smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 10453828 YTSFPVYJPRWUMQ-INIZCTEOSA-N 492.579 0.767 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(-c3ccncc3)noc2=O)CC1 502728336 MVYXCEVVBDHUBA-UHFFFAOYSA-N 454.468 0.303 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)c1 516831636 JYPBENROMVFUDJ-UHFFFAOYSA-N 468.579 0.547 30 20 JCED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 549033062 CTPNZTNLRVDAFI-UHFFFAOYSA-N 483.550 0.866 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1C1CC1 590998719 LLMXWTXUIPJSHI-UHFFFAOYSA-N 457.508 0.638 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC(=O)NC2CCCC2)C1=O 726403829 NOPLFHAYOGHLOR-YZNZPZSRSA-N 481.600 0.329 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCOCC2(C)C)cc1 728409405 AOYGWDFHVSBHSL-HKOYGPOVSA-N 465.576 0.665 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)CC1 728573569 QRKVASPEUBECRF-XMHGGMMESA-N 487.557 0.345 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCS(C)(=O)=O 729674512 ITJLVKCSWUCDFZ-UHFFFAOYSA-N 483.999 0.264 30 20 JCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 731126753 LUUCMHPCBZYJHG-IAGOWNOFSA-N 464.544 0.135 30 20 JCED Cn1ncc2c(N3CCN(C(=O)CCC/N=C4/NS(=O)(=O)c5ccccc54)CC3)ncnc21 818060381 XMRHNJPYFOYCCZ-UHFFFAOYSA-N 468.543 0.531 30 20 JCED CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918261142 OYVMOIUBRXVMLY-XWFHWFJUSA-N 478.619 0.580 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCCC2=O)cc1 918872085 CPOJNYZWOCDNTE-UHFFFAOYSA-N 470.507 0.712 30 20 JCED C[C@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 918875199 LFZXCOVYFPFZOP-HSZRJFAPSA-N 496.480 0.719 30 20 JCED CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 918988736 SQVJJAGCGKSEDZ-KRWDZBQOSA-N 478.571 0.956 30 20 JCED C[C@H](OC[C@@H]1CCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 921094852 INRBGQAAPWCFLI-WMZOPIPTSA-N 465.528 0.518 30 20 JCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1Cl 1135633399 UUMUSIFIDJPREH-DOTOQJQBSA-N 450.948 0.896 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1292126685 SCFUUSYFLDZHJH-YJBOKZPZSA-N 463.608 0.808 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@H]1C 1316126830 NFNPEMIKJCILFX-GOSISDBHSA-N 453.547 0.832 30 20 JCED C[C@H](CC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1446912473 YPAZMSNYWRJLDT-LPMFXHHGSA-N 455.558 0.356 30 20 JCED CC[C@H](C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1496165210 OGBVFRBMEROJFW-IHPCNDPISA-N 494.666 0.518 30 20 JCED C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1509968679 VLSIYULYOCBUCG-OAHLLOKOSA-N 477.616 0.895 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCCC2)CCOCC1 1541116712 UFKUQTDDDDVMBB-MOPGFXCFSA-N 495.650 0.852 30 20 JCED CC1CCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1544521645 TVWRYUMTIAGZGI-PXNSSMCTSA-N 469.587 0.785 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cn[nH]c2)c1 1552879881 CIWBEWFTSBCBAC-QGZVFWFLSA-N 456.532 0.890 30 20 JCED COCC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555417283 KDQDPFKEODSONS-VGSWGCGISA-N 454.535 0.889 30 20 JCED COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1619783045 PDQFZQWPGAPPHX-RDJZCZTQSA-N 451.597 0.882 30 20 JCED C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)N(C)C1CC1 1692732035 XVZKNTIYBMZCDE-QAPCUYQASA-N 451.597 0.834 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1747427356 NVGOHUZXJSEVBO-AEFFLSMTSA-N 499.663 0.028 30 20 JCED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CC1=O 1765487210 DHMXFRNOOBLWNM-UHFFFAOYSA-N 475.575 0.727 30 20 JCED CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1)S(C)(=O)=O 1767003567 ZOLQGOPFXJKGJG-UHFFFAOYSA-N 487.586 0.536 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1777999497 QHKIHOIQXCERFV-QNFHRHJVSA-N 453.584 0.256 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1779473108 JSVHFNXTVJIEHH-FCORRRHLSA-N 465.514 0.622 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCN(C(C)=O)CC4)CCO3)C2)c1 1780174123 NUUVBZVWPPQWHB-DEOSSOPVSA-N 469.542 0.174 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)[C@@H](O)C1 1780334647 YLSFZOBRVBDFOM-TXBYWVTISA-N 473.530 0.558 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)N1CCN(C)CC1 1780638331 HAEOACPRHMSODS-TZBSWOFLSA-N 474.646 0.835 30 20 JCED CO[C@H](C)[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N(C)C(=O)OC(C)(C)C 1781081924 ZXJMQFSDKLTMGN-FXCLAUTBSA-N 467.519 0.175 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4nccn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1781426479 GXJFZWLHIZAEDB-HTAPYJJXSA-N 460.535 0.674 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1781701520 GUBIXPCXLFNXTM-UZUQRXQVSA-N 462.547 0.213 30 20 JCED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1782185622 XAUUUQWSWMAHQS-VWEBPMOJSA-N 472.608 0.587 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1783171464 WOBOZJZQGVZOGP-GIMINZRKSA-N 452.552 0.810 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(Br)cc13)CCO2 1783563089 WBOBOHVHGKAWMD-LJQANCHMSA-N 461.272 0.857 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]3C2)C1 1783682858 YFBFEGYARLAAEN-AVEIZBFRSA-N 464.563 0.744 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)c1ccc(O)cc1 1784018319 OBSYJWNNTDVTQV-LJFZDNNRSA-N 456.543 0.312 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2)NC(=O)OC(C)(C)C 1785306945 QHPHWYIEPSGFAU-WAIKUNEKSA-N 493.561 0.228 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1785517421 IHLNFILXEMUFPO-QMHKHESXSA-N 478.546 0.967 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1)c1ccc(O)cc1 1786891458 DZSWEMNPEQDQCG-NQOGSSOHSA-N 470.570 0.462 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21 1788652732 LORZRQILKVRXMU-AEEOAWSSSA-N 470.530 0.940 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788743458 WQXPLNIIUVWESY-YOBGVURZSA-N 452.552 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(-c4ccccn4)[nH]n3)[C@H]2C1 1788945381 UMHYWIDATBZXAQ-RRXZQZRWSA-N 464.526 0.923 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1789092087 IZLBRHHETRSWDU-NKCWYTJXSA-N 469.523 0.669 30 20 JCED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc([N+](=O)[O-])c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c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)cc1 1798925588 AUSLNWFYKFTNQA-XEMDLRDOSA-N 451.439 0.532 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C(=O)OCC)c1)C2 1799304388 JYOLGBDVDWCVQD-XEMDLRDOSA-N 459.499 0.971 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)C=CC2=O)cc(C(F)(F)F)c1 1801120512 KKLQFHGOAGZHNT-YVWYUNDQSA-N 476.411 0.705 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C)n1)C2 1802126133 CFEYIUOJWREDFZ-ZMMAXQRCSA-N 457.531 0.905 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@@H]1c1cccnc1 1802479126 YGSFTTCSGBYBBZ-BDGDHSELSA-N 464.482 0.748 30 20 JCED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CNC2=O)C3)N(C(=O)OC(C)(C)C)C1 1802504716 CHEAHFFWIXFHRN-YVSFHVDLSA-N 475.546 0.742 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CN4CCNC4=N)[C@@H]3c3cccnc3)c2c1 1812069558 DWWXRBFAAKWLOK-HTAPYJJXSA-N 471.525 0.989 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1819899824 AZPMPTKUETUTRM-PNIXUNKHSA-N 464.504 0.136 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1828884280 PVFXNTOAIFVMDJ-IRXDYDNUSA-N 457.535 0.619 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828968572 VWCRBFCTBBXSEG-SNSUVATLSA-N 466.579 0.786 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1829769511 XAERKKQGYSOJHW-XLQQFJOYSA-N 470.501 0.555 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056073 LREYPZXJYMJRFA-OPAMFIHVSA-N 467.567 0.235 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1830881931 MHWOYIJZCAITLC-CYFREDJKSA-N 479.574 0.882 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831038574 OAZDNIRUAYWSGE-UUOWRZLLSA-N 497.589 0.759 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](S)C(C)C)CCO3)C2)n1 1831491852 HACQQYYXHDJMFV-GCJKJVERSA-N 466.604 0.698 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832004860 QFSVZRZFJDYLLB-XLNZFTOWSA-N 497.589 0.670 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1832446566 BTOCAODQUSWTET-MBSDFSHPSA-N 497.614 0.941 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)c3ccccc3C1=O)CCO2 1832534337 DDCINIMIJHSFKE-RUZDIDTESA-N 467.522 0.933 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1833075515 VGKVHAJDXQZGJV-PLNGDYQASA-N 486.661 0.196 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833207862 YXSNCRDXURCULB-FQEVSTJZSA-N 450.927 0.482 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1833471012 BHGYISCJMZUVIV-UHFFFAOYSA-N 472.590 0.795 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565314 FZDYRHALJNRKOK-LIRRHRJNSA-N 457.574 0.015 30 20 JCED Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1F 1833705367 FTEADJNBPKIFRI-FCKCSMDESA-N 467.498 0.467 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1833864599 JTPRPDDFCPDXBX-CMQXEDBBSA-N 465.507 0.028 30 20 JCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn1 1834530773 PDEMNODXOCPMFN-HSZRJFAPSA-N 477.481 0.617 30 20 JCED O=C(CN1CCCC1=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1834626561 RPPQNSOBMCWDFP-DIVQNALZSA-N 463.579 0.709 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CCOC1 1835346119 RAWXFPSXCXISTB-XZOQPEGZSA-N 478.546 0.430 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1835682699 RMELHGHDAFUZRB-HSZRJFAPSA-N 478.590 0.658 30 20 JCED C[C@@H]1Oc2ccc(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)cc2NC1=O 1836126693 DUHPYZWBUABHOR-HNNXBMFYSA-N 468.510 0.679 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)[nH]n3)CCO2)C1 1836282029 NYZMUXMUXCFJGB-UUOWRZLLSA-N 489.573 0.959 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1836289891 NJVKSIPESFNBNM-DFBJGRDBSA-N 498.584 0.848 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836651393 WBUHIMDSCXWETK-DUOUORMQSA-N 456.543 0.918 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1837430027 GGNWWNGMZIYLHN-JOCHJYFZSA-N 476.654 0.827 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1837440142 DAXROPFWHUDUCG-NHMXVPMISA-N 460.531 0.699 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837532677 FDADWDSHFDPXRB-JHPLOVCFSA-N 469.535 0.561 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837647277 JJMCDONVQKEHCK-ZHRRBRCNSA-N 456.478 0.695 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1 1838349460 MOMYFGKZQQZXEP-HSZRJFAPSA-N 458.515 0.254 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838650612 FUCYPUNLHITYNC-MRXNPFEDSA-N 481.546 0.349 30 20 JCED CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838742445 FPTOSVLOTZKFIG-DEOSSOPVSA-N 465.510 0.972 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1839172488 SYIRNVBVFCTEDL-IBGZPJMESA-N 453.521 0.159 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186539 AJEVBGFVIHSZOE-HSZRJFAPSA-N 471.489 0.752 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839351061 OJRMFQAAYWJENF-VWLOTQADSA-N 469.538 0.554 30 20 JCED COC(=O)c1ccc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)ccc2c1 1839613417 AQBHHFMZTYEPPM-VWLOTQADSA-N 480.473 0.784 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cc1ccncc1)CCO2 1839656243 JKGATQNZIDQUSA-AGYOFZNMSA-N 456.543 0.575 30 20 JCED Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042109 BGBCZXSEKBBRMU-HSZRJFAPSA-N 486.912 0.899 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)CCO2 1840048014 OQVQYSSZKGNFDA-JXDYHWSESA-N 499.630 0.520 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840533223 UIPCTWIBUZOCOA-IEGUWTFLSA-N 467.563 0.949 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(C)C(=O)CC4)C3)C2)c1 1840712646 PALPNEXABOWZSI-BXKMTCNYSA-N 467.526 0.992 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1840729473 NLBOMZHGEGWTNZ-DEOSSOPVSA-N 471.558 0.997 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CC)NC(=O)OC(C)(C)C)CCO2)C1 1840804227 ZSINODXZVGLDNP-PMAPCBKXSA-N 467.563 0.784 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1844240210 YKPJHMUVHKPMRT-GJZGRUSLSA-N 452.552 0.532 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845104168 YBZYBUNWUDGLJD-PRJTXATQSA-N 462.547 0.276 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1845130549 GXLHJLHHLYEGDI-IRXDYDNUSA-N 463.579 0.479 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C 1847806774 SLYQJUKXZQRAFB-XWSJACJDSA-N 478.590 0.988 30 20 JCED CCCCn1c(N)c(N(Cc2ccccc2)C(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)c(=O)[nH]c1=O 10855335 HMLXBEQKCFVXDO-UHFFFAOYSA-N 493.524 0.367 30 20 JCED COCCN(C(=O)CN1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@@H]1CCS(=O)(=O)C1 501121736 NAFHNQNIVHDMLV-LJQANCHMSA-N 471.583 0.891 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O 524281315 QEVITTXCAWZTLW-UHFFFAOYSA-N 467.320 0.324 30 20 JCED CCS(=O)(=O)N1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 748056399 GMIQAEWHXAOURM-MRXNPFEDSA-N 456.590 0.634 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2ccc3c(c2)OCCO3)CC1 748847884 KZIWBGRJYZLGAD-UHFFFAOYSA-N 485.518 0.948 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(C(=O)C(=O)N4CCOCC4)CC3)nc12 798190876 QKKMEUAGPYMOEQ-UHFFFAOYSA-N 497.581 0.327 30 20 JCED NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 811476962 YRWZLYJGUJPVFO-FQEVSTJZSA-N 455.540 0.486 30 20 JCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1=O 906486625 OICUEKRYITXOGX-VLIAUNLRSA-N 469.564 0.854 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CCOC 916198592 QDLFIECFQRIWHR-UHFFFAOYSA-N 455.458 0.841 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 920467554 RPEHDXZIEDJCBF-INIZCTEOSA-N 486.550 0.946 30 20 JCED N#Cc1cn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c(=O)nc1O 1135670578 UEZYHWOBKLBSOE-UHFFFAOYSA-N 453.427 0.022 30 20 JCED N#Cc1ccc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cn1 1203950027 VDTVBSYHWFYCHV-UHFFFAOYSA-N 457.516 0.723 30 20 JCED COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1301716658 MMBJJIQYITUJBW-UHFFFAOYSA-N 461.592 0.867 30 20 JCED O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1436182080 QYTBFBOTZWADHO-HUUCEWRRSA-N 450.517 0.621 30 20 JCED CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1503368649 SNBFUOOVAILQLU-UHFFFAOYSA-N 480.573 0.276 30 20 JCED COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2cc[nH]n2)cc1 1504231914 ZLXKRVRYJINJMS-GOSISDBHSA-N 450.503 0.954 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CCO1 1541074553 MGSUAVGAFTZJMT-FQEVSTJZSA-N 472.571 0.983 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1698316615 ZSMXVGSEWUPBCD-HNNXBMFYSA-N 481.529 0.964 30 20 JCED CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1712757412 OTHJENFMTDADEY-YJBOKZPZSA-N 488.611 0.965 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1730764206 RUOCBWFXEMISMO-ROUUACIJSA-N 452.581 0.805 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1731013657 BVTWKUAZVTUDIQ-LAUBAEHRSA-N 460.560 0.734 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCOC1 1751222456 IVFRAVSSSIOLTQ-HRAATJIYSA-N 475.575 0.238 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1765650266 WWMMXTJSEHSYPM-FQEVSTJZSA-N 496.616 0.708 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(=O)(=O)c2ccccc2)CCOC1 1767482405 IWEZLJICKYJAAD-LAUBAEHRSA-N 476.559 0.637 30 20 JCED N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cc(CO)nn2)CCO1 1771536370 QNOZWNSYJBCVGD-CQSZACIVSA-N 462.312 0.939 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1778087342 KVARSJZGBPPDMM-KDLAUNOPSA-N 487.557 0.948 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1778135931 BKMNVLDYGFGHFX-JXALWOEJSA-N 455.511 0.612 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779022087 YQVZKCBBDBJACZ-FWXZJNEGSA-N 493.605 0.924 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780603535 IBTHNFOSNCGQAR-CDXSOPQDSA-N 478.590 0.140 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO3)c(C#N)c1 1781174145 MYVJCANLSWFNBO-GBXCKJPGSA-N 488.541 0.782 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1)n1cnnn1 1781207329 LVRWUFQLSUFMCJ-JPEVHGAISA-N 463.502 0.810 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781320802 MHBMYMNZTQAKRA-WZONZLPQSA-N 467.563 0.522 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1782194606 KBTGWLHQUQVHHM-XMMPIXPASA-N 465.558 0.516 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)n1cnnn1 1782605606 XDXAYXFRLLZXOV-JPEVHGAISA-N 463.502 0.810 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)N(C(=O)OC(C)(C)C)C1 1783930992 DXASCUXMWBLTGD-YRUKQIKQSA-N 495.573 0.998 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)cc1C#N 1784118910 LDBCWLBXHXLTGI-XMMPIXPASA-N 466.494 0.714 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1784371355 DJVSQILAFHBLJY-OFNKIYASSA-N 450.499 0.472 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784597368 LBGFOTIEHQGMQD-BSRJHKFKSA-N 489.577 0.761 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)cc1C#N 1785193618 CLEPRZBUJWTJSQ-SBUREZEXSA-N 469.498 0.387 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1785608096 UPLCHCTXFJUWEL-KSFYIVLOSA-N 474.518 0.099 30 20 JCED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccn(Cc4ccc(F)cc4)c3=O)[C@H]2C1 1785685527 RSDYQAWZDYSRFA-WDSOQIARSA-N 453.474 0.938 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21)c1cc2n(n1)CCNC2=O 1786258282 PAOKHPNACPPOKB-MDKPJZGXSA-N 481.940 0.925 30 20 JCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)C[C@@H]32)CC1 1786697869 CRKZEGWXWURTMR-YFNVTMOMSA-N 452.555 0.905 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786706374 SSJDKQSTNYZZOJ-NXOAAHMSSA-N 466.535 0.726 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1788655363 DUJARNKVZYGENL-OYMJOVIXSA-N 473.530 0.320 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1788706258 SAQTWULOGHESQZ-FJXLLPKBSA-N 451.487 0.088 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789917967 SFWWYDZCGWQRRR-KJJMTIBFSA-N 489.569 0.846 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791077669 CHIXCJISAZRALD-QAETUUGQSA-N 461.515 0.311 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1793348924 QTKMJSGGJLCPFA-NHKMSHSESA-N 485.585 0.594 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CNC2=O)cc1C#N 1793763206 JUCBMARULPZUFI-UPHUGPLXSA-N 469.498 0.100 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCNC(=O)c2ccc[nH]2)ccc1F 1794037720 ZBEDNEORYWVJLB-FEJSZKPUSA-N 467.501 0.978 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSC(=N)N)N(C(=O)OC(C)(C)C)C1 1795508230 SPKMTFZTDJKCGR-IVSAIRAKSA-N 467.592 0.768 30 20 JCED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cn3c(nc1=O)SCC3)C2 1796044394 VFSGYWLZVQNRFO-BJWYYQGGSA-N 458.588 0.812 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1796393080 NGNWAUCATGNQBT-DDUXKKIFSA-N 498.577 0.645 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](COC(C)=O)OC(C)=O)c(O)n1 1797784813 JXWPPROREWJAHN-HRQSHJORSA-N 489.525 0.604 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797810912 BJFJHSMWKCTYHQ-LKVCOOBVSA-N 498.577 0.645 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1799302964 WIHXAXRQFPPJHE-CWPLJXCYSA-N 479.555 0.339 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc(C)c(O)nc2=O)C3)c1 1799802632 DYXHCLIEIKBWEM-OPVJXMOQSA-N 451.483 0.341 30 20 JCED CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3(O)CCCCC3)C4)cc2C1 1800128035 KLDAKAHKSPNDHI-BBIADKPPSA-N 469.586 0.620 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C 1800351749 MYYKNPOYAYHFRO-UJHHCITNSA-N 486.635 0.656 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1800710823 WFKMJDIBYVVHAI-HGTKMLMNSA-N 468.576 0.660 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1cccnc1 1800773873 LCNIIQYPCSXZMH-JSJNYSNDSA-N 472.498 0.325 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1802024805 YBWBFOZRHFFHSU-QWCYLASJSA-N 469.538 0.761 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1802062051 QJWWZNILKGHKNP-PQTWGXLHSA-N 469.494 0.485 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)c1ccccn1)C2 1802127786 RVPIQSLYBUNGEG-LWASTNQWSA-N 471.558 0.588 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@H]1c1cccnc1 1805167744 GCXWNOONBKQFRD-HOYKHHGWSA-N 490.520 0.211 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)cc1 1807945770 HFBRSEBSKKHBJY-YLJYHZDGSA-N 469.465 0.713 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808257287 SQVDNXJHNLVCLI-LVCYWYKZSA-N 486.525 0.811 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)C1 1809773080 XEWXSINMZUUGQC-UHFFFAOYSA-N 476.603 0.965 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1810389905 HXZWZCCAHROHJS-SYYRGCCSSA-N 475.469 0.239 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3CCS(=O)(=O)CC3)n[nH]2)c1 1815673223 SIDCLTMRINTQRU-KRWDZBQOSA-N 459.532 0.646 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C(C)(C)NCCC#N)CC3)CC1 1818893667 HUTXODFMOANKAS-MRXNPFEDSA-N 475.619 0.501 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccno1)CCN2C(=O)OCc1ccccc1 1828709246 AKSSPAWOPRIGAM-HSZRJFAPSA-N 466.450 0.828 30 20 JCED CN[C@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1)C(=O)O 1828990938 ZZQMCCOIQICOMN-QFQXNSOFSA-N 496.564 0.915 30 20 JCED Cc1nn[nH]c1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829031496 UEQBRKSEUUIREL-QHCPKHFHSA-N 480.481 0.267 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)cc3)C2)C1 1829773900 YVQKGAXYJQRPID-XXXZYALBSA-N 470.526 0.573 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccccc1OC)CCO2 1830988121 WSJYZJQSXAAUJM-ZVDPHFIASA-N 471.554 0.943 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1831426333 KMFYLYPKVUDYSM-JPYJTQIMSA-N 462.547 0.334 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487852 KFSHQDZLWUJEJZ-ZOFUBUOUSA-N 468.595 0.422 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CCO2 1832038950 MWVXDXSEMSDJLX-HMLKYZKVSA-N 494.589 0.605 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251272 NSXIGADJNPRVPW-JZHPBVHJSA-N 482.431 0.270 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)CC2=O)c1 1834753677 PMIOMCYWVUIHEQ-SBUREZEXSA-N 456.499 0.418 30 20 JCED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)n1 1836065866 CMDPRQIPEHKRRM-QHCPKHFHSA-N 453.499 0.881 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836725821 FSMNILRGJHKHHN-HOYKHHGWSA-N 493.557 0.711 30 20 JCED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)cc1 1837076775 RKUKWFKXZMKAHG-UHFFFAOYSA-N 453.499 0.722 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1837393116 KIGVWVMPCIRPMR-KKSFZXQISA-N 452.577 0.809 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1837405083 GNHYUXXDNXLCLQ-FNZWTVRRSA-N 497.548 0.759 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837488552 JVEOHOLZAIFDSX-XMMPIXPASA-N 457.527 0.615 30 20 JCED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c(O)n1 1837490391 BVWDIPLHUJAHQZ-DEOSSOPVSA-N 457.527 0.864 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2)c1cccs1 1838635501 KCMOTLUCEWAZPY-SHTLVRLNSA-N 458.496 0.341 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838952850 KOVVPFPGZBNNKP-FDDCHVKYSA-N 474.514 0.471 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(O)cn4)C3)C2)c(C#N)c1 1839133509 UGBHKTIMIGEZHV-RUZDIDTESA-N 480.521 0.909 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839209075 MSRFODKMUAOAFW-STSQHVNTSA-N 485.578 0.310 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1839226721 VPJIORPMHQROAX-QKKBWIMNSA-N 451.476 0.674 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnn6ncccc56)C4)C3)c2c1 1839487737 FWKSUECHFHHADJ-XMMPIXPASA-N 486.492 0.861 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1)C(F)(F)F 1839891518 JTNLDTODHITSGE-IBGZPJMESA-N 458.437 0.710 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839891710 SZBCRFVWGQTWDX-QRWLVFNGSA-N 495.495 0.837 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)nc3F)C2)C1 1840041171 WLBVBQYJJGDXMG-GOSISDBHSA-N 470.251 0.141 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)CCO2 1840076107 SJYAVHAWPVNTMU-YLHGCELOSA-N 477.558 0.491 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2)C1 1840167990 ZSLKCLLSIHENGN-FDDCHVKYSA-N 467.563 0.786 30 20 JCED C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840424343 JCEOKKPYXWEGJI-JPYJTQIMSA-N 459.547 0.587 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCOC3)CCO2)C1 1840540310 UIPCTWIBUZOCOA-YZZKKUAISA-N 467.563 0.949 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)cc1C#N 1840764091 IOJLAMHWQMZQCT-DFBJGRDBSA-N 484.553 0.942 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1F 1840771627 ILYOZXALRXQLDY-JOCHJYFZSA-N 464.515 0.713 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)s1 1840819220 WSZGOZPGTRPYMN-QFIPXVFZSA-N 471.539 0.796 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1840913077 WYVWYOUVFJBNPG-UYGGWCPKSA-N 479.574 0.683 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 16230784 ZBURKDLFKMYXCM-UHFFFAOYSA-N 492.535 0.653 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1nc2ccccc2c(=O)[nH]1 21580320 ZMHCXSOIQRCOJC-UHFFFAOYSA-N 480.550 0.760 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 483115834 HZRAUIUDUYBTIR-AEFFLSMTSA-N 486.510 0.334 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 515654833 CIGHUPHIVXDKHF-UHFFFAOYSA-N 475.552 0.017 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cccc([N+](=O)[O-])c3)c2=O)CC1 516371942 DFZHOSXHVMXDRK-UHFFFAOYSA-N 453.524 0.866 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc(F)c3F)c2=O)cn1 518067001 JLQIPSYKXDZMMR-UHFFFAOYSA-N 484.484 0.943 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C#N)c(Cl)c1 522541437 JBEXKMCOSHYTKI-UHFFFAOYSA-N 482.953 0.813 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccnc1 609038682 VFULAHFSAXZAGB-UHFFFAOYSA-N 466.567 0.327 30 20 JCED COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)C1 609342082 MRESNJKQKKPNHC-MRXNPFEDSA-N 491.570 0.303 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCS(C)(=O)=O 729670931 BTCZNVCFRYRQFM-UHFFFAOYSA-N 453.973 0.635 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 729672767 HNXGGJFRTZVLDS-UHFFFAOYSA-N 495.586 0.193 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 750096967 VUFCEMTWYHMRDI-KRWDZBQOSA-N 484.534 0.753 30 20 JCED C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2O)CC1 831243935 QZZFNEMQGOLXDQ-OAHLLOKOSA-N 472.523 0.711 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(Cc2ccccc2)c1=O 917356786 QVICMQHSKNYIIG-UHFFFAOYSA-N 463.563 0.670 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C(C)(C)C)c3)c(=O)n2CCOC)CC1 917768730 JSEWZASDQMOEIQ-UHFFFAOYSA-N 472.615 0.175 30 20 JCED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1=O 1301859282 BCTMJESYVZMHRP-AEFFLSMTSA-N 451.531 0.979 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2cccs2)C1 1302480806 VEAAGDLNRNFGPG-IFXJQAMLSA-N 497.578 0.544 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CCO1 1503771887 KNUHTMUUWDOTIX-UXHICEINSA-N 453.547 0.615 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1617388156 ZYYDNSLVRLAVMX-GOSISDBHSA-N 457.560 0.957 30 20 JCED CN(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1768522527 NRHOWYBMIJQZOT-IBGZPJMESA-N 487.586 0.855 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1769361167 UMULLXMZJBPMJT-FQEVSTJZSA-N 461.523 0.912 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1769380169 NKCAIJXSZLTMOO-HNNXBMFYSA-N 461.548 0.335 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)CC2)CC1 1778319949 ILAYVJGLGRCUBY-HXOBKFHXSA-N 466.648 0.858 30 20 JCED C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778361164 CDTOGLSTMRAUAM-ICPLQIHGSA-N 463.531 0.940 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778846703 NYTXATSLIKIHSK-QRQCRPRQSA-N 477.566 0.619 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1778878686 KCQGCDOLNXEZSU-BXKMTCNYSA-N 484.557 0.032 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779096556 KSFPJBOHPUFKEW-VAXXYWNWSA-N 496.605 0.326 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779323876 UFUOWVDPKBLLLG-QYFSRIFYSA-N 467.567 0.737 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1)[C@H]1SC(=N)NC1=O 1780179640 GWKPSUBQCBLFEH-MVZRQPAWSA-N 458.544 0.816 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780923627 DGSGHDFHBWIBFS-NPMXOYFQSA-N 490.582 0.262 30 20 JCED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781132865 XZPMRXRMTDPFQT-DYESRHJHSA-N 497.957 0.927 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781838404 DWDJLALOBBIWKM-ZJSXRUAMSA-N 481.710 0.838 30 20 JCED CC#C[C@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2)c1ccc(O)cc1 1782259412 NKOAKSCLINHTKG-INGGGZDUSA-N 484.597 0.996 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)CCO2)C1 1783900019 JDNWRLKIYHGMBU-VFNWGFHPSA-N 470.592 0.214 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)NCc3ccccc3)[C@H]2C1 1784053686 XVTNZVCMDBNZPQ-WLTICRFGSA-N 480.565 0.697 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21 1784482853 HLUZXITWSCRKGL-LNZVGPJGSA-N 451.523 0.914 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1785577510 XURKPICHJAUMGT-UUOWRZLLSA-N 487.557 0.861 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1785684719 MFXUHZAXNZJEFK-WIPAFHOISA-N 488.566 0.932 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786701954 JCSINTNILFRPMO-XSLAGTTESA-N 450.536 0.906 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1786791172 BFFLFFDATQSZGH-NKCWYTJXSA-N 471.472 0.192 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857792 DUTRDYSKHAKGGR-OKYOBFRVSA-N 495.621 0.788 30 20 JCED Cc1cnc2c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]4C3)cnn2c1 1786859173 SHYPDDJRZJEQHB-WDSOQIARSA-N 453.547 0.913 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5c4CS(=O)(=O)C5)[C@H]3C2)c1 1787152468 SBKCQQNAWNUULY-RFUYNDQBSA-N 487.513 0.756 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1788603990 HJVFDLUPKFXULZ-VLISIZIXSA-N 488.614 0.343 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21 1788639683 RTAQYQXUNGGRAX-QESAQDPVSA-N 471.510 0.955 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789842120 XZWLSTBJDUMFEB-LDBRAYGESA-N 474.514 0.154 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)C2 1792490374 PSUKXQYMQOUKBT-PMJRAEDJSA-N 481.475 0.591 30 20 JCED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1792631442 KTCKZPVJJHQLEP-HGKCTWBKSA-N 467.530 0.319 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794111059 CHMYBQMFARNYNM-ZTENYAIWSA-N 474.514 0.092 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nn1)C(C)(C)S 1794567513 JAWXHJAAXBTKCU-DLTLXFJOSA-N 495.602 0.987 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COC(=O)C(F)(F)F)c(C#N)c1 1797655175 CVTXYUYJJNQRSE-CCWDJLKJSA-N 469.416 0.804 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O)c1ccccc1 1797967470 CJARHDHWGRWSRB-PFDCGNQRSA-N 455.555 0.924 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1799248273 UZASMXBSJAWACR-LFYQSXPISA-N 473.592 0.741 30 20 JCED Cn1c(=O)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)c2ccccc21 1799882321 GCKFGMUGQJGVJG-GPVSGQMNSA-N 499.531 0.991 30 20 JCED O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1800281424 JOWBLODEZOBDSE-OPMZPASUSA-N 450.451 0.398 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)CC 1800479305 XWODWSJNXLCCPH-DFGXFYAUSA-N 496.561 0.361 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)c1 1802105321 LXQPMOSVPIUGRO-CCWDJLKJSA-N 474.564 0.630 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1802124418 AHGLPIDHAPJCHE-UJHHCITNSA-N 450.536 0.004 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1802491374 ZQGLCZWWGFJQFT-YRYWAHFMSA-N 450.499 0.203 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1803605198 UPDNRYNREVGSJP-HOJAQTOUSA-N 468.645 0.772 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[C@@H]1c1cccnc1 1809451594 BQOUDELDFSHMTK-YWZLYKJASA-N 485.460 0.373 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1817056330 AOAWFAZNZWRVCB-GXTWGEPZSA-N 478.527 0.779 30 20 JCED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)CC2 1825022642 MVZIRINVVPFEJC-NSHDSACASA-N 457.537 0.543 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665695 WCJQIKHOCGDYFQ-JQWIXIFHSA-N 452.489 0.029 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)cc1 1829632640 ZUHNQGQXDDCSEL-HSZRJFAPSA-N 467.530 0.280 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCN(C)CC4)cc3)CCO2)C1 1829696863 LFNWRWPJRXLGAJ-JPYJTQIMSA-N 462.616 0.827 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)Oc3ccc(C)cn3)C2)C1 1829769545 ZDKQBDQZJHOTQO-XMYAASDLSA-N 486.569 0.862 30 20 JCED O=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CCN1 1830470068 PBGIHRKJXHHEJH-MBSDFSHPSA-N 459.930 0.674 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)C1 1831215446 NJSXZCARFLEITJ-VWLOTQADSA-N 494.552 0.049 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(COC)CC1)CCO2 1831386029 OQCFMRRCJBSHAS-HOYKHHGWSA-N 479.574 0.786 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1831425377 CSDLJEVNPCFJOP-VSDWSMLSSA-N 459.499 0.769 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1831998949 VGQLHYAIZKJQDQ-KOSHJBKYSA-N 494.589 0.535 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1)c1ccccc1 1832329359 QZEYPNRYDHCQFW-CJFMBICVSA-N 482.537 0.192 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1832446817 HITBNWCSZIRIOA-WZONZLPQSA-N 499.630 0.998 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)ccc1F 1833276637 XUJSGSVYWQFTRC-QHCPKHFHSA-N 454.458 0.643 30 20 JCED C=CCCc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CN4CCNC4=N)CC3)CC2)c(O)n1 1834028721 WSIVHMMPFFDGNI-UHFFFAOYSA-N 483.617 0.931 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C[C@H](N)c3cccnc3)CC2)CC1 1834761830 NSIOJMCKXRCEHF-LXHZQTKUSA-N 468.602 0.902 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CN)CCO2)C1 1835529557 YEJIVBVJBIPDHE-KHCICDEESA-N 480.606 0.734 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836111255 MNMHVVHQSBIHLN-KKSFZXQISA-N 450.561 0.598 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cc(C)cnc13)CCO2 1836949540 NMRPVBFSEVRWLO-HSZRJFAPSA-N 471.514 0.617 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3c4c(c(F)c(F)cc4c1=O)OC[C@@H]3C)CCO2 1837140831 HJRGEQMKCCGDIK-LFPIHBKWSA-N 487.459 0.936 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1837400361 DFQZUWZAETXMQR-HOYKHHGWSA-N 499.605 0.557 30 20 JCED Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837533312 OFSCINHVTXCHAN-RKACSRGYSA-N 463.535 0.738 30 20 JCED O=C1NCc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)ccc21 1837564216 CULDLUASBSIQIK-RCHKNJNJSA-N 466.494 0.712 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1)c1ccccc1 1837612319 CEBAFJRSMLJHDA-BKSPAHHJSA-N 453.539 0.919 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)cn1)CCO2 1837830711 NFKXGNUTALICSM-SFHVURJKSA-N 452.261 0.002 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncoc3C)CCO2)C1 1838209741 XOXWIUXWKPOAGL-GAJHUEQPSA-N 476.530 0.970 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838404579 GHLTWIQUCKCEQU-RUZDIDTESA-N 486.569 0.586 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838492346 JWLZPFIMTRUJMI-DEOSSOPVSA-N 497.556 0.792 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1Cl 1838600236 VPJVDFHKTABTNL-OYHNWAKOSA-N 460.918 0.808 30 20 JCED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c(O)n1 1838671487 KRZNBAAUERLYFD-VFJYRVFXSA-N 462.503 0.695 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1838953132 PNBPZVUJQFIBOG-IBGZPJMESA-N 454.405 0.307 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOCCOCCOCCOC)CCO2 1839220343 IMLPJEZRFUHCCN-JOCHJYFZSA-N 458.552 0.105 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCC(F)(F)F)c(F)c1)CCO2 1839244028 ZMBHWUWDTNNCGK-HXUWFJFHSA-N 488.390 0.925 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CCC4(CC2)OCCO4)CCO3)c1 1839774017 ZNTMWARGCWRSBN-QFIPXVFZSA-N 458.515 0.890 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc4ccccc4c3)C2)C1 1840040100 NWZBOGBBYJDTBC-DEOSSOPVSA-N 451.479 0.712 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)c(C#N)c1 1840180903 JKZCRWPHWOQTSY-ZEQRLZLVSA-N 489.525 0.182 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840571906 WNJHQUIHGPDANZ-CJFMBICVSA-N 492.617 0.701 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)c1 1840713110 FFVWJGDQAKWOBT-CRICUBBOSA-N 492.536 0.637 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845582067 LHHDOYGZNSKINL-SFHVURJKSA-N 453.455 0.746 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194889 BIBXQQGTYPBVRF-KRWDZBQOSA-N 456.499 0.809 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1847806585 WZGGZEXLONVJME-KBMXLJTQSA-N 458.540 0.081 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2)c1=O 480151099 GIUPUEVCDDZBES-UHFFFAOYSA-N 458.559 0.800 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)cc2)c1=O 514307086 RIMPCLDUHUCHEV-UHFFFAOYSA-N 484.622 0.596 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)cc1F 524281329 QTJRAXVEDUZVOW-UHFFFAOYSA-N 481.461 0.657 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608829016 WLXOSZBEAIZBCL-UHFFFAOYSA-N 483.575 0.030 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 728038939 BOPIABYXUPCZDE-LLVKDONJSA-N 455.458 0.628 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 729672961 ALYKFVDETXHWMA-UHFFFAOYSA-N 491.591 0.016 30 20 JCED COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 729880775 HYJFVUKDFICVMD-PYCFMQQDSA-N 453.565 0.475 30 20 JCED CCOC(=O)N1CCC(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 749019910 FBIDJMOSOWDSJM-UHFFFAOYSA-N 452.489 0.117 30 20 JCED C[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1sc2c(c1C#N)CCC2 857837998 VRIZCRQGKWVNGM-LLVKDONJSA-N 470.511 0.816 30 20 JCED COC(=O)C1CCN(C(=O)[C@@H](OC(=O)CNS(=O)(=O)c2ccccc2C#N)C(C)C)CC1 913174178 YAEJXYSISKFDRQ-IBGZPJMESA-N 465.528 0.816 30 20 JCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN(S(N)(=O)=O)CC1)CCCC2 915217033 VPQIGVQDUWIFJC-OAHLLOKOSA-N 450.565 0.177 30 20 JCED Cn1c(=O)c2c(ncn2CCOC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)n(C)c1=O 920838421 ATHVDVHGLCCYFO-UHFFFAOYSA-N 492.452 0.976 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1298097015 KEFNSDCUVDRNHB-IBGZPJMESA-N 473.603 0.867 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1298097250 LJQIHLLFLIIEKM-KRWDZBQOSA-N 473.559 0.541 30 20 JCED CN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)CC(F)(F)F 1314864320 QFOKVELRBQHFCY-OAHLLOKOSA-N 479.529 0.845 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1315067403 SFQBSDNDWWLMEV-INIZCTEOSA-N 476.538 0.116 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)C1 1359151735 ZSZZBXWFJRULHT-OAHLLOKOSA-N 460.988 0.668 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1503773705 VKDYXEQFXWKBFU-SJLPKXTDSA-N 458.544 0.593 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C 1504911470 UXSHJDLWNQGLAD-HTAPYJJXSA-N 474.587 0.523 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCCCC2)C1 1620171058 RMGCHJVLWDIQFB-YLJYHZDGSA-N 469.587 0.929 30 20 JCED CC(C)N1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1692489153 SFHPUYLEBUUHCW-OTWHNJEPSA-N 481.623 0.460 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1692788193 YSWANICIUQOVFS-XWFZLUIHSA-N 491.593 0.945 30 20 JCED CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1711213156 XWJZXTXASFUEDO-LSDHHAIUSA-N 454.553 0.776 30 20 JCED CC1(C)COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1724032915 UOBUFAJRYBOMTE-JXFKEZNVSA-N 485.586 0.164 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CCO1 1748223886 XVXRRCZGBYEBRZ-PIJWYQRNSA-N 472.571 0.981 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCS(=O)(=O)N2CCSCC2)cc1 1771534757 NOFFVQMFAYIOFQ-UHFFFAOYSA-N 491.599 0.044 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019163 MWOSTQAZSPYFRR-LPFFWNTMSA-N 481.594 0.564 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)(C)O 1779021276 GGUPQFYJTLIXBO-FWXZJNEGSA-N 495.621 0.952 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1779175126 GFCXUANRRKKBBY-BVZFJXPGSA-N 476.537 0.929 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780037761 KLGQYWXWXPDQKE-JTUHZDRVSA-N 453.499 0.255 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(N)=O)C2 1780684106 WTAUZUZDULXQAD-QZTZHPFYSA-N 493.605 0.865 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(F)c(C#N)c2)C1 1780756028 ZNVUUPIEDVHWAU-QMHWCDLVSA-N 476.505 0.818 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)ccc1F 1781301320 WCPKKFSWAGWOTN-DEOSSOPVSA-N 476.468 0.786 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C3)c1 1782972864 IOONDDPCRJVJQY-SWWFSWNPSA-N 470.526 0.984 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1783054712 JXWANNWMUBBVEY-ZHRRBRCNSA-N 450.536 0.211 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCS(=O)(=O)CC4)CCO3)C2)c1 1785076987 MIECNVLWWNVDKA-WZONZLPQSA-N 474.583 0.488 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785724616 NBXYPZONPOFQAN-PNCHPQGNSA-N 465.547 0.491 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)[C@H](O)C1 1786693473 ZYNOMZYPILMFKQ-APAFKAMOSA-N 476.574 0.888 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N(C)C(C)=O)[C@H]2C1 1787518713 KXIHQFRDGMCUIB-HTDHLNIYSA-N 478.590 0.750 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788659316 XUZLQWAYZFKNFD-LBGWLJEBSA-N 453.540 0.203 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1788661179 DWRQDENZANOERZ-BGJZVANESA-N 464.441 0.174 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1c(O)cc(O)cc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c1cccc(N3CCCNC(=O)C3)n1)C2 1793258711 OOCIJODSXQIXJR-FEJSZKPUSA-N 451.527 0.025 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)c1 1794112329 QCNYMIMBYVLVPQ-RACNMONISA-N 493.520 0.776 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C1 1795517899 AZTYWEHAVHHJGW-FCGDIQPGSA-N 492.621 0.699 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCSC(=N)N 1795589256 JIYPKHGSCFWEHF-IVSAIRAKSA-N 467.592 0.509 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)n2)c(C(F)(F)F)n1 1796355159 XTFRGHHHAKQODZ-KEODLESXSA-N 478.387 0.690 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1797707069 CYVKPELNRWVSDS-HRQSHJORSA-N 458.559 0.695 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)N2CCOCC2)ccc1Br 1797810543 WFJJBODCFYULQX-VWFIUDSGSA-N 493.358 0.175 30 20 JCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)nc2nccn12 1799988789 VYFQUUXNXVDDPD-PXLRATQFSA-N 456.503 0.770 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)cc1C#N 1801846715 SRWNGYQGRCVYIN-AXVVYFOYSA-N 469.498 0.147 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1CCC3)C2 1802128111 OFLMFOGSXBMDKY-YNVMFWSZSA-N 471.558 0.949 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCCC1 1802192786 QAZODTJDPVOOMO-RCLSDMTESA-N 462.591 0.979 30 20 JCED O=C(NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1)c1n[nH]c2c1CS(=O)(=O)C2 1807737670 LRWQQDYVNTXILO-IERDGZPVSA-N 453.524 0.966 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810566206 QFSZLRKJPOVWCA-IUUXNMOKSA-N 455.515 0.951 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1812717403 RIDOWWVPFDDJDD-LADGPHEKSA-N 465.554 0.754 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826318885 URKQXPFGRJIPER-AWEZNQCLSA-N 456.524 0.679 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CC(=O)NC)CCN2C(=O)OCc2ccccc2)C1 1828575018 GUYYDASVPDEMMM-DFBJGRDBSA-N 484.553 0.613 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCN2C(=O)OCc1ccccc1 1828635019 XLFZTSJNPBIJNC-VWLOTQADSA-N 493.520 0.882 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)n1)CCN2C(=O)OCc1ccccc1 1829050079 MQLFBLUCXIUAGS-HSZRJFAPSA-N 465.466 0.587 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1829765059 FMQJETZRRNNVJO-HMLKYZKVSA-N 457.527 0.518 30 20 JCED CC(C)N(CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C(=O)OC(C)(C)C 1829981282 HPHKBGRLYVYCDK-QFIPXVFZSA-N 467.519 0.176 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)CCO2 1830957642 NFFQYTPHEMRIID-HSZRJFAPSA-N 459.547 0.734 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1830999156 ZIUOSHYOBQSNLK-YGKZAACZSA-N 479.530 0.224 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1831421211 GSRKGCIMQTXMLH-KSFYIVLOSA-N 464.519 0.823 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](S)C(C)C)CCO2)C1 1831486287 AUWAYGQJBKKLLP-HYFFOGBASA-N 489.635 0.937 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831697210 RBKWKGDSZLOYAB-DEOSSOPVSA-N 456.543 0.985 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(F)nc3)CCO2)C1 1832831747 PJICIUQXKHFSDN-QHCPKHFHSA-N 461.538 0.892 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CC2)CC1 1833469433 WGYHWLGPNJBWBH-VGOFRKELSA-N 472.590 0.067 30 20 JCED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)cccc1=O 1833874366 FOOUMLJCHOLNMI-QHCPKHFHSA-N 454.458 0.780 30 20 JCED COc1cnc(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)cn1 1834714828 VBBNUCSGXAAXFP-UHFFFAOYSA-N 457.579 0.952 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835672956 ONAFOHCDCWFDPU-QHCPKHFHSA-N 472.546 0.392 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1835732189 HDCJHRYHHWXUCY-MFKUBSTISA-N 483.577 0.075 30 20 JCED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1)C(=O)O 1835766642 SJZCXSHNYFMSLS-HFXUHXBXSA-N 458.515 0.446 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1836376626 FZIWGVGXXACRPA-UHFFFAOYSA-N 489.661 0.847 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837318042 JGUUYRSQUORZFC-ACJLOTCBSA-N 452.426 0.121 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1837403176 IJWDXLXRETURFD-UUOWRZLLSA-N 470.526 0.979 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1837524283 DVADEVJZOKFELZ-MEEJOMPNSA-N 467.910 0.729 30 20 JCED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c(=O)[nH]c1C 1837561333 HSWWXVMDSRZTOI-CSOJOJLQSA-N 457.487 0.169 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837822712 JYHWPCRVLOHWRT-UUOWRZLLSA-N 488.541 0.774 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838031101 XWYUOHIKMUZMMB-XQQSMPNESA-N 453.446 0.207 30 20 JCED Nc1n[nH]c(CCC(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)n1 1838368192 XOLNSQFYTBNQMJ-LFVJCYFKSA-N 460.583 0.790 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)cn2[nH]cnc(=O)c12 1838470971 CIKSJHPHBMZVIT-DEOSSOPVSA-N 476.493 0.587 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Cn4cncn4)C3)C2)c1 1838582297 JOTFZFHYNSHBPW-GAJHUEQPSA-N 468.514 0.565 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c1 1838907803 OIFOEGWXEPCZJX-DEOSSOPVSA-N 474.477 0.345 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1839130715 PBUDUZDTAWGCCB-IECBHUPTSA-N 481.590 0.911 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839185159 PHSNJQBBIPMPIZ-JXQFQVJHSA-N 478.590 0.830 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1839224676 NCKBTUWACDHHRR-IIBYNOLFSA-N 450.492 0.267 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839435428 YBAIFLMQXOXKHL-POUSAUBHSA-N 480.525 0.196 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn4c2OCCC4)CCO3)ccc1F 1839517945 AUUTZSCWSBGKNX-DEOSSOPVSA-N 483.500 0.989 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1839553081 ACZQJTVYMVVNRN-FUMRIQNTSA-N 471.489 0.402 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1839668050 XKICMNCPWBTOEL-BVZFJXPGSA-N 477.521 0.842 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)[S@@](=O)c1ccccc1)CCO2 1839671101 PFVNCYXFPQERRM-WMXUKUHRSA-N 462.568 0.677 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2)c1cccs1 1839781982 KQSOARMTLBYLMG-ABGJEJFVSA-N 482.580 0.521 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839867362 JPDAQLMQBGODTJ-HKARXFIJSA-N 480.562 0.048 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839880736 ZMVQXDGLXAQBSJ-RCDICMHDSA-N 454.487 0.029 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)CCO2)C1 1840018282 DUZNSHGMXMNZTG-DIPHDFDASA-N 499.630 0.643 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1840167338 JZDAQZFWGMVAFU-JPYJTQIMSA-N 466.579 0.488 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)C1 1840172902 OUXQXAMAYXCZHO-HSZRJFAPSA-N 470.530 0.212 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1)c1ccc(O)cc1 1840219747 BIACINUOPBYGRV-CYFREDJKSA-N 467.526 0.788 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1)c1ccc(O)cc1 1840220253 FFDBIFRHSNHVRT-GBXCKJPGSA-N 492.594 0.780 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840316427 UQWDMDOSMCXWJM-RTCDDDCJSA-N 477.945 0.688 30 20 JCED C[C@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840331784 FXXZHOMOECDYDJ-DVECYGJZSA-N 457.575 0.998 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840482934 IFDKXZMVUDWONT-DEOSSOPVSA-N 457.527 0.363 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1840818559 JFMMFEGYHSBBQM-RUZDIDTESA-N 490.520 0.838 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccc1)CCO2 1840900108 IVHQHTXISFOGOF-RCAXOHPUSA-N 484.553 0.120 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COCCOC)C2 1844215446 GZRAVJGAYHNELC-QGZVFWFLSA-N 498.577 0.658 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1845130696 XAGACGPMRXRJFA-INIZCTEOSA-N 497.556 0.931 30 20 JCED N#Cc1cccnc1NCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 108134191 ZTWUVYFSZFHJNP-UHFFFAOYSA-N 470.555 0.795 30 20 JCED N#Cc1cnc2ccccc2c1N1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 500601166 MFEMUZBIPLSQJH-FQEVSTJZSA-N 482.610 0.560 30 20 JCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 518674778 LBHHHCMWUZTZIO-UHFFFAOYSA-N 458.280 0.894 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(F)cc3F)c2=O)CC1 518716429 YNSSHFZIZJRRPB-UHFFFAOYSA-N 474.533 0.817 30 20 JCED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 521742781 RNLUTKVVANLRDR-QGZVFWFLSA-N 459.572 0.880 30 20 JCED Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1S(=O)(=O)NCC#N 521751658 ATIGSCTWIMHQDJ-UHFFFAOYSA-N 462.553 0.944 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2C2CC2)CC1 590998192 IXBNQBUVUAVEFK-UHFFFAOYSA-N 453.524 0.820 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(CC(C)C)c1=O 603795731 HHKBYRMXHAEWBM-UHFFFAOYSA-N 470.595 0.526 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cc1 603795849 LMBBCDHBQRNDQX-UHFFFAOYSA-N 455.536 0.714 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1F 603801532 YIQHJTIVVWXALE-UHFFFAOYSA-N 497.527 0.524 30 20 JCED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCO3)c1=O 603997268 AWXMWPHGLFAUKU-UHFFFAOYSA-N 473.576 0.753 30 20 JCED C[C@H](c1cccs1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccncc2)c1=O 608829575 AWZCSIZWUZWVDJ-QGZVFWFLSA-N 495.630 0.927 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 726042686 MBZCRLUZTSQPPD-URNNUDQISA-N 460.487 0.690 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2/S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO2)cc1 726404321 VYLFBASOSQDEFK-SPWJVWQPSA-N 466.585 0.982 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1cc(OC)ccc1OC 726577410 LMTFKNSKPYMNLN-UHFFFAOYSA-N 497.577 0.532 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cccc(C(N)=O)c2)cc1 726727184 UWSNXHKGUBCUND-LGUFXXKBSA-N 471.539 0.896 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3ncccc3c2)c1=O 729673204 IFFCNYUBRATAFF-UHFFFAOYSA-N 482.587 0.628 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)c(OC)c2Cl)c1=O 730440167 LZXKGZMQOUBPQB-ZDUSSCGKSA-N 495.985 0.881 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccccc2[N+](=O)[O-])CC1 747803335 FTYFMIXCPVZAGU-UHFFFAOYSA-N 488.478 0.922 30 20 JCED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 753661497 BKDHFHGSCAAUGU-CYBMUJFWSA-N 452.876 0.859 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCN(c2ccccc2O)CC1 853665853 DOMHVYAMGJDMQO-MRXNPFEDSA-N 472.523 0.823 30 20 JCED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1504885265 WGTFGPLIPBZITE-INIZCTEOSA-N 453.569 0.162 30 20 JCED CC1(C)CCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1510305574 LLWOCUCWODQZMM-YRNRMSPPSA-N 468.580 0.281 30 20 JCED COCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1555303108 STFAPVDKNTVUDR-HOTGVXAUSA-N 454.553 0.156 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCCCCC2)C1 1555813360 NNSHIJAZEWXASN-LAUBAEHRSA-N 497.597 0.846 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1593807378 KERAJBRFUZUXDL-UONOGXRCSA-N 469.033 0.749 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1633446988 UMZFAGNMAWTHLQ-LPHOPBHVSA-N 455.540 0.689 30 20 JCED CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1691593174 XBYLNKHFTCXGHH-ABSDTBQOSA-N 454.572 0.979 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CCO1 1711363794 QRPIKOXYCUYSPP-UXHICEINSA-N 453.547 0.615 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760300905 OBWQNCSQSBEOKQ-NEPJUHHUSA-N 485.430 0.315 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760307877 WYTIYQDEUXLMLR-SUMWQHHRSA-N 491.412 0.482 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCC[C@H]1C 1761498637 VKNJCORMGNBHLX-QZTJIDSGSA-N 487.634 0.966 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1767856920 QNOMDKGLFKVJEX-KRWDZBQOSA-N 450.521 0.130 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)CCO1 1769259024 KWYMNMNTARTDRI-GOSISDBHSA-N 469.502 0.522 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C[C@H]1C 1771150603 WXQNGJBKFGHJFK-NTKDMRAZSA-N 469.590 0.952 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779420391 RIKDUXFZPDRKCC-ONPBXAEWSA-N 488.607 0.357 30 20 JCED Cc1c(C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn2[nH]cnc(=O)c12 1780019217 BCWGEXACQAYIAM-OJYHMXOKSA-N 455.519 0.246 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780203673 NSASISDUSRQYJK-QRQCRPRQSA-N 472.502 0.923 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1780801920 CYSMEGXDDCNYLD-AVBTWRTFSA-N 481.575 0.767 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1781047368 FBMZWZVIOJCBMH-HFBWVMAISA-N 480.562 0.202 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4cc5n(n4)CCNC5=O)CCO3)C2)c1 1781961663 LJWGYPRQDPQFGC-JOCHJYFZSA-N 452.446 0.395 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783141610 FOOOLQKANQHZHB-HTAPYJJXSA-N 452.552 0.812 30 20 JCED C=C(Br)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1783765014 HWWCGYNYLNUICL-LIRRHRJNSA-N 475.384 0.967 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1783767830 DUWRKSHVNYGKJT-OPAMFIHVSA-N 483.635 0.770 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089197 QLEGEABMIUJADG-SBUREZEXSA-N 478.546 0.834 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)N(C(=O)OC(C)(C)C)C1 1784089620 WBBSBOZRWQHJMI-NXMSCROESA-N 476.574 0.908 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784118572 JYOMCVHKNDXVFG-MZNJEOGPSA-N 490.557 0.601 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3C2)c1 1785150237 ZUBCEOHFHYQFEG-VJANTYMQSA-N 453.499 0.069 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785724521 DGPZDZVCWAGUDO-MHECFPHRSA-N 495.573 0.962 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]2C1 1788780435 ZEGTXMCIXLXHIK-KNJMJIDISA-N 494.589 0.034 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(=O)OCCO)[C@H]2C1 1789250548 YCNHRBNKLGOJOZ-YYWHXJBOSA-N 488.537 0.938 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccncc4=O)[C@H]3C2)c1 1790582055 MBIPJXIYYJIJQB-VDGAXYAQSA-N 451.483 0.417 30 20 JCED CC(C)(C)OC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1790989934 JLGKCNSQUPPMRP-PCXFNGIVSA-N 451.568 0.963 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1792451188 GJEIVVOUJYGCTI-XVMXLUHGSA-N 496.605 0.995 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1 1793943176 QXPSWVAPISQLQX-KYHREEPGSA-N 452.511 0.371 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1794504443 LEEKPIZROHJEMI-OPMZPASUSA-N 453.543 0.577 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)=NO2)C1 1795083665 NOEWQQCXZRQOBH-OLMRKFRDSA-N 461.519 0.646 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)[C@@H]1SC(=N)NC1=O 1796422806 DRQKMWLILYDZIW-PPPFTMBKSA-N 476.580 0.879 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798592433 OGNSPEDKSNQMJI-NNNWTRQLSA-N 484.944 0.885 30 20 JCED CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCc3ccc(C#N)cc3)C4)CC2)CC1 1799190650 SJDOMJBQXNSHQC-ACHVPNTGSA-N 465.598 0.860 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccc(O)nn2)C3)ccc1F 1799326795 GLVBNXWVZYCSOZ-MFKICJERSA-N 455.446 0.404 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1-n1nccn1 1799672391 QKBKVHRCANDQET-UPHUGPLXSA-N 453.499 0.980 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(I)c(O)cc1O)C2 1800455309 YRSYSBSKWALLMC-WRBXQSRGSA-N 456.236 0.539 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1801005529 YJOCWONFWKOYBQ-LBFBHYQSSA-N 484.431 0.791 30 20 JCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1801169122 JXMIJMJMNYJKKV-CLWJZODNSA-N 464.563 0.538 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C 1802159582 HHQXPOJGCDQVSN-RBZJEDDUSA-N 487.623 0.236 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]2c2cccnc2)c(C#N)c1 1808167466 RVULLEMZMLFWHF-VNZMSGEBSA-N 478.553 0.803 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810094639 MSNNVFNBUTZJPQ-NMYBWEHASA-N 460.535 0.624 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@H]1c1cccnc1 1812408537 GXUUKVMUDFPWKX-PLMTUMEDSA-N 467.482 0.896 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)CC1 1822201471 JNYTXQWNHBLJBY-HNNXBMFYSA-N 451.505 0.161 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cc(C)c(O)nc1=O)CC2 1822930673 SMASDOIQPNYYJS-ZDUSSCGKSA-N 475.527 0.835 30 20 JCED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2CC(=O)NC2=O)CC3)cc1 1823489795 VAHAWCGGSZQOOL-CQSZACIVSA-N 452.496 0.987 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)NCCC#N)CC1 1826897150 IWVVYBMPPFEBNU-MSOLQXFVSA-N 451.568 0.952 30 20 JCED C[C@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1829221628 SIVDNFLIBFYEFE-DFBJGRDBSA-N 466.538 0.986 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccncc3O)C2)C1 1829332186 BRUPNFWSJHOSRZ-VWLOTQADSA-N 492.488 0.941 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)cc1 1829630034 OBNLVRVQLFGLEP-XMMPIXPASA-N 450.495 0.894 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C3)C2)C1 1829668003 FGXKNXFNZVBAJS-WZONZLPQSA-N 467.563 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3C)C2)C1 1829764191 HEDUVOYRUCNATG-FFYIOULGSA-N 456.543 0.637 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4C(=O)Cc5ccccc5C4=O)CCO3)C2)CCC1 1830838751 VVEBJETZEFCBJT-AREMUKBSSA-N 494.548 0.752 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc(Br)c1F)CCO2 1830880358 KJBBQARECOKABM-FQEVSTJZSA-N 483.290 0.675 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831341671 XUUVWARLKDGBBL-FQEVSTJZSA-N 453.492 0.202 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4sc(N)nc4c3)C2)C1 1831393716 NUCDVGFPLZLOGA-IVZQSRNASA-N 458.540 0.987 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2)C1 1831419578 NNWRUGGJUGYSRW-FLFXDLLNSA-N 499.605 0.962 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831427171 PWQLOJUCNZSBHW-NTKDMRAZSA-N 474.558 0.579 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1831492315 JXECVNAYCWLLNZ-GONYIKIESA-N 465.572 0.863 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1832000095 GRVJWUQDJNDJDH-IVZQSRNASA-N 479.534 0.655 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1832004866 QGXKTGTVFKOWAI-PTDBIEIZSA-N 475.608 0.689 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832353922 MNWLGJGESSMHED-YDIMBITNSA-N 463.575 0.825 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1832454350 JBLWRLLTSHVHDI-NRFANRHFSA-N 450.561 0.510 30 20 JCED Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833413246 BYCVGGPSOAQUCJ-QHCPKHFHSA-N 468.466 0.044 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncn(C)n4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1833885468 NVJBUTBOBXRZKW-SBUREZEXSA-N 490.561 0.451 30 20 JCED CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)o1 1833904081 RUIVXQWCSVYQLV-HSZRJFAPSA-N 469.498 0.761 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834635986 KRZAONAEBVBYMN-LJQANCHMSA-N 477.606 0.563 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)[C@H](N)c3ccccn3)CC2)CC1 1834715166 HKFVSSJSCBZZEL-OAQYLSRUSA-N 455.607 0.935 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ncn(-c4ccccc4)n3)CC2)CC1 1835156028 MEBOSMQULXBWKL-UHFFFAOYSA-N 450.499 0.541 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835678068 XQOAUQCZDDURKJ-HTAPYJJXSA-N 451.568 0.029 30 20 JCED Cc1cccc(C)c1NC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681441 ZGCCYYAVNASIPU-VWLOTQADSA-N 485.585 0.980 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835781583 FWZFJZFIBCTOHH-DGEAWOGYSA-N 462.547 0.886 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2sc4nccnc4c2N)CCO3)c1 1835876512 LCUXRUKOSWSKRU-NRFANRHFSA-N 467.511 0.857 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836171234 GJGVUYUMCFAACX-FQEVSTJZSA-N 474.562 0.915 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5c(n4)OCCO5)CCO3)C2)c1 1836470364 SCIVYMYYQPUMHP-JOCHJYFZSA-N 453.455 0.436 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837015466 BVVNSPJYCYISII-CSOJOJLQSA-N 452.471 0.511 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837161729 XJILOXKGIYNEFV-HSZRJFAPSA-N 456.499 0.914 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837443538 FQRPLJVGDKDXMA-XUHCNCODSA-N 455.519 0.271 30 20 JCED COCCOCCOCCOCC(=O)N1CCC(OC2CCN(C(=O)CCC#N)CC2)CC1 1837795724 KIZJCSICBSNNPK-UHFFFAOYSA-N 469.579 0.985 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)nc(OC)c3)CCO2)C1 1838228389 OCOUSYRJHMDQGH-YCRPNKLZSA-N 451.907 0.852 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1838604661 DDLDLBHUESYAPC-JOCHJYFZSA-N 455.471 0.162 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccc(OC)c1OC)CCO2 1838839834 FYWAPEICGQKYHM-IYZQMXKPSA-N 474.514 0.027 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)c1 1838905413 FAAWFWFYSBHWCC-OAQYLSRUSA-N 454.443 0.433 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)CCO2 1839085508 IWHOLTAYUWAQTG-AERDPVEMSA-N 485.603 0.540 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(C#N)cc5)C4)C3)CC2)CC1 1839107354 IBAIUTOHZLWOJB-XMMPIXPASA-N 467.570 0.408 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(N4CCN(C)CC4)CC2)CCO3)c1 1839107504 MXFYXGONWNMRGQ-RUZDIDTESA-N 481.597 0.717 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)c(C#N)c1 1839131966 KOMHJRPVEXORLF-VWLOTQADSA-N 480.521 0.428 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)c(C#N)c1 1839132217 ZUGTWVNUCYJSEF-JOCHJYFZSA-N 455.471 0.308 30 20 JCED COc1ccc(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)CCC2)cc1 1839141107 WPRSHXJCRDUQHT-QHCPKHFHSA-N 456.495 0.661 30 20 JCED Cc1noc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n1 1839186327 NAHZMDYRLUBXIQ-JOCHJYFZSA-N 457.462 0.630 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1839225487 KRKOMJDCWDDPCJ-WAIKUNEKSA-N 458.515 0.801 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839380566 LHIIATWCOHUOQD-RLWVUDJFSA-N 481.557 0.809 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839652636 PDYCICARZMDFBL-HSZRJFAPSA-N 473.599 0.431 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(Cc4ccc(OC)cc4)c3)C2)C1 1839807275 RQBYWMQMQDWVGF-XMMPIXPASA-N 452.511 0.572 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1)C(F)(F)F 1839893685 JPZFTXCRIGZSHU-HXUWFJFHSA-N 497.430 0.867 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1)c1ccc(O)cc1 1840221090 WAUDJVTUPWMNKJ-GBXCKJPGSA-N 467.526 0.637 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251682 SXXXEKVHTRVISV-KSFYIVLOSA-N 476.534 0.440 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)on3)CCO2)C1 1840370256 PSKXRWJCIAQJGS-CYFREDJKSA-N 490.557 0.899 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCOC)C2)C1 1840906556 FGUGTGCKUNWQLA-MBSDFSHPSA-N 467.563 0.786 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1 1840912416 HGEANOMETPZDEO-MQNAVGNWSA-N 466.579 0.474 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2 1841603070 DHOOISIHMQCNNN-HZPDHXFCSA-N 451.520 0.685 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OCC)C1 1844155995 FSCYSLYPMFFEGS-LSDHHAIUSA-N 454.524 0.724 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845067231 WGBZOJKKNXSASQ-ACRUOGEOSA-N 497.596 0.920 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CCOCCOCCOCCOC)C2 1845189110 SVVRPCOGLZIJDU-UHFFFAOYSA-N 470.563 0.786 30 20 JCED C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2=O 16775882 JTXULYWOQCYKOE-AOMKIAJQSA-N 473.555 0.892 30 20 JCED CCc1cccc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccnn3C)c2=O)c1 502048912 HSILDJCHQTXBCZ-OAHLLOKOSA-N 451.552 0.849 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1 512438914 LJFLBSGEOOVLFV-XAMWDVODSA-N 454.508 0.198 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 514712414 DVAAQEXUGZWLDZ-UHFFFAOYSA-N 459.524 0.806 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C1CCN(C)CC1 516375611 CZWGIIINSBTCLB-UHFFFAOYSA-N 485.566 0.740 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 523733442 LVEDKPZRYLDNLP-CYBMUJFWSA-N 493.969 0.983 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C1CCN(C)CC1 552829778 QLZNUHIYQNFIHZ-HNNXBMFYSA-N 485.566 0.739 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CC(=O)N(C)C 604270014 BXLWOGVPQAEEHW-UHFFFAOYSA-N 456.568 0.816 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CC1 609437607 BVADZVCMAIKDKV-UHFFFAOYSA-N 482.522 0.773 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(S(=O)(=O)NC)c2)cc1 643021297 DIOVNMRCHQGHMT-UHFFFAOYSA-N 480.568 0.656 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 728040048 YZPCCTXTLNZMNC-UHFFFAOYSA-N 453.442 0.335 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1C1CC1 728557258 HEOUNVYGQKWVFI-UHFFFAOYSA-N 465.510 0.931 30 20 JCED C=CCOc1ccc(/C=C\C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1OC 915269099 KOBCYUPOZZBZDW-VURMDHGXSA-N 464.588 0.910 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc3cccc(OC)c3o2)c(=O)n1CCOC 917356319 UNKACNAFNMNXPB-UHFFFAOYSA-N 457.508 0.577 30 20 JCED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCC2(CC1)OCCO2 918817992 LLILBQOPNGPYKB-UHFFFAOYSA-N 451.501 0.460 30 20 JCED COCCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 920786302 DIUPLCYMPIDDQR-LYBHJNIJSA-N 465.576 0.665 30 20 JCED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 1115847235 GNLRHRACPAJRRY-GFCCVEGCSA-N 475.317 0.945 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(CCO)Cc1cnn(Cc2ccccc2)c1 1295191137 XBUBYODEIMFWDE-UHFFFAOYSA-N 453.524 0.991 30 20 JCED CS(=O)(=O)N1CCC(NC(=O)CN2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 1307452454 ZSVGVMCJYAAMMP-UHFFFAOYSA-N 456.572 0.769 30 20 JCED N#Cc1cccc(NC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)n1 1466941407 WGXVEBSLRMVFAP-UHFFFAOYSA-N 457.516 0.723 30 20 JCED CN1CCC(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)(N2CCOCC2)CC1 1478403600 MDUVAOOGVVDGKM-ZWKOTPCHSA-N 450.584 0.841 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1504530209 SCZRJBGODCRRHY-VVLHAWIVSA-N 456.569 0.258 30 20 JCED CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1505137515 IRVNELCJRZNDRJ-UHFFFAOYSA-N 457.560 0.861 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 1519153361 XDWZVONBDSRFSE-QFIPXVFZSA-N 494.600 0.918 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539803667 KWKXEZDKPIKALM-LPHOPBHVSA-N 485.998 0.849 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C 1541803621 KFETZLIPGUUKCC-CABCVRRESA-N 455.585 0.654 30 20 JCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1544959603 VHYLTDNRJHFVIQ-HOCLYGCPSA-N 456.590 0.680 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)c1 1555794673 OXEPMZFHMAUJRU-INIZCTEOSA-N 480.572 0.113 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1696594190 JDEPVMDHEPJGSE-QHCPKHFHSA-N 469.546 0.090 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697022203 ILIHQUISWPEEIO-UHFFFAOYSA-N 455.548 0.426 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1697700971 RCDWBBKRSWLNOR-YLFCFFPRSA-N 456.569 0.401 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1705755169 NHEVXSQHGLNSRF-ZIAGYGMSSA-N 470.017 0.623 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1706078495 XRAJPTRKOOQSGD-KXBFYZLASA-N 487.586 0.541 30 20 JCED COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1=O 1712472025 QGDADQDLPGSAHT-MJGOQNOKSA-N 481.557 0.891 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 1723615999 DBHCEWOIPRSSQX-QGZVFWFLSA-N 488.593 0.887 30 20 JCED CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1OC 1746804464 NHYDBILECDSHRR-KRWDZBQOSA-N 456.503 0.940 30 20 JCED COC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1770755885 IWUFKOBWVMRJEZ-SNRMKQJTSA-N 478.575 0.999 30 20 JCED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1)C(F)(F)F 1778116310 IHZHKLJGALHFKA-QGZVFWFLSA-N 453.483 0.606 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)C1 1780654128 UIWLZZCNIHSGPF-QNFHRHJVSA-N 450.536 0.642 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H]2CNC(=O)C2)C3)c(C#N)c1 1780688626 XSWKFLOOTDLZGR-DRMXPCRNSA-N 454.527 0.759 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1781168940 ZXFMAPWEMVDPCO-HXOBKFHXSA-N 464.563 0.601 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(F)ccc3I)C2)C1 1781587743 GRGLDZPLEYKWQG-GOSISDBHSA-N 486.237 0.962 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC(C)=O)C1 1781789197 XADHTVAGBADOGW-HOBQYKGVSA-N 478.590 0.942 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)[C@H]5CCCS5(=O)=O)C4)C3)c2c1 1782959177 HFPCWZPELKWGCX-UTKZUKDTSA-N 457.512 0.455 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)NC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1783181192 GPJSFFKJTLPSPD-CEXJFXJFSA-N 464.563 0.907 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C[C@@H]32)cc1 1783441463 RPPUPXLUCORHQJ-WFXMLNOXSA-N 497.577 0.936 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(C)(C)S 1783567022 CTNXWFKVSJXXQT-IERDGZPVSA-N 469.560 0.506 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1783603576 PFVHGHCPYCQJPW-QMHKHESXSA-N 478.546 0.967 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1)NC(=O)OC(C)(C)C 1784601997 VDIKNEHWCBGZMA-JLHGSKIFSA-N 477.566 0.924 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785381992 LODGRVMTQLSQCV-HYBUGGRVSA-N 480.525 0.237 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1789904363 MBTCKSDKRGBITA-FJIDUMEYSA-N 466.579 0.914 30 20 JCED CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)NC(=O)OC(C)(C)C 1789939276 CTHIUPYQHHGMOT-QAETUUGQSA-N 451.520 0.748 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)NC)NC(=O)OC(C)(C)C 1793288191 DCJCODNJVXBBET-UIVXKWKOSA-N 452.552 0.572 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)c(C(F)(F)F)n1 1795286640 DFYKMNRGPDTPSA-VAECKANCSA-N 451.405 0.454 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@H](N)C(N)=O)cc(C(F)(F)F)c1 1795636157 RZCCHOLLTHTZLH-KPEUIFRASA-N 467.448 0.373 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1ON=C(c2ccccc2)O1 1797643533 OGJFAHNWHSACEK-PRGQPEKQSA-N 455.515 0.782 30 20 JCED CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)C(C)(C)C 1797809789 GHPMCMOOBANJRO-RLWURPSJSA-N 452.552 0.656 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1797815878 XQDFVGNBFYSGFU-HHSBBOMPSA-N 460.413 0.556 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C3)c1 1799801454 YUZOFCAXLOXODM-WKCHPHFGSA-N 474.583 0.742 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc5nncn5c3)C4)c2c1 1799884209 LOMWBJHWCYBKKH-CWPLJXCYSA-N 456.466 0.994 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)N1CCOCC1)C2 1800023022 MJWUMQJFGLYBBQ-WMZOXILCSA-N 492.617 0.972 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1ccc(C(N)=O)cc1)NC(=O)OC(C)(C)C)C2 1800450769 NGAIBCQWZRLBSO-RCLSDMTESA-N 484.553 0.444 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1800535193 MEFCSKCLXBWBPB-GYFISPQKSA-N 466.579 0.960 30 20 JCED CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778881 UTWUADADEZMPCM-DPIQGUFMSA-N 467.931 0.588 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C 1801158675 QVNRXSVYJQGGJU-LVEJAMMSSA-N 463.531 0.540 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1802140014 ZYIAREUDQAQFLU-XDRXCXCGSA-N 471.576 0.090 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1802392484 KTUNZTLLPDBDMG-ZEQKJWHPSA-N 479.581 0.878 30 20 JCED C#CC(=O)N1CC[C@H](CNC(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)[C@@H]1c1cccnc1 1812448677 JAHBSGSYIJKBFC-UZLBHIALSA-N 490.524 0.861 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CNCP(=O)(O)O)CC3)c1 1821385357 PLUKSQIOAPTDHZ-CYBMUJFWSA-N 479.455 0.974 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CNCP(=O)(O)O)CC3)c1 1821385358 PLUKSQIOAPTDHZ-ZDUSSCGKSA-N 479.455 0.974 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822197573 VBWKYMWURYAYAZ-UKRRQHHQSA-N 463.491 0.766 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824974482 GQHMMWAQVJXDHL-LLLIPYIGSA-N 498.646 0.866 30 20 JCED COC(=O)[C@@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2)NC(=O)OC(C)(C)C 1825889806 GUNANSZLRXHZBT-WCQYABFASA-N 494.526 0.600 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1828026515 KFXOCOSTJRBPCO-CYBMUJFWSA-N 468.495 0.558 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828924873 HNAQIHRCZIYAKD-PXDATVDWSA-N 499.568 0.893 30 20 JCED CN[C@@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3(C#N)CC3)C2)C1)C(=O)O 1828990783 VLDCPBZQPJFPGC-DFBJGRDBSA-N 497.552 0.805 30 20 JCED NC[C@H](N)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCN2C(=O)OCc2ccccc2)C1 1829133348 MCYWKEUTSAWUBJ-PJEYITNJSA-N 499.616 0.196 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(C)(C)C 1831088434 HSSFDFWXZIUMTD-PXDATVDWSA-N 477.602 0.692 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)C1 1831215445 NJSXZCARFLEITJ-RUZDIDTESA-N 494.552 0.049 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CCN4CCCC4)nc3)C2)C1 1831391941 GYVUBVRRZZBARI-QFQXNSOFSA-N 484.597 0.828 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831407192 RJVJFYMTVVHBRE-CYFREDJKSA-N 499.605 0.965 30 20 JCED Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831876322 MDVPQHSHXSPQQL-QHCPKHFHSA-N 463.498 0.860 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3COc4ccccc4O3)CCO2)C1 1832492469 MCEAQJNHGMXXCE-HYBUGGRVSA-N 472.542 0.565 30 20 JCED Cc1cccc(C)c1N1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1=O 1832545554 WGAQFQLNLSIBES-CLOONOSVSA-N 483.521 0.201 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cc1cccnc1)NC(=O)OC(C)(C)C)CCO2 1833106704 FTZFKNBLEZIUAT-YADARESESA-N 472.542 0.607 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833615688 QYWVDMOKEFCUEL-HSZRJFAPSA-N 457.531 0.538 30 20 JCED C=CCCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)c(O)n1 1834676122 RLKYESXVWXDTIC-UHFFFAOYSA-N 457.579 0.574 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835338361 FNNPAEJSUBDAQR-FDDCHVKYSA-N 490.582 0.422 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836050163 FZBQQOZCNCHKLU-UHFFFAOYSA-N 472.546 0.270 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n(-c2cccc(=O)n2C)n1 1836259987 OPSREZWNPGBOEV-RUZDIDTESA-N 494.552 0.643 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc([C@H](C)C#N)c4)C3)C2)CC1 1836768818 DLTSXMJMTXRSJS-FQRUVTKNSA-N 497.596 0.548 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccccc34)CCO2)C1 1836939254 BGRFLQIZAOMTAH-QHCPKHFHSA-N 454.531 0.915 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1837394996 NIVNAUHKYAOMBZ-FDDCHVKYSA-N 460.531 0.683 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1837527511 OQOIXTJXKWJFNF-CZYGPWSVSA-N 498.540 0.866 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]cc4I)CCO3)C2)CC1 1837963664 WGICBLKGJZITCE-KRWDZBQOSA-N 485.282 0.388 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)[C@H](O)N5CCOCC5)CC4)CC3)c2c1 1838404803 RNOXEVSDQHSVFC-VWLOTQADSA-N 496.568 0.697 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c1Cl 1838597949 GYBCKJXCHGEVBX-QFIPXVFZSA-N 471.901 0.539 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1839176323 HZGURMMVPSGOJJ-RDPSFJRHSA-N 457.527 0.989 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186246 IHWNKHONCGEKMR-XMMPIXPASA-N 471.533 0.978 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)ccc1F 1839186952 ZWGAFXLHPFJZRZ-XMMPIXPASA-N 481.484 0.504 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOCCOCCOCCOC)CCO2 1839220340 IAKYRYULZJFHRR-VWLOTQADSA-N 498.617 0.723 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1839390311 YNLHVNZMWJCZAA-VEUIDOLASA-N 475.542 0.786 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(N)=O)C3)C2)ccc1Br 1839401441 HLKOSQVENIGWAB-IBGZPJMESA-N 480.319 0.059 30 20 JCED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n[nH]1 1839487412 HPXJYNRFMQVBIW-HSZRJFAPSA-N 477.481 0.744 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839579213 ZAZCVHHQXBNFCM-CWTRNNRKSA-N 452.558 0.514 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839637131 XUWLIKYQHDBEDM-WNCULLNHSA-N 494.592 0.908 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039625 AQYXPUIDSIGVMT-UZUQRXQVSA-N 479.530 0.320 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c(-c5ccsc5)ccnc34)C2)C1 1840041676 BKLIVTOTPFVEDF-QHCPKHFHSA-N 495.517 0.616 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840076642 XNBJZIMDOMFJGV-OAQYLSRUSA-N 460.593 0.432 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)cc1 1840106819 ZVONQTSBNOCXNF-DEOSSOPVSA-N 454.527 0.835 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c1 1840193920 OSURTLATZVORFE-HXUWFJFHSA-N 451.476 0.585 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)n1cncn1 1840417348 OXEXNUZOWXEYOI-VBKZILBWSA-N 493.446 0.895 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1840906409 AXIMQQZBVCUHMM-JPYJTQIMSA-N 475.546 0.407 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(C)(C)O)C2)C1 1840909438 SRTVEDYARUUOLA-HXOBKFHXSA-N 467.563 0.520 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1840912798 RMSKCGRMLJIXPV-GAZXMLTASA-N 489.573 0.960 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840914744 ORKJNVMYLASXCI-HKARXFIJSA-N 479.530 0.224 30 20 JCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)c(C(F)(F)F)n1 1843168413 CRUJUZNYULAQOB-UHFFFAOYSA-N 450.377 0.341 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843234042 DJJUOOUOANVGGD-CYBMUJFWSA-N 472.506 0.099 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1845210302 YLFZVHSRYFWYIE-IFMALSPDSA-N 486.569 0.712 30 20 JCED N#CCCN(CCC#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 10149860 ITNQHEKMOLNKIS-UHFFFAOYSA-N 452.464 0.659 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 30664661 NWEYWQPDQNAEKJ-IAGOWNOFSA-N 486.616 0.263 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 503508343 ANVAOYOZGKRELY-UHFFFAOYSA-N 463.541 0.422 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 563644055 FLAFHZNYFXWIFY-UHFFFAOYSA-N 456.528 0.929 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(C)C 592993196 KYRUJXOZTGRSIQ-UHFFFAOYSA-N 470.530 0.551 30 20 JCED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 604465887 HJKYUKOENQLONQ-UHFFFAOYSA-N 489.392 0.792 30 20 JCED CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 609053287 AMUWFOCZVTUVOD-UHFFFAOYSA-N 492.579 0.720 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(=O)N(C)C 729669382 NOCAXVQMAQVPMX-UHFFFAOYSA-N 466.563 0.517 30 20 JCED CCn1c(CCC(=O)[C@H](C#N)C(=O)NC2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 916927538 WBTNKOSBXWGJDR-KRWDZBQOSA-N 473.555 0.997 30 20 JCED CN(C)S(=O)(=O)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 917195163 WYVRHHMHEGRWKY-UHFFFAOYSA-N 450.542 0.682 30 20 JCED C#CCN(CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 920200692 KYVZOQMITNDAIO-UHFFFAOYSA-N 450.561 0.974 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)C 1288599687 RUQDDJBHXAOVGZ-SJORKVTESA-N 452.567 0.841 30 20 JCED C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1303697513 YASXWAVXBARLDI-IEBWSBKVSA-N 489.602 0.645 30 20 JCED CN(C)CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1314669244 YQAKDWHFIWZGFK-OALUTQOASA-N 474.587 0.898 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)c1 1316336222 NCYRHMVNNWKXHT-LJQANCHMSA-N 482.563 0.826 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1503405703 MTXRVYIRLAZALW-KRWDZBQOSA-N 473.559 0.428 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)c1 1504131937 OZUALIVRCSYROJ-QGZVFWFLSA-N 450.521 0.582 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1541004011 XTXAIYVFFGEXAO-UHFFFAOYSA-N 486.602 0.062 30 20 JCED CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1541406012 WRWDLQIHRYBGGK-BDXSIMOUSA-N 468.580 0.401 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCc2sccc2C1 1541946170 QRSNSMPXNKRDPX-HOCLYGCPSA-N 465.605 0.737 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCn2cc(Cl)cn2)C1 1620170942 PKBXVTMARPPPNJ-INIZCTEOSA-N 468.971 0.901 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1690994039 UXJOWJGSAXSXOX-HUUCEWRRSA-N 454.578 0.958 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1710885098 TWMNJYSXYPJVNV-FQEVSTJZSA-N 489.602 0.830 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1711049794 XIANJDVEYLYWRS-KRWDZBQOSA-N 458.544 0.546 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1712494016 UBNYXEMNLATSSX-UHFFFAOYSA-N 496.616 0.661 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CCO1 1760674551 PRHOUBBUDMOQCH-IBGZPJMESA-N 488.570 0.647 30 20 JCED C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1761414129 KSUYTMKSENVXAM-ZACQAIPSSA-N 455.585 0.070 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1766694131 VSCDTYYRYSNZJO-UHFFFAOYSA-N 489.602 0.374 30 20 JCED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1771358652 OGHFHDFNCWJCOW-QGZVFWFLSA-N 458.544 0.974 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC(=O)NCC(F)(F)F)cc1 1771534036 LCFBQDSVUYYZBN-UHFFFAOYSA-N 472.449 0.642 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1)c1ccc(O)cc1 1778263869 MZTHSPUWXWOBGX-NVQXNPDNSA-N 468.598 0.967 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c(O)n1 1778379944 KOBJOQNATGBIJG-VWLOTQADSA-N 494.552 0.993 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1)NC(=O)OC(C)(C)C 1781425458 FYWNBORLORIDDP-VGSWGCGISA-N 462.551 0.968 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)cc(C(F)(F)F)c1 1782030676 CCGRIIKYKOVVHR-MGPUTAFESA-N 479.415 0.619 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783118037 HRSLBVXDCWIMQI-FOIQADDNSA-N 454.474 0.983 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)NC(=O)OC(C)(C)C 1783786056 PYNSJAWZJZQIKV-WAIKUNEKSA-N 478.546 0.967 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783897598 CMQFXSBNBDBBQE-ARGWCVDVSA-N 459.565 0.591 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1784088474 GFJGWWKIHPZVFX-DGGJZMOXSA-N 464.563 0.893 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H](NC)C(=O)O)CCO2)NC(=O)OC(C)(C)C 1785303777 JPNPVKWPKYKXRI-QQMNAOGKSA-N 482.578 0.739 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)c4ncn5nc(N6CCOCC6)ccc45)CCO3)C2)CCC1 1785364718 CVDKKCSHTBLQMW-XMMPIXPASA-N 479.541 0.703 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]32)c(C(F)(F)F)n1 1787197919 GVAMMCQAIPLVSD-PJODQICGSA-N 476.415 0.962 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)C[C@@H]21 1788774768 ZNPJHOMIWLLBIZ-KANFNMMFSA-N 462.934 0.956 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(=O)OC)CC3)[C@H]2C1 1790889382 JHLHKRLEDRVQLN-FJIDUMEYSA-N 477.558 0.836 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN(C)C)C[C@@H]21 1792257755 LJFUFGNDVRWEEF-VJANTYMQSA-N 450.580 0.834 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)C2 1793340624 BYDKFWRAYFBZKU-OUUBHVDSSA-N 491.585 0.783 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O)NC(=O)OC(C)(C)C 1795645475 HVRCJJGOAQLZIL-QRXRQMIZSA-N 482.578 0.498 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSC(=N)N)C3)c(C(F)(F)F)n1 1795995200 WBAXRZXUCGAXHC-WDAIWFPHSA-N 456.450 0.802 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797811592 PSCNFBHBIRFUOA-INLMFVPISA-N 497.593 0.347 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(Cc2ccccc2)c1 1798150405 UAOFWHGXFPZKNH-JEYNEBQYSA-N 463.538 0.993 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@H]1CC(c2ccccc2)=NN1 1800154598 BFYHKPNNVBMPOR-PHDTUNDDSA-N 452.559 0.814 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1800801510 LBSOSLVKKURPLA-NRUGXNMXSA-N 498.577 0.833 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)N(C)C)C3)cc1C#N 1801846746 WCQAMVQADOMVEM-RMFSNUHRSA-N 457.531 0.820 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnn(C)c1)C2 1802126043 HNIRSBPNQZPLDT-AJYBTWMASA-N 459.547 0.469 30 20 JCED NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1807192786 XQSJCVVVOWASHR-NNMXDRDESA-N 455.559 0.379 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cnc3c(c2)NC(=O)CS3)[C@@H]1c1cccnc1 1812218207 LVHUMSNJYSAUDZ-XOBRGWDASA-N 465.491 0.928 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1814063706 MUDDELGSQFFXCF-VGOFRKELSA-N 499.491 0.478 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1819706112 KGQKOIILUFVDEW-CZUORRHYSA-N 470.617 0.359 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1825102567 OFVORNVFGYTBBU-PKOBYXMFSA-N 498.584 0.092 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661473 SXRNCMZATCWPBJ-TZMCWYRMSA-N 478.527 0.779 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCN2C(=O)OCc1ccccc1 1828585164 RFEZQOCQAPSIPF-MBSDFSHPSA-N 475.567 0.752 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1828811389 YVJIBVIDQWUNHX-DEOSSOPVSA-N 479.493 0.277 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCN2C(=O)OCc1ccccc1 1829232909 YYUZESXHIFTMDY-YADARESESA-N 452.511 0.693 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 1829762800 RRCDXXOXGDACDC-FFYIOULGSA-N 486.525 0.842 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)cc1 1829903008 AYOYMLMVXAXHEE-DEOSSOPVSA-N 465.510 0.850 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461510 MRMCZTLZTFQCOT-GBXCKJPGSA-N 454.527 0.568 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465689 QAYPIKVIRKJTTB-VGSWGCGISA-N 482.986 0.829 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)C(C)C)CCO2 1830877736 NALHDFLZJHMCOR-IUKKYPGJSA-N 467.563 0.376 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218746 DPGOBYBSVQUYKG-FDDCHVKYSA-N 465.547 0.132 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1831394130 WXTMSQXTBURNSU-QKKBWIMNSA-N 461.906 0.720 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1831427603 UJGREMBJCRENSN-AUUYWEPGSA-N 471.352 0.844 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246349 DBRAGSFKLUBSIM-IAQYHMDHSA-N 460.446 0.752 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832668556 RRSFROJKXUJBCD-BXKMTCNYSA-N 489.525 0.835 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)cc1C#N 1832701620 KRHNRFPCNCRMJM-KOSHJBKYSA-N 499.524 0.014 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1833465951 YRISYGRZMAHXQD-SFHVURJKSA-N 468.620 0.022 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834753856 RVERNTRYMOATMI-ZDYKIDIISA-N 486.591 0.018 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1835356900 RIOUXLDRGIWSDX-URXFXBBRSA-N 456.543 0.648 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835536662 QUPWXRYFBPTEOH-VQDLLJBESA-N 466.579 0.507 30 20 JCED Cc1ccn2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cnc2c1 1835682215 BXYCYMKODKZBTO-DEOSSOPVSA-N 468.558 0.995 30 20 JCED N[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1cccnc1 1835835530 XLLKZHQBWHBWIV-SBZRFHNHSA-N 458.563 0.400 30 20 JCED COc1ccc(-c2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)no2)cc1 1836529670 KUKRAPVAJAYLAT-HSZRJFAPSA-N 469.450 0.508 30 20 JCED CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CC1 1836675966 PCVJHJXBUDJIOB-DEOSSOPVSA-N 455.559 0.070 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)CCO2 1836686928 BZYMOILLTPGOJY-LEDOBFOHSA-N 463.600 0.662 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837116864 RYEQNHGIIOMZLH-WMLDXEAASA-N 451.524 0.384 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CSCc3[nH]cnc3C)CCO2)C1 1837330620 QUTRPONXVSKFSF-GCJKJVERSA-N 466.604 0.981 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837438932 AZQNFFIVWIRWMB-SBUREZEXSA-N 479.530 0.320 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837443752 IPAKWXQCHHQSLR-WUKOTQDVSA-N 455.519 0.500 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837490910 FXUWEGWZJYJRPU-YIXXDRMTSA-N 481.593 0.856 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)C1(O)CCC1 1837525861 QGFGVBADFCXUBM-JYTGYTCASA-N 453.536 0.523 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1)c1ccccc1 1837612415 VQKQMOFXFOHBNG-WZOHSFFVSA-N 482.537 0.238 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C(=O)N(C)C)CC2)CC1 1837816159 ZMNILKXFJCVHEV-IBGZPJMESA-N 478.590 0.990 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1838567594 FUIZZKMOADHWCS-RUZDIDTESA-N 490.553 0.889 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838579291 IOGOTJMXYRSYFN-NRFANRHFSA-N 465.528 0.072 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742633 KNMXVJXEFWIKTQ-HOYKHHGWSA-N 485.541 0.873 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5ncccn45)C3)C2)c(C#N)c1 1839132255 AMKSDBMDHMXDBA-VWLOTQADSA-N 490.520 0.922 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1839174021 AVOMUAIVYMVTMK-QHCPKHFHSA-N 460.531 0.727 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1839175585 ROSYDMVUXICNBE-XMMPIXPASA-N 483.525 0.847 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839209410 VIZCUEYUHNUGRR-TVTNDZMWSA-N 489.635 0.673 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3[N+](=O)[O-])CCO2)C1 1839232577 PFPMHWBJILXJQC-SBUREZEXSA-N 475.498 0.641 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839875647 RTQWRRZBAIVOKO-HPCCJCSGSA-N 492.573 0.048 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251532 JKZZBFSJPYOIKE-VUMVONDWSA-N 494.589 0.533 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840276413 MHFLHGXMIMZMQK-FBFJCBDHSA-N 493.601 0.911 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ncc[nH]4)CCO3)C2)c1 1840325879 YKNUVLKAJJGOQS-QHCPKHFHSA-N 453.499 0.993 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840382282 UFHVKBRGKRAJHH-OAQYLSRUSA-N 472.527 0.304 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2)c1ccccc1 1840478084 WQUROQQPRXSGHV-ZCVJKFOLSA-N 466.542 0.888 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1840795486 LCANBSGVNPMQQN-BSRJHKFKSA-N 482.578 0.437 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1840908534 CBYRZDIUWDFCAQ-GEYWLOKFSA-N 453.511 0.717 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1)c1ccc(O)cc1 1848071707 JCPWEVMQJUZWEV-HJNYFJLDSA-N 473.595 0.821 30 20 JCED COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1[N+](=O)[O-] 15527645 UIPLRGULUCWRAW-UHFFFAOYSA-N 487.494 0.738 30 20 JCED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc1 497791656 CGXMPHKYHXFAES-UHFFFAOYSA-N 477.568 0.485 30 20 JCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 516295957 KEPQEZCOWKLDSE-UHFFFAOYSA-N 497.533 0.923 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1CCc1ccccn1 523180537 VMVLRRCGGLCBMP-UHFFFAOYSA-N 452.561 0.971 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)s1 589161801 XOUFTUMKHRZSFN-UHFFFAOYSA-N 453.611 0.947 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)cc1 603553011 YTVMNNNVPOEZOX-UHFFFAOYSA-N 451.552 0.987 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2-c2ccccc2OC)CC1 603792170 HYGNLRDHVVKSPM-UHFFFAOYSA-N 475.574 0.970 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CC(N)=O 608910630 AORZXQSXQOUMSS-UHFFFAOYSA-N 460.581 0.545 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)c1 729502410 HOYSZVDXDJAXSA-ZBFHGGJFSA-N 458.558 0.732 30 20 JCED Cn1c(CCC(=O)Nc2cnn(CC#N)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 747434817 UZPFIURBRBVKAJ-UHFFFAOYSA-N 457.516 0.886 30 20 JCED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 824669024 BXBQXKPRIPBEOW-GFCCVEGCSA-N 459.318 0.765 30 20 JCED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 916198756 VOLZUUSRRRUCKL-UHFFFAOYSA-N 454.464 0.877 30 20 JCED CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 916705812 XJUFXCLMGBHCIS-LKUDQCMESA-N 478.619 0.582 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C(C)(C)C)c3)c(=O)n2C2CC2)CC1 917791690 NASGTUFZQGZFBE-UHFFFAOYSA-N 454.600 0.863 30 20 JCED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 918315129 IMDFPSWHSBBMDJ-QFIPXVFZSA-N 489.532 0.810 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)c1 918452178 NXWFYTBJKRHSKL-XIEYBQDHSA-N 475.531 0.539 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(=O)N1CCCC1 928865234 JRQBWXGMRARJBI-INIZCTEOSA-N 464.544 0.566 30 20 JCED CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1161442759 QTCHCAORFSMLQZ-HNNXBMFYSA-N 456.590 0.745 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359084763 RCFMGBKSUVBRMV-UONOGXRCSA-N 496.453 0.854 30 20 JCED N#Cc1ncn(CCNC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)n1 1449135146 YXHGBPFPLVQBSG-UHFFFAOYSA-N 450.316 0.985 30 20 JCED CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1)S(C)(=O)=O 1554125041 QTPRVOBCZVKOBR-NRFANRHFSA-N 460.560 0.828 30 20 JCED COc1ccc(CCC(=O)N2CCCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1 1631961759 JWICILKAHAWSRT-UHFFFAOYSA-N 453.499 0.913 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)COC)CC2)CC1=O 1698076125 IOYOFAXWFAGMQF-IBGZPJMESA-N 481.557 0.607 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1706076037 WVYFXTFLGFPKEQ-MSOLQXFVSA-N 483.639 0.442 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCOC1 1706622825 SQMSUJNMQLJSBG-QHCPKHFHSA-N 453.547 0.762 30 20 JCED CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)c1=O 1746360481 JNMBQSLHSYTZQA-XMSQKQJNSA-N 489.602 0.971 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CCO1 1748223463 PPGHMBYMUVONTB-FQEVSTJZSA-N 469.546 0.402 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(=O)NC2CC2)C1 1771361621 NTFFHVOKPABEKL-KXBFYZLASA-N 469.543 0.112 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1780051375 CLJNRSQNBHAAFJ-UZQCKINESA-N 450.499 0.774 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780202661 XMXNTBJGOMQDLG-NHMXVPMISA-N 483.529 0.594 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1781169420 PAYZJLNFLSYMPY-PMAPCBKXSA-N 489.577 0.761 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781173772 WWXZOXFUZJAKOX-QMHKHESXSA-N 457.531 0.647 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1781400862 QJEPYGUJHLUXLP-KKSFZXQISA-N 466.560 0.871 30 20 JCED Cc1cc(O)c(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1Br 1781959479 XAYZXINHKWAPRE-LJQANCHMSA-N 451.273 0.995 30 20 JCED C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015340 HWMRJZRWWMXIRG-ROMRWMGNSA-N 471.510 0.903 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)NC(=O)OC(C)(C)C 1782751298 WQCLCOGYFATELR-WAIKUNEKSA-N 496.561 0.219 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1783992054 NLYDSDYCVRVLAB-FJIDUMEYSA-N 481.594 0.134 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1784494128 NQBOOQAPEFWFDN-VJANTYMQSA-N 496.605 0.718 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)cc1C#N 1785195954 HWUMIIBDCIPWOQ-DEOSSOPVSA-N 491.508 0.834 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](CC)NC(N)=O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1787410728 SPMOLZQPZGVIJU-VMXHOPILSA-N 493.605 0.979 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc5ncccn5n4)[C@H]3C2)c1 1787939564 WGTPJEYPQKOGDH-SNRMKQJTSA-N 461.482 0.912 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3c(=O)n(C)c4ccccc43)[C@H]2C1 1788138408 AEGGHECQARPLMN-BFBMHGIHSA-N 481.553 0.178 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788639409 BFDQVAHBRPRLQU-VMXHOPILSA-N 454.520 0.034 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)n1 1788731198 DMLVVICJIDCLMT-IXGKORRHSA-N 489.573 0.796 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Br)c(O)cc3F)[C@H]2C1 1789276746 MIYVAAAKJBMLIP-PKWAYOAASA-N 469.263 0.975 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)Nc1ccc(F)cc1)C2 1792489690 ISRFVBPISSCVNZ-JVDGZWEOSA-N 458.490 0.602 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1793361358 IHHQKGYZUKNQGG-UYTYNIKBSA-N 483.562 0.624 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@H]1ON=C(c2ccccc2)O1 1797643272 LJGTZFWOFCJFEO-XCCVUZOQSA-N 472.498 0.840 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2 1799320466 IXXSXHSOUHTPNW-SFNKJDCFSA-N 487.619 0.870 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)=O)C2 1799322732 LORNHYXJHPWJPQ-ZMMAXQRCSA-N 452.552 0.572 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1799395802 YGWVEZQBRQUKKD-JCECYMMASA-N 470.567 0.653 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C3)c1 1799800412 QHSMXLDYXHUFCY-AJYBTWMASA-N 458.515 0.913 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2)C(C)(C)S 1800908014 UFJRMWDZYFLKJM-YALNPMBYSA-N 498.650 0.018 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1800989270 IMXPGHIRTSMMBL-RBZJEDDUSA-N 493.648 0.222 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nnc(C)o1)C2 1802139824 LWLKUGWLBXYKBM-FVSFCRNKSA-N 475.546 0.980 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1802477627 QPQVMTOZOGCZGE-FQPQFMITSA-N 467.486 0.751 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803909840 SQVDNXJHNLVCLI-DBXWQHBBSA-N 486.525 0.811 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2 1804373216 MBYPIQWUBQMXCL-XFIYOXNOSA-N 461.519 0.139 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1807025525 DDTWLOVOVURVLW-NDLNQOIOSA-N 463.431 0.524 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1812716897 IANXYARMVUCJHG-CVDCTZTESA-N 469.517 0.699 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815329680 BTQXXCGQQIPOIM-LLVKDONJSA-N 471.499 0.609 30 20 JCED CN[C@H](CC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1)C(=O)O 1819899779 ZFQOUHLLOOPQDZ-QTAWLIJTSA-N 453.521 0.647 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC(=O)NC)C2)C1 1828579919 JSQGBQOHRLNSAZ-DFBJGRDBSA-N 484.553 0.613 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1829334265 GTLCUFCAVKXJLV-YADARESESA-N 469.494 0.563 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1829856237 JJVUIEAPQGUQMU-UWJYYQICSA-N 497.474 0.957 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1829864533 KBNKBEPBSRSKCY-CVDCTZTESA-N 458.515 0.308 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c(O)n1 1831014276 GUDLYNBVORYHCX-QHCPKHFHSA-N 474.514 0.428 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)C[C@H]1CO2 1831217887 CLLGOVPGZJSBDQ-LQGLAIQGSA-N 489.569 0.635 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1831434353 WTGACHSULFRHDR-IXFSTUDKSA-N 460.531 0.247 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1831742178 MLWWFGAIOUKITK-QFIPXVFZSA-N 453.455 0.203 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1831998898 UUIQCPUDFWSWCJ-WZONZLPQSA-N 477.562 0.960 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1833608565 MDSRADLEHNDLQJ-FDDCHVKYSA-N 478.546 0.805 30 20 JCED CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)CCC1=O 1833689481 TYKOVMFVLDHDJT-JJIBRWJFSA-N 459.595 0.638 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4cncn4)C3)C2)c(O)n1 1833699791 LVGZWKGSIIMUPI-UZUQRXQVSA-N 470.530 0.829 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1 1834716125 DTBATBUJITUHMC-UHFFFAOYSA-N 462.595 0.682 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1834765650 JGAFYDBEXWDACZ-DEOSSOPVSA-N 482.537 0.451 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1835667673 MFBPCUCXZVYUGB-FQEVSTJZSA-N 450.927 0.482 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1837397653 RRKMRKRMTGGOSM-FVJLSDCUSA-N 452.577 0.042 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837481261 FGZZMGVUGMRTDY-AMEYQDPRSA-N 456.503 0.446 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492362 GUACODQGGCEIPF-VWLOTQADSA-N 469.538 0.554 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1837694554 MERXSMDTIKINDQ-SPLOXXLWSA-N 495.458 0.733 30 20 JCED CNC(=S)NCCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838395311 BRUWYAHNOAHHGW-NSRYLYFRSA-N 483.635 0.998 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838580629 OHXFNJNIKUUWNJ-NVIZVJJSSA-N 457.483 0.756 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CC[C@@H]4CCC(=O)N4C2)CCO3)cc1 1839080705 GZGWWHNCAVTQMV-VRUMLPLGSA-N 480.565 0.958 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)CCO2)C1 1839084303 WUYWBYHVNPAHBY-ISJRUSPKSA-N 464.563 0.645 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)N2CCN(C)CC2)CCO3)c(C#N)c1 1839103649 UFAWPTVLHZKYNQ-FNZWTVRRSA-N 499.612 0.202 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131653 QGYPRNTURXOGEA-HSZRJFAPSA-N 491.566 0.472 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1839215324 LAELADNAKFVPIW-CVDCTZTESA-N 458.490 0.317 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)N1CCN(C)CC1 1839362867 UIIXXLJCAHUSGJ-CPJSRVTESA-N 469.586 0.459 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486278 RHSSUBCSIZEBCK-PEBXRYMYSA-N 454.487 0.016 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630268 OYPJCABRLFRXIA-NYNQOQISSA-N 452.471 0.740 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C[C@@H](C[C@@H]3F)N1C(=O)OC(C)(C)C)CCO2 1840016694 SIPVUDRKRIHEMV-GBLYOYEHSA-N 465.522 0.812 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)C2)C1 1840043778 UIKNRUZCRUKZLB-HSZRJFAPSA-N 455.467 0.193 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C2)C1 1840163806 ZIWVZTAEVBYMLF-HVRFAWQISA-N 499.630 0.786 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1840166444 JJVUOXMNSHXBAM-AREMUKBSSA-N 481.549 0.862 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c1 1840193919 OSURTLATZVORFE-FQEVSTJZSA-N 451.476 0.585 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1)c1ccc(O)cc1 1840221294 KJLFTWKUAPSHQI-BSWQBHCVSA-N 471.554 0.857 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840276415 MHFLHGXMIMZMQK-YEWNNSEMSA-N 493.601 0.911 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840801227 RCRDRSTWIIVHKM-HTAPYJJXSA-N 455.552 0.949 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840802427 LYQPMCFPTKABES-KBVBPZEESA-N 498.577 0.887 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1840907450 VSMBLYHVJZSPPF-HXOBKFHXSA-N 481.546 0.313 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)C2 1841600855 WRFTZUMIGARVNS-LJQANCHMSA-N 458.603 0.951 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842814704 YQQAVCJUCMHFOA-HNNXBMFYSA-N 456.565 0.822 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)=NO2)C1 1846103179 XYLMRSZWMWSUGP-JOCHJYFZSA-N 460.487 0.434 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1 1846211353 KKUAKIPYYJDKOR-QWGSZXSUSA-N 478.546 0.505 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1=O 23853024 NPRULCBTTPQTOU-UHFFFAOYSA-N 468.558 0.374 30 20 JCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(CC(C)C)c1=O 507081345 YXYCBQIBOWREHX-UHFFFAOYSA-N 472.586 0.965 30 20 JCED N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 516010297 VZIZLDPUMWPPJT-UHFFFAOYSA-N 456.480 0.801 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(C)c2C)c1=O 518200836 UUGCBBZYYBUWKB-UHFFFAOYSA-N 498.649 0.905 30 20 JCED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 518749296 YURZDIFVKFOBKQ-MRXNPFEDSA-N 473.555 0.549 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCNS(C)(=O)=O 608912017 AKYBKDZVFOIFLF-UHFFFAOYSA-N 475.017 0.202 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCOC 728039799 RFIGRIANQFEJMQ-UHFFFAOYSA-N 455.458 0.629 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2nnnn2-c2ccccc2)CC1 728153174 NFXLYAUIVIHMOD-UHFFFAOYSA-N 480.554 0.435 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CCS(C)(=O)=O 729671103 HFLUMJYDTNWVOK-UHFFFAOYSA-N 496.408 0.522 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCS(C)(=O)=O 729673171 GIWOEBMIIMIBRM-UHFFFAOYSA-N 461.609 0.991 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NC(=O)N[C@H](C)COC 730029190 NZEYIRUDBBPHQL-PEBXRYMYSA-N 458.471 0.555 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 750566514 KQSGVLMSMWMCID-UHFFFAOYSA-N 463.537 0.369 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 920462198 YOWPRIJUTAGQJY-RDJZCZTQSA-N 470.617 0.928 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)OCC(=O)N(CCC#N)CCC#N)CC1 927296787 JPWLTIBOETZEGM-UHFFFAOYSA-N 451.505 0.891 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)C1 1287054101 PSBUJAKESRLXFE-QZTJIDSGSA-N 489.577 0.980 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1298013357 LYKICYWBRCRHHO-UHFFFAOYSA-N 466.546 0.869 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC3([S@](C)=O)CCC3)CC2)c1C#N 1304732221 ZIVBFXMKNBJNEW-UMSFTDKQSA-N 487.634 0.958 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN1CCOCC1)[C@H]1CCSC1 1468562617 XUTVPVXWGXREOH-AEFFLSMTSA-N 452.602 0.891 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccc(F)c2)C1 1555813924 VLLLAYUXXPTXBV-MSOLQXFVSA-N 464.523 0.722 30 20 JCED COCCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1619762902 JAKDLXQDMRBSDY-JKSUJKDBSA-N 456.569 0.402 30 20 JCED COc1ccccc1OCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1697616351 CWWGLCHITOUYLN-GOSISDBHSA-N 489.602 0.934 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1728665983 MSRBJSBBBQRHCS-UHFFFAOYSA-N 493.616 0.239 30 20 JCED CCS(=O)(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729228749 URKSFFVLRYFSBH-MRXNPFEDSA-N 492.631 0.385 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CCO1 1729679505 ISDPXQIUMUUQGV-FQEVSTJZSA-N 453.547 0.615 30 20 JCED CC(=O)N1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CC1 1741058988 WNOPEZVWKVPHAN-IBGZPJMESA-N 463.608 0.474 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1ncn(C)n1 1741675088 OIBFBUCWQWBNPE-UHFFFAOYSA-N 452.498 0.930 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCOC1 1741938410 IONSSWVLFLLDPQ-WMZOPIPTSA-N 474.591 0.908 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1777735446 GBRIXFLKDKJDLH-WZONZLPQSA-N 452.515 0.327 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104180 GXTHRYKQQRDHAK-BDOWQFIWSA-N 497.593 0.587 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1779105279 BXXFKFHGKDPKER-KJTYKZCZSA-N 460.466 0.841 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1 1780779507 USYJVFYNFHZWOI-YBJWPOLQSA-N 481.590 0.814 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](C)ON=C(C)C)C2)CC1 1780804871 ZDLHGKMWJGXSED-KKLQWCBXSA-N 465.595 0.465 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1781294302 KAQJSZZUYDHWAS-CPJSRVTESA-N 493.649 0.923 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(C#N)ccc5F)C4)C3)CC2)CC1 1781965714 SWFGLLYUBIQQLE-HSZRJFAPSA-N 455.534 0.921 30 20 JCED COc1cccc(-c2ccc3c(C(=O)N4CCO[C@@]5(CCN(C(=O)C#CC(=O)O)C5)C4)ncn3n2)c1 1783562832 RMYSUZRPJZISOC-RUZDIDTESA-N 489.488 0.936 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1783835308 FBVLDWKQHJCTCK-IIBYNOLFSA-N 486.591 0.448 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(c4cc(OC)ncn4)CC3)[C@H]2C1 1784242233 FCBPGRZKDGXTKH-VMXMFDLUSA-N 485.585 0.720 30 20 JCED O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1785216947 TYYYQNQCMZYAQQ-WDSOQIARSA-N 459.503 0.470 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)C2)C1 1785320737 GPECIOLRWREFTR-GLXXVIDCSA-N 496.630 0.931 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785328317 AMGVTLDCIIRXMI-MRHSLFKSSA-N 486.573 0.254 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1785572068 HJKKZZISQPCZOG-UZUQRXQVSA-N 459.499 1.000 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)C4)C[C@@H]32)c(C(F)(F)F)n1 1787198301 UTLCPECKUMOEPV-APYUEPQZSA-N 465.432 0.701 30 20 JCED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1)C(=O)O 1787198773 ABRHLLNVEHZZIH-KSYCFECVSA-N 483.447 0.628 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)nc5cccnn45)[C@H]3C2)cc1 1789196967 JMAWWNKGSXQVSI-ZJOUEHCJSA-N 472.505 0.797 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1789848790 QRHJNXLUYFDLHH-QAETUUGQSA-N 466.535 0.726 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1789904567 YQLXOPNDIABTKS-FJIDUMEYSA-N 477.566 0.512 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1792266082 XRFCAVOPJVHNLG-FRMKIJSPSA-N 461.515 0.452 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1793088968 WAJBWHNYQOADAS-QXGSTGNESA-N 471.514 0.668 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccnn1)C2 1793599552 ZLFOVMDXMFCBMS-UYTYNIKBSA-N 462.551 0.898 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1793819161 SQMSTSYNXLHZIU-CCWDJLKJSA-N 453.586 0.749 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C)NC(=O)OC(C)(C)C 1794232204 VAAVRBIRKHQNLM-YYAJDYIMSA-N 462.551 0.878 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(F)c(C)nn1C 1794497716 IVYMCEMOORYHEV-KYHPRHEASA-N 477.537 0.987 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795996866 KFFGIFNTBWKEKI-OVZMXSCWSA-N 453.421 0.687 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1797121606 QYLPKEWGBBTTJF-RVDAZCDBSA-N 463.575 0.997 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC(=O)c2cnccn2)C3)c1 1798578396 KGKUCIDHYKDHLQ-HEFCWWFNSA-N 478.509 0.379 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694930 PBLLPMQATGIBHU-OJKAZFDUSA-N 487.557 0.850 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)N1CCN(C)CC1 1799183629 GGXZFIIXXAVIDK-QMIRBCPMSA-N 460.600 0.713 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2 1799232413 GVMFLWJZMPTYEY-AXVVYFOYSA-N 464.563 0.538 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N(C)CC 1800170405 KGTHYPNRNAJLBU-OYSTVDSJSA-N 450.580 0.833 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2c(O)nc(NC(=O)C(C)C)nc21 1800345638 ZHZIWHRLESQKRL-HGKCTWBKSA-N 497.556 0.520 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800390082 UQWQHXWDWSUKDE-RZFLPCETSA-N 485.603 0.623 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C2 1800451150 YSMIYDOVEBPOBY-DFGXFYAUSA-N 480.562 0.627 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCc1ccc(OC)cc1 1801105966 DZYXAXCXBKBWGA-KALPFLKPSA-N 457.527 0.660 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc(N2C(=O)C=CC2=O)cc1 1801868957 OZHFEICEKTVFAI-CIIYVVKOSA-N 496.520 0.848 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2)NC(=O)OC(C)(C)C 1801931270 ZRUPZZSMCPGSRG-KYHPRHEASA-N 452.552 0.524 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801979519 VPAYGHNSTOSSHQ-WQURWTOISA-N 496.630 0.932 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1802114725 QTEBCMILNFBIHT-ROYQGRPPSA-N 472.542 0.924 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)NCC)C2 1802139875 VUFAZHXBACALKX-RTLBGIDLSA-N 493.605 0.753 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)[C@@H]1c1cccnc1 1802476322 HJYLCMLMLVVUFZ-PLKRASQRSA-N 476.537 0.771 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c2ccccc21 1812877608 NJHLTNOWAJTOFZ-SBUREZEXSA-N 461.478 0.529 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)NS(=O)(=O)CC)n[nH]1 1815164080 IEBMYDBDLCJKEO-WGCVJFFOSA-N 466.564 0.588 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCN3C(=O)OCc3ccccc3)C2)CC1 1828990855 XCIYEYDDEXIEHR-DFBJGRDBSA-N 496.568 0.335 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1829260727 DSTZEOSLZYBRBP-YKSBVNFPSA-N 454.527 0.986 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)cc1 1829631577 LLOXLXKPYKIANM-QHCPKHFHSA-N 451.483 0.757 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1830887373 ZPQNSMQQQAAULG-SBUREZEXSA-N 476.530 0.325 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1831403007 VEIUUMQZZMRYTJ-WZONZLPQSA-N 465.547 0.350 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1831999774 CECKDAHLFSGUHX-MIVHDCIWSA-N 467.563 0.683 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832920827 LHXYDISIEDDZEW-HXOBKFHXSA-N 493.561 0.846 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833114474 HKGZOOONASJUQP-CYFREDJKSA-N 489.573 0.945 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834715285 OCRKIXGKFKHGCW-UHFFFAOYSA-N 458.563 0.960 30 20 JCED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1)C(=O)O 1834738438 FRBYNIQOPJHLCN-NRFANRHFSA-N 455.559 0.735 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1835681385 XZCHMZUYKFRBTC-HSZRJFAPSA-N 469.546 0.010 30 20 JCED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)C(=O)O 1835752188 OUEPYGHCGNKGRA-AUSIDOKSSA-N 458.515 0.010 30 20 JCED CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835753581 YOGFAALNZIUNHL-UHFFFAOYSA-N 477.675 0.741 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)c4nccnc4C(N)=O)CC3)CC2)c1 1836050393 PYDNQYYMGIIOOH-UHFFFAOYSA-N 450.503 0.274 30 20 JCED N#CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(-n4c(O)nnc4O)cc3)CC2)CC1 1836131174 LHZQRIYNGHUJTR-UHFFFAOYSA-N 453.503 0.777 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1Cl 1836227418 YZCZFWQKBFGOLM-NRFANRHFSA-N 466.970 0.977 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1837394998 NIVNAUHKYAOMBZ-MBSDFSHPSA-N 460.531 0.683 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440786 YCNVLDSBEPOTKS-FWXZJNEGSA-N 493.605 0.924 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443484 CCISZKOTVRNKSB-HQGJICSSSA-N 458.563 0.810 30 20 JCED O=C1Nc2ccccc2/C1=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837443972 OCDHQAKMGOGMCV-CTGOYODGSA-N 481.553 0.950 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)n1cccc1C=O 1837527024 ILRVUQLRXRGBMG-MGAYMBGMSA-N 476.530 0.847 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531425 MLOUKTMVODRUEW-PBRNYSIESA-N 476.534 0.262 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1837694556 MERXSMDTIKINDQ-SZNDQCEHSA-N 495.458 0.733 30 20 JCED NC(=O)[C@@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1837881832 QOWJARYXBYVKLJ-FQEVSTJZSA-N 462.591 0.276 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-c4ccncc4)[nH]n3)CCO2)C1 1838011570 VZUHCDSAPLCBJJ-DEOSSOPVSA-N 481.557 0.824 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c1 1838582523 QMIFYMLNQBORRV-WRAFWBCBSA-N 468.510 0.472 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)c4cccn4C)C3)C2)c1 1838583496 GLUGOILNOWYYDX-DEOSSOPVSA-N 466.494 0.858 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)C3)C2)c1 1838739040 JJXZQDPYPISZDN-NRFANRHFSA-N 455.427 0.884 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)CCO2)C1 1839036102 QPYRISMNVIGGRJ-GGUMNFRJSA-N 475.517 0.439 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1839174494 GGKAUFDIOZPHEX-JOCHJYFZSA-N 489.554 0.853 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1839175289 ZQQUDUDQGPCGGR-QFIPXVFZSA-N 480.587 0.917 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1839225901 YGFUWEJJNOZCJS-XDHUDOTRSA-N 487.557 0.748 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)c1 1839420799 FOLWGOCXYVEMJE-IBGZPJMESA-N 473.379 0.873 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1O 1839473151 INLVDAUOBCCWGI-FYWXSZBBSA-N 487.557 0.892 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2ccnn2)CCO3)c(C#N)c1 1839710685 ONGGVOSUXXRDPJ-UZUQRXQVSA-N 468.514 0.418 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839751919 YDEZQDAPLYQNTE-UZUQRXQVSA-N 495.577 0.118 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840010483 DUZNSHGMXMNZTG-CLJNILSWSA-N 499.630 0.643 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840045062 PBJNGOMKVOYFQS-RPWUZVMVSA-N 493.557 0.568 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnnn4C)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251570 MAFQSFWTOLFCJL-SBUREZEXSA-N 490.561 0.451 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 1845137286 DKUGJYKGYSQGBH-INIZCTEOSA-N 493.561 0.795 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1C 514332254 UNDJTYDNOMDLOY-UHFFFAOYSA-N 463.943 0.917 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522535815 IVCQLSBLMJRDNM-UHFFFAOYSA-N 489.604 0.090 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCN3C(=O)CNC3=O)nnc12 594605141 INHAIXSESCHHKK-UHFFFAOYSA-N 455.500 0.380 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3O)CC2)cc1 604510504 BJPLOJYFZLMJDW-UHFFFAOYSA-N 450.498 0.058 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 616901636 WJMTVRWJVNWKMX-UHFFFAOYSA-N 464.525 0.965 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)C1=O 726043061 QXCBTFNEPUELGI-JTQLQIEISA-N 482.371 0.899 30 20 JCED CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403727 MOVJKSCRNFGQQQ-HLGQQVFSSA-N 481.600 0.329 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCS(C)(=O)=O 729675232 WACBHSMXOTXRFD-UHFFFAOYSA-N 453.973 0.635 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc(C)c(C)c2)CC1 838628917 FZZMJXUTKOYDDO-UHFFFAOYSA-N 476.606 0.917 30 20 JCED CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915383230 GABDOMFRZDPXDJ-UHFFFAOYSA-N 455.471 0.875 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3nsnc3N3CCOCC3)CC2)cc1 917217402 MCEYRJVSIOHRPF-UHFFFAOYSA-N 478.556 0.158 30 20 JCED CCN=c1nc(NCC)nc2[nH]nc(SCC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)n12 917513748 VANZZYDMFVBDGM-UHFFFAOYSA-N 497.589 0.983 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 918172834 JDDHNJCNBVTPFX-UHFFFAOYSA-N 475.592 0.522 30 20 JCED CN(C)C(=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1314628547 OYDZKXLXAUTMFR-KKSFZXQISA-N 497.597 0.702 30 20 JCED Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1465483005 KVXQOQPVUZPLNY-UHFFFAOYSA-N 450.542 0.470 30 20 JCED CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1596431137 LTCNAOQGVRGRTR-IBGZPJMESA-N 457.560 0.957 30 20 JCED CCc1nn(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(=O)c(C#N)c1CC 1656276401 LMZFYGMQJYCPBA-UHFFFAOYSA-N 457.556 0.914 30 20 JCED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1659460308 LTXFGOGBQRLFJH-GASCZTMLSA-N 458.562 0.227 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1692538493 JYFXBPODUVANGI-QGZVFWFLSA-N 463.608 0.950 30 20 JCED Cc1ncc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)s1 1693380679 VYAYJYLTIUKWCG-WFASDCNBSA-N 450.594 0.878 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1698049175 LQLQTEQBLYRIIQ-WMZHIEFXSA-N 453.547 0.820 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)c1 1729736198 JZBXDVZDVNUPDB-GOSISDBHSA-N 486.602 0.549 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760374760 XIDBFXLFMHQPNQ-OAHLLOKOSA-N 469.955 0.020 30 20 JCED CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)S(C)(=O)=O 1765213612 UUIDLILVFMODPN-UHFFFAOYSA-N 489.602 0.783 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CCN3CCCC3)nc2)C1 1778141163 WMWPDRMYPSZLQA-PXDATVDWSA-N 468.554 0.935 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1779689644 VXPGNHAZTCFFDL-HSZRJFAPSA-N 451.531 0.993 30 20 JCED Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc(C#N)c4Cl)C3)C2)c(=O)nc1O 1780192962 JUEUSWKVXJLCHZ-QFIPXVFZSA-N 471.901 0.926 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c1 1781147694 LAEQOYFXUSOUGG-PMAPCBKXSA-N 453.499 0.592 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1782892903 BLHOVARFXPXURD-MCFFVMPBSA-N 486.635 0.896 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)CCO2 1783046860 WSWPAKFSYIFPAY-CLOONOSVSA-N 490.601 0.550 30 20 JCED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1783170241 MMDARISMFMOHHR-MZNJEOGPSA-N 486.594 0.769 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565242 KCUBOHISBLQHAA-CVDCTZTESA-N 487.513 0.162 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C(=O)OCC)C2)C1 1783663825 OPUDAOSJXGAABQ-SEPYTNNBSA-N 463.531 0.496 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1783687086 PQMIICRXMWCEMI-XMMPIXPASA-N 493.532 0.837 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1783918920 UWXGEWXLDXROQV-SZMVWBNQSA-N 458.902 0.223 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1785573477 XALVONAAMRQIIB-ZHRRBRCNSA-N 461.519 0.667 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1 1787395604 SODHZEKRMFVQDP-XSLAGTTESA-N 483.562 0.361 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787493663 ASSCCMFPNFLTLV-FXNDRQMZSA-N 461.544 0.481 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1)C(F)(F)F 1788705957 HNYNDMYHXBYEFN-YXWQFLTLSA-N 455.437 0.693 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4[nH]cnc(=O)c4c3C)[C@H]2C1 1789176639 KEOTUNZMFWPMID-LAQRGFTBSA-N 458.519 0.725 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1789838627 DCQUAXRGWSHGAN-XSLAGTTESA-N 479.578 0.331 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(n4ccnc4)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1790793369 AQIRIZCXXRVTRS-GSRZOBFVSA-N 471.558 0.832 30 20 JCED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792272140 IQQHSYYLIIHIJY-VJANTYMQSA-N 478.590 0.928 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)c1 1792697729 OWGVOVLSLXYQDX-LYSWYGNBSA-N 462.572 0.765 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC13CN(C(=O)OC(C)(C)C)C3)C2 1793347379 CAHWJVQJRUEYGH-UJWQCDCRSA-N 461.559 0.871 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795084495 YYKVAMSRUIKAKV-FSNPWBFUSA-N 478.546 0.536 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O 1795773041 BTFLUYQYVCFNFI-NYUBLWNDSA-N 474.558 0.907 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1797744106 MVBDYHOZCOVNDF-DDZPXRNESA-N 472.571 0.801 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n1 1797909710 DMQDWWJLPPMPNB-MDUKNCKQSA-N 475.546 0.405 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1800202657 ZCWWFYUPVROEOW-VWNVYAMZSA-N 468.554 0.488 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2)c1ccc(O)cc1 1801055433 ULQUCLBLTNZQJN-KSYXXAMZSA-N 464.522 0.736 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801445848 ITGNGNYILBKECL-FLXSYLCISA-N 490.630 0.087 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)cc1C#N 1801848725 HTZFSGFINSICOB-UPHUGPLXSA-N 491.508 0.593 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccnc1)C2 1802125234 QTMKOVWKCMSVTI-UJWQCDCRSA-N 459.547 0.950 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1)C2 1802139930 QONHUNUVCKINEA-XSDDWTICSA-N 459.547 0.942 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)[C@@H]3c3cccnc3)c2c1 1812068683 BLOXPBOAAGGKHC-KSFYIVLOSA-N 486.492 0.701 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814813377 HAQAYOWZHJDOGI-VNHYZAJKSA-N 492.602 0.565 30 20 JCED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1820970076 WERARUDETURKHE-BXUZGUMPSA-N 456.467 0.643 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2)C(=O)C(=O)O 1824673092 COAWHIMVNTXFLW-HMASQMOLSA-N 450.521 0.070 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CC2 1825675742 ZJPIFESGWBEMMG-CYBMUJFWSA-N 464.459 0.886 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCN2C(=O)OCc1ccccc1 1828935852 MMNHWVWFPXGCER-DEOSSOPVSA-N 454.527 0.940 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)cc1 1829628232 MWKFMGCNRAOHQN-QHCPKHFHSA-N 451.483 0.757 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628285 ODRPNOXDMZIOQM-JPYJTQIMSA-N 477.583 0.628 30 20 JCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)CC1 1829695021 XHPQRILUIKAKNZ-GOSISDBHSA-N 467.482 1.000 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3cnn4C)C2)C1 1829766355 UQVJMADAZNXKRP-IBLIISRWSA-N 467.526 0.502 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5ncccn5n4)C3)C2)cc1 1829903370 RFTKLSKSUOJSEB-DEOSSOPVSA-N 460.494 0.914 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)cc1 1829903951 GKYZLXHSFZNENZ-VWLOTQADSA-N 488.504 0.274 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352430 ISTJYVJKBUXQHU-QHYAIYAISA-N 493.626 0.577 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830470258 RNCNTJRSRNTDTH-QFIPXVFZSA-N 479.002 0.632 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CCC(C(=O)OC)(CC3)CC4)C2)C1 1831393572 YHEYPBRTWPAVEJ-NEIOHBCSSA-N 476.570 0.995 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832155658 HUPIFEBAEXFWLV-ZWKOTPCHSA-N 450.458 0.038 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832493896 WPCXAOHALQBUBA-KIEWMECHSA-N 471.510 0.141 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnn1C)CCO2)NC(=O)OC(C)(C)C 1833239008 MCOAUJHCJZTJJR-GAJHUEQPSA-N 492.577 0.745 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)CC2)CC1 1833466935 VFTUSVNULWVCNM-RBUKOAKNSA-N 469.586 0.810 30 20 JCED C=CC[C@H](CC(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1)NC(=O)OC(C)(C)C 1834679891 UTHFPBKHFHFSDL-GOSISDBHSA-N 493.653 0.901 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835145045 PVWNDNVOGIUFIQ-AUSIDOKSSA-N 480.583 0.898 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1835349539 ITVCSBWMELJUHC-HSZRJFAPSA-N 460.552 0.502 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674596 AEIDGZPZGLDZTO-QFIPXVFZSA-N 451.568 0.031 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1)n1cnnn1 1836520549 LPXAZUZYUYRMIQ-UTXAPGEGSA-N 460.516 0.191 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837291771 QDMJKTXENKZLDP-VSDWSMLSSA-N 459.499 0.769 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837380180 HVJDZQWERSXKTL-OSPHWJPCSA-N 487.557 0.273 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1837444192 RHNQAOVQIDEKRC-DHNIJCFSSA-N 460.535 0.207 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO3)c(O)n1 1837694482 DBPLRLJFMMXDCW-MZNJEOGPSA-N 472.542 0.667 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](COC)NC(C)=O)CCO2)C1)c1ccccc1 1837732450 YLLVZHPGDZSPJU-FXSPECFOSA-N 485.581 0.791 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)no4)CCO3)C2)c(O)n1 1838103643 PZNOKFACPNCIER-JOCHJYFZSA-N 458.471 0.983 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4cncn4)C3)C2)c1 1838583554 IGTNDMZWYASOFT-ZHRRBRCNSA-N 454.487 0.490 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838628851 ZWZFPLGCDKBGEO-HXPMCKFVSA-N 453.473 0.712 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839203981 CRFHZRZPAVDFBQ-HTAPYJJXSA-N 453.536 0.132 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839364121 NGSWOBTTYMBZKB-PKTZIBPZSA-N 459.499 0.438 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1839880110 GOEGHIPZZZNHOH-VUMVONDWSA-N 496.605 0.827 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4C[C@@]45C(=O)Nc4ccccc45)CCO3)C2)CC1 1840016974 IYZGKPOBVGXWIP-CQLNOVPUSA-N 450.495 0.657 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840017545 RROXYIPUARJGOY-LZQWRSJTSA-N 483.565 0.926 30 20 JCED CCCN1CCN(c2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2)CC1 1840044801 YJNJGSRQTSRJBL-SANMLTNESA-N 498.580 0.377 30 20 JCED CC(C)[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1840107842 MIIQBFUNYCXFBM-SBUREZEXSA-N 481.546 0.470 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC)CCO2 1840140400 YKYJUQYRLCCVOG-PMYJSFHQSA-N 475.542 0.057 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840157222 IJBLHZXNWUTDCQ-BTYIYWSLSA-N 455.577 0.938 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840799710 KSJXQYSNABIHSO-VWLOTQADSA-N 485.585 0.545 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(N5CCOCC5)cn4)C3)C2)CCC1 1840813209 MQLCKNXWJHAHGC-DEOSSOPVSA-N 469.542 0.682 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ocnc3C)C2)C1 1840906747 JBXKBAJRRRHLQG-UZUQRXQVSA-N 476.530 0.970 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1840908155 BTIXKPZIBYJBLU-AJGMTHFWSA-N 493.601 0.911 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1841597954 FCAWLJUEMJORKX-AQBTUVFDSA-N 469.604 0.890 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2 1841598642 UIKYRRYMBMGDRL-SFHVURJKSA-N 467.563 0.786 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1841745663 APQQESLUFRZQRE-OAHLLOKOSA-N 472.546 0.913 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1841746610 UUDAHSGZHKYBMJ-ZDUSSCGKSA-N 472.506 0.099 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)C1 1845107392 ZIIZUIMVWBJLKF-BYVWSJJGSA-N 480.562 0.947 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C1 1845223222 AVMZBPMUBXIZOR-MRXNPFEDSA-N 453.536 0.975 30 20 JCED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CN(CCO)CCO)C3)ccc1Br 1845459060 ZNFRYRUZMARPNT-UHFFFAOYSA-N 465.348 0.424 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3)c2)n(C)c1=O 15224650 ZJYBPFJMHJHONN-UHFFFAOYSA-N 487.542 0.323 30 20 JCED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 26016614 BFKJOSJHOPFPFX-AWEZNQCLSA-N 481.556 0.363 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 26488510 WWIPQLDEAQYQNW-UHFFFAOYSA-N 499.553 0.517 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C2CC2)CC1 514491001 ITCQFGXZDYOQAI-UHFFFAOYSA-N 468.579 0.929 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCNS(C)(=O)=O 524281944 HZEGUTGEORCPSF-UHFFFAOYSA-N 490.651 0.858 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(=O)N(C)C)c1=O 604533093 GFQOTYKIWMHEKB-UHFFFAOYSA-N 499.549 0.430 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 726577546 RFXGAHPCNSTRSY-UHFFFAOYSA-N 470.514 0.873 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(OC)nc1 726962046 OWTVBNFTYWIJAT-UHFFFAOYSA-N 496.593 0.910 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)CC1 728570979 RHHSIXSACIIBGB-UHFFFAOYSA-N 453.587 0.093 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nc1 729011646 AAZUZLOWFNWKSA-UHFFFAOYSA-N 477.477 0.792 30 20 JCED N#Cc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 746552492 KILPJOBQMSBNEO-UHFFFAOYSA-N 470.507 0.823 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccc2c(c1)OCCO2 913300717 UUSWAVNJCMWQJG-HNNXBMFYSA-N 473.507 0.898 30 20 JCED CSc1nc(C2CC2)cc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 919986340 GRLAUKJZNFGFKE-AWEZNQCLSA-N 484.625 0.827 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(C(N)=O)cs2)CC1 920603075 XNVBJYGYIXMOLJ-UHFFFAOYSA-N 462.509 0.409 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1519531206 USZPQXGCQRKHSD-SFHVURJKSA-N 478.600 0.866 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1 1541116116 JVXKFXUJOUHFLL-HUUCEWRRSA-N 476.650 0.155 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1589404519 KDQLJOGIHAEQLF-GFCCVEGCSA-N 462.370 0.560 30 20 JCED CC(C)(CC(=O)N1CCN(c2ccccc2)CC1)NC(=O)CCn1cc(C#N)c(O)nc1=O 1623897303 MFWCRXRFDXNLNQ-UHFFFAOYSA-N 452.515 0.844 30 20 JCED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1698298939 WPMDFBKJFGCCEO-FUHWJXTLSA-N 478.600 0.722 30 20 JCED CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1710897598 VPEQCAFFKZLNHS-UHFFFAOYSA-N 474.591 0.554 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1711415778 ZIFXVPBFFCWOFL-UHFFFAOYSA-N 488.574 0.226 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 1722479600 KFNJWOIXFGUICS-GFCCVEGCSA-N 464.390 0.648 30 20 JCED C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)S(C)(=O)=O 1722875823 NYPLDKPPARKHKY-CVEARBPZSA-N 460.560 0.933 30 20 JCED O=C1COc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)cc2N1 1778574547 JNZFBKNZROIZFH-LUJGBRIASA-N 472.498 0.990 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778910117 HJBPTNLITSATQW-DCLXLUIPSA-N 464.607 0.238 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1778979785 PUDSQCBBVUVXBW-QQMNAOGKSA-N 469.579 0.665 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1779136378 KWCYLNLAINDPHK-YVABFXQFSA-N 474.539 0.782 30 20 JCED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(F)c(C#N)c2)C1)C(=O)O 1780756747 RYZADXWZHUQRNL-YCRNBWNJSA-N 460.506 0.816 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CCN4CCOC4=O)CCO3)C2)c(C#N)c1 1781172753 WIBXWEHQCDIESY-HSZRJFAPSA-N 456.499 0.782 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CN3CC(=O)NC3=O)C4)c2c1 1781204121 NKOZMBWVPIPEJC-UZUQRXQVSA-N 479.497 0.114 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)ccc1F 1781300769 DUEJSLLTAIIWFM-QFIPXVFZSA-N 453.430 0.872 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781373206 ZQFXUBDTPBQOLK-DGGJZMOXSA-N 462.547 0.354 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786846 HSWVPGKGNSSOOU-ZISMNVMJSA-N 477.474 0.115 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)cc1 1782786903 GUJPAWIURPXYDM-JOCHJYFZSA-N 451.439 0.772 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782960001 CSZWROUMSTVPTJ-PNLZDCPESA-N 483.587 0.310 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783189748 BRNFMHHSRVEPGA-HTAPYJJXSA-N 450.536 0.259 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1783466015 UGXOQVOOULUGGN-SXVTUYLSSA-N 461.559 0.968 30 20 JCED CC(=O)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783782495 WQXMSXKYAHHZAD-VGSWGCGISA-N 486.635 0.944 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1 1783919033 YUSGYXKMRINFKU-LQJIQPLVSA-N 482.002 0.999 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C[C@@H]21 1784477832 ONCIATPJAWSBHH-HQMSXXKGSA-N 481.549 0.620 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1784531591 NMJWZEYIDAZCIP-SXKCCIOGSA-N 489.642 0.956 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CC1 1785373070 RLFOLPOPPYTJGA-QHCPKHFHSA-N 463.579 0.967 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1785383337 LQMADFOEILZKJS-QHCPKHFHSA-N 481.465 0.537 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1785452549 PTGCYXVHYWABKQ-AYCLBZBQSA-N 486.544 0.561 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)n(C(C)C)n3)[C@H]2C1 1785715296 MPFRLEBJIXKXCC-GRNXDFJHSA-N 473.530 0.614 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786693446 YLJNJJHJMAIVSG-HTDHLNIYSA-N 454.527 0.449 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC)NC(=O)OC(C)(C)C)[C@H]2C1 1787469890 KFFYPOZXJXVZPJ-YSMJTFFMSA-N 494.589 0.364 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)no1 1788601763 WPSFPVWIJPTGNO-HMRXFYLZSA-N 460.535 0.763 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1788776758 JMXFXEFZPDJZND-IWFBPKFRSA-N 458.515 0.068 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(Br)nc3)[C@H]2C1 1789680050 USJGMFMYJGDFPY-KKUMJFAQSA-N 450.289 0.454 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccnn3)[C@H]2C1 1790644088 NNTVPKFBKKDPMH-SPOLIRPYSA-N 474.562 0.735 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1791287518 SQSUDEPDCPKRDN-JUXWZEJHSA-N 461.490 0.835 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792108946 IEILZRCRBWFGSJ-VMXHOPILSA-N 495.621 0.418 30 20 JCED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2cccc(C#N)c2)CC1 1792832187 XDILMMRACOGOPN-BRTYFSMRSA-N 467.570 0.245 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2 1793597676 RTQIDSHUDDACPY-RHQZKXFESA-N 482.578 0.197 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1794154048 JWPQASIWZBTKSZ-HPNQWNLUSA-N 486.525 0.195 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CS(C)(=O)=O)nc1 1796537715 BHZDBUJDPFOKLW-QLYPLZBHSA-N 460.556 0.736 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)c1Cl 1798589782 XUWJOUFGSDYADR-USGNIVHTSA-N 456.886 0.730 30 20 JCED Cn1ncc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)cc(Br)cc21 1798616840 YDGUFTHEQCHZAU-SLAYPKMVSA-N 475.299 0.627 30 20 JCED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1800495377 KHJCRADTUAQRSH-UGNRZPKXSA-N 478.590 0.868 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1800736788 SLWXQXVRXJNCMR-XETNVZRVSA-N 489.617 0.971 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2)C(C)(C)S 1800906792 HAMIXTKIOHETRO-DLTLXFJOSA-N 472.608 0.443 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1802128067 XNTBDCIYBCESKS-WQDJSCAQSA-N 482.541 0.849 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2c2cccnc2)ccc1F 1807192803 CGQJANIPHTXAQI-HCLVMJGWSA-N 466.517 0.934 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1 1810355481 BDKZVDHZKHLJCL-VKMSGLDOSA-N 459.547 0.949 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1825706665 OQXJWGZQASGDEB-YPMHNXCESA-N 494.526 0.600 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cncn3)CCN2C(=O)OCc2ccccc2)C1 1829013236 OXYZBCDDDDLVFR-CPJSRVTESA-N 494.552 0.769 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnn4)C3)C2)cc1 1829908097 YCIVCTIFBNHDJW-HSZRJFAPSA-N 451.483 0.426 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)c1 1830460138 AFWBRXGMOAXBPX-JYFHCDHNSA-N 477.565 0.912 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(c3ccccc3)CC1)CCO2 1830615024 VVWPAWCBIQYPDS-DEOSSOPVSA-N 455.511 0.447 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)nc(OC)c3)C2)C1 1831397285 WRLJDSAGAZOWRG-QVKFZJNVSA-N 451.907 0.852 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCNC(=O)OC(C)(C)C)C2)C1 1831402780 RGPVFJGJEWUNOW-MBSDFSHPSA-N 467.563 0.786 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)c(O)n1 1831454372 OIALLOJBEHIPEV-GAJHUEQPSA-N 495.598 0.657 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832162729 QWAMWNPYROGYLM-QZTJIDSGSA-N 452.426 0.266 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccc(N(C)C)c3)CCO2)C1 1832526444 JFKYKUYLUHTHOG-DVECYGJZSA-N 459.543 0.626 30 20 JCED COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1832579445 RHBQRFHQIJESDH-HSZRJFAPSA-N 453.499 0.993 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1833466520 HDJIKITXRNWTCC-OXQOHEQNSA-N 466.579 0.439 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)OC)C3)C2)c(O)n1 1833700028 OFEATFRZRJDPHV-QFIPXVFZSA-N 462.503 0.332 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)c3ccccn3)CC2)CC1 1834715161 HKFVSSJSCBZZEL-NRFANRHFSA-N 455.607 0.935 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834850516 CNGMIOUOOXDWLV-GAJHUEQPSA-N 483.562 0.865 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CC(=O)Nc3cc(C)on3)CC2)CC1 1835108509 RGYSJOMWNQPSDC-KRWDZBQOSA-N 459.547 0.922 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)N1CCN(C)CC1 1835768019 IKQZEIYXXULOQA-FRZCXGKDSA-N 492.665 0.723 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836052129 PAMXKYWDZDKACR-RUZVDQEXSA-N 461.519 0.395 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n(-c2cccc(=O)n2C)n1 1836259407 AFYKFPGHGWHBLT-OPAMFIHVSA-N 475.571 0.268 30 20 JCED N#Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(=O)n5[nH]nnc5n4)CC3)CC2)cc1 1836287024 BVIQZLSVKCJBQZ-UHFFFAOYSA-N 475.513 0.183 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1836864411 GAXYIFKJXYWGPJ-CQSZACIVSA-N 459.507 0.016 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C1\C(=O)Nc3ccccc31)CCO2 1837321250 KLHVPUJVSZAHST-GRDLIITFSA-N 480.521 0.337 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1837394991 NFNPZERLYNZQSM-XMSQKQJNSA-N 481.571 0.128 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1837396441 GXHAEGDOGABFCW-DVECYGJZSA-N 469.542 0.910 30 20 JCED NC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1ccccc1 1837442391 WXNCMRGVKSIXTN-JOMCSANGSA-N 457.575 0.657 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1837489282 BSACDAUZLRPURI-XMMPIXPASA-N 459.518 0.918 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1837526758 GCJYXEMVUGTXFJ-JMQQFMRHSA-N 464.475 0.092 30 20 JCED CN(C)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561250 FFCTYFQDRIZADX-HQQBKKBHSA-N 455.515 0.930 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)nc1Br 1838378772 HVRVKSNTYVRTJQ-IBGZPJMESA-N 482.287 0.011 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838595725 ZMTYBLDWVYITMY-NRFANRHFSA-N 463.922 0.553 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838791464 AOIWEIAATRRKBI-YJMIJIGASA-N 480.525 0.196 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCn1c(O)nc3ccccc31)CCO2 1839040839 RHTFOKYTJCQVTH-HSZRJFAPSA-N 470.482 0.067 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1839185369 XSASAODMSZFOHY-QMHKHESXSA-N 493.561 0.178 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)N1CCN(C)CC1 1839187732 SNMDMABGYVEGED-UQBPGWFLSA-N 487.576 0.332 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839622750 RVHQZADYSUIYRV-MBSDFSHPSA-N 476.578 0.590 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839637129 XUWLIKYQHDBEDM-HOFKKMOUSA-N 494.592 0.908 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840008292 FEEZFYCVMNXAIB-HOYKHHGWSA-N 492.573 0.630 30 20 JCED Cn1nccc1-c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)sc1Cl 1840041796 ISNXEXBEVYGESV-OAQYLSRUSA-N 492.941 0.960 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840142833 ZQXKOESONPXBOC-OVFAMLIDSA-N 493.557 0.727 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1840158802 QFQAMMOTQXTOFV-UZLBHIALSA-N 456.586 0.625 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1840168089 FZZBRYHFDPEMJW-XMMPIXPASA-N 454.527 0.600 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1)c1ccc(O)cc1 1840220164 AKPJYRYZVQDPOI-RDPSFJRHSA-N 457.527 0.482 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840497093 HRKAXKSEYNUHFM-DNSLKSLXSA-N 462.503 0.315 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)cc1C#N 1840551709 KIZMHTDEHBXFCV-HSZRJFAPSA-N 493.582 0.850 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N1CC3(CCCN3C(=O)C3(C#N)CC3)C1)CCS2(=O)=O 1842809794 YKVSKWHLLIDUOX-INIZCTEOSA-N 492.598 0.918 30 20 JCED C=C(C(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2)C(F)(F)F 1846015760 JRGBYLSLGLJGSN-QWHCGFSZSA-N 460.478 0.488 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 1847259017 SOQPVXWLDFHHOB-HURQDBDKSA-N 474.583 0.722 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OC)c2)c1=O 489101814 XHJFGCUCCNJWNT-UHFFFAOYSA-N 470.595 0.670 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Br)c(O)c(OC)c2)c1=O 522284469 QFYLOZXOWFBFRB-UHFFFAOYSA-N 482.356 0.672 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 603792999 IIFWSGVRIJSNQU-UHFFFAOYSA-N 453.524 0.671 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(F)c2)c1=O 603796665 WCPBORNOSRDXEV-UHFFFAOYSA-N 458.559 0.656 30 20 JCED COc1ccc(OC)c(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccnn3C)c2=O)c1 608826621 FZMORKOPJRJSAG-UHFFFAOYSA-N 453.524 0.677 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(C(N)=O)cc1 608828481 WWMSSDOBZJCWSS-CYBMUJFWSA-N 498.511 0.930 30 20 JCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(OC)c2Cl)c1=O 609323425 LSWLODHKONCHAH-UHFFFAOYSA-N 451.932 0.866 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(C(N)=O)cc1 726576159 XLGKCISJHAPGJD-UHFFFAOYSA-N 494.577 0.004 30 20 JCED C[C@@H](OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CCC#N 728721689 WHIDUOAMEFJDDH-BXUZGUMPSA-N 462.322 0.392 30 20 JCED C=CCn1c(CCN2CCCCC2)nn(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1=S 798190898 RPWQAUVEJONMGB-UHFFFAOYSA-N 491.662 0.589 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)cc1 811831309 FCGKSNPWQUNSIO-HNNXBMFYSA-N 450.513 0.945 30 20 JCED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 856409736 YWOWPACNWVPTFC-OAHLLOKOSA-N 452.471 0.621 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CC(=O)N(C)C 918729839 KMFVZRMUOOROPX-UHFFFAOYSA-N 460.943 0.465 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2COCCO2)CC1 1288985833 DXBJKCVKYYCLOH-CVEARBPZSA-N 454.553 0.156 30 20 JCED CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C1CC1 1315196158 LVQLTJRISWLEDG-MAUKXSAKSA-N 474.591 0.907 30 20 JCED N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1505321237 LACOJRLNZVWMGT-CABCVRRESA-N 480.451 0.917 30 20 JCED C[C@H]1COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1512555231 LVCYCPJGTNDBIE-ZWKOTPCHSA-N 481.623 0.462 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1541945960 NTSJTDMBIOILCL-GQYSXLKBSA-N 466.589 0.544 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1617780637 QMMBFUQKGIKNKJ-SFHVURJKSA-N 488.570 0.601 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690342591 PVIWPYCIMHLRHW-HNNXBMFYSA-N 460.988 0.859 30 20 JCED C[C@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1692807856 FAXRADBEPVMFSA-UEXGIBASSA-N 482.607 0.671 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1723612284 KSCMGVYUZKUOIO-OPAMFIHVSA-N 454.535 0.549 30 20 JCED CNC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)c1 1769183678 ZTPBQYXEHNOSRA-KXBFYZLASA-N 486.602 0.473 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1779985812 SVBAHYORPRINMK-NSYGIPOTSA-N 477.521 0.979 30 20 JCED Cc1c(Br)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)nn1C 1780200806 AQCHBCKXNLCQNH-BFUOFWGJSA-N 467.320 0.707 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(OC)n(C)n2)CCO3)c(C#N)c1 1781174180 NNDUJOFBLFPVJV-HSZRJFAPSA-N 453.499 0.995 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1781310207 FAPKRIPCQPTZIJ-FHAGJXEFSA-N 484.553 0.824 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781561020 VEEFKEYZGLXNRG-AQOAWAETSA-N 460.487 0.309 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5nc6ncccn6n5)CCO4)C3)c2c1 1782194502 BGHOFNZESCAPJW-JOCHJYFZSA-N 457.454 0.630 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1782206249 ILNLPETXZILLKH-YFXJRYMSSA-N 464.559 0.815 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)ccc1F 1782676181 DDQKXGDNJIBYNH-JOCHJYFZSA-N 455.446 0.644 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782784121 OEOYURSUBURRDZ-QHCPKHFHSA-N 450.451 0.638 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)CC)C2)C1 1783091512 XUOHIODYBHWCCY-WAIKUNEKSA-N 496.561 0.601 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N1CC[C@]3(CN(C(=O)CC#N)CCO3)C1)CCS2(=O)=O 1783474893 KFNLRKFMFIOIGS-KKSFZXQISA-N 496.586 0.154 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC(F)(F)C1 1783561890 OIVMBEKAQHCORE-BTYIYWSLSA-N 485.484 0.797 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C1)CN(C(=O)OC(C)(C)C)C2 1783564708 CVCHWEOQUFRTON-HSZRJFAPSA-N 487.513 0.202 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783614354 XJJDKBMJKUXDNI-NDBKNAECSA-N 481.590 0.760 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784530690 GADQMXLAGXYLFH-JTSKRJEESA-N 462.551 0.968 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785321864 RLRAZADPXYKZDD-MFEFFIJZSA-N 463.531 0.988 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1785572265 LEDOOUPZQIWWDB-GAJHUEQPSA-N 464.563 0.648 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1785575011 WXKOQFHEFCKALH-IVZQSRNASA-N 475.502 0.248 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788125382 QIEUYHPOLOMUSG-VGWMRTNUSA-N 485.484 0.699 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4cccc(C#N)c4)C[C@@H]32)CC1 1788190781 RGKOJWXLJHULHI-VABKMULXSA-N 453.587 0.718 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1788573952 WWYMCCNOZVJDMM-VMXHOPILSA-N 483.606 0.815 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOCCOC)[C@H]2C1 1789950110 RAEUWIZTXCEKSM-CMOCDZPBSA-N 484.590 0.091 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1791144965 QODWSQGFSIOMOO-UFYCRDLUSA-N 467.563 0.356 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1793389443 UYOZDQZDQACSBN-WOUAJJJCSA-N 498.646 0.610 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2 1793600162 WTHWUYVXTZXOIT-JFMONLCZSA-N 452.552 0.570 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795078507 CSUHSLOGSIOKGZ-LORHWOILSA-N 458.519 0.678 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1799321365 ANXKGRXALYTHPF-BASYENTBSA-N 463.535 0.311 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773808 SXNASWVMOLWOJH-NYUBLWNDSA-N 486.525 0.195 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(O)c1 1800812608 BBNWJNODYHHIOT-NBMJBFSESA-N 458.515 0.907 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1802124875 MGUAOQLTDHOULP-AVEIZBFRSA-N 485.603 0.173 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806082495 HRTUQXQOSFSIJK-UXPWSPDFSA-N 466.542 0.914 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807354273 SEPZCQNLBVTUAN-LPHOPBHVSA-N 477.529 0.414 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)c(C#N)c1 1808167709 WBWQVUMYSULNRS-ZHRMCQFGSA-N 478.553 0.803 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1810361244 PGNZWXLGXBPAGF-VCEVOXRTSA-N 481.513 0.819 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1811187285 MFKXNBVEBQSPOP-YOZSFDKUSA-N 464.530 0.762 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2c2cccnc2)c1 1811536662 WVBKEKVXSRTKJO-BEFAXECRSA-N 457.454 0.646 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)COc2ccccc2C#N)[C@@H]1c1cccnc1)C(=O)C(=O)O 1814066150 XOFAIJPSEHRDQY-AVRDEDQJSA-N 479.493 0.581 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665487 PEQTVJTUTQIHCG-WCQYABFASA-N 466.516 0.683 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829309571 XRPJJBLRXOLHDZ-GAJHUEQPSA-N 455.515 0.877 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)C3)C2)C1 1829663430 LJYQYWFBGZDVHZ-NPMXOYFQSA-N 458.515 0.415 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)C1 1830428644 IDMTZODERHMIDC-HJPURHCSSA-N 477.583 0.542 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=C4c5ccccc5C(=O)N4CC3)C2)C1 1831397426 YAMVHUZEJHCDQN-QYBDOPJKSA-N 479.533 0.752 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CSCC(=O)OC)CCO3)C2)c(O)n1 1831439521 MVLCRASXAZIDJP-QHCPKHFHSA-N 493.582 0.882 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CNC(=O)O4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1831575749 FPBBLZSRRKJEBH-HKARXFIJSA-N 494.545 0.117 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832100591 AZIFTOILHNWNAO-QVKFZJNVSA-N 463.560 0.689 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1C)CCO2 1832463270 SMWYYRFWMHICAI-NKTLJPPGSA-N 482.581 0.358 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1832728401 IXZYUZXRUYNSEQ-VWLOTQADSA-N 493.520 0.462 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(-c4cccc(F)c4)n3)CCO2)C1 1833351992 JOHWTCDFKJDNAZ-UZUQRXQVSA-N 471.489 0.515 30 20 JCED CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)CC1 1834623075 CMYXXXDCWPNQSP-UHFFFAOYSA-N 475.682 0.477 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)O[C@H]2C1 1834767422 PZEGRQBSCSXTGU-PRHHBONVSA-N 478.546 0.381 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835142791 VPPXHIWHQJOAEF-JOCHJYFZSA-N 463.556 0.857 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835357328 SRTSZPVEBCWHBP-HRAATJIYSA-N 454.524 0.286 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1cccc1C=O 1835674265 HVDWXDYLZMEFFY-MBSDFSHPSA-N 459.547 0.600 30 20 JCED Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)C/N=C/c4ccco4)CC3)CC2)c(=O)nc1O 1835782386 GPDAUSKPFNHWHO-DHRITJCHSA-N 484.557 0.541 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)n3ccccc3=O)CC2)CC1 1835823535 ZBDCNSBVZJPSLX-QULHZPMSSA-N 469.586 0.839 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(OC)cc3C#N)CC2)CC1 1835844237 NVJJQKZOGQIKDS-XMMPIXPASA-N 499.612 0.832 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836321914 PMUBWOYWVZOBSB-LHSJRXKWSA-N 495.458 0.733 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836378524 LTVSSDALEREGRX-VGOFRKELSA-N 481.571 0.287 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837329408 CWXNMVBRGZJRRJ-QFIPXVFZSA-N 478.619 0.690 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1837445386 WCYJZUWKGPYOBE-XMHVBLFMSA-N 488.570 0.298 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1837530247 KBSJKCBUUNNWAK-QNRXVKNXSA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838165534 HCUCKTYAVHEEEJ-WIPYJQQXSA-N 468.457 0.959 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c([N+](=O)[O-])cc1O 1838601585 PISKZZMETHODQW-HXPMCKFVSA-N 455.489 0.697 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1839225693 QVYGWEYOEMGSCH-YADARESESA-N 489.573 0.789 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839274130 HGCHUBTUOGUIRJ-IGPUNGKJSA-N 475.502 0.842 30 20 JCED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486326 UAUUCMXQFPOIKL-RWAHWCJQSA-N 455.515 0.912 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nc2nccn12 1839549004 OWLXKQOMRIEVDB-LDVHSUHUSA-N 486.529 0.637 30 20 JCED O=C1CSc2ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cc2N1 1839577580 ZFERYJLPHDHBCU-QFIPXVFZSA-N 456.524 0.609 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839631472 IDIMPGWPVLMQPR-XMMPIXPASA-N 476.493 0.979 30 20 JCED CCN(CC)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839678401 WIOLAYDWTXVPFJ-WKYVHCBZSA-N 451.612 0.892 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)CCO2 1839697598 ZGTJMVOUGORWTJ-IYVNUVHRSA-N 451.545 0.847 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839891348 ABFRPYWZMYWCOC-KUHUBIRLSA-N 481.468 0.447 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840167105 XIWTVABRERUXNK-WAIKUNEKSA-N 458.515 0.253 30 20 JCED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1840320551 IXVYAFZSUAVDQG-LJQANCHMSA-N 485.419 0.398 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1840818743 VSEUUTGNAAJBNV-RUZDIDTESA-N 495.536 0.542 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C)CCO2 1840912543 LKTSDCOHDDCTJU-PIYXRGFCSA-N 491.585 0.951 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1840913466 ADKLTZLLONNSEV-JSMQRPJFSA-N 492.573 0.048 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N(C)CCC#N)CC2)c([N+](=O)[O-])c1 502312144 UBMAUGCEEFKAPH-UHFFFAOYSA-N 488.592 0.838 30 20 JCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 502447522 XQIFEPKBDIOYRP-UHFFFAOYSA-N 458.536 0.826 30 20 JCED C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccc(C#N)cc1 520424274 AVDUQKJEFAYMGD-CQSZACIVSA-N 455.496 0.495 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 608912680 URXFBMDRCYWDRO-UHFFFAOYSA-N 496.561 0.299 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 843758112 JRACUWNVKFYGBL-QGZVFWFLSA-N 477.587 0.335 30 20 JCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)C1CCN(S(N)(=O)=O)CC1 914898344 OANPCHKOSZLSOL-UHFFFAOYSA-N 455.537 0.410 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc3cccc(OC)c3o2)c1=O 917355681 LZTIJLINZLKFOZ-UHFFFAOYSA-N 494.573 0.802 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3c(C)nn(C)c3C)c2=O)cc1 917356080 GDKFGAMAXLRBHM-UHFFFAOYSA-N 481.578 0.914 30 20 JCED CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)N2CCSCC2)CCOC1 1296527094 NIFXWURJYJVYIA-VQIMIIECSA-N 472.637 0.905 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCS(=O)(=O)N(C)C)CC2)c1C#N 1511663521 SDFUZBKLGPOBPU-UHFFFAOYSA-N 463.612 0.608 30 20 JCED CC(C)(C)OC(=O)N1CCN(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1540753835 VZFQVQOEQUIICC-UHFFFAOYSA-N 451.549 0.505 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1555205110 VILNGZBQICNAJD-IBGZPJMESA-N 483.573 0.744 30 20 JCED COCCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555414603 UJTVTVGGRWMWMP-OALUTQOASA-N 495.650 0.850 30 20 JCED CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCOCC1 1611767217 JNPTXILGAJRHTI-GCJKJVERSA-N 495.650 0.852 30 20 JCED CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1618305204 YWAMNLNIXZJGQY-UHFFFAOYSA-N 483.573 0.779 30 20 JCED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCO[C@H](C#N)C1 1641707369 LCNYHSSJLVOSMC-MRXNPFEDSA-N 452.533 0.658 30 20 JCED COc1cc2c(cc1S(=O)(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)OCC(=O)N2 1668977860 SIUDYUKRNNFJGP-HNNXBMFYSA-N 456.480 0.977 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)F)CC1 1740821399 GEMXHAKCUVXDLD-CYBMUJFWSA-N 454.931 0.751 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 1779418136 ONCFNKPRVZKSSH-ZTIAMSAJSA-N 450.536 0.556 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2 1779429534 VPEOSLFYWRAYDE-DFABGMEPSA-N 477.518 0.604 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780244836 SFKVZMQULCMPSK-QRQCRPRQSA-N 461.519 0.683 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1781051646 YDFXURAQWVQKMX-JRRNWLSQSA-N 481.594 0.815 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)ccc2F)C1 1781103809 VCRCDKJTHAIMNS-SFGWALBWSA-N 462.478 0.889 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c(C#N)c1 1781172713 DKDAMYPWTRSVRR-QHCPKHFHSA-N 464.482 0.142 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781299213 ILVVIEOKUBNDHW-CVDCTZTESA-N 476.505 0.913 30 20 JCED Cc1ccc(-n2ccnn2)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1 1782015343 MFOMAYJVTQCMDL-AUSIDOKSSA-N 451.483 0.791 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3ccc(C(F)(F)F)cn13)CCO2 1783564449 JWSPTZFYRJFXFD-IBGZPJMESA-N 450.373 0.885 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)N(C(=O)OC(C)(C)C)C1 1784089041 WXBQKKJBFGSLTQ-NXMSCROESA-N 476.574 0.908 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)CCO3)C2)CCC1 1785366889 ROPVLWIYFPEHIM-QFIPXVFZSA-N 452.471 0.816 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1)[C@@H]1SC(=N)NC1=O 1785378706 MBPIBMDUHYOWGF-VELBRHGASA-N 471.539 0.569 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1785574601 NQGPSKLWRAQKLA-FDDCHVKYSA-N 459.547 0.709 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1nc2ncccn2n1 1787937452 YJIJKIOQQHJITE-BZSNNMDCSA-N 452.515 0.416 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)c1 1788630137 NNUVLCBJCGKNJZ-YYWHXJBOSA-N 489.594 0.777 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788657890 BFDGNYPMORXUMO-BHAAJTQZSA-N 452.552 0.800 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C(F)(F)F 1792889672 USBIYFVUVBOGLQ-CRWXNKLISA-N 451.442 0.580 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793086142 WBQDIGHMYXZVJU-MHORFTMASA-N 481.594 0.134 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]([C@@H](C)OC)N(C)C(=O)OC(C)(C)C)C2 1793345877 TULBPKOKODIEDX-CPPNMTBBSA-N 481.590 0.885 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1793357816 AVPRLYXKDOKQMR-NRWUCQMLSA-N 474.299 0.809 30 20 JCED Cc1nn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)nc2s1 1793662589 RHJZDHZZVUYGFE-JLVBRIDZSA-N 459.576 0.513 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1)C(F)(F)F 1794506731 LQEJYIGHLFVZFF-CCWDJLKJSA-N 481.475 0.730 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O)c1ccc(O)cc1 1795644668 NZKDTWRCYSUOAV-RZUKHUMYSA-N 457.527 0.542 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(F)CC1)C2 1797669005 KMBPPTTXVIKLEJ-YYIAUSFCSA-N 498.552 0.884 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)c(Cl)c1 1798357052 QFQHTNQLESMQPQ-YWVIFJGQSA-N 454.874 0.618 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1799321831 MXOXQTZJWUGZEA-TWHPPBISSA-N 496.605 0.086 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)[C@@H]2C1 1800718322 SLWXQXVRXJNCMR-YFWYZSEYSA-N 489.617 0.971 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1800985480 JBASEANNZZOLRA-AFIMGQEJSA-N 460.560 0.087 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1802125240 QWYUDFUZORAYML-ZRAXVTTISA-N 496.568 0.938 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)OC)CC1)C2 1802128070 MYIYHTMSMDLLGB-YVSFHVDLSA-N 463.531 0.446 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)cc1 1804086751 AOWADEBUWWPRAH-WMZHIEFXSA-N 460.494 0.754 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)cc1 1807025258 AHVJMYWKPWXHDP-UYAOXDASSA-N 457.427 0.998 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]3c3cccnc3)c2c1 1807026113 QMMBFXDXBGOQEL-IERDGZPVSA-N 497.452 0.874 30 20 JCED C#CC(=O)NC[C@H]1CCN(C(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)[C@H]1c1cccnc1 1812531229 CCURYODBYBVOSZ-UZLBHIALSA-N 490.524 0.861 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)NC(=O)c2cnccn2)n[nH]1 1819511683 BGYUIKAECYTXJS-QOLZPOHTSA-N 480.529 0.869 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819846669 RIQISQXBBLHWPS-FZKQIMNGSA-N 464.544 0.818 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](COC(C)=O)OC(C)=O)sc2C1 1819852443 YJJNDRVSZXLJCA-VYNKOYMISA-N 478.527 0.408 30 20 JCED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1825105109 KNTLQOQWRAMQHK-SFHVURJKSA-N 468.558 0.467 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CSCC(=O)OC)CCN2C(=O)OCc1ccccc1 1828585333 SZJQJFQGOSTDSR-QHCPKHFHSA-N 473.551 0.978 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1828884281 PVFXNTOAIFVMDJ-SJORKVTESA-N 457.535 0.619 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)n1)CCN2C(=O)OCc1ccccc1 1829048793 CHRMBMFTMINONY-QHCPKHFHSA-N 480.481 0.867 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1829762712 OEFYSQSWQXMQAA-POUSAUBHSA-N 473.526 0.258 30 20 JCED Nc1n[nH]c(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)n1 1830468191 HPJKSTNKEYYOTA-JOCHJYFZSA-N 472.933 0.481 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)C(C)(C)C)CCO3)c(C#N)c1 1830631300 VMYHWZOBPOHTFL-ZJSXRUAMSA-N 459.543 0.973 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1831420548 XNAKETLIGJVSKZ-DVECYGJZSA-N 459.543 0.806 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832424472 ZGNCPEQNWJSUQF-VWLOTQADSA-N 475.586 0.544 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)n1 1833338686 WRMBEQBMGCZFPD-KSFYIVLOSA-N 461.519 0.911 30 20 JCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1 1833429378 WYOINJQWCUSVTQ-UHFFFAOYSA-N 455.515 0.742 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1833451255 FCTHUEHGAARCSB-KRWDZBQOSA-N 486.635 0.395 30 20 JCED O=C(CCN1CCOCC1)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1834637806 VBWMPEZDHCJHIH-XIEYBQDHSA-N 459.591 0.992 30 20 JCED CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1834720396 RHBMICGMGHZSSU-HSZRJFAPSA-N 478.546 0.573 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1nc2ncccn2n1 1835351680 OMPDTGLEWYIBMA-KOEQRZSOSA-N 467.578 0.781 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)ccc1F 1835652637 PLHMDXAQJNEBER-NRFANRHFSA-N 463.535 0.713 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1835681057 OCXXOQRMRVXTHU-QHCPKHFHSA-N 462.522 0.670 30 20 JCED CN1N=C(C(=O)N2CCC(N3CCC(NC(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)CCC1=O 1835767474 ZOMCQGHXFGQVDL-ZHNJOBQTSA-N 476.578 0.695 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1835796178 UQSFUDLHBKLIOB-ROUUACIJSA-N 487.605 0.967 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C(F)(F)F)cn3)CCO2)C1 1836374862 LFMBSSYMJMISCH-IFXJQAMLSA-N 456.421 0.604 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380741 DEUHNJWWSGLRCT-WMZHIEFXSA-N 495.598 0.269 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)[C@@H](O)C1 1836769503 MYRRPXWCGMZSQT-PDIWNELESA-N 480.562 0.364 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836986389 SVSLICHTEALEHM-XQHLYRQSSA-N 471.514 0.933 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837291573 KQTFJZRGFUDHMJ-MQNAVGNWSA-N 457.483 0.216 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837296507 DRSHOJWZIBZRBL-PBRWIGKDSA-N 482.493 0.890 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1837402431 BCEWNMMUKUWGKW-GCJKJVERSA-N 463.487 0.944 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1837403132 NYCQWOXUPRSUDV-XXBNENTESA-N 472.579 0.086 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1837403381 LRYXIAPUYYMEAM-VVUOPNQJSA-N 475.542 0.786 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837496643 NDUXFIPQIIQOLH-HYBUGGRVSA-N 463.575 0.446 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837680527 NSPIOZGCMQDJBJ-KOSHJBKYSA-N 472.542 0.698 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1ccccn1)CCO2 1837745243 MMANBHZUZBWPDO-WZONZLPQSA-N 460.531 0.848 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)N4CCOCC4)CC3)CC2)c1 1838404789 RLDRHFLSJKNSPC-XMMPIXPASA-N 474.533 0.960 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c1 1838578033 CIYSYAXBPSBVOS-GAJHUEQPSA-N 456.499 0.163 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838628848 ZWZFPLGCDKBGEO-BLVKFPJESA-N 453.473 0.712 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)c1ccc(O)cc1 1839080469 WSXHRUKRHMHKBU-FGJSELGCSA-N 471.554 0.068 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c(C#N)c1 1839131980 KYFXMAWDTZTJNQ-QHCPKHFHSA-N 453.499 0.462 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1839165630 PZKZAFFVRJCCBM-IUKKYPGJSA-N 482.578 0.437 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=C)CC(=O)OCC)CCO2 1839175319 BRDPNWQCTSTBMW-QFIPXVFZSA-N 452.504 0.462 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1839222864 CXHZAGQPPMIKGI-SYJLOODJSA-N 491.545 0.250 30 20 JCED CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041022 LESICEQNECHUHZ-SBUREZEXSA-N 481.546 0.614 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c([N+](=O)[O-])c1 1840162941 LHBRBSOVTYNTJD-XOBRGWDASA-N 453.517 0.921 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1840384743 KNNMWOJGXCVFIK-XMMPIXPASA-N 458.559 0.818 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1840912761 PMKAWUSJPMNOIS-ZGNKEGEESA-N 475.546 0.949 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1841476152 GJYOJGYBDXYIJH-PCCBWWKXSA-N 497.596 0.920 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)[C@@H]3C[C@H](O)CN3)C2)CC1 1845066448 MWGUCNRGHIGZPD-IRXDYDNUSA-N 461.563 0.453 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1847807569 VQELXUHHJQDLLT-XLAORIBOSA-N 464.588 0.351 30 20 JCED CC(C)[C@@H](C#N)N1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 110026477 JLRSCWICDQRTND-OAQYLSRUSA-N 475.615 0.992 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CC3)c2=O)cc1OC 507084354 BSWYBYQZYOEOKV-UHFFFAOYSA-N 473.551 0.926 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCNS(C)(=O)=O 608912109 DAIBNIRCLYVTBG-UHFFFAOYSA-N 486.978 0.281 30 20 JCED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)oc1C 613076142 LQQMIPIUGUEJOC-UHFFFAOYSA-N 479.514 0.949 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cnc(C)s3)c2=O)c1 726580961 JFXWHGMEQWVUAX-UHFFFAOYSA-N 450.545 0.911 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c2)CC1 729306436 MCVJTWBCWFETMQ-HNNXBMFYSA-N 450.517 0.457 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CCS(C)(=O)=O 729674763 LRAGSQXTUIUVAN-UHFFFAOYSA-N 496.408 0.522 30 20 JCED CC(=NNc1ccc(S(N)(=O)=O)cn1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816230 INXFLQIXOBXHML-UHFFFAOYSA-N 461.547 0.291 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cnn3cccnc23)CC1 883993711 SWTMCFAIEGZJRO-UHFFFAOYSA-N 454.468 0.291 30 20 JCED CC(=O)N1C[C@@H](C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)Oc2ccccc21 915372315 IAZJTGMBHCRFJY-IBGZPJMESA-N 453.455 0.861 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 918609461 XGTOUNYWMUTYCA-YIAMGWMBSA-N 482.584 0.474 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(=O)N(C)C 918729978 MHXZEWBTZLZWJN-UHFFFAOYSA-N 475.368 0.566 30 20 JCED CCN(CCC#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 918896640 NNXLLSIXVWFHQD-UHFFFAOYSA-N 450.517 0.458 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1315072669 RSTGTEUPILIJAH-RBUKOAKNSA-N 476.559 0.662 30 20 JCED C[C@@H]1CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1494532039 WFDCKQOSFQIUHJ-TVFCKZIOSA-N 452.581 0.408 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC2CCCCC2)CCO1 1521130509 XNWOKFRNLFUABL-DOTOQJQBSA-N 450.565 0.748 30 20 JCED CNC(=O)c1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)c1 1554415255 OILDIAPANFFQKY-IBGZPJMESA-N 487.586 0.759 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1613558842 OFQWQZZTILRZQH-LIRRHRJNSA-N 455.560 0.920 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 1634894967 ODMUSIPIDLPJBC-QGZVFWFLSA-N 458.544 0.749 30 20 JCED Cc1c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)cnn1C 1707028902 OGPGNFPQSMSVOK-YLJYHZDGSA-N 462.580 0.831 30 20 JCED CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)S(C)(=O)=O 1710140793 KOHLOBMUBXWYCQ-FQEVSTJZSA-N 489.602 0.830 30 20 JCED Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1742113497 WJJISMYIFSZPFR-GHTZIAJQSA-N 461.544 0.752 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCCCC1=O 1751227970 MSAGJBBTAXDDFS-SJLPKXTDSA-N 478.623 0.467 30 20 JCED CCN(CCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)S(C)(=O)=O 1766866502 FORVCTORMVVGCC-KRWDZBQOSA-N 466.612 0.264 30 20 JCED Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1769052036 MBOGBFXCTVGAJB-UHFFFAOYSA-N 455.548 0.759 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016536 HWQUCBRDVSWOHH-LZHKVQNTSA-N 493.605 0.658 30 20 JCED O=C1COc2ccc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)cc2N1 1779103310 SDSMSMSAXMCAGQ-LUJGBRIASA-N 472.498 0.990 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)Cc4csc5c4c(=O)n(C)c(=O)n5C)C3)C2)C1 1780921595 OBBKHGNYGKCLBH-HSZRJFAPSA-N 472.567 0.637 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1781310977 ZTQBQFHVXYBEER-RNHFSVANSA-N 484.553 0.966 30 20 JCED O=C(COc1ccc(O)nn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1781494476 QQZNFHIVINLBJW-XMVHEJSISA-N 477.518 0.604 30 20 JCED O=C(CNC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1782238276 HESPJHJSCXJNAJ-BZXOTDSHSA-N 461.485 0.651 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OC(C)(C)C)C1 1782433015 RXIUQGJGERUODH-YZZKKUAISA-N 459.547 0.993 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1783500977 VSDHFUHRJDQHMP-CTVLORAKSA-N 488.585 0.788 30 20 JCED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567919 IRUKRGMLXONHFW-VBKZILBWSA-N 455.533 0.161 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)CCO2 1783915354 BDJLLFBABFESIB-SBUREZEXSA-N 480.610 0.939 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)c1ccc(O)cc1 1784015702 DFYGMBUORYYIHY-DVECYGJZSA-N 456.543 0.990 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784343968 VKQGKWRGSAVILV-JTSKRJEESA-N 460.535 0.415 30 20 JCED CCOc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cnc2c1cnn2C 1787247557 MGUBMGZNSKVJLQ-JQFCIGGWSA-N 455.471 0.048 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)no1 1788669651 HPWRKOCATRXOJU-YMZMDHBOSA-N 460.535 0.164 30 20 JCED O=C(CSc1nc[nH]n1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791559430 ZCOAMGUPDLRHAS-PNSANMRCSA-N 452.537 0.406 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(C2(NC(=O)C#CC(=O)O)CCC2)cc1 1792341562 LIXAKVRONRKWAN-INIZCTEOSA-N 472.498 0.977 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1792563916 FPSPKANHESPRIO-NLQQGEAXSA-N 450.536 0.369 30 20 JCED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1795278947 VQJXFSMTBCBWNW-OPMZPASUSA-N 450.451 0.398 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994700 YRYUPVKWNZWYIX-RMHZUWNSSA-N 483.447 0.326 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1796394228 GQKIOBDQKGYLFA-PSKREFJMSA-N 478.546 0.828 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1799233046 FVEAUTAWEXQNKH-AJYBTWMASA-N 492.573 0.725 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(Br)c1[N+](=O)[O-] 1799724753 FZNYGQKFLPVSNH-CULMDFNYSA-N 466.244 0.649 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOC 1800839903 WADRAGRVAWKCQE-RMFSNUHRSA-N 456.536 0.155 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801050776 HWNMMUDZOQGNDB-GZXWBTJBSA-N 467.563 0.539 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801992998 CMWSCQRJUFNZRR-BMNAXWPESA-N 461.515 0.471 30 20 JCED CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801993164 JUAWJZDFQIIATK-RDGPPVDQSA-N 492.573 0.912 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC3(CCN(C(=O)C4(C#N)CCC4)CC3)C2)n(C)c1=O 1806901557 PWJKBKOWEBPYQL-UHFFFAOYSA-N 481.557 0.359 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)CC1 1807145843 PRWFHKMVJRNVEY-GGAORHGYSA-N 483.617 0.533 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807952476 SALPYMNVWQQTSX-HTAPYJJXSA-N 499.491 0.478 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1808463471 FTAFCMMPUQDTOX-NQIIRXRSSA-N 483.525 0.868 30 20 JCED Cn1ncc(Br)c1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808927194 OBQPMEMXDGGHAZ-CXAGYDPISA-N 460.288 0.985 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)Cc2ccc(F)c(C#N)c2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812392725 WAHWPFVGPWHYKF-VGOFRKELSA-N 481.484 0.884 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)COCCOCCOCCOC)sc2C1 1825789434 YLORROHAKJFYCY-SJORKVTESA-N 483.587 0.790 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NNC(=O)C1)CC2 1828283781 DQDIZPAWVUXGQC-AAEUAGOBSA-N 474.543 0.848 30 20 JCED CNC(=O)CC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828570618 CAGZHEAKCZNOTK-RUZDIDTESA-N 466.538 0.988 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829132838 GLXROMHYLZANGW-RCZVLFRGSA-N 499.568 0.393 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352973 XKLAPDHSGSKLOV-UVYNTUDKSA-N 473.570 0.834 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)(C)C 1831090062 XHWHNJGOCFZCIS-HNQIHDJFSA-N 465.595 0.465 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1831435122 LTQGCXQGMNBEHE-NYHFZMIOSA-N 476.555 0.787 30 20 JCED COc1ccc(Cn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)cn2)cc1 1832783288 SCJRUTLZTXYYCH-VWLOTQADSA-N 496.520 0.027 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832788677 CBPWFFHYGBOLHP-KSFYIVLOSA-N 450.536 0.765 30 20 JCED CC(C)c1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)no1 1832789132 POGYFMHCCQNPRT-XMMPIXPASA-N 474.558 0.891 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CSc3ncccn3)CC2)CC1 1833076135 ZLCCHZUSFQSDAN-PLNGDYQASA-N 472.615 0.999 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1833477361 HYMFAEJHDIXBNG-HXUWFJFHSA-N 461.651 0.929 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833712936 JMUNZGGMFSWYSB-HXUWFJFHSA-N 474.693 0.243 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1833760377 BEXZGLIHNYWOGP-IDOMTICXSA-N 487.582 0.657 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833980957 BBYDFWICERZGJE-UZUQRXQVSA-N 473.530 0.463 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756157 MLPKFDUBHHXDIH-NTKDMRAZSA-N 487.557 0.887 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc([N+](=O)[O-])c1OC 1835345874 IAGXQGZATIXLPG-QFIPXVFZSA-N 474.470 0.986 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835352031 KPKIMWVXUWNSKL-PGRDOPGGSA-N 478.571 0.422 30 20 JCED CC[S@](=O)CCC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835654730 ACCDTNUBROIQFD-HKBQPEDESA-N 453.653 0.999 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1835682708 RZMNLWYWZYOESM-HYBUGGRVSA-N 458.559 0.328 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835923775 DBZDRAPEYVBVDX-OPAMFIHVSA-N 456.503 0.256 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)ccc1Br 1836139295 JRIDIZWHNCACRS-FQEVSTJZSA-N 489.330 0.682 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCC(N3CCC(NC(=O)c4cc(C#N)c[nH]4)CC3)CC2)CC1 1836169922 FNCXBWJOYQUNHA-UHFFFAOYSA-N 490.630 0.743 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)c1 1837077511 BDVVOMABCSECBJ-UHFFFAOYSA-N 471.489 0.861 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837115136 SJFLWMNMGXSXJZ-QHCPKHFHSA-N 456.499 0.914 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837169424 OERMCRFSVNJOHO-FGNLTJKTSA-N 472.502 0.328 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837382028 WGCFTBVRXZUFRW-WAIKUNEKSA-N 475.521 0.404 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1837405053 GGQPNHHRRSXBFV-HXOBKFHXSA-N 469.579 0.931 30 20 JCED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440726 VUXCZVQBXUAUNX-GJCAFDHESA-N 483.613 0.971 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837443975 VHPSDHINTRECMT-YGPNGPECSA-N 455.519 0.500 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc1 1837486898 SPCVYTGHNSTCMV-BVAGGSTKSA-N 486.565 0.884 30 20 JCED Cc1noc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524472 IDLAPJSHVWKABJ-DTXYYNOZSA-N 450.492 0.890 30 20 JCED COCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837528352 HNCLPRGKRPCCFM-CCDLRZDJSA-N 466.491 0.420 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837837441 CEOXCAACEAEJBO-WGAVVDLZSA-N 467.910 0.729 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)c1 1838578644 KRMVWOKROIWMLW-HSZRJFAPSA-N 474.583 0.686 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)CCC1 1839045048 MFOXYRHLIKPYPN-JOCHJYFZSA-N 473.555 0.042 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839106623 RMQTWFWVUXZULI-NQIIRXRSSA-N 454.637 0.177 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131648 QDPZYCDENPGZDF-UUOWRZLLSA-N 455.511 0.604 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839190749 BWYQMCAVDAQNJJ-VRUMLPLGSA-N 498.580 0.842 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)cc1 1839222406 MONIGMNEAWXZHF-MONBJTKQSA-N 463.531 0.986 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c([N+](=O)[O-])c1 1839462015 GSOBCAUAIYLDHW-JOCHJYFZSA-N 472.454 0.755 30 20 JCED Cc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)c1F 1839487415 HQQKFLOGWOBIDI-QHCPKHFHSA-N 481.488 0.999 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(C(N)=O)cc5)C4)C3)c2c1 1839489119 NIZQZVITPKARDO-RUZDIDTESA-N 488.504 0.917 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc3cccn3C1)CCO2 1839738761 GLPUACGKUKESOA-CLOONOSVSA-N 486.569 0.945 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1839739019 NSSPQDFMRGEOSA-KBMIEXCESA-N 486.569 0.882 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)CCO2 1839801151 WUCFNBXSHBHBAA-HXUWFJFHSA-N 472.391 0.931 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(n4ccnc4)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839810296 PCXUKKRXGSFURN-ZEQRLZLVSA-N 487.557 0.309 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1839839672 JCTHQAIXSWDYBW-HRAATJIYSA-N 451.545 0.767 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1839920117 CZAPDOOVRFAUGL-MJSXRHKHSA-N 454.738 0.671 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039714 FLXMWGUCJYWVDW-MFEFFIJZSA-N 479.530 0.224 30 20 JCED CN(C)[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1Cl 1840044545 LJZQGQXCQHUVJS-IRLDBZIGSA-N 463.918 0.487 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)C2)C1 1840155848 DQOCNILENZYTAK-MFEFFIJZSA-N 499.630 0.930 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1840796561 IRXXGWOPYOQLQE-HXOBKFHXSA-N 482.578 0.568 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(C)=O)C2)C1 1840909459 ZZNKTQVJBMIRIP-VUMVONDWSA-N 479.574 0.975 30 20 JCED CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc(C)nc(C)c2C#N)c(=O)[nH]c1=O 25960429 JMNXKWHWGQTSOR-UHFFFAOYSA-N 461.548 0.969 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(Br)c2)c1=O 480346430 CXARKFCGFQIZCQ-UHFFFAOYSA-N 491.411 0.644 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 523257975 RLJDJFWSYRKHRN-UHFFFAOYSA-N 476.558 0.880 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCc1cccnc1 524343112 PWZOQMXTUJQYKU-UHFFFAOYSA-N 491.529 0.818 30 20 JCED CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cc4c(cc3OCCOC)OCO4)c2=O)cn1 726181173 XUAZVZGRQNXUPZ-UHFFFAOYSA-N 465.491 0.896 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 831630924 YIBTZDSFBNVSJY-CABCVRRESA-N 455.558 0.310 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)c1 914426096 YDSUUGLDNHWLMN-OAHLLOKOSA-N 453.517 0.997 30 20 JCED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 917036625 MGHVYQCJTWKCMW-IBGZPJMESA-N 470.507 0.455 30 20 JCED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1139811268 IRPINYHSKNIFTD-YWZLYKJASA-N 456.524 0.748 30 20 JCED CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1297787996 UGNIXBJXDCPFTJ-UHFFFAOYSA-N 486.602 0.538 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1298102180 SQJRWEGSEBXJRP-GOSISDBHSA-N 456.532 0.751 30 20 JCED N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1302983421 YYXDCTIFLGQTJI-FQEVSTJZSA-N 461.523 0.733 30 20 JCED C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1303697515 YASXWAVXBARLDI-PKOBYXMFSA-N 489.602 0.645 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1503839441 XBKFWRZTOFBZOZ-GOSISDBHSA-N 456.532 0.468 30 20 JCED CC(=O)N1CCC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)C1 1508220869 ZWTREMNAROXRLS-UXHICEINSA-N 493.634 1.000 30 20 JCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1556520362 PRYXGSKIOWTWLL-UHFFFAOYSA-N 454.524 0.901 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCN(c2ccncc2)CC1 1609507671 UYYHTHSIDBNTTA-FQEVSTJZSA-N 467.578 0.752 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1617780634 QMMBFUQKGIKNKJ-GOSISDBHSA-N 488.570 0.601 30 20 JCED CC(=O)N1CCC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1690801227 SNABFJGKHZKFMY-XLIONFOSSA-N 483.570 0.311 30 20 JCED CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1708633051 ITSYRDFMYLIUER-KBMIEXCESA-N 480.617 0.920 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1710329907 ILGBIYVYUMFWFT-QHCPKHFHSA-N 452.563 0.141 30 20 JCED CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1712707045 VMLIFXZRUMVYCW-MRXNPFEDSA-N 478.600 0.769 30 20 JCED N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1712887753 RIEYZUBQKWVFSG-MRXNPFEDSA-N 456.594 0.346 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1778384256 YWFKFUKWDSOPCO-QHCPKHFHSA-N 466.473 0.785 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1nc2ncccn2n1 1778587185 SWZXXQGXGGVBNI-UDYHDUIUSA-N 471.518 0.781 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)n1)CCO2 1779100911 FWEDNKJVBBNJCG-PVHRDILVSA-N 487.557 0.891 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104023 ATXAEQGUYZZJQR-WZZJPFNJSA-N 498.577 0.621 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1779106189 RGWZDURJIXQLEC-ICILYHDOSA-N 491.570 0.250 30 20 JCED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1781601853 LEOAQMFAQWYFNX-PMECCGAFSA-N 476.599 0.094 30 20 JCED C=CC[C@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2)NC(=O)OC(C)(C)C 1783095408 OEYAIADRWDQXTK-XCGNWRKASA-N 455.552 0.671 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C[C@@H]21 1783531622 OWPGBIHINXIYDK-HYGDWFSYSA-N 468.554 0.854 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1783644010 BZRSWEOVPQRHTI-LATRNWQMSA-N 457.593 0.895 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089382 DGZPKEFRGKAOHJ-QMHKHESXSA-N 489.577 0.715 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCNC(=O)OC(C)(C)C)[C@H]2C1 1784199089 YLXLNAFIQOBSDT-OWSLCNJRSA-N 489.635 0.842 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1784485147 IEJMCWTWOXUMOR-VMXHOPILSA-N 467.563 0.280 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3C2)cc1C#N 1785153984 HPEGDDJOVGGSLX-CAIZAGQASA-N 483.525 0.537 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)NC(=O)OC(C)(C)C 1785304762 GZFHTYJFDPUGDR-QMHKHESXSA-N 496.561 0.219 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1788591624 MGJNKGRMZPKLGX-ACRUOGEOSA-N 497.734 0.748 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn(C(F)F)c3=O)[C@H]2C1 1788798256 AXSPKYDYUPYQBJ-QTIVQTDVSA-N 464.469 0.695 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)c1 1789256018 UWRHCMMICUMIIA-FNHZYXHNSA-N 477.481 0.205 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1791392428 LUBZEEYMHZCEIL-WDSOQIARSA-N 455.898 0.596 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1792256778 LJGLNLZTXYAJGH-QAETUUGQSA-N 489.577 0.216 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O)NC(=O)OC(C)(C)C 1793436030 MFPFQVKQULYCKM-GHHWKCCRSA-N 466.579 0.947 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc(N2CCOCC2)cn1 1794442120 LTSQAIYYHSFULA-DSYYJXKUSA-N 470.574 0.593 30 20 JCED COC(=O)[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1)NC(=O)OC(C)(C)C 1795412761 RFRMJWRNAVUXHF-JYYAWHABSA-N 464.519 0.336 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)nc4cccnn24)C3)c1 1798578366 GCZMRPJPSVCKBE-FAQVEIGNSA-N 474.477 0.487 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1C(=O)N(Cc1cccs1)CC3)C2 1800455634 KHIICHRACXHFBI-CCWDJLKJSA-N 453.524 0.437 30 20 JCED Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c2cc(Br)ccc21 1800778752 FFRBFRKGEZSDIF-KSPBDQMDSA-N 475.299 0.627 30 20 JCED COC(=O)[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1)NC(=O)OC(C)(C)C 1801984645 QMFZGPPJHGBAGW-KYHPRHEASA-N 478.546 0.726 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1802124994 LXPZKIXYTCQXPN-JTJHWIPRSA-N 478.590 0.215 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)c1ccccn1)C2 1802127784 RVPIQSLYBUNGEG-DLRXZHIHSA-N 471.558 0.588 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(N)=O)ccc1Br 1802164778 DFZJKDRQEFPRHJ-YWVIFJGQSA-N 450.293 0.192 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1810361716 ZXZBRKNUEUNLIM-NAPWHONBSA-N 472.502 0.168 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)COc3ccc(O)nn3)sc2C1 1824554068 RDYJFJDLEMQXSC-FOQNGQEVSA-N 458.500 0.488 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826318810 RSIDQSHNHKTKFH-AEOGYIDMSA-N 461.500 0.509 30 20 JCED C=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CC[C@@H](N)C(N)=O)C3)C2)C1 1828486895 CINMVYSQXXPKCD-RLWLMLJZSA-N 497.596 0.998 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1 1828921546 YIAOBXZHWVBNBI-QHCPKHFHSA-N 488.566 0.787 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 1829266934 HACRATLJNLRZOO-HSZRJFAPSA-N 450.499 0.754 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[S@@](=O)c3ccccc3)C2)C1 1829771230 MURFQFABJADBGB-OPISWBFCSA-N 489.594 0.498 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)N2CCOCC2)CC1 1830345637 PBNFNJKPVNOQOT-XXBNENTESA-N 451.564 0.766 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccccc1 1830407723 MWVGSGQTJPGDSF-QPPBQGQZSA-N 455.511 0.954 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc(C)n(C)n4)CCO3)C2)c1 1830953905 OKDNZFWBZHCRCQ-DEOSSOPVSA-N 467.526 0.922 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1831421210 GSRKGCIMQTXMLH-AOMKIAJQSA-N 464.519 0.823 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1831434215 UBYZSVZDHPJMNP-UAKAABGRSA-N 497.589 0.404 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)cc1 1832728058 AICWZACEVQAXRV-DEOSSOPVSA-N 463.494 0.453 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833032197 YIZKFBPCADMEKQ-HTAPYJJXSA-N 465.572 0.507 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc(Cl)n1)CCO2 1833174441 ZOJCGDGWDGMPFZ-ICTHTSFCSA-N 462.934 0.592 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCNC(=O)c3ccc[nH]3)CC2)CC1 1833465205 QLMFSCWXRTZRDZ-SFHVURJKSA-N 457.575 0.745 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565252 BHYKHPFWEPVEKI-JTSKRJEESA-N 465.572 0.908 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833596572 ICHDWISUOAJBFB-IIBYNOLFSA-N 467.544 0.146 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(=O)O)n(C(C)C)n1)CCO2 1833608638 NKHLYSSXUIFKLC-HSZRJFAPSA-N 492.529 0.742 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833614408 FMIGLTILUAZCAQ-DEOSSOPVSA-N 454.527 0.402 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c1 1834676235 UTRVUYRSGPFZTI-FQEVSTJZSA-N 458.538 0.475 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1835350164 GXBIZVGVPIYNHH-JOCHJYFZSA-N 461.540 0.393 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1835677934 RHEIOGDJJPWUGB-XMMPIXPASA-N 481.557 0.824 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)COc3cccnn3)CC2)CC1 1835769497 ZOVTWJCTARCIOW-AJPHYDNBSA-N 474.562 0.956 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1835781636 HUNIXPUZDXZEFT-AFUMVMLFSA-N 454.531 0.527 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4sccn34)CC2)CC1 1836073963 VODFPIUSCMDUDY-ARJAWSKDSA-N 498.609 0.800 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3ccc(Br)cc3n1)CCO2 1836773283 XBGJJMDUFQTOLI-FQEVSTJZSA-N 491.298 0.255 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)cc1 1836780613 LFUKNCCDGFJPET-XMMPIXPASA-N 478.509 0.272 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc4c2NC(=O)C4=O)CCO3)c1 1837138382 BWWBAZNUBNBQQP-HSZRJFAPSA-N 463.450 0.405 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443453 BLGULSZZCKJUFJ-CVROGOTKSA-N 478.619 0.879 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)o1 1837452972 PFBBSIAUAVHLGQ-GTBXIFBCSA-N 478.502 0.837 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1OC 1837491207 VYUWTCQBTXYZGZ-VWLOTQADSA-N 487.553 0.867 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837493577 LJLHGEJXEASXOP-DEOSSOPVSA-N 457.527 0.485 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2)C1 1837500242 WKWHCSBBTKAXIH-XXBNENTESA-N 468.547 0.930 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525296 LTHCDBTYCUNAHP-PTJKWTKHSA-N 469.535 0.704 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1837528305 FPQSZNVBGSXDMT-BAANAVDVSA-N 488.501 0.034 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837529500 USQFDCLLWAJQHW-OFQJBLIHSA-N 486.569 0.686 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837531747 VYZMVJUZSYFZQT-KRYRLDPGSA-N 491.545 0.524 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1837559746 GATJSDJDAIKMDP-ULWKOAMRSA-N 499.524 0.161 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1)c1ccccc1 1837611821 MMJFBEUITMVGJW-CPJSRVTESA-N 482.537 0.192 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838418498 BUUHTXFBTLMWGJ-BTYIYWSLSA-N 477.543 0.627 30 20 JCED COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1838514428 DVYZPZKIDITFRD-DSMHQBTASA-N 464.519 0.760 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn(C)nc4C)C3)C2)c1 1838579247 IBSHHYSOSWNEAW-HSZRJFAPSA-N 453.499 0.993 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(=O)c4ccccc4)C3)C2)c1 1838742693 LDCJFLUUETZSNQ-DEOSSOPVSA-N 465.510 0.776 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(C)[nH]4)C3)C2)c(C#N)c1 1839131381 DXJNZZGYYSGWKY-HSZRJFAPSA-N 453.499 0.911 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1839173601 BAKFYJSMFWJVIG-QFIPXVFZSA-N 457.487 0.309 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)ccc1F 1839186179 FDKOGKGXYNJPTO-DEOSSOPVSA-N 484.484 0.719 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)CCO2 1839220707 CRSDCSQAWXGQOO-VAXXYWNWSA-N 494.589 0.391 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)cc1 1839361326 CKQRDCNPLFZFMC-HSZRJFAPSA-N 452.467 0.535 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839372604 KIJBBWJQUDEJEO-HTAPYJJXSA-N 450.488 0.447 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c1 1839453034 KMWPYMDQEGWLOU-VWLOTQADSA-N 488.504 0.653 30 20 JCED CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041021 LESICEQNECHUHZ-GAJHUEQPSA-N 481.546 0.614 30 20 JCED CC1(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CN(C(=O)OC(C)(C)C)C1 1840044990 LLMIFFWDYRDTCI-HSZRJFAPSA-N 479.530 0.178 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34COC[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1840155841 DMOLSYZRRTUMKC-ODYPEACGSA-N 499.630 0.645 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840157224 IJBLHZXNWUTDCQ-VFNWGFHPSA-N 455.577 0.938 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219264 GHLOVVDMXJDERO-DNQXCXABSA-N 479.574 0.618 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840371919 ITEQPFAFXLWKDC-OFNKIYASSA-N 459.547 0.107 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1840795718 YEFRUQZIXBMONN-LLJLJFOGSA-N 496.605 0.814 30 20 JCED Cc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c1F 1840818630 MLXDOERKPVPKDM-QFIPXVFZSA-N 457.462 0.878 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1cncn1 1840820786 JXVYJOBGCPJYDR-JTSKRJEESA-N 454.487 0.246 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)CCO2 1840845155 KVEUCRTVLKGZEM-STWLZBDKSA-N 487.553 0.791 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1840907130 PLCXUYHPHJLDKW-DVECYGJZSA-N 489.573 0.715 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1840908402 ASFYIILOBZXNBO-YADARESESA-N 489.573 0.634 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1840908684 OLARTUNZMLKHDM-AXHZCLLHSA-N 479.574 0.786 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1841602906 ABRZJTMXWOSVFN-IRXDYDNUSA-N 485.603 0.556 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cnc(O)[nH]1)C2 1844215606 ZBXRFMYGFGWXOG-OAHLLOKOSA-N 492.533 0.738 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 523257069 HEFXPVXOPXQLOE-UHFFFAOYSA-N 468.560 0.729 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O 524281249 NENFPOLHQNSUPB-UHFFFAOYSA-N 484.550 0.012 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 604434326 OFPFXVVKQLEEAG-UHFFFAOYSA-N 456.480 0.953 30 20 JCED CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434461 MMBOULKRCVBWEZ-UHFFFAOYSA-N 458.496 0.884 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 608888214 DISMXEWUZMZNBH-UHFFFAOYSA-N 457.468 0.729 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1=O 624255010 VNAXDGRHJYOADZ-UHFFFAOYSA-N 474.948 0.601 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 728150515 WFUGLCMSAYNZKF-UHFFFAOYSA-N 465.539 0.532 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CC(C)C)CC1 728533151 BNPMEOMXHWHPIK-UHFFFAOYSA-N 468.558 0.784 30 20 JCED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(=O)NCc1ccco1 744908115 LOPXJXJPYDOYKA-GYQDZVIGSA-N 475.527 0.852 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2cnn(-c3ccccc3)c2)cc1 853704191 DVILMKQYYAIALW-UHFFFAOYSA-N 453.480 0.882 30 20 JCED CC(C)[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(N)=O)C1 876700243 BRTHYWYNQMZMNQ-BEFAXECRSA-N 478.571 0.797 30 20 JCED CC(=O)N1CCN(C(=O)[C@H](OC(=O)CNS(=O)(=O)c2ccccc2C#N)C(C)C)CC1 913174201 YKIFGPYRLFNRSW-LJQANCHMSA-N 450.517 0.095 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C(N)=O)c2)cc1 918262164 JQPANUPOFBYGGB-BWAHOGKJSA-N 457.512 0.853 30 20 JCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1OC 919227717 VMSXNWADPZUEEP-OAQYLSRUSA-N 483.543 0.936 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1296652899 WMJZTUDAEPMLMJ-YWZLYKJASA-N 453.494 0.488 30 20 JCED C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1300834719 VQDVBCXFPLGEFZ-HNNXBMFYSA-N 474.323 0.781 30 20 JCED C[S@@](=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)CC1 1302508750 SRWLYPSFIBHRCZ-INCQDFKNSA-N 470.621 0.652 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1503377090 KNDFMFVYDVUXRG-JGCGQSQUSA-N 455.588 0.938 30 20 JCED CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1516783314 KUKVVVWYOKHVCI-CQSZACIVSA-N 454.578 0.625 30 20 JCED CCS(=O)(=O)NCCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1552402213 ISJURPUHTGCBEV-MRXNPFEDSA-N 461.596 0.793 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1617799859 ULHHKJPXQQFESQ-UHFFFAOYSA-N 484.557 0.955 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C2CC2)C1 1692853441 NMABGWNRVUHKPI-OXQOHEQNSA-N 465.580 0.267 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1706748111 SURMSVVOBKISPP-UKRRQHHQSA-N 456.960 0.899 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1709909891 ZWORXQGGFBDSKB-KRWDZBQOSA-N 452.519 0.763 30 20 JCED COCCN1C[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1712469019 LBJHOPQGZFFDPO-JXXFODFXSA-N 467.596 0.513 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CC1 1722796375 SILQAAFHNGJXCQ-UHFFFAOYSA-N 459.576 0.462 30 20 JCED CCCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1728199461 OHCUAXDKRRRTER-MRXNPFEDSA-N 461.548 0.450 30 20 JCED CN(C)C(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1747536580 SETDPPFBDWXIJU-SFHVURJKSA-N 475.575 0.597 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1761263425 YTZPJKNQNBFXAG-UHFFFAOYSA-N 494.600 0.712 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(=O)(=O)c2ccccc2)CCOC1 1767482409 IWEZLJICKYJAAD-UWJYYQICSA-N 476.559 0.637 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(C4CCN(C(C)=O)CC4)CC3)C2)C1 1778319987 APOXFGVLXFWIAK-RXFWQSSRSA-N 488.629 0.578 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778919132 VVIIBNOXIDSYQD-XKDCRVNJSA-N 474.562 0.945 30 20 JCED CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779377427 LLQVWQKGESTUAR-OAPWTZPSSA-N 469.608 0.513 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NNC(=O)C1)C2 1782107778 CQDUTMCIMRQSIC-QDOIMOTRSA-N 477.562 0.846 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1782671175 CNWFFDWWKNWSCZ-QHCPKHFHSA-N 451.483 0.895 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3(C#N)CCC3)C2)CC1 1783127123 RKZUSCZWLAOQMU-XMSQKQJNSA-N 466.604 0.866 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)O)C2)C1 1783525357 WGXMUULHODAQFM-PONJGIIJSA-N 484.550 0.003 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1783767283 ZDCTZXGIQGQJHX-JLTOFOAXSA-N 455.581 0.912 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1783770980 JUUCBOCJQPSZMH-VGSWGCGISA-N 462.551 0.968 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1)c1ccc(O)cc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c3cccc(=O)n3O)[C@H]2C1 1785633820 WGIIFFHULKBVKB-DWRORGKVSA-N 488.541 0.596 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789707722 AIVDCPUFULDPLO-SZMVWBNQSA-N 488.614 0.153 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(CO)on4)C[C@@H]32)c(C#N)c1 1789841273 AEEOKDWJXQGBDT-ZRCAFCQKSA-N 454.483 0.883 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1 1790848948 NQZZPLWCFFJUAR-SOWBTEIWSA-N 464.563 0.572 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790861864 PQKXWWHNMAEVIB-CSNNDUIRSA-N 476.574 0.572 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1791544148 SNQVUNPQBVPSMM-IHXHSXLNSA-N 462.551 0.238 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792631439 KKHKLDZMHBQFMT-YVSFHVDLSA-N 450.536 0.762 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnn(C)c1 1795772357 IZSYVXAXHBDLOC-RCLSDMTESA-N 473.574 0.859 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1796447194 UNEQHICNSCMGRD-FLSMYAAKSA-N 458.496 0.651 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1799232798 BSDUNPBKFWCSMY-JTJHWIPRSA-N 488.589 0.955 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)=O 1800512738 PEZBEOLKZXSJRL-AJYBTWMASA-N 464.563 0.409 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2)NC(=O)OC(C)(C)C 1801928443 ZRUPZZSMCPGSRG-DFGXFYAUSA-N 452.552 0.524 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2)NC(=O)OC(C)(C)C 1801930458 IJTSBTIYGVLBKT-LVEJAMMSSA-N 477.566 0.683 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1802124878 MGUAOQLTDHOULP-DFBDCSAJSA-N 485.603 0.173 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1808406902 HTIWSDVCKKKABT-YFVAEKQCSA-N 462.572 0.551 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809665945 SRPQXILROUKSSI-YRBHQURASA-N 482.585 0.110 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1 1812872026 ANFNZCGRUSADNX-UTKZUKDTSA-N 455.492 0.893 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C#N)CC3)[nH]n2)n(C)c1=O 1815799712 MJHMJBRDFVHRES-AWEZNQCLSA-N 479.501 0.153 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCNC4=O)sc2C1 1818910294 NGEDNVSASDSOEW-CHWSQXEVSA-N 456.528 0.737 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825661050 GFXVTFCEWRLUDG-JSGCOSHPSA-N 478.527 0.779 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828242112 GPETYEODDNYYTO-ISALQUGTSA-N 479.609 0.774 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)C1 1828468446 XMKHXBZSCQSLLY-OCCSQVGLSA-N 478.527 0.779 30 20 JCED CC[C@H](C)[C@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828588543 BVDKVVRGNBULSD-PZGSVQSZSA-N 485.537 0.934 30 20 JCED CC(C)NCCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332733 XBJPJMIYXAHHSS-RUZDIDTESA-N 484.553 0.915 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=COCC1)CCN2C(=O)OCc1ccccc1 1829412175 KCALORBTCTXDKB-DEOSSOPVSA-N 467.478 0.831 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632079 ONUSGJDIQCYIMJ-HOYKHHGWSA-N 456.543 0.814 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)cc1 1829634562 RJRROOFOKHBISC-HSZRJFAPSA-N 451.483 0.344 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(Cc4ccccn4)CC3)C2)C1 1831386434 GOIGEBHHJVPXLN-HFZDXXHNSA-N 484.597 0.788 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)c3C(F)(F)F)C2)C1 1831392775 OOGJQBZHJNHRPL-KUHUBIRLSA-N 458.437 0.547 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1831424933 OGLDEYSFVCJWKZ-JPYJTQIMSA-N 455.515 0.928 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1831493516 UUCITACPEJRYHT-SXKCCIOGSA-N 453.605 0.798 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncn3nc(N4CCOCC4)ccc23)CC1 1831670322 SHKWZASFEPTAAE-IBGZPJMESA-N 494.552 0.887 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1831998343 MXTXTOZVYJEKBU-KSFYIVLOSA-N 478.550 0.355 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251236 DSHVANZLLKVQMI-KRWDZBQOSA-N 452.401 0.992 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1832457167 LTHQESYQVZSKTI-HXUWFJFHSA-N 464.569 0.745 30 20 JCED Cc1noc(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1832558558 ZZKUOAZBKVYTNZ-CYSJGKSUSA-N 464.519 0.819 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1833204059 LDVCKSLEOIXOSK-DVECYGJZSA-N 467.526 0.926 30 20 JCED CC(C)(C)n1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1Cl 1833604765 IBADYMSJMCSASO-HXUWFJFHSA-N 452.895 0.450 30 20 JCED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767611 MHWFUQSKMVEJKE-MGPUTAFESA-N 456.565 0.613 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc([N+](=O)[O-])cc5c4OCC5)C3)C2)CC1 1835345685 UIQOJUAKTOEVMM-JOCHJYFZSA-N 456.455 0.903 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1835360132 UMKBPCZXCGBEKJ-INIZCTEOSA-N 473.271 0.388 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1835675007 UCUVLYBHWLDSDZ-NTKDMRAZSA-N 455.559 0.934 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835709612 JNKKLWDLJDWUIL-WLXKGNRNSA-N 463.627 0.737 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836075663 YTWKWNVDPBRBEY-GAJHUEQPSA-N 491.545 0.294 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CCO3)o1 1836321761 HHKCYFAYJITSDT-HXUWFJFHSA-N 494.430 0.976 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1836474216 YAVGFKRAMKSNQO-HOIFWPIMSA-N 455.552 0.541 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836622098 CTGJAOALGSEKNT-HXOBKFHXSA-N 485.537 0.252 30 20 JCED CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533258 MPVIXNQRLYEEKA-DUQABTKISA-N 466.579 0.845 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837606462 UQTXTBGRNGPCKQ-AVRWGWEMSA-N 492.536 0.166 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837647523 MUMWETBGGMEWHC-QMHKHESXSA-N 478.513 0.432 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837674300 XGTKOOLDVQIPKS-HTAPYJJXSA-N 451.568 0.029 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838582563 SQNWQSWPRIIEQO-MZNJEOGPSA-N 472.542 0.942 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839130647 KUNRQKUKMHXXGJ-MHECFPHRSA-N 494.589 0.228 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1839130881 ZFJABEJTQXXJOV-SBUREZEXSA-N 490.561 0.572 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(C)(C)C)C3)C2)c(C#N)c1 1839131875 DYFQYQKXXGWELE-DEOSSOPVSA-N 458.559 0.954 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4ccnn4)C3)C2)c(C#N)c1 1839132734 QPBMBHGEVOGXMD-UZUQRXQVSA-N 468.514 0.418 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839518227 LCYRFEDPKDVGSE-JOCHJYFZSA-N 462.503 0.245 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc5c(c4)NC(=O)CS5)CCO3)C2)CCC1 1839579154 VYFFCOPHADCHSW-QFIPXVFZSA-N 471.539 0.890 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1839655322 RDZWTEKAWLBMJC-NRFANRHFSA-N 479.990 0.766 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839683360 ZZEZPIOCUYFESZ-HRAATJIYSA-N 454.524 0.286 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839683811 NEOTUGBQFYEQQZ-WZONZLPQSA-N 466.531 0.703 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)CCO2)C1 1839737454 LZLWBUDMLTVIPQ-WIEQDCTASA-N 484.475 0.638 30 20 JCED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1839886650 DEJRWZITSAIXIG-DEOSSOPVSA-N 472.542 0.942 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4cc[nH]n4)n4ccccc34)C2)C1 1840042773 OCUDHAWYVGOCGA-DEOSSOPVSA-N 477.477 0.487 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)CC2)ncn1 1840157476 QILNVYSHZRIZDD-OPAMFIHVSA-N 479.603 0.476 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840362969 ISJYJJOEGVVVLD-UGUDOMKTSA-N 475.546 0.500 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840771791 QHNCBCJDGTULNF-NRFANRHFSA-N 467.519 0.849 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840879988 RGWVVBALKSXIEI-SWLSKGBQSA-N 460.483 0.311 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1847448091 RICNNAGDGTWLTI-OMMWLMHSSA-N 469.604 0.888 30 20 JCED CCCS(=O)(=O)N1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 410307294 FEFBQYOURUYGKC-UHFFFAOYSA-N 483.616 0.778 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(-c3ccc([N+](=O)[O-])cc3)noc2=O)CC1 509072773 WPTIRYKJMUWSQH-UHFFFAOYSA-N 498.477 0.816 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)cc1 513011099 MOOSROPNLALGSK-UHFFFAOYSA-N 469.523 0.813 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1cnn(CC)c1 522390424 KOQOEWXQWKGSOZ-UHFFFAOYSA-N 469.523 0.833 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592988122 MHIHNVWCPGRJBY-UHFFFAOYSA-N 493.568 0.483 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O 608911137 MDGOMETZWWPJIC-UHFFFAOYSA-N 493.358 0.859 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)cc1 609536663 RNVLPMFCOQKVAH-UHFFFAOYSA-N 480.543 0.899 30 20 JCED N#CCn1c(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc2ccccc21 729321522 DJIFTEFOTQIUIC-MRXNPFEDSA-N 450.542 0.440 30 20 JCED CN(C)S(=O)(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 914493200 NFLLMWVTLNZKOM-UHFFFAOYSA-N 471.605 0.236 30 20 JCED COCCn1c(=C(C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)sc(=Cc2ccccn2)c1=O 916664721 XWSDIOUJZKHLSG-UHFFFAOYSA-N 491.573 0.930 30 20 JCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCNc1ncccc1C#N 917157713 XQTYYEABNKXKNM-QGZVFWFLSA-N 465.557 0.263 30 20 JCED CC(=O)NCC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918274817 XPVMBWJRGLCDOZ-LYBHJNIJSA-N 463.560 0.813 30 20 JCED CNC(=O)Cn1cc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)cn1 918452267 PVFAPZKRVHTFMW-ITYLOYPMSA-N 489.558 0.799 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1cccc(C(N)=O)c1 1303405346 QTFZWTOBLOUTRN-IBGZPJMESA-N 450.547 0.934 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(C(C)C)n2)c1=O 1325419210 NMQHGDCZARGQBZ-UHFFFAOYSA-N 462.597 0.888 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359076765 LYZLNJLCANPXPW-STQMWFEESA-N 499.457 0.563 30 20 JCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 1538908160 UKJIVUUKTOZTBL-QGZVFWFLSA-N 453.565 0.970 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](N1CCOCC1)C(F)(F)F 1611659191 NQPCCMBGVMMGKG-IHRRRGAJSA-N 467.518 0.890 30 20 JCED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1655930629 PLLSEIXVTPJFHV-UHFFFAOYSA-N 452.562 0.292 30 20 JCED CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1679425265 RLRPYLKVYATDEJ-WMZOPIPTSA-N 454.574 0.930 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccc2F)n1CCNS(C)(=O)=O 1693750483 VQKIRSJZLBDXFK-MRXNPFEDSA-N 499.576 0.934 30 20 JCED CS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1712712599 KVFHXUAYIGFDCE-UHFFFAOYSA-N 472.575 0.148 30 20 JCED CCN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)S(C)(=O)=O 1728495665 FOWDDZKZYAQBJP-MRXNPFEDSA-N 472.637 0.982 30 20 JCED CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)N1CCOCC1 1741941756 WISKKTRNKNKVEA-SXLOBPIMSA-N 494.666 0.422 30 20 JCED CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1748056276 XYPMRVQWRBMBOA-FQEVSTJZSA-N 485.614 0.994 30 20 JCED CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1751216991 XYMMGTRAKMZVHC-BXWFABGCSA-N 457.576 0.687 30 20 JCED CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1768936463 NGZWYXPZWZHPQX-UHFFFAOYSA-N 461.592 0.913 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c(O)n1 1778847650 UHWRZIMVSZZYNY-JOCHJYFZSA-N 455.519 0.682 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 1778855667 JCAQIQKRQNCBPI-BPYKYCOYSA-N 469.538 0.489 30 20 JCED CN(CC(=O)N1CCO[C@]2(CCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1)C(=O)C(=O)O 1779005463 PXWMNMFPEINDOB-NRFANRHFSA-N 451.596 0.410 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1779106195 RGWZDURJIXQLEC-RGEBAEOJSA-N 491.570 0.250 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781166424 OICFMCLUFMCALW-FDDCHVKYSA-N 474.562 0.805 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4nccn4)C3)C2)CC1 1781420211 BQZRPNAOUPQRIJ-HSZRJFAPSA-N 487.561 0.649 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1783198240 ZMCKEOKTUWDQHO-VBKZILBWSA-N 474.505 0.796 30 20 JCED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1783276590 VSNCBVHICGPGHR-WJONJSRFSA-N 452.552 0.845 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783836529 WPLZEXYGQFMMFC-WZONZLPQSA-N 499.630 0.948 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2)c1ccc(O)cc1 1784018466 QILQQHKIOKMEIU-IQGLISFBSA-N 490.520 0.764 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1785571575 CZSTZFVSPVHASG-MWTRTKDXSA-N 473.530 0.845 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1785575666 AURLVTNGINGVRR-ULYRPOKDSA-N 450.536 0.258 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785724614 NBXYPZONPOFQAN-PMAPCBKXSA-N 465.547 0.491 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788138977 QJOOMICHZRXSOZ-BJLQDIEVSA-N 456.499 0.759 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)[C@H](O)C1 1788250683 YZSGYLJMLYIUGF-CKBXSBTMSA-N 464.563 0.888 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1788572854 OVYCQEIYAUUMMH-NMHRLERGSA-N 452.577 0.342 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789345068 NXBCXYZDGRYOEN-ZMMAXQRCSA-N 475.546 0.755 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1)NC(=O)OC(C)(C)C 1789884184 KPVJVEBNNMFXPH-OYSTVDSJSA-N 466.579 0.960 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(OC)OC 1793170250 UVUJVVLNGNZCJO-XMTFNYHQSA-N 467.563 0.892 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1793361171 JVYAXOXLNYTKAB-CBNQQXHVSA-N 474.558 0.803 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793602773 HEZYXLCXILQJQA-WVRYWXATSA-N 495.621 0.976 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1793821073 FQYAFKDDFLIMRD-JLVBRIDZSA-N 459.528 0.801 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794210633 SKIZIFKXQOKWJJ-ADHGMGHFSA-N 489.573 0.920 30 20 JCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2 1795084692 NZRRTFFUJLTMSV-RVDAZCDBSA-N 456.499 0.262 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)[C@H](O)C1 1795409440 HLBPQGAVGHQOND-RZFLPCETSA-N 462.547 0.498 30 20 JCED CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795996932 CDXRLDYDOQXYHX-DRXBFXEBSA-N 474.461 0.610 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]n1 1796492421 KDXABWJBLLUFTR-QKPAOTATSA-N 491.549 0.862 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)OC)C2 1797668904 DBCABBWUTAYETK-UYTYNIKBSA-N 498.577 0.416 30 20 JCED COc1ccc([C@@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cc1 1797810259 NKDHBXXACYNONC-SUFGDBKVSA-N 461.515 0.847 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C(F)F)c1=O 1797991597 MJUNWYCEQDXFOM-XOIINTDNSA-N 453.442 0.956 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(N4CCCNC(=O)C4)n2)C3)c1 1798859194 QDHRKDXJEPEPJM-IRJINJETSA-N 488.548 0.797 30 20 JCED C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799237874 NNMJCMYWLZAJJP-NXOAAHMSSA-N 450.536 0.498 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCCNC4=O)C3)c(C#N)c1 1799239885 MEVIXKHNHKMHNH-FEJSZKPUSA-N 492.536 0.343 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1799323096 YVADAQGEVIAHPR-RCJHGTSTSA-N 475.546 0.833 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2cccnc2)C3)c1 1799745039 MQBKTJPVQCRFHD-UPHUGPLXSA-N 451.458 0.726 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800243371 VWKXXCITCUADJO-CEQLMSFQSA-N 454.575 0.255 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1800997208 UURIIXQGKSRZQG-NBMJBFSESA-N 465.547 0.836 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC(=N)N)C2 1802125159 SDNCHOWDOIDFFL-FQLMCAECSA-N 453.565 0.119 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1803546210 WCJBZFAYXJVQBP-MDYRTPRTSA-N 450.499 0.379 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@@H]2c2cccnc2)c1 1806085104 YINKFASCVNXBSZ-UZLBHIALSA-N 458.482 0.855 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1)C(C)(C)S 1808271365 NNOOGKOFSHCMPB-XLAORIBOSA-N 494.662 0.975 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1808452050 NBJQAWFNNUCYRM-XMSQKQJNSA-N 453.499 0.854 30 20 JCED Cn1c(=O)c(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nc2ccccc21 1809292300 WLOJAGVZQVQXII-OPAMFIHVSA-N 459.462 0.736 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccnc1 1810632731 NTAHIKCLKNTNFK-JTTZZOPQSA-N 453.459 0.891 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1 1817316984 PHVYFBVUXBWZHS-MRXNPFEDSA-N 455.519 0.999 30 20 JCED C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2)N1CCN(C)CC1 1822684017 AYLBAFOFDTVZPZ-HZPDHXFCSA-N 461.636 0.973 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824977555 XJTKPCCQFFWQBQ-HXUWFJFHSA-N 483.631 0.846 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828524924 IAKHCUAXISSYNW-DEOSSOPVSA-N 489.525 0.259 30 20 JCED Cn1cncc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828729005 HCVYTVDOPKRHKV-XMMPIXPASA-N 479.493 0.574 30 20 JCED Cc1nc(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)no1 1829330453 HEKACBLIELSJJR-XMMPIXPASA-N 495.492 0.461 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCc2ccc(C#N)cc2)CCO3)CC1 1829632133 QAKZJWWBHWLCBV-SANMLTNESA-N 483.613 0.585 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)CC1 1829632241 WNXTXKPVULCFDQ-RUZDIDTESA-N 469.586 0.195 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056083 LREYPZXJYMJRFA-ZHRRBRCNSA-N 467.567 0.235 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1831409196 NFBOPUZUKNUBGO-HSZRJFAPSA-N 475.546 0.069 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831563233 BYAISYCQEQVONC-VVBPWWLESA-N 482.534 0.021 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1832329063 NWSDLARRIGVNAR-QFIPXVFZSA-N 478.622 0.046 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cncc(OC)c1)CCO2 1832908637 MSKIUGGZJDGDBH-ZKWSMMDQSA-N 472.542 0.338 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(OCF)cn2)CCO3)c(C#N)c1 1833572788 OHOYEWWQMWGDED-XMMPIXPASA-N 499.499 0.975 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833620740 HNRBYEBJRNBZBG-YKSBVNFPSA-N 469.542 0.910 30 20 JCED CN(C)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1833663333 RNBREZOSGHVDOE-COQMUBBDSA-N 475.546 0.747 30 20 JCED CS(=O)(=O)c1cncc(C(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CC4)CC3)CC2)c1 1833941850 FZNWVIOZPUAZAM-UHFFFAOYSA-N 459.572 0.974 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1)c1ccccc1 1835123931 XBGACOIWGHNWJK-WATLYSKOSA-N 453.539 0.919 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)Cc4ccccc4NC5=O)C3)C2)CC1 1835345692 UNDUQRAZHGRIPF-VWLOTQADSA-N 490.520 0.871 30 20 JCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1836863923 XSKZAFSFNILBHV-UHFFFAOYSA-N 453.536 0.511 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1836879853 FISJYFXFSAGCLV-HXUWFJFHSA-N 475.677 0.670 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)[C@@H](O)C=C)CCO2 1837404919 DBQURIACXUXNDP-XHNVNVPESA-N 493.601 0.933 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1837442101 OUFUVLFYSAMCQE-SKLAUCLBSA-N 472.542 0.886 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nnc(-c3ccccc3)o1)CCO2 1837533184 KNXZHJLXIXVUTI-HMLKYZKVSA-N 481.509 0.665 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)n1ccccc1=O 1837686298 FWCQUQKFZQBPBP-QZHPGNLSSA-N 476.530 0.395 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838036825 IRQKLUJTKIXHRW-NVAXRVGSSA-N 454.478 0.820 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)cn2[nH]cnc(=O)c12 1838468446 FACKKOLBPLMRMJ-UTKZUKDTSA-N 463.560 0.355 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccc(OC)cc3)C2)C1 1839173324 KENOQRDQUUHNSU-QPPBQGQZSA-N 476.526 0.694 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCOCCOCCOC)CCO2)C1 1839220474 OUVKLZSEJDBSFD-ZJSXRUAMSA-N 486.606 0.741 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)cc1 1839361617 UPFJOWHTAIQKEU-VWLOTQADSA-N 477.521 0.648 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839413944 DBCCIJBPSIUMGZ-PGRDOPGGSA-N 463.487 0.944 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1839805579 LXSHFMLCAYBKTC-PDIWNELESA-N 465.547 0.084 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NO[C@@]4(CCCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 1839805799 QGUYBVDORMTYRN-BJKOFHAPSA-N 490.557 0.622 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(C(F)(F)F)cc3Cl)C2)C1 1840042302 MRMLPPPTUWGXQS-SFHVURJKSA-N 475.807 0.912 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840076815 IDYJMNODCNGUAP-RUZDIDTESA-N 474.554 0.564 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)C1 1840167792 NIWMCMQPLOBNHI-RUZDIDTESA-N 496.568 0.439 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840176785 VZKZOWNGQOKLGP-HSZRJFAPSA-N 466.579 0.572 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840370233 OOTYBQJZGLLEQE-ZJSXRUAMSA-N 473.574 0.682 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)cc1C#N 1840762921 WQEHRXPBGYFMPJ-KBMIEXCESA-N 484.553 0.942 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)cc1C#N 1840762922 WQEHRXPBGYFMPJ-UQBPGWFLSA-N 484.553 0.942 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1840795489 LCANBSGVNPMQQN-STSQHVNTSA-N 482.578 0.437 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(n4)NC(=O)CC5)C3)C2)CCC1 1840813766 UOBIBROEANFRFF-QHCPKHFHSA-N 453.499 0.730 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1840819891 MJEMEVCJQHGWBR-DEOSSOPVSA-N 476.493 0.750 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840906422 BHNLRCRNZRTWSY-NTKDMRAZSA-N 459.543 0.773 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844296819 DGETVEZGRJKSLW-IFMALSPDSA-N 486.569 0.712 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1847448090 RICNNAGDGTWLTI-AVJBIKLLSA-N 469.604 0.888 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)c(C#N)c1 1848072078 ZQOWBRCZDKBJTC-PMACEKPBSA-N 460.556 0.042 30 20 JCED CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 29720650 XAHUXJZOZGZYBM-KRWDZBQOSA-N 478.619 0.780 30 20 JCED CC(C)C(=O)NC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 60361164 YRSIAQODEFKUOW-LJQANCHMSA-N 475.615 0.875 30 20 JCED CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 483057436 CCHSVOVNMVKKNG-UHFFFAOYSA-N 490.563 0.574 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)cc1 502055079 STXGPPLAWZYIFX-CYBMUJFWSA-N 457.943 0.940 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C)o2)c1=O 514329536 BMSRFWIKJCYRTN-UHFFFAOYSA-N 458.584 0.905 30 20 JCED N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc5c(c4)NC(=O)CO5)CC3)C2=O)cc1 521798713 VUUDQTXLOQQGGC-LJQANCHMSA-N 495.517 0.528 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 522541788 WGCIHEGVBHQOES-HNNXBMFYSA-N 492.557 0.661 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1C#N 604001884 XLLWBQTUXVIPFV-UHFFFAOYSA-N 475.486 0.945 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccc(C(N)=O)cc1 608829006 VWXYRFJTUSAIMD-UHFFFAOYSA-N 482.949 0.917 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O 608911034 FMMXISIIHKBDJC-UHFFFAOYSA-N 468.457 0.713 30 20 JCED CCOCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726404541 ZFRNSBHRZYUPCR-YGCDDZCOSA-N 454.574 0.839 30 20 JCED N#CC(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726576730 ANBMOFIZZICAAM-UHFFFAOYSA-N 494.554 0.793 30 20 JCED Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)c1 744122164 YJIMAIMEDCSZBO-UHFFFAOYSA-N 496.568 0.032 30 20 JCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 812744719 KUBMGWVUCKTBJK-IBGZPJMESA-N 458.496 0.880 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(=O)N1CCCC1 913730589 AOWHBNOBJDOGPD-MRXNPFEDSA-N 464.544 0.422 30 20 JCED N#Cc1nc(N)n(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1C#N 914684960 SILKBJFWXIKDSJ-SOFYXZRVSA-N 481.519 0.955 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 918394376 RGYYACNANUIXNU-UHFFFAOYSA-N 487.563 0.621 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 920294451 IFUYIZOBSKOOIG-ZBFHGGJFSA-N 456.590 0.680 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1136427553 PTYFBPSUAPIXCT-BHYGNILZSA-N 455.558 0.420 30 20 JCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)[C@H](C)C1 1286876845 NLJZKKOJVICOHR-VFNWGFHPSA-N 458.544 0.423 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCCCCC2=O)C1 1302480110 QMWNLWFVWJCBKJ-LAUBAEHRSA-N 497.597 0.846 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1510178323 UINVHHCEAKZFAX-SJLPKXTDSA-N 480.639 0.571 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1519178505 IKBKISPQCWMZEE-MRXNPFEDSA-N 456.528 0.720 30 20 JCED CC[S@@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1617445047 WSCPLTMKBYZRPI-AESQFQPQSA-N 471.591 0.546 30 20 JCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1666858257 VZQMJNRCBUDHCF-KBPBESRZSA-N 453.464 0.353 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(N2CCOCC2)n1 1692786208 SLUONVQVVSGKCN-YWZLYKJASA-N 478.554 0.610 30 20 JCED Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1693400157 GLZWQEKXADOCPA-PBHICJAKSA-N 461.596 0.464 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1=O 1723780257 QFFGTSIPRLBBMY-DLBZAZTESA-N 467.596 0.752 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1778961504 NMMOWIIYFMGAKH-YGKZAACZSA-N 481.594 0.993 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1779102416 HJLKFVATIAXHGG-YQSPIZQZSA-N 461.519 0.898 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1779236333 FBOGMEYIMUYHKO-UUVZMSSXSA-N 455.515 0.829 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780180566 DPCNASSDIPCBEN-WOIUINJBSA-N 460.487 0.509 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780197553 NYXARXGAAWLEIQ-OYHNWAKOSA-N 455.471 0.160 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3c(c2)CCNCC3)C1 1781522564 CLRYXYXAOAXINB-QRJOEMBSSA-N 454.571 0.936 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)C1 1781587291 INRTVYIYWSAXFQ-GOSISDBHSA-N 466.244 0.889 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)ccc1Br 1781901971 AWJFAFDDJDAHGS-QRWLVFNGSA-N 490.314 0.362 30 20 JCED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1782174701 ADRQGXXLXZUXDM-ZTNHSDLUSA-N 450.561 0.825 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)c2n1 1782885719 KLXAAQUKFFAOSJ-ASSNKEHSSA-N 491.574 0.275 30 20 JCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)COc2ccccc2C#N)C3)c(=O)nc1O 1783118342 SYSDELVYTJJBAI-CJFMBICVSA-N 495.536 0.722 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565239 KCUBOHISBLQHAA-AUSIDOKSSA-N 487.513 0.162 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCCNC5=O)C[C@@H]32)cc1 1783602668 HLDXQKAKVFRMEH-IPJJNNNSSA-N 476.537 0.724 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1785720130 PHXDAHGWXNGSBF-DEOSSOPVSA-N 472.542 0.964 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(I)cnn3C)[C@H]2C1 1787777233 HTDDEJXQSHSVGN-BLFANLJRSA-N 478.356 0.936 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1788568429 CYPOSZBSGVIPAP-CAIZAGQASA-N 457.531 0.624 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1)NC(=O)OC(C)(C)C 1789884182 KPVJVEBNNMFXPH-BCYZHJNNSA-N 466.579 0.960 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]21 1791278565 WRVSCGJURCGYJZ-JYJNAYRXSA-N 485.545 0.682 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)C2 1792491514 ZZTCZUIEOORKKE-DEAGSMRASA-N 490.557 0.361 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1792792819 NBFGSCQOZNWYFA-VOFASGIRSA-N 457.593 0.814 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)CC)N(C(=O)OC(C)(C)C)C1 1793322103 OPVQIOAMMWMKSD-ZMMAXQRCSA-N 485.603 0.576 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCOCC1)C2 1793340318 ROKDVEMBZVSSFI-HAGHYFMRSA-N 493.601 0.936 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)C2 1793348045 XWTHFSMYJUBKHC-JHQBWLJPSA-N 461.559 0.727 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795528220 SWWAMUFORQIYLH-JTJHWIPRSA-N 471.558 0.542 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccn3c(O)nnc23)c1 1796289416 YNVDOBYNLDZBBM-HGKCTWBKSA-N 462.466 0.832 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796446492 WAIWANQZDGQDRI-SSJBLBDCSA-N 451.501 0.141 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1)C(C)(C)O 1797743582 CYFIJHZKLFKZEV-HGJOCITESA-N 495.621 0.712 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694792 LKZJTZVSHPZZFU-YNZBODFESA-N 499.568 0.848 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1799306451 GNPRVIWRHLMKOG-BVTLZKPXSA-N 467.522 0.995 30 20 JCED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799707777 UNQXTFGTAMPZGV-JLVBRIDZSA-N 484.372 0.959 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)C[C@@H]2C1 1800698010 PKQBGUQJOGNJMG-RPXQCPFCSA-N 461.515 0.311 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801071491 ICWWKXNXACEYRY-OGJJZOIMSA-N 462.547 0.019 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)C3)CCC1 1801984804 KXDMQXGXOJFUNT-WIYBCGNWSA-N 452.555 0.905 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2 1802139549 DWFYAKPEHHJSHP-KHOYOECWSA-N 494.589 0.197 30 20 JCED N#CCCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806871582 MWHUHFWILYCBSY-IIMDRIAPSA-N 484.582 0.571 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1807145263 INTNGPLWROZTCS-QAPCUYQASA-N 453.503 0.884 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1820940583 JDBXLXJYZGAKHE-LSDHHAIUSA-N 463.491 0.766 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1828578995 AVUDRIZQBMIUGE-UNVFRBQDSA-N 498.580 0.988 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC#N)C2)C1)n1cnnn1 1829396104 DBDPSXCHLVGLPS-WZONZLPQSA-N 480.529 0.990 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)CC1 1829631502 LADOSRBWOSURCN-SANMLTNESA-N 497.596 0.111 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C3)C2)C1 1829670654 HKKNJPYBAFJXLN-JPYJTQIMSA-N 467.563 0.685 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc(Cl)c3OC)C2)C1 1829768688 DUWSGQRXZKHEHT-QATSOJGNSA-N 478.933 0.672 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)cc1C#N 1830050705 WLLGUFUILNOPSL-XMMPIXPASA-N 487.557 0.687 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218600 XOSZYBWRWUPACJ-XMMPIXPASA-N 456.495 0.319 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1831388263 WHGKONXKZXZIKG-UUOWRZLLSA-N 465.510 0.647 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1831397600 SZCOYAZAQBFOJP-HXOBKFHXSA-N 453.499 0.580 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1831997710 FLCGFBBGBHFQQB-CYFREDJKSA-N 491.589 0.888 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)CCO2)C1 1832004063 LUDZJJQIIOOSBN-FLFXDLLNSA-N 499.605 0.962 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1832005836 SFRBNJZMBAAGKH-KOSHJBKYSA-N 492.573 0.773 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(C)=O)C3)C2)c(O)n1 1833699610 FLDXJJCZXOMZTB-QHCPKHFHSA-N 460.531 0.502 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1833725480 IDZKBALETFUSRX-CLOONOSVSA-N 485.585 0.690 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1833864600 JTPRPDDFCPDXBX-DTXYYNOZSA-N 465.507 0.028 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOCC1)CCO2)c1ccc(O)cc1 1835397567 RRNYMNDXEVQASP-BKMJKUGQSA-N 485.581 0.678 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccc1O 1835681416 YPUXFRBEVJLDCX-QHCPKHFHSA-N 460.531 0.753 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837135376 GIHMZWKKTURYDT-GCJKJVERSA-N 461.540 0.846 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1837396123 CDBIZUOCWGTOAK-NLFFAJNJSA-N 486.569 0.520 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837486317 ARLUCLOZQOUEPP-XMMPIXPASA-N 457.527 0.859 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)ccn1 1837490385 BLULDPZSLBFNII-DEOSSOPVSA-N 457.527 0.859 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1837529615 WPVQVZKBKGJPLL-IRCLMUFRSA-N 473.486 0.822 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1837530274 KELRKVSSJKOGAD-BNTSDIQESA-N 499.568 0.738 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1837530621 OGAUHXJKQZEKTP-OXBQNYSKSA-N 451.520 0.539 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837566804 NEDFOHOMPWAJCQ-AVWDHSPOSA-N 466.498 0.440 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1)c1ccccc1 1837613548 ABZSZQIYMSGCAF-NBGIEHNGSA-N 480.569 0.973 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837968524 DVWVYZRBILMFHW-UHFFFAOYSA-N 453.503 0.622 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838249401 UWEZIFUXKPKQKD-ZMTYOYNLSA-N 450.467 0.820 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838366682 SDTRYALIERRQGB-JOCHJYFZSA-N 456.886 0.957 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)CCO2)C1 1838443422 OOBPZFIMUGJMQX-CMJOXMDJSA-N 485.566 0.885 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1839072313 LVVWPMRQIQOVPO-YLNCNTMDSA-N 480.562 0.214 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c(O)n1 1839235355 YKXKRGYMYZGZIC-JOCHJYFZSA-N 456.503 0.268 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420127 PFHGDGOTQROUQM-JOCHJYFZSA-N 457.462 0.823 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(I)c3)C2)C1 1839809064 CUMABMUHETUITR-GOSISDBHSA-N 470.263 0.700 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1839842134 LVDXQOXETMDBGK-FYSMJZIKSA-N 480.525 0.853 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)C2)C1 1840043592 IHGFYLDSXPELFA-JOCHJYFZSA-N 471.466 0.561 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1840081948 QHFPREXRAKQSTM-UNMCSNQZSA-N 492.635 0.093 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCCCC2=O)CCO3)ccc1F 1840105297 JPHUTYOLDDRUJM-DEOSSOPVSA-N 472.517 0.709 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1840175931 NOXXHJXPHBEGTN-UWDQQESISA-N 487.553 0.791 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1)c1ccc(O)cc1 1840219797 GQRFMHZZSATSQB-CYFREDJKSA-N 467.526 0.788 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1840222033 AHVKPMAYIINDDO-FPGHNAPASA-N 482.541 0.593 30 20 JCED CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)OCC 1840281584 CXDZJSPCDSPESS-CVUWTOEQSA-N 471.551 0.761 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840290700 FMKDZAYKXLBRIU-HXOBKFHXSA-N 463.531 0.782 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1840819570 SZOBCNCVOIMBEO-WMZHIEFXSA-N 485.566 0.420 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34COC[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1840839804 GPBBWWBDBCGDPH-OWAUWMPXSA-N 491.585 0.740 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840839831 IEXVRCYOAYALIZ-SZVZZVCJSA-N 493.557 0.943 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3)C2)C1 1840908608 CQPWLJZIMFZJKN-JTSKRJEESA-N 462.503 0.661 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)C1 1841223224 KRUZMVLWALSQBX-SGZXQDBCSA-N 454.527 0.228 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2nccnc2C(N)=O)C1 1844594942 YNICHCXATAXCKI-AWEZNQCLSA-N 458.519 0.862 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1)C(C)C 1846370058 SAWOQONWWZXVKS-PMPSAXMXSA-N 454.593 0.880 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)Nc3ccccc3CC)CC2)c1=O 23850554 OIDCRSCQXNYLAY-UHFFFAOYSA-N 468.558 0.320 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1=O 26640608 YYDKFGITENWVBH-QGZVFWFLSA-N 456.499 0.925 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(OC)c1 502039302 AOPQAQISXFBKSU-UHFFFAOYSA-N 453.524 0.297 30 20 JCED COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 516011083 UBUNKNPLFCDRRQ-UHFFFAOYSA-N 486.506 0.582 30 20 JCED CN(C)CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 516013951 PXVWARDSLSRCEX-UHFFFAOYSA-N 485.566 0.970 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)o1 523254912 XLECKTPWWRBUGY-UHFFFAOYSA-N 484.559 0.289 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCNS(C)(=O)=O 559448596 ZMEWIAMFSYFRFP-UHFFFAOYSA-N 451.545 0.716 30 20 JCED CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 604022740 XRTGWOHGASJWIN-UHFFFAOYSA-N 476.580 0.932 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1=O 726043666 XICPDPGZJHXDLG-UHFFFAOYSA-N 474.445 0.197 30 20 JCED C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 727010959 SPYGJMYMAGJGBM-KBPBESRZSA-N 458.496 0.745 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 729011649 ACBKLJITASJNHM-UHFFFAOYSA-N 458.452 0.661 30 20 JCED CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N1CCN(c3oc(C)nc3C#N)CC1)C2=O 915383866 RVCGFGLIDWYROW-UHFFFAOYSA-N 486.529 0.937 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)NC(C)C)CC1 920303426 TVCRWAALRTVXSR-GOSISDBHSA-N 463.604 0.809 30 20 JCED CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C 1296168566 XTKCNWKKLNTIBE-VGOFRKELSA-N 474.587 0.809 30 20 JCED CN(C)S(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1298104844 XOMGRIGIOFTGKX-HXUWFJFHSA-N 477.570 0.785 30 20 JCED CN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)Cc1ccccc1 1314864017 KBEBRMMUXDRMAY-WOJBJXKFSA-N 489.602 0.472 30 20 JCED CC(C)CN1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1360036361 YOKKRIXYYRWALN-PMACEKPBSA-N 458.611 0.950 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1516972566 KNAVGBDTFDUSKA-UHFFFAOYSA-N 461.548 0.335 30 20 JCED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1=O 1519198303 XIPKIGVDBOOLKA-PKOBYXMFSA-N 472.571 0.935 30 20 JCED CNC(=O)c1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1618610730 IJINFIOYLLBCDV-QZTJIDSGSA-N 458.544 0.511 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)[C@H](C#N)C1 1621715856 YXFNBQMBVRWRST-MRXNPFEDSA-N 450.517 0.967 30 20 JCED CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1710909921 WGLWAUCWLMZROQ-UUWRZZSWSA-N 485.614 0.566 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCOC[C@H]1C 1723612759 PUXPNTDBTHTFKH-GOSISDBHSA-N 467.578 0.730 30 20 JCED Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)n(C)n1 1751827729 OAQWVEJGVANIQZ-UHFFFAOYSA-N 458.548 0.804 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1766648458 OFZPBVFJEUKBNT-UHFFFAOYSA-N 462.562 0.984 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)no1 1779122546 CYXLKBOHPHUNTJ-XGVOGHQPSA-N 463.491 0.072 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1779428478 LWTLVGSDDCCLQV-OBKVLKSSSA-N 450.536 0.556 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779428518 MOBNFVOIPJSEJV-QZROQKKHSA-N 469.535 0.645 30 20 JCED O=C(O)c1cnncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1779696295 YQAYNYMRPBHJFT-OZKBXORBSA-N 475.502 0.831 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C3)c1 1780086301 PUPINNYMVMBMPK-AUSIDOKSSA-N 457.531 0.966 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2nc[nH]c2[N+](=O)[O-])CCO3)c(C#N)c1 1781172405 OVAHKOQGSJOXGA-OAQYLSRUSA-N 454.443 0.884 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1781271078 XXCQPPLSQNTGJT-HOYKHHGWSA-N 495.573 0.962 30 20 JCED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1782174699 ADRQGXXLXZUXDM-KXUBAAQCSA-N 450.561 0.825 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOCCOC)C[C@@H]21 1784505061 BFUAOVYNVULDEY-MLNNCEHLSA-N 486.606 0.644 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)nn3)[C@H]2C1 1785845935 GKQOJUHPKLQNTL-LAQRGFTBSA-N 473.530 0.692 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1788637257 LLIHZVLNEYGUJJ-CADBVGFASA-N 452.573 0.242 30 20 JCED O=C(Cc1ccc2ncnn2c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1789715932 JFKWXLVMVMVFDE-DFRCKQQJSA-N 450.499 0.964 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1791108129 NLRCFBNQTTUEOS-WPVAHCMFSA-N 461.559 0.750 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791378836 CQOZGHHYHOKNPK-XSLAGTTESA-N 461.515 0.620 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)C2 1793340374 UPODLFKDVQXSHD-UYZIEWPDSA-N 471.558 0.330 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN(C)C(C)=O 1793748723 FKNJJKWMLOEUKW-DGPQGTHCSA-N 478.590 0.914 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1797711506 PVFRNVCHFZJSSG-RHQZKXFESA-N 481.590 0.785 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1797712712 SVZZMTMIVUYKDV-ILOCAZANSA-N 497.589 0.606 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1797815578 OYZCYSIDHALZQX-DKYZXHQASA-N 462.547 0.506 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797835499 HBJSPXASZRFZNA-NIVUTHITSA-N 464.519 0.174 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797839896 ALQIUZUZGURKSH-QHITYQDRSA-N 450.492 0.131 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C3)c1 1798580216 PAMPLYPYSCYTAF-GMQQQROESA-N 480.525 0.241 30 20 JCED Cn1c(=O)c2c(CC(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(C#N)c[nH]3)csc2n(C)c1=O 1799423117 DFLHRXYPQMQXLO-MUJYYYPQSA-N 480.550 0.993 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1800836468 CRTULQJUUMCRMI-KWXDATOUSA-N 492.573 0.926 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801009005 LWVUKISQXCLRCW-RPXQCPFCSA-N 481.546 0.108 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(C(=O)OC)cc1 1802228845 ASFCNOWRMXNYQJ-ROAZTASUSA-N 471.510 0.300 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808737290 ZVXWFSMQVYPBGT-FVJLSDCUSA-N 474.514 0.451 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1808848531 CYUWCWABASKSHG-DDUZABMNSA-N 467.490 0.328 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)n[nH]1 1817682367 AIMYJILVIMAOIR-MWWKQMNYSA-N 487.542 0.726 30 20 JCED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN(CCO)CCO)CC3)c1 1823669429 JQGDHLSLCQPDPC-AWEZNQCLSA-N 461.519 0.666 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828495695 HJUQIUYYWGTPLV-NLFFAJNJSA-N 498.536 0.441 30 20 JCED CCS(=O)(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1828580789 SAESHLYFTXDJKC-JOCHJYFZSA-N 476.555 0.787 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCN(C)C(C)=O)CCN2C(=O)OCc1ccccc1 1828624697 DBEWEHMEPRLQCP-XMMPIXPASA-N 454.527 0.940 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C3)C2)C1 1829670530 APZUCTIAYKBMIL-JPYJTQIMSA-N 467.563 0.685 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C1(O)CCC1 1829739679 CTHHQAJBKAEKJZ-DYHJMRMTSA-N 453.536 0.523 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(F)c3)C2)C1 1829763008 XWKWPYOULJKGEK-FUMRIQNTSA-N 461.490 0.763 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)NC(=O)OC(C)(C)C 1830064390 KPSFGOXWZWWMMO-MWTRTKDXSA-N 496.561 0.449 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)CC2=O)c1 1831207456 LRVWVPJDNHYBOL-FQRUVTKNSA-N 481.549 0.918 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831324753 TVOHFTCRAYQNET-XOUMOGSDSA-N 499.611 0.271 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(cnn4C)c3OCC)C2)C1 1831394124 WVRGPIBOBYJPNY-XDHUDOTRSA-N 485.541 0.475 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC#C)NC(=O)OC(C)(C)C)C2)C1 1831401743 DRRIJRCFEKTENH-IECBHUPTSA-N 477.558 0.398 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 1831402115 OELXYWZDFGERHW-IMWIBFENSA-N 479.574 0.881 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1831402488 IMDVHQXRXNZHDE-KHCICDEESA-N 457.527 0.300 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)ccc1F 1832026989 WHSWZAMJTBPWCF-DEOSSOPVSA-N 484.484 0.011 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)CC1 1832134713 CESRLLQRDNVSQJ-XPWGKKGLSA-N 484.601 0.935 30 20 JCED C=CC[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1)NC(=O)OC(C)(C)C 1835068481 KIKANYMJNJZDCC-ICSRJNTNSA-N 480.654 0.704 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348053 NJASRIKKSHMYTK-MWTRTKDXSA-N 494.545 0.203 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)=NO2)C1 1835362085 CYZUVJPAQMPVGM-HSZRJFAPSA-N 491.545 0.512 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1835682950 ZQJLHGYNYWVXPH-BAEUJYSMSA-N 495.580 0.635 30 20 JCED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)C(=O)O 1835760538 ZHROSLRXHOIKGZ-LLTUXLDESA-N 465.528 0.006 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(CCOC)n3)CCO2)C1 1836551063 COIQSUSBNXLUFX-PGRDOPGGSA-N 450.536 0.173 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1837309558 OVGSUCJEWJBNLZ-MHECFPHRSA-N 471.558 0.855 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837489243 AIGYYYJGTLFAIU-XMMPIXPASA-N 467.526 0.727 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)c1 1838374369 IUEWLOSMGKASCP-QFIPXVFZSA-N 453.455 0.446 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)cc(OC)c1F)CCO2 1838550357 XTBRCSCABVZSMR-VRWDYKOXSA-N 491.516 0.771 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)[C@@H](O)C1 1838629377 QGOJGEURLRWLRQ-OALUTQOASA-N 493.557 0.301 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1839173612 BJKISDSGSAETSE-JOCHJYFZSA-N 458.471 0.802 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1839174829 YYTPFLAYLDPGQB-QHCPKHFHSA-N 451.564 0.828 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1 1839174867 BCOKXOBHENFTJR-VGSWGCGISA-N 453.536 0.257 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489318 QUQRUHZCKJMHDX-GOTSBHOMSA-N 485.497 0.120 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)nc4ccc(F)cn34)CCO2)C1 1839526051 XNBPTHDBMFBZJG-UZUQRXQVSA-N 458.490 0.890 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](C)ON=C(C)C)C4)C3)(C1)C2 1840006264 WPPDVUNZVPMSMH-QXFGJNNOSA-N 451.520 0.587 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN(Cc4ccccc4)C3)C2)C1 1840040948 HIXWKHLYHXPWSA-OFVILXPXSA-N 469.538 0.443 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C2)C1 1840041519 RNZHTBAYOWNOSD-IGGQGXQVSA-N 467.522 0.909 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCSC)CCO3)c(C#N)c1 1840199606 GAZBZJFRPVSSCN-REWPJTCUSA-N 477.583 0.680 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1)c1ccc(O)cc1 1840222388 NKLOBHCXNFVEQO-CJFMBICVSA-N 455.555 0.907 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1)CCO2 1840316162 GFLJPTXKOQVAHA-NZQKXSOJSA-N 475.567 0.238 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1840882721 QQOUZADJEYMTDW-MBSDFSHPSA-N 481.546 0.313 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1840908162 BTIXKPZIBYJBLU-YEWNNSEMSA-N 493.601 0.911 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C1 1841230650 IZEHJUYEFSUXSK-XWAIPHQWSA-N 496.630 0.710 30 20 JCED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1)NC(=O)OC(C)(C)C 1842948387 MWJIIWMVZSKDHZ-HZPDHXFCSA-N 451.568 0.642 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1845229515 CQGXFUCOEZDLNH-INIZCTEOSA-N 451.568 0.747 30 20 JCED C=CCNC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 10056366 GUOFYZHLAHWADW-UHFFFAOYSA-N 464.544 0.855 30 20 JCED CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 478115772 ZCSYXYOMUVHEJU-LJQANCHMSA-N 468.601 0.985 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 495328111 MPQAQTCAYKMVGL-UHFFFAOYSA-N 473.467 0.947 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 514654461 IGSLISJPVPITJO-UHFFFAOYSA-N 461.540 0.611 30 20 JCED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 516485649 MILOJKIUMZEZCA-UHFFFAOYSA-N 485.570 0.557 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCO3)c1=O 522277096 HMBLJCHNEYBIND-UHFFFAOYSA-N 457.508 0.037 30 20 JCED Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3csc(C)n3)c2=O)c1 565439156 DTJXKSGTSMFAIN-UHFFFAOYSA-N 495.630 0.924 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnnn2Cc2ccco2)CC1 590615124 TZFGSWXNUXRQOT-UHFFFAOYSA-N 473.540 0.811 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 603987518 NGHPGQDQJWRRBB-UHFFFAOYSA-N 477.568 0.241 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(=O)N(C)C 609220398 XRSSMHYAIVCWRS-UHFFFAOYSA-N 468.579 0.741 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 725762968 BCEJRZHSPZXVRC-UHFFFAOYSA-N 486.642 0.565 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1-c1ccc(C(N)=O)cc1 726577166 KOXHXXNRPQXRCF-UHFFFAOYSA-N 482.525 0.704 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCN(CC)CC3)sc(=Cc3ccccn3)c2=O)c1 726579591 JSSZSDMTJAWPHF-UHFFFAOYSA-N 469.570 0.942 30 20 JCED CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 743433759 JPVYTJMTJWJTKX-PWEHGMCJSA-N 463.560 0.813 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)c1 753643686 DSMNJILMUULZDH-HNNXBMFYSA-N 450.513 0.945 30 20 JCED COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 875302317 AYPLVOWWGRHECB-UHFFFAOYSA-N 472.479 0.430 30 20 JCED C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918261642 XSRUCEZEIPIWAW-SAZKUCFMSA-N 451.549 0.275 30 20 JCED N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c1 918428841 QDVUSQQHINMMRX-UHFFFAOYSA-N 483.506 0.555 30 20 JCED CCN(C(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 919315586 ITRULGLZSMNQOE-RHSMWYFYSA-N 456.542 0.440 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1288254298 HDJCQXNVNQJYPF-XMMPIXPASA-N 483.573 0.527 30 20 JCED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1309042395 WEKOJHSSLHVKPW-UHFFFAOYSA-N 456.999 0.815 30 20 JCED CC[C@H](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)OC 1512765773 PLZALFBDEQNHMS-QAETUUGQSA-N 456.569 0.401 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 1517932376 YYSHLFMJGBGGGY-MRXNPFEDSA-N 456.528 0.720 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cccs2)C1 1519563840 PWWTXCGEPIQQQU-GOEBONIOSA-N 452.562 0.644 30 20 JCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1554482092 SNGKFDNQACEVPP-UHFFFAOYSA-N 452.519 0.527 30 20 JCED C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1692807380 FAXRADBEPVMFSA-LQWHRVPQSA-N 482.607 0.671 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1694793508 MRSWXKGVSJWSKQ-KRWDZBQOSA-N 461.548 0.335 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@H]1C 1698089222 ZHTRXWYWIAYYLC-QGZVFWFLSA-N 461.592 0.865 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1nccs1 1706887017 GYJDCKJFUGPACW-UKRRQHHQSA-N 450.594 0.764 30 20 JCED Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1729586019 UJVCGVNUNJINQZ-QFIPXVFZSA-N 450.478 0.989 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCOC1 1741938407 IONSSWVLFLLDPQ-AEFFLSMTSA-N 474.591 0.908 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749223591 CSRORXWMAALUAG-BURFUSLBSA-N 467.596 0.116 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cn[nH]c2)CC1 1765649942 QZNDDEYXAXTJIU-UHFFFAOYSA-N 463.546 0.953 30 20 JCED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1770317787 QPJHFBLVYFJNDB-GOSISDBHSA-N 458.544 0.689 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4CCN(C)CC4)C3)C2)c(O)n1 1778258023 PYYHMWHDANKSND-DEOSSOPVSA-N 457.575 0.597 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn2[nH]cnc(=O)c12 1779102080 AWDRIZLVUZIZAM-NIFSPFKFSA-N 472.502 0.304 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1)N1CCN(C)CC1 1779397073 MFEMCOHUPRFYHB-SGIRGMQISA-N 474.646 0.835 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1781266859 BUXZKLBWCLDPSN-HSZRJFAPSA-N 478.567 0.972 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1)C(C)(C)S 1781321087 GFIFBLSZVRBHGX-IERDGZPVSA-N 475.608 0.427 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1781401019 LGPIVVZOHSUNNB-WCJKSRRJSA-N 483.566 0.386 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CC1 1781790066 BYBOPOYWWNTQDC-HSZRJFAPSA-N 474.583 0.868 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)CC1 1782017764 LIXLIXBRYDNTJX-HOYKHHGWSA-N 492.573 0.141 30 20 JCED O=C(O)CSCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1782223290 CGKQAQGAPGKJCH-OWDNUYCASA-N 457.549 0.847 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4sc(C)cn4c3=O)C[C@@H]21 1784483666 FOECITJWPPFGLO-LAQRGFTBSA-N 458.540 0.696 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2)NC(=O)OC(C)(C)C 1785307626 FKIWWOYDWCQTOI-NLFFAJNJSA-N 493.649 0.923 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1785429264 PIDFPRRGZQCOJP-SKPFHBQLSA-N 470.526 0.892 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1785578073 VUDXWLDOXOZEOL-GSHUGGBRSA-N 469.604 0.847 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787494349 KKSDTCZVXDCQJO-QNHTTWNFSA-N 455.540 0.954 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@H]32)c(C#N)c1 1789843255 BHOMUOLYUOGJNE-SEONNTABSA-N 454.527 0.615 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cnc(O)nc5O)C[C@@H]43)c2c1 1790327244 YCUYMFBBTNYSMV-NUTKFTJISA-N 463.454 0.543 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21)c1ccc(O)cc1 1791331017 BMKQXJTZKWHGQO-QIJZPMMNSA-N 493.497 0.594 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)c1 1791392398 IEVNLWNYCMCTOR-UFYCRDLUSA-N 450.495 0.396 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)no3)C[C@@H]21 1792256533 FLEHDIYHNUBJRD-JKQORVJESA-N 462.503 0.890 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)CCOC1 1792633467 SIMKBARCKFIWLC-JEZSTIGHSA-N 450.536 0.810 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)CC1 1793664720 NMVTYSDUHUTJGN-BJWYYQGGSA-N 462.547 0.642 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597338 FXAUTBUDLDSCJA-OPVJXMOQSA-N 495.621 0.789 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795602707 ZNPYBJQTLIDQMX-ALXJQNPVSA-N 451.568 0.773 30 20 JCED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795996963 GSDQOHYLPITZMW-YGSHXTJESA-N 453.421 0.700 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796142030 NWJYCOSPDDETFC-YYAJDYIMSA-N 474.514 0.613 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O)NC(=O)OC(C)(C)C 1796325485 XLMNRYVQQWNYCK-OREBXVKISA-N 481.594 0.882 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COc1ccccc1N)NC(=O)OC(C)(C)C 1797660601 JYUVCDAVTLSPDA-HPNQWNLUSA-N 472.542 0.764 30 20 JCED Cc1nn2cc(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/N3CCCCC3)nc2s1 1797740525 OGWZHNGGDGAPTB-IKGGIKOKSA-N 459.576 0.703 30 20 JCED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1797968977 XHSWYJSBCLCTPP-NBMJBFSESA-N 482.459 0.931 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2)C3)C1 1799200089 RCYZKGVSAIODKF-VIYGXFRKSA-N 484.553 0.989 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)ccc1Br 1799710228 GGRMKAHNOSWEBV-MIFYACCESA-N 499.325 0.727 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO)c1ccccc1 1800580738 MSPLUOBWWZFBSU-JTOYRKQZSA-N 457.571 0.060 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(-c3ccccc3)nc3sccn3c1=O)C2 1800776097 RSJUQDYFHLGOGX-CWPLJXCYSA-N 492.513 0.714 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778783 GIYAERFFJNSXOI-CLWJZODNSA-N 475.542 0.701 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(C)n(C)n1)C2 1802124697 HPQMGLXQFJLFPN-NZGUISNBSA-N 473.574 0.777 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nnc(C)o1)C2 1802127508 QSXDXEABHKXTEW-RCJHGTSTSA-N 461.519 0.427 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1803605201 UPDNRYNREVGSJP-SXLOBPIMSA-N 468.645 0.772 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1804188317 SHXHLKPHMQTLFS-PGRDOPGGSA-N 467.526 0.338 30 20 JCED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4cc(=O)n5[nH]nnc5n4)CC3)C2)cc1 1804942928 LLKGGPDPBBYUMT-UHFFFAOYSA-N 460.498 0.772 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1808434123 YEBKPMHVQWWVCQ-XKGZKEIXSA-N 480.587 0.925 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810277979 BJSTYBKJJCVVKL-XAQXNHKFSA-N 478.619 0.887 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]1c1cccnc1 1810339866 WLFSNWUAGLCZFZ-HUJKARHJSA-N 459.499 0.621 30 20 JCED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@H](NC(=O)CNCP(=O)(O)O)CC2 1819948048 NFPMECDWVKJBLU-MBCCIFHSSA-N 455.433 0.492 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822202045 BLNYXAMEOKGUKV-CABCVRRESA-N 463.491 0.766 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824974276 LPRMXIYDBBFGIE-HXUWFJFHSA-N 481.663 0.618 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829050862 ULNLPGFHDBQNAB-PGRDOPGGSA-N 479.528 0.936 30 20 JCED CC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1829300845 MPTYBXCKBVOKLX-RUZDIDTESA-N 466.538 0.988 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1ccnn1 1829335278 YPBASDGGBAZRMI-MHECFPHRSA-N 494.508 0.379 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1829348026 IYPRNNRWTOJNPC-HFZDXXHNSA-N 497.596 0.835 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)CCN2C(=O)OCc1ccccc1 1829476092 MAAWPDNIHQTISJ-HSZRJFAPSA-N 455.515 0.520 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829881743 NRLCAKCAEVWVGH-CYFREDJKSA-N 478.590 0.455 30 20 JCED CC(C)(C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ncc(Br)cn1 1830941617 VOPSLOUVDVCIRN-HXUWFJFHSA-N 495.330 0.061 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)[C@@H](F)C1 1831135625 HSTYPUBMNUHGNF-JLHGSKIFSA-N 468.526 0.952 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)C2)C1 1831387841 RULVZLRBLRNSDU-BVZFJXPGSA-N 490.553 0.750 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1831396682 PHPOLBSTFLJLIB-KWKTWUSGSA-N 453.495 0.517 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1831410595 CPHFPLPOYKQBBF-UROCCOEBSA-N 475.542 0.891 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1831999152 XHPPDQAQGVNFJE-YGKZAACZSA-N 480.562 0.191 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1832000267 JWFATXSZIBWJBG-YTZAWJCFSA-N 494.589 0.603 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1832801037 PGWVGHVYVGAMBB-OAQYLSRUSA-N 454.443 0.433 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835518509 LXURUTGBMSMKGO-KBJGYGKASA-N 497.618 0.539 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836787816 ZTYAVFRHYYJJNP-DEOSSOPVSA-N 469.542 0.533 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837159735 CHKLVNQTGJMQAN-JKJLQIMHSA-N 454.531 0.876 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524864 ICMVGOKXLMBZTO-SPTXLCGFSA-N 452.552 0.456 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527522 OYEHWEFXKZZPFO-USLBPWFCSA-N 465.551 0.254 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837529448 USQFDCLLWAJQHW-OCHJIWAFSA-N 486.569 0.686 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837531294 HNNGYHHBKSPRFK-SRPASBJTSA-N 482.534 0.501 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1837634219 XMJQXTSIZXPVDC-DEOSSOPVSA-N 479.493 0.427 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837758582 XZXHTVRZAIEEBB-QHCPKHFHSA-N 474.562 0.277 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838404596 GJFZYQJLGDLDDB-NLUQEXNMSA-N 482.578 0.665 30 20 JCED O=C1Nc2ccccc2Cn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cc21 1838442738 RSVTWUSDBBVVGN-SANMLTNESA-N 489.532 0.981 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3c[nH]nc3cc1Br)CCO2 1838524466 MXQYCWLJKGKEJG-HXUWFJFHSA-N 491.298 0.483 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(C)C(=O)CC4)C3)C2)c1 1838579656 WVXQIOWDRWEWFF-QHCPKHFHSA-N 469.498 0.245 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598368 CSQLPFFQYAJABG-UTKZUKDTSA-N 480.905 0.346 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1839175204 UQLLCSHCNYXYIY-HSZRJFAPSA-N 456.499 0.914 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363407 TXOHFMJWIZKDDL-URXFXBBRSA-N 487.509 0.317 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnc(OCF)cn5)C4)C3)c2c1 1839487661 RQHXIVOCFYAYMM-HSZRJFAPSA-N 495.471 0.914 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839517937 HCRCKVKQZFTQAZ-JBMWNJKUSA-N 457.487 0.448 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840017328 FQINHWIQQLVSHS-BAEUJYSMSA-N 497.548 0.862 30 20 JCED Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040937 GUIYBXWFXRMMHL-HSZRJFAPSA-N 490.513 0.530 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C2)C1 1840041520 RNZHTBAYOWNOSD-JVAYHFFQSA-N 467.522 0.909 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(F)c(F)ccc4c3)C2)C1 1840044284 BKZBAKVANGZRGL-JOCHJYFZSA-N 459.405 0.671 30 20 JCED COc1cc(/C=C/C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(OC)c1OC 1840044359 FPBDPPAXBLRHAE-JVPDDCAZSA-N 488.493 0.270 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1840159271 ZYCWHODGZWGVOH-XOBRGWDASA-N 451.570 0.838 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2cncn2)CCO3)c(C#N)c1 1840420259 FVPYDWALHWFJLB-GAJHUEQPSA-N 468.514 0.418 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840550848 UFAANLYCFWERLQ-FQEVSTJZSA-N 453.492 0.202 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1)NC(=O)OC(C)(C)C 1840795485 LBQZBQKQZSTFIN-XFAGBWLFSA-N 494.589 0.581 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1840912525 KOMJROHUFATZSL-UOKFIYJESA-N 489.573 0.960 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1840944847 FCCXKVODHSTPTK-FQEVSTJZSA-N 454.499 0.706 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1844239008 KJROWURIUYJTCI-OAHLLOKOSA-N 499.572 0.903 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)NCCC#N 1847639077 DDQZIHWIYAGWIF-ULQDDVLXSA-N 451.568 0.746 30 20 JCED C=CCn1c(SCC(=O)NCC(=O)OC)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 23557712 GTCDLXSXYPPJBY-UHFFFAOYSA-N 495.583 0.533 30 20 JCED CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 24185892 LQZIFOSTPVIBPW-UHFFFAOYSA-N 478.552 0.887 30 20 JCED CN(CCS(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1)S(=O)(=O)c1ccc(F)cc1 24442702 NGNYZLKSYYHNEN-UHFFFAOYSA-N 467.548 0.865 30 20 JCED C=CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2)CC1 105518433 CRGAAYOBFBTIGB-GOSISDBHSA-N 454.618 0.533 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccc(S(C)(=O)=O)cc3)c2=O)cn1 523580863 KMSCSUFBONRMTF-UHFFFAOYSA-N 499.618 0.794 30 20 JCED C=CCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 596337741 OHBDSSYHSGBBJI-FQEVSTJZSA-N 482.589 0.214 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 603792728 JXNVEAQWNCKYGJ-UHFFFAOYSA-N 465.478 0.971 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC1 604169026 PMCHGQLKNIXGBO-UHFFFAOYSA-N 454.512 0.780 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CC(=O)N(C)C 604269868 GVIPKHISILLVSX-UHFFFAOYSA-N 456.568 0.271 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccsc2)c1=O 604270153 PXTPYCJMXCYMII-UHFFFAOYSA-N 496.570 0.972 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 608828547 AZGUPNXJSXCFRE-UHFFFAOYSA-N 497.602 0.673 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O 608912333 RNGWYLBSWROAOT-UHFFFAOYSA-N 450.520 0.930 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)C1=O 726041302 ZSUJPKPWGNMCGE-HUUCEWRRSA-N 458.471 0.759 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1OC 726577281 LWFUKJYCSPVSLU-UHFFFAOYSA-N 482.543 0.649 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cc1C 727008290 NLCLYSKNCMQQPC-UHFFFAOYSA-N 498.561 0.981 30 20 JCED N#CCn1c(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc2ccccc21 729321521 DJIFTEFOTQIUIC-INIZCTEOSA-N 450.542 0.440 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCS(C)(=O)=O 729672960 ALFRFWFUTPHBGA-UHFFFAOYSA-N 451.545 0.513 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 746483641 KPCVPGLEPPABHQ-UHFFFAOYSA-N 499.589 0.850 30 20 JCED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 825370513 UPHQNJBFCUMOND-UHFFFAOYSA-N 452.471 0.541 30 20 JCED COc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 837286118 UMZYRRJBUYMPJF-UHFFFAOYSA-N 451.508 0.003 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CCOC 838251211 QXVWORMKSGZEND-UHFFFAOYSA-N 461.927 0.786 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(-c3ccc4c(c3)OCCO4)c2=O)cn1 839369677 JQXOTHPOPRIQDU-UHFFFAOYSA-N 489.513 0.816 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 856433826 CWGMYKIETRFHKM-MRXNPFEDSA-N 459.528 0.835 30 20 JCED CC(C)[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(N)=O)C1 877729799 AHCBPBCJXIIXGU-DYVFJYSZSA-N 450.517 0.017 30 20 JCED CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 916692261 BPYQYJLTNYLJPO-MOHJPFBDSA-N 478.575 0.700 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cnc3sccn3c2=O)CC1 919265550 NZCQXRZOUGJTFL-UHFFFAOYSA-N 487.519 0.318 30 20 JCED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1152035333 LAIQBPYNTKREBT-GUTXKFCHSA-N 451.501 0.457 30 20 JCED CC(C)SCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1288429183 QDIIFZUDFGENNP-QZTJIDSGSA-N 483.664 0.929 30 20 JCED N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1292655481 QPMAAHNMEHEWBB-CABCVRRESA-N 458.334 0.314 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1298286587 XWQNEBPRNZSVLF-RXVVDRJESA-N 492.627 0.987 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(N(C)C)CCC1 1303861571 GUPFGBIMCLHEPH-NVXWUHKLSA-N 450.613 0.549 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(N4CCC[C@H]4C(N)=O)CC3)CC2)cc1 1321440242 LLFXQXGHTQQLCV-NRFANRHFSA-N 473.599 0.900 30 20 JCED CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H]2CCS(=O)(=O)C2)cn1 1326932257 UZHJOOBZEVVTMS-UONOGXRCSA-N 463.545 0.840 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCS(=O)(=O)CC1CC1 1541922608 LCWVJDATGMSLGW-CQSZACIVSA-N 458.610 0.843 30 20 JCED CCOCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1548065796 PAOFFRQLBBTEFF-MOPGFXCFSA-N 495.650 0.850 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H]4CN(C(=O)C(F)(F)F)C[C@@H]4C3)CC2)o1 1617918158 LHBMLAWFKBOBEA-CABCVRRESA-N 454.453 0.846 30 20 JCED Cc1ccc(C(=O)NCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1693015985 OUWRCSMTHGJLPS-PKOBYXMFSA-N 489.602 0.945 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCO1 1706049568 JCAGMWYQMATKGG-IBGZPJMESA-N 453.503 0.017 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1730789316 RYUZKCJEQOOICZ-IBGZPJMESA-N 473.603 0.867 30 20 JCED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1742914320 OHUCRNIBVQXBSU-OAHLLOKOSA-N 461.548 0.287 30 20 JCED CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1750203200 XGAXJBFVKWEKRA-SFHVURJKSA-N 460.560 0.684 30 20 JCED C[S@](=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CC1 1750220295 WJJAXEUBCMEBMQ-DFYVNMARSA-N 470.621 0.652 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777714662 DEYZGKMUZFTMJC-AVBTWRTFSA-N 481.575 0.767 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)n4[nH]nnc4n3)C2)c1 1777821505 KTONQULSPZIPFS-WZONZLPQSA-N 492.496 0.134 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1779021798 VTURGHBAGHUJOH-PCVHLMMSSA-N 483.613 0.923 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1779104989 IOJRISDJWRDDLN-GZSGANMRSA-N 462.547 0.746 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(OCC)nn2)C1 1780235568 JQAQRTBLSNHVCH-OPGZNZQISA-N 457.531 0.861 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780600180 OFHFWSFVKDBAKB-FDDCHVKYSA-N 458.515 0.887 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c([N+](=O)[O-])c1 1780816321 ZVOIJHJEMAGCNY-XMSQKQJNSA-N 459.455 0.748 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3I)C2)C1 1781784043 QKCOWCRDOIKOPV-SFHVURJKSA-N 486.237 0.962 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1782668525 XXKJKAMOMVSSBN-ONBDIYLASA-N 473.530 0.559 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1783130880 UPIMTMILIXKTBL-CJFMBICVSA-N 480.521 0.766 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NC=O)C2 1783268908 ICQHFMLNWCOXIQ-YTSMVRMISA-N 464.563 0.551 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1784014375 YNEIBLJIXOJHNY-ZDDFAFCGSA-N 493.605 0.660 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784196006 WAVHTHMLDYXPCL-BCYZHJNNSA-N 469.579 0.833 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1784492486 SNSDACNILWQEEV-FHWLQOOXSA-N 457.593 0.375 30 20 JCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1784532810 FRKZNWGBPDASPU-WXRXAMBDSA-N 456.590 0.386 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1784785956 JVZSPOCNDUPYDJ-WOYTXXSLSA-N 466.535 0.544 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1785578432 ZLSPNUJGJCIYJO-USIODYLJSA-N 474.558 0.568 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)N1CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1785614878 NATFQVXDWYTGEF-OIMWQHCXSA-N 461.515 0.692 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccccc4n(C)c3=O)[C@H]2C1 1787973910 OTGUJWCCVQYYBW-TWRSVOCQSA-N 479.537 0.385 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)[C@H]2C1 1788201140 WTNOTXDYPRHWIF-UNQDASJSSA-N 496.608 0.726 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1788660555 XIHKVQFMSAKJNX-JPMYMBFWSA-N 484.513 0.212 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789881418 OWWAXKFNRMDDAM-DEPCRRQNSA-N 478.590 0.797 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)[C@@H](O)C1 1791076565 KFXKEAPKOFPPBT-DFQYRXGOSA-N 493.557 0.062 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1)[C@H]1SC(=N)NC1=O 1792557291 YDOJTVFBVRGSIV-NOYSFJLSSA-N 455.540 0.493 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1792887527 IXKWXJKHIOLHBZ-NNXHMXCWSA-N 455.552 0.035 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2 1793361735 RLNLZLWUMXHSHS-IECFSIQFSA-N 469.579 0.831 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(-c2cccnc2)c1 1794443389 LEXUKAKUXQJMKM-OPVJXMOQSA-N 451.531 0.752 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccc(-n2cnnc2)cc1 1795493754 YKHYPSGKYHVSJM-FSHWOVLXSA-N 468.514 1.000 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)c1C(F)(F)F 1796602140 YGFSETUAMKRGBS-IEWDVVTQSA-N 455.437 0.501 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)NC(=O)OCC)c(O)n1 1797583663 KCLXDDHEPSZCNY-ACNBBOPNSA-N 462.503 0.174 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1797782701 KGHLJNUFXVNATR-FEJSZKPUSA-N 466.538 0.957 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1799356822 ZCMMDRHKOCINDN-YVSFHVDLSA-N 450.536 0.546 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1800199857 KQEMDVVSWFOAIW-GJPCKUABSA-N 461.522 0.904 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC=O)C2)NC(=O)OC(C)(C)C 1801931626 TXJFNLWTXOCGDC-NRUGXNMXSA-N 452.552 0.570 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)[C@@H](C)CC)C2 1802126012 AANZQANOYMSXLG-XEZGLNCPSA-N 450.580 0.866 30 20 JCED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)cc1 1802580938 PJTWRBQDKAJPGQ-XMSQKQJNSA-N 483.492 0.642 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1808434120 YEBKPMHVQWWVCQ-IMFGXOCKSA-N 480.587 0.925 30 20 JCED CN1CCN(CC(=O)N2CC[C@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)CC1 1810286514 MAZKUKQCKUXIBK-KELNXXOKSA-N 455.607 0.807 30 20 JCED C=C(C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1)C(F)(F)F 1812678477 VJNXQZHVPWTJBG-DOMZBBRYSA-N 462.392 0.646 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1814063113 ZVONCJCIARSPOO-YCRNBWNJSA-N 464.526 0.631 30 20 JCED CNC(=O)CC(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828922286 DQBMIQUDWBMCAT-QHCPKHFHSA-N 455.515 0.878 30 20 JCED O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828972655 AQOOZXKUFTWRPK-QGGRXXHISA-N 486.533 0.575 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1829344990 FPMFASKVGVBFIB-TXBYWVTISA-N 491.614 0.350 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCSCC2)CCO3)c(C#N)c1 1829714664 BJGVAKCEQQRBNE-XMMPIXPASA-N 488.610 0.615 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C(C)(C)C)c3)C2)C1 1829764213 HRSBBZRWJIBAAN-KSEXMQBYSA-N 459.547 0.567 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1829770143 FCKKGGCANSCBRU-PAUWSZDUSA-N 496.564 0.347 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831225770 ZLIVGIIVNUUERJ-RPWUZVMVSA-N 477.558 0.228 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COCCOC)C3)C2)c(O)n1 1833698726 MFSBBEWGIRNXOI-HSZRJFAPSA-N 463.531 0.639 30 20 JCED CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)c2C1 1833749705 IQMULIWKNMLAGD-JOCHJYFZSA-N 474.518 0.644 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(CC)n3)CCO2)C1 1834411465 SCQJAPQBOUFEQM-UUOWRZLLSA-N 489.573 0.890 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756185 TXSIVYHZUWEJKQ-AQOAWAETSA-N 466.535 0.381 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)Cn5ccnn5)CC4)CC3)c2c1 1834898651 ZQHQFAJYFMOVFM-UHFFFAOYSA-N 461.530 0.911 30 20 JCED C=C(C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1)C(F)(F)F 1834973424 ZRNPNZKWRKYNPM-UHFFFAOYSA-N 468.440 0.116 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCC)CCO2)C1 1834981470 NXFPLJUBFNOFKE-JTSKRJEESA-N 455.552 0.949 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835659821 ASNNXEPLKZCMGU-SREVYHEPSA-N 460.575 0.902 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1835677160 JVGYUABSYJXTDI-HSZRJFAPSA-N 454.531 0.686 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835681158 QQWAIZKGNSKZSO-XMMPIXPASA-N 471.558 0.997 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1)n1cnnn1 1835754297 XTDRSOGEZCOBFO-GOSISDBHSA-N 457.579 0.504 30 20 JCED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)n1 1836065863 CMDPRQIPEHKRRM-HSZRJFAPSA-N 453.499 0.881 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn4ncccc24)CCO3)cc1 1836466824 MNRLVKVVFOYVNW-DEOSSOPVSA-N 460.494 0.914 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836651396 WBUHIMDSCXWETK-VOVIXQRCSA-N 456.543 0.918 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1837443368 HRQJXVZIAJFOEY-RWOVVYLESA-N 454.531 0.876 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)ccc21 1837443691 ODAYRPAEHSSJFH-IAWFGPOKSA-N 498.584 0.419 30 20 JCED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1C 1837531624 RICRGQBRJSLIJN-KHLOOKIASA-N 463.535 0.582 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1837531728 VAHDOPQAEPEKAZ-WFIYKGMKSA-N 471.461 0.877 30 20 JCED C=C(C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1)C(F)(F)F 1837835452 LIYDXNODXUEQPD-UHFFFAOYSA-N 457.386 0.828 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)nn1 1838353704 XPIKMQCCTHHING-HSZRJFAPSA-N 467.482 0.506 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048788 RRKHFSHYUBPHEI-SKZKPWFZSA-N 469.546 0.200 30 20 JCED CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131819 APLUYISXWAKCOV-VXWZWFMZSA-N 458.559 0.939 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCOC4)C3)C2)c(C#N)c1 1839133568 WYBNAPDHSQQUHH-DVECYGJZSA-N 457.527 0.992 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1839173433 PIXUYHKAMURZSF-QZTJIDSGSA-N 452.426 0.266 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1839185723 JOOBTZNABAMWMB-GAJHUEQPSA-N 498.577 0.658 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839373198 XMBDZBVJSVKSLT-SPLOXXLWSA-N 451.476 0.674 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486023 IKHNHJIKANEIFE-HYBUGGRVSA-N 466.542 0.989 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5n[nH]cc5[N+](=O)[O-])C4)C3)c2c1 1839488222 FEDGZPBQOOXSOE-NRFANRHFSA-N 480.441 0.450 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C2)C1 1840041521 RNZHTBAYOWNOSD-KQLQCSSLSA-N 467.522 0.909 30 20 JCED CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043166 HIECVDQDQGEQHW-JOCHJYFZSA-N 477.470 0.785 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840075951 LKGIAEYMDRMZOT-UGKGYDQZSA-N 458.552 0.104 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1840159709 LCARCIPDQPJRFR-MDOVXXIYSA-N 460.597 0.003 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1)c1ccc(O)cc1 1840221295 KJLFTWKUAPSHQI-DMJCMNNJSA-N 471.554 0.857 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840498924 GWCRIJRFICMKCG-XMMPIXPASA-N 466.494 0.737 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818697 RDAHURPVGXMNLK-DEOSSOPVSA-N 472.542 0.700 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1840913704 LQQDDBLBWSNXHY-LGFFLQIISA-N 453.536 0.293 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1841475976 RPQXRIZTZSZBGU-KRWDZBQOSA-N 458.515 0.508 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1=O 10851500 QSGBRRSLZRUFAR-HUUCEWRRSA-N 475.527 0.338 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1=O 29494894 LGWRLFNTYADTBL-UHFFFAOYSA-N 464.526 0.722 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)C[C@H](C)O1 498179157 VDMDQKGLACMSQO-ROUUACIJSA-N 498.627 0.876 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)CC2)c1 518074844 XXAQLWDGDXBZIK-NRFANRHFSA-N 490.520 0.255 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(Cl)c2)c1=O 523466793 PNUBWQMKTGKHHG-UHFFFAOYSA-N 491.013 0.551 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCc1ccccn1 523862132 QANHMPWSFZVCDT-UHFFFAOYSA-N 492.557 0.584 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O 589157274 UXZXOOCPDSTBPE-GFCCVEGCSA-N 454.487 0.233 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1[C@@]1(C)NC(=O)NC1=O 604023514 YFJNUGDRMDYJKM-OAQYLSRUSA-N 470.511 0.527 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)cc1 726304584 DCJDXQVWPJLUOT-NCELDCMTSA-N 471.543 0.577 30 20 JCED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C3/CCCN3C)cc1)CC2 727232029 VKZUYZFJMPVGHO-UCXBAENPSA-N 459.532 0.469 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)nnc12 913166044 GTRFKSODRNYSPB-LSDHHAIUSA-N 498.565 0.978 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(NC(C)=O)cc3)c(=O)n2CCOC)CC1 916199997 RMNIHBUIKWTVMI-UHFFFAOYSA-N 483.594 0.182 30 20 JCED Cc1c(NC(=O)[C@H](C#N)C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C 916960964 KFIBAGLHPJLZGY-JGKKSEDXSA-N 473.489 0.939 30 20 JCED C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1288933006 LGRYOKCUYBDDLX-NQYLQCIDSA-N 465.507 0.836 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2COCCO2)C1 1288977756 QXZPOZKCEUDCEC-TXPKVOOTSA-N 454.553 0.156 30 20 JCED CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CCC1 1296268606 URHIZSSNBIIILE-IBGZPJMESA-N 481.557 0.986 30 20 JCED CC1CCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1544521647 TVWRYUMTIAGZGI-XLIONFOSSA-N 469.587 0.785 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1617573957 NFRQSEVUARPURN-XGHQBKJUSA-N 481.598 0.565 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1765635824 RXYMVGPLWGUQBI-UHFFFAOYSA-N 485.614 0.900 30 20 JCED CCN(CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1766684068 INJBKYTWJVPETI-DLBZAZTESA-N 455.585 0.072 30 20 JCED COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1768340054 NRSFHZKGRURCEY-AUUYWEPGSA-N 467.935 0.885 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](O)N3CCOCC3)C2)c1Cl 1779416043 KDVZTNHENNXGBB-SXSPYAJSSA-N 476.961 0.990 30 20 JCED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1)C(=O)O 1779422198 VRWFGMAZHVIFIA-AFYYMGMLSA-N 454.524 0.092 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1779429006 SKWRWMBOVWFMOI-ONPBXAEWSA-N 471.576 0.607 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781902697 DKMYMUWYAQXKKZ-WIYYLYMNSA-N 493.358 0.915 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1)C(F)(F)F 1783992155 AGBMNEOODNJIDM-XQLPTFJDSA-N 465.469 0.970 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1785383495 RAZHZOLEAQNAJE-QHCPKHFHSA-N 451.483 0.895 30 20 JCED O=C(O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)ncn1 1785643536 MKRLZKIMJIYABZ-XDQKLLRCSA-N 461.475 0.297 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cncn3)[C@H]2C1 1787089762 QBXLTLZJXLHYKU-XSLAGTTESA-N 460.535 0.174 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788497693 HUIZRXRXIJXYNG-DCANNJSBSA-N 488.585 0.718 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C[C@@H]21 1788572698 FPJILNNVPLWLPR-QXCZDIPSSA-N 482.622 0.781 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)[nH]3)[C@H]2C1 1788959940 MMKMHLJDUTWRPP-MPTYRVRUSA-N 461.519 0.625 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3C2)ccc1Br 1789763868 LXCSGLDRFFDNPO-KWFCSAJOSA-N 477.359 0.637 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1789956704 XUJKXCOTPONKEJ-WNHJNPCNSA-N 472.608 0.439 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380005 KLTYWSMXGZXBDB-VJANTYMQSA-N 490.605 0.372 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1793088223 ZNUWRTWBYMZONN-KWWJQKEASA-N 463.531 0.193 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C 1796390525 MZACLNFYOMBLAL-UYTYNIKBSA-N 455.552 0.707 30 20 JCED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCN(C(C)=O)CC2)C3)c1 1799284094 CUZFKFHJUDVABK-WKCHPHFGSA-N 453.543 0.983 30 20 JCED COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1800847773 JBZSOEHVFVVWQZ-BRTYFSMRSA-N 489.569 0.387 30 20 JCED COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1800849260 QRMACVSZCUGRRH-ACHVPNTGSA-N 489.569 0.652 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801302490 JQGGVAKBCGLOOR-JYYAWHABSA-N 478.575 0.403 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)cc1C#N 1801846587 DVFMNORKAKIOJP-NHKMSHSESA-N 480.521 0.864 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1802127523 RFVCFUBULCZSOH-RCJHGTSTSA-N 474.514 0.613 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2CCSCC2)[C@H]1c1cccnc1 1802479774 YZSUSNREBPDROM-KLCWCRIBSA-N 457.600 0.995 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1803555330 VYCRWBDBNDHTMF-FXAWDEMLSA-N 454.464 0.795 30 20 JCED CC(C)n1nc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1C(=O)O 1805065043 VDACRKWDCCWYNH-QRWLVFNGSA-N 453.455 0.965 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1807147388 IYGMGTZSACJWJF-ZCNNSNEGSA-N 458.563 0.020 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810351282 IGUMIKAKZJQYFF-KKLQWCBXSA-N 460.531 0.247 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1814954346 NPNDOVYQZUKYNV-ZFWWWQNUSA-N 463.491 0.766 30 20 JCED O=C(C#Cc1ccccc1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1816954868 CXOCCPVHUWAGFD-QGZVFWFLSA-N 457.454 0.893 30 20 JCED COCCOCCOCCOCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1820964493 NMJCKQWIVDLLLA-SFHVURJKSA-N 480.518 0.576 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCN2C(=O)OCc1ccccc1 1828589499 KRGQLSYRIIGCFI-MBSDFSHPSA-N 469.498 0.851 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)Nc4ccccc4)CC3)C2)C1 1829762301 CQDPDJSQJOBQLO-RRFNBQSRSA-N 496.564 0.720 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1829771274 OYNZDGPPMXQQSU-FUMRIQNTSA-N 471.489 0.402 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829905503 BNDUNORUUFFDCN-SIBVEZHUSA-N 491.548 0.771 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)c1 1830050877 WXFLUDUACNBIAC-UZUQRXQVSA-N 457.531 0.655 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830178264 DUUFOGVXXVFZQV-VGSWGCGISA-N 464.540 0.198 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1830461424 IPDXJNYRCMTOIQ-JOCHJYFZSA-N 468.470 0.892 30 20 JCED Cn1ncc(I)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213828 ZIKPNOQZXWLQNE-LJQANCHMSA-N 498.321 0.508 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)cc3)C2)C1 1831398811 LPMVALBXBCFZHO-YADARESESA-N 452.511 0.981 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1831435060 JYQAUOSBJLFYRD-QFWMQHCXSA-N 497.589 0.718 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)c1 1831461335 SLZLQPKCYXVBHJ-KSFYIVLOSA-N 479.555 0.318 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1831998556 OHTCMXFCJVVYMD-ZHRRBRCNSA-N 499.634 0.929 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833596570 ICHDWISUOAJBFB-HRAATJIYSA-N 467.544 0.146 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c(O)n1 1833699766 LNBMVLMNFZAOHZ-BJKOFHAPSA-N 491.541 0.592 30 20 JCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833833426 MYBVUYIOERRATM-KGLIPLIRSA-N 463.604 0.883 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1835110167 MYPQCBKYDSDCSU-IIDMSEBBSA-N 463.604 0.399 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835298444 FWEUJMMCEBIUHH-RCZVLFRGSA-N 456.539 0.875 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835667358 DLIMAZALIDONHA-GBXCKJPGSA-N 474.558 0.467 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1OC 1835680547 KQDQUTQVMPSOPN-HSZRJFAPSA-N 475.546 0.451 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1835750104 FEVLODZAGUFMIS-UHFFFAOYSA-N 460.619 0.589 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835974095 ZJLSABQMPVVNFY-JGHSGIRGSA-N 452.943 0.465 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4ON=C(c5ccccc5)O4)CCO3)C2)CCC1 1837299654 FFWTWJIUJQONED-REWPJTCUSA-N 454.483 0.871 30 20 JCED O=C(NCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccc[nH]1 1837489081 ZETGPDQSOGXTKU-VWLOTQADSA-N 486.569 0.290 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1837493563 KQLLWMUQINSAFE-HSZRJFAPSA-N 458.515 0.010 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1C 1837525241 LBWQHNZPOFNUAK-ZFCBIQLQSA-N 463.535 0.256 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837758863 CEUKGPYPOUZQJC-JJDHCWFKSA-N 471.514 0.707 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3OC)C2)C1 1839174074 DGEGVDOEMSQLOI-DEOSSOPVSA-N 475.542 0.989 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCOCCOCCOC)CCO2)C1 1839220471 OUVKLZSEJDBSFD-QPPBQGQZSA-N 486.606 0.741 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1839223289 RMDMAEZEDXTRRJ-KKSFZXQISA-N 466.560 0.735 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1839223966 CVCYGUMEILRBBF-HJPURHCSSA-N 473.530 0.837 30 20 JCED CN1N=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)CCC1=O 1839361373 GJOIQYPAOUYYMT-QHCPKHFHSA-N 453.499 0.431 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839390690 FGZCINJXXNRSPQ-JDDNKDTNSA-N 456.499 0.907 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452630 ODYCHQDTCKMPBA-NZQKXSOJSA-N 458.515 0.088 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839579214 ZAZCVHHQXBNFCM-HXPMCKFVSA-N 452.558 0.514 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)CC1 1839759430 RHITWFBCVGVVLG-HSZRJFAPSA-N 455.511 0.900 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)ccc12 1840159487 FSEQAZBONJSTQI-QRQCRPRQSA-N 476.555 0.899 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840164174 BAYYVLQEJWRIMO-VFCRVFHLSA-N 489.591 0.218 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840169098 JZVXPOXEJRHDRR-DNQXCXABSA-N 479.574 0.930 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1840176675 PXVGKIONZGSYMR-STWLZBDKSA-N 487.553 0.791 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1)c1ccc(O)cc1 1840219068 AFHRICOJLLNJKH-GBXCKJPGSA-N 492.594 0.780 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840294700 OAVNDERRSXFXAY-DVECYGJZSA-N 481.590 0.912 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843350509 ZAHVWTWKGZJGII-OALUTQOASA-N 470.574 0.483 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2)C(C)C 1845248114 YTGVQYOLMUKVDX-ICSRJNTNSA-N 458.559 0.975 30 20 JCED N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1F 481082641 NCWTXUVOCBKSRQ-UHFFFAOYSA-N 460.491 0.299 30 20 JCED CN(CC#N)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 504556443 VFXSJKPHJSYRFS-UHFFFAOYSA-N 451.505 0.814 30 20 JCED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 514913467 OWXXZQYLUXXTMI-UHFFFAOYSA-N 474.564 0.933 30 20 JCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 518907413 DXEVYKDJKVMOHC-UHFFFAOYSA-N 480.449 0.801 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1-c1ccc(C(N)=O)cc1 523255536 WZCMTSORDQGQDF-UHFFFAOYSA-N 482.949 0.917 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CCNS(C)(=O)=O)c2=O)cc1 524281202 LQNGJVFBBZTSKE-UHFFFAOYSA-N 482.587 0.909 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccccc1 603790537 JVQFPWXAAPBPGI-UHFFFAOYSA-N 475.574 0.305 30 20 JCED COc1ccccc1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2)c1=O 603793395 YTHYBMAZOJEZAC-UHFFFAOYSA-N 490.585 0.859 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 603846495 DJDZHHWXRKRMCE-WSTZPKSXSA-N 452.577 0.464 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc3c2OCCCO3)c1=O 603987445 LGAXLUNPSFNRAE-UHFFFAOYSA-N 498.605 0.433 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(OC)nc1 608883886 LZUUISHJDPTYBI-AWEZNQCLSA-N 495.517 0.865 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1CC(=O)N(C)C 609333609 UFCCZGQRPZWFMK-UHFFFAOYSA-N 472.567 0.052 30 20 JCED CC(=O)N1CCN(C(=O)CCNC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 730897412 JEHDHOGEUNANHV-CLCOLTQESA-N 478.575 0.702 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COc2ccccc2O1 913300610 PNRWELJPMRKTIR-GOEBONIOSA-N 459.480 0.724 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2CCOC)CC1 916199968 PSEWRFGZLXFMKR-UHFFFAOYSA-N 471.539 0.132 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)c1 918279128 NTENPZXQPAAREU-VKWHMPGMSA-N 484.600 0.769 30 20 JCED C#Cc1cccc(NC(=O)CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 918342404 JBTAYFXXTRYNEZ-IBGZPJMESA-N 477.564 0.504 30 20 JCED COCc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)ccc1F 1504635896 UKHRGPSRDSBGOM-XJKSGUPXSA-N 452.512 0.951 30 20 JCED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 1554356605 PUPYSRJUZZKOTC-WMZHIEFXSA-N 487.630 0.991 30 20 JCED CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1554396043 SGCKAGPDNYVSCA-RDJZCZTQSA-N 460.560 0.982 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1617626310 XBQMBIANCXJLTC-HXUWFJFHSA-N 469.546 0.354 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ncn(C)n2)c1 1649670304 YZTIHBBVFDAXIZ-LJQANCHMSA-N 459.511 0.814 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1705689072 XIXQBPBNOINHDA-AWEZNQCLSA-N 472.369 0.946 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)C1 1750848466 POWNGSMOFGYJKQ-QYZOEREBSA-N 483.639 0.564 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS(=O)(=O)C1 1751096359 QCNQWNHIZXVNSJ-OAGGEKHMSA-N 474.609 0.174 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)c(C)n2n1 1777783243 YOENKEMAAUKPEE-RGEBAEOJSA-N 471.518 0.714 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1778946463 XRNXOISWCRDOOH-VKUXZERMSA-N 458.906 0.685 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1779104732 GCOPTVSMWPZZDC-VMMAJHOLSA-N 456.503 0.631 30 20 JCED O=C1NCCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)C/N=C/c5ccco5)C4)C3)cc21 1779135721 FOCGOJSHSPSBHX-HPARJBSBSA-N 454.487 0.172 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780244834 SFKVZMQULCMPSK-OYHNWAKOSA-N 461.519 0.683 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780338802 BGVLPEUMCBNZKO-UZUQRXQVSA-N 489.529 0.786 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CCO2 1781269340 LSBSRUHUTZITEW-XMMPIXPASA-N 494.508 0.524 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)NC(=O)c2cnccn2)CCO3)c1 1782057550 SIBGSNTVJZTYLF-BXKMTCNYSA-N 462.510 0.919 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)CC(N)=O)CCO2)C1 1783765270 KPISHVAYTGIFGB-XCGNWRKASA-N 452.552 0.797 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1783885294 YENYEXZFIAYYJN-DGGJZMOXSA-N 498.577 0.657 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1784483208 OQXPAYKOIZDUSE-FECROARQSA-N 493.601 0.765 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1785304982 QJLRJUWGEINETO-GLDPYIMESA-N 496.605 0.827 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO2)C1 1785596567 LUZOZAXDBHQAOF-OIDISNMWSA-N 497.614 0.863 30 20 JCED COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)cn1 1787605351 VPTGTJVGQLDZGX-SDEHEAPBSA-N 457.531 0.933 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc(Br)ccc3O)[C@H]2C1 1789850655 HYSDRIQHBMSXCF-NUTKFTJISA-N 465.300 0.765 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1790695596 CBMPMDAEMORHCX-YDRUYBAWSA-N 498.671 0.101 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1792489124 HTHHFINLCMHVBC-JLRLZTEKSA-N 454.483 0.079 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1793598923 HIWOXDDNGKDFKV-ADHGMGHFSA-N 485.603 0.623 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(CC#N)cc2)C3)CC1 1797306322 LWYCAHWFIXYWET-IUTQVRIDSA-N 453.543 0.120 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1797713527 RNUPELLKTSPZCE-MNDZRTMASA-N 456.543 0.503 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC=O 1799288183 SJJXVXCXUKTMMT-UJWQCDCRSA-N 464.563 0.407 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COC(=O)C(F)(F)F)C3)ccc1F 1799327514 GZGYXQXUHHTTSS-ZSBFGKGUSA-N 457.380 0.935 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1799395673 VULQNCJLROWGDX-SCNOPHJPSA-N 463.560 0.282 30 20 JCED CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(Br)c(C#N)c2)CC1 1799710275 LKNMBDRBGFCHQS-RMFSNUHRSA-N 490.402 0.771 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1)NC(=O)OC(C)(C)C 1800527326 DVLWSWSHFXVVSS-GHHWKCCRSA-N 464.563 0.572 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O 1800528521 UEODSPBRYOCTBJ-JFMONLCZSA-N 452.552 0.570 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1800710240 ZBHPRTMCFKYUOI-BMFAXAFESA-N 490.557 0.380 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cncn1 1801363219 JEKCZSJJXJKTAJ-ADPPENSOSA-N 474.562 0.898 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)C=CC2=O)C3)cc1C#N 1801850258 FMERWRXMGNCDBA-FEJSZKPUSA-N 466.494 0.474 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1803563208 IZORTUUUMQMLGQ-SLYNCCJLSA-N 464.588 0.409 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1803920691 CDNFWIWAPNFGGC-WJMWBRGCSA-N 489.594 0.998 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807950568 UVZDVOFDXZWUKC-HNAYVOBHSA-N 480.485 0.037 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]2c2cccnc2)ccc1F 1808563498 XXZLEISCRFBHFC-KPDCDPCYSA-N 466.517 0.934 30 20 JCED Nc1n[nH]c(CCC(=O)N2CC[C@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2c2cccnc2)n1 1810357265 JQVHHFJHYGUIQK-JXTVMPLKSA-N 470.534 0.950 30 20 JCED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CS(=O)(=O)N2CCCC2)CC3)c1 1821603975 LPEFFBWZZFBKOA-ZDUSSCGKSA-N 462.557 0.994 30 20 JCED O=C(CN(CCO)CCO)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1822026522 LGNSZYPUUZDVGZ-AAOPIFSGSA-N 466.539 0.217 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1823385642 OYYXFDUCUBHYCH-INIZCTEOSA-N 465.470 0.904 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CNC(=N)N)C3)C2)CC1 1828921329 RQBZONPFYNHZGO-QHCPKHFHSA-N 467.530 0.225 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1829263280 RITCLVWJTKKTMH-DEOSSOPVSA-N 489.492 0.117 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3CC(O)C3)C2)C1 1829330757 QERSLADSGVMQBB-MORLXBONSA-N 469.494 0.297 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3Cl)C2)C1 1829764188 HAPMFKOAABGTRX-QJKPHDSHSA-N 462.934 0.592 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)cc1 1829944692 KYBYAOBHGNHFDZ-GBXCKJPGSA-N 454.527 0.473 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C1 1830635404 YTCYDYXPMNDQKG-UTKZUKDTSA-N 457.593 0.539 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1831493869 XPKVQKGHGYTIQC-VGSWGCGISA-N 491.570 0.703 30 20 JCED COc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)ccn1 1832596352 YMXGNOLQXQPNMJ-HSZRJFAPSA-N 453.499 0.993 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)cc1 1832793378 KSOJZTFULSVVNA-QHCPKHFHSA-N 482.497 0.752 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](N)c3ccccn3)CC2)CC1 1833076134 ZJDAUDTVCHFXAO-KSEXMQBYSA-N 454.575 0.511 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)nn1C)CCO2 1833447175 CJXMOXSDKSOXOI-NRFANRHFSA-N 450.492 0.008 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cn(C)nc2OC)CCO3)c(C#N)c1 1833865428 UMNLVGVOANHHTL-DEOSSOPVSA-N 483.525 0.622 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834403658 NFBRXXIGVKZRCC-KRWDZBQOSA-N 464.567 0.240 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccccc3=O)CC2)CC1 1834715260 MEJZCVNTJWVPRH-UHFFFAOYSA-N 456.591 0.702 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835359097 XGXARRLULKVVCI-LFALDJFMSA-N 492.573 0.771 30 20 JCED COc1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835667565 IPEUNCINIAZKAB-DEOSSOPVSA-N 474.558 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1cccc(Cl)c1)CCO2 1835723512 FQRUJMDHKRNBJV-DYFHXQJZSA-N 476.961 0.655 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1835732264 KMTDEOTVLWGGOT-YZSQISJMSA-N 484.605 0.283 30 20 JCED CS(=O)(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835754286 WQRMDMVMPSNCHB-UHFFFAOYSA-N 467.632 0.691 30 20 JCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1836862139 MTFZHQDRHQVLCG-GOSISDBHSA-N 450.536 0.566 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1837493591 MCKBRRAMSBMXCO-DEOSSOPVSA-N 456.543 0.564 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)Nc4cccnc4)CCO3)C2)c1 1837630256 MFOWMRKNYIDLSR-XMMPIXPASA-N 479.493 0.671 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1837692890 ACTFIALSWZLWER-NXMSCROESA-N 494.589 0.603 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837743754 SIKUHHXZPAMWSQ-MHPMKTAKSA-N 475.546 0.867 30 20 JCED CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1C 1838150056 QEHRSJJBBVMBFT-MBIGCVILSA-N 463.535 0.810 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838426296 TYXHNQJEFIPJKH-YQNSVDCASA-N 455.519 0.271 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)ccc1O 1838973078 LUWFIHBNHCUONT-HSZRJFAPSA-N 460.531 0.753 30 20 JCED CC(C)(C)OC(=O)C(C)(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839032828 UWYWDIAOYZDPPS-QFIPXVFZSA-N 452.504 0.289 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839124332 YJZVXCCFIWDRHL-NTUVXCKYSA-N 478.590 0.502 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4)C3)C2)c(C#N)c1 1839131101 LUKLZUBAANWTLB-DEOSSOPVSA-N 456.543 0.662 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1839175310 BDYFFDKJXSTSSS-HSZRJFAPSA-N 483.562 0.865 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1839186098 ZMBNOBXUVNYXAJ-PNLZDCPESA-N 455.552 0.683 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H]5CCCS5(=O)=O)C4)C3)c2c1 1839489200 RPZKPQAUKIKYCN-AVRDEDQJSA-N 487.538 0.082 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840158653 OYKVTHJAWLGKKI-JXSLOMFPSA-N 475.608 0.689 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1840176762 UWJKUKDAUJPJJN-VGSWGCGISA-N 469.535 0.475 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3nccnc3CN1C(=O)OC(C)(C)C)CCO2 1840366700 RLRWTAYBFPDIMH-NTKDMRAZSA-N 485.541 0.228 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1cncn1 1840420591 ONOOVMZFQMEAGN-IVZQSRNASA-N 464.486 0.357 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)n1cnnn1 1840478803 BODJFAFCLQJXKO-VLIAUNLRSA-N 459.894 0.529 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1840819451 LTVHURLHVOMBEG-DEOSSOPVSA-N 476.493 0.979 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO3)C1 1840882374 HMHLDAMOODXWNB-UUOWRZLLSA-N 495.573 0.865 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1)C(C)(C)S 1841892770 RMZXTKPERFUDJE-OAHLLOKOSA-N 483.591 0.343 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1845209694 DCSCMNUCWZXHES-GOSISDBHSA-N 483.525 0.613 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846460943 WSXVHRYZQYRTBO-KRWDZBQOSA-N 472.542 0.812 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2cc(Br)ccc2c1=O 1847849645 JXOSGWWJCRBMPF-HOTGVXAUSA-N 473.283 0.449 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 11674832 BGGALLOURQFYIA-HSZRJFAPSA-N 490.582 0.960 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCNC3=NS(=O)(=O)c4ccccc43)CC2)cc1 16776001 DHSGBHAJWRUQQR-UHFFFAOYSA-N 487.563 0.520 30 20 JCED Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c(=O)n2C 24149287 ZKLWWMRYGFEEPT-UHFFFAOYSA-N 477.399 0.164 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C3CC3)CC2)cc1 26879956 XLXYAXYLISTWKN-UHFFFAOYSA-N 480.506 0.438 30 20 JCED Cc1cccc(C)c1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccncc2)c1=O 514648426 BDDAGDAEDCYKBY-UHFFFAOYSA-N 489.601 0.862 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)cc1OC 517993188 MIVCFINIWBBYEQ-UHFFFAOYSA-N 498.605 0.556 30 20 JCED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1C 524281883 FCGIDHORVLODAX-UHFFFAOYSA-N 490.651 0.660 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 603484085 WKJCKBKXWBTKMR-UHFFFAOYSA-N 464.525 0.496 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nc1 729012646 RRXHIJYCENWZAQ-UHFFFAOYSA-N 473.507 0.770 30 20 JCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 742734239 YCFGSFJROSJFKF-IRXDYDNUSA-N 479.555 0.946 30 20 JCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 755868742 ZPVJQAYKVQVLFE-YVLHZVERSA-N 468.543 0.976 30 20 JCED C#CCNC(=O)[C@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 857752089 ADCYTDBRJPWPLT-WFASDCNBSA-N 473.345 0.663 30 20 JCED C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N1CCS(=O)(=O)CC1 1136613148 JYHYMERQKQOREA-JSGCOSHPSA-N 452.920 0.326 30 20 JCED Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)cc1C 1289743590 QUKQAAILUYLJOL-GOSISDBHSA-N 473.559 0.912 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1 1503462377 QJDGCLBAWWCKNE-LJQANCHMSA-N 490.586 0.661 30 20 JCED CCCNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1515075377 QCWPBSBVQUHTAP-GOSISDBHSA-N 486.602 0.690 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1554126985 SUAFSBVKIRSGGP-QFIPXVFZSA-N 472.571 0.892 30 20 JCED COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1555560744 UTKLLQPNVGCHKJ-UHFFFAOYSA-N 463.560 0.856 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1611308525 RAKFSPVONZYMFZ-NVXWUHKLSA-N 462.580 0.859 30 20 JCED CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1OC 1616368663 YXMWAKHRPFRCPF-HNNXBMFYSA-N 450.521 0.630 30 20 JCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(c3ncccc3C(N)=O)CC2)CC1 1642072069 QUTBTBNSWHOIBZ-GOSISDBHSA-N 453.572 0.773 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1696623349 WGZKNSOTGBMILZ-UHFFFAOYSA-N 466.589 0.980 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCC[C@@H](O)C2)C1 1698313036 RNJXEZPQHQNWLI-JEWRLFTDSA-N 456.544 0.604 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)N1CCCCC1 1706888235 ZSYBWQKHRRNSKI-SJLPKXTDSA-N 478.623 0.467 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1711020798 WCOYBIXRNQJOGX-UHFFFAOYSA-N 485.549 0.964 30 20 JCED COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c(F)c1 1711855293 VXFWZJHMAJXCSX-FUHWJXTLSA-N 480.522 0.536 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1749807233 YCYBIPHWPFTYRN-SFHVURJKSA-N 460.560 0.793 30 20 JCED CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCOC1 1769782579 VCPGSXVRZHPGPK-NZQKXSOJSA-N 470.530 0.876 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C1 1778077311 JEQPODSOLDIFTA-SZLNKSKCSA-N 450.561 0.341 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CCO3)CC1 1778357777 UIPMMNRTYBLDAL-SANMLTNESA-N 497.596 0.953 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1778785811 RLBRZKLUBQZKOG-NQIIRXRSSA-N 453.612 0.932 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1778788977 ODUVETSWDNQVGJ-OXQOHEQNSA-N 495.330 0.829 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1778920932 IDTFRDZNZXOJAX-WJONJSRFSA-N 484.550 0.003 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)CCO2)C1 1778980157 RDSVVLGWMVVUEG-SXTKOZQMSA-N 481.590 0.617 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1779020533 RFLDWBNQTOQTEY-SGCYSOCQSA-N 453.503 0.005 30 20 JCED O=C1CN(c2cccc(C(=O)N3CCO[C@@]4(CCN(C(=O)C/N=C/c5ccco5)C4)C3)n2)CCCN1 1779135085 SRSJRDCKMAVUFK-JRCVBZDQSA-N 494.552 0.564 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780332283 RQUVIEILMYJFRN-NRFANRHFSA-N 457.512 0.583 30 20 JCED O=C(CN(CCO)CCO)N1CCO[C@]2(CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C2)C1 1781742539 VYDLDNDUONAFAF-MUUNZHRXSA-N 491.588 0.817 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]cc1I)C2 1782013322 FPBJRVQITFIDSM-SJKOYZFVSA-N 486.266 0.230 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1783268717 FSDINSFZJNOVNF-YYVLHXKZSA-N 478.590 0.140 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783834544 KLUPVGYKTHMKGX-WZONZLPQSA-N 497.614 0.558 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)c4ccccc4C3=O)[C@H]2C1 1785061705 UHVYZOXIOGQGPQ-YYWHXJBOSA-N 495.580 0.934 30 20 JCED Cc1cn(CC(=O)N2CC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)c(=O)nc1O 1785350967 BJPOUXZEWRETQX-HSZRJFAPSA-N 470.913 0.792 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1785576770 MZKHSZSDASXFHT-QVKFZJNVSA-N 469.560 0.551 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1785596038 CACUGKKQRCSXIH-NPFVIJTESA-N 450.536 0.422 30 20 JCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C[C@@H]21 1786364896 ZUCUFENOQJSPRE-WDSOQIARSA-N 453.474 0.938 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787494918 OYWCSGGIAKJJBT-NMHRLERGSA-N 452.577 0.342 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCN5CCOC5=O)[C@H]4C3)c2c1 1788137530 XUJHJOYXCGNFLV-IEZWGBDMSA-N 466.498 0.870 30 20 JCED C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1789881431 PMMOFWILUGNAGQ-VJANTYMQSA-N 491.589 0.641 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1789891118 DTIPJTQAYJUQAP-WBAXXEDZSA-N 469.494 0.924 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCCNC5=O)C[C@@H]32)ccc1F 1789906939 ZUMOYIQYWDJVGP-ZJBJCVSYSA-N 494.527 0.863 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789927734 APUSLOUVNGOMJY-VMXHOPILSA-N 483.606 0.815 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]21C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791071215 YXFMVNOYXUJLJF-QLRNRTMNSA-N 461.515 0.454 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)c1 1791396559 MYXWOSGZMORJOU-KNTRFNDTSA-N 450.495 0.832 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 1792261741 NJNRRVVSKKCZKE-VJANTYMQSA-N 459.547 0.779 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCNC4=O)C3)cc1 1792424980 AFVDILAQBCEDEB-OPMZPASUSA-N 462.510 0.334 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1792451483 ULSJCJCLOUJIOM-DURIQHOJSA-N 463.575 0.997 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CC(N)=O)N(C(=O)OC(C)(C)C)C1 1793432801 DASMHBBDSTZRJZ-QLCXLMDBSA-N 464.563 0.653 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COc3ccccc3O1)C2 1797809004 WWCICLAATVBWRF-SLWHMQQBSA-N 459.499 0.945 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1cc(=O)nc2cccnn12 1798497792 LJQXQIOUPQZJGV-DPSJITPRSA-N 450.455 0.005 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799198699 ZBBJNYBNRYCWRP-RPVYPSMYSA-N 482.578 0.605 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2 1799232457 LCJAFKZWVBXOHC-FLNBYBTLSA-N 478.590 0.797 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1799394144 XYSSYMGDFBTSBW-QSNWEANLSA-N 484.557 0.884 30 20 JCED CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773100 FFBYLGGLFAPLLA-RCJHGTSTSA-N 451.520 0.748 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C 1800825380 MPEMLHGRXKIPRM-BDEKUHOQSA-N 479.574 0.375 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801981320 SPVJGZSYTJRHEK-MHORFTMASA-N 462.547 0.906 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)NC(=O)OCC)C2 1804375989 CJTHVVHMZYOFFT-ORDFZIBCSA-N 466.535 0.606 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1804389044 DKPOKXAGMVLAKD-XKGZKEIXSA-N 493.568 0.747 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810360376 NTRUIZXFNAYQHE-HBRDUZLMSA-N 483.525 0.932 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)[C@@H]1c1cccnc1 1812425403 PHLFIWGDLRLWGY-QKYMMTCKSA-N 476.533 0.811 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)[C@@H]2c2cccnc2)c(=O)nc1O 1814039714 GLXKUNBQPIJNTR-YCIHSBSQSA-N 498.540 0.887 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820021011 AIPZAGCJCDJMGM-AWEZNQCLSA-N 453.507 0.886 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)N3CCN(C)CC3)sc2C1 1822683249 KUSVPKNSFOHQKK-FLELRFNZSA-N 460.604 0.549 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCN(C(C)=O)CC2)CC1 1823746464 DUAZPPLYNSDGLD-RHVSLNNASA-N 473.618 0.629 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCN2C(=O)OCc1ccccc1 1829138019 OTCFICPSAOLTPM-YKSBVNFPSA-N 470.526 0.223 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1829260013 CHIPAUAVJUZQFT-KOSHJBKYSA-N 454.527 0.986 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 1829263014 CVJANHKVOJVNIN-RUZDIDTESA-N 462.506 0.934 30 20 JCED COC(OC)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330815 RRHBFKUYRDGQRB-HSZRJFAPSA-N 473.482 0.145 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)[C@@H](O)C1 1829691849 NXPCBOVYJYWACM-ZYLNGJIFSA-N 491.585 0.474 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(F)cc(F)c3)C2)C1 1829765140 IGVLQEYWOJRCJG-GYLQWBMOSA-N 463.481 0.822 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456045 CPORJQVTQQBIMR-UUOWRZLLSA-N 456.543 0.862 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830886737 ZRTRIVYTBGOCMD-IXFSTUDKSA-N 469.579 0.931 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2)C1 1831325142 WYGFGZYLUVMWKP-UTKZUKDTSA-N 459.609 0.763 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1831472490 LZFHJFPAHRZWKC-OAQYLSRUSA-N 497.474 0.957 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831472860 WNWDYEVSWZMDQK-XYXUZSOXSA-N 463.556 0.858 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832791332 HVGRWFOIBFTMET-HRAATJIYSA-N 451.524 0.993 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)c1 1832877968 QCBYGULBHSWDOX-DEOSSOPVSA-N 483.500 0.916 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833568702 ODTBKSBZOISVHN-NRFANRHFSA-N 464.498 0.134 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)c(O)n1 1833698951 QCHRIVSWZDFOPN-NVQXNPDNSA-N 495.580 0.941 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(O)nn5)CCO4)C3)c2c1 1833836579 OHZFZBZHCACFLC-JOCHJYFZSA-N 463.454 0.314 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)C(C)(C)O 1834767363 HEINKMGVBCTYJQ-IIBYNOLFSA-N 454.524 0.021 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835362670 REGSZEGHBSRWHO-JOTIYABQSA-N 492.573 0.505 30 20 JCED N[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1cccnc1 1835833267 GKAPAUVQZNNZEW-PXDATVDWSA-N 470.570 0.627 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)CN4CCN(C)CC4)CC3)CC2)c1 1836124436 IHDXGDUZJBFRTH-UHFFFAOYSA-N 482.629 0.999 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1836858875 BFBSQYWHLFUSIG-ZWKOTPCHSA-N 471.558 0.632 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)CC1 1837087620 XVNPTNFFZHDAAX-UHFFFAOYSA-N 481.505 0.759 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837474825 BKCZKBBDPISZML-MHECFPHRSA-N 464.526 0.848 30 20 JCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491782 ZRWTUYFNTZOLLZ-VWLOTQADSA-N 481.553 0.806 30 20 JCED COc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1F 1837526240 CHUYWMJWDQGDLU-MSAWBSESSA-N 480.493 0.828 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1837526710 VEKJAKDEXIRBHK-JEISCHNNSA-N 451.476 0.298 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1838048123 QHCQHCDZOLZPOP-WNWNSBFKSA-N 480.525 0.400 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1838076133 BCXWTVBPGQXUPJ-BUVRLJJBSA-N 460.535 0.972 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838120104 JCUNPPZSIKYAOE-XMMPIXPASA-N 483.525 0.847 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2)c1cccs1 1838334628 FHQIWNRAIGTOIA-LFTXJPJQSA-N 457.508 0.891 30 20 JCED Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)c(=O)nc1O 1838411335 LFUFOXFYZOIFIK-DHRITJCHSA-N 485.541 0.968 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CN(Cc5ccccc5)CCO4)C3)C2)c1 1838736977 DGEZWMOOLPOFKD-ZEQKJWHPSA-N 493.564 0.857 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838762746 MWSSYOUGGJCBED-SFHVURJKSA-N 461.441 0.876 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1839222872 CYVOLYVQGBTKEW-IIBYNOLFSA-N 482.559 0.356 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1839223953 CACNZHBTNUJIDV-ZHRMCQFGSA-N 458.559 0.958 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)c1 1839452269 RWWJJFBIOOIHSN-DEOSSOPVSA-N 466.494 0.960 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC(F)(F)C(=O)O)C4)C3)c2c1 1839488120 YYEFBYHKOZQMSF-FQEVSTJZSA-N 477.424 0.615 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839537297 ANDSKLJROXUAFG-IYZQMXKPSA-N 453.499 0.263 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)NC(=O)OC(C)(C)C 1840112051 XDIKKDDJKJEQBT-ZHRRBRCNSA-N 482.534 0.203 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncn(C)n4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251797 YWDPOZGPZGASSU-GAJHUEQPSA-N 490.561 0.451 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1840715139 RQOBPDJDWKNICX-WAIKUNEKSA-N 451.483 0.781 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1841052978 LTIUYZQSUHZBNG-QWPQOLDESA-N 460.531 0.627 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@H]2C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197120 WJJHMGGXEAGDKN-INIZCTEOSA-N 461.515 0.551 30 20 JCED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 480158790 YPTTUTPAFWCDMQ-OAHLLOKOSA-N 473.551 0.754 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2c(F)cccc2F)c1=O 523745120 OZGZEIBPCBHTKL-UHFFFAOYSA-N 492.548 0.176 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O 524282127 RETWYHGRXGXUNY-UHFFFAOYSA-N 452.458 0.833 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1 553357070 HTBGKKYISMKTOM-UHFFFAOYSA-N 454.552 0.205 30 20 JCED CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C#N)cc1 603934821 BSTJYBROVLTASC-UHFFFAOYSA-N 478.552 0.984 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 730658496 KWSWLMXAZCHWSF-UHFFFAOYSA-N 478.425 0.083 30 20 JCED NC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(Br)c1 746807934 FVQZIOPWUCPDLE-OAHLLOKOSA-N 451.302 0.830 30 20 JCED C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 758242828 QJHZIOBJHMIQID-HSZRJFAPSA-N 481.534 0.858 30 20 JCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1=O 784817316 ZRONEOCNHVYZDO-NRFANRHFSA-N 461.523 0.526 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 917687709 LUUBJGRJIXWFAL-ULJHMMPZSA-N 470.511 0.697 30 20 JCED COc1ccc(C(=O)N=C2NS(=O)(=O)c3ccccc32)cc1S(=O)(=O)N1CCOCC1 1115949509 MXVBDEUEKZKAAQ-UHFFFAOYSA-N 465.509 0.595 30 20 JCED CC(C)NC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1288247971 KFOBDTMRUJZHGM-MRXNPFEDSA-N 456.576 0.971 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314543953 KUOPNKXPSMRUFV-FUHWJXTLSA-N 451.597 0.630 30 20 JCED Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)CC1 1473069775 ZJOACLRIHTZJIT-UHFFFAOYSA-N 452.515 0.127 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCSC2)C1 1555813815 SQFPTGLKYLOGGI-JYJNAYRXSA-N 456.594 0.483 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(S(C)(=O)=O)CCC1 1692538925 OJAAWSZMQNTYLC-UHFFFAOYSA-N 486.602 0.977 30 20 JCED COCc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1697817391 WDQCONLZAPZWLH-RTBURBONSA-N 476.559 0.534 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)no1 1779125974 JYGBCXICMNUWBF-QFIPXVFZSA-N 455.446 0.867 30 20 JCED Nc1n[nH]c(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@H]2CCCCO2)C3)n1 1779245369 YWXFMWDLECVLKD-GRBWWHPGSA-N 463.539 0.362 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780802801 JRIKSRDMRFZDOH-AXVVYFOYSA-N 460.597 0.629 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781355021 XHLMPVBBFMZBAL-DFBJGRDBSA-N 493.601 0.791 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782808687 IRHZDNBLUGDNDG-HROSIZQESA-N 482.581 0.310 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782813004 VHQLAXICIBUMHB-KJOQGJGQSA-N 485.581 0.961 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1783052942 JXWANNWMUBBVEY-AOMKIAJQSA-N 450.536 0.211 30 20 JCED C[C@H]1[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCCN1C(=O)OC(C)(C)C 1783566014 VJFKMJPKUMABLQ-HKARXFIJSA-N 463.531 0.940 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CN(C(=O)OCc3ccccc3)C1)CCO2 1783566331 UFXKZPUCNHVUCA-QHCPKHFHSA-N 455.467 0.173 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(-c4ccc(F)cc4)no3)[C@H]2C1 1785261633 XWRNRYHSDJTGCL-SZMVWBNQSA-N 470.457 0.876 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1785596190 GYJFFDKNOCOPGG-ZGNKEGEESA-N 495.646 0.770 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21)c1cc(O)nc(O)n1 1787439775 RLBUIXKQXQLEFE-MEQXWADUSA-N 458.496 0.982 30 20 JCED Cc1cn2c(=O)c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]43)cnc2s1 1788036201 UTFBRWFPCPCYNQ-SZMVWBNQSA-N 486.598 0.940 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)[C@H]1CCCS1(=O)=O 1790748375 XXQLZNGYOOGFOI-CADBVGFASA-N 452.573 0.242 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CCC4)[C@H]3C2)C1 1792141508 WEIUDWCDHKPQJV-OYSTVDSJSA-N 476.574 0.888 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cccnc3)C[C@@H]21 1792258119 SEVYHKWVQDKVKD-YFNVTMOMSA-N 499.612 0.848 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792279518 ZMHKLSYCSFTGTN-FJIDUMEYSA-N 481.594 0.884 30 20 JCED CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)N1Cc2ccccc2C1=O 1793322743 TXTBZLMWRJRWJM-YVCBRDFCSA-N 453.495 0.345 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1793345855 SWSTWYARAQBZCU-GZXWBTJBSA-N 465.547 0.298 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793435639 DEHBDDYOXSQLMA-GAATZLIZSA-N 464.563 0.557 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794426813 AOQMIXXXTIJNSS-DACLVMHWSA-N 451.545 0.261 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1797744093 LOGYVCDVSQMURH-YINNCEHGSA-N 454.575 0.445 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2)c1ccccc1 1797877692 RMXAJVAKPQFFEF-OUJSJNLKSA-N 480.609 0.937 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cn4c(nc2=O)SCC4)C3)c1 1798578742 ADLYADVHOWTIAC-RMFSNUHRSA-N 495.561 0.675 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799354090 QGJAIYVPAFKMPH-AVEIZBFRSA-N 470.567 0.653 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@H](N)C(N)=O)C3)ccc1Br 1799708063 LPSBTQGWJNCVGS-KPEUIFRASA-N 478.347 0.117 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799746797 NXDNXXARKXOUJI-WOUAJJJCSA-N 461.446 0.395 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(S(C)(=O)=O)ccc1F 1799859479 GJQQWMFSUCUIAA-YVWYUNDQSA-N 482.530 0.942 30 20 JCED CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1800541327 QMBNCWBDZMULPP-OPVJXMOQSA-N 491.589 0.643 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1800991684 OXRLCKXTJJIWJN-FEJSZKPUSA-N 453.543 0.415 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O)NC(=O)OC(C)(C)C 1801120713 SNFQAGJAWMBLND-MPWIWIEXSA-N 490.557 0.361 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C2)NC(=O)OC(C)(C)C 1801930470 KCKWDTVKPNJEKC-RDGCENLJSA-N 466.579 0.960 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1802040569 GHSPCBJAPHJUHN-JFFVILDFSA-N 487.576 0.934 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Cn1cncn1)C2 1802125724 PQPVJARJSZBZJI-QTMHVTGLSA-N 474.562 0.420 30 20 JCED C=C1C[C@@H](C(=O)NC[C@H]2CCN(C(=O)C(O)O)[C@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1813164773 ZWGNOTLWQSUUCP-SQNIBIBYSA-N 460.531 0.964 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817270701 MGPGFHLKBVKSTQ-WBTMPAOCSA-N 481.600 0.339 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)C)CCN2C(=O)OCc1ccccc1 1828854664 WWMNMXWHMAUOCM-ZXAYODBVSA-N 497.596 0.859 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCN2C(=O)OCc1ccccc1 1829243750 HFHNKILSTDXVTN-RUZDIDTESA-N 498.536 0.395 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829626648 LESPVEWBSOSHJQ-ZJSXRUAMSA-N 456.543 0.862 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(c4)n(C)c(=O)n5C)C3)C2)C1 1829667941 DMDKWZCWUUVMMR-XMMPIXPASA-N 454.527 0.913 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)nn1C 1830954231 WFTQVVLVERTVQT-DEOSSOPVSA-N 469.517 0.981 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1831387288 MQLDBYBHNUUFRW-BVZFJXPGSA-N 483.521 0.167 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C(=O)OC(C)(C)C)C3CC3)C2)C1 1831388643 VMTHXNBTXWZVPR-UUOWRZLLSA-N 479.574 0.881 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc4[nH]ccc4c3)C2)C1 1831401942 JUYJUBKMXUZHNO-UUOWRZLLSA-N 454.527 0.990 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1831484273 VJMYLYFLSZZQEP-QHYAIYAISA-N 493.626 0.577 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1832000551 TXLCRKGXCMFKIW-AOMKIAJQSA-N 478.550 0.653 30 20 JCED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CCC1=O 1832379723 BMMISGPLWXHTTB-HSZRJFAPSA-N 471.489 0.304 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1)C(C)(C)S 1833223025 DMKMVOZSQNILTL-MRXNPFEDSA-N 488.651 0.470 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833223925 MXXITRARIAUCSD-IBGZPJMESA-N 480.606 0.566 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c(O)n1 1833700489 ZIKNXHMAYIKWCG-QMHKHESXSA-N 458.515 0.112 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)c1 1834560661 OCKVWIHAALDJBE-RUZDIDTESA-N 492.536 0.201 30 20 JCED COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1C 1834580024 JYBHJTOJSKWONP-SJAQWOJPSA-N 476.530 0.998 30 20 JCED N#Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)CC[C@H](N)C(N)=O)CC3)CC2)cc1 1834732336 QCMXFXLXYCVYCB-QFIPXVFZSA-N 468.602 0.655 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)cc2C1 1835102845 MNPUTISZQWUSOL-AREMUKBSSA-N 477.565 0.840 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n(-c2cccc(=O)n2C)n1 1836260453 YKDWBBVCRBSEDA-DEOSSOPVSA-N 482.541 0.499 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836315973 LBFVFDFSDIBROT-OBKNTDCBSA-N 450.467 0.820 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837293275 UIIJPKMBBNVZOL-URXFXBBRSA-N 485.541 0.459 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1837403619 OYQAGIGIILFRAB-MBSDFSHPSA-N 457.531 0.681 30 20 JCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)c4cc(=O)n5[nH]nnc5n4)CC3)CC2)CCC1 1838023091 NOAADNAWJGBMQG-UHFFFAOYSA-N 454.491 0.119 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OCCCO)cc1)CCO2 1838544801 SYJJCOPXGYYWRE-KWQGRVAKSA-N 487.553 0.376 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)c(C#N)c1 1839133031 YAGUZVOXUIDMSW-VWLOTQADSA-N 493.520 0.599 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839139627 OBYOPXSTNPPHPQ-YWZLYKJASA-N 461.581 0.302 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839185158 PHSNJQBBIPMPIZ-GLDPYIMESA-N 478.590 0.830 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1839223483 WUDJHGVCQDWXGV-MGPUTAFESA-N 453.471 0.653 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839424782 CIOVBLIRXHNZNC-FQEVSTJZSA-N 469.947 0.716 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c(C#N)c1 1839784185 SZERZHRSFMNYDP-REWPJTCUSA-N 491.566 0.143 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCN(CCC)CC4)cc3)C2)C1 1839809379 MBXRKVMNMIXZFW-RUZDIDTESA-N 454.571 0.922 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(n4ccnc4)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839810294 PCXUKKRXGSFURN-DNQXCXABSA-N 487.557 0.309 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(C)=O)CCO3)C2)c(O)n1 1839884105 TUIGVMSIZXMKOD-QHCPKHFHSA-N 460.531 0.502 30 20 JCED C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1840027241 LWVWJDJQBRSDED-YJYMSZOUSA-N 452.305 0.772 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1840164591 BPMMQUJRIUZSCU-WPWBMXPQSA-N 471.554 0.426 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840294879 RNSPTALLDOBZNU-UMEGOILYSA-N 493.601 0.864 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840316425 UKWYXUYFXVSLMR-ZWDAVXSWSA-N 450.919 0.868 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1840796175 YEFRUQZIXBMONN-RHGYRFJNSA-N 496.605 0.814 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1840796887 SFOWKYYENQLNKM-GGUMNFRJSA-N 494.589 0.438 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840882115 AFJHXRUMJLPFJD-QMHKHESXSA-N 496.561 0.449 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)[C@@H](O)C=C)C2)C1 1840908527 CBEHOZHTTNPJHY-XHNVNVPESA-N 493.601 0.933 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1845210001 QOFKWJOLHYQBFM-GOSISDBHSA-N 494.485 0.786 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1846212019 BYFSOLTXOLHGAT-INIZCTEOSA-N 479.578 0.928 30 20 JCED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1846331250 CQYJEWUGVHSWNB-INIZCTEOSA-N 455.577 0.931 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1847071503 IAVBGRYMSWHBLA-HZPDHXFCSA-N 480.562 0.950 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1847640867 IHAAXBNOWBTGOV-FFTQPMPQSA-N 468.551 0.993 30 20 JCED N#Cc1c(CCCNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)nn(-c2ccccc2)c1N 33023889 CKGQJXQVYIMDCD-DOTOQJQBSA-N 470.555 0.411 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1F 502042818 PKWDFSRHXHBWAQ-LBPRGKRZSA-N 459.478 0.565 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(F)cc2F)c1=O 502047489 JLCUXCBVNQCMNN-UHFFFAOYSA-N 457.462 0.273 30 20 JCED C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 508089449 POJHDGQTJVVFCB-CYBMUJFWSA-N 469.951 0.738 30 20 JCED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 514342313 OZTGFHRZBURODV-LJQANCHMSA-N 496.703 0.916 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 604434342 YKRFLZUODOHPBC-UHFFFAOYSA-N 456.480 0.952 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(OC)nc1 608884156 MNDOBIJZEPMAQI-UHFFFAOYSA-N 457.537 0.415 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccnc2N2CCOCC2)cc1 642991486 JAHKSJQGVZIXMV-UHFFFAOYSA-N 473.555 0.980 30 20 JCED O=C(Cn1cnc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1)NCc1ccccc1 725737720 QEEJCKKFFVBMFU-UHFFFAOYSA-N 467.511 0.662 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3cnn(C(C)(C)C)c3)c2=O)cn1 726180281 FBHOTFBJOUYHNI-HNNXBMFYSA-N 483.598 0.721 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1cc(OC)ccc1OC 726576994 FKTSDIAEABGZLJ-UHFFFAOYSA-N 486.575 0.947 30 20 JCED CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 744919718 IBOSLEHEZTUIAQ-PEZYZRJDSA-N 451.549 0.857 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 744990832 QWNWTYUZZAXADF-IQGAEYHTSA-N 490.472 0.717 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 749356608 SFXMZTOFIFSFQA-PYCFMQQDSA-N 486.620 0.198 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)Nc1ccccc1S(C)(=O)=O 853666341 MILLVIRVEMFJCD-CYBMUJFWSA-N 465.509 0.810 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)c1 918616498 PINWMGYQILCUKV-PGMHBOJBSA-N 454.534 0.150 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1295364426 ZAJNLSUXRKOWSW-SOLBZPMBSA-N 452.629 0.795 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1298013832 XQWSGAAHORADJV-HXUWFJFHSA-N 485.614 0.994 30 20 JCED C[C@H]1COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1494605353 WBWTURSGGIKQSB-HKUYNNGSSA-N 481.623 0.462 30 20 JCED Cn1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)n1 1517386633 SFXRLOGMSPTKQH-MAUKXSAKSA-N 452.516 0.029 30 20 JCED CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1708331502 DQCYLMBIUHNRGZ-RUZDIDTESA-N 497.600 0.871 30 20 JCED CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1731018966 PWCKORLQRJBAPY-UHFFFAOYSA-N 486.602 0.652 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)[C@@H](C)C1 1741055549 KGGLBLSYJUCHHT-HNNXBMFYSA-N 461.548 0.335 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1767214273 QATKWEKTCNRYSB-UHFFFAOYSA-N 452.563 0.943 30 20 JCED COCCN1C[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1=O 1769875390 IPHSTZXATKELSL-FUHWJXTLSA-N 458.567 0.088 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1779323252 OJTVAVBOFIAEMA-AXHZCLLHSA-N 496.605 0.827 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C3)ccc1F 1780756558 IQMGOWSPGKCSRS-YCRNBWNJSA-N 459.522 0.347 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1781112278 PPMLJJUCMBMJHZ-YTZAWJCFSA-N 493.605 0.326 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)cc1 1781787118 UACSQXPXSBLIHB-JOCHJYFZSA-N 469.523 0.661 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)Cc1ccccc1NC3=O)C2 1782013381 JCBMWUUCHFQAOE-CJFMBICVSA-N 491.504 0.713 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1782847676 ALGFPRMYRXFZJJ-NTYIRJOJSA-N 499.568 0.311 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CCO2 1783055682 VKSSASDAKFYHBI-QFIPXVFZSA-N 463.531 0.690 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1783546354 XJGGHUPXBAMXMU-VQBGDGMRSA-N 491.585 0.879 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783771575 RIIHPCJFUQWYAM-JLTOFOAXSA-N 492.495 0.964 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)C1 1784015852 VPHPTSILXYQBIW-ZEQRLZLVSA-N 493.605 0.470 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784389583 GYDJRPFVGTZPED-OKYOBFRVSA-N 477.558 0.836 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1788658083 DUFBZKYIDKERBA-GFWFCBDLSA-N 461.475 0.297 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)n1ccccc1=O 1788746069 KOPRBSVZMSGDQJ-YHJQQMQWSA-N 460.531 0.918 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)[C@H]2C1 1789774394 DFCKRDFYQZCLSU-BPBFDTGDSA-N 491.585 0.783 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(S(C)(=O)=O)ccc3F)[C@H]2C1 1790310555 FPTJWIGKOFRCBL-OFVDUGFESA-N 466.531 0.861 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790655763 VYEOTYQMNRHSDK-WFXMLNOXSA-N 495.492 0.687 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(Br)cc(F)cn4n3)C[C@@H]21 1790793688 BIRPVTBJMBTDTI-JKOKRWQUSA-N 450.268 0.857 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@@H]21 1792257764 LQWZVNZYNWCCRU-KANFNMMFSA-N 459.547 0.849 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCSCC1 1792467577 PBMKKWGLZLATDD-DMUMMCEESA-N 480.631 0.541 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1793597173 FCIPFXVPHORZKO-FQLMCAECSA-N 478.506 0.991 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1793832988 HXYPAYVOCBDVAV-QKPAOTATSA-N 466.535 0.637 30 20 JCED Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c2ccccc21 1797172305 CKWDMZBDIDUMQS-OUAMPJJDSA-N 485.541 0.459 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCNC(=O)OC(C)(C)C 1799255596 YUWRCOUCKFXCFC-BMFAXAFESA-N 455.552 0.708 30 20 JCED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1800493345 NAMBPNYLMXSXJE-CUSZFKRNSA-N 499.572 0.928 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)C[C@H]2C1 1800698503 PKQBGUQJOGNJMG-QTSPYONBSA-N 461.515 0.311 30 20 JCED CN(C(=O)OC(C)(C)C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)n(C)n1 1800778384 RGRRCWTUHKCPIX-HBCWATKFSA-N 475.502 0.083 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800799810 JHKTULCETNHGGQ-LVEJAMMSSA-N 483.562 0.624 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1OC)C2 1802125337 VJBZDTOHBQOTDS-MVJTYMMSSA-N 475.546 0.549 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807149021 CBIMJHZSIQLMSM-IEBWSBKVSA-N 459.620 0.853 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1810100446 UAPGVFLKVRQJRK-KPFFTGBYSA-N 462.503 0.661 30 20 JCED Nc1n[nH]c(CCC(=O)N2CC[C@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@@H]2c2cccnc2)n1 1810357266 JQVHHFJHYGUIQK-PUTXIASDSA-N 470.534 0.950 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)COc2ccccc2C#N)[C@H]1c1cccnc1)C(=O)C(=O)O 1814066155 XOFAIJPSEHRDQY-PGRDOPGGSA-N 479.493 0.581 30 20 JCED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1815213476 XJTAZGQCDDRPBV-DOTOQJQBSA-N 453.565 0.723 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)cn1 1817792121 BIBUGOMTAYRJCN-INIZCTEOSA-N 459.484 0.743 30 20 JCED CN(C)C(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819900134 DNQOJNHTRPDCPF-ZZWZWWIRSA-N 452.537 0.855 30 20 JCED Cc1ccn2c(=O)c(C(=O)N[C@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)cnc2c1 1825667946 VIQNVFVUGGNXJC-LBPRGKRZSA-N 451.464 0.773 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCN2C(=O)OCc1ccccc1 1828506273 ZPYFTDIHXPQCHP-DVECYGJZSA-N 452.511 0.598 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828969744 MSTMZVJCMAUXPK-WLENULPWSA-N 491.614 0.350 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3(C#N)CC3)C2)C1)n1cnnn1 1829396758 RZDILPGWQWFNLN-MHECFPHRSA-N 492.540 0.990 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O)CCO2 1829691867 PFTGJVPUBYKWHJ-IMRHEYAYSA-N 465.547 0.084 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3Cc4ccccc4C3)C2)C1 1829777350 WWPJJVFFMKGQPT-UTBBOMKLSA-N 453.539 0.716 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CCO2 1830385743 RKLHIOLSOSTHLU-ZKDOBXEASA-N 499.630 0.518 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1830573831 RBESFRXDSBBCMN-VGOFRKELSA-N 453.536 0.132 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCC(=O)OC(C)(C)C)CCO2)C1 1830798938 TVFHUDZXMDPUJK-FDDCHVKYSA-N 452.548 0.993 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831223804 ZVQHBGVBPMJHDS-YADARESESA-N 459.543 0.773 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1831397681 VWQXXRXRFLQBSU-JBUDQFAYSA-N 475.517 0.498 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)C2)C1 1831401895 HQCXIMFQRWDWNG-XLNZFTOWSA-N 479.574 0.951 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CC(N)=O)CCO3)cc1C#N 1831615420 QIZHJMFDEXTNQY-XDHUDOTRSA-N 472.542 0.927 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1831723398 MTHPABJOGZTPCJ-FSBGXSNOSA-N 487.619 0.786 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831999176 XIIITHSUENFFRE-ZHRRBRCNSA-N 468.551 0.000 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832878005 SCHZNJPSSQTLFM-QHCPKHFHSA-N 476.530 0.100 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)cc1 1832878033 UFTLLUPNDJIVLM-XMMPIXPASA-N 465.510 0.776 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)C(O)O)CC3)CC2)c(C(F)(F)F)n1 1833220613 NLPICWZBNZBOCZ-UHFFFAOYSA-N 455.437 0.468 30 20 JCED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)CNCP(=O)(O)O)CC3)CC2)c1 1834663838 PPXKAWVSVPNOMX-UHFFFAOYSA-N 491.529 0.787 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC)CCO2)C1 1834813153 NAWRGYYCODFIFA-UZUQRXQVSA-N 498.577 0.658 30 20 JCED C[C@@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674404 JIONMKKQFKUJLJ-IIBYNOLFSA-N 464.592 0.682 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1835710214 MFQKMWVDNIQADS-VQIMIIECSA-N 451.612 0.839 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1835768768 DPGNEOVWCPRTCS-UVPCLOGWSA-N 484.561 0.839 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCC(N3CCC(NC(=O)C/N=C/c4ccco4)CC3)CC2)no1 1835780008 DKACSHPMLHHGBD-AFUMVMLFSA-N 484.557 0.997 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)cc1 1835998089 MUHYREPAMVQDCK-XMMPIXPASA-N 450.495 0.685 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C)CCO2 1836761569 STTZPMNDPVOYMX-GBWYYYKWSA-N 493.601 0.984 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CC2)CC1 1836860635 VDHFHLPJRBYUCG-KRWDZBQOSA-N 469.542 0.982 30 20 JCED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493670 QFEUMCGCOCTOAW-XMSQKQJNSA-N 454.589 0.255 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1837531024 WHBVFDXIORTDJI-GTBXIFBCSA-N 463.487 0.697 30 20 JCED NC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc1 1837532236 ASCCADSRQNGUBG-LDVHSUHUSA-N 474.514 0.385 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1837565181 NLXCDTYRZXQXBD-JBMWNJKUSA-N 457.487 0.448 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837677770 DJDYVIMTEQUWME-AVRWGWEMSA-N 486.569 0.871 30 20 JCED NC(=O)[C@@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1837881941 XUEXABHODAQVCZ-PTFSYIGCSA-N 450.584 0.050 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598620 SJVUGDJWKLHGME-PGRDOPGGSA-N 478.933 0.433 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(C#N)cc5)CCO4)C3)(C1)C2 1838952863 JMUXAIKEMQXDAW-KXTRFFEISA-N 453.495 0.972 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1839109628 OQGZDZGVWBQWCP-GLDPYIMESA-N 479.574 0.474 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839227836 ZSZFSQPIKYMTDA-SUMWQHHRSA-N 453.414 0.349 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486025 IKHNHJIKANEIFE-YKSBVNFPSA-N 466.542 0.989 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2)C(F)(F)F 1839668039 WMFGMHFKYIOQRI-MGPUTAFESA-N 470.448 0.775 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2ccnn2)CCO3)c(O)n1 1839706377 KYMVTXMTGVGXSR-UZUQRXQVSA-N 470.530 0.829 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1839810510 AJTXULHDGZEYGW-IERDGZPVSA-N 455.577 0.678 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840017995 PILYHGGMHQOSQD-JDWVLIONSA-N 491.585 0.594 30 20 JCED COc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1OC 1840043679 OGDNYAPLRBNVRS-OAQYLSRUSA-N 450.419 0.001 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840176197 ZYKTXARTSZPMTQ-PLOUGOBLSA-N 479.574 0.901 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c1 1840410685 MYJXNMPNTSQBGR-HSZRJFAPSA-N 467.482 0.506 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)c(F)c1)CCO2 1840772598 WKRNSAATKJOADQ-OAQYLSRUSA-N 452.504 0.713 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)cnc2s1 1840813903 CWAVEWMQIISPRU-JOCHJYFZSA-N 471.539 0.828 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1ccnc1 1840818546 IZWBFTYGXRVBGV-JPYJTQIMSA-N 453.499 0.851 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)COc2ccccc2C#N)CCO3)CC1 1840819104 OUIAKKIPPQVRSA-VWLOTQADSA-N 485.585 0.031 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1840844311 OGZGNQCGSMAPJM-DSPLJNTKSA-N 461.559 0.969 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1840907065 OOTHSEDAJFBVKR-YADARESESA-N 489.573 0.565 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844297133 USZULYNSQOUDOV-AZUAARDMSA-N 478.590 0.537 30 20 JCED CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845013658 VDAWCSNQKLGKHM-INIZCTEOSA-N 464.613 0.999 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)CN(CCO)CCO)C2)N(C(=O)OC(C)(C)C)C1 1846034850 NEXXJSFMVSVXIK-SFHVURJKSA-N 466.579 0.042 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)O)C2 1846365933 DZNUTZPYHBWLRK-GJZGRUSLSA-N 454.524 0.376 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1[C@@H]2C[C@H](O)[C@H](C2)N1C(=O)OC(C)(C)C 1847261334 ADTWEOGNZGNDEU-NBNGXZSJSA-N 488.585 0.805 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@@H]2NC(=O)NC2=O)c(C(F)(F)F)n1 1848131168 VKEVBDQAGKCMJC-AVGNSLFASA-N 450.377 0.386 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(c4cc(C#N)ccn4)CC3)CC2)cc1 29446731 NQJRFZWHNZHKDM-UHFFFAOYSA-N 484.582 0.617 30 20 JCED N#Cc1ccnc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)c1 29446736 SDSYJLZUBHQTMX-UHFFFAOYSA-N 472.546 0.747 30 20 JCED CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 483061255 UVPJHJMKDOUANY-UHFFFAOYSA-N 490.563 0.574 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(OC)c(F)c1 523299449 OYZNHYGYSXYQIB-UHFFFAOYSA-N 454.483 0.707 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 603591938 QKLXRLUMUFKDEF-UHFFFAOYSA-N 461.500 1.000 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccccc1 603791448 ZQMJXQJYRLHTRD-UHFFFAOYSA-N 480.615 0.971 30 20 JCED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 604147862 FZTSAPICLFTFRS-UHFFFAOYSA-N 497.577 0.862 30 20 JCED CC(=O)N1CCN(CCOc2ccc(CCNc3c(C#N)c(=O)n(C)c(=O)n3C)cc2)CC1 609075234 YYARINWKJZBLQL-UHFFFAOYSA-N 454.531 0.153 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CCN3CCC[C@@H]3C2)C1=O 726404312 VVLBOBYFIPVFKK-OKKWGXQQSA-N 479.628 0.897 30 20 JCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577565 RXEAIHJDDFZUOS-UHFFFAOYSA-N 499.618 0.847 30 20 JCED C#CCNC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 852963955 IBRFLXBKDRODDT-OAHLLOKOSA-N 469.947 0.634 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)ccc1F 915386628 VKSBHZVDPIGHMV-UHFFFAOYSA-N 491.501 0.964 30 20 JCED C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)c1ccc(NS(C)(=O)=O)cc1 916486458 SZJVYYKPWLQZTE-GFCCVEGCSA-N 465.509 0.911 30 20 JCED CNC(=O)CN1CCC(NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 916711258 KRDFYOAHRHSJRI-MOHJPFBDSA-N 450.565 0.831 30 20 JCED CNC(=O)[C@@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 918986478 MYSPAVMWFWPPIN-IBGZPJMESA-N 458.496 0.639 30 20 JCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 1169880798 PINOMJLWTGWYGQ-ROUUACIJSA-N 451.618 0.957 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1314630903 MTLVUOQCMLTIIM-ROUUACIJSA-N 458.567 0.186 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1360695308 TUWGZUVKBBNMDO-PBHICJAKSA-N 458.610 0.986 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1503817826 INZQRXXYEUCRFX-IBGZPJMESA-N 494.600 0.998 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)n1 1511713725 YDYBJCYMGRRVSH-SFHVURJKSA-N 461.596 0.208 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1657692084 NUCROIQZKSYTBP-AWEZNQCLSA-N 454.549 0.998 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)C1 1741984469 RJIFGZFDRZKDPA-QAPCUYQASA-N 456.594 0.346 30 20 JCED CS(=O)(=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CC1 1750191873 WMINVWOJEJEVNF-CYBMUJFWSA-N 450.546 0.576 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1766723141 NIBLGSHGPIQROA-IBGZPJMESA-N 473.603 0.915 30 20 JCED CO[C@@H]1COCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1770671428 XOWCCXAJKJRMTR-RCCFBDPRSA-N 482.607 0.793 30 20 JCED C[S@](=O)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1771372397 UYJSVDCKYBSRGP-LHQHVEIWSA-N 463.585 0.836 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2)[C@H]1SC(=N)NC1=O 1778085620 VMZUHXGAHMBPLJ-AUSRVFDOSA-N 458.544 0.816 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Br)cc4cn[nH]c34)C2)C1 1778714184 VWRIBCQRTSJPFR-IBGZPJMESA-N 461.272 0.857 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1779066351 RSRCDKHVRLGTBH-RUZDIDTESA-N 495.536 0.821 30 20 JCED O=C1COc2ccc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)cc2N1 1779103309 SDSMSMSAXMCAGQ-JHBFLWBLSA-N 472.498 0.990 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1779237919 VSKSMOYSEIWDQB-YRWBNLPSSA-N 475.546 0.646 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779423069 CLGJHOAULZEZJL-FJIYLRAKSA-N 497.545 0.524 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779545050 OMRMTEXALAIJCO-YMTOWFKASA-N 450.302 0.776 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781040007 BWZNJTQFLJFNGP-GEYWLOKFSA-N 452.552 0.009 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)Cc5ccc(F)c(C#N)c5)C4)C3)CC2)CC1 1781299121 DEHGSLNFPVVYAA-DEOSSOPVSA-N 469.561 0.850 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1781401254 XBSMVNXIANSIOR-YDSTWLSQSA-N 482.578 0.988 30 20 JCED O=C1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CCN1 1782270255 NWGMETXMZMIUEU-ZLBCRMHBSA-N 450.536 0.556 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)CCO2 1783046804 VRUCZNMAGGJHTI-GOTSBHOMSA-N 460.531 0.996 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1783133886 KXAZFXWXYPBUDI-NTKDMRAZSA-N 466.494 0.376 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C[C@@H]21 1784502933 LBFJAQTTXRYRGW-LQJIQPLVSA-N 465.572 0.811 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784506283 LJFJKXROWZRLFV-LFDJNIOPSA-N 469.579 0.833 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1785574345 HMBZMTZDUXAOGS-OPAMFIHVSA-N 461.519 0.667 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccncc4=O)C[C@@H]32)c(O)n1 1785774513 GDELSZMYKCQUBT-VDGAXYAQSA-N 467.526 0.756 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1788472606 XSANGEFAJAXEPQ-YZZRYBLGSA-N 462.478 0.284 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788705925 DGRGJJLBYQBNCY-DWRORGKVSA-N 473.530 0.084 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(F)(F)F)nn3C)[C@H]2C1 1788961116 ZSIRPKLXSKJBQK-KIDWBVPLSA-N 469.464 0.891 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)[C@H]2C1 1789702808 KQIIKISMBDIMRJ-BPUTZDHNSA-N 460.556 0.397 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789881419 OWWAXKFNRMDDAM-FSGKZVOOSA-N 478.590 0.797 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792279520 ZMHKLSYCSFTGTN-XSLAGTTESA-N 481.594 0.884 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(C)ccn3c1=O)C2 1792489382 SGZRYNMUKUZYRE-BEWPNNSKSA-N 465.510 0.065 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793085644 BZKJOIADRKRBMB-ZHCJQAHYSA-N 459.609 0.806 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2 1793342848 WBNKFVLJCXSBMX-JCECYMMASA-N 453.536 0.154 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1cccc(F)c1)NC(C)=O)C2 1793349651 FSUYAIZTMZGRCX-UGFIEOPBSA-N 459.518 0.501 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1793359038 IWVINZXQCRKHGO-JCECYMMASA-N 455.552 0.443 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1793380117 MVYCUFIXARCUKN-LVSLPLRBSA-N 450.561 0.537 30 20 JCED O=C1CN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#Cc4ccccc4)cc2)C3)C(=O)N1 1793834670 FXBZPMUSSLBXSD-BRTYFSMRSA-N 486.528 0.841 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2cccnn2)C3)c(O)n1 1794491060 SZCATEWVYGKPKB-VPTLXERWSA-N 453.499 0.978 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNCP(=O)(O)O)c1Cl 1795520624 JLTIPULSWKNIEP-FVCICTRLSA-N 456.823 0.140 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)OC(C)(C)C)C1 1797146351 KLIKDPMBBWGAEU-IZZQQSIFSA-N 465.547 0.952 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cc(C)on2)c1 1797829141 IIPCIEGKAINRLR-RMFSNUHRSA-N 451.483 0.796 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncnc1C 1798200391 SNNSOGXMHJFWDP-UKBAYJJMSA-N 457.531 0.905 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc2c1OCO2 1798476311 SZYSQGMWLPIFES-CWPLJXCYSA-N 450.451 0.964 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccccc2=O)C3)c(C#N)c1 1799237414 IUUUAWIJDPZJTR-NHKMSHSESA-N 450.495 0.561 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2)C(C)C 1800211868 TYUHUFCMEFGNQX-WFNPHZEWSA-N 476.530 0.084 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2)[C@H]1CCCS1(=O)=O 1800390060 UAHANQZSZZEHAN-YNVMFWSZSA-N 450.944 0.858 30 20 JCED Cn1nncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800906549 VEVCFVGMFWFSTL-OCVGTWLNSA-N 482.607 0.620 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2)NC(=O)OC(C)(C)C 1801932033 KCKWDTVKPNJEKC-KNRPQUBCSA-N 466.579 0.960 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1 1802484778 YFMJXCDRCSUZKX-RVBASHTNSA-N 453.459 0.891 30 20 JCED Cn1c(=O)c(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nc2ccccc21 1812877362 KZRLNILQWTZFCL-ZHRRBRCNSA-N 459.462 0.736 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)/C=C/C(=O)NCc2ccco2)[C@@H]1c1cccnc1 1812881640 YCZPNUQLXMPWSK-RNNSKVFSSA-N 450.451 0.641 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1813335120 BKYCHHBYDGWZQZ-CEMLEFRQSA-N 494.600 0.840 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817272397 BCWUCZJGQPOKHR-NWGMWSOJSA-N 482.632 0.952 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2C1 1818638618 HSELDUNBCGAMKM-IDTUSYRASA-N 495.627 0.585 30 20 JCED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1823079461 MVQTUORJNZLRAU-WDEREUQCSA-N 458.504 0.901 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCN1C(=O)c3ccccc3C1=O)CC2 1825661488 UDQGOTPPVIJCSM-GFCCVEGCSA-N 466.475 0.829 30 20 JCED O=C(C#CC1CC1)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)COCCO)C2)C1 1828574567 DCKBOEZFZJKUKY-VWLOTQADSA-N 469.538 0.861 30 20 JCED Cc1nc(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)no1 1828634977 VHILBDQRXLVJBE-DEOSSOPVSA-N 495.492 0.461 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4c(Cl)cccc4n3)C2)C1 1829766346 SQZWLWDWDKGRPI-KSEXMQBYSA-N 487.944 0.916 30 20 JCED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(=O)c1ccccc1 1831146030 WQCFJNYWSIGXOS-MHZLTWQESA-N 497.592 0.914 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1COc3ccccc3O1)CCO2 1831222894 KEOBBMYTJTWANJ-VUCTXICCSA-N 485.537 0.531 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCNC)C2)C1 1831998640 OYNQJUPMLFJOQZ-FDDCHVKYSA-N 468.595 0.912 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1832458282 JKHZMDVVGDHECM-JTSKRJEESA-N 487.619 0.638 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832522302 ZIRXSBVHQGZTQG-NPGLCPDYSA-N 450.580 0.713 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)c1 1832793819 UMIQXWFALVYDGF-HSZRJFAPSA-N 482.497 0.752 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c(C4CC4)c3F)CCO2)C1 1833678436 GYZFBGNUSSXRJW-QFIPXVFZSA-N 462.526 0.778 30 20 JCED CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)o1 1833896651 XDBQZTMBPNNFRI-HSZRJFAPSA-N 453.499 0.925 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnc(OCF)cn3)CC2)CC1 1833987944 RNBNGLILQNWVPQ-ARJAWSKDSA-N 474.537 0.826 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CC1 1835400228 OFXZCROCBFLEOZ-VWLOTQADSA-N 489.016 0.785 30 20 JCED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)C(=O)O 1835756098 CJWCMKQHHLDOKT-QRWLVFNGSA-N 499.446 0.105 30 20 JCED Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n1 1836064201 JBVZHEHSPBNWAX-HSZRJFAPSA-N 463.498 0.481 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)ccc12 1836253705 JUDYPQIQEPTKON-JOCHJYFZSA-N 455.471 0.495 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccoc1I)CCO2 1836262875 UFIFFFZNLYUWNH-MRXNPFEDSA-N 459.240 0.868 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836756839 VDTFHAWSIHOHNS-SFHVURJKSA-N 481.546 0.349 30 20 JCED O=C1CN(CC(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)C(=O)N1 1837076959 LZYMPRODYDDMNB-GWJNGDFSSA-N 479.534 0.066 30 20 JCED Cc1cnc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)cnn2c1 1837529399 SRNJFVQMJIFMHB-UYYJYFBJSA-N 486.529 0.637 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837531622 REVIIOMAWYRKIC-XXZIPLLVSA-N 467.910 0.729 30 20 JCED CCOC(CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)OCC 1837533187 KOLAAKWYQXNRJS-OEEWFINQSA-N 471.551 0.761 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1)c1ccccc1 1837614572 QPJUKIPEACSGFH-YADARESESA-N 452.511 0.516 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCSC)C3)C2)c1 1838583784 ODKXZHULIQFXFD-DENIHFKCSA-N 463.556 0.751 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838605245 UWYJBXWQUNOTML-RBZFPXEDSA-N 463.516 0.067 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)c1 1839652062 MBOIDMQITGZZPE-QHCPKHFHSA-N 469.473 0.896 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1839840171 ZDHXOMRNLSAHND-KKSFZXQISA-N 451.545 0.767 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1839871439 IHRUZDJPGCCFPQ-RLSLOFABSA-N 469.538 0.482 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1840171014 JIPQVRMAFGDFAN-NTKDMRAZSA-N 481.590 0.911 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1840180871 YJDDCKQEPUKXEB-FGZHOGPDSA-N 479.917 0.897 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840573476 UOWSPWGWTWKWEM-DQMJNTIXSA-N 478.590 0.474 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1840819584 URGPHXOYIHDSSG-QHCPKHFHSA-N 472.498 0.236 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840854663 IZNSDCOOEOBHON-HYBUGGRVSA-N 482.541 0.809 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1840906849 KQHABHQFRJBPFU-HJPURHCSSA-N 493.536 0.844 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1843104261 JADYEDUXDIYLFX-IRXDYDNUSA-N 463.579 0.842 30 20 JCED COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1845245966 QVAHPLIBDIVLKG-HKOYGPOVSA-N 468.595 0.748 30 20 JCED COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1845246012 YGZRWJLTLCZHSO-ZRZWOPFXSA-N 485.578 0.805 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CC(N)=O 1847856807 RVJQEAVSURSBCJ-NCOADZHNSA-N 495.577 0.505 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 18447233 VYDGCNNPMZPOHZ-ZBFHGGJFSA-N 458.558 0.732 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3csc(C)n3)c2=O)cn1 523182242 BUEFUPVXABRGDZ-UHFFFAOYSA-N 456.553 0.242 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(F)cc3)c2=O)cn1 524275162 NZOHZSFIZFCRNE-UHFFFAOYSA-N 466.494 0.804 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCCSC 603998396 OBMNXMJEFIHISN-UHFFFAOYSA-N 475.592 0.700 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CCN(C)CC1 604434746 GVDSVUQUCKSAMA-UHFFFAOYSA-N 486.619 0.385 30 20 JCED COCCn1cnc2c1c(=O)n(CC(=O)NC1CCN(CC#N)CC1)c(=O)n2Cc1ccccc1 609328524 HHWXZYLFNZLVEX-UHFFFAOYSA-N 479.541 0.159 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1=O 726043656 PEHRKNAPSGGWOD-UHFFFAOYSA-N 475.413 0.921 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCS(C)(=O)=O 729673036 RLDZKWLKKWXNFT-UHFFFAOYSA-N 487.962 0.013 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N1CCSCC1 730551198 VFKNEEXQERTLDI-MRXNPFEDSA-N 488.657 0.635 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)c1C#N 1128139043 UNDMRPJDPYPZTG-UHFFFAOYSA-N 458.544 0.584 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1314010612 MSFLCFVEXPUKCC-GOSISDBHSA-N 475.575 0.725 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCCCCC1 1541942442 DMJWOYQFOKIJHF-PKOBYXMFSA-N 464.640 0.941 30 20 JCED C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1565853207 LNBRARLQKGRQIO-QGZVFWFLSA-N 456.572 0.837 30 20 JCED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1661293473 OPSATAHUQMSPTA-UHFFFAOYSA-N 450.970 0.753 30 20 JCED N#Cc1ncn(CCNC(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)n1 1680968257 KVARQILBMRHXBN-UHFFFAOYSA-N 454.516 0.804 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(C)CCOCC1 1692797039 ULKKWEUVXLIZRY-NVXWUHKLSA-N 451.597 0.882 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1712442805 JOOLEMUBCMHNCY-LJQANCHMSA-N 487.586 0.789 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1729314682 SKRIXODGLWFEDA-UHFFFAOYSA-N 471.587 0.604 30 20 JCED CNC(=O)c1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1729652587 SSNJSMSDKZCZPP-LPHOPBHVSA-N 489.602 0.809 30 20 JCED CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1743909493 XGINVPYBTDLRLP-KRWDZBQOSA-N 452.563 0.942 30 20 JCED CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1769066407 VAXKEKOSXPFYGO-FQEVSTJZSA-N 485.614 0.994 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1779284120 HQQVNIUNXTYFNE-YGKZAACZSA-N 464.563 0.976 30 20 JCED COC(=O)C1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@H]3CCCCO3)C2)CC1 1779428161 JLMAAAJRAVHCAJ-QHZBMIPVSA-N 451.520 0.983 30 20 JCED Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn2[nH]cnc(=O)c12 1780019284 GECWKGNNTQYKGW-AEGKILRESA-N 472.502 0.304 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)S)C2 1780799847 TVFVJGBRSUSVJD-WOIUINJBSA-N 476.636 0.905 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)c(C#N)c1 1781174501 OMOGFGKQYVZAMJ-DEOSSOPVSA-N 478.509 0.193 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781339649 GGGVQOWMKJMCLC-WISBUKIJSA-N 478.546 0.804 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N1CC[C@@]3(CN(C(=O)CC#N)CCO3)C1)CCS2(=O)=O 1783474880 KFNLRKFMFIOIGS-HRAATJIYSA-N 496.586 0.154 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(OC(F)F)c(O[C@@H]3CCOC3)c1)CCO2 1783566558 DWLYFDMURFNWLF-MWTRTKDXSA-N 494.447 0.987 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1783766842 QFRRQEJBWLGECB-QRQCRPRQSA-N 477.518 0.801 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1784197022 AZBRNFHWVQBPAT-XSLAGTTESA-N 464.563 0.936 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1)N1CCN(C)CC1 1785379409 BYLWWMABIDIPIU-YADARESESA-N 455.559 0.403 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(=O)(=O)CC)C[C@@H]32)c(O)n1 1785772716 NGCDCAFOPYOTBV-SNRMKQJTSA-N 465.572 0.934 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787151245 QJQMEUOOJXBQMY-HJXMPXNTSA-N 456.590 0.386 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787500709 RDCGBLBJPNFZIV-VTMBPIDISA-N 453.565 0.569 30 20 JCED O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1)c1cccs1 1788651275 VNFAOAPCHCRUIR-OGQREOMUSA-N 463.556 0.117 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)C#N)C[C@@H]32)C1 1789808058 DUAQBPSHFRDFBR-TXTZMMAHSA-N 464.563 0.744 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncsc1Br)C2 1792488884 ZWMSIIGDVGVWJV-JFOCVIJASA-N 469.361 0.967 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)C1 1793257604 MVVCJVIESADYMY-CQVUMHHCSA-N 475.586 0.997 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1793350136 OJNAPIGWAVLOPS-OPVJXMOQSA-N 457.593 0.230 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc4n(n3)CCNC4=O)c2c1 1795353861 BOZJCOIINIKBFO-QDMKHBRRSA-N 458.482 0.940 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795602297 FZYVBTKTBXPAEW-FCGDIQPGSA-N 493.605 0.494 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1799200389 VETVYJWOSJRNIR-LMCLKVLCSA-N 473.530 0.317 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CN)C2 1799232313 ZRCVTMJITYTWHK-ZSXDVEMLSA-N 450.580 0.868 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C)C1)C2 1799232829 DTBMRCFAGWEBPE-YRPNKDGESA-N 462.591 0.834 30 20 JCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(I)c(O)cc1O 1799838033 HMOLRXKVHMCMFF-WRBXQSRGSA-N 471.251 0.819 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N(C)CC 1800170406 KGTHYPNRNAJLBU-QTMHVTGLSA-N 450.580 0.833 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800777425 SNMBHFMNVTVWGH-AMLORBGZSA-N 453.467 0.013 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800778450 YBGUWBUYNUQEAA-NAHJCDBISA-N 467.494 0.259 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1800787366 BWYYFMKPFDQGNQ-RPRDNOHOSA-N 473.570 0.748 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2)C(C)(C)S 1800907675 GPFCTCNVXYXMDI-YALNPMBYSA-N 475.608 0.187 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCC)C2 1800980797 HIOLEUBYERJADF-ZMMAXQRCSA-N 498.577 0.418 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801119666 JXQYQGUZMTWDSM-DLRJPAPCSA-N 490.557 0.361 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1802139776 PLNWTFSWEXUMTP-FWAWDVQESA-N 489.529 0.560 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CNC(N)=O)CC1 1804474251 UQQWIZDEDANOCH-MUJYYYPQSA-N 462.551 0.834 30 20 JCED CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1)C(=O)O 1807203999 KJUPAYVPUMHYSR-WOIUINJBSA-N 456.543 0.849 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1812878367 UTYFIEHZJICZCZ-NYUBLWNDSA-N 486.525 0.403 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)CN3CC(=O)NC3=O)CC4)c2c1 1823889033 YDRJYVWPTSOPKB-NSHDSACASA-N 478.494 0.669 30 20 JCED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1824506652 WEVWSNHBFJSPAJ-UYAOXDASSA-N 455.621 0.928 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1828580248 PDTXUXSYXJPGGH-NBGIEHNGSA-N 494.552 0.769 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1828922450 HKUXSTWYULQQHY-MBSDFSHPSA-N 469.498 0.851 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829120744 CDPFTTMCRACTIG-QFIPXVFZSA-N 452.471 0.228 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)CCCO4)C2)C1 1829770475 SNBNULQQPKGXQZ-UKDBKGKESA-N 483.565 0.869 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC(=O)O)CC2)[C@@H](O)C1 1830249708 MOJJXQUEIUYSIZ-OTWHNJEPSA-N 477.558 0.922 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831201499 NVYMDHHAPNGTPT-DEOSSOPVSA-N 472.542 0.943 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831275789 CYRKNWVILVDFFA-UUOWRZLLSA-N 494.589 0.276 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(=O)OC)c3ccccc3)C2)C1 1831388345 RDHDVDZGBTUUAL-DRMXPCRNSA-N 473.526 0.578 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1831420509 VYESMLLZGIMBDL-DVECYGJZSA-N 499.605 0.965 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1831435321 PLCXSPNMZMQIKA-AOMKIAJQSA-N 484.546 0.890 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)CCO2 1832009757 TXUVONNWKYSXHT-ZVVFGRKBSA-N 466.575 0.995 30 20 JCED Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1833039752 VHGRTZABABPYSE-CYSJGKSUSA-N 463.535 0.485 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cccc4c3NC(=O)C4=O)CC2)CC1 1833074972 JFRUUSDDZFDREL-SREVYHEPSA-N 493.564 0.865 30 20 JCED O=C(CNCP(=O)(O)O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1834665978 FPMXRRSUKBFEAR-UHFFFAOYSA-N 462.487 0.335 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)=O)CCO2)C1 1834719904 IQDZFKHWEMUVPZ-VGOFRKELSA-N 453.536 0.891 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)=O)CCO2)C1 1834720231 OBPWQCFYWNZWBL-FDDCHVKYSA-N 465.547 0.729 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1 1835045901 SDZOPFBWYRCDHK-PXNSSMCTSA-N 480.606 0.482 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)C1 1835347668 BPTAVHIDWFTDMH-XZOQPEGZSA-N 478.546 0.118 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CN4CCN(C)CC4)CC3)CC2)c(C#N)c1 1835482715 NSHGSPSNYOJGBI-UHFFFAOYSA-N 496.656 0.928 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1836213670 MGFFTFPXCQZRRB-BSRJHKFKSA-N 499.630 0.732 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1cccc1C=O 1837441938 JKBLPAYHVMCWPK-QHKZZKMGSA-N 459.547 0.790 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)cncc3F)CCO2)C1 1838165002 SMDLPKJOLQYEKI-OAQYLSRUSA-N 451.474 0.712 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1839130864 YGYYMSGEECGMHB-ZDQHKECQSA-N 493.601 0.911 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839130996 HBNDPGLCQRJSFM-URXFXBBRSA-N 472.542 0.480 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131647 QDPZYCDENPGZDF-MHECFPHRSA-N 455.511 0.604 30 20 JCED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)cc1O 1839186748 MFHUZLXMRWQZAT-QFIPXVFZSA-N 457.462 0.449 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1839223969 CVCYGUMEILRBBF-WAIKUNEKSA-N 473.530 0.837 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c1 1839420041 JHHANRKWHGJOAP-JOCHJYFZSA-N 456.430 0.480 30 20 JCED CN(C)c1c(F)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1F 1839469497 QGTDPYAWZWTMSM-NRFANRHFSA-N 451.426 0.189 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(NC(C)=O)c(O)c3)CCO2)C1 1839472190 HIFHISPBBYUBMF-HJPURHCSSA-N 459.499 0.459 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839499080 IOBMQLOHNFWYLZ-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CC4)CCO2)C1 1839608364 ZVSZQISPRSHGJL-XDHUDOTRSA-N 455.511 0.680 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)CCO2 1840038276 ODKNNBPMLBALPZ-JRINMYIISA-N 491.585 0.881 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1840082364 QBKIACKEYQOQLM-WIOPSUGQSA-N 498.617 0.907 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840289622 GXQVHBMVRAJEBW-MWTRTKDXSA-N 476.530 0.673 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1)n1cnnn1 1840478918 GFPHSWZQGSINKD-VBKZILBWSA-N 493.446 0.895 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840771550 DXBUXSWALQTBJU-IQGLISFBSA-N 498.536 0.987 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1840819601 VNTCETPNJPOZPX-DEOSSOPVSA-N 476.493 0.750 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820358 LPXNPXLFKMQUOC-MBSDFSHPSA-N 456.499 0.014 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840844058 BIDVOJGSUQZONU-UZUQRXQVSA-N 481.546 0.313 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1840907272 SQXSHOHYCWAJHF-HXOBKFHXSA-N 491.545 0.294 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)C(C)(C)O 1840916403 HFQDDBYJQNJQSY-VGSWGCGISA-N 468.551 0.411 30 20 JCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)c(Cl)c1 1841894697 FJLWQMJDWXYOAP-UHFFFAOYSA-N 450.948 0.759 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300711 XERZZQNZDSJAJC-HQAFNOEHSA-N 454.524 0.604 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846196950 GEJFJTMVVRQQBL-FRQCXROJSA-N 461.515 0.550 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1847070002 SKSLWHFAPTWXOP-INIZCTEOSA-N 480.525 0.823 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165143 WVRCMZVVRQXAKY-IKGGRYGDSA-N 460.491 0.910 30 20 JCED C=CCNC(=O)COC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 9066292 IEOTUDGEYHRTJQ-UHFFFAOYSA-N 496.542 0.678 30 20 JCED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 28688295 DLFDJBUQDASLBQ-KRWDZBQOSA-N 473.599 0.770 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OCCOC)cc3)c(=O)n2C2CC2)CC1 501160789 BEJXRUOVDWIPBF-UHFFFAOYSA-N 482.606 0.937 30 20 JCED COc1ccc(CCNC(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C2CC2)cc1OC 502044642 NXRKHPLFVBVHNJ-UHFFFAOYSA-N 479.562 0.857 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 512368901 RHGJNQBTAQHLHF-UHFFFAOYSA-N 463.494 0.429 30 20 JCED CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 514128972 QKZDQEPVWJDVJD-UHFFFAOYSA-N 497.581 0.177 30 20 JCED CN(CC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 523564989 WQKUVDPZQHOQBO-NRFANRHFSA-N 455.496 0.550 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 523745080 HXONNOLXYQHKQI-UHFFFAOYSA-N 487.534 0.045 30 20 JCED C[C@@]1(c2ccc(CNC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2)NC(=O)NC1=O 523930143 REMKQQHRLSWIHP-QHCPKHFHSA-N 496.549 0.829 30 20 JCED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1 608828329 OBLSFMBEPTVDIX-UHFFFAOYSA-N 488.569 0.977 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CN3)CC1 727527754 OCDWXZOUHUXGNZ-UHFFFAOYSA-N 483.506 0.612 30 20 JCED N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 729672649 ZZANXRWLYISJEO-UHFFFAOYSA-N 462.516 0.280 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 729673348 LAWQGIXHXUTKTJ-UHFFFAOYSA-N 476.576 0.859 30 20 JCED NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)C1 730972422 GFDXYQIIYXOQAK-SFHVURJKSA-N 469.567 0.739 30 20 JCED COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 821794440 CNVGNAUNXBHUNH-CQSZACIVSA-N 459.480 0.871 30 20 JCED CC(C)CN1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 914597404 MBXFQWAJQYQVNJ-SFHVURJKSA-N 476.555 0.439 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1ccc(S(=O)(=O)N2CCCC2)o1 915371785 PAKJPFBDJUCYSI-UHFFFAOYSA-N 453.498 0.846 30 20 JCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)C[C@H](C)O1 915778036 TZKJOLVRYHMAJN-HOTGVXAUSA-N 486.554 0.918 30 20 JCED CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 916714422 DPJTWXXFFONISR-MOHJPFBDSA-N 478.575 0.700 30 20 JCED Cc1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1 920268515 OBGKJVNOFYYMBY-ZDUSSCGKSA-N 451.530 0.618 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC1(O)CCOCC1 1288154761 NPBNXZHKXRONRB-UHFFFAOYSA-N 468.562 0.941 30 20 JCED CN(C)CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1314669245 YQAKDWHFIWZGFK-RBUKOAKNSA-N 474.587 0.898 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1315072177 MZWZKNMXGMPWBM-UHFFFAOYSA-N 461.548 0.337 30 20 JCED CN(C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1)S(C)(=O)=O 1324762711 GJFNNZDCKDRVFY-UHFFFAOYSA-N 468.601 0.841 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CCN(CCC#N)CC3)ccc2F)CC1 1454906896 KHPCYWQJHAZAPK-UHFFFAOYSA-N 451.524 0.350 30 20 JCED CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1501421264 MKYVWGHESDDCRZ-KRWDZBQOSA-N 472.575 0.252 30 20 JCED CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1OC 1555786852 MPNKYFVJWJCUCQ-YTQUADARSA-N 460.560 0.948 30 20 JCED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1618828101 XWISVRJJCVTQQC-UHFFFAOYSA-N 465.562 0.442 30 20 JCED CCNS(=O)(=O)c1cccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 1638749359 MSUQSYBDYHLYDE-UHFFFAOYSA-N 450.542 0.730 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCO[C@H]1C 1692346948 SUHFFXYCCYHPJD-BBTUJRGHSA-N 484.623 0.917 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CCO1 1741111932 TZIIQLGKQYNTDP-AONNBLCTSA-N 472.571 0.981 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCN(CC)CC2)CCOC1 1746735592 QYQHMHJFPMNCBX-TXTKFYIRSA-N 461.611 0.933 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(N2CCOCC2)CCSC1 1751215784 UZGONJJPSAIANS-SNRMKQJTSA-N 487.627 0.538 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1777963505 PSKRYBBEHRMOTK-HOOSLVGPSA-N 495.621 0.668 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1779136185 MPXIFKGSJYHSGT-UKKLRFBMSA-N 466.560 0.200 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC(C)=O)OC(C)=O)C1 1779400085 LYEIAMOTAMKQLK-TWSMVNEUSA-N 452.504 0.033 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C/N=C/c4ccco4)C3)CC2)CC1 1779445685 KUNRRGOGDBZJNO-VJPTWTESSA-N 471.602 0.992 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780202986 LTUFNRNPQKJWFZ-HSZRJFAPSA-N 483.529 0.404 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C)CC1)C2 1780738140 WVHQMZQSBAZFGV-AUSIDOKSSA-N 450.580 0.257 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CCc3nc(N)n[nH]3)C4)c2c1 1781204640 INJMXZRFOQAGOG-UZUQRXQVSA-N 477.529 0.895 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781298747 SIWHPOWQWUOCTA-CYFREDJKSA-N 490.532 0.955 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c(Cl)c1 1781967666 RNWMIURYUBHODK-SFHVURJKSA-N 456.823 0.380 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)OC)C1 1782398331 POXSBYTYFUGRIG-YGKZAACZSA-N 480.562 0.773 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782963073 VNROKDJJFDJZKT-YHFSLCLQSA-N 497.614 0.863 30 20 JCED O=C(COC(=O)C(F)(F)F)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784914789 FACAKZJNSLYRTO-CIUDSAMLSA-N 482.305 0.427 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785328169 LNYMBHITDUKSGE-YARXLOAZSA-N 464.588 0.927 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1788114602 FCDWFUGLZQBRGG-JWKLDCHBSA-N 476.574 0.691 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1788575060 BAONOAPOCSWQTK-SMLCLMEVSA-N 455.552 0.382 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1788638205 XKZGCDDZODUALH-CWBXHPNXSA-N 485.537 0.965 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788659312 XUZLQWAYZFKNFD-CEDAJAJYSA-N 453.540 0.203 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(F)c(C#N)c4)[C@H]3C2)CC1 1789906837 OLAXJBACISDSJH-RRPUWOKSSA-N 485.560 0.384 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCNC5=O)C[C@@H]32)c1 1790227687 QMZXVSYEUHMQCU-UVFQYZLESA-N 466.473 0.544 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(CO)on5)C[C@@H]43)c2c1 1790327597 WZUQZWWBKFMBLA-AXHNFQJDSA-N 450.455 0.822 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791689282 BCZFCYCOZAPYOO-LKBVBZQSSA-N 489.577 0.683 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)c1ccccc1 1793226066 APPGNSMQDNHONR-WPXDNGDRSA-N 454.527 0.207 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1797703735 COIIAQIOMHGBSJ-XSEPRYCASA-N 495.617 0.767 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)C2 1797703769 CREDJUOCMJBSOU-WEMPKCCASA-N 487.601 0.864 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1797812334 QRCIISBMJQHVBT-CWYBWMOVSA-N 470.482 0.554 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1)c1ccc(O)cc1 1798636664 YDTTZEHFSZVYRS-OVCNXMPXSA-N 450.495 0.876 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(Br)nc1 1799030450 UOGPOUWDTJEIIG-PFIYSYJPSA-N 477.359 0.835 30 20 JCED COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799642805 UUZVBPODANIJSB-ACHVPNTGSA-N 489.569 0.652 30 20 JCED CC(=O)Oc1cc(C)c(Br)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778039 UIMGPTLPTPOXSF-VTEUUUEMSA-N 493.310 0.974 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1800996827 XAMDCVIRJRUVCR-ICTSLHNCSA-N 457.593 0.814 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C2)NC(=O)OC(C)(C)C 1801932034 KCKWDTVKPNJEKC-UVNCQSPWSA-N 466.579 0.960 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1802084620 QUQGQIBCBYSKSE-NBMJBFSESA-N 463.531 0.446 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1810285386 QBFGMPODIVOYGO-XODNQNILSA-N 478.557 0.813 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)c2ccccc21 1812877604 NJHLTNOWAJTOFZ-GAJHUEQPSA-N 461.478 0.529 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817815667 PPMFWGFJBJYUCT-ZIAGYGMSSA-N 455.479 0.415 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1820949438 ZAFIRVQPKXZXRY-ZFWWWQNUSA-N 463.491 0.766 30 20 JCED C=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)[C@@H](N)CCC(N)=O)C3)C2)C1 1828487629 MIRWUPVLDVAPTM-LVXARBLLSA-N 497.596 0.998 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4CNC(=O)C4)CCN3C(=O)OCc3ccccc3)C2)CC1 1829310043 OYKPZZNSEIGCFK-UQBPGWFLSA-N 479.537 0.878 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829351261 JLXHFYWBJLDUAH-KSFYIVLOSA-N 459.524 0.845 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5ncccn45)C3)C2)cc1 1829903511 WXRRQFZUVCHWQZ-XMMPIXPASA-N 460.494 0.914 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831012534 DJZKWHCDPFPLNS-HXOBKFHXSA-N 496.561 0.364 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1831023243 KFNFGZHATSUMNI-HXOBKFHXSA-N 456.499 0.836 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1832452514 AFGPFJCQWICRRQ-QHCPKHFHSA-N 476.599 0.907 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCc4sccc4C3)CCO2)C1 1832586004 FKZDYZFSYFYKBK-MBSDFSHPSA-N 461.584 0.601 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c1 1833766404 OCJUEGJLLXXRQB-FQEVSTJZSA-N 466.542 0.650 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834326791 MFHANCFXHANTSF-UHFFFAOYSA-N 472.590 0.795 30 20 JCED O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccccc1 1834705473 LUECNOMURFIHEP-HNQIHDJFSA-N 459.499 0.855 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1835677132 IXSZFGNMBQQSKM-QHCPKHFHSA-N 458.515 0.767 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)N1CSCSC1 1835678033 VJJKIWXVFQFCBJ-DYESRHJHSA-N 485.676 0.768 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)ccc1F 1835705752 LAGKUUGBRPUCKR-ISKFKSNPSA-N 467.501 0.791 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837201933 NJZFIBAFOWYHND-REWPJTCUSA-N 474.514 0.012 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1837443641 NDNISNNVUJMXFY-NHMXVPMISA-N 473.530 0.395 30 20 JCED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486781 OXYMQYLIRZYNPL-XMMPIXPASA-N 458.559 0.806 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1837492293 DSBZCPFZWCRWHY-HSZRJFAPSA-N 462.543 0.485 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837531609 QVBYXZVETUIOPT-FPHRNUPISA-N 475.546 0.747 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1837564205 CJCLROCIAZANHZ-QCYAZGCDSA-N 482.493 0.890 30 20 JCED Cc1c(Br)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)nn1C 1838768513 KCNCTZKFRUFQEP-HXUWFJFHSA-N 465.348 0.974 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)CCO2 1839085552 JTDCRWJYEGLEAP-NWVWQQAFSA-N 477.558 0.635 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)C#N)C4)C3)C[C@H]1CO2 1839086136 WZBZQCOEIGKTRA-VWMXVWASSA-N 492.573 0.771 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)NC=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839165848 XKAZPIAZKIKGHR-IUKKYPGJSA-N 480.562 0.143 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839185835 NLZCKJXAEOQGEG-FDDCHVKYSA-N 492.577 0.594 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1839225837 VWHOIRMRTFQLET-XDHUDOTRSA-N 485.541 0.804 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839234361 IHNIHRMNTLWPME-VGOFRKELSA-N 478.550 0.204 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NCc1ccc(OC)cc1)CCO2 1839717552 FOWYKNUCPUADIP-VWLOTQADSA-N 471.554 0.961 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C1)C2 1839739332 YPZXPSUXTPJQOQ-DFBJGRDBSA-N 484.553 0.492 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2)C1 1839805339 JNBLOYOWDYCBMV-KBMIEXCESA-N 491.585 0.882 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccc1O)CCO2 1839908513 ISWNWGBLOPMLBP-ZZTJDXDDSA-N 461.515 0.920 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)CO2)C1 1840009097 WYDKWUZXPMGXQE-SBUREZEXSA-N 478.546 0.382 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840017023 MFNARXSKVBKHIJ-PBXQCXKZSA-N 495.580 0.635 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043495 BOKZGLDTUKLLGV-NLFFAJNJSA-N 499.520 0.402 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1840158071 DQNSAAKWAJGXOT-KKSFZXQISA-N 450.561 0.307 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840174713 UDULVFHJBIHNHV-DRSNIGMVSA-N 453.536 0.247 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)CCO2)C1 1840289941 QYPOTLLWVPRZGG-NXMSCROESA-N 495.573 0.960 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(C(=O)OC)cc3)CCO2)C1 1840957720 QKGIKDQZBVOFBI-UUOWRZLLSA-N 474.510 0.347 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)COCCO)C3)CC1 1845137567 KNHBQQTWNMFWPC-UHFFFAOYSA-N 450.536 0.740 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1846282186 VNRUGETZFJFOTK-IBGZPJMESA-N 494.556 0.884 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C(=O)C(=O)O 1847942720 VEEVLAMUCYLUMI-KKUMJFAQSA-N 452.508 0.201 30 20 JCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc(C#N)c1 19165552 ZPEICJRWDVPEJO-SFHVURJKSA-N 479.536 0.822 30 20 JCED Cn1cc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 25251285 WPBMMLCCAHEJKB-XOBNHNQQSA-N 489.532 0.033 30 20 JCED Cc1cc(CN2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)no1 105036479 VXDCILQFKUDLKH-UHFFFAOYSA-N 472.571 0.505 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC2)C[C@H](C)O1 514467941 SUFMGPFUWBEWSM-KBPBESRZSA-N 469.951 0.648 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)c(OC)c1 516832329 OABSWVSVBYCNML-UHFFFAOYSA-N 468.579 0.975 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)c(C)cc2C)c1=O 590897377 OZRPYVRDVIYYGO-UHFFFAOYSA-N 466.607 0.973 30 20 JCED Cc1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1S(=O)(=O)NCC#N 608868438 ULDSIYRUVAUEAW-UHFFFAOYSA-N 469.567 0.871 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2OC)c(=O)n1CC(N)=O 608910668 CBRZTFFBMQZWJO-UHFFFAOYSA-N 499.376 0.366 30 20 JCED C#Cc1cccc(NC(=O)CN(C)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c1 727091706 LABBSMXOYCKHEJ-UHFFFAOYSA-N 457.288 0.971 30 20 JCED Cn1[nH]c(Br)c2c(=NCCNC(=O)C(=O)Nc3ccc(F)c(C#N)c3)ncnc1-2 729884044 GUCJJMNQHCOIMS-UHFFFAOYSA-N 461.255 0.677 30 20 JCED COCCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1C 839377215 RNHXGPZRBBBHCV-UHFFFAOYSA-N 499.637 0.261 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 917272465 VXJRYCSIZDIVMV-IBGZPJMESA-N 491.591 0.985 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1295490979 LJFYQTXRZSXWET-VWLOTQADSA-N 497.600 0.871 30 20 JCED CS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1505147454 UUHWKWYXUGKHLW-QGZVFWFLSA-N 472.575 0.367 30 20 JCED CS(=O)(=O)NCCn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1505151217 COXZGPDFMTYAKE-SFHVURJKSA-N 459.576 0.625 30 20 JCED Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1554352708 XDMHUEKSSLIJLT-MRXNPFEDSA-N 455.548 0.759 30 20 JCED CNC(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1554488925 WVIXIHBGSFWOCL-FQEVSTJZSA-N 452.563 0.508 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCOC1 1692812785 QVNALFZEFDAISL-HTAPYJJXSA-N 489.602 0.234 30 20 JCED CNS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1697021229 RYBDVGZDKLJKFG-GOSISDBHSA-N 469.930 0.853 30 20 JCED CS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1731009549 LQYYZCMLGRDFIN-KRWDZBQOSA-N 478.600 0.423 30 20 JCED CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)NC 1767634950 QPMXQJUAUACGOE-HNNXBMFYSA-N 450.521 0.534 30 20 JCED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1769059675 JBPDWXJNRYKORB-HSZRJFAPSA-N 452.563 0.094 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777890969 TXWMYLTXNOYYCP-DEOSSOPVSA-N 468.510 0.886 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1779016424 USIXGVUHEBDABI-MSIOFZDNSA-N 470.574 0.833 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c1 1780060014 IBWFZNIQZDHYQB-HSZRJFAPSA-N 462.441 0.858 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)CCO3)c1 1780173680 AQIPFDCJJGGYTL-SRMJIJMDSA-N 471.539 0.813 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781350123 WKPRNMHMXKBHCI-JLHGSKIFSA-N 455.552 0.683 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782010175 GLQHUZKKJWIQIV-QZTZHPFYSA-N 493.557 0.614 30 20 JCED CC(C)OC(=O)c1ncccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010956 MJLAGMVTDNENAB-UZUQRXQVSA-N 457.483 0.862 30 20 JCED O=C(CSc1nc[nH]n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c1cccc(S(=O)(=O)N3CCOCC3)c1)CCO2 1783912451 KRGOPDSYYQNYBJ-DEOSSOPVSA-N 489.594 0.955 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)cc1C#N 1785197478 KJMAHGKZZIJKJL-XMMPIXPASA-N 466.494 0.714 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1785307905 QJLRJUWGEINETO-KHCICDEESA-N 496.605 0.827 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1785575177 ZLYBLQDFHLAMAG-RCDICMHDSA-N 475.502 0.248 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3CS(C)(=O)=O)[C@H]2C1 1785680394 SBESNPHQICQXHF-ULPAQXSLSA-N 490.582 0.078 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788661183 FHQXTCLAAUEOSE-LIRWBVIASA-N 452.552 0.800 30 20 JCED C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1789839842 NVYCYTLZQOPSLV-OWSLCNJRSA-N 464.563 0.888 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791683282 VLUYTUHWSDHLSR-ATIWLJMLSA-N 477.566 0.683 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1792257718 KLRUYIQWAQCYJH-ATIWLJMLSA-N 462.547 0.161 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1C)OCCO3)C2 1792488720 OOAREDPTSXBCCI-OIQBNGKOSA-N 455.511 0.828 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C(=O)OCC)CC1)C2 1792491472 XXGWVZXPGLYAOI-TVQDXGFJSA-N 462.547 0.303 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1793089146 JSKOFFKRSZQOAP-BVRUVYRISA-N 479.574 0.728 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCc2sccc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c1cnc[nH]1)C2 1802125572 ZUVNPMCOLIKECT-YNVMFWSZSA-N 459.547 0.849 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[n+]([O-])cc1)C2 1802125648 MHCVSWWDFROYAE-RDGPPVDQSA-N 458.515 0.440 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1802140937 ZCMSRDNSTNVQMG-PZPPHJHLSA-N 453.536 0.054 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1804194305 LHUFTLVVZKTUDM-RCZVLFRGSA-N 480.590 0.870 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2c2cccnc2)ccc1F 1807192801 CGQJANIPHTXAQI-DHJUGAMNSA-N 466.517 0.934 30 20 JCED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807943754 IACVJHNDSRWPOT-OXQOHEQNSA-N 466.502 0.510 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2 1819462776 AQJNFTPTZOJMCK-NHYWBVRUSA-N 452.537 0.401 30 20 JCED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC3)cc1 1822160739 OAXWKCIMPHOJTI-INIZCTEOSA-N 473.580 0.971 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CNC2=O)CC3)c(C#N)c1 1822804707 FRKCLABUKGGGOA-CQSZACIVSA-N 482.522 0.730 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1 1824927452 FQKQMXQVBPBSGC-IUODEOHRSA-N 453.590 0.914 30 20 JCED C=C(C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2)C(F)(F)F 1825260881 JOMYFWFFZKIALM-NSHDSACASA-N 466.507 0.904 30 20 JCED COCCOCCOCCOCCC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671059 XCCVZDOIDCHJLN-OAHLLOKOSA-N 483.543 0.229 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCN2C(=O)OCc1ccccc1 1829124294 NZSKXBJWMBTPCO-MHECFPHRSA-N 469.542 0.779 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1830038398 GKZULUWFUOIOFG-HSZRJFAPSA-N 457.531 0.218 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831318248 FZAGOZCCPRNHIG-WZONZLPQSA-N 492.598 0.275 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831330847 WJUNIZQEFVJTAA-VGOFRKELSA-N 478.571 0.265 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)C#CC(=O)O)CC2)C1 1831673951 ZRKNHKUHMCAASU-QRVBRYPASA-N 477.558 0.922 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831863661 STETVVYINHJBMR-SBUREZEXSA-N 475.546 0.705 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1831999504 ZUQSLSPUUYWRKF-SBUREZEXSA-N 497.593 0.183 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832872433 BBUKKTQSYWTXPH-NQIIRXRSSA-N 452.577 0.545 30 20 JCED CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1C(=O)O 1833606737 SPNBELXCVJUBCJ-QHCPKHFHSA-N 490.561 0.514 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833614508 DNHWECZWKVQEIP-OTUOEDBFSA-N 497.552 0.700 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)Cn5cnnn5)CC4)CC3)c2c1 1834876763 LCSARGBJEDXKBG-UHFFFAOYSA-N 462.518 0.306 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834974030 MLNXRGAYAHZNEO-UHFFFAOYSA-N 470.578 0.990 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)CC1 1835349743 UUFCNVWHXXFXTJ-DEOSSOPVSA-N 491.589 0.299 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835356698 HELQFXAQHMLKJZ-BSRJHKFKSA-N 480.562 0.364 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C1)C2 1835362883 WEBUKZOAPPCKHT-SBUREZEXSA-N 473.530 0.382 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)n1ccnn1 1835768303 XRQILBUMEADFJR-IAPDLASISA-N 461.567 0.940 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)CCN4C(=O)C=CC4=O)CC3)CC2)c1 1836168613 FPWRDGSPBWCFED-UHFFFAOYSA-N 452.515 0.387 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)NC(=O)OC(C)(C)C 1836213743 PWMWMHCRTRLSCM-WZONZLPQSA-N 492.577 0.594 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347102 AXMCVSSKKCMVMY-QVKFZJNVSA-N 464.523 0.344 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1836472757 XKVHFLOJKDLNBU-HRAATJIYSA-N 473.592 0.248 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1837006005 SLEFMOJHJBHNFM-HSZRJFAPSA-N 454.531 0.915 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837150368 PNEVHLOCOSVXHE-DVECYGJZSA-N 457.527 0.573 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837397404 QHNNSFVOJJJWRG-HRAATJIYSA-N 450.561 0.598 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1837443497 CNNJVEVILVUKJT-CVROGOTKSA-N 489.964 0.924 30 20 JCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n(C)n1 1838043259 ITUATVPAXGRBND-JPHKLTHBSA-N 463.535 0.582 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838110730 DZVGZDSZPYTKGN-OYHNWAKOSA-N 478.502 0.367 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(C#N)c[nH]4)CC3)CC2)CC1 1838300276 DLSBVACACBLMNF-UHFFFAOYSA-N 470.574 0.663 30 20 JCED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)ccc1F 1838620276 BATRMVFDAPOALT-AVRDEDQJSA-N 458.534 0.961 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)C3)C2)c1 1838905575 NIHYFFNLKGYRHO-BVZFJXPGSA-N 493.520 0.635 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)cc1 1838951540 VDRLJRPTBLRWEL-IBGZPJMESA-N 455.389 0.734 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1839175146 RMMXGNOSGCCESA-JOCHJYFZSA-N 483.468 0.823 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1839223952 CACNZHBTNUJIDV-XZOYJPPVSA-N 458.559 0.958 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)cc1 1839362008 SSDPXNGEZUSWOM-DHLKQENFSA-N 463.538 0.788 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(N)=O)C3)C2)cc(C(F)(F)F)c1 1839443890 ZWODQJJFVJKIGG-IBGZPJMESA-N 469.420 0.315 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1ccnc1 1839485938 DPCSWUMEUJILPF-QMHKHESXSA-N 463.498 0.962 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(c4ccc(F)cn4)CC3)CCO2)C1 1839723895 WYXKWYMGOKPWAH-DFBJGRDBSA-N 488.560 0.932 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839856661 CTJCLMAZEMEVLD-VGOFRKELSA-N 468.551 0.048 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839988122 XHHGNOVOUMQYRZ-KSFYIVLOSA-N 455.552 0.541 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccc3C(F)(F)F)C2)C1 1840040903 DSGDXGZVPZVGNK-FQEVSTJZSA-N 469.416 0.577 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1)c1ccc(O)cc1 1840221936 VHLVYHIKVUJGMK-DVECYGJZSA-N 457.527 0.434 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840840629 GOBMFAKTPPBEAP-VGOFRKELSA-N 453.536 0.132 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1840845127 IPRHFZBDJJLFOL-JPYJTQIMSA-N 467.563 0.520 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840907297 SZXMPVQMJXLXDC-KOSHJBKYSA-N 489.525 0.626 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840908581 OHJIEIMBGAHCLU-OPAMFIHVSA-N 499.586 0.177 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843131296 QZVGYKDLQUJIAS-HNNXBMFYSA-N 491.570 0.572 30 20 JCED CN1CCN(CC(=O)N2CCCC23CN(C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C3)CC1 1843915333 IICPMIMEEXEKKY-UHFFFAOYSA-N 488.633 0.978 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1846330623 JUQDNPLVTSXQBH-OAHLLOKOSA-N 468.576 0.822 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccc(C#N)c2)n(C)c1=O 1847468490 PVQVBUUXNRVZFH-OALUTQOASA-N 489.536 0.140 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 10265320 BHYPGRHCXKIYQD-UHFFFAOYSA-N 493.542 0.082 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)c1 11352087 LUPXBRHXLJKMOD-INIZCTEOSA-N 494.551 0.258 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)cc1 516421715 RXNHRMOIKWJSMJ-QGZVFWFLSA-N 479.603 0.491 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2cccc(OC)c2)cc1 520894513 YUVISCXCFAWJAM-UHFFFAOYSA-N 474.539 0.986 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 522277087 GIGXDASHRMRSCK-UHFFFAOYSA-N 475.592 0.475 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 523477909 KRMTYFADHRNTBC-UHFFFAOYSA-N 459.524 0.711 30 20 JCED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)cc1 589157509 ZOOONPMFNGECRB-UHFFFAOYSA-N 485.518 0.324 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(N)=O 608912018 ZQSBUGRKQYTYBX-UHFFFAOYSA-N 478.530 0.944 30 20 JCED CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609159576 SHYLXIYEQNQFFK-FQEVSTJZSA-N 480.554 0.679 30 20 JCED C[C@@H](c1cccs1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 726583978 LARCIEKYDGQCMB-INIZCTEOSA-N 498.634 0.266 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Br)CC1 728589670 KFYMUDVLAIBOMU-UHFFFAOYSA-N 460.350 0.522 30 20 JCED CS(=O)(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 729540243 ZDSRHGYAUWBVGZ-UHFFFAOYSA-N 451.482 0.422 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CCS(C)(=O)=O)c2=O)cn1 729672020 ZNSUCMPBEHPFPT-UHFFFAOYSA-N 460.512 0.213 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)N(C)C(C)(C)C#N)cc1 748174797 COBIFZOZCUYRJN-UHFFFAOYSA-N 452.533 0.751 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCC(=O)N3CC(=O)Nc4ccccc43)CC2)o1 915376706 GNNZUOXTUHJTDA-UHFFFAOYSA-N 480.481 0.812 30 20 JCED COCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915384573 YZHLSMPZAJCRQU-UHFFFAOYSA-N 491.526 0.285 30 20 JCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)cc1OCC 921044444 FIIYGNMAZZYJAJ-UHFFFAOYSA-N 487.578 0.715 30 20 JCED CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1710907335 YZHFEAPJPXTYNF-YTTGMZPUSA-N 461.596 0.425 30 20 JCED COCCN1C[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1712469021 LBJHOPQGZFFDPO-RZQQEMMASA-N 467.596 0.513 30 20 JCED Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)n1 1748038610 LPAOXGFVUGQKLS-MRXNPFEDSA-N 455.548 0.759 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1cnn(C)c1 1761498936 KKFJEHPRGMRALF-KRWDZBQOSA-N 483.602 0.864 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](O)N3CCOCC3)C2)c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c3ccccc3)C[C@@H]21 1784483116 KJTODLDUMUNGOQ-RMCGQVEASA-N 469.582 0.640 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1786847730 BHJTXEWKHMORIV-BMFAXAFESA-N 474.562 0.722 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)c1 1786976630 AHDJCJVXYGCXTK-FNHZYXHNSA-N 477.481 0.205 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C[C@@H]32)no1 1788672171 WRBURTURKTVWJR-KNBMTAEXSA-N 491.508 0.754 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1789912489 UCKWCRAGCYAUGO-HAGHYFMRSA-N 486.573 0.320 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NNC(=O)C4)C[C@@H]32)ccc1Br 1790197444 KRRIZSRHNUZAMK-JDFRZJQESA-N 474.315 0.790 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1)NC(=O)OC(C)(C)C 1790862131 UJSZBBMEONFHFJ-PJVZLEMVSA-N 478.590 0.962 30 20 JCED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)c1 1792936789 VZKHITNOCPTSQG-WKCHPHFGSA-N 458.584 0.859 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C 1792995035 XJNWWDWTAVTSCE-CQUHNZAHSA-N 488.585 0.832 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2 1793349885 PWNVZJWVEAVFIM-LANYJBNVSA-N 499.564 0.386 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1)c1ccccc1 1793837370 ORQQBUASOWTWGL-KHUIQGCPSA-N 487.622 0.504 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795080301 ZMDDXQWGEYHISW-VRJGGCKTSA-N 450.536 0.498 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795409694 MXCOWBSBJKYTJQ-KRVVFRQQSA-N 482.603 0.542 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420785 GNANSYCBXNMBJB-HIRMHNASSA-N 460.535 0.739 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599777 JTMNAFCZFHBSTG-SFNKJDCFSA-N 481.594 0.134 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(S(C)(=O)=O)ccc1F)C2 1795600084 RUKQTDPUBVIPNJ-CCWDJLKJSA-N 480.562 0.714 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C2CCN(C(C)=O)CC2)CC1 1797280425 AQTLULXXZLBIQI-UWSZBUKDSA-N 488.629 0.337 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)[C@@H](O)C1 1797309424 ADAZFLUBEXGFHK-UDMSYCLOSA-N 476.574 0.888 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)c3ccccc3OC)C1)C2 1797704652 USOVBYHOFRPEHZ-UDKICSLYSA-N 485.581 0.930 30 20 JCED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1)c1cc2n(n1)CCCNC2=O 1798495078 CWWCVYLILJPEPV-OPURECRCSA-N 458.519 0.797 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)[n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n1ccnn1)C2)NC(=O)OC(C)(C)C 1801931249 XJPGAAUVOKTOQB-AXVVYFOYSA-N 462.551 0.727 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnccn1)C2 1802126606 LWVSPTHAYPDEIX-NZGUISNBSA-N 471.558 0.915 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)cnc2s1 1812877649 OGPZTEZSVUCQSK-DNVCBOLYSA-N 465.491 0.867 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1)C(C)(C)O 1812882780 RDTNVMBRJDJDAF-NSISKUIASA-N 488.541 0.840 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC3)CC1 1818896797 FYGHRHAVNLAITI-OAHLLOKOSA-N 455.544 0.733 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)NC(=O)OCC)[nH]n1 1820895946 RGSSPNZTDIEUNB-KSSFIOAISA-N 451.480 0.976 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2C(=O)OCCO)[nH]n1 1822201292 XWZBQKCVUCGBDX-KRWDZBQOSA-N 454.439 0.953 30 20 JCED Cn1nncc1C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828804159 FQMSHQHAKDMSCC-JOCHJYFZSA-N 451.487 0.794 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1828883046 VZCSXUZVHIUYQZ-WOJBJXKFSA-N 469.648 0.910 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829045201 WRRWPBQEVYCRKA-YYDVJCTNSA-N 477.631 0.679 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1829460618 UPDCKBIKPHGPLB-VWLOTQADSA-N 495.536 0.404 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)[C@H](O)C1 1829691848 NXPCBOVYJYWACM-WZOHSFFVSA-N 491.585 0.474 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4occc34)C2)C1 1829765303 SYHMFRSKKDDTRY-XXGSHBOYSA-N 454.483 0.756 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1829770038 CIAVOMLERBILFE-PHWUDJAYSA-N 455.511 0.305 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1829771514 UBRUSFLQZGIAGS-SJOJWXDJSA-N 498.580 0.452 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064270 IARNTCJVCVAFAD-DPSWKAHMSA-N 494.589 0.753 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1830640715 GLGWVRQEKKIYGQ-OFNKIYASSA-N 466.531 0.706 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cnc2s1 1831213339 MFKUMTBCAJPTQX-QFIPXVFZSA-N 456.524 0.548 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)nc(OC)c3)C2)C1 1831397283 WRLJDSAGAZOWRG-BTYIYWSLSA-N 451.907 0.852 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1831397547 SDGUCARWBHSOAM-VGOFRKELSA-N 453.536 0.394 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1831434096 QVAVFOQLJBPTHT-JLHGSKIFSA-N 455.552 0.947 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1831438659 URRQNPKYKXOVLE-CJAUYULYSA-N 483.521 0.777 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnn4c3OCCC4)CC2)CC1 1833075468 PIFBVUUQIOGSBW-PLNGDYQASA-N 470.574 0.709 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3C(F)(F)F)CCO2)C1 1833325041 ZOJZEGNIFMKDRP-LIRRHRJNSA-N 458.437 0.547 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(NC(C)=O)n3)CCO2)C1 1833334188 DGHVIJUFDPXWSN-WZONZLPQSA-N 460.531 0.683 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CC(N)=O)CC2)CC1 1833522729 AZVCCDQEGOZEJG-XLIONFOSSA-N 491.633 0.986 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833614411 FMIGLTILUAZCAQ-XMMPIXPASA-N 454.527 0.402 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1 1834602715 XMDWBHKFRQRDCA-UHFFFAOYSA-N 475.567 0.292 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCCCC1)CCO2 1835134573 LJOFBKQXFDBFDR-KEBYFXCJSA-N 466.579 0.848 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1835682942 ZAEGQAVJGKQMNZ-QHCPKHFHSA-N 454.531 0.686 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC2CCN(C3CCN(C(=O)C(O)O)CC3)CC2)CC1 1836388426 SSFMYMSKLDJTFH-UHFFFAOYSA-N 493.605 0.410 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1836474085 RXGBWZQXAXSTSS-JTSKRJEESA-N 453.536 0.132 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837296878 LWHZQLKWOJGRQR-AOYPEHQESA-N 497.548 0.876 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C4\C(=O)Nc5ccccc54)CCO3)C2)c1 1837325468 SIZZACSQYISHEI-LZTPGYMKSA-N 461.478 0.992 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1837393642 XWDATSGUCHENMY-NXMSCROESA-N 499.605 0.292 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1837429053 QUNLLNQUFPEVJQ-QHCPKHFHSA-N 465.667 0.826 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1837529579 VRVAHNWVETUYFS-CJDPIKCHSA-N 471.514 0.933 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1837560068 ISDAOYUZFXUATC-MHRHTVJOSA-N 450.561 0.204 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1)c1ccccc1 1837613608 BLPWIOVPNMGWBD-XUZZJYLKSA-N 451.527 0.932 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c(C#N)c1 1839132392 FPQNAQJHKLOEMM-HSZRJFAPSA-N 483.481 0.081 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210094 DGNKHTFICCECCC-AUSJPIAWSA-N 461.581 0.037 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)c(NC(C)=O)c1)CCO2 1839402115 JDQXRTRCWGURKR-CNXHMKESSA-N 484.553 0.882 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2)C(=O)O 1839442884 GVBAVOIYBPNWTG-UTKZUKDTSA-N 498.458 0.710 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3I)C2)C1 1839809164 HFIDQJDAMJGWBY-GOSISDBHSA-N 499.261 0.903 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1839874349 CGTUUZGWBFAPPA-GGUMNFRJSA-N 494.589 0.438 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)[C@@H](F)C1 1840039861 IVSAELJZGRACNP-DGGJZMOXSA-N 497.520 0.126 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)COCCOCCOCCOC)CCO3)C2)C1 1840081907 OBTVDXLLVYGNAD-HSZRJFAPSA-N 470.563 0.105 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840172905 OWHOFCDCUNVVGU-PNLZDCPESA-N 453.536 0.389 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840252109 NNENIPANLUAQEJ-YTZAWJCFSA-N 494.589 0.520 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)N(C(=O)OC(C)(C)C)C1 1840609647 OPORXPJAGSFFKT-MMSOTJHASA-N 491.585 0.901 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1840819398 ICVJBFCNJDHSML-XMMPIXPASA-N 476.493 0.979 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1840843653 XHHLUPJCZNFGIO-AREMUKBSSA-N 495.576 0.951 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO3)C1 1840915319 PCIQRVGQASKQAC-GAJHUEQPSA-N 480.562 0.178 30 20 JCED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 1841984206 UDJPKOKIQBKDQV-UHFFFAOYSA-N 456.547 0.630 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842884881 ZFAOUTYQZRUSPI-SFHVURJKSA-N 483.573 0.681 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=O)c1cccnc1)C2 1847070920 YZJPMMPRMXKKQI-SFHVURJKSA-N 469.542 0.931 30 20 JCED O=C(COc1ccccc1)NCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 8625797 HNGYUTQQGQJIOA-UHFFFAOYSA-N 488.522 0.834 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc(OC)c1OC 514327400 LEYAJRPAUUCJAK-UHFFFAOYSA-N 471.535 0.632 30 20 JCED C=CCc1cc(CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc(OC)c1OC 523308935 CTYPPZJFYHVIBU-UHFFFAOYSA-N 481.619 0.752 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCS(=O)(=O)N3CCCC3)CC2)cc1 603933714 KYAOSHBAVYHBET-UHFFFAOYSA-N 454.574 0.597 30 20 JCED C[C@H](c1ccccc1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccncc2)c1=O 604005524 XZCTYYMRHKJDDV-LJQANCHMSA-N 489.601 0.866 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(OC)nc3)c2=O)c1 608884306 DOCSNIVIGWJRDQ-UHFFFAOYSA-N 480.546 0.967 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)CC1 728572991 ICNVYHUFEMOSRQ-UHFFFAOYSA-N 451.527 0.539 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2CN2CCOCC2)c1 805698716 NHBAWSPDCREKMZ-UHFFFAOYSA-N 485.562 0.904 30 20 JCED C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 811679854 GTMXPYAAJZPVOC-RNODOKPDSA-N 450.517 0.407 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(F)c(S(N)(=O)=O)c3)CC2)o1 915462498 HAFLPICGDWBMNC-UHFFFAOYSA-N 451.436 0.147 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC 916922968 HNHRDUXALFGEFQ-MRXNPFEDSA-N 471.491 0.916 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc4c(c(C(=O)O)c3)OCCO4)CC2)cc1 919722178 DIHWZNJHBCKIQY-UHFFFAOYSA-N 493.519 0.723 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 1298327723 YHFFTDJOELPTKH-RTBURBONSA-N 476.559 0.534 30 20 JCED COc1ccccc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1300590226 YWXHTQCIPKZADL-MJGOQNOKSA-N 476.559 0.591 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1541928172 XEURSYRRKOGCOJ-OLPIVMHESA-N 497.576 0.676 30 20 JCED CC[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1552428421 IDSHMIFIOMHEQX-MYGHRHJXSA-N 477.616 0.542 30 20 JCED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1554317053 WQFJSDMUPIKSDJ-QGZVFWFLSA-N 466.589 0.722 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)CCOC)CCO1 1554452441 XMSPTPXKKLPYQL-AVRDEDQJSA-N 458.519 0.467 30 20 JCED CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C)(C#N)CC1 1554505602 SOCZGVOJYNDUQT-UHFFFAOYSA-N 470.559 0.871 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1596783323 PAKVTCXSPZFAEU-HZPDHXFCSA-N 462.580 0.764 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1695603428 RIKZEAZMVMILCG-RUZDIDTESA-N 497.600 0.871 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705747978 YVGSFPVIEAMTOH-INIZCTEOSA-N 474.031 0.775 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CCCO 1711049775 WNNOOHBVOLWAAW-NRFANRHFSA-N 467.574 0.959 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1740823148 YLSSBZPYIBEEDV-VKJFTORMSA-N 461.972 0.748 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCOCC2)CC1 1761363082 KLPOPIAVCABMOK-SJORKVTESA-N 467.596 0.214 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)c1n[nH]c2c1CS(=O)(=O)C2 1777715995 GBDLVPUCSCKANV-RNVZNFDCSA-N 492.602 0.437 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)C1 1778077689 KUGJZWOTGUCDKH-XFPUZKTBSA-N 452.577 0.894 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779180493 PKJDQMYKKGAJRC-RPEOIWTPSA-N 454.487 0.137 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781115242 SALQCBQRUBJBPY-KOAQGZTJSA-N 481.590 0.617 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C3)c1 1781150029 WBGRNXBAEDEMRT-WIYYLYMNSA-N 464.459 0.719 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)CCO3)c(C#N)c1 1781172399 OMLDOOZFTMDKBD-OTURYTIQSA-N 485.566 0.742 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781969774 MQWGBXJXEQNNHK-JLTOFOAXSA-N 468.963 0.983 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783164878 GCBWQQTUBPXNIU-XFAGBWLFSA-N 476.574 0.649 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)C2 1783269413 UALWUWMGPMVNFI-UTBIRPSLSA-N 494.589 0.480 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 1783528352 QJUBAEFLNICVPI-OTWYLLFQSA-N 456.499 0.975 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1)C(C)(C)S 1783780250 SWZQSGVSQIUJBQ-PXIJXODZSA-N 486.591 0.526 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(O)nc4O)C[C@@H]32)c1 1783912155 CILQJJHJFFLTQF-WDSOQIARSA-N 451.483 0.986 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1785596273 ONMFSECKZBCSTI-UZFJHSOTSA-N 495.646 0.770 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1788630155 OSVIUAIWEQXXIQ-IGGJEDBVSA-N 498.580 0.671 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1789848789 QRHJNXLUYFDLHH-NXOAAHMSSA-N 466.535 0.726 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077779 JUEDIOBHFSVQDX-FJIDUMEYSA-N 463.531 0.748 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792147383 PJNYERANMYNVBM-HYJFEMIMSA-N 457.531 0.624 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O 1793366643 QOOJDLQAUASGRP-UYTYNIKBSA-N 487.619 0.726 30 20 JCED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccn(Cc2ccc(F)cc2)c1=O 1794405691 JKMJBGHIIWIKCM-XEMDLRDOSA-N 453.474 0.938 30 20 JCED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1795362034 HCZTWIGRZRAYTH-XOIINTDNSA-N 459.446 0.825 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1)NC(=O)OC(C)(C)C 1797810777 ZMGUHLIVWWXBES-AKVSHQRBSA-N 496.605 0.086 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(F)(F)F)nn1C 1798187222 WPQGEHWZASIGRT-BBHUDJRVSA-N 455.437 0.501 30 20 JCED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)[C@@H]1SC(=N)NC1=O 1798495734 RTWXJLDQODPDOT-ZLQUDTIQSA-N 451.549 0.956 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)NC(=O)OC(C)(C)C)c1 1799684217 XTEXZSAUVTWHAA-AJYBTWMASA-N 458.515 0.913 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)ccc1Br 1799708737 XLENBSVLRGFVCF-YXPYIKCWSA-N 490.314 0.122 30 20 JCED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CNCP(=O)(O)O)C3)c(C#N)c1 1800031978 FKHUAHQZTKRREL-BJWYYQGGSA-N 450.432 0.472 30 20 JCED C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1800751350 PJBORAVIYSEEGD-NXOAAHMSSA-N 450.536 0.498 30 20 JCED C=C(Br)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1800898472 FCXRISJNBXAEFF-FQLMCAECSA-N 475.384 0.727 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801052325 KSTDZPLDHCDTDX-HVRFAWQISA-N 482.578 0.749 30 20 JCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1801164362 HUFJDTMONPTTMX-NHKMSHSESA-N 467.570 0.805 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(=O)OC)cc1C 1801906059 JIPRHMHQEMBKAX-SWFHQTGMSA-N 455.511 0.843 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1802158909 PWWSJGWHRZZRCD-URIBORFWSA-N 489.573 0.253 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCN2CCOC2=O)[C@@H]1c1cccnc1 1802480301 CAZHYJXESPQUSD-LHTVMBCQSA-N 455.515 0.788 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)[C@H]1c1cccnc1 1802487284 HCRMICCRESKMQQ-BITDBCEBSA-N 468.602 0.582 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1810248683 GWEGGYKKOTUOHX-FUPPJEDESA-N 471.602 0.825 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3ccc(C#N)cc23)[C@H]1c1cccnc1)C(=O)C(=O)O 1812072100 ZHJPJGBWXMXKHY-HRAATJIYSA-N 489.492 0.692 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)COCCOCCOCCOC)[C@H]1c1cccnc1 1812938612 FPWYFBRBJMYLFG-KIFXHHALSA-N 491.585 0.822 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819451116 LBXIXGXEHVAEMA-NKEMXSHPSA-N 461.479 0.483 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1819896531 QQHMRQOCLZBPRQ-POVPPWSFSA-N 487.542 0.838 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNC(N)=O)n[nH]1 1823542193 FCRYOAHWPLPMKE-UKRRQHHQSA-N 461.523 0.987 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1C(=O)Cc3ccccc3C1=O)CC2 1825661533 VUTJKRXTZONCGC-AWEZNQCLSA-N 480.502 0.758 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CC(=O)NC)CCN2C(=O)OCc1ccccc1 1828581291 YKSAVNLTRAHGPI-XMMPIXPASA-N 454.527 0.988 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN)C2)C1 1828988007 JNHVJJUMPFATLQ-XMMPIXPASA-N 470.574 0.679 30 20 JCED CCNC(=S)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829244696 ZISCVIXYXFFKPT-QHCPKHFHSA-N 486.598 0.836 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829335065 TVCBRNBTIFYBEI-AOMKIAJQSA-N 459.524 0.845 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)N(CC)CC)C2)C1 1829762778 RDQRBYWILIUHKE-JENHRLMUSA-N 450.580 0.422 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1829765993 DRBCNJHUCXRKRR-PAUWSZDUSA-N 498.580 0.452 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)c(C(=O)O)c(C)c3)C2)C1 1829771253 NJKZPTAOJKCFKK-UOUGDEPUSA-N 485.537 0.930 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1829783518 OCFSNPYHULDKAJ-CVDCTZTESA-N 468.547 0.930 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)c(O)n1 1830041265 IHVNEKRYAJXWBK-QHCPKHFHSA-N 475.546 0.247 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)c1 1830457584 BHLOQVAPMZBIEM-VWLOTQADSA-N 477.521 0.755 30 20 JCED CC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1830531847 RLWWUSZMSGVSQJ-MCFFVMPBSA-N 489.635 0.815 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831212937 DNYKMXXYOCQIID-RNHFSVANSA-N 491.585 0.474 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)C2)C1 1831402067 MTMLLUBAWSDPLV-CYFREDJKSA-N 492.594 0.517 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1831411514 SYKAGNONWDGIEE-SFHVURJKSA-N 461.441 0.876 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831573612 NOCPTONGVBKWPR-SAHWJRBASA-N 496.561 0.411 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1)c1ccccc1 1832022929 VJGIFXBRHFNKGL-WXVAWEFUSA-N 493.560 0.955 30 20 JCED C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C(F)(F)F 1832167843 XZCYZFRNUDWWLC-VQTJNVASSA-N 471.432 0.707 30 20 JCED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1)C(=O)O 1833106554 JBBKOVGMBIQNLJ-NRFANRHFSA-N 455.559 0.735 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)c(=O)[nH]c1C 1833386634 HKUUEMZCYGRAOQ-AWUSRGSFSA-N 486.550 0.957 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1833478124 NPNBOCCSVOHXQI-ROUUACIJSA-N 472.590 0.758 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833883047 JQHBGQCLPBIIAV-SBUREZEXSA-N 492.577 0.745 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)c1ccc(O)nn1 1834070264 QURULVQWNKNGJP-CPOKCXMASA-N 460.535 0.896 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338366 GHTHPSGRHOHUMF-SAHWJRBASA-N 480.562 0.675 30 20 JCED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)c2n1 1835677114 ITIAKRDMFUPPTR-XMMPIXPASA-N 483.573 0.698 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CC)NC)CCO2)C1 1835919450 UDRPNMAXWPJCRB-ADCHYERDSA-N 480.606 0.910 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1836376670 KSUINXOUBFRUMF-QFIPXVFZSA-N 475.678 0.911 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1837396310 FSJXUQRVGCEAIZ-CJFMBICVSA-N 488.585 0.561 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1837528188 AQVKLJFUNPJDBG-HLJFKENESA-N 471.514 0.933 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3I)CCO2)C1 1837963094 BQRPAYGASUBYDJ-QGZVFWFLSA-N 487.298 0.634 30 20 JCED Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)o1 1838005037 XKNUWTTUUJIMDP-MYRHLRDYSA-N 450.492 0.890 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)c1Cl 1838595900 ITKSNGAOWVIECM-OAQYLSRUSA-N 460.922 0.122 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907265 IKPBKKXERBIMEW-SBUREZEXSA-N 450.499 0.919 30 20 JCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1)C(F)(F)F 1839044448 GSBLRINICJAGJA-IBGZPJMESA-N 488.488 0.466 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN)C2)C1 1839130837 WUSUMDMDUZYEQR-HTAPYJJXSA-N 452.552 0.098 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C1)CCC2 1839583071 YMLKCLOQTGGOCP-RZZUAFPKSA-N 458.563 0.451 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1839647915 HCUMBKAYZOSGCY-CBFKJKJLSA-N 458.490 0.736 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1840346613 GERTUYLLJOJXQM-KDYRRFBVSA-N 477.562 0.875 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C(N)=O)cc2)CCO3)cc1 1840645627 FTAITPWDNNMNLL-VWLOTQADSA-N 462.506 0.970 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1840796173 YEFRUQZIXBMONN-HOOSLVGPSA-N 496.605 0.814 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCNC)C2)C1 1840909316 QSYIIYXFDOIIEL-WZONZLPQSA-N 466.579 0.359 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)CC1 1841892313 UUQSQKJBLZIHQJ-UHFFFAOYSA-N 488.545 0.282 30 20 JCED O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301136 WHKSMKHYCUCNGD-SZMVHAFZSA-N 479.497 0.917 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1=O 10851245 AAPMYDZHPHSOEW-UHFFFAOYSA-N 475.527 0.723 30 20 JCED CCCCn1c(N)c(N(CCOC)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(=O)[nH]c1=O 19682464 LGZRLGQHUOSPLX-UHFFFAOYSA-N 458.519 0.708 30 20 JCED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 518074175 AMVULBUKKLJHAO-UHFFFAOYSA-N 456.480 0.816 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC)n(C3CCN(C)CC3)c2=O)cc1OC 523735804 TXJWELAEYZSDHI-UHFFFAOYSA-N 486.594 0.841 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3ncccc3c2)c1=O 524282891 QMACTQQLMLSRKN-UHFFFAOYSA-N 497.602 0.133 30 20 JCED CN(C)S(=O)(=O)N1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 603594152 IWIPOVMCFKMDAJ-UHFFFAOYSA-N 462.532 0.973 30 20 JCED CS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 726105399 BBJOKJJTTAEKLD-BSBNDGSWSA-N 453.590 0.532 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1cccc(C(F)(F)F)c1 726575946 QZZVRMBGJBNNDI-UHFFFAOYSA-N 491.495 0.976 30 20 JCED C[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(CCC#N)c1ccc(F)cc1 857837982 ULXZQXGLTHUKSE-CQSZACIVSA-N 470.461 0.841 30 20 JCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)CC[C@H]1NC(=O)NC1=O)CCCC2 915377528 OFEJXQRHCGWYLQ-XJKSGUPXSA-N 457.487 0.887 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)sc(=Cc2ccccn2)c1=O 916200759 PCUFUZHPMXYJCF-UHFFFAOYSA-N 494.573 0.830 30 20 JCED CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1 918285310 GEBMODVKQBZLQI-FCDQGJHFSA-N 463.560 0.909 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 1359474117 NOTOOPPIJXDNKC-QZTJIDSGSA-N 482.655 0.233 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCOCC2)CCO1 1503773352 SNKNQIOZNBLRBF-LJQANCHMSA-N 453.547 0.879 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507784520 IYEPQQRUGQMIAQ-ZIAGYGMSSA-N 491.412 0.482 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1507854096 NAZIJPDTHMTYFV-DOTOQJQBSA-N 482.010 0.989 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1512713773 IMSLHQWNFUUIGX-YNFBMLRVSA-N 495.650 0.585 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1548322379 LBIVCBMLQLXLME-GOSISDBHSA-N 460.560 0.684 30 20 JCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCS(=O)(=O)Cc2ccccc2)CCO1 1555993426 OGMBXVBDRRFWNV-MOPGFXCFSA-N 493.611 0.914 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1617706338 SWUONUHOUWFRQP-LBPRGKRZSA-N 458.342 0.656 30 20 JCED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1693747259 LSQNDYFXDOYAQC-DOTOQJQBSA-N 458.544 0.830 30 20 JCED COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1697076805 MVJCKRDCBXRRKX-QGZVFWFLSA-N 473.559 0.987 30 20 JCED COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1711472865 XKEOXGXWSQEVGD-UHFFFAOYSA-N 466.546 0.869 30 20 JCED COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1712007800 OBRHIMVWHUJFHJ-UXHICEINSA-N 465.507 0.857 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1729344432 OGSDUTMFJKXPNP-CVEARBPZSA-N 483.595 0.970 30 20 JCED CNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729717247 XHVHDZBTYZACDP-QGZVFWFLSA-N 457.560 0.661 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CC#N)cc2)C1 1781011591 SZCWOXVAVDQSRC-QMHWCDLVSA-N 458.515 0.945 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1781189579 ZYUGNJUOERIZCV-QZTZHPFYSA-N 495.573 0.701 30 20 JCED COC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1 1781207398 SBFDDFCQFNIFMZ-VGOFRKELSA-N 454.487 0.918 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1782468900 QKPFTNYTZTVFDS-AUEMOGKKSA-N 484.557 0.683 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cnc4c(O)nc(NC(=O)C(C)C)nc43)C2)C1 1782886114 NUVWJDSXONHHJQ-XMMPIXPASA-N 497.556 0.760 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567539 RYAWNHZDSQAACR-YZQOHXRLSA-N 461.515 0.692 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1783768412 CKIMXJMJLBCXND-DGGJZMOXSA-N 464.563 0.907 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4cccc(C#N)c4)[C@H]3C2)c(=O)nc1O 1783918698 KOQQTILNGMZTNQ-ACRUOGEOSA-N 479.537 0.742 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)NC(=O)OC(C)(C)C 1785308336 GZFHTYJFDPUGDR-WAIKUNEKSA-N 496.561 0.219 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1785573123 QYQFZRWINUMHIF-JPYJTQIMSA-N 459.547 0.938 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)c(O)n1 1785774585 OEUUYHGYDNQSNX-SNRMKQJTSA-N 468.510 0.424 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)[C@H]1CC[C@H]2CCC(=O)N2C1 1789768822 KMSWNSCUQRGLTI-OWUFPNJSSA-N 476.574 0.896 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cccc([N+](=O)[O-])c4=O)[C@H]3C2)c1 1790654178 WLKPQLMYMJIBGG-LRQRDZAKSA-N 495.492 0.930 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCCS4(=O)=O)[C@H]3C2)c1 1790748788 BJRJSBRUZXAWRZ-KNTRFNDTSA-N 461.540 0.737 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C[C@@H]21 1791263927 SNIWKRKHPHGQLZ-DHMWGJHJSA-N 480.612 0.139 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)OC)C[C@@H]21 1792266834 VHMCABHUYZXLJQ-DAWKRRPCSA-N 480.562 0.792 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(c2cc(OC)ncn2)CC1 1793133871 AKLKQNKDWJZFKX-VQQMMKBISA-N 487.601 0.864 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1793310309 SQINJFLMELXKDB-KBMWQNTOSA-N 462.572 0.408 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1793602998 DUQVJRDYUBUQOK-XMTFNYHQSA-N 462.547 0.906 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795412376 CWXMNFMQTPICKL-JUKXBMAYSA-N 474.558 0.639 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1-c1cccc(=O)n1C 1795933308 MCJMIJOJGRJRRW-QSNWEANLSA-N 467.526 0.121 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)[C@H](O)C1 1797309420 ADAZFLUBEXGFHK-GIFQPEHOSA-N 476.574 0.888 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCC#C[Si](C)(C)C 1797729844 QQIQZEKGLYUUGI-FTEYMNFISA-N 471.696 0.955 30 20 JCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)cn2[nH]cnc(=O)c12 1797741159 IPSOTBQZSIFECE-GOBSBTPVSA-N 455.519 0.006 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)cc(C#N)c1)C2 1797790414 QTUJCVJPXCDRTA-WOZUAGRISA-N 457.483 0.565 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c(C#N)c1 1799237256 FBIRUHIBKHWLPM-HATOLVCRSA-N 453.543 0.981 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1799320753 PXKPDQBVXHEMEY-SFNKJDCFSA-N 481.594 0.707 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800779067 PXGKZBSBRWABCT-RPXQCPFCSA-N 461.515 0.311 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2)c1ccc(O)cc1 1801055023 BBCLTFVHEANXMR-XWQURZDVSA-N 462.568 0.914 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)nn1)C2 1802125551 HWPWFNITWDXEMT-YYAJDYIMSA-N 473.530 0.605 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1802938788 XOSFCLZWMGZTCB-UUOWRZLLSA-N 490.516 0.956 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1803563207 IZORTUUUMQMLGQ-QFUCXCTJSA-N 464.588 0.409 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807120350 QAQAASCYTSYOHX-WMZHIEFXSA-N 461.526 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2nc3ncccn3n2)[C@@H]1c1cccnc1 1809226520 MVQUYZQVBUUQNR-HTWXZYLJSA-N 460.498 0.697 30 20 JCED C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1)n1cnnn1 1813470949 OATQJQLEEMRDLS-XNMASVMWSA-N 456.507 0.864 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1815797094 FLGLOIAVNNKZLA-HOCLYGCPSA-N 498.544 0.440 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828804954 YHFQWNAMFREKQJ-SBUREZEXSA-N 455.515 0.864 30 20 JCED CC(C)(O)CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332732 WRMGXNZAMMLQDN-XMMPIXPASA-N 471.510 0.688 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)c(C)c3)C2)C1 1829762965 VDYUUKDHTDGLER-UTBBOMKLSA-N 471.554 0.861 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1829770461 RFZFDVNLECECOS-WNWNSBFKSA-N 480.525 0.196 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCOC[C@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)CCOC1 1830060193 JLGVTVCNFKYUOB-GOTSBHOMSA-N 480.562 0.676 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1830063353 PLZWHDUNIHZGMT-DEOSSOPVSA-N 466.494 0.736 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)CCO2 1830957245 FWSMTMQLHVNACH-XMMPIXPASA-N 471.558 0.571 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1831396255 IGHVJMKUKDYODN-HJPURHCSSA-N 456.499 0.387 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1831410563 BVVGOWNXEUPGHV-VWLOTQADSA-N 490.553 0.889 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1831493085 QAHZXXWMCPTFRY-GCJKJVERSA-N 489.635 0.939 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csnn3)CCO2)C1 1831756123 LZJLBZIUHXLQCY-BTYIYWSLSA-N 479.559 0.525 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831989918 BBZUWDVDDLWVOC-JPHKLTHBSA-N 469.535 0.704 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1831999333 TWPIEYVVEAFLDC-GAJHUEQPSA-N 465.547 0.891 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccnc1OC)CCO2 1832999627 XHPVTUDHJKSSPS-FFYIOULGSA-N 472.542 0.338 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccc(C)n4)CCO3)C2)c1 1833086990 JGHUVMQQANOMAF-QHCPKHFHSA-N 453.499 0.842 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](S)C(C)C)CC2)CC1 1833492346 IMGWZDKBRWDZTN-RTWAWAEBSA-N 478.663 0.983 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(C)cn2)CCO3)c(C#N)c1 1834084069 HHHGRKOEHRAZDA-DEOSSOPVSA-N 465.510 0.978 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cn1 1835096802 LRRFRHVLXRJZPE-XMMPIXPASA-N 450.495 0.997 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)ccc1Br 1835123963 KYWJPGHNNKCNJR-LAUBAEHRSA-N 491.342 0.669 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)c(C#N)c1 1835652678 RIHUSWCJVRWMJM-QFIPXVFZSA-N 475.571 0.583 30 20 JCED C[C@@H](Cc1ccncc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682211 BUZILELDSAFSCW-CYFREDJKSA-N 457.575 0.998 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835767565 DSEOHVZOJOBLDU-HRJSYZDASA-N 465.595 0.954 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1836034207 NPWCMDYHJUCJAI-XMMPIXPASA-N 459.518 0.918 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836971542 WVKGZBBAPYFGLN-KHLOOKIASA-N 477.518 0.265 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1837396159 CPDFLSOTPPECTC-AVRDEDQJSA-N 450.536 0.173 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1837397241 UONYMGJYCXNHCV-SBUREZEXSA-N 490.582 0.708 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1837399674 ZGHCAEXABZYWPB-OPAMFIHVSA-N 476.555 0.399 30 20 JCED CCN(CC)C[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445999 FAXDCMYEJZTSSW-QKVNLTODSA-N 451.612 0.892 30 20 JCED Cc1cccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837524941 JQCODSIYQJTGGR-GOPWYIOASA-N 460.531 0.918 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1837526102 BOWKEFKGBOFAID-PBRWIGKDSA-N 489.525 0.943 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838036630 DKJUIWRYGCSGCA-WTSMWHHMSA-N 471.461 0.877 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1838399887 GSODLQULZKIOMP-OAQYLSRUSA-N 474.514 0.993 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838578086 DMGUNWSNGAMYHR-REWPJTCUSA-N 458.515 0.552 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nccnc4OC)C3)C2)c1 1838580487 GFSHDDKLAVOKCU-HSZRJFAPSA-N 467.482 0.749 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838605153 QWPADNNXPIVSTC-QMHKHESXSA-N 471.514 0.961 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc5c4NC(=O)C5=O)C3)C2)c1 1838737507 WHKGHJRUIKDTOK-QHCPKHFHSA-N 463.450 0.405 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)nn1C 1838836058 OKOFGRZJZLSOLZ-QHCPKHFHSA-N 469.498 0.449 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)C2)cc1 1838949662 OCNJSFIJGXCOPS-GOSISDBHSA-N 473.379 0.983 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(OC)c3O)C2)C1 1839175463 LESOKXHMWJGEBX-XMMPIXPASA-N 492.525 0.989 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839175809 GYHXQIGWBBBKPI-XMMPIXPASA-N 471.510 0.903 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2C)CCO3)c(C#N)c1 1839215253 GOXXOCMVPZVUHE-RDPSFJRHSA-N 470.526 0.187 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1839223946 CACNZHBTNUJIDV-JLGINSKQSA-N 458.559 0.958 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839539213 FYXYHIIVMYPOLU-ALUBYUQESA-N 471.514 0.933 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2)c1ccc(O)cc1 1839881293 RXIVLNPSHNRTIT-NXQMDHLFSA-N 471.554 0.870 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1839882177 WBAFDNCYWMENFU-MZNJEOGPSA-N 472.542 0.940 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1839889596 DECKQXWAFJJAKB-IIBYNOLFSA-N 491.532 0.930 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2)C1 1840171101 OVMSXXWJAMBMPA-HXKMSDEXSA-N 487.619 0.681 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)CCO2)C1 1840757169 QSDKAZQNTPIOEB-ZHRRBRCNSA-N 461.471 0.712 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840813257 PTJGXLYSYQFBHE-NRFANRHFSA-N 462.528 0.249 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CC1 1840816676 HFPRVQRMSUCNNQ-JOCHJYFZSA-N 450.536 0.861 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1840819264 AEHJVUMNRFJHTA-VWLOTQADSA-N 494.504 0.873 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1840842330 BKUSKELPGZKXJW-RCZVLFRGSA-N 455.555 0.757 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C1)C2 1840916315 WUQXFKLNVLHYFV-ZBLHWPFVSA-N 491.541 0.319 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCN1C(=O)C=CC1=O)C2 1841745510 GNZHBKQOXSGPGE-MRXNPFEDSA-N 460.531 0.974 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197241 JOGNYKDOZONESC-KRWDZBQOSA-N 469.498 0.430 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cnnn1C)C2 1846365559 CCHDPHFTGNTHHV-HNNXBMFYSA-N 491.549 0.438 30 20 JCED C=CCn1nnnc1SCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 505903993 YGHZGVKXTJYOTP-UHFFFAOYSA-N 454.534 0.619 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)C1=O 510228651 NJOCLJPZONLMCK-UHFFFAOYSA-N 452.489 0.641 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3c2OCCO3)c1=O 603987396 JUSCLAUDJYWILS-UHFFFAOYSA-N 455.536 0.889 30 20 JCED N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O 608911993 YQFWZNROAKCUAU-UHFFFAOYSA-N 496.932 0.961 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cccc(F)c2)c1=O 608913066 QVNBKWWXOTZDQO-UHFFFAOYSA-N 486.550 0.740 30 20 JCED CC[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726404014 QBPGQTAETMWNKA-DQHURGGDSA-N 483.616 0.573 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)CC1 728536394 YWJURBVPTRTFJP-UHFFFAOYSA-N 498.561 0.766 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCS(C)(=O)=O 729671119 HYVAFAINUVRYIH-UHFFFAOYSA-N 487.962 0.013 30 20 JCED CCS(=O)(=O)N(C)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 731347899 WHGCPQALTGMWOW-UHFFFAOYSA-N 456.590 0.778 30 20 JCED C=CCn1c(S)nc2cc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)ccc2c1=O 750656891 ODBHJVCQZWPZGS-IRXDYDNUSA-N 464.569 0.099 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 769169553 GWHWBUBJJHSYAW-GOSISDBHSA-N 489.531 0.724 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 858007156 GJRFPZKJFNUNHD-YJBOKZPZSA-N 478.571 0.906 30 20 JCED C[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 878556473 IRRMEHXLSPFSLP-OAHLLOKOSA-N 464.544 0.485 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1Cc1ccccc1 917355769 BSDUUADWYZCYOM-UHFFFAOYSA-N 451.552 0.574 30 20 JCED CC(C)S(=O)(=O)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 919602647 DWQMACHIROPEMQ-UHFFFAOYSA-N 450.473 0.821 30 20 JCED C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)N1CCOCC1 1303701141 VBKRQRNVTPCFSV-SFHVURJKSA-N 453.547 0.832 30 20 JCED CS(=O)(=O)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1505130679 JMTGWQJZQUMTTJ-MRXNPFEDSA-N 474.609 0.176 30 20 JCED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1517029480 QJOSNRWKPQONHI-QGZVFWFLSA-N 482.588 0.243 30 20 JCED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)CC(=O)N1C 1544723213 KUSUMZFAJUXUGU-MRXNPFEDSA-N 489.627 0.862 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1547782705 TWHPNGNLTJRBIP-KLHJMIIUSA-N 460.560 0.875 30 20 JCED CN(C)C(=O)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1552694249 WJEZNJGTFGLDAQ-KRWDZBQOSA-N 467.596 0.609 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1593886984 VHRHQTNPTMPKFI-HNNXBMFYSA-N 497.043 0.129 30 20 JCED C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1611303891 SYLDOFJCNQDJFL-OAHLLOKOSA-N 450.503 0.789 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1COCCO1 1611709694 WFUHZRIKCXJHRB-XLIONFOSSA-N 489.602 0.498 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1627409709 XRAUPNUXQKFVQD-MRXNPFEDSA-N 452.533 0.979 30 20 JCED Cc1c(Br)c(C)n(NC(=O)CCNS(=O)(=O)c2cccnc2)c(=O)c1C#N 1650978903 KWEISJLLXHSAHV-UHFFFAOYSA-N 454.306 0.933 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1697007377 LCRIZWOZKKTYGB-UHFFFAOYSA-N 482.545 0.439 30 20 JCED CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1711221194 VUSSIXXPRLMXPM-LJQANCHMSA-N 473.603 0.867 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCC(F)F 1741674738 JBWIHQOFVDCBBY-UHFFFAOYSA-N 461.477 0.391 30 20 JCED CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)c1=O 1746360472 JNMBQSLHSYTZQA-AVRDEDQJSA-N 489.602 0.971 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 1749269099 MXOIOUZIEWCMML-LSDHHAIUSA-N 460.988 0.859 30 20 JCED N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(=O)NCC(F)(F)F)cc1 1750384223 QYTZPEWENDVDGE-CYBMUJFWSA-N 451.409 0.719 30 20 JCED Cc1noc(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1751961617 PFTUHBQQUKFHCA-CRAIPNDOSA-N 453.500 0.706 30 20 JCED CC[C@H](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1763458575 WINOMZTYBNECJA-LEAZDLGRSA-N 495.650 0.849 30 20 JCED CS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1771368776 RVZBNJJCSLQFPC-INIZCTEOSA-N 492.993 0.630 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1779102322 GVRNNSPPWXSGNM-CMEFWWCBSA-N 463.491 0.072 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1779277592 HQQVNIUNXTYFNE-QQMNAOGKSA-N 464.563 0.976 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3nn(C)c(C)c3Br)C2)C1 1780363498 GUUTVGRBJIKGPL-KKHYBRAUSA-N 480.363 0.793 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1780739521 JYQVRPUTCNMLJT-YOSAUDMPSA-N 489.573 0.480 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781379865 GSQSWOMPYMDKBP-NZQKXSOJSA-N 472.579 0.494 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1)C(C)C 1781387640 XRDDVEBBRNVLEE-ZJBJCVSYSA-N 463.535 0.102 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CN(CCO)CCO)CCO3)C2)cc(C(F)(F)F)c1 1782036517 YOJGJNIEJKQSSN-NRFANRHFSA-N 484.475 0.307 30 20 JCED Cn1nc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c2cc(Br)ccc21 1782532244 WWNKTKHRRYKPID-HXUWFJFHSA-N 475.299 0.867 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784004450 DTTBJIYOSTWOBW-MRSOPCEHSA-N 492.573 0.047 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1784785138 GUMVENGSZUNTEB-NXOAAHMSSA-N 491.593 0.769 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1787509950 SNGASQSQMUOOME-WGADNEIASA-N 460.512 0.065 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1788632220 MUPUWZQOJRRVBD-WFXMLNOXSA-N 483.569 0.309 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cc(=O)nc2cccnn12 1789200257 ZRORRYNMKFAGIR-BKARIBLOSA-N 484.513 0.212 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C[C@@H]21 1790793466 CFNXNTYDWQSWHX-UMGGQSCQSA-N 452.559 0.880 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)[C@H]2C1 1791194167 UDXOIYSCFKOKLK-FKSLSLAPSA-N 495.573 0.461 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)cc1C#N 1792057665 ZJJRLDPTJVJATA-WBKMXMRLSA-N 471.558 0.532 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4C(=O)C=CC4=O)cc3)[C@H]2C1 1792071137 VFRQTGVBAMEFGN-VMCVYSOCSA-N 492.532 0.568 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1792258165 VPPAAOOHIUEMOL-LLLHUVSDSA-N 489.529 0.398 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1792267977 OUMIYHMCWLQJRX-CKOFKNITSA-N 475.550 0.122 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792557071 CSMCJHCQCMTMST-JTJHWIPRSA-N 472.542 0.576 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)c1 1792828303 AMAVALDRQULEHW-NHKMSHSESA-N 450.495 0.396 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1792887528 IXKWXJKHIOLHBZ-QEOTZNIISA-N 455.552 0.035 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)C(=O)C1 1793262685 HGPJBXMPFQGCTO-OPMZPASUSA-N 474.558 0.069 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1793354628 FVXSOGZAKGXZBB-PZTGFMGMSA-N 455.511 0.853 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793374682 PRGPIGJHOIGOBS-AVEIZBFRSA-N 485.603 0.173 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)nc1 1794427444 HHVKFIXEMLGUDD-FAQVEIGNSA-N 484.534 0.639 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795468452 BHVRXNVWWUKLKL-JTJHWIPRSA-N 480.606 0.768 30 20 JCED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c([N+](=O)[O-])cc1O 1795599592 ZKQLTSLPZOSOIF-HBCWATKFSA-N 475.502 0.794 30 20 JCED C[C@@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CN(C(=O)OCc2ccccc2)C1 1797240268 MKJONNMDTVVYQJ-ISPHGWFKSA-N 497.548 0.959 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742074 CTIHSDCQNWUHKQ-BIOYHVBCSA-N 481.594 0.587 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798695860 PUSZVLVUYRYZMB-MVJTYMMSSA-N 489.529 0.546 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1799392615 BFAYDEVBGYYYOP-SCNOPHJPSA-N 472.502 0.683 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCOCCOCCOCCOC 1800205501 VYHWETDSTVSNMG-MXEMCNAFSA-N 454.564 0.749 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1803565721 ZBXSXSKPYKUOOT-ALKREAHSSA-N 451.487 0.723 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)[C@@H]2c2cccnc2)c(C#N)c1 1808179344 NDLJOBGEZKHVNO-HJBWUJCXSA-N 463.538 0.933 30 20 JCED O=C(Cn1ccncc1=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1812343228 SJRJEPJZEODKBC-LJSITOCPSA-N 451.531 0.816 30 20 JCED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1)[C@H](O)N1CCOCC1 1819446443 PWOVNXOWUPALOY-QTRBWKKISA-N 464.523 0.581 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CCNC(=S)NC)sc2C1 1819801216 GYXNXXISFGTLTN-DGMVEKRQSA-N 450.590 0.398 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)NC(=O)OC(C)(C)C)sc2C1 1823563827 KHHSSRZRBYLFOE-PSTGCABASA-N 452.533 0.937 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(CC#N)cc1)CC2)C(=O)C(=O)O 1824673198 BXIVNNZSNRWFSL-CQSZACIVSA-N 455.496 0.978 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnsn1)CCN2C(=O)OCc1ccccc1 1828649663 QDSLLMWUPYJLBS-JOCHJYFZSA-N 483.506 0.692 30 20 JCED Cc1c(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cnn1C 1828742789 JRDZYLBEDKPJMF-VWLOTQADSA-N 493.520 0.882 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630933 DOKXPLGOQRKUAP-NTKDMRAZSA-N 466.542 0.875 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1829763773 ABFALJCQFLRWFD-YJMIJIGASA-N 480.525 0.196 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccc(Cl)cc4n3)C2)C1 1829765997 DUUQBSALFFFPOZ-GYLQWBMOSA-N 487.944 0.916 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)c3ccccn3)C2)C1 1829773682 QCGBCSJBXQVBDZ-XXXZYALBSA-N 456.543 0.674 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2 1830302382 DNMCYTKFGWRTHR-SBUREZEXSA-N 483.562 0.865 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1 1830462256 AQZZLUWPHAMRCH-YKSBVNFPSA-N 454.527 0.473 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831223803 ZVQHBGVBPMJHDS-NTKDMRAZSA-N 459.543 0.773 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)CCO2 1832541942 APPNEUCAOCPGFO-VWLOTQADSA-N 467.522 0.933 30 20 JCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cncc(S(C)(=O)=O)c3)CC2)CC1 1833942779 XIRGEPXRNMPMPI-CQSZACIVSA-N 454.618 0.989 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(CC)n3)CCO2)C1 1834411459 SCQJAPQBOUFEQM-HOYKHHGWSA-N 489.573 0.890 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccn4c(O)nnc34)CC2)CC1 1835044276 XGVSTHGSCWFVAQ-MRXNPFEDSA-N 454.531 0.658 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835504096 IQXOKPMKEAAQDI-BTYIYWSLSA-N 485.607 0.539 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccc1[N+](=O)[O-] 1835679954 CBMGDTMJJNLWHU-QHCPKHFHSA-N 489.529 0.955 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@@H](NC)C(=O)O)CCO3)C2)c(O)n1 1835755463 ZKJPJITUURBYPB-JPYJTQIMSA-N 476.530 0.039 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)N4CCOCC4)CC3)CC2)c(C#N)c1 1835766388 HOBXBDUCVXXMCJ-SANMLTNESA-N 499.612 0.332 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835769509 VYDIYWAZUMACOG-PYNCTGKJSA-N 487.561 0.290 30 20 JCED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1835816520 MAEZNOJXPFQIFU-UHFFFAOYSA-N 452.640 0.837 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c(C(F)(F)F)n1 1836321712 CTUVQGIQFHLWMY-IBGZPJMESA-N 479.419 0.334 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1)c1cccs1 1836520600 NHBZQAHDNVZYOW-RTLBZRNLSA-N 489.472 0.622 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837116066 RGEOQZREABTUTR-IAGOWNOFSA-N 450.536 0.156 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1837492132 BJEYNRPAXKDZOV-HOFKKMOUSA-N 494.592 0.908 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837701654 VIJLPPPRGNRVGS-IVZQSRNASA-N 460.918 0.972 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(OC)n(C)n4)C3)C2)c1 1838582263 IDPBWJRJNYSAQD-QHCPKHFHSA-N 469.498 0.693 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)n1 1838737866 BVTISWKNWWJAML-HSZRJFAPSA-N 468.514 0.257 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1838953115 SBLIEJBSHZTWLU-CYFREDJKSA-N 455.559 0.264 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1839173640 CWBBSIFHARMJMT-RUZDIDTESA-N 498.536 0.582 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1839176331 IGCNEPRVXRGUSR-KKSFZXQISA-N 456.492 0.514 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)c(OC)c3O)CCO2)C1 1839375745 JAMZNWGGOJWRJT-MWTRTKDXSA-N 462.499 0.518 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)c1=O 1839419438 BCHKBAYBYGSPHP-QHCPKHFHSA-N 454.458 0.780 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CS(=O)(=O)N4CCCC4)C3)C2)c1 1839420556 PPGWYLWELIDAGO-QFIPXVFZSA-N 494.545 0.193 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CNC(=O)C(F)(F)F)C4)C3)c2c1 1839488970 LJUMMZRYOQXZMK-FQEVSTJZSA-N 494.430 0.183 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C(\C)NC(C)=O)CCO3)C2)c1 1839647395 BNQYTBAZQRJXAW-MPAZDJCUSA-N 456.499 0.677 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C1)C2 1839738746 GDXKHWBZVDRZNF-VVBPWWLESA-N 480.587 0.397 30 20 JCED COc1ccc(Br)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043699 PBDHNOVIQCYOEF-HXUWFJFHSA-N 481.299 0.616 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1840163199 FIBYVCWFKOKTCV-UDSSINMLSA-N 463.600 0.397 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1840168048 DTPRFOOMRHZHAU-DEOSSOPVSA-N 452.511 0.876 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1)c1ccc(O)cc1 1840222392 NNFPRWAZOGSKHO-BWKNWUBXSA-N 471.554 0.872 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCc3ccc(OC)cc3)CCO2)C1 1840253059 QOMZYWURVKBUPM-DVECYGJZSA-N 460.527 0.707 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542813 DBEPIWYAQGHDRC-QGZVFWFLSA-N 467.588 0.931 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1)C(C)(C)S 1842780425 GWVGESGOWHACKB-CQSZACIVSA-N 463.622 0.836 30 20 JCED Cn1c(Sc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)c(C#N)c(=O)n(C)c1=O 14288271 OUIGCVQQGSBNNQ-UHFFFAOYSA-N 471.518 0.837 30 20 JCED Cn1c(=O)c2c(ncn2CCC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n(C)c1=O 31118604 UYQRGGQCPBMSME-UHFFFAOYSA-N 493.503 0.351 30 20 JCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(CCC#N)CCN1CCOCC1)n2C 497519772 VUWCPWVFYWZTJF-UHFFFAOYSA-N 476.603 0.831 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1-c1ccc(C(N)=O)cc1 523256345 DOIUIWTWURTSHU-UHFFFAOYSA-N 455.499 0.795 30 20 JCED CS(=O)(=O)N1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 552828008 BMLPNMQKTCSWKZ-UHFFFAOYSA-N 462.532 0.422 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1[C@@]1(C)NC(=O)NC1=O 604024197 QCRUFZOMYURSGZ-OAQYLSRUSA-N 470.511 0.527 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828418 SMRUSTQNMDBSFF-MRXNPFEDSA-N 476.558 0.961 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(=O)N(C)C 608855233 CSRROYNWCTWQMN-UHFFFAOYSA-N 481.578 0.710 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)C1=O 726043102 PPVUSUXTDUNORU-MRXNPFEDSA-N 459.455 0.887 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)c1 917770186 GUCMCVDWBHKILS-UHFFFAOYSA-N 457.552 0.707 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4ccnc4)nc3)CC2)cc1 918308786 AJTLFZORHLSTSO-UHFFFAOYSA-N 465.495 0.611 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 919396256 CVRQPOCBKMQSBH-UHFFFAOYSA-N 495.295 0.710 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)C[C@@H](C)O1 1115913548 PNOMSVOLQVEFKO-LMMKCTJWSA-N 475.571 0.409 30 20 JCED CCS(=O)(=O)NC1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1198479159 NUQBGRGKFWJVGS-FQEVSTJZSA-N 451.568 0.938 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1296240843 ZQNIPMTWZTWHIB-QGZVFWFLSA-N 465.562 0.985 30 20 JCED CC[S@@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1552419797 WZDJDFLEGYJEQX-UJQZNKFNSA-N 493.659 0.851 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1([S@](C)=O)CC1 1692796154 MGHFLLPKNDGBDM-YPSMLTEGSA-N 492.631 0.393 30 20 JCED C[C@H](O)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1692811607 IKDRWWVDZMCSMN-KFKAGJAMSA-N 476.559 0.441 30 20 JCED CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695353748 VBTHHVRTNVICCD-QGZVFWFLSA-N 460.564 0.614 30 20 JCED C[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1726747207 YUTQDLQXHDTVEW-JEWRLFTDSA-N 456.544 0.726 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC(=O)N1C 1763177204 BXLPYCPOHUDCFF-OAHLLOKOSA-N 461.548 0.287 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C[C@H]3CNc4ccccc4O3)C2)C1 1778929190 ZLSCAOZOPNRLML-YQFKSVOFSA-N 454.527 0.938 30 20 JCED O=C1COc2ccc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)cc2N1 1779018577 AYRBCXWCMWTLGS-HPTBBYBNSA-N 455.515 0.933 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnc3c(c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n1nnc2ccccc21)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1784899461 ZBNWPPHJBAEMNF-YHQVXBFFSA-N 453.547 0.883 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)NC(=O)OC(C)(C)C 1785305630 WCNBIYJWSOCNSE-DWKCODDLSA-N 466.579 0.399 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C5(C#N)CC5)[C@H]4C3)CC2)CC1 1786695637 DFJBWBJIZKGJJY-PMVMPFDFSA-N 485.629 0.993 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1ccc2c(n1)OCCO2 1787382684 BKNZUSRHIHZZPP-TZGVCBCYSA-N 474.514 0.975 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4sc(C)cn4c3=O)[C@H]2C1 1788036669 GOEFEZYQMWKJLT-FZCLSBEQSA-N 458.540 0.696 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cc2n(n1)CCCO2 1788350834 UIMRQXBISLIRSO-RSGOWTOPSA-N 461.519 0.788 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1)c1ccc(O)cc1 1788655050 LGBIGLGCKDWKBM-SWHXEHNNSA-N 485.581 0.520 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21)NC(=O)OC(C)(C)C 1792109183 XAHKILFSUAKAJM-FKSLSLAPSA-N 496.605 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=C3c4ccccc4C(=O)N3CC1)C2 1792490256 RNQWHJJCWHCCTG-XXGILCFXSA-N 476.533 0.705 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1793348029 WXGHBDVPAOGMAC-VXIBKDFQSA-N 490.557 0.380 30 20 JCED CC(=O)NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795421669 SGNUEUXYAAZAQY-JTOYRKQZSA-N 497.596 0.985 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1797939259 DCDZMYUVQGIHLJ-KOFHJDLBSA-N 465.432 0.866 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798356756 YIHMFXPDWVOGIP-ALXJQNPVSA-N 457.607 0.830 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCS(=O)(=O)c2ccccc2)C3)c1 1798694044 UEZUGFKQUHPQTB-UPHUGPLXSA-N 456.524 0.954 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)C1 1799196113 GJPPQFMNVGRTMC-MDMSPXHWSA-N 462.547 0.498 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1799301959 PDPNOVNGSPOZPT-JTIOYYDXSA-N 487.553 0.265 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@@H]1c1cccnc1 1802484784 YFMJXCDRCSUZKX-YLRDJVGTSA-N 453.459 0.891 30 20 JCED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1811797287 WQIRJPBTWUMMSV-GGAORHGYSA-N 451.527 0.559 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C3(C#N)CCC3)[C@H]2c2cccnc2)CC1 1814052485 XBZVKGUEBYDEQZ-IFMALSPDSA-N 452.559 0.945 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816674033 RQXMUFAQGKEMOO-AUXCUJNGSA-N 467.471 0.207 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C#N)ccc1F)CC2)C(=O)C(=O)O 1824673310 FWKXFVUKTSPFPK-NSHDSACASA-N 459.459 0.923 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824974273 LPRMXIYDBBFGIE-FQEVSTJZSA-N 481.663 0.618 30 20 JCED CN(CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC#N)C2)C1)C(=O)C(=O)O 1829243989 ITPCSNDIDTUFET-DEOSSOPVSA-N 499.524 0.285 30 20 JCED Cc1ncc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)cn1 1829332539 QWQCXTILCZOFNN-RUZDIDTESA-N 491.504 0.939 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1829771080 DHZMWOCLVGZYGP-HILQUJMNSA-N 481.553 0.067 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)cc1 1829905777 LWBOJLDINFWOQO-XMMPIXPASA-N 465.510 0.850 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C4CC(O)C4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1830589614 GXDVYVZPBDNNJX-ZWNVHGDVSA-N 479.574 0.779 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)C[C@H]1CO2 1831217891 CLLGOVPGZJSBDQ-OWAUWMPXSA-N 489.569 0.635 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1831387812 LEDLCGSAQRZCTD-NTKDMRAZSA-N 457.527 0.253 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1832458752 ZGKLZTSBMDAJFJ-UZLBHIALSA-N 459.565 0.205 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)n(C)n1 1833448210 YTDQZEHDGYBLLX-HSZRJFAPSA-N 453.499 0.879 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)C1 1834401840 MSURZWBSJOEVDD-QHCPKHFHSA-N 463.579 0.844 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)[C@H]2OCC[C@H]21 1834768776 OHVNWTBPFLDWCN-RTCJPFEHSA-N 492.573 0.771 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1835674824 FYIRPHKGQAMFCR-PMAPCBKXSA-N 464.563 0.314 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)N(C)C(=O)OC(C)(C)C 1835680571 KWMRUEHQFHXUKY-HOYKHHGWSA-N 495.621 0.980 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1835717001 HKYPLGHCBNZUAB-SIKLNZKXSA-N 463.667 0.767 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1835750769 KSFAQIFGOAQSJC-UHFFFAOYSA-N 470.570 0.969 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)o1 1836022947 VKJJIHCDZAFPMY-KTBYTZPXSA-N 460.512 0.878 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)c1 1836126038 PZSBRJGKJPEJHN-UNMCSNQZSA-N 455.559 0.475 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc6n(n5)CCCO6)CCO4)C3)c2c1 1836972359 XHWGXMFRMODGIV-XMMPIXPASA-N 491.508 0.797 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1837397849 WUVBYSVEIGQKFV-GBXCKJPGSA-N 460.527 0.987 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531744 VXISIJXOLMMABC-MOOYHSQLSA-N 468.551 0.277 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1837562460 LCOFKDDAQAEYGO-JRCVBZDQSA-N 493.520 0.948 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c1 1837943617 RDYJWJVPQQVRLX-XMMPIXPASA-N 479.493 0.749 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ncon4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1838322138 DIUXHMLSBQITET-KSFYIVLOSA-N 477.518 0.705 30 20 JCED Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)C4(C#N)CCC4)CC3)CC2)c(=O)nc1O 1838823123 TZVYRKYSIARAAW-UHFFFAOYSA-N 457.531 0.950 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)cc1C#N 1839080340 QEWNSICVJSXCPM-MZLICYQSSA-N 472.542 0.138 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnn4)C3)C2)c(C#N)c1 1839133526 UNSOUCMNFWVLLA-XMMPIXPASA-N 481.509 0.435 30 20 JCED CC[C@H](C)[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1839139057 XYIQXLMHXVVHTL-HOOSLVGPSA-N 495.573 0.860 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1839165632 PZKZAFFVRJCCBM-PMAPCBKXSA-N 482.578 0.437 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1839175475 MCWDDMZHZNCXJP-XMMPIXPASA-N 489.525 0.838 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(OC)OC)C2)C1 1839184961 IVHILUQRNYKMKO-SBUREZEXSA-N 485.578 0.921 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4C)C3)C2)c1 1839451843 QJYFJSOUUXCJSD-DEOSSOPVSA-N 450.495 0.949 30 20 JCED Cc1nn[nH]c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487680 DZAJDGLRVRFOGJ-NRFANRHFSA-N 450.459 0.245 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839570613 WGBHLWTTZYVSNZ-XCUVTCGESA-N 471.514 0.933 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839713181 WVUJISPCIXDYOZ-IUKKYPGJSA-N 490.561 0.212 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1839842545 YNSKJYAWPDMFHX-LAUBAEHRSA-N 457.593 0.327 30 20 JCED CC(C)C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N(C)C(=O)OC(C)(C)C 1840045001 LYXCWPNSBFABKC-UUOWRZLLSA-N 495.573 0.812 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)N(C)C)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251415 CBAGYOAHYYCYCB-GAJHUEQPSA-N 480.562 0.097 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840438189 UCTXFUPIDVRWAE-RUZDIDTESA-N 481.553 0.987 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2)c1ccccc1 1840478032 WQUROQQPRXSGHV-NHCICSSKSA-N 466.542 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C(=O)N(C)C)c1)CCO2 1840787695 NFWQQCSIYRQLON-RRFNBQSRSA-N 484.553 0.317 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1840812255 HVHVQXKVUIEJTF-MHECFPHRSA-N 492.573 0.773 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1840913026 VHDZJTWKDXSEAF-JFOHNERASA-N 494.545 0.021 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1847068523 DQQNAGLSMOQYIK-BTYIYWSLSA-N 451.520 0.722 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCN1C(=O)C=CC1=O)C2 1847081231 NZMKMRPRRQIUHX-VOIUYBSRSA-N 472.542 0.974 30 20 JCED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 505847721 FERGXEYBPWRKPH-UHFFFAOYSA-N 450.546 0.687 30 20 JCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O 522538774 VJJPFCDNYYOOPA-UHFFFAOYSA-N 494.598 0.696 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(C(N)=O)cc1 523254543 HSGRYMZECBECRL-UHFFFAOYSA-N 493.501 0.172 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O 524282677 DYXKDFUHVJQQHY-UHFFFAOYSA-N 454.487 0.233 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 603688086 ZOHKVNLOUBENND-UHFFFAOYSA-N 499.549 0.928 30 20 JCED CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NCCCOC)n(CC(=O)N(C)C)c1=O 604269992 BAAXJHSDBFYMSA-UHFFFAOYSA-N 496.589 0.962 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C[C@H]1CCCO1 604434378 NBWPYAIUJKGBTE-CYBMUJFWSA-N 472.479 0.017 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1 608828702 ISJMHUVVLXNVLU-UHFFFAOYSA-N 496.614 0.942 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(N)=O 608911826 QZFXRALMVNAAHE-UHFFFAOYSA-N 493.383 0.203 30 20 JCED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)c1ccc(NS(C)(=O)=O)cc1 916486459 SZJVYYKPWLQZTE-LBPRGKRZSA-N 465.509 0.911 30 20 JCED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 918328839 FOVZOPLRJKEMNQ-FQEVSTJZSA-N 491.591 0.847 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 920462202 YOWPRIJUTAGQJY-WBVHZDCISA-N 470.617 0.928 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1298661630 XINWPTFFBVQEBY-UHFFFAOYSA-N 456.528 0.929 30 20 JCED C[C@H](CC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1465000155 NNOACIDPDONHBJ-CABCVRRESA-N 455.540 0.998 30 20 JCED COc1cccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1504323030 SWJFXPYWAIXNRJ-GOSISDBHSA-N 453.503 0.568 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1518655759 PELKYTJSEVEWNN-IBGZPJMESA-N 483.573 0.744 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C#N)C1 1552885666 LEVQZJMSMOFVDU-MRXNPFEDSA-N 456.532 0.955 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN1CCOCC1)[C@H]1CCSC1 1569863828 YWMBXXRWPHDAEL-WMZOPIPTSA-N 452.602 0.891 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 1596296812 JQYYTSLBBOUPNK-GOSISDBHSA-N 480.573 0.560 30 20 JCED CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1610091495 OZNSMURXQMVEOX-BEFAXECRSA-N 453.569 0.266 30 20 JCED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1620357514 XUPCJYNGKNDKGL-LSDHHAIUSA-N 464.573 0.823 30 20 JCED CCCN1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1728156388 USJXLERZVFTYPK-NZSAHSFTSA-N 464.640 0.939 30 20 JCED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1742233494 VPSOUKFXDKLYIN-OXQOHEQNSA-N 479.538 0.108 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C 1749879221 WEZHILUWZCHQRD-GOSISDBHSA-N 488.614 0.913 30 20 JCED CC(=O)N1CCC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CC1 1760588899 YQLJGFLFLIZVPG-MAUKXSAKSA-N 467.596 0.608 30 20 JCED COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1771080947 KTEWOVHMPCKPLW-UHFFFAOYSA-N 461.592 0.867 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3ncccc23)C1 1777945374 OINXVZKLLLDAAP-TWEUYWRPSA-N 452.515 0.715 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)C1 1779098260 FCGMFMSRLJCBNI-CTHFFMEUSA-N 451.520 0.935 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1779099842 NNUIXVGKPLNFAL-ZLAHTUIUSA-N 469.388 0.701 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 1782015415 OGZQCZFEZVFLTL-IIBYNOLFSA-N 455.427 0.687 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1782764653 HGKLUDVNUARRNP-HYFFOGBASA-N 460.535 0.586 30 20 JCED COc1cc(Br)ccc1CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567109 GXAKSXKJFGOZTR-FQEVSTJZSA-N 465.300 0.918 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783759459 NITZLCXWEINHLA-MHECFPHRSA-N 476.574 0.745 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C[C@@H]21 1784484071 QGUIVELROLIMSQ-DBSRCYSRSA-N 454.527 0.509 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C[C@@H]21 1784484735 ZNSKHQNGWIUCKU-NTLWEQJWSA-N 454.527 0.358 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1)c1ccccc1 1785153452 XKJVZGAYGYZRMF-FCMAGTKHSA-N 466.538 0.761 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1785571506 DPMMWZKOGVPGRN-IERDGZPVSA-N 471.576 0.168 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1786674827 ZZUNJYKEOOZIBX-JCECYMMASA-N 464.563 0.714 30 20 JCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)[C@H]2C1 1788080402 ACEGMSHQNDFEAX-BXWFABGCSA-N 462.510 0.968 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ncccc4n3)C[C@@H]21 1788659853 VYJDBCFLEHFATP-HPVHJZNYSA-N 456.503 0.852 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789876337 IPRLMPUMNYTCNO-ICUGJSFKSA-N 452.552 0.570 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790176557 YESVYKHBFDOXJZ-AAEZLKGMSA-N 456.540 0.610 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077700 FKSZQQWNIDCCKE-GJGMQZNTSA-N 461.515 0.167 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]4C3)c2c1 1791314441 ZIIFMCNYOOKQKZ-NOLJZWGESA-N 478.431 0.706 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1792267974 OSNFCLXCPAOCEW-SOWBTEIWSA-N 474.562 0.727 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1792484796 RXKHQOCBRHDJQU-KAXDBTLWSA-N 461.540 0.152 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1792529663 XTYIVJBOFOFOJI-RCLSDMTESA-N 490.601 0.310 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(C)=O 1792530896 BGUXMBRVXNEUBX-PJVZLEMVSA-N 466.579 0.960 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O)c1ccc(O)cc1 1793763492 UEPFRJLGCHELDN-OVCNXMPXSA-N 468.510 0.031 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795413205 YLQMHJWPLGSNAR-SFNKJDCFSA-N 491.589 0.641 30 20 JCED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cn3c(nc2=O)SCC3)cc1 1799074613 HKMPINVVDCRAKJ-CEQLMSFQSA-N 479.562 0.861 30 20 JCED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc(Br)cc1[N+](=O)[O-] 1799655694 FHAMPWZPZJKQDD-KSPBDQMDSA-N 480.271 0.957 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)C#N)C4)c2n1 1800345094 ZSIMRPNKJLZAQK-MIFYACCESA-N 498.544 0.266 30 20 JCED Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773615 PTWPCXOACAJMJH-HBCWATKFSA-N 460.487 0.663 30 20 JCED CC[C@H](C)[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)NC(=O)OC(C)(C)C 1800778723 NPOGGGPXTAZVPD-YYYYNJOWSA-N 465.547 0.994 30 20 JCED COC(=O)[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)NC(=O)OC(C)(C)C 1800908976 LPAAWAYDVPQQNJ-AXVVYFOYSA-N 463.531 0.446 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)OC)C2 1802139779 IJNWARUPMCUROP-FVSFCRNKSA-N 465.547 0.999 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]1c1cccnc1 1803548788 PEFXAYLEZFGPJC-DVMWJLJYSA-N 459.499 0.621 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1803556282 HDONSZUNPQQBGO-NZQKXSOJSA-N 478.615 0.801 30 20 JCED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1806613365 FJLRZNTXHDUNBH-DHLKQENFSA-N 480.590 0.870 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3c3cccnc3)c2c1 1807194878 FRKCXAKBKIOGAZ-TVTNDZMWSA-N 474.525 0.742 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1cccnc1 1812875244 SSYKXFDCOMTXAV-GAJHUEQPSA-N 474.473 0.862 30 20 JCED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1822386582 KZKNSORULZWCGL-INIZCTEOSA-N 480.529 0.653 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ncnn3C)C2)C1 1828579315 FEMHLZCLWBLILI-DFBJGRDBSA-N 494.552 0.919 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=N/O[C@H]3CCCCO3)CC2)N1 1828970861 QHCFZLDKYDXRTE-NBSHVLSXSA-N 463.535 0.733 30 20 JCED CN[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCN2C(=O)OCc1ccccc1)C(=O)O 1829346287 RAIUMJFYTUCGPE-PRCFCKQXSA-N 492.598 0.820 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1829348032 IYPRNNRWTOJNPC-LVXARBLLSA-N 497.596 0.835 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)CC2=O)c1 1829638255 WGNBGJYUSXORRR-KOSHJBKYSA-N 470.526 0.808 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)C1 1829765465 XMHBSAUJLKXAHV-YZRXDEHNSA-N 485.537 0.663 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)ccc12 1831214967 FAPMRPWEZYLARQ-RUZDIDTESA-N 480.521 0.994 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1831386406 GMPWOKMVAZUULQ-GAJHUEQPSA-N 473.551 0.558 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1831406187 YSUFEMKRGASAPB-QFIPXVFZSA-N 465.572 0.917 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1831420973 BPZIJDXEMZGZIP-JPYJTQIMSA-N 455.515 0.928 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1831997550 BYSLBULRPBXVPC-HXOBKFHXSA-N 493.561 0.846 30 20 JCED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1832285420 FFGAQMBFABEDAG-DEOSSOPVSA-N 456.543 0.816 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(Br)cn3)CCO2)C1 1833107099 XKGLZESRMRGYAM-HRAATJIYSA-N 480.359 0.881 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)cc1 1833305085 PWIDZNOLTCLJRE-DEOSSOPVSA-N 463.494 0.365 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1833473516 VJVQDOKWMWTUMO-SJORKVTESA-N 458.625 0.477 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3OCC3CC3)CCO2)C1 1833623986 FUZFOCGAGPDUHW-HOYKHHGWSA-N 457.527 0.979 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1834774782 CXAIQMXNCFRLTG-AWUSRGSFSA-N 459.474 0.816 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835362486 MHBLXKSTBCBIPD-JLHGSKIFSA-N 466.535 0.117 30 20 JCED CN1CCN(CC(=O)N2CCC(N3CCC(NC(=O)/C=N/N4CCCCC4)CC3)CC2)CC1 1835731531 YBZLAKCMCPDQBX-NCELDCMTSA-N 461.655 0.277 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)C(=O)Nc3cccnc3)CC2)CC1 1835802785 IDECLYXSIXCVNF-UHFFFAOYSA-N 469.590 0.874 30 20 JCED CC(=O)N[C@@](C)(C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)c1ccccc1F 1836422369 ZVCLKEOLOGFCAI-RUZDIDTESA-N 486.544 0.837 30 20 JCED N#Cc1ccc(F)c(C(=O)NC2CCN(C3CCN(C(=O)CNCP(=O)(O)O)CC3)CC2)c1 1836463904 YRULBAIKLZESBR-UHFFFAOYSA-N 481.465 0.607 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1836474217 YAVGFKRAMKSNQO-HYFFOGBASA-N 455.552 0.541 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837376499 ZXRFMMYBOHMVIE-HXOBKFHXSA-N 457.531 0.265 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)C1 1837392601 FNRDVCWXGKQDIS-GSRZOBFVSA-N 466.575 0.995 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1837396456 HGTNYRAWYUAURE-ZHRRBRCNSA-N 464.519 0.341 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1837403468 UFDRIDYTFVKFHT-HOFFSEQDSA-N 483.565 0.926 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1837440827 AANJPUDHERCUHS-QOOAHNBZSA-N 450.927 0.672 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1837530532 NNAFMWIQKIMDBY-MHTGZXFVSA-N 467.519 0.315 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837650183 MDSUCOVHXLFDIJ-JPYJTQIMSA-N 468.514 0.321 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739277 POTOURNDMSMQJD-UPCLLVRISA-N 483.500 0.914 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cnc[nH]4)C3)C2)c(C#N)c1 1839131513 IUEKWDHMZMNVIG-DEOSSOPVSA-N 467.526 0.922 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839209134 OZMJHDMRVXCQOK-IIBYNOLFSA-N 454.524 0.022 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)ccn1 1839225958 ZSKZYMMYRAMNGH-AOMKIAJQSA-N 461.519 0.911 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1839452471 DBVKUDFFBZBNIX-HSZRJFAPSA-N 465.466 0.739 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839871489 JPDAQLMQBGODTJ-QZMQVMSPSA-N 480.562 0.048 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCCCC2=O)CCO3)cc1 1840103652 LNHBUVGZCMGEHM-XMMPIXPASA-N 454.527 0.570 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1841746701 ZEOJKCGTUNAJSR-AWEZNQCLSA-N 460.468 0.384 30 20 JCED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1)c1ccc(O)cc1 1843235904 HRSJFDKLJOQLAC-MRXNPFEDSA-N 461.482 0.532 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843838672 CLFKQNNSKOWFJM-GOSISDBHSA-N 496.630 0.778 30 20 JCED Cn1c(CCC(=O)Nc2ccc(C#N)cn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 409730877 OIOQJYUENWWLQA-UHFFFAOYSA-N 454.512 1.432 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480212706 IXCJTTCJBVHSEZ-UHFFFAOYSA-N 466.563 0.534 30 20 JCED Cc1nc2cc(O)nn2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 519081173 PQVWGHPAARNFGX-UHFFFAOYSA-N 454.512 0.999 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccc(C(=O)OC)cc3)c2=O)cn1 523856386 MCANVEPBVIZYBF-UHFFFAOYSA-N 495.561 0.558 30 20 JCED Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C 552010335 PGYJHLPXXWSARS-UHFFFAOYSA-N 476.580 0.987 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(Cl)c2)c1=O 603793229 SYBKUVZQWAFYMQ-UHFFFAOYSA-N 458.971 0.701 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cccs2)c1=O 608913134 XUFSAXZOQYXILZ-UHFFFAOYSA-N 474.589 0.662 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCS(C)(=O)=O)c1=O 729673029 CELJUHOBUJXJEU-UHFFFAOYSA-N 475.592 0.525 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c1 745339960 VEJBYKHQLLWPCV-QFIPXVFZSA-N 459.506 0.980 30 20 JCED N#Cc1ccc(CNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1 746542713 RSVZFIJJROFBOX-UHFFFAOYSA-N 458.496 0.515 30 20 JCED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 857752087 ADCYTDBRJPWPLT-IUODEOHRSA-N 473.345 0.663 30 20 JCED CC(C)[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCS(=O)(=O)C1 876701187 OQCNIODZXRKILK-KSSFIOAISA-N 485.584 0.376 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCOC[C@H]2CCCO2)CC1 915542156 IEGWBMYMEIIQCV-GOSISDBHSA-N 465.528 0.520 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 917781683 RPFJVHSECBVYOX-UHFFFAOYSA-N 490.589 0.338 30 20 JCED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 919315466 GAGXRCMPYHGMPS-UHFFFAOYSA-N 478.571 0.075 30 20 JCED Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c1C 1208260030 UMKPCDIMIQYUJA-GOSISDBHSA-N 456.590 0.696 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1287789669 SMUHPLPWGFRLBH-WMZOPIPTSA-N 453.613 0.985 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN(C)CC(F)(F)F 1288861593 BNKMIOYDRCXMLT-DZGCQCFKSA-N 478.545 0.559 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)C1 1288977643 QNJKTPZDTUBKHK-KXBFYZLASA-N 467.621 0.738 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C(C)=O)CC2)cc1OC 1504202723 IZBWCPDVZGNSDV-LJQANCHMSA-N 469.546 0.855 30 20 JCED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)F)CCN1C1CC1 1505322881 CDRHPQSZQVJTLW-CQSZACIVSA-N 478.529 0.827 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CCCC3)CC2)c1C#N 1543001661 YICLMAZKNXAULQ-UHFFFAOYSA-N 455.567 0.962 30 20 JCED CCOCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1548065802 PAOFFRQLBBTEFF-OALUTQOASA-N 495.650 0.850 30 20 JCED N#CC1(c2ccccn2)CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 1586056858 JKIUPIZKZNSIBF-UHFFFAOYSA-N 453.524 0.900 30 20 JCED CCS(=O)(=O)NCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1617395323 IQCDESXYXQYRKI-FQEVSTJZSA-N 477.570 0.833 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1696578528 KKWZNFJEGJXEDY-PMACEKPBSA-N 452.563 0.935 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1712708597 DULSHABDFXHISF-LJQANCHMSA-N 460.560 0.998 30 20 JCED N#Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1712879486 BUPNCLWQXUBSHC-HXUWFJFHSA-N 466.514 0.753 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC1CC1 1751096381 QITBUNKWNFXCNP-ZBFHGGJFSA-N 474.609 0.174 30 20 JCED Cn1cc(-c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2CCNS(C)(=O)=O)cn1 1769007250 WOMJULZJLFZQOW-UHFFFAOYSA-N 473.538 0.565 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2 1779398050 FCSWLLNHOOKQGL-WZONZLPQSA-N 472.542 0.774 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1781112769 DRPNGCZWZVFGFV-PHIVCAIISA-N 490.557 0.756 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781380644 SYTOSUDCAPJEPR-DEOSSOPVSA-N 486.606 0.885 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783159939 ZKQYQGWSGSAGLA-ZMPRRUGASA-N 450.536 0.422 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785306770 NQJBFQNOOBOVHO-YCRPNKLZSA-N 453.540 0.344 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1785572705 ORFZRQVRFKUAGJ-VGSWGCGISA-N 490.517 0.538 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)n3cnnn3)CCO2)C1 1785598738 XKXJGVHFRQJIBN-AHWCRGGASA-N 475.550 0.533 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786798488 UUNAZHYOTLMONL-BURNTYAHSA-N 485.585 0.932 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786884751 LBKWFBAHDWRYRK-ATIWLJMLSA-N 481.594 0.028 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3nnc(C)o3)[C@H]2C1 1787031738 KXBDCOPQWKZOLZ-XSLAGTTESA-N 475.546 0.817 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1 1787392699 PPOBCHISBLUPHD-VJANTYMQSA-N 469.579 0.835 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906799 JVCBMKAHSBZYAE-QQDKQVRDSA-N 462.478 0.284 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC)[C@H]2C1 1791229588 PGELBSOIZMGYGV-VSJRIJOYSA-N 459.543 0.580 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C[C@@H]21 1791259056 MOWDNBGQONPMHU-WOYTXXSLSA-N 457.593 0.920 30 20 JCED CS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1792102525 SLFNHBMNFSGPNW-NUTKFTJISA-N 468.915 0.425 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@@H]21 1792266829 HATOJCZHOHAOSF-SOWBTEIWSA-N 499.630 0.870 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CNC(=O)OC(C)(C)C 1792988734 ABJGVIZMEOGIOU-HSSGRSBVSA-N 464.563 0.595 30 20 JCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCN(c3cc(NC4CC4)ncn3)C1)C2 1795085296 DURUTIDMZHRLNC-FSTVOOFJSA-N 453.547 0.771 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795389695 NLDYAQBAOYUNCQ-FSNPWBFUSA-N 464.563 0.714 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O)c1ccc(O)cc1 1795644666 NZKDTWRCYSUOAV-PHTMTLDSSA-N 457.527 0.542 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795996962 GSDQOHYLPITZMW-VFFTVRQLSA-N 453.421 0.700 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C(C)(C)C 1796298442 MJYIUCFDIZVDND-LTCOOKNTSA-N 451.520 0.603 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2 1797783425 QGLJZCXRDIIZMX-JTOYRKQZSA-N 451.567 0.989 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2 1797811744 USPJSPMUMYNJFB-LEYOYVDXSA-N 456.543 0.820 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798695858 PUSZVLVUYRYZMB-CYGHRXIMSA-N 489.529 0.546 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2 1799232354 AKAVUIJFXZUNIX-RHQZKXFESA-N 493.605 0.720 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)C(F)(F)F)C3)c(C#N)c1 1799241129 MCWCNAQLTBKRPK-CCWDJLKJSA-N 468.432 0.377 30 20 JCED CC1(C)C=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CN1C(=O)c1ccccc1 1800781309 ZZHOZIUZUQIPAQ-HATOLVCRSA-N 465.506 0.525 30 20 JCED COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2 1800849225 QCYPBAYHBGJDQZ-WERVVEIQSA-N 473.567 0.073 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1802125238 QWYUDFUZORAYML-YZIUBNRHSA-N 496.568 0.938 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1802489192 DEQJAUPZYKRDLF-VZHQTYKDSA-N 487.557 0.789 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C3(C#N)CCC3)[C@@H]2c2cccnc2)CC1 1809678499 MMXWVNJOPMJCBG-RBBKRZOGSA-N 452.559 0.945 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1810248967 RFFWPWCHJSBHEW-UWWQBHOKSA-N 466.502 0.100 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)cc1 1814173301 IMPABSWPIIFAFX-ZDUSSCGKSA-N 461.521 0.925 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825663935 MSMHKOUYHRMVTO-LLVKDONJSA-N 462.509 0.397 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCN2C(=O)OCc1ccccc1 1829226390 ANZAFCJDGYKTNK-JLHGSKIFSA-N 462.572 0.891 30 20 JCED CC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1 1829304307 SWNVBNOGRUWPRX-AOMKIAJQSA-N 462.572 0.893 30 20 JCED Cn1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n1 1829332626 SGOWJAYGIDZBTI-DEOSSOPVSA-N 479.493 0.574 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCNC3=N)C2)C1 1829461049 IKHNDYNKQKVAGE-RUZDIDTESA-N 480.569 0.692 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829532264 OMYGLKAXVCAQQU-DKRHDQAXSA-N 468.457 0.959 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1831208339 LWMPDVLAPYVVQG-AREMUKBSSA-N 479.533 0.471 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)OCC=C)CCO2 1831438994 ZIWMAKUDLHHEBA-YDIMBITNSA-N 479.574 0.951 30 20 JCED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831519114 ZRNNGIITXUGPHK-RSDPBLMXSA-N 455.515 0.912 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1832452478 ZKKFXXAOXKHTDC-VGOFRKELSA-N 486.635 0.604 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C34CC(C(=O)OC)(C3)C4)CC2)CC1 1833077024 NLAMPQUGVDSUIR-PLNGDYQASA-N 472.586 0.760 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(-c4ccccn4)nc3)CCO2)C1 1833289350 QJNZSTUYPNDZIU-KOSHJBKYSA-N 465.510 0.647 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c1 1835096442 AENPEONPQGGPHK-DEOSSOPVSA-N 483.546 0.607 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)c(C)n2n1 1835099557 NDHITIRTDJJLTL-RUZDIDTESA-N 474.521 0.863 30 20 JCED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)C(=O)O 1835763160 GVAMYNVTIQWJBH-UTKZUKDTSA-N 464.906 0.344 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c(C(F)(F)F)n1 1836321802 KHKFBKMYTYMMFE-IBGZPJMESA-N 479.419 0.334 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1837397641 RLZZQHUTPQSKDT-RDPSFJRHSA-N 469.542 0.910 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1837443386 IHIWRNLWGGLZCD-RWOVVYLESA-N 454.531 0.876 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491114 UXBOKGZRZZFMJV-XXBNENTESA-N 459.547 0.069 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1837528207 BDJCZTYCIVSPEC-XQHLYRQSSA-N 471.514 0.933 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533661 YMQASJBWJYDPKN-RORQMLAVSA-N 462.503 0.193 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1837561227 DJMHGKCJJYPHKQ-IAWFGPOKSA-N 497.552 0.700 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837701372 LFUWZQGDBNXJLV-HJPURHCSSA-N 458.490 0.387 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1838194697 DKTKNVLJNLLUTD-JKJLQIMHSA-N 458.563 0.689 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c1Cl 1838595130 IUPVEXPJARHPMI-ZHRRBRCNSA-N 460.918 0.808 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4CCN(C)CC4)C3)C2)c(C#N)c1 1839131007 HIOFNTAHALYPDP-RUZDIDTESA-N 470.570 0.908 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cn(C)nc4C)C3)C2)c(C#N)c1 1839131576 LPUFDNMDMPRSHY-XMMPIXPASA-N 467.526 0.922 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cncnc4)C3)C2)c(C#N)c1 1839131829 BKPHNGKJSNHUAU-RUZDIDTESA-N 479.537 0.989 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C(\C)NC(C)=O)C3)C2)c(C#N)c1 1839132462 GTSXFRJFHKTPDI-AFAPPVNZSA-N 470.526 0.606 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204625 TYHRIKJJZMQJIY-CYFREDJKSA-N 481.590 0.912 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839372582 JFRLFEHPOXXMJB-DEOSSOPVSA-N 474.510 0.572 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnsn5)C4)C3)c2c1 1839487419 HVCNJVNRPZAIKT-HXUWFJFHSA-N 453.484 0.670 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccnc6c5OCO6)C4)C3)c2c1 1839489351 YACLNNKPJDMMMU-XMMPIXPASA-N 490.476 0.942 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839551536 XMXJDXNINBEQHB-QHCPKHFHSA-N 454.531 0.686 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839560860 OQHZHTQKFHAICE-HBAGGBEISA-N 454.531 0.876 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839655198 KVUUXSPEADGANZ-NRFANRHFSA-N 463.535 0.251 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(I)ccnc3F)C2)C1 1839807596 AAMSPAUTWWFEEM-KRWDZBQOSA-N 473.242 0.529 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]13C[C@@H]1CCN3C(=O)OC(C)(C)C)CCO2 1840082945 YSUAHFOXSMNWKG-QKFIJCJASA-N 491.585 0.881 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219265 GHLOVVDMXJDERO-RPWUZVMVSA-N 479.574 0.618 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c1 1840714212 WUTQBIJQLPJLCP-CYFREDJKSA-N 456.543 0.716 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1840716904 WZXWGSMIAVZVKF-YQOVMPOYSA-N 454.527 0.910 30 20 JCED C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820718 GUCQQELYCGTUFR-YADARESESA-N 467.526 0.926 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1840907171 PZEOQLWLHBFAJX-HXOBKFHXSA-N 475.546 0.705 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1840913141 ZJEDEGNHYIBAPG-NLSFWIRASA-N 490.561 0.204 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1840917984 ZKLFPGXHPKEPPL-GAJHUEQPSA-N 497.593 0.361 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2 1841052956 IQUNLIMJWPLDNI-HRSJTUSDSA-N 464.563 0.976 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1841475725 ACGUIAWJMZQBBW-IBGZPJMESA-N 494.556 0.884 30 20 JCED C#CC(=O)N1CCCC12CN(C(=O)[C@H]1CN(C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)C2 1845957682 BUQSTBJKELMSLH-GOSISDBHSA-N 460.575 0.923 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1846282111 NBLWWJULVSABTK-ACRUOGEOSA-N 497.596 0.920 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2)C(C)(C)S 1846301370 ADQLEAAVCULSKH-UKRRQHHQSA-N 471.624 0.384 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 25821061 JWKONELLEBOAEN-UHFFFAOYSA-N 483.616 0.444 30 20 JCED CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2C1=O 518073178 IYSAUTULHGMTOX-UHFFFAOYSA-N 481.490 0.256 30 20 JCED CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c1 520064543 NJPFTQGUOTWYRS-UHFFFAOYSA-N 456.568 0.185 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 603666366 IFQVGFKEWBDULB-UHFFFAOYSA-N 491.551 0.251 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(S(C)(=O)=O)cc3)c2=O)c1 726582947 XJWQNFPPBJKLRL-UHFFFAOYSA-N 463.540 0.533 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCN(Cc2ccccc2)CC1 749399243 LSMKFIAQESYDDQ-UHFFFAOYSA-N 469.567 0.576 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2Cc3ccccc3O2)CC1 792134235 PSYRVJLXCQSPNR-IBGZPJMESA-N 455.492 0.938 30 20 JCED NC(=O)c1ccc(CN2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 917172445 KAMTWVPGLIAIKU-UHFFFAOYSA-N 469.567 0.949 30 20 JCED CCCC(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 917979608 QCIJXQZHPRRZRG-LJQANCHMSA-N 490.582 0.973 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 1291920574 SSALEKHDRNETBT-PXAZEXFGSA-N 459.450 0.915 30 20 JCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1299241895 VTLUTHYKNOMNAS-UHFFFAOYSA-N 450.547 0.697 30 20 JCED CCN(CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)S(C)(=O)=O 1502179493 JNSZGACHCYBAJZ-GOSISDBHSA-N 478.623 0.362 30 20 JCED COCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1504649609 PVJRHUYIYNQMIU-BEFAXECRSA-N 456.544 0.870 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCCC1=O 1508426188 SWFUIUNKPZPCAE-ZWKOTPCHSA-N 481.623 1.000 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1COCCO1 1611705101 NFALFCKBWVAPIZ-HZPDHXFCSA-N 493.565 0.641 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1623964943 YOAFPRJDUKVICL-CQSZACIVSA-N 452.533 0.867 30 20 JCED CO[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1697650253 MNVBULKBHNYXCI-NNFUDEMPSA-N 456.544 0.868 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CCN1S(C)(=O)=O 1698453944 XTUIANQAXCXIAJ-HNNXBMFYSA-N 481.604 0.178 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](c1ccco1)N(C)C 1706887789 REYIWFUKCBJFCM-RYQLBKOJSA-N 476.607 0.961 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCN(C)C)CC1 1741134115 XLSCZFGPLCKOFN-QUCCMNQESA-N 496.682 0.480 30 20 JCED CCc1noc(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1764979086 FVDLPYSBWANENY-LPHOPBHVSA-N 467.527 0.960 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779068276 YDYHUDOTCZGTGB-DFBJGRDBSA-N 493.601 0.791 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779179426 DRFOZGVNGPHYDC-FYSMJZIKSA-N 480.500 0.678 30 20 JCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1780936589 RKYWYHRKCPGBBG-HSZRJFAPSA-N 452.511 0.825 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1781341635 YLZNIWYKHLDLKW-VGOFRKELSA-N 461.519 0.606 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781352788 FVCSUMBTORROEZ-RTGFIBOWSA-N 481.594 0.564 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192818 VXIMUNQPEWZOAQ-SZNDQCEHSA-N 459.528 0.559 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(C)(C)S 1783781035 AKDDCHSWTUIXLY-IIBYNOLFSA-N 469.560 0.506 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)CCO2 1783895628 YKHUZDMSWVQOTE-OSAWLIQMSA-N 457.593 0.753 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1785576040 HEZJKGZXEORCSI-NYHFZMIOSA-N 459.503 0.130 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1785577636 RHCAKQXYEANDMQ-VFNWGFHPSA-N 478.575 0.643 30 20 JCED CN(C)C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1 1787198981 SGJQXSVIEKFACU-CQDKDKBSSA-N 453.421 0.654 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]2C1 1788771588 DLIMZCYYXWIRFK-OMZCGLGVSA-N 496.605 0.587 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1789890504 YCIQGMRZOUUAGM-YEWFCNIMSA-N 488.541 0.482 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]4CCO[C@H]43)C[C@@H]21 1790793360 ACBXCSAVJALRDN-NKGNIGRLSA-N 461.559 0.871 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4c(=O)[nH]c5ccccc5n4n2)C3)cc1 1792556455 GAWVAYNIKXNGHH-OPMZPASUSA-N 497.515 0.888 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2nnn(CC)c21 1794108973 WXJUDYTYEXGHLM-RCJHGTSTSA-N 472.546 0.355 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O)C(C)(C)S 1794211260 BTKGLNNPBIAYOH-HCZIRCDUSA-N 497.618 0.824 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)c(O)n1 1794490691 HSSNPNRVXOZHSZ-HBCWATKFSA-N 455.519 0.442 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)NC(=O)OCC)C3)c(O)n1 1794491068 QZOZVBWZYMEPNN-HXFPYSNGSA-N 462.503 0.174 30 20 JCED CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)nc2C(F)(F)F)CCC1=O 1795996802 GYODFZXHWNAMEU-DPIQGUFMSA-N 478.431 0.783 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)cn1 1796075631 LGFPCTVLHKYOQN-JHDGKUDLSA-N 467.547 0.881 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)c2nncn2c1 1797688590 ZMHUITFEUKJCOV-KQORHLAWSA-N 458.906 0.444 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCC#C[Si](C)(C)C 1797729495 VIGHOHCHCMHAJY-JTJHWIPRSA-N 451.640 0.778 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3CC3)C4)[C@H]2C1 1800740828 MKHNVKATVKXFDD-IGKFWFGWSA-N 473.570 0.871 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1800801484 JNOFMPJIEQQSGP-YYAJDYIMSA-N 489.529 0.546 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccnn1)C2 1802127457 GSNWSOLUHRCUMG-JCECYMMASA-N 460.535 0.345 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1802484636 XHIBLWHRXCJJPK-OHLRXGENSA-N 452.471 0.461 30 20 JCED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1806621780 XCPSNDXFIPQNMD-DHLKQENFSA-N 450.539 0.426 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808693737 MNHLCCRLBIPDST-ZWOKBUDYSA-N 474.514 0.451 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CN2CCCCC2=O)[C@@H]1c1cccnc1 1812975104 VZRSZESBOXTRSO-HMHWDUBWSA-N 453.543 0.958 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1829260706 BTPJHPRFOWRACJ-NTKDMRAZSA-N 452.511 0.598 30 20 JCED CCC(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829286596 XLLNORDTSQIEQB-HSZRJFAPSA-N 455.467 0.506 30 20 JCED CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCN2C(=O)OCc1ccccc1 1829346512 WGUBDEJSXSJROS-OPAMFIHVSA-N 462.572 0.893 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1830573833 RBESFRXDSBBCMN-VGSWGCGISA-N 453.536 0.132 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c(O)n1 1833699771 LNBMVLMNFZAOHZ-ZEQRLZLVSA-N 491.541 0.592 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834034396 OTEXVKPLCYMPCZ-FDDCHVKYSA-N 473.530 0.463 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)cc2C1 1834760459 DPWLRHHNLVECKF-HSZRJFAPSA-N 488.545 0.617 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCC)CCO2)C1 1834989976 BTPSZXBEKNDVHS-NLSFWIRASA-N 467.563 0.949 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1837403621 OYQAGIGIILFRAB-WZONZLPQSA-N 457.531 0.681 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486692 MLEAYUOCBAMLTH-DEOSSOPVSA-N 463.575 0.448 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837529609 WKPWSYWLPSHETN-GFODGPHOSA-N 472.502 0.328 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837640097 CAHNIRCXBBUSIN-DVECYGJZSA-N 466.542 0.875 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837841655 IFKJTRZZFUZMCK-FQEVSTJZSA-N 471.558 0.528 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)c(C#N)c1 1838337766 DFFAYAMOAAVMJP-DEOSSOPVSA-N 466.494 0.513 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NC(C)=O)C3)C2)c1 1838579340 JIXVUKSLSMHXRD-QHCPKHFHSA-N 458.515 0.552 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cc(C)on4)C3)C2)c1 1838582485 OIYSEAUNROCJDT-XMMPIXPASA-N 497.508 0.363 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H](C(=O)OC)C3)C2)C1 1839173358 LMMVGYAQHIPYRK-IEGUWTFLSA-N 466.531 0.542 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1839176284 GJUTYYUHVNXEMF-JOCHJYFZSA-N 456.536 0.741 30 20 JCED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186303 LLRZARQHOSXCFR-JOCHJYFZSA-N 457.462 0.889 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839621248 LFWWBOCFANUKCZ-WZONZLPQSA-N 461.563 0.380 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840004587 GEDJDAWIKRTNSW-XPPIMPSXSA-N 450.532 0.769 30 20 JCED Cc1cc(Br)cnc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041479 OPDLWRGHJAGPIR-IBGZPJMESA-N 466.288 0.311 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1840158454 LYJYMCJQNIPAJR-QMHKHESXSA-N 475.567 0.838 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1841746620 VDUMJGYXRLFQSD-CQSZACIVSA-N 471.518 0.704 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2nccnc2C(N)=O)C1 1844597117 QTSWTGRIQKLKLC-QKFKETGDSA-N 470.530 0.862 30 20 JCED C#CCCC(=O)N1CCCC12CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1846999518 JLMBRSJREBANFN-INIZCTEOSA-N 455.577 0.931 30 20 JCED C=CCNc1nnc(S(=O)(=O)CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)s1 492083570 UCJGKNPVZVNYFY-UHFFFAOYSA-N 487.585 0.569 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 514644974 HIGRUKOGVDOPQF-UHFFFAOYSA-N 467.595 0.945 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)cc(OC)c1OC 550106796 IDEOPYQSBCGXKD-UHFFFAOYSA-N 497.504 0.946 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cc(OC)ccc1OC 608827316 MEFKRBCHTWBBRQ-OAHLLOKOSA-N 480.546 0.965 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccnc3)c2=O)o1 609038727 WUMXVARKTYXNMT-UHFFFAOYSA-N 450.520 0.811 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)ccc2OC)c1=O 725763524 NDICDWZDKVQVAP-UHFFFAOYSA-N 465.959 0.874 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(C(N)=O)cc1 726576081 WBKOUGVSADXZFU-UHFFFAOYSA-N 497.540 0.360 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(Cc2cccs2)CC1 805942127 HSYYKHWIVDPVHQ-UHFFFAOYSA-N 462.553 0.786 30 20 JCED N#CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1ccccc1 914667502 CCZKFUIKHSPTDT-UHFFFAOYSA-N 456.480 0.521 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1 919846600 RAOKGFVDAXYOOR-QJOMJCCJSA-N 472.527 0.641 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(C(C)(C)C)n2)c1=O 920395619 YBTATPYBLSWJMI-UHFFFAOYSA-N 462.597 0.672 30 20 JCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCSCC3)C2=O)cc1 1226882138 RHNDXIBOZHZZOE-QGZVFWFLSA-N 451.574 0.337 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOCC2)c1 1316336550 NCHHEIJKQOUQNQ-SFHVURJKSA-N 460.560 0.800 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CCN1S(C)(=O)=O 1316493354 NULNXAVFFBSGPC-KRWDZBQOSA-N 487.586 0.536 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1541803551 JJHJPVXYUHMCTI-KZNAEPCWSA-N 465.624 0.861 30 20 JCED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1620357512 XUPCJYNGKNDKGL-GJZGRUSLSA-N 464.573 0.823 30 20 JCED N#Cc1ccc(CN2CC[C@H](NC(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)C2=O)cc1 1626695110 PFVWPHAFHCUZOW-FQEVSTJZSA-N 454.508 0.784 30 20 JCED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1665947099 LXLSGRHOJKZZEN-LLVKDONJSA-N 455.283 0.421 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1690956359 PKDLSDSNKGHDND-IBGZPJMESA-N 472.571 0.983 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(N2CCOCC2)n1 1692786205 SLUONVQVVSGKCN-FOIQADDNSA-N 478.554 0.610 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccccc1)N1CCOCC1 1723959152 YLNSCFOYGAYSAU-DFQSSKMNSA-N 489.602 0.691 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1761477065 XHPJZNVVGIVOJT-MRXNPFEDSA-N 453.613 0.864 30 20 JCED Cn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1CCCS(C)(=O)=O)CC2 1767529078 MIBMNAOOZXSGAH-UHFFFAOYSA-N 453.528 0.908 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(=O)NC2CC2)C1 1771361620 NTFFHVOKPABEKL-HNAYVOBHSA-N 469.543 0.112 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778790272 PEJCIOACVFTVMI-VVBPWWLESA-N 484.550 0.350 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1779284119 HQQVNIUNXTYFNE-SEPYTNNBSA-N 464.563 0.976 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779949294 CJDKTRDHXBPALB-HSZRJFAPSA-N 498.565 0.657 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[C@H]3NC(=O)OCc3ccccc3)C2)C1 1780963909 LJGUCPPKAROORL-UMEGOILYSA-N 483.521 0.999 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781966585 LLDFFTQSCYDQIB-XMMPIXPASA-N 493.532 0.837 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CCO2 1783114904 STKRUJVOTBQHDJ-NRVIRDBHSA-N 464.588 0.209 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1783115125 HFYPRHIQDLPTLR-WNSKOXEYSA-N 474.583 0.883 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783141614 FOOOLQKANQHZHB-VGOFRKELSA-N 452.552 0.812 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783558069 NNSOTINMGLXCDH-SEPYTNNBSA-N 463.531 0.988 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC(F)(F)C1 1783561891 OIVMBEKAQHCORE-QVKFZJNVSA-N 485.484 0.797 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1783765816 RZWIZAZCXOIPHL-ZHRRBRCNSA-N 466.535 0.738 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784196662 GNWKCLPKDMLOGV-QXCZDIPSSA-N 483.606 0.815 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1785375502 CSJKLRPDDIKRCK-CPJLOUKISA-N 493.520 0.773 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)c1 1785376744 ZPSQARMBLOPNGZ-HSZRJFAPSA-N 484.534 0.879 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786701063 JCSINTNILFRPMO-FJIDUMEYSA-N 450.536 0.906 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)[C@H]4SC(=N)NC4=O)C[C@@H]32)c(C#N)c1 1789842049 SREWIGFRFDTNNF-FXKIASKYSA-N 499.593 0.892 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1791286442 BSWCQEVIRZKEKD-HLMLEMEXSA-N 469.498 0.644 30 20 JCED C[C@@H]1[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CCN1C(=O)OC(C)(C)C 1792351284 UYXIEINTUGYWOA-WKULXVSPSA-N 463.531 0.700 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccc(O)nn2)C3)c1 1792833974 WOCISORMZYZCLT-FEJSZKPUSA-N 451.483 0.655 30 20 JCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1)C2 1795085799 KFLDBDWUORTNAZ-WEMPKCCASA-N 484.509 0.792 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795580957 IQSOVUCQSBFINI-AJYBTWMASA-N 490.605 0.113 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796446439 UNARINPONRLHTH-DNTRBPPBSA-N 483.550 0.685 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncnn2c1 1797561263 ZSJHTZXBSURGIX-AJYBTWMASA-N 482.541 0.849 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797624629 CCPZCTIEGCIGAW-KRXQYRFLSA-N 477.566 0.379 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1ON=C(c2ccccc2)O1 1797644636 TUHXCWBLSKGDGJ-ZQYRFBGISA-N 457.483 0.820 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1799682472 SEDZHYYFDJDGBW-WQDJSCAQSA-N 465.547 0.118 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O 1800535196 MEFCSKCLXBWBPB-UJCHZGTJSA-N 466.579 0.960 30 20 JCED Cc1c(Br)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1[N+](=O)[O-] 1800779710 SYMIYNSSJIJOQX-IVWMJMPLSA-N 480.271 0.957 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H]2C[C@H](O)[C@H](C2)N1C(=O)OC(C)(C)C 1800787404 QMDRMYJYKNIHNP-LWWSSTOXSA-N 493.601 0.926 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]1O3)C2 1800988500 NDPXDGDWUSNSMK-MYNMMXSPSA-N 469.604 0.919 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(=O)oc1)C2 1802125394 WGHBILBUIOBVLH-SFNKJDCFSA-N 459.499 0.760 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCCC1)C2 1802126322 KTHVKSMPWMXRDH-JTJHWIPRSA-N 462.591 0.979 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1802187264 BNFLZOMBDOMPHX-WOUAJJJCSA-N 498.646 0.610 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@@H]1c1cccnc1 1802484781 YFMJXCDRCSUZKX-VKRNSVOSSA-N 453.459 0.891 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)ccc1F 1804094578 QNJWXRUTMSDAFV-GAJHUEQPSA-N 478.484 0.893 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1819900214 HQMLYGRXSWPGFD-FPEZQPHVSA-N 464.504 0.136 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)[nH]n1 1822199245 FZAUUOPOLFESIC-KRWDZBQOSA-N 479.497 0.525 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3CCc4nc(NC(=O)[C@@H]5C[C@H](O)CN5)sc4C3)c2c1 1822616079 HFNPWJYTUKNOAP-WQGACYEGSA-N 451.512 0.840 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)C[C@](C)(O)CC(=O)O)sc2C1 1826068324 IEIBORMXXKYZJE-ODXCJYRJSA-N 451.549 0.953 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828495692 HJUQIUYYWGTPLV-CPJSRVTESA-N 498.536 0.441 30 20 JCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1cccn1 1829333620 BJWHKJVSAMXVEI-CLOONOSVSA-N 493.520 0.984 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1829342797 OHPXCWGKTFLHCO-WLENULPWSA-N 491.614 0.350 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830184232 JHCHKIAYHVUVFL-AUSIDOKSSA-N 480.583 0.733 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1830462263 AWIGXQKDVKOYTQ-NFBKMPQASA-N 475.567 0.524 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1830886255 TXOKHQPJZXCOLA-MGPUTAFESA-N 495.495 0.837 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831275786 CYRKNWVILVDFFA-KOSHJBKYSA-N 494.589 0.276 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1831397546 ZVXBVKWLAJFZMW-KKSFZXQISA-N 451.907 0.609 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831406202 ZZQINKAXAVTCLW-RUZDIDTESA-N 488.585 0.971 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1831433071 FYQUQCYLUBEFHT-KOSHJBKYSA-N 458.559 0.431 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831464858 UCSFJMMDULTSRW-JTSKRJEESA-N 463.556 0.503 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1831493862 XPKVQKGHGYTIQC-HTAPYJJXSA-N 491.570 0.703 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1831999335 TWPIEYVVEAFLDC-SBUREZEXSA-N 465.547 0.891 30 20 JCED COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1OC 1832098833 IDCGOBLVWWFUIZ-HSZRJFAPSA-N 460.483 0.181 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CC(=O)N(C5CCCC5)C4)CCO3)C2)CCC1 1832360217 PJIROLTUZNCUOZ-UUOWRZLLSA-N 458.559 0.928 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cncc(OC)c1)CCO2 1832908634 MSKIUGGZJDGDBH-RULWIFSWSA-N 472.542 0.338 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCc4ccccc4[C@@H]3O)CC2)CC1 1833332096 ARSKEMMQERGTOG-QPPBQGQZSA-N 453.539 0.942 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834240727 ZDJZBJOBAQHUPO-HXOBKFHXSA-N 475.546 0.407 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1835185891 UTNQPSAAPMQVNM-HSZRJFAPSA-N 486.550 0.739 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1 1835399746 LLLVVODRTUWIGY-CYFREDJKSA-N 456.543 0.716 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2)c1ccc(O)cc1 1835640316 PPIIUFMAVJDJOD-NLFFAJNJSA-N 483.569 0.186 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cc(CO)on3)CC2)CC1 1835768273 WBNCRFXTLPYDKD-KURUZVKSSA-N 463.535 0.881 30 20 JCED COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320648 IBZCVPSNJDUVOW-IBGZPJMESA-N 472.420 0.661 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836972917 JAELOYYGXSNIEY-DEOSSOPVSA-N 481.509 0.686 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1837397572 QPFCTTFIKMBPGR-AOMKIAJQSA-N 459.503 0.078 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1837527118 XJJKRLJPMLIXTK-XZYKOBSISA-N 464.544 0.969 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837529807 ZDINQWWOZIGKGW-HNSFORISSA-N 472.502 0.557 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C1)CCC2 1837530376 LJWPZJONEOQZAT-QWPYIFRSSA-N 475.546 0.508 30 20 JCED Cc1nc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)o1 1837531657 SETQHAZLPUMEMT-MYRHLRDYSA-N 450.492 0.890 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837658971 IWUHDBGSPCPAHG-NRFANRHFSA-N 468.501 0.955 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837924112 KSYUSSRWCLVOLF-WFIYKGMKSA-N 467.910 0.729 30 20 JCED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1838023198 XUKHMDMXPZPYCY-UHFFFAOYSA-N 455.519 0.618 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=Cc3ccccc3NC(=O)C1)CCO2 1838443463 QHYOOSJECBAAFB-UKDBKGKESA-N 494.548 0.727 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838904741 VINCITYOFHPUBH-NTKDMRAZSA-N 488.541 0.514 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210473 QIACDINZYIQSRT-MBSDFSHPSA-N 467.563 0.522 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)cc1 1839222404 MONIGMNEAWXZHF-DHJUGAMNSA-N 463.531 0.986 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839234359 IHNIHRMNTLWPME-HTAPYJJXSA-N 478.550 0.204 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1839388153 IEMVXZBYAGJGIG-IFXJQAMLSA-N 463.478 0.497 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(C)C(=O)CC4)C3)C2)c1 1839451309 MGVKIFFZSVYFTA-HSZRJFAPSA-N 453.499 0.545 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-c4ccc(O)nn4)cc3)CCO2)C1 1839469885 MULPNEZCORODGT-BVZFJXPGSA-N 480.521 0.958 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc6nncn6c5)C4)C3)c2c1 1839488263 HXFXGWSQPZEMGK-XMMPIXPASA-N 486.492 0.861 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839577992 KIYPSWDTKDLNPF-UZUQRXQVSA-N 490.582 0.769 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)O)CCO2)NC(=O)OC(C)(C)C 1840030017 YFQXWGLCAALOBE-DRSNIGMVSA-N 455.552 0.683 30 20 JCED CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043288 PHYZWHUSPQKJCL-NRFANRHFSA-N 497.957 0.454 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840142836 ZSVWBYIJOUFHIW-FCLRCFQESA-N 473.526 0.910 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c(O)n1 1840228208 HOCIJQHOKZMREO-MZNJEOGPSA-N 472.542 0.502 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2cnnn2)CCO3)c1 1840480960 WLHLWRMCWBCMFJ-DRSNIGMVSA-N 453.503 0.631 30 20 JCED CC(C)C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)N(C)C(=O)OC(C)(C)C 1840917964 YJBOUELNWJRCDA-HOYKHHGWSA-N 495.573 0.812 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC=O)C2 1846365975 IFBVRVIMJVPCDS-CVEARBPZSA-N 481.550 0.130 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C 1847262174 OLJGVIJAJWNTHI-QLRDQERUSA-N 478.546 0.503 30 20 JCED CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c1 11457941 CFUNPLLTEGQMSS-UHFFFAOYSA-N 453.480 0.882 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)cc1 498334931 IPYHOGYWMRLJMQ-UHFFFAOYSA-N 486.510 0.799 30 20 JCED COc1ccccc1N1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C2CC2)CC1 502047015 VBROSEMOQOTUFZ-UHFFFAOYSA-N 490.589 0.839 30 20 JCED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)NC[C@@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)c1 502062254 GLHXUSLOTRGJFM-IBGZPJMESA-N 492.561 0.389 30 20 JCED N#Cc1c(CCCNC(=O)NCCS(=O)(=O)N2CCSCC2)nn(-c2ccccc2)c1N 504364193 JYTNQQCOUHHMFA-UHFFFAOYSA-N 477.616 0.937 30 20 JCED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)c1ccc(C#N)cc1 505357615 MRXMYWZGFNYUPR-HNNXBMFYSA-N 477.568 0.983 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(=O)N(C)C 604270207 SWWREMZONCGUJH-UHFFFAOYSA-N 496.511 0.673 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O 608911212 SFOJCRWIFYQTJD-UHFFFAOYSA-N 467.370 0.345 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 614801863 URGXZQBBJLYRNV-UHFFFAOYSA-N 464.569 0.761 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC(F)F)cc2)c1=O 729673154 FPVQFXWWQURWMB-UHFFFAOYSA-N 483.518 0.337 30 20 JCED C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(=O)NCc1ccco1 744908693 WIKBLKCZPGAHIM-JYMIEJHZSA-N 475.527 0.852 30 20 JCED CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 749724156 ALEVLZVLSUULFB-KRWDZBQOSA-N 451.501 0.980 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(c3ccc(OC)cc3)CC2)sc(=Cc2ccnn2C)c1=O 914564815 FGRGNJCMCZFSDC-UHFFFAOYSA-N 492.605 0.914 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 915605278 AFQDCLIZFHQXCG-UHFFFAOYSA-N 454.552 0.916 30 20 JCED CN(CCCNC(=O)COC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)S(C)(=O)=O 919089106 ZFAFBAACFSYZDW-UHFFFAOYSA-N 493.542 0.964 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1286943098 SKDPGPMJDKVBAJ-UXHICEINSA-N 487.586 0.582 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1288705144 JTDDEGNQHFJRLL-IRXDYDNUSA-N 453.613 0.987 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1CCS(=O)(=O)CC1 1303830181 WWAIBQIBTHDNIQ-AWEZNQCLSA-N 458.610 0.843 30 20 JCED NC(=O)c1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 1338636394 JYUFEOIEZAIAJB-GJZGRUSLSA-N 450.542 0.573 30 20 JCED CN(C)C(=O)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1516961463 VEMWFRBVXVAACX-MRXNPFEDSA-N 453.569 0.219 30 20 JCED COC[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555236528 CNSDGCGSXZBOJW-NXHRZFHOSA-N 467.596 0.070 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1555818432 ZIYZFBPRWHDZGD-GOSISDBHSA-N 457.560 0.957 30 20 JCED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1556217364 YOLGDNCGNGDLTA-UHFFFAOYSA-N 458.544 0.820 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CCO1 1596634204 QEAYOXDXKKIXMD-DYESRHJHSA-N 453.547 0.879 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)N(C)C)c1 1596831230 KOGALKGSIRAGGO-LPHOPBHVSA-N 489.602 0.957 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CCN1S(C)(=O)=O 1613027117 VTSYMAMROSOKRI-QYWGDWMGSA-N 460.560 0.827 30 20 JCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1696336162 DKRASPYICXUVLM-QGZVFWFLSA-N 469.637 0.370 30 20 JCED COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1711885108 KSYBJMSMPKSXOK-GOSISDBHSA-N 462.532 0.630 30 20 JCED CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCNS(C)(=O)=O 1729058365 XSJKMQCIEGDXAV-UHFFFAOYSA-N 461.592 0.948 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@H]1SC(=N)NC1=O 1778080827 MLHOBDXSQLVHRA-KFTDNTNISA-N 495.602 0.832 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1779398320 MVGXDSFUZCVYDF-NNMXDRDESA-N 466.600 0.776 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779418387 WOLKSWQTMUXCOZ-YNZRTOFNSA-N 452.552 0.944 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)nc4cccnn24)C3)c1 1780179137 HGVLJONLDVUOFI-WZONZLPQSA-N 461.482 0.731 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781340509 PSPKJHQVALBXID-HXOBKFHXSA-N 483.562 0.601 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CC1 1781963089 AYNOPUDJOFAEFM-QFIPXVFZSA-N 478.546 0.812 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)[C@@H]1SC(=N)NC1=O 1782195446 ARVCCPGQLQPABX-KKYRWEBSSA-N 481.538 0.681 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1783270347 ZVFYMUJFZYEEQY-LLBQEJIASA-N 490.601 0.943 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1784505597 RUWXJVALTWDIQW-XTHUUODCSA-N 481.590 0.929 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1785224589 HDFKJCZJGICGBM-ICTHTSFCSA-N 479.530 0.531 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1785572555 MOKPNTVWKPWNJQ-GAJHUEQPSA-N 459.499 1.000 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1785574603 NQGPSKLWRAQKLA-JPYJTQIMSA-N 459.547 0.709 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccn(CCOC)n3)CCO2)C1 1785574800 SONSQVIRRVAEAZ-KOSHJBKYSA-N 489.573 0.890 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(C)(C)O 1785612292 GOEUBEFWRQXHBD-HXOBKFHXSA-N 475.546 0.994 30 20 JCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(N5CCCNC(=O)C5)n4)[C@H]3C2)CCC1 1785786282 CWIRVTCAZOVOPW-BJLQDIEVSA-N 480.569 0.695 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786370024 DKSWXXNNTWJDFW-QAETUUGQSA-N 466.535 0.726 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1788676814 LQGOXBUDMWDIOJ-OHGSTSPDSA-N 483.525 0.685 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)[C@H]2C1 1789848417 DHWTXQSSUGRNBI-DHHFMQQHSA-N 486.525 0.984 30 20 JCED CC1=NN(c2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)cc2)C(=O)C1 1791078897 GDGZKDYYTCZSAL-WDSOQIARSA-N 452.467 0.481 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1791261207 GWFUTXBCBFULNK-DVZHBHJUSA-N 456.528 0.482 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791278897 TUYZTDYJOWXJEH-XSLAGTTESA-N 487.619 0.870 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1792129115 LMGRXTFHHFGSPY-UFYCRDLUSA-N 462.591 0.932 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3)C[C@@H]21 1792255228 BFSGOIKLCRTZOF-MUGJNUQGSA-N 462.591 0.979 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C1 1792450215 FMMRNQHTQBKHTO-FYNHEXGPSA-N 475.586 0.997 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793043944 ZMOGERQFBFIKQE-RCJHGTSTSA-N 461.515 0.454 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1793592612 NISILKCYTPIKKU-UYTYNIKBSA-N 487.619 0.726 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnnn2C)N(C(=O)OC(C)(C)C)C1 1794231093 KGIRPZSCOYXANJ-DFGXFYAUSA-N 460.535 0.584 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 1797811111 HMTYKDWNACIUOQ-FSHWOVLXSA-N 468.514 1.000 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798435276 YFLZWWCVWRBOPC-OSVXTHCDSA-N 478.594 0.865 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798496777 HBELXXDXVBBCGW-MEUMQPQTSA-N 454.524 0.997 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnncc2C(=O)O)C3)c(C#N)c1 1799240058 YBMLYVUSEYFJGZ-VPTLXERWSA-N 465.466 0.501 30 20 JCED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)ccc1Br 1799535039 WVSRFPBNECYJMY-IVWMJMPLSA-N 451.273 0.749 30 20 JCED CCCN1CCN(c2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)cc2)CC1 1799856146 FYFIOHPLUBXDTP-IRJINJETSA-N 468.554 0.510 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H]3CCCS3(=O)=O)C4)c2c1 1799885323 AALNCMMOEQIPDC-LTCOOKNTSA-N 457.512 0.215 30 20 JCED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)cc1 1800281150 QXOLHSGPBMWHEV-OPMZPASUSA-N 465.466 0.460 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O1)C2 1800989299 IUUPGSNUOGHDCY-LWUSAIQQSA-N 469.604 0.919 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2)c1ccc(O)cc1 1801056209 NKPDRCPGNQOLPU-RAUDTWRRSA-N 471.554 0.129 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C2 1804370085 JVSGYLMWZGOYCT-JCECYMMASA-N 484.619 0.869 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc(C)c(O)nc1=O)C2 1804379578 UMFVWKZPMGWYIR-MHORFTMASA-N 487.557 0.812 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CN(CCO)CCO)[C@@H]3c3cccnc3)c2c1 1812071129 FHMROCOUBANHIG-YADARESESA-N 491.552 0.436 30 20 JCED N#Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)ccc1F 1819890484 LPRVNDGLSJIQJC-BTYIYWSLSA-N 473.530 0.959 30 20 JCED Nc1n[nH]c(CCC(=O)N[C@H]2CCc3nc(NC(=O)/C=N/O[C@H]4CCCCO4)sc3C2)n1 1819901420 FYCBVMJGARFULO-XKRYKJNBSA-N 462.536 0.917 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)sc2C1 1826643894 NEJBWZIKTAEHCU-RVSPLBMKSA-N 458.544 0.564 30 20 JCED CN1CCN(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CC#N)C3)C2)CC1 1829106127 YTVZGOJFAGFRBF-VWLOTQADSA-N 482.585 0.600 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCN2C(=O)OCc1ccccc1 1829124293 NZSKXBJWMBTPCO-KOSHJBKYSA-N 469.542 0.779 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352506 NVNKFSPXSJKEEG-UTSGNWPNSA-N 457.527 0.036 30 20 JCED CC(C)(C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)c1ncc(Br)cn1 1830940919 FZMBEIFQHBLDQP-LJQANCHMSA-N 466.336 0.887 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830959800 FUOPFEVSFOKRDP-NTKDMRAZSA-N 489.573 0.945 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)c4ccccc4OC)C3)C2)C1 1831386923 BYVWETBUYQERBW-AFMDSPMNSA-N 499.564 0.262 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)C2)C1 1831387958 NWUVDDZSUWGHEK-IEGUWTFLSA-N 467.563 0.642 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1831397472 RQURQZZSWZODLI-QZTZHPFYSA-N 475.517 0.439 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832004752 MCPAEYAGMIRAFW-DVECYGJZSA-N 477.558 0.492 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1832452961 MCXMXPMNUJULDS-ZBQZNYHESA-N 456.590 0.164 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4C(=O)c5ccccc5C4=O)CCO3)C2)CCC1 1832536234 ZNKFCOKKKVWGID-VWLOTQADSA-N 480.521 0.823 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CC(c4ccccc4)=NO3)CC2)CC1 1833436396 JIXHCSHQJJYJMB-NRFANRHFSA-N 452.511 0.839 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCOCCOCCOC)CC2)CC1 1833469448 XNQWMFJGDVXKJK-FQEVSTJZSA-N 467.607 0.666 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(OC)cc1F)CCO2 1833634242 FRCBZPVDMZQNFY-QFIPXVFZSA-N 465.478 0.809 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)c1 1834560663 OCKVWIHAALDJBE-VWLOTQADSA-N 492.536 0.201 30 20 JCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)CC3)CC2)CC1 1834599986 KMRBASPQNJHAGZ-HNNXBMFYSA-N 468.558 0.868 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1834723342 OULFAOYVKJJUOI-JTSKRJEESA-N 451.520 0.597 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3nnc4cc(C)nn4c3C)CC2)CC1 1835339549 WJBHYTLTHAZPSV-WAYWQWQTSA-N 494.600 0.785 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1835678139 ZMCDVBDDZXCBNG-OAQYLSRUSA-N 451.474 0.712 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1835714103 WXRYYQAPQWWPEG-LEWJYISDSA-N 481.590 0.626 30 20 JCED Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1835988972 CEWOMHBJHKIRDK-BTCHJHNJSA-N 463.535 0.338 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4Cc5ccccc5C4=O)CCO3)C2)CC1 1836590786 FKDYQHZBXVRSIJ-DEOSSOPVSA-N 452.511 0.793 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837048555 GTGQQIXGQCRZPQ-OAQYLSRUSA-N 462.528 0.975 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cnccc4[nH]3)CCO2)C1 1837102839 NQUWORBRTBKQRW-HSZRJFAPSA-N 454.531 0.915 30 20 JCED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c2c1CCC2 1837443273 BJGUEGJHVYOMGJ-NHMXVPMISA-N 458.563 0.451 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445069 BBIHAYWDUPRTHJ-DHNIJCFSSA-N 450.536 0.424 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837529018 OQRZJPYHBIBSQQ-JPHKLTHBSA-N 461.519 0.428 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nc2nccn12 1837529962 HGRFBHULVIGRGN-ZWGHOPNTSA-N 486.529 0.637 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1838195605 QBEAXWHUXPBQFC-FPHRNUPISA-N 475.546 0.747 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838366713 VVIWTLYYPAGFQJ-HXOBKFHXSA-N 491.545 0.722 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1Cl 1838598695 YGDBSPYBFWEBRB-QFIPXVFZSA-N 484.900 0.484 30 20 JCED C[C@H](CN)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131235 SYHDBYUVWUAKSX-HOYKHHGWSA-N 493.605 0.578 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1839175325 CCEQLESSLGGJHH-QHCPKHFHSA-N 459.499 0.365 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1839186096 ZMBNOBXUVNYXAJ-HYFFOGBASA-N 455.552 0.683 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839222040 ACJMQAYOOGYBBL-DRSNIGMVSA-N 486.566 0.129 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424270 XLPHUCZCXJSDPG-SIKLNZKXSA-N 478.933 0.433 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc(C)c(C)[nH]c4=O)C3)C2)c1 1839451269 JMVGBFMVCKGFQT-DEOSSOPVSA-N 465.510 0.951 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(S(C)(=O)=O)ccc1F)CCO2 1839477216 CXWJWODRWUCCET-OAQYLSRUSA-N 452.504 0.713 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCc5cn[nH]c5)C4)C3)c2c1 1839487757 WDCBZPMYEMHQNJ-HSZRJFAPSA-N 463.498 0.860 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)Cc4cccn4C3)C2)C1 1839810418 WNABWQWRXFXYBS-UQBPGWFLSA-N 486.569 0.945 30 20 JCED C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1840028826 KNDYHAKMDSLTON-ZSDSOXJFSA-N 475.608 0.425 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]13C[C@@H]1CCN3C(=O)OC(C)(C)C)CCO2 1840039570 YSUAHFOXSMNWKG-DRTRNHDVSA-N 491.585 0.881 30 20 JCED Cc1cc(CCCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c([N+](=O)[O-])cc1F 1840040074 NIZZOPDOUNFDHY-HSZRJFAPSA-N 491.472 0.909 30 20 JCED CC(C)(C)OC(=O)NCCCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040102 NYRTXTZKHZIOBD-JOCHJYFZSA-N 467.519 0.226 30 20 JCED CC(C)[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1840107840 MIIQBFUNYCXFBM-GAJHUEQPSA-N 481.546 0.470 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1840293275 PTLUIAPZDHEIFC-MBSDFSHPSA-N 467.563 0.522 30 20 JCED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)cn1 1840465795 UIMCRZHTSLBWSI-HSZRJFAPSA-N 455.490 0.672 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818653 ODWSIOVIRFYVMJ-HSZRJFAPSA-N 458.515 0.308 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1840820625 AXQSNSWAKSBYAE-AVRWGWEMSA-N 479.537 0.922 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1840908158 BTIXKPZIBYJBLU-FHDOQAETSA-N 493.601 0.911 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1841961192 FNWBSIYCQBGIFE-OAHLLOKOSA-N 488.545 0.329 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235173 GTRZDZLHYSJPDS-CQSZACIVSA-N 486.533 0.489 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1847089284 OWTSPTYCKGYPHI-KRWDZBQOSA-N 485.541 0.909 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1=O 26640555 CWGFTSMHTRNYIQ-UHFFFAOYSA-N 453.499 0.096 30 20 JCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Br)ccc2OC)c1=O 489180041 PILYMKDRUVAYTG-UHFFFAOYSA-N 466.357 0.966 30 20 JCED CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 517410828 OFCMITKXCZRDRA-UHFFFAOYSA-N 469.502 0.719 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C1CCN(C)CC1 517977251 SUOXENVURITZTE-UHFFFAOYSA-N 461.613 0.679 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1C1CCN(C)CC1 518726141 UYRBGFRFWJHGKX-UHFFFAOYSA-N 486.594 0.459 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 518905505 HPECEXSUQUSOER-UHFFFAOYSA-N 492.460 0.967 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3cc(S(=O)(=O)N(CC)CC)ccc32)C1=O 523003633 SQFSKZLXKRILTR-UHFFFAOYSA-N 462.528 0.973 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(=O)N(C)C 604270560 ZIJZTHXSYOQQAB-UHFFFAOYSA-N 490.969 0.452 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccn1 726182000 IDNYDNJZLFFVKF-UHFFFAOYSA-N 466.567 0.327 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cn1 726577155 KHDBMGGAIRSIBH-UHFFFAOYSA-N 499.618 0.847 30 20 JCED C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(S(=O)(=O)N(C)C)c1 727408741 HTPKJKQUSVZWBP-ZDUSSCGKSA-N 450.542 0.853 30 20 JCED N#Cc1ccc(N2CCC[C@@H]2C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 728345812 RLHWNMHAMNPYLV-WOJBJXKFSA-N 460.556 0.402 30 20 JCED Cn1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccc2c1=O 748358627 VSLBTAWAUBSZQQ-UHFFFAOYSA-N 495.517 0.495 30 20 JCED COC(=O)C1CCN(C(=O)[C@@H](OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 877730411 ZSUYZPHURSYBGX-SFHVURJKSA-N 465.528 0.705 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc4cccc(OC)c4o3)c(=O)n2CCOC)CC1 917356376 VZIHOQGZLWYVFH-UHFFFAOYSA-N 496.589 0.978 30 20 JCED C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)c1 917921179 OJHFBDJLYYIUHJ-QFIPXVFZSA-N 470.507 0.990 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)CCC2 920396748 NASGRRAPROREDN-OAHLLOKOSA-N 463.563 0.775 30 20 JCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1309142627 SOFFQNXVQSLOTR-UHFFFAOYSA-N 451.574 0.840 30 20 JCED O=C(N=C1NS(=O)(=O)c2ccccc21)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1338290881 VDDXAJBJKWSANX-ZDUSSCGKSA-N 475.504 0.889 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503406858 QCJOPLUWOBDXTA-IBGZPJMESA-N 454.560 0.885 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1COCCO1 1510222107 VUPYURIMWYGKNO-FUHWJXTLSA-N 475.575 0.502 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)[C@H](C#N)C1 1532608423 YDVUNZCMEHCDFN-CQSZACIVSA-N 454.505 0.886 30 20 JCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539594334 JDEFIKIPSFSGAT-AWEZNQCLSA-N 452.357 0.538 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1596675654 WBVZCVYUZNXUQW-NZQKXSOJSA-N 469.546 0.137 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1612978165 MUHAPKZFVIXYSP-MRXNPFEDSA-N 461.544 0.894 30 20 JCED CCCNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1614953502 LOWQDHCLGLJYIS-KRWDZBQOSA-N 480.577 0.807 30 20 JCED N#Cc1ccc(N2CCC[C@@H](NC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2=O)cc1 1633898325 ZTSRCUCSEBYCRI-RTWAWAEBSA-N 453.543 0.883 30 20 JCED CCCNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1728196216 VDJSAULMMYMUAW-UZLBHIALSA-N 467.596 0.657 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1730764207 RUOCBWFXEMISMO-ZWKOTPCHSA-N 452.581 0.805 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740739697 YCLPKSABAHQQKE-JSGCOSHPSA-N 458.386 0.973 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1760695871 NRHVCZHGCKHBGH-HOTGVXAUSA-N 457.626 0.256 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)[C@@H](O)C1 1778364424 WRRDHZJJIKOZHL-WQTXXOFMSA-N 450.536 0.738 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778791600 IEIKKNQRBUXEOW-JFOHNERASA-N 496.561 0.350 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066830 HZMJIOKETVLUCH-UQBPGWFLSA-N 468.554 0.728 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1)c1ccccc1 1779185920 YENCGDHZQYLXLV-RCZVLFRGSA-N 487.622 0.744 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779397732 UYMKMCZSWGWITB-ZWCUEREDSA-N 465.547 0.263 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1779553611 HQYGFDDXPBZOOF-GERDLCKQSA-N 451.568 0.123 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1779984556 UGCYSGCQEXNORR-QHCPKHFHSA-N 463.450 0.029 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)CC1 1781170169 SLKJKHVICQJKAB-HSZRJFAPSA-N 477.562 0.623 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(C)C(=O)C(=O)O)C2)c1 1781546490 OXWVQUPCKLVIDL-LSRZYVKLSA-N 470.526 0.984 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)cc(C(F)(F)F)c1 1782030675 CCGRIIKYKOVVHR-FOIQADDNSA-N 479.415 0.619 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2C1 1782349995 INGKMXGKWSDXSA-RUZDIDTESA-N 498.536 0.906 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1783576195 VCLOKQZKIHLCRD-IUUWJXCHSA-N 462.547 0.763 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3c(I)cnn3C)CCO2)C1 1783892510 BXZACSVFJKNVTQ-BONVTDFDSA-N 464.329 0.787 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)C13CN(C(=O)OC(C)(C)C)C3)CCO2 1783920583 FZANNWSILMIVFX-VGOFRKELSA-N 497.614 0.817 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783991026 UDJPXIDQFPATSF-VJANTYMQSA-N 469.579 0.835 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(C)C(=O)CC4)[C@H]3C2)c(C#N)c1 1784983506 RDJCSLUXFHUGJA-LRQRDZAKSA-N 467.526 0.697 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786747162 WJXDTHJDARBPGH-TUFLPTIASA-N 492.617 0.605 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788557622 UMJHKWBRVNHQBQ-SEWASEFWSA-N 475.546 0.311 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789883740 DLPLOCJDLZXPEL-TXTZMMAHSA-N 450.536 0.017 30 20 JCED O=C(COc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1790590636 WSHYIMVDWHSEBB-HYVDPFPHSA-N 463.491 0.070 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ccc(Br)cc4n3)C[C@@H]21 1791076443 DTWOMTDGMCVXJP-NOLJZWGESA-N 475.299 0.778 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791683289 VLUYTUHWSDHLSR-TXTZMMAHSA-N 477.566 0.683 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)C2 1793340475 XJITWMAYQUJDEW-YDGKCNFYSA-N 460.527 0.883 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)c1 1794318504 NAJPAEWUXFDKRH-HATOLVCRSA-N 468.535 0.803 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccc(O)nn2)C3)c(C(F)(F)F)n1 1795999264 GSJSKQHXPHYIHT-KSPBDQMDSA-N 492.414 0.750 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnc(-c2ccccc2)o1 1797817634 UGWPCOUNUDKQKD-PNVVKLOMSA-N 451.483 0.798 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1799232720 YHKYYRXEPWFAIZ-IPLXSBJHSA-N 476.574 0.409 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)nc1)C2 1799304153 QJUZZAZZPXMXOE-RMFSNUHRSA-N 453.499 0.980 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccnn1 1800264130 UZVVKVHXLIQMAV-DFBDCSAJSA-N 462.551 0.898 30 20 JCED CC(C)(C)OC(=O)N1[C@@H]2C[C@H](F)[C@H](C2)[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800733614 LJDOOYQODRZAEN-WGBDHRSASA-N 479.505 0.400 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2)NC(=O)OC(C)(C)C 1801931531 MZMCBOXUENESLY-NJHADGRTSA-N 466.579 0.158 30 20 JCED CN1N=C(C(=O)NC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)CCC1=O 1804120712 XOLGKBXCPABGRX-FXAWDEMLSA-N 453.547 0.977 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)CN4C(=O)CNC4=O)C3)CC2)c1 1806587413 NCYNOEFNJRDBDJ-UHFFFAOYSA-N 453.499 0.963 30 20 JCED NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1807049313 ZPROYAVXBDTLID-CNNODRBYSA-N 455.559 0.379 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1808845818 OZICAXPSWVDUTR-SIXWZSSISA-N 466.502 0.933 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811192603 WIOXUPMBEPRSSR-JXFKEZNVSA-N 466.498 0.800 30 20 JCED O=C(CN1C(=O)CNC1=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1815597820 WKPYOVQHTOSJEB-YMOVRCEQSA-N 461.479 0.483 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCN2C(=O)OCc1ccccc1 1828984006 XNTBJTBRYCYRCT-RUZDIDTESA-N 480.569 0.692 30 20 JCED CN1CCN(c2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cc2)CC1 1829693722 UZFZMASDIXIBKJ-SANMLTNESA-N 466.582 0.922 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1829770002 BENYBEBSEKVBLO-YLNCNTMDSA-N 457.531 0.076 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)OC)C2)C1 1829773161 CEJUIJPCICHTRA-SIAHLLIGSA-N 475.542 0.057 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)CCO2 1830838730 UYOJLNQGYNTTNU-VWLOTQADSA-N 467.522 0.471 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OCC3CC3)C2)C1 1831391519 PQFRBUNVZKUKGQ-MHECFPHRSA-N 457.527 0.979 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(NC(=O)OCc4ccccc4)CC3)C2)C1 1831392953 RRPCEKMNVHVXCI-CJFMBICVSA-N 499.564 0.940 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1831397680 VWQXXRXRFLQBSU-GQOCTPOGSA-N 475.517 0.498 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1831404599 QUNBMJMNGNJENA-YADARESESA-N 499.605 0.701 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)c1 1831463488 JRMLFPBLYZASDP-JTSKRJEESA-N 463.556 0.617 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(O)ncn5)CCO4)C3)c2c1 1831737378 YRNXYNGXXIUMFY-QFIPXVFZSA-N 463.454 0.314 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1832000392 NSIOAVVOPLJFAA-HXOBKFHXSA-N 491.545 0.722 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1833272488 OSDOUKXQUVUZLH-GOSISDBHSA-N 463.579 0.747 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1833334727 KKAIPGOUNANDTI-VWLOTQADSA-N 484.553 0.809 30 20 JCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833427783 WOAKHVDTYWOXOU-QGZVFWFLSA-N 467.570 0.978 30 20 JCED CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1833662936 JNMKPZWHRIFYBU-XTVKVDEJSA-N 458.563 0.689 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)c(O)n1 1833696336 DGCWMFVDIYXQFB-VWLOTQADSA-N 495.536 0.784 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833883049 JQHBGQCLPBIIAV-UZUQRXQVSA-N 492.577 0.745 30 20 JCED COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834128460 CVZUAMCOJHZPBZ-PBPYGMEZSA-N 462.503 0.689 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1835101467 BPRMJZSFVMCIRM-TVZXLZGTSA-N 465.550 0.896 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H]3CCC[C@H]1c1ccccc1N3)CCO2 1835503725 JDSMJVLUGGFOGA-JVAYHFFQSA-N 467.522 0.909 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1835682757 VBOLCWYCRRZVMD-HSZRJFAPSA-N 472.521 0.825 30 20 JCED NC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccccc1 1835816718 LIPFGQROVILGHI-VJPTWTESSA-N 457.575 0.657 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)ccc12 1836253997 PARUTQLVSHRUID-VWLOTQADSA-N 480.521 0.994 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnc3[nH]1)CCO2 1837003182 TZMZQCAZVWCBNP-UZQCKINESA-N 453.499 0.491 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1837440169 DLUBHHFXZFLECD-NHMXVPMISA-N 469.546 0.359 30 20 JCED N[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1cccnc1 1837442406 XEPMHWOXPLKLCS-DWYFBBQQSA-N 458.563 0.400 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1837524657 DVMQXWFJRSFJQE-KKRXVXNVSA-N 450.467 0.820 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525755 PBNVAGYEDVQHDH-WICGUQQKSA-N 489.573 0.977 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837676469 LCFHKQJQRPKWOE-XDHUDOTRSA-N 472.542 0.942 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3C(F)(F)F)CCO2)C1 1837957959 SJJGKODWKOVGCO-KUHUBIRLSA-N 458.437 0.547 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838436485 IMUVQJKQRJBSDO-MWTRTKDXSA-N 456.499 0.387 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)c1 1838732317 KVNWRZACDTUSJL-QFIPXVFZSA-N 454.487 0.105 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1O 1838739884 AJBPVXMHNKBFQO-HSZRJFAPSA-N 467.482 0.934 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C(=O)OC)s1)CCO2 1839033896 DUMYHRHHKWHDLM-KSEXMQBYSA-N 491.566 0.392 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4C)C3)C2)c(C#N)c1 1839131587 MNMJHBHEFKJLBI-RUZDIDTESA-N 480.521 0.578 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1839222801 AVUOYBZBYNFLHL-KKSFZXQISA-N 482.559 0.356 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cc1 1839362127 YSVXIHRGDRENFW-QHCPKHFHSA-N 452.467 0.943 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c(Cl)c1 1839422739 KUCVEOOSWKBRSN-QHCPKHFHSA-N 486.912 0.597 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c1 1839452027 CUGRXIKIVSOHSW-NRFANRHFSA-N 454.443 0.882 30 20 JCED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488104 XHOLRPFYBBHBJF-HSZRJFAPSA-N 468.514 0.277 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C2)C1 1839809694 IBVTZTKSXOYLOP-OIMFZILRSA-N 463.531 0.100 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1839873930 NBRGQZLEOGKLKJ-CEXJFXJFSA-N 482.578 0.437 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1839888802 JZZQMVNNCNKOLJ-HXUWFJFHSA-N 467.473 0.298 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1839890372 WRLFVHHZKVZIIJ-NRFANRHFSA-N 467.517 1.000 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)CCO2 1840038193 MNBQLMZUVJOETF-MUCNXURCSA-N 463.531 0.100 30 20 JCED COc1cc(F)c(Br)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043717 PVABMQBTPSXLBH-HXUWFJFHSA-N 499.289 0.755 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044058 JPNGUKQJFVXTIX-GGUMNFRJSA-N 493.557 0.614 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840204482 SUUDXHWLCLHVEZ-HXUWFJFHSA-N 484.431 0.072 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1)c1ccc(O)cc1 1840220216 CIRBTJBJEMPVLO-WOVHNISZSA-N 483.565 0.872 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1840806635 YWFKAZUDNCIJSG-XMMPIXPASA-N 478.590 0.409 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840817987 DWDHXHSKQLEEML-HSZRJFAPSA-N 451.483 0.426 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1840916661 WJSTZBLBCADQOU-RHGYRFJNSA-N 497.589 0.145 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2 1841601925 JCKLIQWAODXUDW-ROUUACIJSA-N 478.590 0.990 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1845130772 HUGAHIRPLLPJHB-DLBZAZTESA-N 480.562 0.951 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)=NO2)C1 1846103180 XYLMRSZWMWSUGP-QFIPXVFZSA-N 460.487 0.434 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)Cc2nc(O)c3cc(OC)c(OC)cc3n2)C1=O 556940625 AIXSPUWFPSWLLL-UHFFFAOYSA-N 457.443 0.678 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 589755757 AZTPYOIYXAMGNA-UHFFFAOYSA-N 470.595 0.588 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)c(C(F)(F)F)c2)c(=O)n1CC(N)=O 608971848 TWLLWSIUNLBTTE-UHFFFAOYSA-N 470.860 0.849 30 20 JCED COc1cc([C@@H](C#N)NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC 609006978 ZVLVVTQXQVTSHW-CYBMUJFWSA-N 456.459 0.231 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1C1CCN(C)CC1 609220209 OIRDFIBGRVUPLJ-UHFFFAOYSA-N 458.559 0.890 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(OC)ccc1OC 726577370 KXVRXONYIZEVAZ-CQSZACIVSA-N 483.550 0.304 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2Cc2ccccc2)CC1 839230280 NBZKJDGWZUENGM-UHFFFAOYSA-N 462.579 0.359 30 20 JCED Cc1nc(C)c(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(O)n1 915465965 AVXXOOMVFBZZOZ-UHFFFAOYSA-N 473.511 0.290 30 20 JCED CN(CC(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)S(=O)(=O)c1cccnc1 917505301 LRZDSCWKOZDHGE-IBGZPJMESA-N 481.538 0.996 30 20 JCED C=CCn1c(CCN2CCCCC2)nn(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1=S 918181613 QRAVJBLANYQYCM-UHFFFAOYSA-N 489.646 0.879 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)C1 1287054103 PSBUJAKESRLXFE-ZWKOTPCHSA-N 489.577 0.980 30 20 JCED C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CC1 1288904505 JDMZSQIZPARTIW-NRFANRHFSA-N 460.560 0.971 30 20 JCED CC(C)NC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1303425498 OJUBAOAKVZSQAP-QGZVFWFLSA-N 475.575 0.839 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1316089355 FKSNPROEPSORFV-UGKGYDQZSA-N 475.571 0.856 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1617384499 LSJYHBFGCKPGAF-UHFFFAOYSA-N 468.543 0.412 30 20 JCED N#Cc1cn(CCNC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)c(=O)nc1O 1668919660 OJUXEKMTDNHOLI-UHFFFAOYSA-N 451.487 0.929 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1698319884 RNHDMJOXOBXMTQ-UHFFFAOYSA-N 487.586 0.727 30 20 JCED Cc1cc(C)n(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)n1 1707840078 XIULYOOUFJAIKU-HKUYNNGSSA-N 475.623 0.969 30 20 JCED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cc1O 1711836119 FTEBXTGKMQUMIA-WMLDXEAASA-N 475.575 0.827 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1741133782 ULCZTHKVXWQGPR-CRAIPNDOSA-N 462.580 0.716 30 20 JCED CNS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1748291364 VUSWAEGDLAEUAT-LJQANCHMSA-N 486.602 0.873 30 20 JCED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1766263856 VIGBROLKWNTMQT-UHFFFAOYSA-N 462.514 0.911 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cnc2c1 1777995505 QTFXJFZYIFOPBF-ZDXRRBIGSA-N 466.542 0.918 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1)c1ccccc1 1779190429 HFYDYJOGEOPJRJ-DVECYGJZSA-N 455.511 0.557 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1)[C@@H]1SC(=N)NC1=O 1779422338 DCJNOYVBLUIBAM-CVJLGGGVSA-N 495.602 0.832 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1781271296 KMZNDTWEKQDQIB-DEOSSOPVSA-N 456.543 0.723 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1)C(C)C 1781387639 XRDDVEBBRNVLEE-SGXKBVARSA-N 463.535 0.102 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781421765 UAKAIAXIHLXRHE-FDDCHVKYSA-N 474.562 0.805 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C(C)=O)CC1)CCO2)c1ccc(O)cc1 1784019031 UPTBYLICGJIQBP-KCWPFWIISA-N 496.608 0.883 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784354606 ABPLEZFRZISNFD-HOYKHHGWSA-N 499.524 0.056 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CC(N)=O)[C@H]2C1 1784604827 PYYADYVPGQCPSN-IROFKAFKSA-N 478.590 0.947 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3c(=O)oc4ccccc43)[C@H]2C1 1785191178 AVQQSPDDYMMSMR-VWZTXQRKSA-N 482.537 0.823 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1786859390 FYUGEPYWQATFOK-HVTWWXFQSA-N 459.591 0.649 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cnnn4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1787093418 NLGFZOMLGHFLFG-XSLAGTTESA-N 475.550 0.218 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1)NC(=O)OC(C)(C)C 1788557215 HXFYQZNKSJXXPO-DFGXFYAUSA-N 477.562 0.702 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1788574801 MUSBZWMCVJTJPA-LNMJFAINSA-N 459.547 0.183 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1789768820 KMSWNSCUQRGLTI-AJDMMMGESA-N 476.574 0.896 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789839763 FWOUBMRGWGKPLL-OQRYQMPQSA-N 492.598 0.417 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791690668 ZIOLYRQLJMAEJY-ICUGJSFKSA-N 475.550 0.130 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794320818 IJKZKEUOEYHWOA-NYCLONFESA-N 452.533 0.489 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)n2)N(C(=O)OC(C)(C)C)C1 1796358581 ZQFZVXGLWSCOFD-KPEUIFRASA-N 489.529 0.657 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1snnc1C 1796593614 PEUQIDQBWZCAAU-QKPAOTATSA-N 463.560 0.966 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1797217912 CINLNNSCYGHHSP-ZGTWVAKBSA-N 476.574 0.691 30 20 JCED Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(C#N)c[nH]3)cnc2s1 1798692373 KIYOUYRQJZPROJ-XOIINTDNSA-N 452.496 0.781 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCN(C)CC1 1799180735 JCRZSILIYKYVSZ-AFDCHOCNSA-N 493.649 0.681 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)c(C#N)c1 1799239966 RPBZPAJZVVSWDA-VPTLXERWSA-N 453.503 0.032 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1799394142 XYSSYMGDFBTSBW-AYMMHLMVSA-N 484.557 0.884 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(N4CCN(C)CC4)CC2)C3)c1 1799800308 MNMDZTRTCMVZJC-KOUNCHBCSA-N 451.571 0.850 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1801372619 GAGJHWRCSCAQMW-XZWCOCNFSA-N 469.538 0.978 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2 1802125841 XTSRXWWMWYVVAI-AXVVYFOYSA-N 482.541 0.849 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCC)NC(C)=O)C2 1802126264 JPRIWZAJWAVHKG-UJMXGEILSA-N 478.590 0.797 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)c(C#N)c1 1808167708 WBWQVUMYSULNRS-XZOYJPPVSA-N 478.553 0.803 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809669794 XGICUTKIQQSGIP-FUDKSRODSA-N 471.602 0.825 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810093531 GPJNRZRIUQPNFN-ZHSKZQNKSA-N 477.518 0.681 30 20 JCED C[C@H](CN)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828954100 KUVDVXIHMVFCTP-UZUQRXQVSA-N 456.499 0.121 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCN2C(=O)OCc1ccccc1 1829012780 DMUOEUPWKKIAIM-JOCHJYFZSA-N 451.487 0.644 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1829267710 ZHGHCGFYFJKMQY-DEOSSOPVSA-N 479.493 0.646 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)C(=O)O 1829632254 SDNVFOMRVJZHRI-AUSIDOKSSA-N 458.515 0.010 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)c3C(F)(F)F)C2)C1 1829766309 QZKOSAFAPHBWCY-BBIZLLLXSA-N 485.463 0.367 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)c2ccco2)CCO3)c1 1829826030 OZKUFMUZLIXDIQ-NFBKMPQASA-N 455.467 0.963 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831466563 QFZNAQRZEOZJKP-HTAPYJJXSA-N 479.555 0.074 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1831486770 HJGLZGNDCLXNKI-GHTZIAJQSA-N 485.628 0.651 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c(O)n1 1831565834 YYKNCYMOURTXGG-JTSKRJEESA-N 460.487 0.084 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1832456868 ANAZLNQHXGCKPV-NRFANRHFSA-N 450.561 0.914 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832794075 ZNSHDQGWYWEYFG-FQEVSTJZSA-N 451.480 0.231 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3nc(O)n4c3CCCC4)CC2)CC1 1833074937 HLCARABBRQEMJW-SREVYHEPSA-N 484.601 0.969 30 20 JCED CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)o1 1833902334 GJMJLMKNSVFUGN-DKQKECBASA-N 465.507 0.340 30 20 JCED CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)CC1 1834624972 UNKZHMCOFPDIAU-LTWSARMESA-N 492.665 0.725 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(C#N)cc3)CC2)CC1 1836287414 RCIRQRCNKGUAJW-JOCHJYFZSA-N 455.559 0.895 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c(O)n1 1837249450 CNEXCMVYYLUZST-JRUKXMRZSA-N 484.553 0.811 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1837309004 HAJDFNHWCPGTQB-QPPBQGQZSA-N 462.591 0.375 30 20 JCED COC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837432878 RWCWUCAQERBGCZ-NRFANRHFSA-N 453.612 0.850 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446973 LHTKGJCALPWWIW-JKJLQIMHSA-N 481.594 0.829 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838063126 UVCKEYOFKFHTHW-IVZQSRNASA-N 479.534 0.655 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)cn1 1838905855 CHFFDPGKJOKZEA-XMMPIXPASA-N 498.561 0.882 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044627 PBMPLBYEIXZDQG-KSFYIVLOSA-N 462.572 0.560 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)N1CCN(C)CC1 1839101105 JZRCPZIEJWTGDD-CJFMBICVSA-N 489.016 0.784 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)N1CCN(C)CC1 1839101106 JZRCPZIEJWTGDD-CPJSRVTESA-N 489.016 0.784 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1839174035 BNELHGWYGNLGAT-HXUWFJFHSA-N 452.895 0.709 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C)cc(C#N)c4)CCO3)C2)nn1C 1839453003 IUXSMFKZMZOEPG-HSZRJFAPSA-N 453.499 0.993 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839647495 IOFVMCDSQFFOJG-LQQSXHKESA-N 452.508 0.012 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1839716521 OGTXDESOJMOBLT-AREMUKBSSA-N 483.565 0.961 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1839738948 LFDDOFYUQRPOSG-UZUQRXQVSA-N 460.531 0.655 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)CCO2)C1 1839801163 XVVFQGYJRBYUFD-YADARESESA-N 492.594 0.517 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C2)C1 1840041410 LIXWGVVWZCXNJN-HXUWFJFHSA-N 454.401 0.792 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840055392 RTIOQNIUNTXCQN-UUOWRZLLSA-N 493.557 0.313 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1840159136 XERVIFNVUQDMOC-GCKMJXCFSA-N 467.613 0.871 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1840162005 JGFKOIBENYKDDM-IQMFZBJNSA-N 485.566 0.885 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840168966 AUQKHBRFGVWQEQ-JPYJTQIMSA-N 467.563 0.522 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1840202295 LLCNZPYNANXHPZ-HXUWFJFHSA-N 453.417 0.173 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(N5C(=O)C=CC5=O)cc4)C3)C2)CCC1 1840816313 XIIDMHCOWKSCFR-RUZDIDTESA-N 478.505 0.880 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840879989 RGWVVBALKSXIEI-XPVDNZQDSA-N 460.483 0.311 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1840882315 DZSCOJRSBFRMCA-VGOFRKELSA-N 469.535 0.475 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1 1840908795 HDDCNSXJTJWGKE-HOYKHHGWSA-N 480.606 0.748 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO3)C1 1840915320 PCIQRVGQASKQAC-SBUREZEXSA-N 480.562 0.178 30 20 JCED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1841610792 DUGZQTPLGYBJCW-OAHLLOKOSA-N 485.545 0.921 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842058743 BVZVCLJYMHPVIU-INIZCTEOSA-N 454.527 0.895 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 494522042 WEUSUTXUFHBQNC-UHFFFAOYSA-N 463.541 0.155 30 20 JCED CSc1nc(O)c(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1C#N 507024748 SGYQRWZANPSNFZ-STQMWFEESA-N 455.562 0.493 30 20 JCED Cc1ccc(F)c(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)c1 521568087 ZECAQLIZTACRRU-UHFFFAOYSA-N 453.499 0.442 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O 524281174 KDSBLDVUYAGDMU-UHFFFAOYSA-N 454.552 0.744 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(OC)nc1 550121874 AKOPUVHUHOJIDC-UHFFFAOYSA-N 471.564 0.723 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CC1 590998483 KCKKNWAHPMORKX-UHFFFAOYSA-N 469.523 0.104 30 20 JCED Cn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604118541 KDVZDBKOOZMLPM-UHFFFAOYSA-N 497.554 0.763 30 20 JCED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)cn1 727161376 XNGREXGPHNOQQJ-UHFFFAOYSA-N 453.499 0.872 30 20 JCED CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)OCC(=O)NCC#N 731241241 TUBIMBACKVMBRM-SJCJKPOMSA-N 472.951 0.918 30 20 JCED CC(C)CN(C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 769792749 KCHNCGCKQOHHTG-MRXNPFEDSA-N 471.557 0.051 30 20 JCED CN1CCN(C(=O)CCNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 916693031 LJZAOORBGLUVCA-PTGBLXJZSA-N 450.565 0.785 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C(N)=O)cc2)c1 918263813 MDDAJBZMBRCUPX-XIEYBQDHSA-N 457.512 0.853 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3nncn3C)C2)cc1 918438306 IWEUOSLBXVLRDC-OCDBCJEZSA-N 473.559 0.973 30 20 JCED C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)n1 919746244 YZYQKGSQBIPLLX-UHFFFAOYSA-N 472.556 0.942 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286542313 UOCVQFOIENENHX-ZDUSSCGKSA-N 496.453 0.949 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCS(=O)(=O)C1 1298133031 JUAOEMJBOQZHLR-WMZOPIPTSA-N 478.600 0.722 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1316101454 IYNLIIRWGINRJZ-INIZCTEOSA-N 459.594 0.371 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CCO1 1359447351 UNDFIZXRXMXIBF-DYESRHJHSA-N 453.547 0.879 30 20 JCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1459748417 JEHKKWXDKSGZEI-OAQYLSRUSA-N 458.588 0.557 30 20 JCED C[C@H]1CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1494532041 WFDCKQOSFQIUHJ-XMTFNYHQSA-N 452.581 0.408 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 1503405403 JDMMRXLHWNCWSW-NVXWUHKLSA-N 494.599 0.359 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1504528113 KJQAXQWCDAMAEQ-KZNAEPCWSA-N 468.580 0.402 30 20 JCED C[C@H]1CN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1512519796 ITZCMHKBRMMZCT-YVSFHVDLSA-N 455.585 0.116 30 20 JCED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1547313890 SFBKUDWKADTVOI-UHFFFAOYSA-N 450.547 0.696 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1589405266 QBMHOXKLZQPKKW-KBPBESRZSA-N 464.386 0.992 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1611707851 ZSJNNFVDBLALQE-KBXCAEBGSA-N 490.565 0.843 30 20 JCED CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1706027639 WPRYZOYLUJLRMK-IBGZPJMESA-N 467.530 0.692 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1730789317 RYUZKCJEQOOICZ-LJQANCHMSA-N 473.603 0.867 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCOC2)c1 1768523489 JXIHLWKZKNIGTI-PMACEKPBSA-N 464.523 0.789 30 20 JCED COc1cccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1770303539 LVGZWCLZHCQOAT-WMZOPIPTSA-N 474.543 0.348 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1780158974 RZNVRDJEBBHIKS-VOVIXQRCSA-N 489.525 0.808 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1781089360 JZQMHTBRHZYZDF-OIMWQHCXSA-N 498.552 0.980 30 20 JCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3C(=O)N(Cc3cccs3)CC4)C2)C1 1782553460 LDSUFHBUINOFQZ-JOCHJYFZSA-N 468.539 0.958 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C(F)(F)C1 1783565753 PTASICJPBPKLDF-VFNWGFHPSA-N 485.484 0.797 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)c1cccc(Br)c1)CCO2 1783565848 RRLZXMMVORFHGX-IEBWSBKVSA-N 451.273 0.400 30 20 JCED COCCOCCOCCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1783666441 MXOWAPQTFWUKII-UOFXASEASA-N 471.551 0.415 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1785578483 ZSVFFSZEAZHUGE-FDDCHVKYSA-N 459.547 0.709 30 20 JCED COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)cn1 1787605296 UAZRTVCXDIEWGF-FIKWUPFASA-N 474.514 0.991 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21 1788652734 LORZRQILKVRXMU-YJRJPCRWSA-N 470.530 0.940 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)no1 1788658942 CYAWKYILBVIRAZ-XRMPQZIWSA-N 477.518 0.820 30 20 JCED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)cn2[nH]cnc(=O)c12 1789176053 MFTRWUYBZSDWEX-IHPCNDPISA-N 481.553 0.623 30 20 JCED O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1790653900 GFMFCJQRHCQUBW-NRMBDNKZSA-N 471.470 0.448 30 20 JCED CC(C)[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)NC(=O)OC(C)(C)C 1791077626 BHXJSDHUPCRJHE-FJIDUMEYSA-N 465.547 0.994 30 20 JCED CCN1CCN(c2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)cc2)CC1 1792078670 OLHCBUUYLMYUTH-BVSLBCMMSA-N 468.554 0.510 30 20 JCED COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792148539 PVBDPZWXQQKZHS-FUDKSRODSA-N 489.569 0.986 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1792255630 RQXCTWPKXKNFCN-VMXHOPILSA-N 476.574 0.409 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncnc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n1cnc3cc(Br)ccc3c1=O)C2 1795078629 JEMQJUZHSVIASE-DBWKPXFBSA-N 474.315 0.662 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796448508 WVUXFYYDJJRZIL-LVDFWZHTSA-N 450.513 0.692 30 20 JCED CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2n[nH]c4ccc(C#N)cc24)C3)CC1 1797932559 HHZTVEDELSHVNC-REPLKXPHSA-N 463.542 0.850 30 20 JCED COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1800849222 QCYPBAYHBGJDQZ-HUUJSLGLSA-N 473.567 0.073 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2)c1ccc(O)cc1 1801058668 JKVDLZODZYDVIG-FNHONLOCSA-N 452.515 0.727 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)CCOC1 1801983257 QNJAZDLQOJOONX-IPPNXFFKSA-N 462.547 0.954 30 20 JCED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)c1 1802107717 RYSJAFAIOLOPDW-IVWMJMPLSA-N 462.528 0.761 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nnc(C)s1)C2 1802126594 KSCXKPAXYRKILY-YYAJDYIMSA-N 477.587 0.895 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2 1802140695 CJRBGEPUXUDUGA-XSDDWTICSA-N 464.563 0.572 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804193982 GPZBZHDFOYDHHS-IRFCIJBXSA-N 478.615 0.391 30 20 JCED C=CCC(=O)N1CC[C@@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1804389905 KQAMIUDUDIXAEM-LPHOPBHVSA-N 465.514 0.111 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807354648 RHYNWEYJPUVEQA-PGRDOPGGSA-N 489.536 0.831 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1808430828 CGXJNKHDTYXCPC-OXJNMPFZSA-N 457.487 0.149 30 20 JCED N#CCCC(=O)N1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1812443371 LBMWZHQRLHVGRC-UGNRZPKXSA-N 484.582 0.571 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)c1 1816674338 XXBZHNJFBVDBST-SECBINFHSA-N 450.444 0.008 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1819896533 QQHMRQOCLZBPRQ-ZCLDYCOQSA-N 487.542 0.838 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4CNC(=O)C4)CCN3C(=O)OCc3ccccc3)C2)CC1 1829310041 OYKPZZNSEIGCFK-DFBJGRDBSA-N 479.537 0.878 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cccn3)C2)C1 1829332184 BQEBAFPXTFBBTL-XMMPIXPASA-N 479.493 0.423 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332521 PVHNWLINZVSRLQ-CJAUYULYSA-N 498.536 0.393 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)cc1 1829635931 QZZGXIPHRWZOEY-DEOSSOPVSA-N 481.509 0.522 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C3)C2)C1 1829673522 NLGUMRUFKOQUIF-HOYKHHGWSA-N 495.573 0.865 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)C1 1829762765 QVFNKYHGTONZAG-UTBBOMKLSA-N 481.505 0.721 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1829769992 AVJMWTKMQGDEPY-IYZQMXKPSA-N 453.499 0.491 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnc5c4OCO5)C3)C2)cc1 1829903938 GCAYLZAAMNXGFJ-DEOSSOPVSA-N 464.478 0.995 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1830297360 YEVHPCRMJXLKIF-JKSBSHDWSA-N 455.552 0.947 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831212948 DPSXSJKPYIDTMZ-NLFFAJNJSA-N 491.585 0.882 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1831391419 AWUBLHJFJWMYSN-MHECFPHRSA-N 468.510 0.111 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1831397019 NVVKCLMICUFVMD-YADARESESA-N 460.527 0.556 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1831433653 XGZRJCAXVPXVMP-IVZQSRNASA-N 477.470 0.985 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1832458612 SXTNYFRVCHOSGE-KGVIQGDOSA-N 451.589 0.763 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832749294 GVQRUEYTIMVKMN-VGOFRKELSA-N 460.556 0.857 30 20 JCED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cc1O 1833409350 HVCWHQFQOWSPHV-QFIPXVFZSA-N 465.470 0.257 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)c(O)n1 1833696804 OAQNDEYZAGVKLY-XMMPIXPASA-N 497.508 0.778 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5n(n4)CCNC5=O)CCO3)C2)c1Cl 1834563244 CSNDSRCUQKBJBB-HSZRJFAPSA-N 498.927 0.535 30 20 JCED CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1834759716 ASAHHRVPEDLOON-QFIPXVFZSA-N 474.518 0.644 30 20 JCED C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1835525558 IODDWRPBASTLEW-DJJJIMSYSA-N 455.437 0.637 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1835675118 VEJGVXYQXCBYHF-XMMPIXPASA-N 458.559 0.941 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1835682174 ASDCEQSCBOLWNJ-RUZDIDTESA-N 470.570 0.902 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835844726 PFRIXVCBMSYMOJ-OOLNSOFGSA-N 481.594 0.238 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)s1 1836080400 MXFLQZRIMRHLPZ-JLDPKJTDSA-N 450.565 0.317 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836193373 KQIJUBADMPOTLQ-NBGIEHNGSA-N 486.569 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn(CC)c3ccccc13)CCO2 1836339407 FNWZKIJDMMUFQS-HAAQQRBASA-N 481.553 0.985 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837116458 DWDALWBMRGIKPP-QGZVFWFLSA-N 464.519 0.093 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837244163 PIOLKENSIOFKAE-NBLPZQPVSA-N 473.555 0.663 30 20 JCED CC(C)n1nc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1C(=O)O 1837316625 MWHZSNWEWLSTGL-UHFFFAOYSA-N 460.487 0.862 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCc3[nH]cnc3C)CCO2)C1 1837328218 QKBGXIHRVDQOMS-DYESRHJHSA-N 452.577 0.999 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1837396907 OPBVUAYYQXZMGS-NBGIEHNGSA-N 484.553 0.809 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1837528410 JLEZHEIVZGXJER-XFHPJVTCSA-N 473.526 0.976 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1837532673 FAAXUWPAPYEJDV-JRAWHSNHSA-N 461.519 0.395 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559796 IDFUMXCGOBMECJ-SWHKHVPSSA-N 453.517 0.061 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2)NCc1ccco1 1837564178 BBYLDOKDRWZMAX-FCGKSDEFSA-N 484.509 0.621 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1837565222 OIFGNJKYOQRVKE-LQMXFJIOSA-N 481.553 0.552 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837650184 MDSUCOVHXLFDIJ-MBSDFSHPSA-N 468.514 0.321 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1838300641 WOEMQGJKFVOAHF-QFIPXVFZSA-N 478.634 0.722 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cncn4-c4ccncc4)C3)C2)c1 1838732534 VEUPWOARDGQPHO-HSZRJFAPSA-N 461.482 0.851 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)c1 1838736048 GSRGXWBFRPQYSQ-NRFANRHFSA-N 451.443 0.018 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1839173404 NWVUCSVDPNNECV-GAJHUEQPSA-N 483.562 0.865 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1839223968 CVCYGUMEILRBBF-QMHKHESXSA-N 473.530 0.837 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)cc1 1839362588 BRCJVUQEKIJQGE-HSZRJFAPSA-N 465.466 0.625 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)N1CCN(C)CC1 1839362868 UIIXXLJCAHUSGJ-NBGIEHNGSA-N 469.586 0.459 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1839363693 PXAPYGADAARKCJ-KNQAVFIVSA-N 461.540 0.400 30 20 JCED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1839401136 BPIGNEOGMPYPNH-OAQYLSRUSA-N 493.358 0.917 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839622751 RVHQZADYSUIYRV-WZONZLPQSA-N 476.578 0.590 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839647494 IOFVMCDSQFFOJG-KUPSQVHKSA-N 452.508 0.012 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(Cl)c1OC 1840040320 JNZWKWPELJSXHZ-OAQYLSRUSA-N 466.874 0.515 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c([N+](=O)[O-])cc1O 1840162466 YEQCQQBJWPACHC-BLVKFPJESA-N 455.489 0.697 30 20 JCED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840199531 CVLAYDDZHQQHHQ-GHTZIAJQSA-N 451.520 0.881 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)cc1 1840201100 DXEVLIJGUHQOMA-FQEVSTJZSA-N 468.432 0.236 30 20 JCED COC(=O)CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840235674 IDXNOLHNXKFCQA-HSZRJFAPSA-N 466.579 0.848 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Sc1ccccn1)CCO2 1840390039 SEDBEANOUMBEBG-VQLQEPDVSA-N 474.583 0.877 30 20 JCED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)cn1 1840462431 GHCAKDYYKHKWDC-DEOSSOPVSA-N 451.527 0.923 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1840958306 ACVAWFZQAOOLRX-QVKFZJNVSA-N 452.529 0.627 30 20 JCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)c(C(F)(F)F)n1 1841893733 JFIKJHYXPNJBPK-UHFFFAOYSA-N 485.488 0.519 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153407 HFCAYSSJPJRYAR-QGZVFWFLSA-N 452.515 0.421 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1847265090 LDSLGHLEEAWKHX-RJCMGOLDSA-N 475.590 0.599 30 20 JCED CN1C(=O)Cc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc21 14096911 DCQHOKMNSWLSGQ-UHFFFAOYSA-N 460.537 0.772 30 20 JCED C=CCc1cc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc(OC)c1OC 514352495 UVKCZBRHNJTQSF-UHFFFAOYSA-N 460.531 0.645 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C1CC1 514920839 RBDXOKVWBQAJFJ-UHFFFAOYSA-N 458.971 0.850 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 522535932 NCUKGJLJCSSORO-UHFFFAOYSA-N 462.531 0.654 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(Cl)cc1 603790101 JOPMBHPGUCNREY-UHFFFAOYSA-N 495.992 0.899 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)C1=O 726041290 ZSUJPKPWGNMCGE-GASCZTMLSA-N 458.471 0.759 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCS(C)(=O)=O 729673267 WGEGFAYFDJTVHS-UHFFFAOYSA-N 475.592 0.547 30 20 JCED Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)n([C@@H]2CCS(=O)(=O)C2)n1 799650619 IMOKIIGSDLYHGR-IIBYNOLFSA-N 470.511 0.829 30 20 JCED COCCNS(=O)(=O)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 917273834 DACGSFFUCCZHCX-UHFFFAOYSA-N 480.568 0.356 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1CCOCC1 1288862031 GZDRQVVPHHTENB-CRAIPNDOSA-N 451.597 0.882 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1305314712 PNTFSCOUAXOAEP-MZRZTIOWSA-N 453.613 0.862 30 20 JCED COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cn1 1315497152 IYFIWJVDPLEIDM-KXBFYZLASA-N 465.511 0.505 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359084984 XVDIKSZGWMDREU-ZNMIVQPWSA-N 494.412 0.760 30 20 JCED N#C[C@@]1(F)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)C1 1459017201 KVBDRQOIJLZZAU-FQEVSTJZSA-N 452.508 0.622 30 20 JCED CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1501421265 MKYVWGHESDDCRZ-QGZVFWFLSA-N 472.575 0.252 30 20 JCED CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1503836353 KNDCBELCDFIADV-UHFFFAOYSA-N 473.538 0.565 30 20 JCED COC(=O)c1cncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1621629319 QSRGWNCWZLUWLM-UHFFFAOYSA-N 450.498 0.435 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC(=O)N1C 1708234551 PHOBWTOIASOELI-KRWDZBQOSA-N 467.530 0.645 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CCN1S(C)(=O)=O 1750353105 LJLKXOYOKVGICK-HNNXBMFYSA-N 461.548 0.287 30 20 JCED Cc1nccn1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1751809194 ZIHPNOVWZFGAII-RDJZCZTQSA-N 450.569 0.802 30 20 JCED CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1)S(C)(=O)=O 1766867124 MWJJNHJHKMEHKY-UHFFFAOYSA-N 474.591 0.950 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1778979918 QLRFHFDDOPRNPM-HXOBKFHXSA-N 469.579 0.931 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3ccc(C#N)cc3)C2)c(=O)nc1O 1780413168 WWBYGVZTWGNUJD-NTKDMRAZSA-N 465.510 0.957 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781290741 JFHDLIOCMLFOOV-HXOBKFHXSA-N 478.594 0.516 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1781293742 APVMHKHPURLXQC-NRYAXDJKSA-N 496.605 0.326 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1)C(C)C 1781386610 JIBDFOIIMCWDFV-LTMIRXACSA-N 477.562 0.492 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(CCO)CCO)C2)cc1 1781838395 FFDVXKMQICOZRO-ZJSXRUAMSA-N 458.559 0.167 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783246092 RFZUDLZOUMIDIN-QVKFZJNVSA-N 483.612 0.870 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1783772086 ZGGOQCASAGHYCE-MFEFFIJZSA-N 464.563 0.812 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1784662235 NRGXGPSEXONERX-BRFLTPSNSA-N 450.536 0.904 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1 1787427463 KMCYJWVWDHLXRC-ATIWLJMLSA-N 453.584 0.112 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cnn2ccncc12 1788032203 BHOVHAQJCYMOMF-MSNCFCOSSA-N 456.503 0.852 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788110920 AIXDQMVSPPCFME-ULQDDVLXSA-N 463.547 0.849 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(S(C)(=O)=O)c3)C[C@@H]21 1788571404 JWMAXFOTFIELBA-UDTPNQRGSA-N 465.572 0.652 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1791044905 OROQXTPDNXZMNC-GWOIBFRYSA-N 475.542 0.701 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C[C@@H]21 1791072679 UFQFHWHVWFHFQM-SNRMKQJTSA-N 467.478 0.131 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1791545308 RUYSBGOBCUOMOG-LNRGDDFVSA-N 499.593 0.937 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1792562385 YKVYJEAWMDSWHE-KHQYSNIRSA-N 464.563 0.759 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN(c3cc(NC4CC4)ncn3)C1)C2 1793344582 DJABIPNYTYBPIR-PERZLDATSA-N 496.612 0.895 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C)c1C(F)(F)F 1794274850 CJEUDQIRNSRDCS-LXBXGBMDSA-N 455.437 0.501 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)C(F)(F)F)C3)c(O)n1 1794490566 IHYGPEMZLYBTHZ-FVCICTRLSA-N 470.448 0.788 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795416475 WDILYCSDDAGQNR-NRCNUGCVSA-N 470.592 0.542 30 20 JCED CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N)c1ccc(F)cc1 1795599576 XURBYJOXGUOLMZ-YHELAOLJSA-N 473.549 0.874 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795892961 AWHJYZDYCKKZRI-SFNKJDCFSA-N 462.551 0.727 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1798332025 DUCXBHIEFJZXPD-MHORFTMASA-N 468.558 0.840 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799644772 KOUCGQFXCCVMBO-NPDDRXJXSA-N 464.526 0.426 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCO 1800149586 ZRMAASPRPHHAST-XMTFNYHQSA-N 498.577 0.439 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800199970 VLRJCCFMTHOPLK-NYUBLWNDSA-N 489.573 0.692 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC[C@@H]1NC(=O)OCc1ccccc1)C2 1800778581 JDARFSZWAHSCLM-MRXSCTINSA-N 483.521 0.759 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2)NC(=O)OC(C)(C)C 1801929807 HLLGBFQVURLCCM-NTODXPRQSA-N 493.561 0.034 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C2 1801993235 MJDIEHOKKLUNNE-MUJYYYPQSA-N 467.931 0.735 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C)c1C)C2 1802124839 JDPOWJXPHJPZTF-NBMJBFSESA-N 459.547 0.848 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1802147711 MZDAREHPETYELC-CLWJZODNSA-N 482.578 0.328 30 20 JCED COC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814979641 LUNHYGNKKVXLGL-HIFRSBDPSA-N 450.565 0.488 30 20 JCED NC(=O)CC[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819898679 NGMSAEMCBFTUHB-LPPHAIQZSA-N 452.537 0.177 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829232632 VJWRGAQMVQFQSZ-VAXXYWNWSA-N 488.589 0.525 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1829267495 QYWJHWTWTXFPHI-QHCPKHFHSA-N 471.583 0.556 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccnc(C)c3)C2)C1 1829764641 RIOSIAIJMKRCNW-ZKWSMMDQSA-N 456.543 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1829769024 MCKXHHGNXCTWFN-IBLIISRWSA-N 488.516 0.469 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)C2)C1 1831387839 RULVZLRBLRNSDU-AVRWGWEMSA-N 490.553 0.750 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cccn4c(O)nnc34)CC2)CC1 1833075017 OBHOVTRFYQNSLC-WAYWQWQTSA-N 481.557 0.479 30 20 JCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1833147744 DYZYJTRSTKKUSJ-UHFFFAOYSA-N 467.636 0.779 30 20 JCED O=C(CN1C(=O)CNC1=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1833676963 CXSASYSPWMRHLZ-UHFFFAOYSA-N 451.527 0.162 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnn4)C3)C2)c(O)n1 1833700030 OGOQVAJJPOEOOV-XMMPIXPASA-N 483.525 0.845 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834402741 YNPGCYIYUVDSOW-GOSISDBHSA-N 451.568 0.747 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1)c1ccccc1 1835560594 MOGXIPDDNQRBMB-WATLYSKOSA-N 470.570 0.233 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1835672600 FJCYJUTYSXTRDM-OAQYLSRUSA-N 465.938 0.792 30 20 JCED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)C(=O)O 1835752183 ONZICGOXCCIVAF-XMSQKQJNSA-N 463.918 0.211 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1)[C@H]1SC(=N)NC1=O 1836169992 NPEPJNHKBMUGTO-FZKQIMNGSA-N 471.587 0.874 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1836526232 ORZAKTDCUVPWMV-IPACTHBOSA-N 496.568 0.707 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)C1 1836930747 HULFKTIUSDMKLQ-HSZRJFAPSA-N 454.531 0.915 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)N1 1837115527 KEHVEVYIOYJFAM-MQKWGWFZSA-N 479.534 0.112 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837155753 OYADBSQCHOQMMI-GYLQWBMOSA-N 453.499 0.263 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837633808 RXXHTTDXQLZXKN-BDNZGDGKSA-N 463.556 0.828 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837636494 AJQCBMVNVHXVQG-LJBSYDGDSA-N 476.530 0.709 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837737154 RIDGJNFPYNKGOY-OFNKIYASSA-N 458.515 0.088 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1837886348 ZDWTYWOOCACYFA-GOSISDBHSA-N 453.536 0.557 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c(Cl)c1 1838330546 JKVDEBORQSBPOC-QFIPXVFZSA-N 484.900 0.484 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc6cccnn6n5)CCO4)C3)c2c1 1838430103 SRJJHTYGQBLOLA-DEOSSOPVSA-N 486.492 0.861 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838439402 PPJYBUAAWIXQTR-HOYKHHGWSA-N 472.542 0.922 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838568305 BZNMRAWBQBVIDW-MHECFPHRSA-N 491.541 0.707 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598390 FHOSWXNNAJNUMU-OYHNWAKOSA-N 460.918 0.972 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1839043958 CKCLMNFGAQZBMX-NRFANRHFSA-N 480.612 0.267 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c(C#N)c1 1839132472 GWWUHGPDJCREDR-NFBKMPQASA-N 491.566 0.143 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC=C)NC(=O)OCc1ccccc1)CCO2 1839190903 KPBJEEDUBREKKG-HYBUGGRVSA-N 455.511 0.947 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c(I)c1)CCO2 1839471945 UGZXNAHVAMYHDS-SFHVURJKSA-N 470.263 0.700 30 20 JCED COCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)CC1 1839485916 CBILYNWORFFBPV-HSZRJFAPSA-N 453.499 0.931 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cnn6c5OCCC6)CCO4)C3)c2c1 1839518640 WYYOVPFBOHBWTB-DEOSSOPVSA-N 491.508 0.797 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839666110 QOBQNAPRXAUUKW-HTAPYJJXSA-N 462.572 0.576 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)cc1 1839669967 HWNJEZIOALVHLR-HSZRJFAPSA-N 467.482 0.397 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCO[C@]3(COCCN(C(=O)CCC#N)C3)C1)C2 1839738858 ISLHYXPJQAOCCI-HXOBKFHXSA-N 473.530 0.382 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)C4)C2)C1 1839809030 OEKXAHFZZNQQAJ-QHCPKHFHSA-N 473.530 0.337 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)N(C(=O)OC(C)(C)C)C1 1839874650 FWYXRWHQOKIDHK-YTZAWJCFSA-N 492.573 0.145 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C[C@@H]2OCC[C@@H]21 1840035914 KIFPNFNUHAECBS-LYXWCMDISA-N 492.573 0.771 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040276 SYCPENVYEKAGGY-BXKMTCNYSA-N 491.541 0.320 30 20 JCED COc1ccc(OC)c(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041451 NCSJQGASMBAJNL-HSZRJFAPSA-N 460.483 0.181 30 20 JCED CCOc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1OC 1840087191 MLWYSBHBHDKXSS-HSZRJFAPSA-N 460.483 0.181 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840165674 GQVHXENLWZITCJ-YIFZBPKDSA-N 467.563 0.648 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2)c1ccccc1 1840478083 WQUROQQPRXSGHV-PTLVVNQVSA-N 466.542 0.888 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COC)C2 1844215494 MOHDNMLCCVXGTH-OAHLLOKOSA-N 454.524 0.642 30 20 JCED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2)c1ccc(O)cc1 1846415407 STZHYQFLFMNDKP-HXUWFJFHSA-N 473.595 0.823 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1847071624 KYFBSELLOMBUEF-IBGZPJMESA-N 473.618 0.886 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc(OC)c1OC 480155671 VQLIMSMCWHQRPS-CQSZACIVSA-N 459.524 0.271 30 20 JCED N#Cc1ccc(N2CCN(C(=O)CSCC(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2)nc1 490776831 YGAZYUDLWUFMEL-UHFFFAOYSA-N 490.593 0.951 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1-c1ccc(C(N)=O)cc1 517488748 QSKXILVDHUYRRG-UHFFFAOYSA-N 476.558 0.880 30 20 JCED Cc1csc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)n1 603683504 LBHWAKLLPBDZOO-UHFFFAOYSA-N 474.612 0.978 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc4c(c3)OCCO4)c2=O)o1 619538704 MPRNCMZMJCQXAT-UHFFFAOYSA-N 479.514 0.934 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cn1 726577309 NEKGOKIWBKVFAN-UHFFFAOYSA-N 483.575 0.211 30 20 JCED C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 727013726 YVCVWNVKTFLBAC-AWEZNQCLSA-N 458.496 0.226 30 20 JCED COc1ccc(S(=O)(=O)N2CCC(C(=O)OCCn3ncc(C#N)c3N)CC2)cc1OC 729806645 NHGOMFYGARBLNK-UHFFFAOYSA-N 463.516 0.998 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN(C)S(=O)(=O)c3ccccc3)CC2)o1 915396051 CJQIXLAOBPVKKT-UHFFFAOYSA-N 461.500 0.367 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1300899104 BQCWOPDWFKFDCU-QFIPXVFZSA-N 456.503 0.175 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1314010613 MSFLCFVEXPUKCC-SFHVURJKSA-N 475.575 0.725 30 20 JCED CC[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1314567864 CGKQEISEPQXWGJ-UZXAJXEFSA-N 458.610 0.510 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2CCOCC2)C1 1316357255 QBYVDVDTGMOMTQ-VQIMIIECSA-N 456.544 0.870 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1 1447410168 MUWSQEYOXMMBFQ-FQEVSTJZSA-N 456.524 0.423 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 1519530406 NDZLWSOFMBRFSA-IAGOWNOFSA-N 470.621 0.592 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1541881118 YHCMVMNOLOKLHM-KNKQGSTJSA-N 495.650 0.709 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1541925883 JJBYBZFDOOOZLG-HKUYNNGSSA-N 494.666 0.961 30 20 JCED Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N2CCSCC2)o1 1542344559 WSODVJRMVMNOMA-OAHLLOKOSA-N 452.562 0.954 30 20 JCED CCCN(CC)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1547121309 PPMALZPUABBBMO-DLBZAZTESA-N 455.585 0.072 30 20 JCED N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1555992254 LRGSMKGZFXABBP-BEFAXECRSA-N 469.470 0.825 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCO1 1611707275 NWZBGERYVJKLRP-DOTOQJQBSA-N 460.564 0.661 30 20 JCED Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c(N2CCOCC2)c1 1707493536 ZDOBBQAKGJKUJC-PKOBYXMFSA-N 489.602 0.810 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1723615316 AKWKPNLIIWVWED-IBGZPJMESA-N 457.627 0.619 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1767847539 MPPTVYMLEMBXNW-UHFFFAOYSA-N 457.560 0.861 30 20 JCED O=C1COc2ccc(C(=O)N3CC[C@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)cc2N1 1778574548 JNZFBKNZROIZFH-VMTPXRMSSA-N 472.498 0.990 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1779104347 JHZXKQSFEHABRV-FHMMEVJKSA-N 458.475 0.407 30 20 JCED O=C(/C=C/C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)NCc1ccco1 1779208929 TXFNOSQVFKEMBY-FTUUIQLDSA-N 474.514 0.811 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062478 SLTAYTXHGOVENV-DEOSSOPVSA-N 474.477 0.484 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781045381 PBCJUJPFAQOORI-YDLHNXBPSA-N 478.590 0.236 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)NC(=O)OC(C)(C)C 1781051768 SHZANBIMXMXARF-SCYDXJQRSA-N 466.579 0.399 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781352781 FVCSUMBTORROEZ-LPFFWNTMSA-N 481.594 0.564 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1782086342 SNPRCWDOKIJBOT-NYHFZMIOSA-N 459.455 0.863 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C[C@@H]21 1783530389 WTUUHKBTTYGODP-GRNXDFJHSA-N 473.530 0.614 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(F)F)CCO2)C1 1783882974 BDVVTFYVQKMEFK-QKKBWIMNSA-N 490.504 0.887 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783982021 BPPSHCKXFLQVIK-VBKZILBWSA-N 490.479 0.411 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc([C@H](C)C#N)c4)C3)C2)CC1 1785079266 NKGFUQGWLFXAQP-CLOONOSVSA-N 467.570 0.921 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1787125870 YYBYMPJSJGPQCA-NQCBRMCBSA-N 457.593 0.655 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)[C@@H]4SC(=N)NC4=O)[C@H]3C2)c1 1787496565 YVMHQXNNHNDYDM-UYJMCMLGSA-N 485.566 0.963 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21 1788603539 LEHRWCOIVCNGLW-DXBIYWELSA-N 468.602 0.835 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1nn[nH]c1C(F)(F)F 1789359343 GUQRXFDILLEMLS-LPSUWGPASA-N 457.457 0.889 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(=O)(=O)N4CCCC4)C[C@@H]32)c1 1789510551 VWPDGWOQXUMXOD-UFYCRDLUSA-N 460.556 0.577 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(C#N)cc5)[C@H]4C3)CC2)CC1 1789573685 IGLYQYSQHPDHFJ-FKBYEOEOSA-N 451.571 0.932 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C[C@@H]21 1789892509 YWTQVSXVVUXYKV-WFXMLNOXSA-N 484.553 0.980 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)C1 1793258606 PHDYOKMSAJDBLC-KYHREEPGSA-N 461.559 0.607 30 20 JCED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1794251563 LNLULVGHKPTCTD-BTTYYORXSA-N 464.473 0.283 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1C 1794588157 PYDIOSVVLJKDCD-AXVVYFOYSA-N 472.542 0.505 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795275460 AOZTVSAZGAXAOS-JTJHWIPRSA-N 457.527 0.513 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597642 QSPIKSSRKWSHRF-BVJIBDCISA-N 485.585 0.037 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(I)ccnc1F 1796512061 ZCRFXODVDUFRRZ-KEODLESXSA-N 487.225 0.117 30 20 JCED Cn1ncc(I)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1796747768 PXWNTHVVFALODV-PTEHBNRSSA-N 469.283 0.532 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1797208554 PDOMUZFGBGKNCI-MZZPOWALSA-N 467.494 0.259 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OCCCO)cc1 1798541140 LEKOLJOYWQYDCM-CEQLMSFQSA-N 458.559 0.933 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccnn2)C3)CC1 1799236383 NDESXQUKBWMCPR-IZZQQSIFSA-N 487.561 0.409 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO)NC(=O)OC(C)(C)C 1799343740 VWOXFIGILJJVJK-AXVVYFOYSA-N 455.552 0.444 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800526948 FTXAYCHALXCSSP-AYYYJTJGSA-N 462.547 0.182 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(C#N)c[nH]3)C4)=NO2)C1 1800710492 JZXNRLNXMKYPCV-HGKCTWBKSA-N 498.540 0.855 30 20 JCED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1800840065 NELJEVLPCDNCKH-IRJINJETSA-N 475.542 0.596 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(F)CN(C(=O)OC(C)(C)C)C1 1802197853 WKMPMZPMMUWEAD-CHQRJUHXSA-N 480.537 0.393 30 20 JCED NC(=O)CC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1807049323 ZPROYAVXBDTLID-XQBPLPMBSA-N 455.559 0.379 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811185128 QXPRLONYXCEBAT-QFBILLFUSA-N 464.530 0.572 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1814215342 KEBKWVTUGSHVIF-CDXSOPQDSA-N 472.590 0.843 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819708736 CKQWYSBXJKLZEH-HZMBPMFUSA-N 457.516 0.673 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)ccc1F 1822961979 PXEMXALVSJRPIH-UKRRQHHQSA-N 458.519 0.901 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)N1 1825074231 KHVRDEOSYSTSIW-AEKVVBKHSA-N 463.535 0.733 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1826893000 UKGVGBRDXGXPJB-KRWDZBQOSA-N 457.512 0.613 30 20 JCED Cn1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1828744710 GNZYEGRKKRSNLI-XMMPIXPASA-N 479.493 0.574 30 20 JCED CN[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1)C(=O)O 1828923029 MBDBYIOFJJHOGO-CYFREDJKSA-N 485.541 0.805 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn[nH]c1)CCN2C(=O)OCc1ccccc1 1829072481 NGOVCJSIQSMBSN-HSZRJFAPSA-N 465.466 0.563 30 20 JCED Cc1noc(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n1 1829332217 FGSHIVQDCMVRKX-DEOSSOPVSA-N 495.492 0.461 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)cc3)C2)C1 1829773898 YVQKGAXYJQRPID-HMLKYZKVSA-N 470.526 0.573 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)C2)cc1 1829898582 JXEWVQWNLPCNTF-LJQANCHMSA-N 487.406 0.912 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CC)CCO2 1830533262 IXHQELKFWXJJRB-JKSBSHDWSA-N 453.536 0.130 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1830779738 UAVJKYTWVLWBJD-MBSDFSHPSA-N 490.582 0.422 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1831386259 DMGDVLKMTGIFST-YCRPNKLZSA-N 461.544 0.136 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@@H](C(=O)OCC)C3)C2)C1 1831388454 SXQAADMBAKZBIR-ZBNTXBBCSA-N 464.559 0.851 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1831950899 AXXSHORNYVUTQO-DEOSSOPVSA-N 457.527 0.859 30 20 JCED CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833454113 QUOMBTBJECIBJH-CJLVFECKSA-N 455.625 0.464 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)c3ncn(C)n3)CC2)CC1 1834092219 STSOVRYXIBQFBR-IBGZPJMESA-N 487.605 0.917 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC)CCO2)C1 1834977674 UHYPHTXLULATGX-NPFVIJTESA-N 453.536 0.559 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835145683 HKMHPPVHBAZKAF-YKSBVNFPSA-N 494.610 0.880 30 20 JCED C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835667700 MZJCRQHBCJKBPQ-NTKDMRAZSA-N 472.590 0.730 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(C#N)cc3)CC2)CC1 1836287415 RCIRQRCNKGUAJW-QFIPXVFZSA-N 455.559 0.895 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837693512 UVPATKLZSIHRRQ-HXOBKFHXSA-N 459.930 0.839 30 20 JCED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c(C(F)(F)F)n1 1837961208 OITIFGDYGQZGBY-XPVFAOKESA-N 486.495 0.981 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccnnc5O)CCO4)C3)c2c1 1838375706 HFLCOWXRFNBHHX-QFIPXVFZSA-N 463.454 0.314 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1 1839130873 YNYHNYQJNOVRPT-MBSDFSHPSA-N 467.563 0.786 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Oc3ccccn3)C2)C1 1839176103 WEEWQLGKMGXQTG-JPYJTQIMSA-N 461.515 0.815 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839185392 YIXBHXCGEZFXIF-JPYJTQIMSA-N 492.577 0.594 30 20 JCED COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)cn1 1839420057 KSNJHAGOEQZMHQ-JOCHJYFZSA-N 455.446 0.880 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1839452495 FALLCGOBNYHIIC-RUZDIDTESA-N 492.536 0.581 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839533840 KJJFUCBYPLBLAW-XMMPIXPASA-N 465.510 0.850 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839692761 PCFZCXYSRWDOJU-RUZDIDTESA-N 484.601 0.122 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839751918 YDEZQDAPLYQNTE-HXOBKFHXSA-N 495.577 0.118 30 20 JCED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839885886 XUWGEHSLPJKXDN-JOCHJYFZSA-N 454.487 0.031 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1840176595 NKHQRJSWWSEHER-HXOBKFHXSA-N 497.593 0.361 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1)c1ccc(O)cc1 1840219353 KGZZKNCNECFHBA-CYFREDJKSA-N 457.527 0.482 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1cncn1 1840421850 GLUHEMSUZCASSU-VGOFRKELSA-N 454.487 0.246 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841895223 JHNYWDYPTVDDNX-UZUQRXQVSA-N 496.630 0.390 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842001012 MFPNGTVWWYQQEB-MRXNPFEDSA-N 460.491 0.911 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843085100 GQEOVJYEEAICNP-IBGZPJMESA-N 494.556 0.884 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cc1cc[nH]n1)C2 1844215548 SHSMAPZREWKWIZ-QGZVFWFLSA-N 490.561 0.961 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COc2ccc(O)nn2)C1 1845773750 UBRWPGUPAWIIOT-HNNXBMFYSA-N 459.503 0.681 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 18038967 AZIRXJMDYOTGHC-UHFFFAOYSA-N 459.528 0.646 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480227262 YMEYWHGLOBUODS-GOSISDBHSA-N 499.589 0.906 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2F)c1=O 489129267 OIJCEUIWOSKTIG-UHFFFAOYSA-N 458.559 0.800 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 515942384 COGHZHAPISORMB-OAQYLSRUSA-N 490.520 0.255 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1-c1cnn(CC)c1 522381866 FCAGVDRSUMONLF-UHFFFAOYSA-N 495.561 0.946 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1CCOCC 523745131 ROTQJZMEHZXSHT-UHFFFAOYSA-N 457.508 0.489 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C 592993933 HKUGXURFAHPDFN-UHFFFAOYSA-N 456.503 0.212 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 603595404 LVBNTOAKQAHQIR-UHFFFAOYSA-N 486.554 0.753 30 20 JCED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434361 GSMNDNHRKFCLCL-ZDUSSCGKSA-N 488.522 0.653 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828569 BXYRLZICTPOBDG-CQSZACIVSA-N 480.521 0.791 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccc(C(N)=O)cc2)c1=O 726576122 WNEZYMTVYQQADK-UHFFFAOYSA-N 476.562 0.474 30 20 JCED CCCCCS(=O)(=O)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 728104552 XZOFJZDTHJFWFN-UHFFFAOYSA-N 485.584 0.539 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1 811835365 ZAHLUFDDWDVXBW-INIZCTEOSA-N 494.551 0.258 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 914632359 NDPAWXVLPOVFTL-CQSZACIVSA-N 453.517 0.827 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCc3nc4ccccc4c(=O)n3C)CC2)o1 915380333 YEXZXTAJHQSWOE-UHFFFAOYSA-N 464.482 0.926 30 20 JCED C=CCNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 916918780 PWPVWYCAXPFMJX-QGZVFWFLSA-N 466.947 0.964 30 20 JCED CS(=O)(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 917010352 BXVMISSTSKGSRH-GOSISDBHSA-N 463.516 0.624 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Br)cc2F)c1=O 917357015 YIVWPDSXGCODGR-UHFFFAOYSA-N 496.358 0.820 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)c1 918241728 LHPGIGXLYVJBKE-HKOYGPOVSA-N 465.576 0.665 30 20 JCED C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1139811265 IRPINYHSKNIFTD-FOIQADDNSA-N 456.524 0.748 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1297731991 LTPGHMAMUZJUQY-KRWDZBQOSA-N 496.615 0.749 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1297958042 ZCGYOHZOTRKWDA-QZTJIDSGSA-N 458.567 0.072 30 20 JCED CC(=O)N1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1301771581 VUGYIOXKWLKRQJ-NQIIRXRSSA-N 463.608 0.474 30 20 JCED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1618465867 IMXFGBPMZMQALC-NQIIRXRSSA-N 460.560 0.419 30 20 JCED CN1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1(C)C 1618488577 NVTZOYOKYJPGCO-UHFFFAOYSA-N 486.646 0.924 30 20 JCED N#Cc1ccncc1N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1641699334 XXNFSGTXCURONQ-UHFFFAOYSA-N 457.512 0.742 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1695940210 UVBYAZWWPJHAQI-HOYKHHGWSA-N 483.573 0.527 30 20 JCED COCC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769561124 RIMTYCBSYZDKCI-VPWXQRGCSA-N 452.581 0.144 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n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c3cnc4c(c3)NC(=O)CS4)C[C@@H]21 1783530550 DGVWJSQMXPTMHW-MJBWGRTLSA-N 485.566 0.578 30 20 JCED CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566912 AQQRIDGMLGLWBK-OPAMFIHVSA-N 451.520 0.844 30 20 JCED CCOC(=O)c1nn(-c2ccccc2C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1C 1783567906 HUPKYNWWWPYFSJ-VWLOTQADSA-N 494.504 0.889 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783896943 FMADTFPHIMJHDB-PJSUUKDQSA-N 459.565 0.591 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1784503723 DIFJTUHXDGWZDL-FZCLSBEQSA-N 462.572 0.462 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1785573475 XALVONAAMRQIIB-OPAMFIHVSA-N 461.519 0.667 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1785576038 HEZJKGZXEORCSI-IVZQSRNASA-N 459.503 0.130 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1785577495 XNWVCERHQLOWHE-HJPURHCSSA-N 475.546 0.789 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C5(C#N)CC5)[C@H]4C3)csc2n(C)c1=O 1786697045 QOZHYXKFTFSQIL-BPUTZDHNSA-N 485.566 0.125 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]3C2)c(O)n1 1786894490 CDMQJXNECZOTAN-QZHFEQFPSA-N 460.531 0.562 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1787124545 AQVNQLPJQFOTLC-RPZLJYRGSA-N 495.617 0.910 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1n[nH]c2c1CS(=O)(=O)C2 1787152082 DXMOXCWEAWJABE-BXWFABGCSA-N 490.582 0.130 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccncc4=O)C[C@@H]32)c(C(F)(F)F)n1 1787198156 PYOZTWAPUSXYII-JQFCIGGWSA-N 490.442 0.822 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)[C@H]2C1 1788080093 FBJUAARGHWIKKE-FPXQBCRKSA-N 495.540 0.965 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678809 RLLQRKDUZRQKMB-GWMWAVFOSA-N 463.487 0.173 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1788706099 KUIIOHCSLQYOKX-CJFIXGCPSA-N 476.537 0.954 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nnc4cc(C)nn4c3C)C[C@@H]21 1789892217 ILZZJEUOOGIXGE-BZSNNMDCSA-N 470.530 0.844 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327897 FDKXYGGJKXZVRH-BOLBYERCSA-N 452.515 0.943 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3COCCC34CN(C(=O)OC(C)(C)C)C4)[C@H]2C1 1791022469 QCBDHIJCNUTNIR-OKYOBFRVSA-N 461.559 0.873 30 20 JCED COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1791133913 JAIXRMUJMMSBBM-JYEIPFOFSA-N 468.595 0.508 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)[C@H]2C1 1792224122 VHNVEWZHDGARNW-VMXHOPILSA-N 495.573 0.461 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1792451449 TXLGBHUIPZSKKW-LDXCWZNISA-N 471.620 0.902 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O 1796316395 DUVFHZNFKCYHIW-QEOTZNIISA-N 467.567 0.492 30 20 JCED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1796316795 HYCRCEJIVYPDAH-JLUCKKNBSA-N 468.436 0.622 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)NC(=O)CS2 1800038028 YVOVVZPZBIMFCD-KPEUIFRASA-N 460.556 0.902 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1800945228 ZWCCEAMTFFIYIR-RDGPPVDQSA-N 499.630 0.870 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1800984592 ABGLXGFBSHNEPQ-CKEKPRIKSA-N 450.302 0.536 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2)c1ccc(O)cc1 1801056038 FOQDVMCNEHVEHZ-PRHHBONVSA-N 466.542 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CNC(=O)c2ccco2)[C@H]1c1cccnc1 1807585770 NRXLRJKCAVCNHB-ADWLJLTJSA-N 465.510 0.969 30 20 JCED C#CC(=O)N1CC[C@H](CNC(=O)c2ncn3nc(N4CCOCC4)ccc23)[C@@H]1c1cccnc1 1807793071 TVDUIHKPBIFYHP-JPYJTQIMSA-N 459.510 0.914 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]2c2cccnc2)c1 1811410042 LZUXDBIIAAOXPE-UTKZUKDTSA-N 479.493 0.824 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)C1 1818610417 SLDKDBHZQSNQKZ-IPYPFGDCSA-N 492.554 0.761 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1819900218 HQMLYGRXSWPGFD-MSHVMYLASA-N 464.504 0.136 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H](NC)C(=O)O)CCN2C(=O)OCc1ccccc1 1828990823 WHZDAHVTQDPYDG-CPJSRVTESA-N 484.553 0.915 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628289 ODRPNOXDMZIOQM-WZONZLPQSA-N 477.583 0.628 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)C3)C2)C1 1829663425 LJYQYWFBGZDVHZ-CMJOXMDJSA-N 458.515 0.415 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1831215912 BMVPKUBFIYZFDY-SFHVURJKSA-N 484.294 0.498 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1831427725 YWEKPIBQQSJBDL-WAIKUNEKSA-N 459.499 0.679 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831445155 UNTMPSGKBCWIOT-QFIPXVFZSA-N 468.572 0.048 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831485334 BIDYAUODWNDBJR-REWPJTCUSA-N 478.615 0.943 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1831495897 PAHMUXNCPLAAQS-YLJYHZDGSA-N 468.532 0.167 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831571365 ZIHAQZYZXWIHHX-LAUBAEHRSA-N 451.596 0.602 30 20 JCED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1832291264 ZYAODNJPDWSVBY-OAQYLSRUSA-N 497.474 0.910 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832358375 ZCKJLEOTWCLLTB-KBMIEXCESA-N 489.617 0.516 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832497216 LUTLUGFSFXHYKA-APRFEEGUSA-N 472.542 0.755 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2COc4ccccc4O2)CCO3)c1 1832499694 OKGQDVFIQZWQLA-NFBKMPQASA-N 452.467 0.796 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cc3nnc(C)s3)CC2)CC1 1833076045 OHSRMHMIVBURTA-PLNGDYQASA-N 460.604 0.819 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1833564019 MCEIIBHURCLIDN-NRFANRHFSA-N 483.612 0.615 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834563339 HYYCQLVJXPOWPT-SBUREZEXSA-N 457.531 0.465 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834913516 VQRALGAKQXJZII-HNNXBMFYSA-N 494.618 0.824 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)COC)CCO2)C1 1834974409 AMSQCTZBOZGASP-HYBUGGRVSA-N 475.542 0.960 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835716166 ZXOPOKWFFFLJBE-WBAXXEDZSA-N 479.647 0.934 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835731381 GOKVQHLGEBXXOE-RJHIMSKASA-N 491.662 0.832 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1Cl 1837274512 ICPACVUSRZGDAC-NRFANRHFSA-N 473.921 0.615 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837400594 IINFHHAVDOGUOE-FDDCHVKYSA-N 457.531 0.301 30 20 JCED NC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccccc1 1837489783 UYRQQOBOSUJFQZ-NVQXNPDNSA-N 469.582 0.884 30 20 JCED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c2c1CCC2 1837528758 OOPHGHCRNJONNX-QWPYIFRSSA-N 475.546 0.508 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1837531309 IOYGMTDWCNGYBX-RJGDLVSHSA-N 451.476 0.371 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837564200 CEGYIXQWEMNFCX-AMFJNGDOSA-N 471.514 0.707 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837566726 IQCWJTMNLFETCH-HQQBKKBHSA-N 454.483 0.568 30 20 JCED O=C(C/N=C/c1ccco1)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837918838 XRLPGTUEISDIKE-ZMOGYAJESA-N 481.513 0.742 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](C)ON=C(C)C)CC3)CC2)CC1 1838300512 SYQODGDFNCEOIA-LJQANCHMSA-N 479.622 0.950 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1838330588 ALSDLLMRWPFQGR-VOIUYBSRSA-N 478.509 0.586 30 20 JCED CNC(=S)NCCC(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838392778 JBODSNQSWVNKLH-KOEQRZSOSA-N 466.652 0.941 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(=O)nc5sccn45)CCO3)C2)CCC1 1838417559 NVGATAQRYUZBKY-NRFANRHFSA-N 457.512 0.520 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=C4c5ccccc5C(=O)N4CC3)CCO2)C1 1838458219 VNGHGCHINJUHSK-DWXRJYCRSA-N 479.533 0.752 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(C)C(=O)CC4)C3)C2)c1 1838579655 WVXQIOWDRWEWFF-HSZRJFAPSA-N 469.498 0.245 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1839174546 JBGNMIACSJUXTL-GBXCKJPGSA-N 459.543 0.695 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)C1 1839189681 YZGWGFVVPQQZJZ-WZONZLPQSA-N 459.499 0.940 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1839224689 NUOBKXFCSQMXIZ-ZOZBEKFXSA-N 469.564 0.046 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(O)n[nH]5)C4)C3)c2c1 1839487511 ACTPDWLUNXRNLT-OAQYLSRUSA-N 451.443 0.247 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)COc5ccc(O)nn5)C4)C3)c2c1 1839489039 MOWZGXHNEURJSP-HSZRJFAPSA-N 493.480 0.079 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)CCO2 1839583628 IPUOFPYFQPSCFP-QHCPKHFHSA-N 460.531 0.488 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839718659 HELUYDBYSZYUEK-QFIPXVFZSA-N 460.487 0.407 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]4CCO[C@@H]43)C2)C1 1839810743 PKWXPIWOLRHAKF-KTXJPYHWSA-N 477.558 0.348 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1839873932 NBRGQZLEOGKLKJ-TXBYWVTISA-N 482.578 0.437 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1839888618 XQFOIAWLMKRYND-LJQANCHMSA-N 473.498 0.767 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](C)ON=C(C)C)C4)C3)(C1)C2 1840006263 WPPDVUNZVPMSMH-QGFHRSQPSA-N 451.520 0.587 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3n[nH]c4cc(Cl)ccc34)C2)C1 1840043237 MMCQQFVJANEGSM-OAQYLSRUSA-N 460.874 0.303 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1)c1ccccc1F 1840162792 HQGYKEJVFDMLMM-RTOPAQNCSA-N 467.563 0.952 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1840168045 DLSLQGIKUVHSSC-QFIPXVFZSA-N 458.540 0.938 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)c1 1840181175 SBKCTRIGJFLMNV-DHIUTWEWSA-N 459.499 0.553 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1840204969 YJHAWNVXXJBIKZ-LJQANCHMSA-N 472.395 0.446 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1cncn1)CCO2)c1cccs1 1840357892 OYNTZPRBEWVUKR-SHTLVRLNSA-N 459.528 0.625 30 20 JCED NC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1 1840647694 IOUJUIBENNHEST-RWOVVYLESA-N 457.531 0.327 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840840394 PWDMQJVLOYZCLP-WZONZLPQSA-N 465.547 0.492 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccc3)CCO2)C1 1840901878 WVCTWSOHVFPPSE-JVFUWBCBSA-N 473.570 0.834 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1840908140 BJRJAPGVRFTYQX-JPYJTQIMSA-N 463.531 0.339 30 20 JCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)c1 1844895795 XJKDRTAGFUKCHH-ZWKOTPCHSA-N 467.551 0.555 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1846330848 JSFXHQRMBZXXDC-KRWDZBQOSA-N 467.588 0.931 30 20 JCED CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O 1857791823 VNCXPIZEFLGDMH-UHFFFAOYSA-N 478.495 0.506 30 20 JCED C#CCNC(=O)[C@@H](C)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 26351184 PUZLLJQIBXDJQW-MRXNPFEDSA-N 451.549 0.885 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 26942592 HLYIMQKABKXIPZ-UHFFFAOYSA-N 492.535 0.653 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 116671654 BTUHATSMBJTNQV-UHFFFAOYSA-N 458.544 0.410 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1cnn(CC)c1 523579305 WJNRWTYTNIXOLL-UHFFFAOYSA-N 492.540 0.864 30 20 JCED Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCNS(C)(=O)=O)c1 589159491 CBNGRIZNYQPEDJ-UHFFFAOYSA-N 485.591 0.195 30 20 JCED N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O 589159603 WCXJXVJOBJBAKP-UHFFFAOYSA-N 451.435 0.649 30 20 JCED COc1c(F)cc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1S(N)(=O)=O 603663441 BUFOZXABMJSSMJ-UHFFFAOYSA-N 496.542 0.429 30 20 JCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n(CC(N)=O)c1=O 608911040 FTCSFKYNALQVGA-UHFFFAOYSA-N 494.504 0.756 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(=O)N(C)C 726576987 FCQVVNNGGHEOEZ-CQSZACIVSA-N 455.536 0.903 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)cc1C 729671845 VUBBNDJAMNSWNO-UHFFFAOYSA-N 477.608 0.547 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N1CCSCC1 730551200 VGJPYUWTFFEGQB-INIZCTEOSA-N 488.657 0.779 30 20 JCED CC(=NN=c1nc2[nH][nH]cc-2c(O)n1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 731157041 CMJSBDCJIOILGG-UHFFFAOYSA-N 459.488 0.753 30 20 JCED CS(=O)(=O)CCCC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 731255765 HZXFFUSFEBXPQI-UHFFFAOYSA-N 450.473 0.823 30 20 JCED COc1cc2c(cc1OC)CN(C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 749017807 VBBHSPNQAOQRPJ-UHFFFAOYSA-N 473.507 0.982 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2c(C)cc(C)cc2C)c1=O 916198046 BJTGVWXQUKIUGS-UHFFFAOYSA-N 484.622 0.433 30 20 JCED COc1cc(C#N)ccc1OCCCC(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 919171017 QDHAVRYTVSEKKQ-SFHVURJKSA-N 479.555 0.600 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)NC(C)C)CC1 920303427 TVCRWAALRTVXSR-SFHVURJKSA-N 463.604 0.809 30 20 JCED C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1301009523 MHXQQJQFKNAEBU-MOPGFXCFSA-N 495.627 0.948 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C1 1302468496 IJVRBOGTCMAHIE-IRXDYDNUSA-N 470.621 0.592 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H](O)C1 1316102488 WMBLDSZFXMBWLO-SQNIBIBYSA-N 470.596 0.529 30 20 JCED N#Cc1ccc(N2CCC(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)CC2)c(F)c1 1464729747 TZAWUMMJMAGFEI-ICSRJNTNSA-N 450.536 0.528 30 20 JCED CC[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1503297641 PUIGTIUYHPBHAH-HOLBHBGLSA-N 458.610 0.510 30 20 JCED CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1517631605 RENVKDSTULVJRJ-UHFFFAOYSA-N 461.596 0.725 30 20 JCED C[C@@H](CC(=O)N(CCO)CCNC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1654473598 JLIXGFSGOIFCTH-AWEZNQCLSA-N 454.549 0.849 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1692784352 VEQOYYZYVGENFM-MSOLQXFVSA-N 494.666 0.961 30 20 JCED C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1761438201 ZYPANRGFJDNGQA-HXUWFJFHSA-N 497.600 0.992 30 20 JCED COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1770934089 VGGCJOYODRYBII-DYESRHJHSA-N 461.544 0.751 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1)NC(=O)OC(C)(C)C 1778793877 UIMMSXTYVWTLLX-JTUHZDRVSA-N 498.577 0.740 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1)c1ccc(O)cc1 1779094435 FWWLHNMHSAQWEB-ZWSUVBHBSA-N 471.554 0.370 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1779338016 HRKROVSTGBMWSV-DBYOASNMSA-N 450.624 0.709 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1781166524 RJUTXUIUODKQJI-JPYJTQIMSA-N 499.630 0.948 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1781168900 XJPHTSLFWIRFRO-QZTZHPFYSA-N 494.589 0.576 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1781170002 JSBAXCLGOLBUJT-QHCPKHFHSA-N 474.514 0.445 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CC(=O)NC2=O)C3)c1 1782971063 VMUBTOVSDVWZCZ-LSRZYVKLSA-N 467.526 0.993 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783440835 UNWUVLIVDWNDFS-BXKMTCNYSA-N 475.542 0.942 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785363982 UOGCALCWGBOPQK-KSFYIVLOSA-N 450.536 0.786 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1785426194 MQCBXJGYZWERSF-QHCPKHFHSA-N 472.546 0.886 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1785429338 CJDXKCCIXOBGLO-QOAPGFADSA-N 499.564 0.627 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]3C2)c(O)n1 1786894489 CDMQJXNECZOTAN-FZDIXFNVSA-N 460.531 0.562 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1787509853 KAQLXSWHCKJWPY-AUHSXMTCSA-N 471.535 0.782 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1788700266 BNIXXMZTXCMTKX-CJFIXGCPSA-N 476.537 0.689 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccc(OC)c3OC)[C@H]2C1 1789410172 JZQLLZYKHGVRCT-LQHLUTLQSA-N 458.515 0.551 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21)N1CCN(C)CC1 1789794831 DLDUPJWOCQJORY-PVSGBFIBSA-N 453.587 0.716 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791330250 XPTHTCIVCHPGTJ-YTEZWJELSA-N 481.590 0.929 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1792146371 NPSSDCSVSSQDOD-QNGDSUCJSA-N 485.566 0.719 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)C2 1793340473 XJITWMAYQUJDEW-FCQWJQKHSA-N 460.527 0.883 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1793380094 MOIYPBFXFOTGAC-VAKZPMALSA-N 475.615 0.566 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CN 1795514204 HMDVVSXCYGHPKA-UJWQCDCRSA-N 450.580 0.868 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1I 1798114145 ITHMYCQFOZHMSO-SDNRWEOFSA-N 450.302 0.536 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3CC3)C4)C[C@H]1CO2 1799156884 OFEVAIXXZUIXRV-DURIQHOJSA-N 459.543 0.768 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C 1799248016 MSHRJAPJLQGAIP-YYAJDYIMSA-N 453.536 0.999 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1799249078 BWUSKPCXWYMSRK-DFGXFYAUSA-N 480.562 0.972 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(NC(C)=O)c1ccccc1F 1799405157 OFDDNSJXBBLUQY-ABRPMZAKSA-N 459.518 0.805 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800245062 JXBUJKWZQMLOKV-HATOLVCRSA-N 456.543 0.482 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)ccc2C1 1800779690 SMUOVRSCBFUJPK-FAQVEIGNSA-N 498.536 0.666 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1802498757 PVFVJBPIOSXHNW-YTWXUOMVSA-N 480.525 0.217 30 20 JCED N#CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806289505 PFUCFNUPXQECHP-MIALQEHNSA-N 470.555 0.181 30 20 JCED N#CCCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806871580 MWHUHFWILYCBSY-BMQTXXJKSA-N 484.582 0.571 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807153077 WGOFALOTMODONT-FCEUIQTBSA-N 494.600 0.840 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810094574 LJKJGTFLBXQKNH-CMKJNKEVSA-N 457.487 0.864 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1812978977 BIRYALVPYQTATN-HCXYKTFWSA-N 460.579 0.843 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNC(=O)C(F)(F)F)[nH]n1 1814439480 LPUJWEQCBTXYSJ-FWWRYZNZSA-N 456.425 0.939 30 20 JCED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc4n(n2)CCNC4=O)CC3)c1 1821600229 KYYIUMPCSFQZDK-LLVKDONJSA-N 450.484 0.822 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975706 GHHQHURJBKLJHZ-HCZHMGAMSA-N 480.631 0.195 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1829267390 WMITYUQHSQLNOQ-VWLOTQADSA-N 493.520 0.798 30 20 JCED COCCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332430 LEFXOBCRXYHTIT-QHCPKHFHSA-N 457.483 0.563 30 20 JCED COC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332526 PXBACKJATMSBEU-XMMPIXPASA-N 485.493 0.480 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CCN(C)CC2)CCO3)c(C#N)c1 1829894013 DWNUBEORTZXKTB-RUZDIDTESA-N 470.570 0.908 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830059715 DOBLTSIXVGMWDE-AOMKIAJQSA-N 468.551 0.268 30 20 JCED CN(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)CC1)C(=O)C(=O)O 1831166041 XZBZVAAOGVNRIG-MQKWGWFZSA-N 466.535 0.678 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831277174 ZIQSKHJZUUTYEK-HXOBKFHXSA-N 482.578 0.438 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1831386412 GMPWOKMVAZUULQ-SBUREZEXSA-N 473.551 0.558 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1831421085 DGSPFBQSLCBVNM-KKSFZXQISA-N 467.544 0.146 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1831421491 KDJJUKOIPZTHKC-WMZHIEFXSA-N 480.583 0.898 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1831999030 XEACGARSUTWBOB-YADARESESA-N 496.605 0.781 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1832000445 PKAASBUFYSHGRA-MBSDFSHPSA-N 482.578 0.438 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1832461394 USNGYHPSMCMURM-QHCPKHFHSA-N 460.600 0.759 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833615400 SXGZCGKHUFTLAQ-BWKNWUBXSA-N 488.585 0.561 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833653231 ZQQTYWCTFFAQFA-YKSBVNFPSA-N 469.542 0.910 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834756012 ILCIXDWESRIVKW-FDDCHVKYSA-N 488.545 0.545 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1835102669 VJIZKYMZCDZHOM-RUZDIDTESA-N 494.573 0.400 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c1 1835444823 AGHAARCJNBHNBD-XMMPIXPASA-N 472.542 0.359 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNc3ccc(F)cc3)C2)C1 1835673916 BEEJGCXUTWFDFF-HSZRJFAPSA-N 461.538 0.976 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1835674744 LKHOBWAAWWSMAS-QFIPXVFZSA-N 489.964 0.963 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1835680960 PVQMUIYAHBUMIR-DEOSSOPVSA-N 481.557 0.619 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)cc1 1836255438 CBSNLCYLSNSWEL-QHCPKHFHSA-N 499.549 0.022 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1836470446 XSXNCBDZLYEZSW-AMFJNGDOSA-N 470.482 0.635 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836725827 FSMNILRGJHKHHN-UUOWRZLLSA-N 493.557 0.711 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1837400426 FJEFBHBEFVHVMZ-GAJHUEQPSA-N 469.579 0.929 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1837405701 ZKAUEJVBAJBZBB-REKSSAIRSA-N 476.526 0.846 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837491692 UUUMJJQBNOADTL-XMMPIXPASA-N 474.558 0.298 30 20 JCED COC1(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CCC1 1837532312 BFWZVXHROHVRNW-CVUWTOEQSA-N 453.536 0.931 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)nc1OC)CCO2 1838170228 HQDPHBZBBODFSL-XBKFQHLESA-N 458.515 0.327 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3n1CCN(C(=O)OC(C)(C)C)C3)CCO2 1838414810 NELRQLHLRMHIOF-QHCPKHFHSA-N 473.530 0.337 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838578084 DMGUNWSNGAMYHR-OFNKIYASSA-N 458.515 0.552 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1839109743 SZEAAFGFTFHDGE-STSQHVNTSA-N 465.547 0.084 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CC34CCCN3CCC4)CCO2)C1 1839117622 XRKWMOFCJBWHNM-DEOSSOPVSA-N 461.607 0.743 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1839223948 CACNZHBTNUJIDV-NSXLHWASSA-N 458.559 0.958 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839380325 DBBVDTUKCREBFD-RDPSFJRHSA-N 469.542 0.910 30 20 JCED Cc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487672 RYJKFNRMESMSAU-QHCPKHFHSA-N 463.498 0.860 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839655448 YVRYLNVSBDMXJZ-JOCHJYFZSA-N 459.572 0.307 30 20 JCED CN(C)[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1Cl 1839734440 ZAYDRTDIHINRFR-RBBKRZOGSA-N 463.918 0.487 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1)C(F)(F)F 1839894667 KMQUTJGLJBRNEZ-YWZLYKJASA-N 470.448 0.775 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1)c1ccccc1 1840157701 YAYATTGIANGOKK-XPIZARPCSA-N 451.545 0.858 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCn5ccnn5)CCO4)C3)c2c1 1840448797 JVGVLVXMVASCKG-JOCHJYFZSA-N 464.486 0.186 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814991 PUDRBKKPMCDZDJ-GAJHUEQPSA-N 480.562 0.412 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)C2)C1 1840840096 XMNBQEQAMBDFKJ-UQBPGWFLSA-N 469.538 0.918 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1c[nH]c3ncccc13)CCO2 1840869427 XPXWFCLULHBEBA-JOLZLKTMSA-N 481.553 0.810 30 20 JCED O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840880753 JEQWUZXSEXMRKT-MICSQODNSA-N 485.493 0.985 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1840907435 VDAVFJWUSBKATG-VFNWGFHPSA-N 479.559 0.525 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1840959129 UNHGPWVOSZVDJT-HXOBKFHXSA-N 480.562 0.628 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1845209902 DZGNTYGQZUMRBJ-RBUKOAKNSA-N 471.558 0.654 30 20 JCED C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)C2 1845957683 BUQSTBJKELMSLH-SFHVURJKSA-N 460.575 0.923 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1846282045 FVVDEKNUJQYCIV-KRWDZBQOSA-N 458.515 0.508 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1846366091 QHNSVWMSPYPPEV-XWTMOSNGSA-N 492.573 0.888 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nnc4ccccc4c3=O)CC2)cc1 26943774 QELAHXZBHDQAON-UHFFFAOYSA-N 452.496 0.586 30 20 JCED COCCCN(C(=O)Cn1cccc(C#N)c1=O)c1c(O)nc(=O)n(Cc2ccccc2)c1N 487995279 JANITGLDZCHRNR-UHFFFAOYSA-N 464.482 0.682 30 20 JCED Cn1c(=O)c2cc(C(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cnc2n(C)c1=O 495313898 ASXOAXRSFJHDAU-UHFFFAOYSA-N 461.438 0.714 30 20 JCED C=CCn1c(SCCCS(N)(=O)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 502819620 JRNBQWAIKADWSG-UHFFFAOYSA-N 487.629 0.923 30 20 JCED COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(CC#N)CC#N)CC2)c(C(=O)OC)c1C 503652398 BHVMFXIDFZMNHV-UHFFFAOYSA-N 482.540 0.906 30 20 JCED CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 518822983 NIIAEAHULNCFTJ-IBGZPJMESA-N 461.519 0.647 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(=O)N(C)C 604270194 SJBFJMYMMLPBHJ-UHFFFAOYSA-N 457.512 0.326 30 20 JCED N#Cc1c(NC(=O)CCN2CCN(C(=O)C(=O)N3CCOCC3)CC2)sc2c1CCCC2 619506618 MPNFLNRCBVYEET-UHFFFAOYSA-N 459.572 0.830 30 20 JCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)Cn1[nH]cc3c(=O)ncnc1-3)CCCC2 730659463 WJBBVJOYDAOWEF-CQSZACIVSA-N 479.497 0.984 30 20 JCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(N3CCOCC3)cc2)c1=O 914579992 SBDBUBMFIXZXAE-UHFFFAOYSA-N 453.564 0.637 30 20 JCED C=CCn1c(-c2ccco2)nn(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1=S 915209567 ZDCYAOJEIIGGDP-UHFFFAOYSA-N 467.621 0.927 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN(C)S(=O)(=O)c3ccc(C)c(C)c3)CC2)o1 915385049 LTEPCXWJAVSAAF-UHFFFAOYSA-N 489.554 0.984 30 20 JCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCOC)c2=O)cc1 916199456 GVBPQBDKGLRBHU-UHFFFAOYSA-N 470.595 0.622 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CC(=O)N(C)C 918729283 GCBUTRMKHBAPDA-UHFFFAOYSA-N 462.959 0.689 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1288825798 LTYHANMGHUPWBU-AUUYWEPGSA-N 455.560 0.979 30 20 JCED N#Cc1cn(CCC(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)c(=O)nc1O 1466756566 OYCCGOFJDYJGDK-KRWDZBQOSA-N 457.512 0.594 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 1503462425 QRTHAYDOCLNBTF-RTBURBONSA-N 476.559 0.534 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC1 1504532586 QBKFDEALNPBJSM-UHFFFAOYSA-N 475.575 0.440 30 20 JCED CS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1505135242 JBFRZECCIOCKMA-UHFFFAOYSA-N 452.544 0.902 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)COC)CC1 1539580706 ZPONFYXJHRFJBD-GFCCVEGCSA-N 479.401 0.528 30 20 JCED COCC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1555426337 IJSKBCHHDJUHTH-DENIHFKCSA-N 492.602 0.907 30 20 JCED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1559637761 ZGYHPXRYZRRWAM-NJAFHUGGSA-N 452.602 0.964 30 20 JCED Cc1cnn(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)c1 1612343316 NISGGBQHJAPTQH-KRWDZBQOSA-N 462.580 0.946 30 20 JCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1617312910 NUYOTJFEAHARIK-UHFFFAOYSA-N 453.528 0.908 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1695603429 RIKZEAZMVMILCG-VWLOTQADSA-N 497.600 0.871 30 20 JCED Cc1cccc(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)n1 1707609272 KYAHRGHVPXRBRY-MOPGFXCFSA-N 475.575 0.676 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1747544200 OSRPQPRZYSSQLC-LJQANCHMSA-N 453.547 0.975 30 20 JCED C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1752420915 LBQITPFSJKHYHN-LJQANCHMSA-N 483.573 0.744 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1778121940 RFZRYSFHPMTMRD-HSZRJFAPSA-N 463.579 0.965 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)ccc21 1779100717 DRFMRHASNYUSLQ-APRFEEGUSA-N 485.541 0.850 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337379 MJKPCJNKGBLPDC-OPAMFIHVSA-N 461.519 0.606 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1781051380 SZJUQQGEHKBRRA-KLQLHJPASA-N 469.579 0.917 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1781310974 ZTQBQFHVXYBEER-FHAGJXEFSA-N 484.553 0.966 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782787362 XKSBIAUQVGOODB-QHCPKHFHSA-N 481.465 0.537 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1783767186 OVOTZPXAZOLIBU-MWTRTKDXSA-N 477.562 0.894 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)CCO2)C1 1783896309 YKTLTRAMLJHNAI-VBKZILBWSA-N 468.576 0.900 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1785179067 VYPUPAUWDJBNIR-ICTHTSFCSA-N 458.471 0.905 30 20 JCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C[C@@H]21 1786368800 QCIACXSTAZRBOU-WBAXXEDZSA-N 468.963 0.902 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786706376 SSJDKQSTNYZZOJ-QAETUUGQSA-N 466.535 0.726 30 20 JCED Cc1cc(NC(=O)CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)no1 1787491713 IWYYVUHBXKUJGO-XRMPQZIWSA-N 477.518 0.820 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1788470515 APFMZCHCDSODNM-ONUVOJBVSA-N 465.528 0.531 30 20 JCED Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)c(=O)[nH]c1C 1788629998 LVRGERKNQACZTL-FHWLQOOXSA-N 456.543 0.679 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(C#N)cc4)[C@H]3C2)no1 1789572973 FMAZZMOJLXKYHR-BJLQDIEVSA-N 451.483 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3-n3nccn3)[C@H]2C1 1790166106 OXPDWMLWDTWQIQ-GSWSRBKMSA-N 464.526 0.719 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](CCN(C)C)(Cc3ccccc3)C(=O)O)[C@H]2C1 1790662431 GUNXYTIGMMHUHW-UKDJSQQHSA-N 455.555 0.865 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)CO2)C1 1791020862 HIYUEJOIZJJPIC-MHORFTMASA-N 462.547 0.906 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C[C@@H]21 1791261603 RCKLWIWTNHNPBK-FRMKIJSPSA-N 471.620 0.902 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C[C@@H]21 1791263928 SNIWKRKHPHGQLZ-JURCDPSOSA-N 480.612 0.139 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792147358 NXRNJUQJRZJZOP-LGGPRVQUSA-N 487.509 0.412 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)c3ccccc3o1)C2 1792484845 WZNWQNKENSNGJS-JVDGZWEOSA-N 451.479 0.855 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)C#N)C[C@H]1CO2 1792633209 GOHPJPWDUAAMLJ-TURABVPUSA-N 462.547 0.904 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)CC 1793244904 XYELVTVRFBXLSR-QLCXLMDBSA-N 466.579 0.960 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)C2 1793347992 UYDPDHZYFCAUBW-TVRNETQVSA-N 454.449 0.771 30 20 JCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1793569477 VTTLUHGWFIOQCR-QXCZDIPSSA-N 499.630 0.991 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Cn1cncn1)C2 1793597526 NFHOJAOKQVRZRA-UJWQCDCRSA-N 476.578 0.973 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccc2sccc2c1=O 1794041329 MAHQIYCHUOBBKB-RUMDQQRQSA-N 470.551 0.511 30 20 JCED CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)n1 1794280499 UWZFUUSCAWQXME-NNYDRLTOSA-N 459.503 0.772 30 20 JCED Cn1ncnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1794571883 LTUMJXVMQKDILP-BJWYYQGGSA-N 487.561 0.559 30 20 JCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)C2 1795086262 ZDSXQDOLNAESNK-FAQVEIGNSA-N 452.511 0.585 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1796448281 KDSRBJWIFSMDOU-KCSWZWPMSA-N 452.554 0.654 30 20 JCED CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)C(C)(C)C 1797809790 GHPMCMOOBANJRO-VKAGCSIUSA-N 452.552 0.656 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1797811559 AWSPOHYIVIBDLM-IJOAMSGDSA-N 456.499 0.662 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799196006 LPAXMSWZACIZQG-HVKXIDHRSA-N 471.620 0.758 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)C2(CCOCC2)c2ccccc21 1799838774 OCFLYDBDYIPDNR-BCDXTJNWSA-N 465.506 0.808 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)NC(=O)CS2 1800036749 XSYQBAJASWUPHN-GXDSFMDGSA-N 471.539 0.187 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc3nnn(CC4CC4)c31)C2 1800450596 CUOYVQZBPBJPAA-NYUBLWNDSA-N 498.584 0.745 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)cc1 1802579307 NHKWVAVEYWJVFA-QPTUXGOLSA-N 463.538 0.852 30 20 JCED N#CC1(C(=O)N2CC[C@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)CCC1 1804197206 UCXTXZKOKKCDQA-QUCCMNQESA-N 459.572 0.512 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3c3cccnc3)c2c1 1807048272 BFOHUVYCAOSMRM-TVTNDZMWSA-N 474.525 0.742 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)c(C#N)c1 1807049049 WJHYDKWVMQCZLL-ZHRMCQFGSA-N 478.553 0.803 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1810278835 MDIZQGMEALPZMF-RCMSRTDESA-N 455.519 0.111 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CN)sc3C2)c(C(F)(F)F)n1 1817065186 JVVCTRPUOIMKDW-KCJUWKMLSA-N 453.450 0.940 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807887 XFZNDDIUGJXOMU-AUSIDOKSSA-N 487.513 0.417 30 20 JCED CN1CCN(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CCC#N)C3)C2)CC1 1829105618 RJDUHYNNSCEXMM-SANMLTNESA-N 496.612 0.990 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1829262587 UTCKAXCITORPKZ-RUZDIDTESA-N 490.520 0.325 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5ncccc45)C3)C2)cc1 1829902419 QQXMBFDRLZHXFA-DEOSSOPVSA-N 460.494 0.914 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)ccc1Br)CCO2 1830170521 OWKSKRPZNNHEGX-IBGZPJMESA-N 469.263 0.746 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1830573735 NWYOXFVMKZBEEI-OPAMFIHVSA-N 466.535 0.022 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831225766 ZLIVGIIVNUUERJ-BJKOFHAPSA-N 477.558 0.228 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1831396646 ONSPRFAMVUJICK-VSDWSMLSSA-N 457.483 0.216 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(NC(=O)OC(C)(C)C)(C3)C4)C2)C1 1831401373 AYAYDXQVPPHSKL-VLXQJXAPSA-N 491.585 0.929 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831464847 SOJQIFJJYGJPGM-VFNWGFHPSA-N 467.519 0.448 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)cc1 1831727719 UZOSMWCULFXHDJ-HSZRJFAPSA-N 451.483 0.757 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1832729495 GFXKGTOXHFDEOQ-XMMPIXPASA-N 481.484 0.592 30 20 JCED CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1834943256 IIOBJIFAJCPWMT-FQEVSTJZSA-N 465.348 0.952 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1835114570 OUYKRAIYLYRBLN-HNAYVOBHSA-N 493.630 0.870 30 20 JCED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(=O)OC(C)(C)C 1835211803 ZFGVJPGJBUHMEV-XKUSAJHISA-N 498.577 0.839 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1835362600 PACSGRTZVLMNSF-BFUOFWGJSA-N 455.437 0.903 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1835710210 MFQKMWVDNIQADS-LPHOPBHVSA-N 451.612 0.839 30 20 JCED CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731757 BDRKJJWFYXCWNV-KOEQRZSOSA-N 465.668 0.514 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1)n1cnnn1 1835754298 XTDRSOGEZCOBFO-SFHVURJKSA-N 457.579 0.504 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)/C=C/C(=O)NCc3ccco3)CC2)CC1 1835806040 UWQWPTVSRCUICZ-ONEGZZNKSA-N 456.499 0.112 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2sc4nccnc4c2N)CCO3)c1 1835876513 LCUXRUKOSWSKRU-OAQYLSRUSA-N 467.511 0.857 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(C)C 1837216904 IZEBPLUSWVHYNV-XMSQKQJNSA-N 452.552 0.312 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1837430127 KBNMLFORPQGZNU-JTHBVZDNSA-N 481.666 0.145 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1837440456 KBBNQYKWGYFECE-FZZUMWNJSA-N 472.542 0.755 30 20 JCED CC(C)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(C)C 1837442319 VWLCJGZRJZNJGT-FVOVQBGFSA-N 451.612 0.937 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1837447298 WXXZFCXVADLTIM-PODSUIKTSA-N 481.557 0.809 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)n1cccc1C=O 1837527022 ILRVUQLRXRGBMG-FJAUERAPSA-N 476.530 0.847 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1837527076 XGTYCGNXHRGGIN-CPDZXGBDSA-N 485.541 0.862 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531051 WIQABHCIFFNZAK-UELCCTMMSA-N 463.535 0.554 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1838567664 JEASWLANVBXEJJ-DEOSSOPVSA-N 456.495 0.319 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)c1 1838582160 DASKHEMRFSGJNI-HSZRJFAPSA-N 472.498 0.479 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)c1 1838582646 XPRBWRRCJYZMET-JOCHJYFZSA-N 453.455 0.446 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)ccc1O 1838973911 JTMWIYQAZPHNQO-UYAPEEHZSA-N 477.514 1.000 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1839109250 YUUZBWCKWIZGFO-STSQHVNTSA-N 499.630 0.590 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccncc4O)C3)C2)c(C#N)c1 1839132905 SRUXZQJVOYFHDL-DEOSSOPVSA-N 466.494 0.980 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839163986 UDVDJSQGTDTHKC-BSRJHKFKSA-N 482.578 0.437 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1839176223 CFBFKXYETGGGEH-VWLOTQADSA-N 486.569 0.349 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1839227404 PUEZESKZCRCBFE-KSFYIVLOSA-N 474.518 0.202 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1839228301 YQSZBCMDSGZKDQ-IIBYNOLFSA-N 456.540 0.768 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839371426 VIVPMHSHJQXZHX-DEOSSOPVSA-N 452.463 0.925 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839652738 UCMBXNUPLZYIKZ-HSZRJFAPSA-N 473.599 0.431 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NO[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 1839810856 VUDJYBDATGTUAK-DHIUTWEWSA-N 476.530 0.232 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4nccnc4CN3C(=O)OC(C)(C)C)C2)C1 1839811076 FGLDDENEVXCYLT-DVECYGJZSA-N 485.541 0.228 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839888574 VDUTXIVRHKTEJW-HXUWFJFHSA-N 454.474 0.802 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840048144 RRSUIXLQVRQTBD-NANGKKJLSA-N 478.546 0.115 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1)c1ccc(O)cc1 1840221205 DIBOZDSOPQSAFR-QVNIBDNGSA-N 469.538 0.624 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cccnc2)C1 1841970972 GGJWWVWFYFCOLJ-SFHVURJKSA-N 469.542 0.931 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)C2=NNC(=O)C2)C3)CC1 1845137274 CJMNHUCOZHEMNG-UHFFFAOYSA-N 458.519 0.607 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#Cc2ccc(Cl)cc2)n(C)c1=O 1847474187 YUTVZUWJFHNVBY-ROUUACIJSA-N 494.939 0.341 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CCN(C)CC1 516828184 ZXTVNESLNGNPGE-UHFFFAOYSA-N 482.606 0.767 30 20 JCED Cc1ccc(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1S(=O)(=O)NCC#N 521753517 NMZRFPLZOVCCNZ-UHFFFAOYSA-N 470.555 0.824 30 20 JCED N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(N)=O 593991837 UWCFHJFRULIPFD-UHFFFAOYSA-N 469.425 0.788 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(=O)N(C)C 604508434 WPOJNYINRJAFGK-UHFFFAOYSA-N 464.494 0.629 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3c(F)cccc3F)c2=O)cn1 608883963 NNBWSBSNVAGLKH-UHFFFAOYSA-N 484.484 0.943 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577434 POEWUKACTHVHRH-UHFFFAOYSA-N 450.524 0.151 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)c2=O)c1 726582294 CSBXVPUMYWOUQG-UHFFFAOYSA-N 488.481 0.809 30 20 JCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 726995750 BYOKXMGGCLVWKY-RHSMWYFYSA-N 471.495 0.261 30 20 JCED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 727623426 HUCOWMWLVJXLRL-UHFFFAOYSA-N 482.566 0.878 30 20 JCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC1 728573489 YBVBANRCHZKNEF-AWEZNQCLSA-N 451.449 0.746 30 20 JCED C#CCCN1CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 744371003 LEEJGIOGGXVTLP-UHFFFAOYSA-N 460.556 0.937 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)ccc1F 914658930 RKXOTSUUCLQDOB-CQSZACIVSA-N 462.521 0.482 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3[N+](=O)[O-])c(=O)n2CCOC)CC1 916200164 WIQZYMGXDAIDBP-UHFFFAOYSA-N 471.539 0.132 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2COCCO2)C1 1302479242 LQSXWRJMVRWFPJ-SJORKVTESA-N 454.553 0.156 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359084764 RCFMGBKSUVBRMV-ZIAGYGMSSA-N 496.453 0.854 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(S(C)(=O)=O)CCCC1 1360672402 QRWMLLHABDNPFA-CQSZACIVSA-N 458.610 0.986 30 20 JCED CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1503683180 ULEVNXFVLCAVHT-LJQANCHMSA-N 471.587 0.604 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CCO1 1517545499 OOVBLGVSSFIYSX-QUCCMNQESA-N 497.556 0.175 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1554442642 RYKCDXWKYICXJP-CQSZACIVSA-N 451.409 0.446 30 20 JCED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H](C)O1 1555389637 RDGBMGUHSRICTM-QFBILLFUSA-N 475.571 0.997 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(C)=O)C1 1589404538 KNCLUZYFKWWRLY-HUUCEWRRSA-N 491.412 0.625 30 20 JCED CC[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617431504 FVSFIILZVROASW-MYGHRHJXSA-N 477.616 0.542 30 20 JCED CN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C1CCCC1 1618277955 OFEVNBOSWVJEJY-MSOLQXFVSA-N 467.596 0.214 30 20 JCED Cc1ccc(OCC(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 1638275133 KHMHCKNQLHAIAE-UHFFFAOYSA-N 456.524 0.895 30 20 JCED CN(C)S(=O)(=O)c1cccc(NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c1 1656572620 WOKINFQWWNCNPR-UHFFFAOYSA-N 459.528 0.441 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1706865458 AMHXASJPPVSANC-LSDHHAIUSA-N 458.610 0.843 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722483993 GQGXWPIMAYCJAB-AWEZNQCLSA-N 496.453 0.854 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1767838306 JTMZOZCFVLYLJL-UHFFFAOYSA-N 454.535 0.962 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(C#N)c[nH]3)C2)no1 1780180935 XKATZVSXWVNVKK-XMSQKQJNSA-N 454.487 0.740 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1781167041 ZPUUMUOSHJUTNU-MBSDFSHPSA-N 464.563 0.649 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1)C(C)(C)S 1783778038 OHMRUZMIZNBDEU-IERDGZPVSA-N 482.607 0.710 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1)NC(=O)OC(C)(C)C 1785306728 MENMBYFNXXKXRY-ZHRRBRCNSA-N 452.552 0.812 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1785574971 WFTGNPLVECXESG-FDDCHVKYSA-N 464.563 0.065 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1n[nH]c2c1CS(=O)(=O)C2 1787152541 RDZBUOXTFSZDAY-ABKAYFEZSA-N 475.527 0.144 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789841377 IASXVKXOFRFKEH-GWKIZSTFSA-N 471.558 0.797 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789935133 DGWAJXFOBDQNIK-DSSUSFPESA-N 494.589 0.100 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1792146214 JNPKSSYPRAFDGG-ZVZYQTTQSA-N 453.455 0.432 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792777396 JVAQCBSYZAFGBM-CWFFCZEZSA-N 463.600 0.710 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)C2 1793346590 HFQPNLSZQNUZDQ-BKEDOTJMSA-N 468.959 0.985 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)C2 1793347924 PVRJIHNEYAKMED-LQIVVWRTSA-N 479.574 0.375 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(N2CCCNC(=O)C2)n1 1794839604 MITBAGQANPJCAM-NRSBMGDRSA-N 480.569 0.518 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(F)(F)F 1796300213 QBXHUOGBVQTOOL-CRWXNKLISA-N 451.442 0.580 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1797783401 OYHPBBUGUJPPLJ-OPMZPASUSA-N 466.538 0.868 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798589884 OPSXMNGKGHBSGH-ZDFLXESQSA-N 450.879 0.479 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C 1799396016 NGVQKLMMILLDPR-LVEJAMMSSA-N 498.577 0.833 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1OC[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]13)C2 1800454867 LWJBYPZCJYKENY-VGDDQXJSSA-N 461.559 0.871 30 20 JCED CC(C)(C)OC(=O)Nc1ncc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)s1 1800781002 CFTSIIGQFPUIPJ-IVWMJMPLSA-N 478.527 0.710 30 20 JCED CC(C)[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)NC(=O)OC(C)(C)C 1800898224 QCLJIQBJSONBPU-UIVXKWKOSA-N 451.520 0.603 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2 1802128013 MCBLVINUQYIQDB-JFMONLCZSA-N 450.536 0.017 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C2(N3CCN(C)CC3)CC2)[C@@H]1c1cccnc1 1802486732 ASODWOMRFXUSFN-JXKKUSOBSA-N 480.613 0.726 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1811407988 VDVFGUOCTDSACF-KKSFZXQISA-N 499.491 0.721 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975542 YFCVKCCGBGNQCW-VQTJNVASSA-N 469.648 0.910 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CC2 1825666838 DLSXNUKONXFPNC-JTQLQIEISA-N 477.462 0.341 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cnnn3C)C2)C1 1828579987 LJFYSUNXFWASQH-UQBPGWFLSA-N 494.552 0.919 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 1829332489 NVMQFXRQFICICB-RUZDIDTESA-N 496.520 0.149 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4C(=O)OC(C)(C)C)C3)C2)C1 1829666478 FSJGHPLYLOVPOH-AXHZCLLHSA-N 479.574 0.779 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461381 FQTWMNLNSPNMIL-YADARESESA-N 466.542 0.875 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1)C(C)(C)C 1831095143 HPSQOGNQTGLETR-CECAUBDESA-N 454.568 0.795 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1)c1ccc(O)cc1 1831280506 DJBGWKMWGVBGRR-DVECYGJZSA-N 457.527 0.482 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1831420583 YMDPDBUXZDGWKT-IERDGZPVSA-N 467.544 0.146 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1831997781 GCSSJDPXQIZPOJ-OPAMFIHVSA-N 463.535 0.949 30 20 JCED O=C(CNC(=O)C(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832193989 VOESWKHPDONXJR-CYBMUJFWSA-N 453.311 0.022 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832206345 UOKKMTUACLXHRM-HAGRQHFESA-N 486.529 0.417 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1832793407 XNIKBWBFNMUKFT-LJQANCHMSA-N 490.524 0.997 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc[n+]([O-])c4)CCO3)C2)c(C(F)(F)F)n1 1833274083 XRJPSQUJAHYQFE-OAQYLSRUSA-N 491.426 0.989 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CC2)CC1 1833464885 ARTOQISVYQFALK-NQIIRXRSSA-N 494.633 0.872 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(C(=O)O)ncn5)CCO4)C3)c2c1 1833497220 FXWFJTHPMQKMEE-HSZRJFAPSA-N 491.464 0.307 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](COC)NC(C)=O)C3)C2)c(O)n1 1833700346 WLSDXYQSPBOSKT-RDPSFJRHSA-N 490.557 0.127 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1834715134 CORKCDOGNQTVLL-UHFFFAOYSA-N 460.539 0.785 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834766951 HEYTVTOCMNZZCP-JWQCQUIFSA-N 486.569 0.622 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1835101575 ABHJIMJINQDZAJ-HSZRJFAPSA-N 452.467 0.069 30 20 JCED Cn1ncc(I)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342033 ODWJFZBXSDQUCU-SFHVURJKSA-N 499.309 0.398 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1835677330 NSPVWFFXNZCSGF-HSZRJFAPSA-N 458.563 0.571 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1835678050 VZLRIRWZHKHQQQ-QFIPXVFZSA-N 479.965 0.852 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835860381 RRMVSGXOZGWZAH-AIYSXCBHSA-N 491.545 0.655 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cn6cccnc6n5)CCO4)C3)c2c1 1836893534 ABCWHAMGGAQTTO-DEOSSOPVSA-N 486.492 0.861 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cc(C)cnc34)CCO2)C1 1836949350 JDVKJVJGQKHRLF-VGOFRKELSA-N 458.519 0.909 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)c1 1837076796 SSLHAGPDZGWLPY-UHFFFAOYSA-N 483.525 0.731 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1837405055 GGQPNHHRRSXBFV-SBUREZEXSA-N 469.579 0.931 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1)c1ccccc1 1837611732 KHESNQSKLMRIAK-WXVAWEFUSA-N 493.560 0.955 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837636836 OHVKRHUXIUOMJO-DGQXCUQSSA-N 489.525 0.418 30 20 JCED O=C(C#Cc1ccccc1)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1837730684 YSZVTMFEQOTRNQ-VWLOTQADSA-N 455.555 0.687 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]cc4I)CCO3)C2)CCC1 1837963161 FEURFUMDFZFWIS-GOSISDBHSA-N 499.309 0.778 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1838195603 QBEAXWHUXPBQFC-ALUBYUQESA-N 475.546 0.747 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838418888 WONOTTWUFFWKKM-ZHRRBRCNSA-N 476.555 0.399 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)nn1C(F)F 1838705878 FRBCXNQPNVKCOV-OAQYLSRUSA-N 468.505 0.939 30 20 JCED COc1ncccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838731887 CDUHARVMCHCAGS-QHCPKHFHSA-N 453.499 0.993 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n(C)n4)C3)C2)c(C#N)c1 1839131478 GXICBLKPVKQXDZ-QHCPKHFHSA-N 469.498 0.319 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1839173239 GCIYQZMKWFOZGF-QHCPKHFHSA-N 451.564 0.684 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1839185727 JPBFAGAFSCLLHJ-CYFREDJKSA-N 480.606 0.864 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839207469 XVGKJUDFGUJINZ-IUOVYFEOSA-N 457.369 0.842 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(F)c(OC)c1F 1839417717 KKFLJVXXCLUTJA-NRFANRHFSA-N 468.409 0.140 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)c(Cl)c1 1839423529 HZTGIRLNYCWPBG-OAQYLSRUSA-N 460.922 0.122 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c(Cl)c1 1839424411 HSTDRAZYJRDWCP-NQIIRXRSSA-N 481.958 0.859 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1840176761 UWJKUKDAUJPJJN-VGOFRKELSA-N 469.535 0.475 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)N(C)C)C3)C2)cc1C#N 1840762628 GZVOTOHONTVYFS-XMMPIXPASA-N 487.557 0.687 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)cc1C#N 1840763069 FZEFBJZCCWWRFJ-DEOSSOPVSA-N 497.508 0.930 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)cc1C#N 1840763150 KYYYEBCFDDWUPE-QFIPXVFZSA-N 469.502 0.102 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)N1C[C@H]2C[C@H]2C1 1840819832 IERLCTUCBVKDIH-MASGSYHESA-N 468.554 0.734 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840879987 RGWVVBALKSXIEI-JREJRMLUSA-N 460.483 0.311 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ncon2)C1 1844592865 BIZIVOZBSVODFS-CQSZACIVSA-N 478.506 0.692 30 20 JCED CC(C)Cn1c(N)c(C(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)c(=O)n(C)c1=O 29243212 IFZCYEYXIQXVDG-UHFFFAOYSA-N 455.519 0.527 30 20 JCED C=CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)CC1 105518431 CRGAAYOBFBTIGB-SFHVURJKSA-N 454.618 0.533 30 20 JCED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)ccc1C 604218808 LGVDCDMJHDEAID-UHFFFAOYSA-N 472.527 0.928 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(=O)N(C)C 604269909 IKTQEYKOAQVPNN-UHFFFAOYSA-N 478.521 0.322 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC(N)=O 608911775 PLGFBNFZTKFYIL-UHFFFAOYSA-N 478.530 0.944 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CCNS(C)(=O)=O 608912167 GTHMCGFBVFJCOV-UHFFFAOYSA-N 499.014 0.150 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 610431609 IEFMIBRQKDIDJJ-UHFFFAOYSA-N 480.543 0.899 30 20 JCED O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 617656378 WYKPLLYMFFUHSX-UHFFFAOYSA-N 488.591 0.808 30 20 JCED CCS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 726401805 SKIZSISBFVAVCD-CQSZACIVSA-N 455.562 0.183 30 20 JCED CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2C#N)CC1 1503840426 WHKGTRDARXUJLK-UHFFFAOYSA-N 483.602 0.887 30 20 JCED CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1515057068 JTJCKXFVSPWTAE-UHFFFAOYSA-N 452.563 0.991 30 20 JCED CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1516019978 ZBQYYRJRMHFBHR-UHFFFAOYSA-N 476.488 0.962 30 20 JCED CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1516775697 LZCHUUHGDXHCHN-UHFFFAOYSA-N 466.589 0.769 30 20 JCED Cc1ncc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)s1 1693380675 VYAYJYLTIUKWCG-IUODEOHRSA-N 450.594 0.878 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1729370238 ZEGWTQZUBARCSP-DLBZAZTESA-N 479.584 0.787 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(N(C)C)CCCC1 1751229423 OOCLGXRUFHGBFB-FUHWJXTLSA-N 464.640 0.939 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2ccnn2)CC1 1760374224 KPBDMIPASGKYKX-INIZCTEOSA-N 470.987 0.872 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1cnn(C)c1 1761498937 KKFJEHPRGMRALF-QGZVFWFLSA-N 483.602 0.864 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)c5nc6ncccn6n5)C4)C3)c2c1 1777832959 YZTORAIQZKBEPY-QFIPXVFZSA-N 457.454 0.630 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2)[C@H]1SC(=N)NC1=O 1778080546 JYENCBLEDHPIGB-GHZYGTOFSA-N 478.619 0.585 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778166909 LEWTZOORYIAKGT-CYFREDJKSA-N 456.543 0.743 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778919133 VVIIBNOXIDSYQD-ZDWFVDTJSA-N 474.562 0.945 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779423334 LEGQCYVSQQMJQJ-GEKCXGJESA-N 468.551 0.180 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780106354 YINFETWSDKFRPH-KOSHJBKYSA-N 472.542 0.745 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C3)cc1 1780408045 BBCDVTAWNOXXLV-YLJYHZDGSA-N 450.432 0.411 30 20 JCED C[C@@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170236 XWHSXCMIPJJTAH-UZUQRXQVSA-N 477.562 0.492 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(=O)Nc2cccnc2)CCO3)c(C#N)c1 1781172909 JCSKZEVUBQFRTO-XMMPIXPASA-N 463.494 0.973 30 20 JCED CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2)C(=O)C(=O)O 1782751469 HQIRWEBXOSYJPH-FQEVSTJZSA-N 493.314 0.307 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1782893733 SJARTAMNPIQPHZ-HOYKHHGWSA-N 478.590 0.991 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1783583186 LKYQUUAFXZWEPT-UQFYIQBQSA-N 469.604 0.893 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1784199422 MRJYLFKNTMPHGP-DKIMLUQUSA-N 460.531 0.848 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784913775 PMAKDPFAFFZGRM-XYOLNXMOSA-N 465.400 0.180 30 20 JCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1785016383 AFQDSNFXFXCTEK-BZSNNMDCSA-N 459.634 0.557 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1785578429 ZLSPNUJGJCIYJO-KKLRGSPBSA-N 474.558 0.568 30 20 JCED CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)c1 1785587213 GBCHUVXOOVUHOP-DRNYCHMQSA-N 494.570 0.607 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3=O)[C@H]2C1 1786735085 GOODBBQJNFUITR-OKYOBFRVSA-N 476.574 0.505 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3C2)cc1C#N 1786894625 VJGQRXDCISGQPK-ROPHOZQPSA-N 471.558 0.532 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1787505332 DZIVESFAUXMXLH-UEHOMPQGSA-N 495.623 0.892 30 20 JCED COc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc(OC)c1OC 1791072704 WGENIPMTEKLEKP-BXWFABGCSA-N 460.483 0.323 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)OCc1ccccc1)C2 1792490013 DTBRAWYKWFSHOX-SMUOFYOGSA-N 484.553 0.749 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H]1CC(=O)N(C2CCCC2)C1 1793777553 WSJJUSVBRAYNET-BGTHGAAWSA-N 476.574 0.896 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1)NC(=O)OC(C)(C)C 1795289406 IRBMYENZWMPMJN-WFNPHZEWSA-N 464.563 0.714 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCCN2C(=O)c4ccccc4C2=O)C3)CC1 1795408163 PWCSCVBMHZQZGO-CWPLJXCYSA-N 450.495 0.956 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1797812594 WJRLNVWOQPNFOG-KBTZEIBBSA-N 451.398 0.211 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)nn1 1798373474 VYVOAVIBYJXLBM-HIRMHNASSA-N 473.530 0.605 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2)c1cc(=O)nc2cccnn12 1798496425 IFBOAVPJNLUMPI-GPVSGQMNSA-N 477.908 0.998 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2 1799304987 LWVWFWNOAANBPA-SFNKJDCFSA-N 483.562 0.625 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C3)c1 1799800416 QHSMXLDYXHUFCY-DMUMMCEESA-N 458.515 0.913 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800390079 UQWQHXWDWSUKDE-ADHGMGHFSA-N 485.603 0.623 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)OC(C)(C)C 1800861909 STOFDJKYWPMTJX-JTVGABBVSA-N 450.536 0.348 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC 1801201005 OXNSNYGXVCOFEY-JYYAWHABSA-N 454.524 0.401 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2)NC(=O)OC(C)(C)C 1801927974 BUEYZAXONGLOPN-WFNPHZEWSA-N 464.563 0.714 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CCC3)CC2)CC1 1801980949 VXXOWRRSTRGTBR-IUTQVRIDSA-N 485.629 0.993 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1802140819 MXDDXFCOUSLEMG-DJSSIZSOSA-N 492.602 0.956 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1802226543 QEWATEWYGVZMCX-FQBWVUSXSA-N 499.630 0.991 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](N)Cc2cscn2)[C@H]1c1cccnc1 1808197886 CIRDHPYAYRSQNT-LZMYHKKHSA-N 468.583 0.972 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)CC1 1809669204 NUYRLHUXWMRDSU-BCDMQFTOSA-N 483.617 0.723 30 20 JCED C#CC(=O)NC[C@H]1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)[C@@H]1c1cccnc1 1812534915 RCDQKTVZUMFPEU-XMSQKQJNSA-N 469.542 0.800 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670313 GVUCDSOENOVEDJ-NEPJUHHUSA-N 466.516 0.419 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCN2C(=O)OCc1ccccc1 1828930205 BPCLQDNBQOVYCS-DEOSSOPVSA-N 454.527 0.404 30 20 JCED N#CCCC(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990767 ULWFVZAXVVTFLT-YADARESESA-N 484.557 0.335 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(=O)N(C)C)C2)C1 1829343159 SNAFZOZJVQDZEC-ZHRRBRCNSA-N 462.572 0.845 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CC(=O)C1)CCN2C(=O)OCc1ccccc1 1829459593 XZLJFXAYFVKMAF-DEOSSOPVSA-N 467.478 0.506 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)cc1 1829630782 AXTTWRVGGGMIKN-VWLOTQADSA-N 470.570 0.670 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1829773638 OXBARTBAEIXNQV-YRTIDYAOSA-N 458.515 0.164 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(S(C)(=O)=O)c1)CCO2 1830184564 MVSMESZTBHUEAD-HSZRJFAPSA-N 494.566 0.670 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830674467 IZAUZXIBVDTXQV-KDLSMAQYSA-N 454.527 0.865 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCO2 1831110628 KSHDQNRNUMAVDJ-GWJPWWOOSA-N 461.584 0.810 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831665657 JXSOIDCOVAQXKY-IRXDYDNUSA-N 451.520 0.580 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c(C#N)c1 1833314428 GXMWXPADGPNNEK-RUZDIDTESA-N 493.520 0.373 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(OC)cc3F)CCO2)C1 1833631923 IDSLWDWUAWHVCL-VGOFRKELSA-N 451.495 0.872 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834240728 ZDJZBJOBAQHUPO-SBUREZEXSA-N 475.546 0.407 30 20 JCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1834528440 MOUWCDAGBVJHEP-KKRXVXNVSA-N 463.491 0.084 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(-c4ccccc4)c4c3COC4)C2)C1 1834758491 OMGJLDAIEJLTTH-HSZRJFAPSA-N 451.483 0.886 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOC)CCO2)C1 1835228190 ULKOVKYWYADFLD-JTSKRJEESA-N 455.552 0.949 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1835750382 XKNUPQBORNKGMS-UHFFFAOYSA-N 458.603 0.879 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3ccc(O)nn3)CC2)CC1 1835767076 AHLIZTBNUIDTRQ-VQYZLWMVSA-N 460.535 0.896 30 20 JCED Nc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)sc2nccnc12 1835876326 CNOCAPSYEVCXBN-ORMFSKTFSA-N 487.586 0.815 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc4ccccn4n2)CCO3)c(C#N)c1 1836397514 QZPUTTAPAOXTTA-VWLOTQADSA-N 490.520 0.922 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1836473909 PCUWQWKIQKNVEK-HYFFOGBASA-N 486.566 0.129 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837136457 NANHXLOLJSMHGD-XMMPIXPASA-N 483.525 0.173 30 20 JCED C[C@@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443889 SXKKYWJZCHBKJF-JPFMVSBKSA-N 464.592 0.872 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1837662910 JQEXARPKJRQKTQ-JOCHJYFZSA-N 471.620 0.861 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837881508 ZLPUNHFEQXCHML-SBUREZEXSA-N 473.530 0.463 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccncc3)[nH]n1)CCO2 1838009945 XAQLFTRLBMJUAI-PKZHZFTJSA-N 480.525 0.400 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838480704 FIHAJCXUCBTFOA-XMMPIXPASA-N 480.477 0.831 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@]45C(=O)Nc4ccccc45)C3)C2)c1 1838741982 KIRXGWFXZRNPGN-YWWLGCSWSA-N 475.505 0.866 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)no1 1838950962 PZKGDYWVNFYDGJ-HSZRJFAPSA-N 467.482 0.954 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1839175037 LIQRTUYFOVTUHK-QFIPXVFZSA-N 491.932 0.962 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)cn1 1839224748 OFPDGUUWZDTFFU-AOMKIAJQSA-N 462.503 0.739 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)n(C)n1 1839361543 QMJTUIZILZSABL-QHCPKHFHSA-N 453.499 0.879 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)ccc1Br 1839401239 UBSPMGROIODJHA-FQEVSTJZSA-N 489.330 0.682 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839538818 MGPIPUXDGBZPME-QHCPKHFHSA-N 454.531 0.686 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839717788 PUZFIBWTZDWVQG-JOCHJYFZSA-N 478.502 0.196 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(=O)c3ccc(Cl)s3)C2)C1 1839809803 MJFYHJXSLSJYMV-FQEVSTJZSA-N 453.948 1.000 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(Br)c3F)C2)C1 1840039761 HGLXJYPHWGROQB-HXUWFJFHSA-N 483.290 0.675 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3N3CCCCC3)C2)C1 1840043662 NGSCJLYLDSRIJT-DEOSSOPVSA-N 455.511 0.835 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)C2)C1 1840171484 HZJFAZDXWPMTOE-AVRDEDQJSA-N 465.572 0.694 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840364344 XNMLNHYIKFRNJL-GAJHUEQPSA-N 460.531 0.480 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)CCO2)C1 1840790081 RHBAAWLODZPAIK-OPAMFIHVSA-N 498.985 0.852 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840895593 ZRBYUWRDFZLTPC-FQEVSTJZSA-N 471.601 0.286 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840901546 LZYFYVNDBDQDRP-HXASPLJHSA-N 482.537 0.973 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)[C@@H](C)CC)C2)C1 1840907162 PVPAITSRXJGLRY-GSRZOBFVSA-N 481.590 0.766 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840907407 UKEMIZZBPBPYNX-QMHKHESXSA-N 491.545 0.112 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1841604286 JDKYSAUGTXFRDQ-HZPDHXFCSA-N 451.520 0.685 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259932 YMDYPOXSAQYYDC-PTZPRWATSA-N 451.568 0.937 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OCC)C2 1845130773 HUGAHIRPLLPJHB-IRXDYDNUSA-N 480.562 0.951 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCCN(c3cc(NC4CC4)ncn3)C1)C2 1846196291 IDAFZXMXUQHTKJ-MRXNPFEDSA-N 452.515 0.559 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC(F)F)c(OC)c3)c(=O)n2C)CC1 489231657 YEIVQDCWOMOTPL-UHFFFAOYSA-N 478.521 0.724 30 20 JCED Cn1c(=O)c2cc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cnc2n(C)c1=O 603685589 HOWYGWLYTIMMNQ-UHFFFAOYSA-N 483.510 0.042 30 20 JCED CN(CCCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)S(C)(=O)=O 603822747 NSPFFGFCVNLZIU-UHFFFAOYSA-N 451.528 0.979 30 20 JCED N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O 608911790 KYBLAUNHSBPXAJ-UHFFFAOYSA-N 498.467 0.586 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1CCOCC 725763686 SIZRDUSTTQMNMP-UHFFFAOYSA-N 463.563 0.996 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CCS(C)(=O)=O 729671175 JSZNDIZARUHJLD-UHFFFAOYSA-N 485.509 0.778 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)N(C)C(C)(C)C#N)o1 915250140 RIJAAQOGTKYGSF-ZDUSSCGKSA-N 455.489 0.913 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 916692934 JJCVMEBCMCKFID-LVZFUZTISA-N 472.593 0.455 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 917748754 WCVMIPPGPFXAAB-LVZFUZTISA-N 472.570 0.948 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 919227422 QRCOYWOANTXDAX-HNNXBMFYSA-N 483.543 0.890 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)COc1ccc2c(c1)OCO2 920301504 MPPZDRGKUNRMFE-CQSZACIVSA-N 461.496 0.790 30 20 JCED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1150870514 ISECDXIVKSTPIA-OAHLLOKOSA-N 456.528 0.957 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1191978938 ZALOGNJQUZWUSN-INIZCTEOSA-N 457.597 0.561 30 20 JCED CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302316455 SVISHGKPQUBRRA-NVXWUHKLSA-N 484.648 0.570 30 20 JCED Cc1cc(N(CCC#N)C(=O)CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)ccc1Cl 1307686710 QNJMBOOGMBGTIZ-UHFFFAOYSA-N 459.938 0.857 30 20 JCED CO[C@@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CCOC1 1504055634 OTARVESRJWAZGD-YLJYHZDGSA-N 468.580 0.547 30 20 JCED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1519515145 YSVSTZRVOFQLIC-QGZVFWFLSA-N 464.573 0.476 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1611687123 RSSQWAWIDNDNSH-IFXJQAMLSA-N 484.579 0.923 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1617623703 WUSSRZBKSNHKRQ-UHFFFAOYSA-N 466.590 0.749 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1618840747 WUZYYBSOTLHBDB-IBGZPJMESA-N 470.559 0.776 30 20 JCED Cn1cc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(=O)NCC(F)F)cn1 1696853659 YXYTVWWCLGPUCH-UHFFFAOYSA-N 456.461 0.653 30 20 JCED CS(=O)(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1698304071 IGBOZJSBEKFYGT-MRXNPFEDSA-N 458.548 0.257 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1706651990 XIPKVZGXFOIQTN-QHCPKHFHSA-N 453.547 0.615 30 20 JCED CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1727423540 QDBXBSXKBNUWOL-DYESRHJHSA-N 461.544 0.698 30 20 JCED CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCOC1 1729945880 ZOWXRUHCTJSDMB-QHCPKHFHSA-N 453.547 0.832 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1761363059 KKAJMGCCBJDJRZ-OLZOCXBDSA-N 458.495 0.989 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1764994337 VZDYXJNZAGEJDB-HXUWFJFHSA-N 450.547 0.696 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)C1CC1 1778020525 DFMVOIQJZWOBNZ-BVZALQNUSA-N 463.531 0.892 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1778082870 YVCDYLSTJYYUDV-AXHZCLLHSA-N 461.559 0.848 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778088783 WQLNJLVHQCUSSP-YVWKXTFCSA-N 461.650 0.880 30 20 JCED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2 1779268774 CKLBUASWBCJURR-TXTKFYIRSA-N 467.632 0.999 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1)c1ccc(O)cc1 1779317261 HVMZDONUEBVYLQ-HOKHCIIBSA-N 471.554 0.870 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1779422343 DDXFICITYXOCOX-VAUFHKDESA-N 463.491 0.544 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)c1 1781097452 CWJCLMVFYAUCJM-KOSHJBKYSA-N 455.559 0.646 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1781169496 ODMVVKKAESQZNC-OPAMFIHVSA-N 465.551 0.181 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C1 1782114771 QUJJIUWHYFVURH-XCGNWRKASA-N 451.520 0.590 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1783478825 QJUUPVIYIRSJPU-HVTWWXFQSA-N 463.575 0.997 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)C[C@@H]2C1 1783564670 BJMBFFZXUSYEHN-XARZLDAJSA-N 461.515 0.551 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1783680541 YCVIRRYWIPGAIZ-TZIWHRDSSA-N 462.609 0.467 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)CCSC)C2)C1 1783977908 YELXXEGHFGQJDN-JKSBSHDWSA-N 469.604 0.847 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1784041460 JSZDPFLGBRDHHS-MFEFFIJZSA-N 464.563 0.812 30 20 JCED CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C[C@@H]32)CC1 1786725074 DVTZREFSDHTMTO-VABKMULXSA-N 453.587 0.718 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(F)(F)C(=O)O)[C@H]2C1 1787436949 KNDKMNYIXYTUPK-JONQDZQNSA-N 487.500 0.993 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C)nc3C(F)F)[C@H]2C1 1787731756 HZQSJNIQTYUVNL-KIDWBVPLSA-N 451.474 0.809 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)N1CCN(C)CC1 1789799895 NVHNQPSJRGEITA-OQIYLARESA-N 465.595 0.131 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1789810049 OMAQDPTVZZAQEN-HLXURNFRSA-N 496.605 0.995 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792425537 FXKRFDUWJJMBHJ-YHELAOLJSA-N 472.542 0.924 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCN(C)CC2)cc1 1792457882 XSSZQUUULFCZDJ-DXKRWKNPSA-N 454.571 0.680 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(Br)nn3c1)C2 1793342335 DEHFFOABWQNGOK-JJAZEVLHSA-N 476.331 0.733 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1)C2 1793344385 NDNMKAUZIUPNTB-HVRFAWQISA-N 467.538 0.963 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ncn1 1793487204 VVBJVGHDZCUVKA-BASYENTBSA-N 461.519 0.855 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795360626 HUHWARXJGNRPTR-KYHPRHEASA-N 473.592 0.480 30 20 JCED NC(=O)[C@@H](N)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1795635984 OLWMYIDQLFKULI-AANQFLQQSA-N 474.561 0.882 30 20 JCED COc1nccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c1F 1795911094 OZHKTSJWCMRBRI-LXLUIISFSA-N 450.467 0.962 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 1796031055 WGTHZXZUHBIYNF-YVSFHVDLSA-N 460.535 0.705 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cn4cccnc4n3)c2c1 1797390263 TZBGUSUZFJXGBP-CCWDJLKJSA-N 456.466 0.994 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1-c1ccncc1)C2 1797808935 RTJDYWKBTSNVBI-FKMLMQSASA-N 468.514 1.000 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693528 KAESFYZGUCWOFA-CYGHRXIMSA-N 461.519 0.629 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2[nH]nc(C(F)(F)F)c2C1 1800319746 PPSSOOZOHZDJLP-TVRNETQVSA-N 454.449 0.771 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c(C(=O)OCC)ncn2C1 1800326983 XHIAEBSXTAFFLL-GCLMUHHRSA-N 488.585 0.785 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1800745706 KKUVNHZPPUGBKW-WHSYQREFSA-N 495.532 0.713 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]3c3cccnc3)c2c1 1807026116 QMMBFXDXBGOQEL-IIBYNOLFSA-N 497.452 0.874 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810360446 JCSQQJLORSTKNF-LLTBJZBPSA-N 475.546 0.267 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1810389460 ZFHVPPZWESLBKU-GQYHHGBWSA-N 452.471 0.351 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817467261 KFVGOHLHIJVGRX-HNNXBMFYSA-N 468.474 0.956 30 20 JCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1823079456 MVQTUORJNZLRAU-GHMZBOCLSA-N 458.504 0.901 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)=O)CCN2C(=O)OCc1ccccc1 1828790949 XQKSUOKJHSFFIC-JRUKXMRZSA-N 482.537 0.886 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccncc1O)CCN2C(=O)OCc1ccccc1 1829144223 CPFZUKJSZCYJNM-VWLOTQADSA-N 492.488 0.941 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1829263107 IXHPJIQVHDKEEV-WZONZLPQSA-N 456.499 0.134 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1829269100 HBPKGFJCWTWFNW-RUZDIDTESA-N 493.520 0.343 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCO2)C1 1829622064 JSHSVWVSGQQDKZ-QHCPKHFHSA-N 473.530 0.876 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)cc1 1829627232 BEVXMMNAOPUDGY-QHCPKHFHSA-N 456.499 0.399 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1829692529 VJIWZULJQVWWAI-GEYWLOKFSA-N 487.619 0.379 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CSCSC3)C2)C1 1829770515 VDMAXHPBIYGGBQ-ILXQMQRGSA-N 484.644 0.344 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1829864529 KBNKBEPBSRSKCY-AUSIDOKSSA-N 458.515 0.308 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C(=O)c4ccccc4OC)C3)CCO2)C1 1830425401 IFSUPCFIRHMQHU-BCHFMIIMSA-N 499.564 0.262 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1830881613 FQARWBVTMPEZED-IEGUWTFLSA-N 485.578 0.310 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1)CCO2 1830987012 ISDSPORRLBHULA-YDIMBITNSA-N 489.573 0.817 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831424475 KDZPEQWZQSFNEO-PMAPCBKXSA-N 485.578 0.574 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1831999719 ALHLHMFEDBRBJD-WZONZLPQSA-N 477.562 0.878 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnnn4C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1833236694 PMRYCPYAYCZAOT-SBUREZEXSA-N 490.561 0.451 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)ccc1F 1833314752 LFKROZDUPFAVCG-DEOSSOPVSA-N 481.484 0.504 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(I)c(OC)c1)CCO2 1833695673 FXBCFDVJOYYFLQ-GOSISDBHSA-N 485.278 0.398 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5n(n4)CCNC5=O)CCO3)C2)c(Cl)c1 1834563957 NNXBARCLFACBST-HSZRJFAPSA-N 498.927 0.535 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1834715799 KADJWTCFYBRSIN-UHFFFAOYSA-N 474.528 0.518 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767133 MIYQIUWSGUZZHB-AUSIDOKSSA-N 488.545 0.614 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2c(C)noc2N)CCO3)c(C#N)c1 1835628234 FNXNYXWJCJVQSL-HSZRJFAPSA-N 469.498 0.758 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1835682707 RZMNLWYWZYOESM-GBXCKJPGSA-N 458.559 0.328 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)Cn5ccccc5=O)CCO4)C3)c2c1 1835998978 FPRXADNDXYPIHT-DEOSSOPVSA-N 476.493 0.366 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836868341 DKIMQMMPGQSXIS-QFIPXVFZSA-N 455.519 0.081 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cn4cccnc4n2)CCO3)cc1 1836883111 MBVHLDPOFPZKJN-XMMPIXPASA-N 460.494 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1837002283 ZOFUSFWMAQJCEE-HSZRJFAPSA-N 456.499 0.914 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837297070 OJSVVIYBXLYMHX-MQNAVGNWSA-N 474.514 0.978 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837297355 SIWHSFLXKUBVSC-ZEQRLZLVSA-N 487.509 0.687 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1837395009 NQWOLBJRIMTKOM-CVDCTZTESA-N 495.598 0.269 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1837403473 UFDRIDYTFVKFHT-XCUDUSTGSA-N 483.565 0.926 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1837443481 BZFQCVLETJDDBB-JKJLQIMHSA-N 454.531 0.876 30 20 JCED Cc1cc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1837555204 GASVKFQVCRVYLH-QFJWWYIYSA-N 462.503 0.982 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1)c1ccccc1 1837612413 VQKQMOFXFOHBNG-DFIYOIEZSA-N 482.537 0.238 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1838653297 JBSGINOSBWBVFP-SFHVURJKSA-N 456.584 0.073 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC(=O)N(C5CCCC5)C4)C3)C2)c1 1838732767 ZSPUAWBYUSGLPW-UUOWRZLLSA-N 469.542 0.747 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838736265 URBZHGWRFQCWDA-QFIPXVFZSA-N 487.538 0.210 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C)cc(C#N)c4)C3)C2)nn1C 1838835081 IULPWFWBOCCEBB-HSZRJFAPSA-N 453.499 0.993 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1839173371 LXFGEUXGOYJXFM-XXBNENTESA-N 467.563 0.503 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1839174776 WISXOJDGKRLNTG-WMZHIEFXSA-N 460.531 0.437 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)ccc1F 1839185786 LJFOORLXVJVAPL-QHCPKHFHSA-N 476.574 0.745 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)CCO2 1839220708 CRSDCSQAWXGQOO-WXVUKLJWSA-N 494.589 0.391 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839390147 VJJVRFWOIFPQJZ-RXDMZFIASA-N 487.557 0.685 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1839483094 WIUQKRXBHGAIPA-UZQCKINESA-N 498.496 0.400 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043542 FJHNAFZPRDQUJA-MHECFPHRSA-N 491.541 0.228 30 20 JCED CCOc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cnc2c1cnn2C 1840159970 SKPCWZKZOHITFX-LHSJRXKWSA-N 463.560 0.755 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2)NC(=O)OC(C)(C)C 1840165071 VTWSHCNOIAVALU-PDSXEYIOSA-N 489.591 0.218 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1840293838 XXBCAQXWPNFURG-RUZDIDTESA-N 468.554 0.990 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCn2cncn2)CCO3)cc1 1840355243 BQLMEPUHJMIYSD-QHCPKHFHSA-N 452.515 0.629 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2)C1 1840916658 WJSTZBLBCADQOU-GGUMNFRJSA-N 497.589 0.145 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)cc1C#N 1840922477 RKDXFKQFIJQHPD-JOCHJYFZSA-N 459.503 0.084 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1845199284 PEVYTDVITUQMMV-GJZGRUSLSA-N 463.535 0.647 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)c1=O 506283169 YSRXAYWTAWGGEK-UHFFFAOYSA-N 457.443 0.053 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)s2)c1=O 514919849 ZHNBCOBGTCDALK-UHFFFAOYSA-N 467.016 0.986 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(-c3cnn(CC)c3)c2=O)cs1 522380322 QVTDFCLPVPNNIO-UHFFFAOYSA-N 472.596 0.790 30 20 JCED Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1S(=O)(=O)NCC#N 524230462 VQTXSHAKYFZJSC-UHFFFAOYSA-N 491.551 0.170 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2OC(F)F)c1=O 604269116 SOOYWBWNLSHSPA-UHFFFAOYSA-N 476.505 0.725 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(N)=O 608911640 CVUGPVQBBBXYQW-UHFFFAOYSA-N 467.334 0.064 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)ccc1F 609220065 ATKPGSIRJDRQTB-UHFFFAOYSA-N 456.543 0.644 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC(=O)NC(C)(C)C)c1 728144464 AXZHURRDWMRZQG-JLPGSUDCSA-N 451.549 0.859 30 20 JCED CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2c(c1)OCCO2 730720198 HSNJWYITDASRSV-OAHLLOKOSA-N 456.484 0.954 30 20 JCED CCOC(=O)N1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 748308121 SMDJCADUOJEVDQ-UHFFFAOYSA-N 463.560 0.555 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1 769213883 SXFIOAZFQZRNNM-UHFFFAOYSA-N 458.496 0.855 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2cccc(Cl)c2)CC1 839215780 KIFODWQHMPNNKT-UHFFFAOYSA-N 482.997 0.953 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccc(N4CCOCC4)cc3)n(C3CC3)c2=O)cn1 839378424 IRIDWBCNRAJACX-UHFFFAOYSA-N 476.562 0.957 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)c2)CC1 849202834 UOFFFCNXESKCDL-NRFANRHFSA-N 462.528 0.505 30 20 JCED COc1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1S(=O)(=O)N(C)C 915378758 QYWTXVAMYJHSGO-UHFFFAOYSA-N 491.526 0.619 30 20 JCED N#Cc1ccc(N2C[C@@H](C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1Cl 1441426999 SHUICEWWSSTAIK-KBPBESRZSA-N 452.920 0.374 30 20 JCED CNS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1517631868 JZOYRPWXCYKBIY-UHFFFAOYSA-N 497.629 0.967 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1615974011 YFZDYWXDEUAJOV-KLHJMIIUSA-N 460.560 0.875 30 20 JCED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)(F)F)CCO1 1620357524 XYQJESGXLDIFQX-NSHDSACASA-N 457.438 0.677 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 1631739091 VIOAHJTYNSRLMK-HOCLYGCPSA-N 452.533 0.977 30 20 JCED CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)(C)C 1697176365 YDZKRGWYDOKXPT-GBESFXJTSA-N 495.650 0.849 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC(=O)N1C 1726727276 URLBQTJVKODQOR-FUHWJXTLSA-N 487.586 0.820 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1729739789 SKXYIYRIWHFJRH-SFHVURJKSA-N 473.559 0.194 30 20 JCED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1761447520 UMBUVNABBPWNQM-INIZCTEOSA-N 460.560 0.935 30 20 JCED CN1CC[C@](O)(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1767510651 VGLFTROLVIPIBP-DYESRHJHSA-N 459.938 0.657 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)CCO2)C1 1778975567 HAYXQYGQPGHYHS-DFBJGRDBSA-N 494.633 0.942 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1779060752 KDFZOEDZNOUFBR-DEOSSOPVSA-N 451.527 0.960 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1779064332 GEADYRVYVZYZIZ-XMMPIXPASA-N 489.594 0.768 30 20 JCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)N1CCN(C)CC1 1780638330 HAEOACPRHMSODS-SGIRGMQISA-N 474.646 0.835 30 20 JCED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(OC)cc2C#N)C1)C(=O)O 1780687047 VPYVLPQZBFOCNG-DCLXLUIPSA-N 472.542 0.686 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)C(C)C 1781386813 LRGNWSDHYPTDKW-LLJLJFOGSA-N 491.589 0.738 30 20 JCED CN(C)C(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783131787 BPYWUHBDXRNORN-AUSIDOKSSA-N 457.531 0.722 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(NC(=O)OC(C)(C)C)cn1 1783558238 VDHRXLHAKAMUQP-QHCPKHFHSA-N 488.497 0.969 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)[C@H]2C1 1783844136 IKPVEHBXSAVBPI-YRPBKPAGSA-N 498.580 0.004 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783917794 WXICCWQATOGLOO-XGAJZPNHSA-N 492.580 0.941 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3ccc(C(N)=O)cc3)NC(=O)OC(C)(C)C)[C@H]2C1 1784291925 FRNWJNPBMPMQEW-BURNTYAHSA-N 498.580 0.834 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)C[C@@H]21 1784486777 OPCLIWFIXJSHQS-QFCHGCLKSA-N 473.545 0.891 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1785577656 PJTPCESUAUIJAW-XOBRGWDASA-N 491.463 0.838 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1788661450 SJKWALRZACEWTB-PNSANMRCSA-N 452.537 0.406 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 1789890068 BNGOFIGCKGYONX-IEZWGBDMSA-N 479.555 0.588 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3CCN(C)CC3)C[C@@H]21 1789892328 QNBHELRSAWSLQD-MUGJNUQGSA-N 450.580 0.111 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789907766 UXYGUWSMPGKAHU-JUXWZEJHSA-N 461.490 0.835 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(S(C)(=O)=O)ccc3F)[C@H]2C1 1790310559 FPTJWIGKOFRCBL-QIJLZVCCSA-N 466.531 0.861 30 20 JCED O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1792238430 ADMCWZGRZQVUPE-BZSNNMDCSA-N 457.577 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 1793600328 XHHSOUMUUDJMCH-HMGYHMDHSA-N 494.589 0.363 30 20 JCED CC(C)n1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cc1C(=O)O 1794435321 OCWXXNSFNPYLNM-PDJFEZEYSA-N 477.518 0.894 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(C)(=O)=O)cc1 1795415857 DVIXMGZCLWWUIZ-NZGUISNBSA-N 464.584 0.795 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1795893607 FRSSHJJHOGDHLF-COZGXFGHSA-N 471.620 0.901 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCNC(=O)C2)C3)c(C(F)(F)F)n1 1795996923 BDGAPCPUCYRXJB-KOFHJDLBSA-N 465.432 0.701 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1)NC(=O)OC(C)(C)C 1796358932 VGTKJUWUZFCDIK-YGTYGHESSA-N 491.545 0.951 30 20 JCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(I)ccnc1F 1796510006 KLEVWCGTAHSXQB-WDAIWFPHSA-N 458.231 0.942 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797658286 WHPNHBOGQSESFD-KFHOSZCASA-N 475.509 0.681 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1-c1ccncc1)C2 1797738850 BITXKHHRDCIICO-PMEUBLMBSA-N 451.531 0.942 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744381 IHMYLCAGHUEWRU-MESABJQISA-N 481.594 0.323 30 20 JCED O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798496537 BTEGBDXOIHLYJM-FGAUOQBDSA-N 461.475 0.924 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798594530 ATFKROLWDBIMHK-SCNOPHJPSA-N 457.487 0.473 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1800351483 GTEXVJHTUBHUAT-SFNKJDCFSA-N 493.605 0.887 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N(C)C(C)=O)C2 1802128119 YGYVUAIJXATLGL-NLNMYJFZSA-N 464.563 0.359 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1802256648 SRXQMBWYPJQIBS-PDOICOKGSA-N 463.531 0.701 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)[C@H]2SC(=N)NC2=O)[C@@H]1c1cccnc1 1803548170 YOQVQWRFBOLFGE-AGTSVGGPSA-N 457.556 0.928 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807623573 KUJDYYDXKGVCJP-CMKODMSKSA-N 482.545 0.691 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCN(C(C)=O)CC1)CC2 1819714631 OBXMFDKJFIFXTO-CRAIPNDOSA-N 463.604 0.792 30 20 JCED Cn1ccc(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1829008501 OSFRIKYNHNPEBV-RUZDIDTESA-N 493.520 0.503 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCN2C(=O)OCc1ccccc1 1829138017 OTCFICPSAOLTPM-HYBUGGRVSA-N 470.526 0.223 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829928056 NYMXQPSPYCECCR-XLNZFTOWSA-N 479.574 0.929 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)C1 1830716194 XUSVRMFBXYXVTL-UMEGOILYSA-N 476.570 0.731 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)CCO2 1830836078 KBJWOKIWOPVFTM-SANMLTNESA-N 479.533 0.471 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1831208949 BZXBLPODFAHRKB-CYFREDJKSA-N 471.579 0.966 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C2)C1 1831391017 DJYHVCQIIQVSSE-AUSIDOKSSA-N 478.567 0.263 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2)c1ccc(O)cc1 1831615553 JTPDXRCFCKKJMO-AOUJKTHWSA-N 471.554 0.857 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3Cc4ccccc4CN3C)CCO2)C1 1832462967 HKWXHSXWKNUVLI-WPWBMXPQSA-N 455.555 0.538 30 20 JCED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(=O)OC(C)(C)C 1835210004 CVEOHOISHQBUFK-QHCPKHFHSA-N 481.594 0.592 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835667667 MBLHIIGOLDMTQH-GAJHUEQPSA-N 481.594 0.638 30 20 JCED C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681244 QURGWLDMPWCTDH-JPYJTQIMSA-N 459.547 0.587 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1C)OCCO3)CCO2 1836461049 SSQKXLWVKLWARH-KBDOHKNDSA-N 485.537 0.695 30 20 JCED CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CC1 1836675661 DBLQQQXTASNVEU-QHCPKHFHSA-N 459.522 0.015 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)CCO2)C1 1836684706 IQIFXWBMFVPYDG-BWKNWUBXSA-N 470.570 0.894 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836810335 STSMHAXIWYOFEJ-JOCHJYFZSA-N 455.519 0.310 30 20 JCED O=C1CN(CC(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)C(=O)N1 1837076958 LZYMPRODYDDMNB-DUYDGHCJSA-N 479.534 0.066 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447392 MPMDEUVHYBWQIK-HQGJICSSSA-N 459.547 0.777 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447394 MPMDEUVHYBWQIK-OKEGVBJISA-N 459.547 0.777 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)(C1)C2 1837531160 YAEBMRFVARSUJP-DCAQBPTFSA-N 479.530 0.315 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837532917 ICLOWXUKZCIITL-MHPMKTAKSA-N 476.530 0.834 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CSCSC1)CCO2 1837567731 VIIHNCHOEJHIBS-SVYHKQQMSA-N 484.644 0.344 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C1 1837661354 HGAHDZUEZQCDKX-UTKZUKDTSA-N 459.609 0.763 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1838323387 JYBSMOZXEDTUME-QHCPKHFHSA-N 483.912 0.351 30 20 JCED COCCOCCOCCOCC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)S)CC2)CC1 1838778827 YPCNFRNMYYOSOW-SFHVURJKSA-N 476.636 1.000 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)CCO2 1839085510 IWHOLTAYUWAQTG-FRMGNDQPSA-N 485.603 0.540 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C(C)C)C2)C1 1839175950 MYBSAQCPVFDLOM-CVDCTZTESA-N 451.564 0.825 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1839223967 CVCYGUMEILRBBF-MWTRTKDXSA-N 473.530 0.837 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccccc2C(N)=O)CCO3)cc1 1839349239 LGKIFPXGKWAYKO-VWLOTQADSA-N 462.506 0.970 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)c3n[nH]cc3c1)CCO2 1839509723 ZZOULGIZSAQTCZ-WRAFWBCBSA-N 467.526 0.800 30 20 JCED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839715986 IKEFCFXIMJYYEZ-QHCPKHFHSA-N 463.498 0.710 30 20 JCED C[C@H](N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C1CC1)c1ccccc1 1839751599 GSSYWMUGDRHZGM-WYRQLCSISA-N 469.538 0.660 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1839810849 VMQPWFWPBFOTCE-UVELEOGVSA-N 463.531 0.100 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1839887466 DEWBPQDOXUVYKK-LXIYXOSZSA-N 460.503 0.457 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCc1cccnc1)CCO2 1840510176 OTCSDEJUHVCDTF-XXXZYALBSA-N 456.543 0.719 30 20 JCED Cc1nnsc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819675 ZEVYCHFEJIBUTM-NRFANRHFSA-N 457.512 0.867 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnc3)C2)C1 1840906452 BZBFKZRBWNAWBB-AXHZCLLHSA-N 489.573 0.817 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1847081025 CVJQKSLHTSCNAC-ALLJEULLSA-N 461.519 0.257 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1c(C)cccc1C 502003118 NFUOACCUTVJWIL-UHFFFAOYSA-N 451.552 0.905 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 514645336 JMWVLLLBMMNUJM-UHFFFAOYSA-N 472.523 0.606 30 20 JCED C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2NC1=O 517109672 FACFDKLJTNNBBL-AWEZNQCLSA-N 483.506 0.749 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1F 522538233 XVIIZFGEFJQHTF-UHFFFAOYSA-N 478.505 0.927 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 557577167 RYZLOJAFWLEQCE-UHFFFAOYSA-N 468.582 0.868 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC 604434424 BPBKTNGIHYOTSD-UHFFFAOYSA-N 488.522 0.655 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O 608911572 JYFSIGPDQVXULD-UHFFFAOYSA-N 461.341 0.283 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 609335586 QVLAPUWKNSEBCY-UHFFFAOYSA-N 454.578 0.634 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(S(=O)(=O)N(C)C)c1 614917320 SEBJFSFYAZJHJZ-UHFFFAOYSA-N 485.591 0.611 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 728536099 JLVKYTUBKBQHIE-VCHYOVAHSA-N 458.584 0.593 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 729322180 BZQBQJGUFDNHIS-OCLJWFPGSA-N 477.587 0.619 30 20 JCED O=C(Cn1cnc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1)NCc1ccccc1 751194350 OWZHZEYJIOWETK-UHFFFAOYSA-N 453.484 0.272 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)cc2Cl)c1=O 797641490 ZMJARPZTDVYKAH-UHFFFAOYSA-N 463.943 0.580 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(Cc2ccccc2)CC1 807632472 SZRSOPVGSNSIBE-UHFFFAOYSA-N 456.524 0.724 30 20 JCED CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 913300568 OFWBVIZSXDUCDO-CQSZACIVSA-N 452.489 0.069 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 916711775 QTTHSQLBMVDIET-LVZFUZTISA-N 457.578 0.999 30 20 JCED CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918261155 PLWOKXYUZUFDTN-MQPOEVEDSA-N 478.619 0.580 30 20 JCED C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)c1ccccc1 1301009762 OPNKIDIDBZYNIQ-GOSISDBHSA-N 460.560 0.651 30 20 JCED COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)OC 1301030154 KSUHGPABJJKBRI-GOSISDBHSA-N 464.548 0.472 30 20 JCED CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCN1CCOC 1306405929 IHINMJMMUSFGSP-NFBKMPQASA-N 488.614 0.913 30 20 JCED N#C[C@H]1CN(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CCO1 1309077107 QCTPBZXKVZBNCU-INIZCTEOSA-N 452.924 0.977 30 20 JCED N#C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CCO1 1474852234 STESKYQUOWSYQY-AWEZNQCLSA-N 458.338 0.964 30 20 JCED CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1517469373 NFLHCWHHCSPCHM-MRXNPFEDSA-N 475.575 0.583 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1611684302 JMMSIHDDNQXHMT-CQSZACIVSA-N 458.610 0.986 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CCN1S(C)(=O)=O 1613027112 VTSYMAMROSOKRI-CKJXQJPGSA-N 460.560 0.827 30 20 JCED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c(F)c1 1661393073 UGFCJPVMKBUSAP-UHFFFAOYSA-N 453.521 0.523 30 20 JCED CCc1noc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709171914 PQKSRPXOBYAUTM-BBRMVZONSA-N 462.580 0.972 30 20 JCED CC(C)(C)OC(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750506875 CXOXEWQXAFWDQJ-WBVHZDCISA-N 479.607 0.881 30 20 JCED CS(=O)(=O)CCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1771354653 SRXUYKJCGAFYEC-NRFANRHFSA-N 487.630 0.806 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778054976 DQQFBMGZXUWCJS-WNSKOXEYSA-N 481.513 0.815 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)CC1 1778114873 JCIVJMSFRKUTOZ-JOCHJYFZSA-N 460.556 0.673 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1778920854 GCPRWDBAYPBVRQ-DGGJZMOXSA-N 498.577 0.393 30 20 JCED CN1N=C(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@H]3CCCCO3)C2)CCC1=O 1779420484 SRMKTELYCLZJRO-AHLCNKESSA-N 463.535 0.638 30 20 JCED COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nc1Br 1779923055 NHEKYIRBQLUROK-GOSISDBHSA-N 452.261 0.384 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1 1780087802 YHDXLVRUGONTRY-WZONZLPQSA-N 492.496 0.134 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781055316 UESMIHQMHJWQKO-XFWOXZIFSA-N 462.547 0.746 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c(C#N)c1 1781174215 JEIBGVKNKQSUEN-HSZRJFAPSA-N 452.467 0.652 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCN(C)C3)C1 1781429438 ZZXWEZSGPGBCOS-MEKIYTOJSA-N 457.575 0.884 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782010447 OTOWETAGFWJBNY-NDBKNAECSA-N 493.557 0.206 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](S)C(C)C)C2 1782467278 FRUVJZLGEVUJMU-NXWNEQKCSA-N 465.620 0.925 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873428 VLQJSSXUIIAGIF-MDOVXXIYSA-N 486.541 0.208 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)nc5cccnn45)C[C@@H]32)cc1 1783605058 DPSRSHIKYDACCU-ZJOUEHCJSA-N 472.505 0.797 30 20 JCED CC(C)N(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)C(=O)OC(C)(C)C 1783642792 FOSOSRCBBVXOSW-ULQDDVLXSA-N 451.520 0.700 30 20 JCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784534822 QKEGXZUSNZOTBL-VFOQYASISA-N 464.588 0.927 30 20 JCED Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)c(=O)nc1O 1785352632 BVRKLVQORRAGQQ-HSZRJFAPSA-N 451.483 0.467 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1785577350 NRYISABYIWZRPU-DGGJZMOXSA-N 479.578 0.441 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1785596081 CVMYSQPUGVBKJR-VYXDICFBSA-N 450.536 0.420 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1 1786901415 XBAJPBMUEGFFEN-GMOHSKTFSA-N 494.589 0.498 30 20 JCED CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791079555 RNWJVGYDRBGASE-NUTKFTJISA-N 468.915 0.425 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1792148809 ZHYULZDGCQAHKI-BQFCYCMXSA-N 456.528 0.827 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795441030 AQPHJJZHWNYLOK-XAPVIXHLSA-N 492.617 0.605 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N 1795507432 JIBQDNWFCQEBLP-ORWHDGNHSA-N 467.592 0.672 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1ON=C(c2ccccc2)O1 1797640100 PUJDWCCOHVKSFF-RJCXDBGRSA-N 454.483 0.169 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797781389 ZSYMDAXGJPVJIX-JTJHWIPRSA-N 493.601 0.550 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798494995 NXBJWXVUOBHTRY-XUHUHABMSA-N 456.565 0.579 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1799395488 RTJHWSBUEXXCJL-OGJJZOIMSA-N 470.567 0.653 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778843 SIHATTILWQPCLP-VQQMMKBISA-N 469.494 0.535 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1801967136 OBUNMSAZCZPYJT-XLMAVXFVSA-N 456.609 0.447 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCN2CCOC2=O)[C@H]1c1cccnc1 1802480313 CAZHYJXESPQUSD-WTVRISBWSA-N 455.515 0.788 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)[C@@H]1c1cccnc1 1803548178 YOQVQWRFBOLFGE-YGTYDBBMSA-N 457.556 0.928 30 20 JCED Cc1nn2cc(CC(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)nc2s1 1803968116 RMDRHVGAOFISHE-MGPUTAFESA-N 452.496 0.831 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1811500744 OQYQLHJIZDVNBJ-UIXUWTQFSA-N 460.531 0.969 30 20 JCED COc1cc(N2CCC(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)CC2)ncn1 1812872854 IBTPHTAYWFOJCD-NTKDMRAZSA-N 492.536 0.891 30 20 JCED COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2 1820185161 DLNBCMKIVFTPRY-UKRRQHHQSA-N 450.565 0.488 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC3CC3)[nH]n2)N1 1821781165 ZOLBTTKDTATEQZ-RYQLBKOJSA-N 484.582 0.995 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1822922357 LNMVCSCPLYIHCN-GFCCVEGCSA-N 472.527 0.818 30 20 JCED C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828924867 HMDABZNQQVGGLA-FDDCHVKYSA-N 455.515 0.877 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1829266566 ACYDMUMSFSGFPG-QHCPKHFHSA-N 465.514 0.405 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)COc3cccnn3)C2)C1 1829267266 NPFOMKFVKYZRQL-DEOSSOPVSA-N 463.494 0.941 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cc3cncnc3)C2)C1 1829330553 JVPNYDFHLQXIKX-RUZDIDTESA-N 491.504 0.559 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1829769206 NTTITAAOSPEJFB-WRAFWBCBSA-N 468.510 0.495 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1829769236 OHHXBVAWVQMYRL-UZQCKINESA-N 474.514 0.027 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1829771874 YOGHKTRTLGOFRQ-LJBSOROUSA-N 479.917 0.680 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccccc1 1830407724 MWVGSGQTJPGDSF-ZJSXRUAMSA-N 455.511 0.954 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c1 1830458256 NBVZKMRINREHBD-VWLOTQADSA-N 480.521 0.262 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2)C1 1831088571 JSWKXMZMYLJMJN-IXFSTUDKSA-N 453.580 0.567 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1831396976 MZHYRWVGBXXHHW-QFWMQHCXSA-N 495.573 0.165 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1831427988 WRVTZQASJZAKPP-MBSDFSHPSA-N 455.515 0.928 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831695109 YAGJVXUYJSFDFU-DEOSSOPVSA-N 474.533 0.859 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1831997993 BFSIHWMYMBBSLQ-JXQFQVJHSA-N 496.605 0.827 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832285643 ITKQOSGGVSOUEN-YADARESESA-N 496.605 0.781 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833400503 XRFIPPHTKHMRKV-HRAATJIYSA-N 482.559 0.356 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)nc3)CCO2)C1 1833818186 JAAMYDUECJUMIF-CYFREDJKSA-N 487.557 0.772 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3c(F)c(C)nn3C)CC2)CC1 1834027634 PDBUOTMEQRQPNF-WAYWQWQTSA-N 460.554 0.911 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835364617 BBTZHMWEBCMTIE-NZQKXSOJSA-N 460.506 0.633 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675044 IYRRRXCDUFLVEX-JOCHJYFZSA-N 452.552 0.456 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835681054 OAHZECUXEMZHLZ-DEOSSOPVSA-N 469.542 0.675 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1837172876 LMWCWGLAXVKURV-XXGSHBOYSA-N 453.499 0.491 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1837397895 XJZBTCOVTDVPNN-UUOWRZLLSA-N 472.542 0.609 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1837405164 JCHHWXVZQLIKMP-AUSIDOKSSA-N 450.507 0.961 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1837490455 FNFRWMICNKNIHY-HSGJQSDISA-N 459.587 0.482 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1837493433 FHNBUJABNSPKDU-GJZUVCINSA-N 470.566 0.745 30 20 JCED C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837740922 AWZSLIXUQGJOMU-JPYJTQIMSA-N 458.563 0.620 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)c(C#N)c1 1838069667 CNMBPRDAJKENEU-QFIPXVFZSA-N 455.471 0.308 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c1Cl 1838595029 DCJIFDSGYUMLCL-JOCHJYFZSA-N 472.885 0.994 30 20 JCED Cc1c(Br)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)nn1C 1838770579 NZKDSSVDYQMRMN-YVEFUNNKSA-N 461.382 0.879 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839106818 COIGBNRDFIHIDV-QPPBQGQZSA-N 460.619 0.991 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCC)NC(C)=O)C2)C1 1839175846 IFQPPZDEKZIAJY-AVRDEDQJSA-N 453.536 0.257 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839212621 HXULGWWPFQAJOQ-LLJLJFOGSA-N 494.589 0.533 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc3cccn3C1)CCO2 1839738763 GLPUACGKUKESOA-KBMIEXCESA-N 486.569 0.945 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCN(C(=O)OC(C)(C)C)C4)C2)C1 1839810475 YYCGVWYKYLPFNL-DEOSSOPVSA-N 487.557 0.417 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1839888650 ZAXFGWLWGNRNKP-SZNDQCEHSA-N 482.484 0.661 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1)c1ccc(O)cc1 1840221297 KJLFTWKUAPSHQI-RQBNJVACSA-N 471.554 0.857 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842880903 CZXGYJQXIIXJKO-DLBZAZTESA-N 463.579 0.479 30 20 JCED N#Cc1ccc(CN2CCN(CC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2)cc1 23257938 DZJRWJPIAAFDKQ-FCHUYYIVSA-N 460.600 0.871 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)sc(=Cc2ccnn2C)c1=O 502014946 LFUZAJPSACFIMI-UHFFFAOYSA-N 460.563 0.681 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 514336288 WKNOOYUGODDCSB-UHFFFAOYSA-N 491.614 0.444 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CCN(C)CC1 517984210 UWQNPUFWHKMWPH-UHFFFAOYSA-N 488.635 0.608 30 20 JCED CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 518069884 LPHYPHFIMPKTOD-UHFFFAOYSA-N 490.563 0.823 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 523476781 LIULDSKZKDGZKM-UHFFFAOYSA-N 457.552 0.625 30 20 JCED N#Cc1ccc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 577303451 NWWAQRPNPBUBBE-UHFFFAOYSA-N 459.553 0.715 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C1CC1 590999157 PBCGURGXCCXOAI-UHFFFAOYSA-N 475.574 0.744 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604169221 UMOJYEULTDJANR-UHFFFAOYSA-N 464.482 0.072 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2cccs2)CC1 748181357 QYZUTRKVURGXTQ-UHFFFAOYSA-N 476.536 0.426 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OCCO2 839369201 IHQKAIIVILKHGZ-UHFFFAOYSA-N 481.534 0.059 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2cn(CCO)c(=O)nc2O)no1 904854568 JQEMRGALGAUGCL-CQSZACIVSA-N 474.499 0.817 30 20 JCED N#CCSc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914654405 UCCJJVPJSBXCOM-KGLIPLIRSA-N 451.526 0.820 30 20 JCED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918446253 RQCNDCXFWRRVDF-SKSQCXPCSA-N 451.549 0.859 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)ccc1F 918610392 ZIXTYJKWMSHITD-UHFFFAOYSA-N 474.514 0.792 30 20 JCED CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1286912898 QXBVBWDSTRQEMP-GOSISDBHSA-N 475.575 0.725 30 20 JCED C=C(Br)Cn1c(N(C)CCNS(C)(=O)=O)nnc1[C@]1(OCC)CCOC1 1300861830 NMBBFSDDJYFQRZ-HNNXBMFYSA-N 452.375 0.824 30 20 JCED CC(C)N(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1303297886 UYPXNUZYPZYXTL-MSOLQXFVSA-N 469.612 0.459 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1499302743 WXUQQTIOSWRDTK-QZTJIDSGSA-N 457.560 0.956 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1517617229 XNDTXFPKIGIKRG-UHFFFAOYSA-N 495.588 0.354 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N(C)C 1696676493 ODNBBIZVZQSIQA-KRWDZBQOSA-N 466.589 0.580 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1698494130 SAVDYKTYRQWHSH-SJLPKXTDSA-N 476.534 0.407 30 20 JCED CC1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1752262290 VXKWYVMAXQOJCW-RBUKOAKNSA-N 481.623 0.462 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1765633248 JRGBMZWRQLZVQO-QHCPKHFHSA-N 453.547 0.880 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1771360509 KJMSYEABASSBEQ-UHFFFAOYSA-N 453.475 0.280 30 20 JCED Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn2[nH]cnc(=O)c12 1780019287 GECWKGNNTQYKGW-PYHHZILASA-N 472.502 0.304 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1)[C@@H]1SC(=N)NC1=O 1780179637 GWKPSUBQCBLFEH-CCDOGKGBSA-N 458.544 0.816 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C1)C2 1780335688 DKXXXZLHHMELJK-XDHUDOTRSA-N 480.525 0.966 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c(C#N)c1 1781175819 BPTPVLSAGAGPCX-UGKGYDQZSA-N 461.540 0.516 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1781294714 IECPADOTRSOITA-BXKMTCNYSA-N 490.557 0.601 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1783181151 HMSKXTFDSKTKCQ-PGKMIFDNSA-N 486.635 0.943 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1785571524 DUGYQVDAGSVYBI-WZONZLPQSA-N 464.563 0.601 30 20 JCED O=C(O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)ncn1 1785643705 SHVBNJCXYHGJBO-BXWFABGCSA-N 456.499 0.467 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787493664 ASSCCMFPNFLTLV-KQAZBYDNSA-N 461.544 0.481 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C(=O)OC)s3)[C@H]2C1 1789691176 VNPQZNLBJIXPIJ-DOCOLBGOSA-N 475.567 0.915 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790750794 NAKMURDDMITJDR-QGZVKYPTSA-N 461.540 0.494 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)Cc4nnn(CC)c43)C[C@@H]21 1790788934 TWUQAEHCQFWMTG-BMFAXAFESA-N 486.573 0.745 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1791103426 XTWIQACASVWIPG-NXOAAHMSSA-N 480.562 0.972 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C[C@@H]21 1792258443 DRGUNRBDCQQONZ-KANFNMMFSA-N 459.547 0.849 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(C(=O)OC)cc3)[C@H]2C1 1792340757 NLLMUFRGOSFCGJ-GIUOSPMZSA-N 458.511 0.870 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csc(-n2ncc3ccccc32)n1 1794436472 XCLFFWIHKTVOMT-YVWYUNDQSA-N 465.491 0.773 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 1796031056 WGTHZXZUHBIYNF-YYIAUSFCSA-N 460.535 0.705 30 20 JCED C[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CN(C(=O)OCc2ccccc2)C1 1797240271 MKJONNMDTVVYQJ-ZUTPNKNVSA-N 497.548 0.959 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1797709498 KFKOMQZCSOVQBM-NHWFWODHSA-N 481.590 0.521 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)OC(=O)NC(C)C)C2 1799304445 RRUNCOKPOBPARH-ALXJQNPVSA-N 453.536 0.999 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1800787411 ROEJSRNCPHJKQR-JUKXBMAYSA-N 476.574 0.885 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1800806779 YHPQWRNNRINCRJ-ZOBZQBTRSA-N 490.557 0.658 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C2 1802124756 IVICBEQUSXHDMM-MTHXSQLBSA-N 464.563 0.407 30 20 JCED C=CCCc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c(O)n1 1805143239 UGRKZLBSOMUURJ-YKSBVNFPSA-N 497.596 0.907 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807950597 VALNTKKHUZCURC-SIIHOXLZSA-N 467.490 0.328 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808273965 PIRJITWXQOANGE-CADBVGFASA-N 458.563 0.290 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817270783 OIHVQLLUSDDABM-KGLIPLIRSA-N 454.574 0.519 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2CCc3nc(NC(=O)CS(=O)(=O)N4CCCC4)sc3C2)c1 1817272609 HIQVFOZKAVHUGD-CYBMUJFWSA-N 462.557 0.994 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1822229094 WJTYQRKSTXOEMO-BMFZPTHFSA-N 475.502 0.860 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CNCP(=O)(O)O)CC3)c(C#N)c1 1822807703 KSHSKYXKPJLRMX-CQSZACIVSA-N 493.482 0.903 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827402367 VVKJLSSZDJIGPS-MQKWGWFZSA-N 486.533 0.575 30 20 JCED N#CC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC3)CCC1 1828007614 FIPCRWQAZZFBIR-ZDUSSCGKSA-N 451.574 0.479 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1828804330 MPRPSAHWNVDEIO-HTAPYJJXSA-N 455.471 0.461 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)COCCO)C3)C2)CC1 1828920967 GHKVGAYCCPIRKU-XMMPIXPASA-N 470.526 0.751 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332743 XHBXARLUOQFGSN-AVRWGWEMSA-N 496.520 0.217 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632149 RUDPWLDJUTWQFR-REWPJTCUSA-N 474.514 0.012 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C(F)F)c3)C2)C1 1829763834 DKBTXRGWZHOZKB-LJBSOROUSA-N 464.469 0.948 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4sccn4c3)C2)C1 1829766068 JJZGCXVGRTUTBF-LJBSOROUSA-N 458.540 0.929 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1829903544 XQGJHSYUZAMZJE-VUDCNRLCSA-N 452.555 0.897 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)cc1 1830216235 APUXNULZUYKSFU-NYDSKATKSA-N 463.531 0.986 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(Br)n3)C2)C1 1831396051 HMVBQFCQRPCJKN-VFNWGFHPSA-N 496.358 0.961 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831443235 QWQMGJLQNXELQO-KTBYTZPXSA-N 482.580 0.850 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)CC1 1831664622 FGEOBLAZLDAMAI-CRAIPNDOSA-N 456.499 0.700 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832879044 NDDPLZLPDXYMOU-FDDCHVKYSA-N 462.547 0.164 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)CCO2 1833223413 USWGEPDCPKZDMU-VWLOTQADSA-N 495.488 0.112 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C2)C1 1834768569 DHXCYYQWVZEJFA-HXUWFJFHSA-N 484.962 0.378 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)n1 1835100248 IUQCXZGRFYEZFM-SANMLTNESA-N 478.549 0.795 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835681446 WZFOGHTXBJUVSR-DEOSSOPVSA-N 471.558 0.997 30 20 JCED O=C1CC(C(=O)NC2CCN(C3CCN(C(=O)/C=C/C(=O)c4cccs4)CC3)CC2)=NN1 1835701762 LZWBRLWKQIJILY-ONEGZZNKSA-N 457.556 0.935 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1 1836859346 FKKJVPONFHEIOO-PXNSSMCTSA-N 481.590 0.909 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C1 1837302615 BJQUJTHWGFACLT-DBXWQHBBSA-N 457.593 0.539 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1837395382 YQVRCVYIAUDMOI-VGOFRKELSA-N 451.495 0.872 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1837443947 NJZXDHIWBVMRHQ-DGPKFNOPSA-N 450.927 0.672 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1837492729 QECUASCMQCVJAO-XMMPIXPASA-N 472.542 0.434 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1837525377 VLUJCHOYLUFERO-FLFXYHILSA-N 460.531 1.000 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1837732158 RQIKUTQICNFQPO-REWPJTCUSA-N 481.666 0.645 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn2[nH]cnc(=O)c12 1838471285 PGTSCUASMKJDRD-RUZDIDTESA-N 497.552 0.100 30 20 JCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC2)CC1 1838744420 NJHYCDYNDUFZPQ-IBGZPJMESA-N 499.630 0.946 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839130646 KUNRQKUKMHXXGJ-KOSHJBKYSA-N 494.589 0.228 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nccnc4C)C3)C2)c(C#N)c1 1839132968 VEGGHNZNTJIKDW-XMMPIXPASA-N 465.510 0.978 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1839175119 PWYJGMVRVXWHHC-QFIPXVFZSA-N 490.538 0.335 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839209706 LCNPZOAKDYGOMT-OPAMFIHVSA-N 468.551 0.268 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)[C@@H](C)ON=C(C)C)CCO4)C3)(C1)C2 1839227368 DGRNWOHWECXIEY-QXFGJNNOSA-N 451.520 0.587 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839988450 QIIIKIXMVPGBNU-QFIPXVFZSA-N 469.535 0.477 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CCO2)C1 1840045837 DFVSRGOTLQRANB-IMWIBFENSA-N 479.574 0.881 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1840055342 PNUPEDNDOUFNDA-ZHRRBRCNSA-N 469.535 0.475 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1840164914 JPFPGICXZGHMKL-PDSXEYIOSA-N 475.608 0.425 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840453129 DMUZEUSWOYQOOZ-VTGGFKIQSA-N 476.530 0.834 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1840818185 PKZQXAZEQPUSIT-FYYLOGMGSA-N 455.467 0.720 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1840912409 GAUGBOAVUPSJFL-ZGNKEGEESA-N 490.561 0.653 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NS(=O)(=O)CC 1847788559 FZBWAYHWBBCXSG-NCOADZHNSA-N 470.592 0.433 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](COC)NC(C)=O 1847939434 FAWOEOCUGRGMSG-MHORFTMASA-N 452.552 0.809 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848129478 MSLXQVQZACHFEW-XWSJACJDSA-N 483.525 0.657 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480216197 RISGXQSAHWXXNJ-UHFFFAOYSA-N 455.536 0.699 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 498332845 BGXYDDDARWNZAA-UHFFFAOYSA-N 486.510 0.799 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 514336344 YZDVJACHKZHOJP-KBPBESRZSA-N 469.951 0.648 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CCN(C)CC1 516371950 DPQZBWINLAMEMP-UHFFFAOYSA-N 471.539 0.350 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)s1 524282792 LCULTMJTSLWGCM-UHFFFAOYSA-N 453.501 0.880 30 20 JCED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 610924663 XUSXPRDKNQVMBD-HDICACEKSA-N 461.588 0.485 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@H](C)CN2CCCC2=O)C1=O 726403031 IRTGIUFASTVDHK-CJKQJNEHSA-N 481.600 0.281 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCCN1CCN(c2ncccn2)CC1 729377131 AGFUYMXWDRCLLW-UHFFFAOYSA-N 471.587 0.624 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)c1 731130235 JEFBNBGOVLLWTH-UQQQWYQISA-N 492.558 0.276 30 20 JCED CCOC1CC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)C1 1314260839 HOKUESFFRMEKIB-BATSVXPKSA-N 482.607 0.671 30 20 JCED Cn1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)n1 1314906906 VXGYGESLHIAKRE-YLJYHZDGSA-N 462.580 0.717 30 20 JCED Cn1ncc2c(N3CCN(C(=O)COC(=O)[C@H]4CC(=O)N(c5ccc(C#N)cc5)C4)CC3)ncnc21 1327352904 GSNFKWMEHNPKRR-KRWDZBQOSA-N 488.508 0.480 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1Cl 1441427058 SHUICEWWSSTAIK-ZIAGYGMSSA-N 452.920 0.374 30 20 JCED CC[C@H](C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1496165215 OGBVFRBMEROJFW-SXLOBPIMSA-N 494.666 0.518 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1510293573 SHZVOKSZEINGLR-TXPKVOOTSA-N 470.621 0.592 30 20 JCED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)c(=O)n1C 1510892151 NRGCRGLZKSUVOC-IBGZPJMESA-N 489.602 0.797 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1555205111 VILNGZBQICNAJD-LJQANCHMSA-N 483.573 0.744 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1555816328 HIVCKMCXSARZBY-HXUWFJFHSA-N 490.586 0.910 30 20 JCED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)s1 1612080826 WFEBMETZXQLDTI-GDBMZVCRSA-N 452.562 0.758 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1619952176 NDBFNOKMSISHGM-IBGZPJMESA-N 474.587 0.932 30 20 JCED CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1765664905 VUCARAATWHXOAK-JOCHJYFZSA-N 455.519 0.732 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C1 1778077687 KUGJZWOTGUCDKH-FPBPVBFYSA-N 452.577 0.894 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066702 GEWQHZLZQSQCNV-VWLOTQADSA-N 496.601 0.211 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1779400081 LYEIAMOTAMKQLK-CIVUBGFFSA-N 452.504 0.033 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2)C(C)C 1780798327 GALAMGMZJGKYCI-KTXJPYHWSA-N 491.589 0.786 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1 1783127417 PLLIRTJKIBROJT-HYBUGGRVSA-N 481.590 0.890 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)CC)[C@H]2C1 1784453219 JNBHGVUMFZTAQW-SOWBTEIWSA-N 499.630 0.870 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1784474051 AZPVANLAXOVBEF-CEGNMAFCSA-N 493.601 0.622 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787511333 FQFGRSIORICVSF-XSJLIEHZSA-N 465.528 0.531 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601411 GMFRYWANLASDGE-KISRJLTBSA-N 495.621 0.978 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791077723 GLEXYVYMRLBUNS-GWOIBFRYSA-N 475.542 0.701 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1792529520 RBBGPZIHMUNPTF-JMEXBRRFSA-N 462.547 0.763 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1c[nH]c(C)c1C(=O)OCC 1793125209 ZWQDPCNKSWUGDB-KALPFLKPSA-N 486.569 0.880 30 20 JCED C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1ccccc1C#N)NC(=O)OC(C)(C)C 1793154447 IUJQAODGEFTGLF-JDCPMNFLSA-N 486.569 0.964 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n(C)n1 1794328274 XMQFYAKSKXULTG-BASYENTBSA-N 461.519 0.246 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)[C@@H](O)C1 1795416398 MMWYTVCAHNMDTQ-OREBXVKISA-N 450.536 0.498 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncsc1Br 1796491382 XJKANDHIILBBQY-JFOCVIJASA-N 469.361 0.967 30 20 JCED COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744331 CCKMZYMRNIIRKS-UETFECSKSA-N 498.621 0.134 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1797786417 MVLITFLMLOVGMQ-VCKQCMOXSA-N 478.523 0.571 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COc3ccccc3O1)C2 1797809001 WWCICLAATVBWRF-DWYPJILISA-N 459.499 0.945 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1798411046 GARLDZNCHYOCQC-ZUMXRPEOSA-N 491.595 0.186 30 20 JCED CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236347 LUMJSXALGWEHOG-HGKCTWBKSA-N 477.562 0.253 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1799248250 UFGRVORYRBXOQR-YYAJDYIMSA-N 466.535 0.726 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1799303740 SKTRXQAVFDPEAV-OPMZPASUSA-N 472.542 0.631 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOCCOC 1799383838 IAPKUOVCBQWASH-HATOLVCRSA-N 474.620 0.582 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC=C)C2 1800981246 LIPNETAOSXUJTQ-ZMMAXQRCSA-N 480.562 0.958 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1800994231 MFQDATFISKQRFI-CWPLJXCYSA-N 472.567 0.234 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801531554 VREPKRSSCVAIHL-ZMMAXQRCSA-N 487.619 0.870 30 20 JCED CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1810306136 HCVKKVDXHMRRAV-PKOBYXMFSA-N 459.620 0.853 30 20 JCED O=C(CN(CCO)CCO)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1812714281 FZVSQUNGGZADNA-XUZZJYLKSA-N 472.586 0.073 30 20 JCED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819952177 XKVATEAWSQJVNT-PKIICXIDSA-N 466.483 0.812 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824974484 GQHMMWAQVJXDHL-PNXCTOMCSA-N 498.646 0.866 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1828026599 MQVBZEDSGKZKRR-TZMCWYRMSA-N 468.495 0.604 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1829352278 CJQJUPGSONLHFK-CYFREDJKSA-N 471.558 0.607 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=N)N)C2)C1 1829461182 MTUJXCSHTBPFBL-HSZRJFAPSA-N 454.531 0.335 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4o3)C2)C1 1829771868 YEFCPNVULVIBHU-XBKFQHLESA-N 454.483 0.756 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1830053206 GYKGSHAVZYOARQ-DEOSSOPVSA-N 468.510 0.679 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1830061714 SXSNRNJYEDXHDK-OAQYLSRUSA-N 459.528 0.746 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1830778762 WJXMPXSQLSZOTB-RLSLOFABSA-N 492.617 0.844 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1830838998 YKTIIHNIWSKJQQ-QMHKHESXSA-N 475.567 0.376 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1831391906 GVNHAZOSJGHMCI-OSPHWJPCSA-N 468.510 0.042 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831609894 SBMRLZSLIACQQF-RCDICMHDSA-N 454.487 0.016 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2)NC(=O)OC(C)(C)C 1831614182 GCBYIHPHOATUJW-QZTZHPFYSA-N 496.605 0.814 30 20 JCED C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)C(F)(F)F 1832163228 VRRRBNATFWROGU-UXHICEINSA-N 481.431 0.818 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246348 DBRAGSFKLUBSIM-ABAIWWIYSA-N 460.446 0.752 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ccncc3)CCO2)C1 1832706109 PZHHAYPYEYEYRJ-JOCHJYFZSA-N 461.588 0.912 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833450102 JHUNWWXJZJZNIU-KRWDZBQOSA-N 484.667 0.168 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CC2)CC1 1833464417 YIRZSAMOBQGQBZ-REHUZNOOSA-N 498.624 0.776 30 20 JCED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1833506079 OFNIUJCHUPJIER-CSQDXPTQSA-N 463.491 0.084 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)CC1 1833685516 WHIORWNETWFUEY-KRWDZBQOSA-N 458.559 0.437 30 20 JCED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cccc1=O 1833873763 YFHDSHHFXUHBLJ-XMMPIXPASA-N 457.527 0.154 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833877433 CSSCRMZFISYGLU-KSFYIVLOSA-N 478.550 0.355 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnc(OC)cn3)CC2)CC1 1834314197 CZQFUFJCOBJIAH-PLNGDYQASA-N 456.547 0.529 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834756014 ILCIXDWESRIVKW-MBSDFSHPSA-N 488.545 0.545 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835521648 VOHYMJJGXPVECE-PNLZDCPESA-N 454.568 0.507 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835766054 VSSNMEDHAWEQIV-IICXHKGZSA-N 475.590 0.945 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1835796179 UQSFUDLHBKLIOB-ZWKOTPCHSA-N 487.605 0.967 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836027461 LHTQYMZGVSBOFQ-SBUREZEXSA-N 491.545 0.294 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836377829 AIPOHEBODFARCM-OAQYLSRUSA-N 464.544 0.246 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836815924 WPFQTXUZKFPTIA-DEOSSOPVSA-N 476.493 0.979 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1836861605 ZFAIDAVPQUDHGV-VQIMIIECSA-N 467.563 0.866 30 20 JCED O=C(/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)NC1CC1 1837250990 VYSAWGQFHALDEA-VELRTKLYSA-N 473.551 0.778 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=C\C(=O)NC5CC5)CCO4)C3)c2c1 1837254731 OPDMLYGFWFUZIM-VRWDYKOXSA-N 478.509 0.339 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837403482 MUOXQBJGKVTVHX-HTAPYJJXSA-N 450.488 0.447 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837444319 XZFRBUXJPOMNJR-NZWZXGNYSA-N 465.551 0.444 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1837531679 SWECXGBTNJVOMR-CWZGJQGVSA-N 450.467 0.820 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837561526 QSRKUNOZERRKOV-JJDHCWFKSA-N 469.498 0.822 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837972511 KJVGKGIKQUPVLB-UUOWRZLLSA-N 491.541 0.759 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838795924 JZABBBDFQQWHKQ-HYBUGGRVSA-N 469.542 0.910 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)c2ccccc21 1838906965 QBZMUSZNDMTHFA-AREMUKBSSA-N 489.532 0.982 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839062025 XRWLLQIGZULWON-CPJSRVTESA-N 486.569 0.997 30 20 JCED C[C@@H](CN)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131237 SYHDBYUVWUAKSX-MHECFPHRSA-N 493.605 0.578 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1839176426 NWVUCSVDPNNECV-HXOBKFHXSA-N 483.562 0.865 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1 1839184718 AFGUALRKQRVFBX-JTSKRJEESA-N 455.552 0.949 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1839204043 FISVYRGCHXKJPD-IIBYNOLFSA-N 491.532 0.930 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c(Cl)c1 1839423641 OVQCKZFIGPDHRJ-QFIPXVFZSA-N 462.934 0.614 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839437386 UTCZSXIJQNNARE-DEOSSOPVSA-N 483.525 0.847 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)Cc5ncccn5)C4)C3)c2c1 1839487319 AYBIJHUEDCGNQR-QHCPKHFHSA-N 461.482 0.537 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488720 FMRRNNMLCOOUJK-PEBXRYMYSA-N 454.487 0.029 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1ccnn1 1839710257 IBNJKMNNAVHHNJ-KSFYIVLOSA-N 456.478 0.549 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043880 ZNLQZTLPLPYABY-MHECFPHRSA-N 487.509 0.093 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2cnnn2)CCO3)cc1C#N 1840480810 SRLMZRLYIFELMM-HXOBKFHXSA-N 483.529 0.663 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840540664 CIXPRRYYTHZSOL-IEGUWTFLSA-N 465.547 0.396 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(C)C(=O)CC4)C3)C2)c1 1840712649 PALPNEXABOWZSI-XDHUDOTRSA-N 467.526 0.992 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCN(C)CC4)C3)C2)c1 1840714921 LYRLWVCMXWGLIA-CPJSRVTESA-N 469.586 0.631 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)NC=O)C3)C2)cc1C#N 1840763593 GLGNWPPBFDFHGU-UZUQRXQVSA-N 458.515 0.550 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1840906385 AHTAKTKDJBUXJN-IMWIBFENSA-N 478.590 0.454 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1840907585 YXIODNNIUNEJEV-CJFMBICVSA-N 492.617 0.701 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC)C2)C1 1840908930 STTDIMQAVHAJEL-HOIFWPIMSA-N 453.536 0.394 30 20 JCED Cc1ccc(N(CCC#N)C(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 11280098 VEQPTKKCNDAQGM-UHFFFAOYSA-N 466.498 0.931 30 20 JCED O=C(COC(=O)c1sccc1-n1cnnn1)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 46766769 ZJGJUBDKQVZUHY-UHFFFAOYSA-N 475.512 0.990 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccccc2)c1=O 501765501 ZNQSLPNAWSYDDI-KRWDZBQOSA-N 455.536 0.661 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2Cc2ccccc2)CC1 514537507 APSPCUWGPADOSX-UHFFFAOYSA-N 462.579 0.359 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(N)=O 524281831 BZXFMNBUPLHXCE-UHFFFAOYSA-N 469.350 0.358 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 589776524 IZVPEJNLYFSGSJ-UHFFFAOYSA-N 485.562 0.542 30 20 JCED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1 590999171 PVYAMYJQFBNIOK-UHFFFAOYSA-N 452.580 0.813 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(C(N)=O)cc1 608828145 HTBAEZOTBHGBRG-UHFFFAOYSA-N 451.533 0.568 30 20 JCED COc1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1[C@]1(C)NC(=O)NC1=O 608982032 WDLFSZFXQQQAFW-QFIPXVFZSA-N 484.538 0.964 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 811834111 HVOQYXCEEBIODL-UHFFFAOYSA-N 461.471 0.803 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@H](C)O 887546100 AZHXWJIRFNRGMG-SUNYJGFJSA-N 463.512 0.811 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC[C@@H]1COc2ccccc2O1 913174147 XLKYEDUOBGHMFR-GOEBONIOSA-N 459.480 0.724 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1F 914659087 GEGVVJMNAOICKW-UHFFFAOYSA-N 496.517 0.979 30 20 JCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286538692 RTTRGDUPZDCPMY-OAHLLOKOSA-N 466.384 0.882 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncnn1-c1ccccc1 1288826792 VKTGXJCYTSJHGN-AUUYWEPGSA-N 459.511 0.959 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1296240842 ZQNIPMTWZTWHIB-KRWDZBQOSA-N 465.562 0.985 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1301913683 RSONRSOGGOFTPX-FQEVSTJZSA-N 470.530 0.612 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(O)CC1 1303642059 UGEGDUVIGQZQBR-SJLPKXTDSA-N 469.612 0.196 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1360713691 JEJBOJDTKAQNNQ-MAUKXSAKSA-N 473.559 0.792 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1545148395 LNBJKOCPFGOAEM-TWOQFEAHSA-N 468.580 0.281 30 20 JCED COC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)OC 1555257057 VATHGVIQGDWLPT-IRXDYDNUSA-N 456.569 0.402 30 20 JCED CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1614983932 LCNQIAYEHCSZBK-INIZCTEOSA-N 453.569 0.267 30 20 JCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(Br)cn2)CCO1 1620356384 XZXPYRXNCSZTDU-JSGCOSHPSA-N 470.353 0.568 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 1690866507 UIUYGJITSDTFAR-QGZVFWFLSA-N 473.603 0.850 30 20 JCED CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1708633050 ITSYRDFMYLIUER-DFBJGRDBSA-N 480.617 0.920 30 20 JCED C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722481707 JACYDNUITFQSRK-UHFFFAOYSA-N 477.367 0.625 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779543577 XIVWFBKAVOUKKP-JXCVUKRWSA-N 499.309 0.316 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C3=C4c5ccccc5C(=O)N4CC3)C2)C1 1780005322 MLSRSBPYDNBANY-UKDBKGKESA-N 476.533 0.946 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1781270584 QHFOLSCUEJAIFQ-YQTDCCHMSA-N 459.499 0.791 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781339335 CHCFFTBPCAHILF-LZJSLVMGSA-N 481.594 0.564 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1781399469 CVCYXKMQMZBEAA-UUOWRZLLSA-N 499.572 0.810 30 20 JCED CC(C)(C)OC(=O)N1[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C[C@H]2C[C@H]21 1783272555 YZCYANZZXRJZTB-SRBLKJDUSA-N 475.542 0.986 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)C2)C1 1783495194 SHBCJQMLHAXAQL-FJFBRFEOSA-N 491.585 0.879 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCS(=O)(=O)CC4)CCO3)C2)c1 1785076986 MIECNVLWWNVDKA-MBSDFSHPSA-N 474.583 0.488 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CC)NC(=O)OC(C)(C)C)C2)C1 1785339882 FUGGEWNXPLFXEB-LUFBEXLNSA-N 464.563 0.978 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)CCO2 1785425164 GQGIIHAPSQFRDU-HSZRJFAPSA-N 483.529 0.370 30 20 JCED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)n(-c2cccc(=O)n2C)n1 1787152866 MEIAQLMWCWJYNS-LNLFQRSKSA-N 464.526 0.777 30 20 JCED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1788613830 OTKLRZWEIZWWJW-LQXZAOOASA-N 464.613 0.951 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1788659623 QUPXCPGKEJWPHV-PVTWMTORSA-N 481.575 0.298 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=N/O[C@@H]5CCCCO5)[C@H]4C3)cc2C1 1788660984 STBGDXPSBRAZCS-WLMZDOJFSA-N 488.589 0.841 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H]3C(=O)OCN3C(=O)OCc3ccccc3)[C@H]2C1 1789722877 SPOSCBIULNFKKH-TUFLPTIASA-N 483.521 0.901 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790860295 UOFVMVFWMSDRJQ-FKSLSLAPSA-N 478.590 0.962 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)C[C@@H]2C1 1791077773 JEMACJJTFKZWSU-JCHKBEJOSA-N 475.542 0.701 30 20 JCED CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)[C@H]2C1 1791192535 ROMZSEKMFAZUSG-NBOOPKSLSA-N 486.635 0.704 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CN(C)C3)[C@H]2C1 1791793230 OYQYWKXPQWBXOQ-WNHJNPCNSA-N 450.580 0.997 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1793313815 LTDOYOBGJUTQPO-HEFCWWFNSA-N 478.571 0.027 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n(C)n1)C2 1793593984 ZDCFVYGQFWTOBG-BASYENTBSA-N 463.535 0.798 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)c1ccccc1 1795299203 RYTHQZHXMWLECA-RMFSNUHRSA-N 476.599 0.722 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H]1Cc2ccccc2CN1 1796327644 TVYARDGHMUVUHT-LKROHBFQSA-N 456.543 0.820 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1)[C@H]1SC(=N)NC1=O 1796445179 JXJKTQNMMCLSOI-RSKGHJJQSA-N 476.580 0.879 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2)c1ccccc1 1797872777 CQJVQNDUUFBODV-KHUIQGCPSA-N 487.622 0.504 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2 1799320852 RTNYSGWCKOSRMB-YVSFHVDLSA-N 462.551 0.878 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1800351563 JUBRGXLEPMCAKA-SFNKJDCFSA-N 491.589 0.641 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1)C(C)(C)S 1800529346 INDLBMOIHWYBRB-BDLOOMQFSA-N 484.619 0.314 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1800536594 AJHGBHOCKRXUEM-SOVHRIKKSA-N 450.536 0.017 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)C2)C1 1800779088 STIATWXLMPGLDJ-HGKCTWBKSA-N 461.515 0.311 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(n2cccn2)CCN(C(=O)OC(C)(C)C)CC1 1801444289 SRNCYMHJRRDHIE-OPVJXMOQSA-N 471.558 0.832 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)c(F)c1 1801869000 GPWJHTRJOIZMAN-HGKCTWBKSA-N 480.562 0.714 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)CO2)C1 1801886750 QBRDLAFIWDWAHH-WCXIOVBPSA-N 461.515 0.739 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1801995656 HQUWGBBMBJLNHL-ZSBFGKGUSA-N 455.389 0.632 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1810559798 OOHNJIBQEFZMJJ-AABGKKOBSA-N 458.563 0.520 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cc(=O)nc3sccn23)[C@H]1c1cccnc1 1811268069 YBLQSEGGWPEVEZ-AUUYWEPGSA-N 451.464 0.559 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1811406026 BTJBENQPCBVCBY-NBHGPNQESA-N 476.493 0.880 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c1 1811718375 OYTJWZLTDHGJFU-KKSFZXQISA-N 464.457 0.964 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813179497 WOENOQBSIPDQMA-KBMIEXCESA-N 473.489 0.963 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C(C)(C)O 1814218919 FVYGBNCYBYCDLB-PWIZWCRZSA-N 488.541 0.840 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)CC1 1827674900 NPMBAUMTYKMPPD-ZTBDEIDFSA-N 480.631 0.890 30 20 JCED Cn1ccnc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828740889 LADQHOJTSSSPEH-DEOSSOPVSA-N 479.493 0.574 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCN2C(=O)OCc1ccccc1 1829136951 WUNOHHASIUIUSV-YADARESESA-N 464.526 1.000 30 20 JCED COCC1(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)CC1 1829330657 NKHXEKZJAGYKRX-RUZDIDTESA-N 483.521 0.953 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1829762527 LBRUGIQGSDAMLS-OSPFBIDGSA-N 474.470 0.516 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829903824 DJLBUWVDXCFBRX-AVRWGWEMSA-N 492.536 0.166 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885801 LFQZTTDPZZPFKA-MDOVXXIYSA-N 461.581 0.037 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1831387984 USONLYFSNVOWCH-YDIMBITNSA-N 461.559 0.272 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H](F)CN3C(=O)OC(C)(C)C)C2)C1 1831391439 BHJXHMIXKGRDID-UAKAABGRSA-N 497.564 0.829 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1831997472 AZAYNNZRFYAFLI-MWTRTKDXSA-N 491.545 0.722 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833833391 RJMKRMKCTWTLLL-IRXDYDNUSA-N 485.585 0.603 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834168524 PZBCSFCTKFCKDZ-MBSDFSHPSA-N 477.562 0.960 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)C1 1835347666 BPTAVHIDWFTDMH-GOTSBHOMSA-N 478.546 0.118 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835359055 UYGSDKPACFQTSC-OAQYLSRUSA-N 454.524 0.288 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1835677153 JGINXUWEPDUUJA-QHCPKHFHSA-N 454.531 0.915 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1835754668 NXAQRVNZUTVIOA-KKSFZXQISA-N 482.578 0.854 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1 1835768901 OELWBOSCEYQXTE-IBUSPFOHSA-N 461.567 0.769 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)n1cnnn1 1835768913 OYLSLRHYSSSLFA-CFZWTVACSA-N 462.555 0.335 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 1835844935 WCKSTDKGUGUEIX-QFIPXVFZSA-N 455.559 0.895 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835874385 YMIZSDPPNRXPOO-SPLOXXLWSA-N 459.528 0.382 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836052128 PAMXKYWDZDKACR-RKTCWTLSSA-N 461.519 0.395 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)ccc1Br 1836353679 ZPVXATWEDZKSKB-IBGZPJMESA-N 475.303 0.823 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836477003 QZFKQQLMOCRAAH-YZZKKUAISA-N 464.563 0.440 30 20 JCED O=C1NCc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)ccc21 1837148704 AGMXFDIVJCSYGV-YGYQLRJYSA-N 466.494 0.712 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1837428719 AFRQUIXIKXJBOC-QFIPXVFZSA-N 463.655 0.334 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837440089 CAAQVKJHOAIONU-DNELUHANSA-N 478.590 0.894 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1837469045 HFJMEMWWLNOJKI-HXOBKFHXSA-N 473.599 0.868 30 20 JCED C[C@@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(F)(F)F 1837486967 VGJAVHYXCCNCFT-UYAOXDASSA-N 462.465 0.455 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1)c1ccccc1 1837613232 YOARKGLAFOVRFL-SQJMNOBHSA-N 467.570 0.480 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837758964 HJXLRMCFUARBEF-AOMKIAJQSA-N 463.535 0.796 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837837760 LNJLNVKNSKMMNR-XLKWYTADSA-N 450.927 0.672 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c(C#N)c1 1839131546 JXILYIROQQSTEQ-XMMPIXPASA-N 482.493 0.279 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c(Cl)c1 1839422886 QVYSVUOXIHDSOZ-OAQYLSRUSA-N 462.890 0.734 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c1 1839453762 CGEWWDJEADDLPG-DHIUTWEWSA-N 459.499 0.553 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc(C)c(O)nc4=O)C3)C2)c1 1839453923 JUQZWSQWNITMGV-XMMPIXPASA-N 481.509 0.208 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)C[C@@H]2C1 1840003111 WOTJUDQVNXORNC-CQLNOVPUSA-N 491.541 0.178 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1Br 1840043393 VJRRYYGALXLRPV-HXUWFJFHSA-N 465.300 0.916 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1840180810 HPOYTXQGWGLHQT-XZOQPEGZSA-N 459.499 0.438 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1)c1ccc(O)cc1 1840221822 MENQWWTZSNZSLJ-QVNIBDNGSA-N 487.553 0.408 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2)c1ccc(O)cc1 1840233666 XUXKLFKLHIYLOC-IPVFLDMMSA-N 483.565 0.872 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840344404 DXTTZTFVLMUGFK-SHNIVAPPSA-N 487.557 0.796 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840647670 OJNVQZOJPPGUEB-HSZRJFAPSA-N 459.499 0.365 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C3)C2)c1 1840714327 QCCLEWUJQICONO-GYCJOSAFSA-N 491.508 0.428 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1840912705 MBJKEUDTWHHVJY-ZGNKEGEESA-N 490.561 0.355 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ncon1)C2 1844215501 NONGHTLLOIUUKY-CQSZACIVSA-N 478.506 0.692 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)N1)C2 1844215549 SIPWUPSATVMDBC-HZPDHXFCSA-N 493.561 0.274 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC3(CCCN3C(=O)C#CC3(O)CCCCC3)C2)N1 1844283615 BEISHCKMDHSRGU-ZWKOTPCHSA-N 488.610 0.069 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC(C)=O)C1 1846004568 NVRXJUPCSHGDDN-NVXWUHKLSA-N 495.577 0.520 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](CC)NC)C2 1846365936 FGRKIVZKWMLTGU-IRXDYDNUSA-N 481.594 0.993 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)NC(=O)NC3CC3)nnc12 9558928 CSJVSCBBYSERTH-UHFFFAOYSA-N 456.484 0.854 30 20 JCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C#N)cc1 19165606 IWPROTZPJDDXOR-GOSISDBHSA-N 479.536 0.822 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccccc1 480187513 XDAHWUCCHOPVEH-UHFFFAOYSA-N 463.515 0.936 30 20 JCED N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)c1 506425914 DAHSNHOSRUHIDJ-UHFFFAOYSA-N 475.509 0.705 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2OC)c1=O 523476373 GSOZFGVBXJAEON-UHFFFAOYSA-N 470.595 0.622 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccn3)c2=O)cc1C 603801596 AYAHXGDBGVOFFB-UHFFFAOYSA-N 489.601 0.862 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 727233454 QCOTWNOIVHISJD-CQSZACIVSA-N 487.314 0.969 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 729256735 FRJBFVBONUFBDT-SFHVURJKSA-N 466.629 0.741 30 20 JCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)Cn1[nH]cc3c(=O)ncnc1-3)CCCC2 730659458 WJBBVJOYDAOWEF-AWEZNQCLSA-N 479.497 0.984 30 20 JCED N#Cc1ccc(OCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 748134877 VWIVKNTWCLTWBO-UHFFFAOYSA-N 468.491 0.885 30 20 JCED CCCCOc1ccc(C=NOCC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1OC 913033431 ADRRNWYXFIHHPB-UHFFFAOYSA-N 498.602 0.946 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cccc(C(N)=O)c2)c1 918262407 OGBCDJPCBASLCD-XIEYBQDHSA-N 457.512 0.853 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F 920027897 JEDKPJAZGFFBKT-UHFFFAOYSA-N 486.503 0.907 30 20 JCED CCNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1313966396 SFXZFOYMKPHEEM-UHFFFAOYSA-N 496.620 0.917 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1316354677 SEKDGQGFIWSTFN-QGZVFWFLSA-N 494.599 0.245 30 20 JCED Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1466940066 QIJJBMVTKJMQMH-FQEVSTJZSA-N 452.496 0.492 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1503437509 XARTZFIQTPSIGC-GOSISDBHSA-N 472.571 0.937 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1509786916 ZBMLJTFXHILDDL-SFHVURJKSA-N 486.602 0.755 30 20 JCED CNC(=O)c1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c1 1554415121 LYEAYZKFKBXWPF-MAUKXSAKSA-N 475.575 0.757 30 20 JCED N#Cc1ccc(N2CCN(c3nnc(C(=O)N4CCCC4)n3CC(=O)NCC(F)F)CC2)nc1 1555989907 UOFWPPZZOYUNTQ-UHFFFAOYSA-N 473.488 0.489 30 20 JCED N#Cc1cc(F)ccc1CS(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1659357989 YWZHVQMRWUZQQI-IBGZPJMESA-N 459.565 0.739 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705755774 YCEHEHKQGLPYOK-HUUCEWRRSA-N 473.987 0.404 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1710013583 PDOYNVJXTMCHMF-GJYPPUQNSA-N 457.576 0.783 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C1 1710346943 OFNUAWLGUPEYPK-QGZVFWFLSA-N 466.589 0.769 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCC1CC1 1723613081 VVSXSWPKOXJIBT-UHFFFAOYSA-N 451.535 0.536 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCO[C@H](C)C1 1726470791 KAXWCZJWUBCQKZ-HPFXQQBRSA-N 451.597 0.880 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1=O 1769896778 QNOMNYDOFIFMNF-LJQANCHMSA-N 481.557 0.607 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)C1=O 1778710761 LPTQZXOUDPBDOR-DMSMLWMESA-N 470.482 0.794 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779022088 YQVZKCBBDBJACZ-KWAHZMDQSA-N 493.605 0.924 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)C1=O 1779135791 GIJBYSNJEXJFQW-YQSZEYAUSA-N 450.451 0.977 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)CC1 1781170165 SGCMHZMLQFERNU-HSZRJFAPSA-N 487.561 0.649 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781320801 MHBMYMNZTQAKRA-MBSDFSHPSA-N 467.563 0.522 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782054873 APWPZGYYSUVCFT-JSMQRPJFSA-N 493.557 0.349 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)COc5ccc(O)nn5)C4)C3)c2c1 1782676579 KREPXRNAMSYCPA-QFIPXVFZSA-N 463.454 0.453 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783156446 JCVGVRCYPAEDFD-UJUVCNOISA-N 450.536 0.551 30 20 JCED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C34CN(C(=O)OC(C)(C)C)C4)C2)C1 1783474459 FCJPVBSFPCAFJA-JTSKRJEESA-N 497.614 0.817 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCc3[nH]cnc3C)C[C@@H]21 1783531770 UZXYUSBHWQGEPP-TYEGUXDJSA-N 461.588 0.789 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1783864668 GVSQJBPCTALSFL-UAVXPKMJSA-N 496.630 0.932 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)cc1 1784122218 CUHBPGWTTUQQDA-ZULIPRJHSA-N 474.583 0.945 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785306872 VGNVTTSLTNQUTN-QZMQVMSPSA-N 481.594 0.269 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)nc1 1785376601 WLTZUCGKHLMZRC-QHCPKHFHSA-N 484.534 0.879 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]2C1 1786848010 UPHUBZQDFKNFIN-QXCZDIPSSA-N 482.622 0.781 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789296554 BVZNPPVKQXZICG-OVWQWFNUSA-N 473.530 0.280 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1791143085 QHJUFKYEQMFWQZ-TUFLPTIASA-N 487.594 0.463 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1792129197 UCMMPDQGJBMSSO-OWSLCNJRSA-N 470.636 0.837 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1792279345 QQRQLNMTCOQZRJ-FJIDUMEYSA-N 494.593 0.612 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3sc(C)cn3c1=O)C2 1792489463 YAFQKKHZPIVFIA-KQLJBOCNSA-N 471.539 0.126 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)C(F)(F)F)C3)c1 1792833931 SQCRZMDYYIKPOO-HGKCTWBKSA-N 452.433 0.759 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)OC(C)(C)C 1792993114 XJNWWDWTAVTSCE-UJIPNYDYSA-N 488.585 0.832 30 20 JCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1C(=O)N(Cc1cccs1)CC3)C2 1795083193 DRMFOUBEVDTHEF-CCWDJLKJSA-N 468.539 0.717 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)n2)c(O)n1 1796354552 DHLDCVJXKILZGA-IVWMJMPLSA-N 455.471 0.624 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 1797139312 OSGPJUWVYLUFBK-CEQLMSFQSA-N 490.582 0.442 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798594528 ATFKROLWDBIMHK-NYCLONFESA-N 457.487 0.473 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCNC(=O)OC(C)(C)C 1799258834 BJHCYALSRIEQEJ-SFNKJDCFSA-N 469.579 0.690 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C(C)(C)C#N)C3)C2 1800324170 BSVPOWYQVLTCLF-CUSZFKRNSA-N 457.531 0.762 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 1800706551 MGWNYSCBCADTTC-VCNBQAEXSA-N 488.585 0.691 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800779066 PXGKZBSBRWABCT-QTSPYONBSA-N 461.515 0.311 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1)c1ccc(O)cc1 1801440491 UYUCILUZHLPHEX-FSWZZPBRSA-N 452.515 0.727 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)n1cnnn1 1801440546 WZSZIPNRYNXFSB-IBEHDNSVSA-N 497.622 0.425 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c1 1801766492 ULJLWBFHQGGUCS-ALOBAPJISA-N 474.583 0.247 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(N)n1)C2 1802126583 KPBNJEYLMDCBSA-FQLMCAECSA-N 463.560 0.845 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nc(C)no1)C2 1802126659 LSXMUEVMAHQRQF-RCJHGTSTSA-N 461.519 0.427 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807023962 ZTDAHWRCBKBMRT-SJLPKXTDSA-N 466.479 0.094 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cn1 1812878516 JGYGRHUTOAIMJO-IERDGZPVSA-N 470.507 0.429 30 20 JCED NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1815062356 JTVLXFVUNBRUAO-YQCSNNAMSA-N 452.537 0.177 30 20 JCED NC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828576342 YYTNYCMJZHTMGI-DEOSSOPVSA-N 467.526 0.520 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCN2C(=O)OCc2ccccc2)C1 1829232461 QGNDIQFWWKRFTH-NBGIEHNGSA-N 494.552 0.769 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)cc1 1829635539 KPSYNANGPJXBTO-DEOSSOPVSA-N 465.510 0.204 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1829758076 SKJIVDGDCFXVLI-OAQYLSRUSA-N 463.560 0.348 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904663 RRVFJDVERKVNPF-URXFXBBRSA-N 487.509 0.052 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1830345933 HNYHNOFUFXOSPG-QVJNVZBHSA-N 477.514 0.756 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456199 FLOBHLNNWWCNQC-XUZZJYLKSA-N 456.543 0.862 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468761 XJNUPZJVLLVPEJ-NFBKMPQASA-N 477.945 0.299 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)[C@@H](O)C1 1831218414 SLVXUGFDIFHSLT-AXHZCLLHSA-N 477.558 0.084 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1831388801 XRRMAUISDBGCGI-VUMVONDWSA-N 493.557 0.060 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1831396952 MVNWFYYNNBNQSB-SZNDQCEHSA-N 461.906 0.720 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1831401990 KYRIQSIQQGBHEO-YVHKJVDXSA-N 453.536 0.394 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1831414137 RTXIQTSFFHKSLL-FQEVSTJZSA-N 471.601 0.286 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831486281 AUWAYGQJBKKLLP-DRSNIGMVSA-N 489.635 0.937 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1831999405 XLAAKPXTRXLYQD-OPAMFIHVSA-N 468.551 0.048 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1832000132 HVZGPAUJJWDXKZ-KOSHJBKYSA-N 496.605 0.684 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2 1832015184 MGPCOZRIPRLAFJ-DEOSSOPVSA-N 485.924 0.463 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1833335274 RXUBUMOQFGVITL-UZXXWRCNSA-N 489.529 0.639 30 20 JCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1833706912 ZWQUTJXTWYVHQE-FQEVSTJZSA-N 469.604 0.972 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834753854 RVERNTRYMOATMI-QDOLPFHLSA-N 486.591 0.018 30 20 JCED N#Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CNC(N)=O)CC3)CC2)c(C(F)(F)F)n1 1834941836 NPJXGFMPLOELDU-UHFFFAOYSA-N 481.479 0.826 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1835674664 CMOKEMRICVVOGA-ZWKOTPCHSA-N 450.458 0.038 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1835674943 HSEBLEPUFCREBS-JOCHJYFZSA-N 477.587 0.216 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1835680846 OORNCEJBCBFTKO-QFIPXVFZSA-N 475.502 0.652 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@@H]1CNc3ccccc3C1)CCO2 1835772413 KIQFCSUYAROJEH-MHECFPHRSA-N 455.511 0.595 30 20 JCED CCc1c(Br)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)nn1C 1836276215 HSQIUIQFWULGTI-GOSISDBHSA-N 454.325 0.729 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837490777 AJFVMRRNJBHTAT-XMMPIXPASA-N 467.526 0.727 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530635 OHPSGOYNCVDGHE-PVFZMYLSSA-N 454.524 0.773 30 20 JCED COCc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837531710 UIQHMOHHGJQQEL-YWJMUIPNSA-N 464.519 0.760 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564496 SAYYOSUYHZDRNS-NWBNNPRYSA-N 455.471 0.189 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccccc4C(N)=O)C3)C2)c(C#N)c1 1839132251 BIXDEHFHCZGDHB-AREMUKBSSA-N 492.532 0.978 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1839174006 ZTCJFGQWJUTHQJ-FQEVSTJZSA-N 499.362 0.762 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)ccc1Br 1839237429 IIOVDJGXCWALAE-FQEVSTJZSA-N 489.330 0.682 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)c(O)cc3O)CCO2)C1 1839251342 QXVBVXHLJZIAGL-LHSJRXKWSA-N 452.891 0.860 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(O)ncn5)C4)C3)c2c1 1839487736 VHHCZNRFTTYROS-QFIPXVFZSA-N 463.454 0.314 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cc5ccc(O)cn5)C4)C3)c2c1 1839488690 BTUMYGYHDFTDAD-XMMPIXPASA-N 476.493 0.848 30 20 JCED CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)COC1 1839489300 XAPAOUVNYXOCRK-QHCPKHFHSA-N 453.499 0.931 30 20 JCED CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839643483 PAYWQXUJODUOMU-MWTRTKDXSA-N 454.531 0.845 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C2)C1 1839807015 KMCKQHVJVVDEAR-HSZRJFAPSA-N 454.458 0.134 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840055391 RTIOQNIUNTXCQN-MHECFPHRSA-N 493.557 0.313 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840218461 HJOANQRCMZYSBI-QFWMQHCXSA-N 497.589 0.406 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCOC3)CCO2)C1 1840533222 UIPCTWIBUZOCOA-BSRJHKFKSA-N 467.563 0.949 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1840795946 LCANBSGVNPMQQN-IXFSTUDKSA-N 482.578 0.437 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840811687 SMNUNLQMOSHAOE-AOUJKTHWSA-N 484.553 0.316 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2)C1 1840840577 FLGPYHIEJJRXHE-SHVMMJTCSA-N 499.630 0.518 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1 16559557 UGTAKMACAFGHMK-UHFFFAOYSA-N 465.509 0.349 30 20 JCED CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 31138901 HPFKLQMAOFIJDC-UHFFFAOYSA-N 477.568 0.682 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1-c1cnn(CC)c1 501258510 OLAVLKRTESYOKX-UHFFFAOYSA-N 479.562 0.946 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CCN(C)CC1 517984114 MDAMTAJUJKWASG-HNNXBMFYSA-N 485.566 0.739 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCc3noc(C)n3)cc2)c1=O 523733449 NWKOXAFIWRICFI-UHFFFAOYSA-N 495.561 0.998 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1cnn(CC)c1 523863857 DRQBGKKCHFEIHO-UHFFFAOYSA-N 451.508 0.873 30 20 JCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)cn2)cc1 604146386 SBRWFCHGPOMNJC-UHFFFAOYSA-N 476.493 0.977 30 20 JCED N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c(F)c1 609255479 BZJFMVXCRSNFFA-UHFFFAOYSA-N 459.459 0.073 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1 616935734 KGGMDVRVZWCCBZ-UHFFFAOYSA-N 491.614 0.588 30 20 JCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 729416845 CGVSSNJBIXADDX-UHFFFAOYSA-N 493.567 0.168 30 20 JCED CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 744920410 OWSVAIVJDBTPGV-RBNDABMNSA-N 451.549 0.857 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 916200231 ZJIODDJXKNYIGJ-UHFFFAOYSA-N 459.524 0.364 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H](C)c1ccccc1 917794970 ORVVDTMZJYVNCI-CVEARBPZSA-N 451.552 0.907 30 20 JCED CNC(=O)[C@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 918986479 MYSPAVMWFWPPIN-LJQANCHMSA-N 458.496 0.639 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(N2CCS(=O)(=O)CC2)c1 919839324 HQSGHCMOJYYTJR-UHFFFAOYSA-N 462.553 0.989 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCOCC1 1288525463 OFMZSWXYGVUDDY-IRXDYDNUSA-N 469.612 0.460 30 20 JCED CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)N1CCSCC1 1306194758 SHXBVIYWMARUIQ-UHFFFAOYSA-N 476.632 0.812 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCOCC1(C)C 1360707506 FPNDMWXVBZPYHQ-FUHWJXTLSA-N 480.639 0.176 30 20 JCED CN(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1503385945 IRCHWZOGYJGBFV-IAGOWNOFSA-N 467.596 0.214 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCSCC2)CC1 1510293030 CXHMHOMCHXZOCM-KRWDZBQOSA-N 483.664 0.790 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1519530863 PMAQHZQBHGOVHU-INIZCTEOSA-N 464.573 0.333 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC3CCCC3)CC2)c1C#N 1556216623 AKFYLQXWAAPTNJ-LJQANCHMSA-N 457.579 0.970 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1611687122 RSSQWAWIDNDNSH-AUUYWEPGSA-N 484.579 0.923 30 20 JCED N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 1616675439 UKCGTYMVUQGCPP-CQSZACIVSA-N 453.322 0.842 30 20 JCED CS(=O)(=O)NCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1620176181 MDKQZUGONWOBER-SFHVURJKSA-N 469.930 0.853 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1692573304 OVMPLFAGTGNKBX-SFHVURJKSA-N 457.560 0.956 30 20 JCED C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1692841383 NMIALRXWEULEQX-MDOVXXIYSA-N 465.507 0.836 30 20 JCED CS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1698306555 JDHMSROTFSOLSN-GOSISDBHSA-N 457.560 0.468 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1706748112 SURMSVVOBKISPP-ZFWWWQNUSA-N 456.960 0.899 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC2CC2)CC1 1724009533 DFVJCGUDKSXMST-INIZCTEOSA-N 465.580 0.267 30 20 JCED COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1730426359 RQPYCKCTIAVRRQ-UHFFFAOYSA-N 469.546 0.938 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749086768 NZDNYMJPEFHPOJ-YPMHNXCESA-N 465.374 0.138 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779099344 UHJMRGFTPMEEAM-MVXSVTHPSA-N 484.550 0.231 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1781049415 JATTUQMZSUXHOZ-BVZALQNUSA-N 483.562 0.853 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781166425 OICFMCLUFMCALW-MBSDFSHPSA-N 474.562 0.805 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1781290924 KFEGAUPMBZKRCG-QZMQVMSPSA-N 464.563 0.954 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1781384089 ZOPJLLKONVDMOX-HSZRJFAPSA-N 478.546 0.416 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782010444 OTOWETAGFWJBNY-MNFWLRKXSA-N 493.557 0.206 30 20 JCED COC(=O)N(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)Cc1ccccc1 1782069794 JFRKJTYBHIWUKL-NTKDMRAZSA-N 471.510 0.857 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CN(C)C2)C1 1782749546 RCRXQRKZCOXDPI-XLNZFTOWSA-N 462.591 0.979 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(I)c(OC)c1)CCO2 1783047884 LOEOLHQWINXBNN-QGZVFWFLSA-N 455.252 0.772 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783168306 YNXFHLOZVXVTCE-JXULPDFHSA-N 462.547 0.422 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783678823 BDMUFPNAWGGTRI-DENIHFKCSA-N 458.552 0.104 30 20 JCED CN1CC(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C3)C2)C1 1783781790 OFNXKRPYHDOLGY-ZHRRBRCNSA-N 470.636 0.980 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1783865059 RAIKTKAAMPFPHZ-WCFFLTKMSA-N 491.676 0.946 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C[C@@H]21 1784480304 VZERGQNMDWSWAL-QIJZPMMNSA-N 462.568 0.787 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C[C@@H]21 1784483369 TWYWFNADJBHKCA-SPOLIRPYSA-N 495.573 0.461 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1)c1ccccc1 1785029813 WCCCWAGIOYSNIK-TUFLPTIASA-N 466.538 0.715 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1785379047 FPYCSOWBGVXHRY-QHCPKHFHSA-N 490.582 0.439 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1785577654 PJTPCESUAUIJAW-VLIAUNLRSA-N 491.463 0.838 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1785624801 VKUIYGUNARMBHL-MHECFPHRSA-N 491.589 0.572 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785707150 AWKSZVOABBZOJK-ZVZYQTTQSA-N 453.586 0.998 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)[C@@H](O)C1 1789810706 DDOGXESGTXFSOG-ATIWLJMLSA-N 450.536 0.498 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789841559 WYKGMMSRZXRLIH-MQGJPIDWSA-N 472.542 0.240 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1789912129 NZPBDYZVWOXCKK-YOESJJQFSA-N 486.569 0.972 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1791108143 OBHRCZFZBRTZHA-XUFBONQXSA-N 481.590 0.928 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(-c3cccnc3)c1)C2 1792484164 DWPUWZBKYUCFOG-DBXBBDQRSA-N 450.499 0.329 30 20 JCED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1793567836 HAVJSSWNSLMZJI-WCXIOVBPSA-N 497.556 0.803 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793943343 HZDHVEXMKBUHDU-ORDFZIBCSA-N 493.561 0.034 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CCC(N)=O)cc1C#N 1795533838 TWCSEDCLQQBXEL-NYUBLWNDSA-N 457.531 0.141 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1795602291 GTDWRAXUHXCNFQ-OPMZPASUSA-N 479.537 0.601 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2c1CCN(C(=O)OC(C)(C)C)CC2 1797112833 IZZZYCFBSXASPO-HGKCTWBKSA-N 457.531 0.513 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1797695375 QBCAZXRLOHNLLC-JFILPPLUSA-N 482.463 0.883 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1797711697 ZPWYAFZVMBULKR-NVNANWAMSA-N 471.598 0.785 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)c1 1799749192 PMPRBMCHHBLNLN-YVWYUNDQSA-N 469.429 0.671 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1801989126 ATYOAXQWTCMTMJ-FEJSZKPUSA-N 465.510 0.675 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1802114205 JIRFKTBTBWIICY-FKHQRQKDSA-N 455.559 0.866 30 20 JCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1802151966 OKJRFHFONWZJSK-CLWJZODNSA-N 464.563 0.538 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c(C#N)c1 1804354436 ONVFXLHGRXYZPV-MONBJTKQSA-N 490.520 0.808 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1810247332 UXHWXOCHSGLJBX-SOLBZPMBSA-N 454.464 0.385 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1814062747 QJNBSOKFFMPHQS-XXBNENTESA-N 461.526 0.878 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@H]3CCc4nc(NC(=O)CC[C@H](N)C(N)=O)sc4C3)c2c1 1815066756 NEMDEENKIKKVHO-AAEUAGOBSA-N 466.527 0.710 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCNC3=N)C2)C1 1828805714 BCYKGZCOICGREO-QHCPKHFHSA-N 467.530 0.192 30 20 JCED O=C(CN1C(=O)CNC1=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828971184 WPEMNONLUIUVMF-CCLIMJOLSA-N 463.535 0.687 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828972589 VAANEWZCLYHUSQ-KNQAVFIVSA-N 451.564 0.766 30 20 JCED Cn1ccnc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332612 RWRBFPMCPIRZLF-XMMPIXPASA-N 479.493 0.574 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnn4)C3)C2)cc1 1829635743 MXZHBSNBTBUMCT-DEOSSOPVSA-N 465.510 0.816 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1830531581 QQIHZVQNJDXIHO-JLHGSKIFSA-N 455.552 0.683 30 20 JCED C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1830744406 ZGPLEYHKRUKUFX-OPAMFIHVSA-N 450.536 0.907 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)NC(=O)CC)CCO3)c(O)n1 1831179292 HUTPZECFZWGFPE-BXKMTCNYSA-N 474.558 0.891 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1831393674 ZUEQLQFMXQYZRW-AOMKIAJQSA-N 474.539 0.173 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cc1ccccn1)NC(=O)OC(C)(C)C)CCO2 1833105716 MQPSZUQSAXZLGN-YADARESESA-N 472.542 0.607 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)CCO2 1833223114 LYJJMFTWNNUQSB-DEOSSOPVSA-N 451.479 0.657 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cc3cc(C)n(C)n3)CC2)CC1 1833367436 WFQNOMAPZAQVTF-WAYWQWQTSA-N 456.591 0.701 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1833477356 HYMFAEJHDIXBNG-FQEVSTJZSA-N 461.651 0.929 30 20 JCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn1 1834530774 PDEMNODXOCPMFN-QHCPKHFHSA-N 477.481 0.617 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)CNC(=N)N)CC4)CC3)c2c1 1834677787 KYRSQBPNYJVTKW-UHFFFAOYSA-N 451.535 0.103 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1834716103 BKWXBVZTBJEZIJ-UHFFFAOYSA-N 498.632 0.484 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)=O)CCO2)C1 1834719903 IQDZFKHWEMUVPZ-JTSKRJEESA-N 453.536 0.891 30 20 JCED C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1835525560 IODDWRPBASTLEW-YJYMSZOUSA-N 455.437 0.637 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835703967 DHGFFYLLUDRXSB-SFHVURJKSA-N 488.589 0.351 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1835713932 OEHPNNGOSYMJBY-HXUWFJFHSA-N 472.590 0.385 30 20 JCED Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CCC4)CC3)CC2)no1 1835775933 RBRBMQOWJTWIPB-UHFFFAOYSA-N 456.547 0.978 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(N)s2)CCO3)c(C#N)c1 1835845638 VZUIMXJXMMHZIU-JOCHJYFZSA-N 471.539 0.918 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3ccc4ncnn4c3)CC2)CC1 1836340500 ZGFYAHWFHJNXIU-GOSISDBHSA-N 452.559 0.882 30 20 JCED O=C1CN(CC(=O)N2CCC(OC3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)C(=O)N1 1837076940 KRMYEUPSJCOCEL-FSJBWODESA-N 459.503 0.249 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1837392644 GLJVVEHYZCLFCB-VRXSFPRUSA-N 490.557 0.022 30 20 JCED Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837524770 MJHHQXGIXICOCS-CYSJGKSUSA-N 463.535 0.485 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(CO)on4)CCO3)C2)c(O)n1 1838798813 MNMGFMQKRFFUHI-QHCPKHFHSA-N 472.498 0.770 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)C1 1839043509 DKZXLJFASQYVBG-QFIPXVFZSA-N 460.556 0.314 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)C[C@H]1CO2 1839085712 LYCZPGKIEOKAMQ-VWMXVWASSA-N 490.557 0.525 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)c(C#N)c1 1839131371 DKPRGMIPGBZHTP-DEOSSOPVSA-N 465.510 0.598 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NC(C)=O)C3)C2)c(C#N)c1 1839131771 YQRPPAISYOQNAB-DEOSSOPVSA-N 472.542 0.480 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)c(C#N)c1 1839132273 BZUOEKRLYBWNMS-VWLOTQADSA-N 484.553 0.578 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CNC(=O)C4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839874647 FWYXRWHQOKIDHK-LLJLJFOGSA-N 492.573 0.145 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1840177292 WDDFPIZBPADOJS-DNQXCXABSA-N 473.526 0.563 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC(=O)NC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251900 DNAGHAJFAVMDIW-SBUREZEXSA-N 480.562 0.145 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1840293355 WADADBPKFQDGPV-QLVMHMETSA-N 450.561 0.439 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cc1ccccn1)CCO2 1840330673 LTKUZLQHJOPQNS-YJGAIIDWSA-N 456.543 0.575 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818261 UFPDBBPHCJOTKY-IBLIISRWSA-N 468.510 0.252 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C2)C1 1840841431 YYKONNDMZYSUFA-RUZDIDTESA-N 482.512 0.914 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC4(CCCN4C(=O)C(C)(C)C#N)C3)c2n1 1841139048 RHZNZWAPYWUUNM-UHFFFAOYSA-N 468.518 0.880 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1841745921 UIPMSPFKGLOHHL-HZPDHXFCSA-N 472.608 0.987 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1)C(C)(C)S 1842875156 GRDGWUAMSDSMPM-CQSZACIVSA-N 494.551 0.516 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C 1847261470 HFNCYWXPANOWJL-DPILCVQTSA-N 476.574 0.807 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 22600660 ZTZMHEUPNMGGQR-UHFFFAOYSA-N 454.552 0.672 30 20 JCED C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1OC 108034970 ITNUMEHSYUTUEW-INIZCTEOSA-N 458.558 0.535 30 20 JCED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 109891692 KSROWZHBOPNDKK-WBVHZDCISA-N 475.552 0.564 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccccn2)c1=O 501761642 IADNIDPVNUENLS-MRXNPFEDSA-N 456.524 0.056 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 501768652 DAQMAHMHQMAIHW-UHFFFAOYSA-N 486.506 0.133 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccnc4ccccc34)c2=O)cn1 517510888 MOUNXVIYORUAFD-UHFFFAOYSA-N 474.546 0.929 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CCNS(C)(=O)=O 524281081 FOFAXAQAHMTPKQ-UHFFFAOYSA-N 490.632 0.703 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc(-c4ccccc4)oc3=O)CC2)cc1 609536686 XXODUDXACFTERA-UHFFFAOYSA-N 453.480 0.908 30 20 JCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC(=O)NC2CCCC2)C1=O 726403828 NOPLFHAYOGHLOR-MLVIZHJXSA-N 481.600 0.329 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(F)cc2)n(CCS(C)(=O)=O)c1=O 729672900 NRXIIIYCEBMXDQ-UHFFFAOYSA-N 460.512 0.213 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 811828918 GOSMCVICDWGMFY-UHFFFAOYSA-N 479.536 0.644 30 20 JCED COCCCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 843472723 AQJQGFPBFLHAQI-OAHLLOKOSA-N 457.574 0.558 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)CCOc4ccccc43)CC2)o1 915380601 JLVZDWFHDDTWIE-UHFFFAOYSA-N 453.455 0.862 30 20 JCED COCCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918265956 LUUGAYKWSZSKJO-PTGBLXJZSA-N 453.565 0.522 30 20 JCED COC(=O)Nc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 919034321 PIYVIWZLVSNEPL-UHFFFAOYSA-N 460.468 0.874 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CCO1 1286947879 XOUOWCPHXSINKB-AYPBNUJASA-N 470.530 0.610 30 20 JCED CC(C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1287148398 GJGCGOKYBBAJOG-LVCYWYKZSA-N 481.623 0.195 30 20 JCED CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1301832238 KDLBRCHYKGRDOS-LJQANCHMSA-N 487.586 0.869 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1316360219 QZTMWLQARLSHGY-QGZVFWFLSA-N 466.589 0.769 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1=O 1504925808 NURAPHOBNDOZOU-UHFFFAOYSA-N 464.530 1.000 30 20 JCED N#Cc1ccc(CC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 1539727908 FTZZAMQFPDVPKM-UHFFFAOYSA-N 455.540 0.865 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CCO1 1541082627 JRENXOZUWURMMV-LJQANCHMSA-N 455.519 0.595 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCO[C@@H](C)C1 1541116369 NXANXWYZQNDOBA-QYZOEREBSA-N 483.639 0.708 30 20 JCED C[C@@H](CC(=O)N1CCN(c2ncccc2C(N)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1583717519 LSWVXLCKDPPGSD-AWEZNQCLSA-N 456.528 0.346 30 20 JCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)CC1 1617668509 YYPFVQKMXDOECH-XMSQKQJNSA-N 458.611 0.489 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccccc1)N1CCOCC1 1723959158 YLNSCFOYGAYSAU-YSIASYRMSA-N 489.602 0.691 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)c(OC)c1 1730091224 RSGWCQXTONVOGT-QGZVFWFLSA-N 456.503 0.940 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1746537116 PXYXNQNKTUMWBT-QGZVFWFLSA-N 478.600 0.912 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=O)c4cc(C)on4)CCO3)C2)c1 1780175317 LGDRXGLMHAHLCB-QHCPKHFHSA-N 467.482 0.737 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C2)C1 1780912655 DYHCNKLOXJBDQY-XDHUDOTRSA-N 482.541 0.185 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)N4CCN(C)CC4)C3)C2)c(O)n1 1781094129 JAFSWDAODRDBPX-UQBPGWFLSA-N 471.602 0.985 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1781165819 YTLVNRNZYJIOBD-NBGIEHNGSA-N 492.617 0.845 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781307913 HOBLKIDRIFANOE-JTEYNYCHSA-N 492.573 0.359 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1781379500 DLXOYZZFOGWXRS-RBBKRZOGSA-N 476.636 0.857 30 20 JCED CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1 1782017279 GIBJDIHLMBXVCX-DYESRHJHSA-N 482.942 0.959 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)ccc1Br 1783168945 SSBPEWSBBYSEKN-FOIQADDNSA-N 461.316 0.900 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN(CCO)CCO)CCO3)C2)cc1C#N 1785197998 QKSVFAZJBYMDDC-XMMPIXPASA-N 474.558 0.076 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)/C=C\C(=O)NCC=C)CCO2)C1 1785572374 NIHLGDJQRSONBJ-MIVJIENQSA-N 474.558 0.591 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786698609 XWZILCAHIVXWDG-QAETUUGQSA-N 450.536 0.546 30 20 JCED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1787408028 AQXUSCXKGHTKAN-QLIIJSOBSA-N 457.531 0.536 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789296726 SRKVCKLYQITXMU-JVTQKCJESA-N 487.557 0.833 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1)NC(=O)OC(C)(C)C 1789884185 KPVJVEBNNMFXPH-VMXHOPILSA-N 466.579 0.960 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)[C@H]2C1 1792224123 VHNVEWZHDGARNW-VPAKFMSCSA-N 495.573 0.461 30 20 JCED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)cc1 1792477853 QFDWWZKTGBGACJ-WKCHPHFGSA-N 458.584 0.859 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)c1 1792558579 BQONEWKDUSRTTM-HATOLVCRSA-N 468.535 0.803 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)O)C2 1793600137 VGVRDRUSGQGLLD-BASYENTBSA-N 471.576 0.863 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794013601 IVBGOTVEJGWIIW-FZKCQIBNSA-N 461.519 0.093 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)C2 1795598353 SRXPTHNTRCFGSG-UGNRZPKXSA-N 487.626 0.968 30 20 JCED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)C2)C(=O)O 1795645092 BIWGEOMGWFFFSI-BMQTXXJKSA-N 458.515 0.611 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3sc(C)cn3c1=O)C2 1797711628 ZRRALYDJNXTTEM-YALNPMBYSA-N 460.556 0.841 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797840062 VAMAMYWOHUPMJZ-LFAIWOPYSA-N 478.546 0.564 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=C)CN1C(=O)OC(C)(C)C)C2 1797948293 ZHNHJGAQFUKVFC-PKRADWSKSA-N 476.574 0.832 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1799321830 MXOXQTZJWUGZEA-RVDAZCDBSA-N 496.605 0.086 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H]3CCCS3(=O)=O)c2c1 1800394911 ZTUMZIINGGOLRL-LTCOOKNTSA-N 457.512 0.215 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)[C@H](O)C1 1801979094 CNPCRONCWGNTIL-RHQZKXFESA-N 476.574 0.888 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)CC1 1809664758 CJLPCBVVCXNDJG-JTHBVZDNSA-N 483.617 0.533 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1)C2 1812880844 SLLIBNFFTFJOFY-IUKKYPGJSA-N 493.520 0.811 30 20 JCED NC(=O)[C@H](N)CCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819899423 VOCATNOZVCGULW-AGRYQFKWSA-N 452.537 0.177 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)NC(=O)OC(C)(C)C)sc2C1 1823563825 KHHSSRZRBYLFOE-BWACUDIHSA-N 452.533 0.937 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1824491396 QUYQFLJFVLNCDS-AZUAARDMSA-N 453.605 0.375 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829113671 NYWAWDRABUNCBM-XXBNENTESA-N 487.513 0.417 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)[C@@H](N)CN)C3)C2)c1 1829181440 JZOHYUGDKLUKEW-YADARESESA-N 479.541 0.238 30 20 JCED CN1CCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330988 WDZVJSWIZSJOGG-CPJSRVTESA-N 482.537 0.621 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC(=O)NC)C2)C1 1829460510 QKAMEDQBLICSBU-XMMPIXPASA-N 454.527 0.988 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1829956764 SBCAIYWEAVFSJT-HXOBKFHXSA-N 456.499 0.163 30 20 JCED COc1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1830236419 XOZWDELDLUAWJB-DEOSSOPVSA-N 474.558 0.812 30 20 JCED CC(C)(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830629766 NZAYDOJKJJRYGT-AUSIDOKSSA-N 455.515 0.912 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2cnccn2)CCO3)ccc1F 1830966613 DRFDZCCXYXPXSH-QHCPKHFHSA-N 453.474 0.729 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831142942 IRDMJNFLLJVTER-YADARESESA-N 459.543 0.806 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nn(-c4ccccc4)c3O)C2)C1 1831387865 RVSPXFUICIJNKK-CLOONOSVSA-N 482.537 0.995 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1831485492 VPTNPUMMUHQWJN-XHDPSFHLSA-N 460.446 0.752 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)cc1C#N 1831579193 UQFXJPKVPWALSR-CVDCTZTESA-N 472.498 0.524 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1831998225 KVBLDZNEDMDESS-JPYJTQIMSA-N 477.562 0.809 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251275 NSXIGADJNPRVPW-VVGLJFDHSA-N 482.431 0.270 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(OC)nc1)CCO2 1832575090 IQLZTLJGMFDIEZ-MUGCXESLSA-N 472.542 0.338 30 20 JCED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)cccc1=O 1833869127 DPPJWPUCISYULL-RUZDIDTESA-N 464.522 0.960 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1)c1cc(=O)n2[nH]cnc2n1 1834795185 GYNOTBOPUFMLAB-UHFFFAOYSA-N 473.537 0.655 30 20 JCED Cc1ccc(-n2ccnn2)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835345897 JCMWUYXJFCCVGX-HSZRJFAPSA-N 450.499 0.950 30 20 JCED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835628330 JDCMKMBSXMMOGU-QFIPXVFZSA-N 457.462 0.889 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)cc(C(F)(F)F)c1 1835637623 LBFNGHPKOAOUKI-NRFANRHFSA-N 494.474 0.487 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835681447 WZFOGHTXBJUVSR-XMMPIXPASA-N 471.558 0.997 30 20 JCED Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c(-n2nccn2)c1 1836137778 GWIOEHXLOMXZOM-UHFFFAOYSA-N 464.526 0.849 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)c1cc(CO)on1 1836187718 BUZOJMSYGLHUKT-VSIOZEBNSA-N 463.535 0.881 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837490627 JEVADBSZNJPZQF-XMMPIXPASA-N 471.510 0.579 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837529749 XSXXHLALKHYIGR-VDTGVWRYSA-N 472.502 0.328 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1837530259 KEAUJOBYVBAQCB-LPEYTCNWSA-N 461.515 0.920 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1837608086 TZZIMMZUIUVHBJ-JXQFQVJHSA-N 471.558 0.820 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837800021 OMNHFOKFWNEJAR-OAQYLSRUSA-N 470.442 0.339 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2)c1cccs1 1838334630 FHQIWNRAIGTOIA-SIAOZKNOSA-N 457.508 0.891 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)nn1 1838345888 HBKVSFDMUHYGEK-HSZRJFAPSA-N 451.483 0.670 30 20 JCED O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)CN1 1838404457 QMJMPJACOQECRN-GOMWODOQSA-N 450.536 0.650 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4noc(C)n4)C3)C2)c(C#N)c1 1839131403 FUVVSXWYLSHIIU-QHCPKHFHSA-N 469.498 0.500 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc(C)n(C)n4)C3)C2)c(C#N)c1 1839131464 ZPMLSNBSUICNDC-VWLOTQADSA-N 481.553 0.850 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnn4C)C3)C2)c(C#N)c1 1839131493 HTNNCYAJOZOPFS-HSZRJFAPSA-N 453.499 0.613 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(OC)nn4C)C3)C2)c(C#N)c1 1839131741 WKWMUXYJNLSBIZ-DEOSSOPVSA-N 483.525 0.622 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839186086 YVQQRBRCHYLKAU-HXOBKFHXSA-N 482.578 0.568 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839418906 ASVGOOWXIYCEPT-UZQCKINESA-N 456.474 0.626 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839450843 KEXKZTJPDCNHNC-JOCHJYFZSA-N 461.540 0.843 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839540078 IAWZWOINQBZMBT-QHCPKHFHSA-N 456.499 0.914 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C1)CCC2 1839584376 MMXCTYMMPSNLFC-VWLOTQADSA-N 479.537 0.929 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1839654423 YLKSQNQLDHIABR-QFIPXVFZSA-N 482.723 0.978 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)c(O)n1 1839720763 UIEFFDFZBRESQI-QHCPKHFHSA-N 455.515 0.942 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840010771 KGKQLBAAUURYJI-MIOZMULLSA-N 491.585 0.738 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cncc(O)c5)CCO4)C3)c2c1 1840064284 CTUAQYRNOKELRX-QHCPKHFHSA-N 462.466 0.919 30 20 JCED C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840452562 VRPXVUYKAKZHKN-JPYJTQIMSA-N 459.547 0.587 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cnccn1)CCO2 1840486779 WZEQMMYNNXEMQH-JVPDDCAZSA-N 454.527 0.645 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1F 1840772301 LLGZDTWXJLSSCQ-QFIPXVFZSA-N 490.513 0.813 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4ON=C(c5ccccc5)O4)C3)C2)CCC1 1840813857 AGPFTOLEYDBLGT-OFNKIYASSA-N 454.483 0.871 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ncnn1C)C2 1844215207 GXHRDBVHNJTEHQ-OAHLLOKOSA-N 491.549 0.438 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844293950 MESCEKWVEFGVNV-FUHWJXTLSA-N 452.552 0.310 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 24976925 MTKOLDKAAGILNO-SFHVURJKSA-N 469.516 0.706 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 31806625 VWWFLVXZUZPXCJ-UHFFFAOYSA-N 455.446 0.429 30 20 JCED CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 410071757 WABZYUVMXNUPKU-CQSZACIVSA-N 450.542 0.964 30 20 JCED C[C@](C#N)(NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C1CC1 484746474 HJUBQRLLXBUHHV-JOCHJYFZSA-N 477.587 0.764 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2cccc(C)c2)CC1 502053725 RDWFSFAZFRLEAY-UHFFFAOYSA-N 462.579 0.608 30 20 JCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 511533658 JDFKRBGCZDWZAJ-UHFFFAOYSA-N 455.496 0.276 30 20 JCED N#Cc1c(CCCNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)nn(-c2ccccc2)c1N 519898630 HRYHKVNHOCMQGV-GOSISDBHSA-N 465.558 0.556 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(F)c(F)c2)c1=O 523477734 VQNJYIIWDYOYLR-UHFFFAOYSA-N 451.495 0.880 30 20 JCED Cc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3)c2=O)cs1 590964634 MZRISLDHGAOZBK-UHFFFAOYSA-N 481.603 0.615 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCNS(C)(=O)=O 608912673 UOTNXVAGHKWAON-UHFFFAOYSA-N 496.586 0.026 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O 609074498 RQXKOGJFQIPFSL-UHFFFAOYSA-N 468.457 0.569 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CC(=O)N(C)C)c2=O)s1 609416698 DIIKOPUAKVYWRJ-UHFFFAOYSA-N 462.597 0.278 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc3nncn3c2)CC1 725931533 HBYDDAKCLPUBRA-UHFFFAOYSA-N 454.468 0.291 30 20 JCED COc1ccc(OC)c(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn(C)c3)c2=O)c1 726578047 SXNUWPSVJLAMJS-UHFFFAOYSA-N 467.551 0.925 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)N(C)CCC#N)cc2)CC1 728913583 COSCJKAWHFKTAG-OAHLLOKOSA-N 450.517 0.457 30 20 JCED CCc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)c1 839361807 IKEFKRYFOVCWPB-UHFFFAOYSA-N 492.605 0.146 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)c1 914426296 CSJDHSGZSQWBCW-NVXWUHKLSA-N 458.558 0.636 30 20 JCED CC(C)CN1CCO[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1287789667 SMUHPLPWGFRLBH-FUHWJXTLSA-N 453.613 0.985 30 20 JCED CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1517469371 NFLHCWHHCSPCHM-INIZCTEOSA-N 475.575 0.583 30 20 JCED CS[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555842663 WGOCGZSHHGQLAZ-PVAVHDDUSA-N 469.637 0.539 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC(=O)N2CCOCC2)cc1 1555991550 QHHWPSJNCSMLNI-GOSISDBHSA-N 467.530 0.679 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1618310445 WHELXKBMIMKLHL-UHFFFAOYSA-N 452.562 0.379 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1747428050 VQLWCBYWAOUYQC-SFHVURJKSA-N 472.575 0.917 30 20 JCED COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1=O 1749865842 OICGGAFRSRIZGI-GOSISDBHSA-N 481.557 0.925 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CC(=O)N1C 1763089969 REQNDTYTWWFOBH-HNNXBMFYSA-N 458.544 0.423 30 20 JCED O=C1NCCCn2nc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)cc21 1778380068 JEDRFRWLTBWEJR-XMMPIXPASA-N 469.542 0.159 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1778967607 MBCIAABZPIYUCV-DFBJGRDBSA-N 485.585 0.425 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1779175912 DBTFSWGLDQIHNY-BVZFJXPGSA-N 476.537 0.929 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779953249 HJNDTCGXHCFSGH-OAQYLSRUSA-N 460.512 0.709 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337999 WFCXGWHBSCFKOM-HSZRJFAPSA-N 478.546 0.416 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnncc1C(=O)O)C2 1780738609 RWUUEYVUXBBZDP-VGOFRKELSA-N 460.487 0.812 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)CCOC1 1780762372 WLNBJLWEWOAIBJ-AVIJNYRZSA-N 479.530 0.272 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1782275173 AAMXGLZLBARCNV-VXQVSLNISA-N 490.601 0.943 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C=CCN1)C2 1783268592 LTYSPJAIIJAOIS-NRAIQUKZSA-N 460.575 0.945 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(Br)cc3[nH]ncc13)CCO2 1783564865 NXGRCLODPOROBV-IBGZPJMESA-N 461.272 0.857 30 20 JCED CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566011 VFDFAIIKPGODPZ-HXUWFJFHSA-N 467.931 0.828 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)NCc3ccccc3)C[C@@H]21 1784474449 JAFZWWVTXKSRIS-SWUQSOKYSA-N 453.539 0.877 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2)NC(=O)OC(C)(C)C 1785308809 UWTVALOZQIBVHX-VGSWGCGISA-N 462.551 0.968 30 20 JCED CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc(F)c(C#N)c4)C[C@@H]32)CC1 1786730490 LHVLYZXAHWETNQ-RRPUWOKSSA-N 471.577 0.857 30 20 JCED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21)C(=O)O 1786897412 JFHWFCUHNQRCPV-KNTRFNDTSA-N 458.515 0.152 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1788660554 XIHKVQFMSAKJNX-BKARIBLOSA-N 484.513 0.212 30 20 JCED O=C(O)c1cnncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788888637 NFMCKDIOJQQAMU-SNRMKQJTSA-N 456.499 0.467 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]32)c1 1789258862 XYMAYQZVAGEVJN-AGOPTVSRSA-N 487.509 0.655 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C\C(=O)NC4CC4)C[C@@H]32)c(C#N)c1 1789842108 WFPWFHNCAPWTHH-IPOHBYLASA-N 466.538 0.924 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccnn3)[C@H]2C1 1790644089 NNTVPKFBKKDPMH-VMXHOPILSA-N 474.562 0.735 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1 1790847156 XBOWTYBVVKRCBU-VJANTYMQSA-N 466.579 0.962 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCS(C)(=O)=O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791379284 ZXBHQRSPRGCSCH-VJANTYMQSA-N 499.630 0.966 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2 1792489041 AMAWGYIGGSVYAC-RGLMXTERSA-N 482.581 0.335 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCc1ncccc1-3)C2 1792489992 HGNAZJBQUMVLRY-VLTQWEFMSA-N 476.537 0.632 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[S@@](=O)c1ccccc1)C2 1792490396 QXVOIBAPMUIDEB-FFFZYMEFSA-N 459.568 0.631 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793959605 UJIFULJOUORPNU-BBIADKPPSA-N 463.494 0.352 30 20 JCED Cn1nncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1794229970 XJNMRFGKYCLTKH-XOIINTDNSA-N 459.304 0.966 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](COC)NC(C)=O)C3)c(O)n1 1794491316 YJCUIOYNCNRPIB-JSJNYSNDSA-N 460.531 0.260 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(C(=O)OCC)ncn2c1 1795924724 XFBFXCWCOYIJHP-PHXBYCTMSA-N 468.510 0.753 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/O[C@H]3CCCCO3)cnc2c1 1797812213 NXACIDDZLKHEMV-QUFBPKGLSA-N 483.525 0.735 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1799221358 FHUSXQQHIJNGDC-CLWJZODNSA-N 479.578 0.641 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1799363727 DJYHRLHFBHPAQD-NYUBLWNDSA-N 469.579 0.835 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)OCC)CC1 1800366006 MFOSKLKMMLEGLK-MHORFTMASA-N 477.558 0.836 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800525325 DWJPJGUNKFCBOD-IPLXSBJHSA-N 476.574 0.409 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)nn1C)C2 1802124669 DQAVSDAJQIWXDF-YYAJDYIMSA-N 475.546 0.549 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1CCC3)C2 1802128110 OFLMFOGSXBMDKY-WQDJSCAQSA-N 471.558 0.949 30 20 JCED O=C(C#Cc1ccccc1)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806699417 JEIQCJTTZRZILJ-UHFFFAOYSA-N 457.596 1.000 30 20 JCED C[C@H](C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1)n1cnnn1 1810364180 NWJAMGKRBNJFFO-JXYNHIKZSA-N 456.507 0.864 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1814063560 KQVLONAZMFAADB-OYDLWJJNSA-N 479.537 0.689 30 20 JCED O=C1CN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=N/O[C@@H]3CCCCO3)[nH]n2)C(=O)N1 1815668553 XDVGCFSKKIPZHV-OGQSQWDMSA-N 461.479 0.483 30 20 JCED N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@H]4CSCN4C(=O)[C@@H]4CCC(=O)N4)sc3C2)CC1 1824807726 BDHXXSSUGMFABT-KWCYVHTRSA-N 488.595 0.539 30 20 JCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)CC1 1825235026 YQSBLGHTYDOTMK-MAUKXSAKSA-N 456.499 0.700 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1825706663 OQXJWGZQASGDEB-DGCLKSJQSA-N 494.526 0.600 30 20 JCED C=CCC(F)(F)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1829311448 SQTZNWZLJYJQTJ-NRFANRHFSA-N 467.469 0.961 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1829762496 KUYOQHXEESKAAU-VUCTXICCSA-N 488.585 0.092 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@@H](C(=O)OC)C3)C2)C1 1829773064 AAQSTYPAZCQUAF-PWMVXNCRSA-N 477.558 0.281 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1829859260 CITUSVVVRLJXGH-XUZZJYLKSA-N 472.542 0.480 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829881744 NRLCAKCAEVWVGH-DVECYGJZSA-N 478.590 0.455 30 20 JCED Cn1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)n1 1830458835 JCTNGOOTVLRZGJ-DEOSSOPVSA-N 451.527 0.923 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)N1CCN(C)CC1 1830468752 WSJFGCFNTCLCLM-NLFFAJNJSA-N 489.016 0.784 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1830881720 IUUUNVACAWCOLI-MBSDFSHPSA-N 465.547 0.132 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1831398482 CVEWQOXFEVBWRN-UTSGNWPNSA-N 454.527 0.247 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(=O)OC(C)(C)C)C2)C1 1831402552 KDMVNISVCWUTMM-PNCHPQGNSA-N 467.563 0.784 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1831434350 WTGACHSULFRHDR-BSRJHKFKSA-N 460.531 0.247 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831462361 ABNDNRDDMNGQCE-YCRPNKLZSA-N 483.974 0.962 30 20 JCED Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1833841242 HANQIUKRATVMOD-IBGZPJMESA-N 479.419 0.484 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1835099104 ZQHWYGUIVKHSOU-VWLOTQADSA-N 454.571 0.132 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2)c1ccc(O)cc1 1835262197 YCNYAXCVDRGQKU-XXBNENTESA-N 478.567 0.390 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835345891 IQVWJWKTKLTHQK-AOMKIAJQSA-N 466.535 0.022 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CC1CCOCC1)CCO2 1835422319 VMGPTCOMZWZGIV-FGKIGFKSSA-N 453.536 0.789 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)c(C)n2n1 1835677435 RJPSGZGXGFGDSN-HSZRJFAPSA-N 484.561 0.093 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835769234 OGQZTESBSALHSN-RHVVXLNXSA-N 483.566 0.152 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2ccccc2=O)CCO3)cc1 1835992725 OXWZGKDOMKIOID-RUZDIDTESA-N 464.522 0.809 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cncnc4)CCO3)C2)c(C#N)c1 1836053210 XKUHETKOZHHIAB-VWLOTQADSA-N 479.537 0.989 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)COC(=O)C(F)(F)F)CCO4)C3)c2c1 1837319796 HWWRVJAVWQXPTA-FQEVSTJZSA-N 495.414 0.610 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447869 WUTDBBLVELUBEK-FOYIVJAYSA-N 485.585 0.733 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492454 HLZZBQYZHXQKRN-DEOSSOPVSA-N 458.559 0.724 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1837531031 BDHWMFCGMDHILJ-CMEFWWCBSA-N 450.467 0.820 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1)c1ccccc1 1837615821 NKQGCWOZSZUGHZ-ZCVJKFOLSA-N 466.542 0.888 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)/C=C/C(=O)NCc3ccco3)CC2)CC1 1838420154 FMJYAJAZUCGLQA-ONEGZZNKSA-N 457.483 0.539 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccnc6c5OCO6)CCO4)C3)c2c1 1838480416 UKYWALBENJRDBA-XMMPIXPASA-N 490.476 0.942 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)c1 1838581980 YPPKORVSXGSBNI-NRFANRHFSA-N 461.544 0.654 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1Cl 1838599568 LUENLGKYZWEMOP-LJQANCHMSA-N 488.850 0.960 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1839165628 PZKZAFFVRJCCBM-BSRJHKFKSA-N 482.578 0.437 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1839222798 AVUOYBZBYNFLHL-HRAATJIYSA-N 482.559 0.356 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1839225872 WYLVSFRNVHKQBL-QMHKHESXSA-N 473.530 0.926 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C1)CCC2 1839582857 QWKBBLPAJNHYNW-JJDHCWFKSA-N 455.515 0.691 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CC(c4ccccc4)=NN2)CCO3)c1 1839636087 HRMRPZBDVFCHPO-ZJSXRUAMSA-N 462.510 0.723 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)cc1 1839718785 MTKLYDOZNHFQBL-QHCPKHFHSA-N 481.465 0.398 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3ccccn3)NC(=O)OC(C)(C)C)C2)C1 1839806974 JIFUMQKLEFFBKB-NTKDMRAZSA-N 472.542 0.607 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3OC[C@H]4CN(C(=O)OC(C)(C)C)CC[C@H]43)C2)C1 1839810639 KFNLFENQJXMEOA-KYCQWFEFSA-N 491.585 0.738 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O1)CCO2 1840016437 DVIXHVIVWVQQKW-PUFAWVJESA-N 491.585 0.881 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840055235 LYNKAEKARRFILJ-HJPURHCSSA-N 494.545 0.203 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1840108234 HBJMQQJQIHCODA-GSHUGGBRSA-N 493.565 0.160 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)NC(=O)OC(C)(C)C 1840112016 VPJVCNDDRAIKOI-VTJXTGGHSA-N 489.591 0.218 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1)c1ccc(O)cc1 1840219991 RKJFKDMIPCVCBI-FDDCHVKYSA-N 474.583 0.972 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](COC)NC(C)=O)C1 1844387920 ISYXEZPONULGNM-SJORKVTESA-N 450.536 0.258 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1845188752 CJTUWPONKYSPLC-UHFFFAOYSA-N 488.566 0.554 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1846409915 HTSTYKWHXCJUIS-YLNCNTMDSA-N 462.547 0.420 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1847069548 OYWPGVOQKHYGAA-ZWKOTPCHSA-N 479.530 0.601 30 20 JCED CCCn1c(Cn2c(=O)c(C#N)cn(C)c2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 498127334 SRTRCALGUKBTJD-UHFFFAOYSA-N 472.527 0.248 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)cc1 516037935 MPTQCHXCGLXHSD-UHFFFAOYSA-N 476.559 0.333 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c1=O 523090163 CWXPAWCNKJUGSB-HNNXBMFYSA-N 487.578 0.544 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)c(Cl)c1 604270525 WDKYUZNVSQNUFF-UHFFFAOYSA-N 490.969 0.022 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCOCC2(C)C)c1 728411681 NGTFPXUIRNVDIG-HKOYGPOVSA-N 465.576 0.665 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 838957795 MTEMWRAQAQNWPZ-MRXNPFEDSA-N 484.538 0.724 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1=O 917457524 ITXLLHOQWZDLOF-UHFFFAOYSA-N 471.533 0.977 30 20 JCED C=C(Br)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 921130516 NZMJWHNSKCMFBS-UHFFFAOYSA-N 459.366 0.976 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(S(C)(=O)=O)CC2)CC1 1303942706 YTOLALFFOSEFAY-HNNXBMFYSA-N 486.620 0.318 30 20 JCED Cc1nccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1511620530 AJVIWTOASVYLRY-QGZVFWFLSA-N 462.580 0.946 30 20 JCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539595213 UHRWIFGAQSLHCJ-ZDUSSCGKSA-N 481.355 0.989 30 20 JCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1624572938 JIIYGIVCAYORCN-GOSISDBHSA-N 453.540 0.369 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1697023019 CTNNOAUFPGYAPG-INIZCTEOSA-N 475.575 0.688 30 20 JCED C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1751145156 PJMZBRMLSKPYBR-IEBWSBKVSA-N 481.623 0.462 30 20 JCED COC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1769232716 VPQCECZGZBSEFS-NVXWUHKLSA-N 495.581 0.887 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778327415 PRSHPZCDVUYTTB-LEWJYISDSA-N 453.467 0.253 30 20 JCED Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/N2CCCCC2)C3)cn2[nH]cnc(=O)c12 1780018549 DBHCPYYLBMCSHB-OPSPFMKISA-N 483.573 0.930 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)ccc2F)C1 1781103483 GHMMQYQPWYMWKA-TXTKFYIRSA-N 460.506 0.976 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1781270583 QHFOLSCUEJAIFQ-BMOUEYTDSA-N 459.499 0.791 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1781294704 IDYPXCMHPKERQW-HOIFWPIMSA-N 477.566 0.924 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015451 NTOIZSVPWKUSOG-BCMGTOKDSA-N 475.542 0.988 30 20 JCED O=C(COc1cccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1782518837 SVFIEPQSTNWHJE-PTQKAELMSA-N 461.519 0.898 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)c1ccccc1 1782747874 OYCBUOVAIHBASW-YADARESESA-N 455.511 0.557 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1783131838 IPLFPFBQTNMVPQ-LYHRCORUSA-N 457.531 0.044 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1783168169 YVFDXQOTUSBIMM-SAHWJRBASA-N 462.547 0.518 30 20 JCED C[C@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565026 HWDONNQDQXLNPO-IZZNHLLZSA-N 492.532 0.318 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C1CCOCC1 1783566021 VVHXNUVNMJORJT-UUOWRZLLSA-N 493.557 0.614 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784382182 ITOLYVVSWRZEGL-LEAZDLGRSA-N 459.543 0.958 30 20 JCED C[C@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1 1787197867 FMFBNNKUXXBPEA-APYUEPQZSA-N 453.421 0.700 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1787395339 GXMYBWLDJXGDBC-LAQRGFTBSA-N 461.519 0.365 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)[C@@H](O)C1 1788250682 YZSGYLJMLYIUGF-AQBJMCTPSA-N 464.563 0.888 30 20 JCED O=C(COC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788531757 LFGXBSWXLKWJQI-MLNLXKNMSA-N 465.425 0.601 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788706269 UFFJMEJIDMFMHV-QAGGRKNESA-N 459.547 0.148 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21)N1CCN(C)CC1 1789798298 RRHLXYAEWORWQS-PVSGBFIBSA-N 453.587 0.982 30 20 JCED O=C(CNC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1791311567 SDNISMZJQATIHT-JYJNAYRXSA-N 459.465 0.343 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1792256965 NCTTXZGASXTMJS-OVWQWFNUSA-N 473.530 0.280 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@H]1CC(=O)N(C2CCCC2)C1 1793777555 WSJJUSVBRAYNET-JPTOVBLISA-N 476.574 0.896 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(C)C(=O)CC2)C3)c(O)n1 1794488608 MDPDPCBLPRUEKQ-YVWYUNDQSA-N 455.515 0.717 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2)[C@H]1SC(=N)NC1=O 1796422862 RYWHGYGJHPEOHS-GYGOWQKVSA-N 469.567 0.883 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C 1797117515 HXJVKQNLTWBHNH-YCOHNSLCSA-N 467.538 0.962 30 20 JCED CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/O[C@@H]3CCCCO3)cc2C1 1797816373 JTFXRALAJXMRTO-BTCZBEAXSA-N 474.562 0.451 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C/N=C/c3ccco3)ccc21 1797838697 OGUVNLHWVGTKBP-QPWJBTDASA-N 465.510 0.792 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)C1 1799195974 KIPZWXPAGKBLLC-FPQOSCNCSA-N 498.580 0.918 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C)c([N+](=O)[O-])c1 1799328802 PQDNCKYPSANEKZ-GUGIZKONSA-N 456.499 0.894 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1799389495 NDEFVTCQXWKQIH-JCECYMMASA-N 470.567 0.653 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)C2 1800779469 HOWVXGFABCXNIU-DPIQGUFMSA-N 466.244 0.649 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@H](N)C(N)=O)C2)C(C)(C)S 1802181087 LSEHDRSJLBTZBT-CEEVZKBLSA-N 485.651 0.819 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)C1 1804853338 QQIYNWGHTNVZGQ-WAYWQWQTSA-N 480.631 0.748 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)c1 1807049496 ZAPZYFZELKGHGY-RBDMOPTHSA-N 464.526 0.874 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1808270566 FAOPBAIWTIWHMR-LWYYNNOASA-N 472.590 0.939 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808356263 XFKAWDLWTYJLSG-ABSDTBQOSA-N 474.514 0.715 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1810326308 AUNGDJROPSDGDT-NQIIRXRSSA-N 478.486 0.511 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]2c2cccnc2)c(C#N)c1 1812392664 ULNQSHBHGDFYHJ-MBSDFSHPSA-N 493.520 0.753 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812876828 YOZCMAFTUYMPIO-QKLQHJQFSA-N 473.530 0.418 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814980152 WSXVDQIJOLCGAH-HOCLYGCPSA-N 479.559 0.832 30 20 JCED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1815213218 RNURQJYIKHYNKV-HOCLYGCPSA-N 498.544 0.440 30 20 JCED Nc1ncc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)s1 1828988204 ORMMHKZHCIFJFN-QHCPKHFHSA-N 497.533 0.879 30 20 JCED Cn1cc(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)cn1 1829335084 UHLBNTACBVOGCB-RUZDIDTESA-N 493.520 0.503 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1829765981 DISKBDAOABMJDU-IYZQMXKPSA-N 453.499 0.263 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC)c3C)C2)C1 1829773792 VXLOEYYYKFTXLD-RRFNBQSRSA-N 471.554 0.861 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n1 1829903160 KQFKMOVYFPJINY-DEOSSOPVSA-N 467.526 0.714 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)Cc5ccc(C#N)cc5)CCO4)C3)(C1)C2 1829907657 OBDKKXHIISAYHO-DDJHWDJXSA-N 467.522 0.900 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1830297299 XPPOFTLNFIBIFS-HOIFWPIMSA-N 453.536 0.394 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1830880263 JCDKZKOQNVFRHH-JXQFQVJHSA-N 495.573 0.117 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831328881 IBKRATHOKCZPMI-VFNWGFHPSA-N 498.989 0.609 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1831331440 BVUXGTMJGVWENP-OAQYLSRUSA-N 468.959 0.583 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1831407160 PMRDSKXSGVPXBX-FDDCHVKYSA-N 485.578 0.311 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](S)C(C)C)CCO4)c(C)n2n1 1831491059 UJFJTPWFSPSYBG-RXVVDRJESA-N 462.576 0.766 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1832692595 XXNIYLZKQFSXID-JTSKRJEESA-N 478.622 0.092 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccc(Cn3ccnc3)cc1)CCO2 1832754620 UCVXEYUPEVENKO-JOXKVKLASA-N 478.505 0.489 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1833204061 LDVCKSLEOIXOSK-NTKDMRAZSA-N 467.526 0.926 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(-c4ccccn4)nc3)CCO2)C1 1833291656 ILZYCSMOIUBWAZ-RUZDIDTESA-N 493.568 0.890 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnn(-c5cccnc5)c4)CCO3)C2)c1 1833621136 XFFAGGVXKXPJTM-QHCPKHFHSA-N 461.482 0.851 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C(F)(F)C(F)(F)C(=O)O)CC2)CC1 1833660128 DFSZNXBXKWREFF-ARJAWSKDSA-N 492.470 0.772 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn(C)c2)CCO3)c(C#N)c1 1834173748 JCMLAMFEZCQIBP-HSZRJFAPSA-N 453.499 0.613 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCN(C)CC3)CC2)CC1 1834624915 PASVPXGYGYHAHP-QFIPXVFZSA-N 463.667 0.769 30 20 JCED CC(C)(C)OC(=O)N[C@H](C[C@H]1CCOC1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834760322 JLVWPILOBFWTBB-PMAPCBKXSA-N 480.562 0.676 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797391 UHMHMYMCKNKADI-GOSISDBHSA-N 471.562 0.176 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)CC1 1835342071 JKUPLPZPYFKRQM-QHCPKHFHSA-N 451.483 0.539 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)CC2=O)c1 1835350851 DNYSXCZLSUQVME-MHECFPHRSA-N 470.526 0.808 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835705335 GKUQWDGMLFLAHG-UPVQGACJSA-N 465.510 0.488 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1)c1ccc(O)cc1 1835765676 CQKRYAHMGVFCKQ-QYXIYQDXSA-N 487.553 0.408 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836776138 DDAMIQHLGLFPJY-UTKZUKDTSA-N 465.576 0.041 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1837393314 OXVIYVUWXHBDID-JPYJTQIMSA-N 451.564 0.419 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1837393635 XQGBLUJHTDFIFT-NMMYMHLASA-N 460.527 0.856 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837405284 LOKQGUSRVIVPPC-GBXCKJPGSA-N 457.527 0.967 30 20 JCED C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837439580 VKMHAOSMYVKYJX-BQYWRPTCSA-N 472.590 0.920 30 20 JCED O=C(NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)c1cccs1 1837525328 ULLWFHVDQLCIFC-REWVYZQPSA-N 494.570 0.463 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837564413 LXGRKXMKFVHTJZ-DBNSOCDESA-N 452.471 0.740 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1Cl 1838598704 YOABURVIKXXRMO-NRFANRHFSA-N 473.921 0.615 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)c(C)n2n1 1838737405 SKELZLVGTMKHIZ-QFIPXVFZSA-N 464.486 0.325 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)C3)C2)c1 1838740782 UABFEBGSDKMOCK-FXSPECFOSA-N 493.564 0.592 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2 1839139926 ZTRYFQKLGCPUIG-JOCHJYFZSA-N 453.536 0.398 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)cc1 1839363148 LCYBCGCNHTXGPK-DEOSSOPVSA-N 463.494 0.856 30 20 JCED CS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839423750 UJLDOABMMFCIOW-IBGZPJMESA-N 455.920 0.326 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488058 VGKLQXZFUGWKAM-CMJOXMDJSA-N 468.514 0.371 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839518076 KJIDEKSZYGMGJD-KPSNGJBRSA-N 477.518 0.265 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839621942 BMEGPXHOKUVUEC-HYBUGGRVSA-N 475.590 0.362 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H]3CC[C@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1840039849 BDWHAOIPZCMLTI-DSPLJNTKSA-N 461.559 0.969 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219266 GHLOVVDMXJDERO-ZEQRLZLVSA-N 479.574 0.618 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)NC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251533 JKZZBFSJPYOIKE-WVMBUTMQSA-N 494.589 0.533 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)COCCOC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251776 YBCUPAIREMXQCJ-YADARESESA-N 497.589 0.671 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840473963 CYGSGBPSULUYJO-JLHGSKIFSA-N 493.565 0.160 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)cc1C#N 1840763105 IBLYQRHYSQTDIZ-CYFREDJKSA-N 470.526 0.694 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813551 GIQJDGFMXCESJY-LLJLJFOGSA-N 492.573 0.507 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1841604202 DXRMYRVXHCAKSV-SJORKVTESA-N 479.578 0.570 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CC)NC)C1 1843004632 UVMFCUOLKKUCLC-IAGOWNOFSA-N 481.594 0.993 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)C1CCOCC1 1846196401 URJFQVIKFCYJCA-QGZVFWFLSA-N 463.531 0.988 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c1 16559145 VWIXZOCCWYQZTI-UHFFFAOYSA-N 459.436 0.832 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 109040444 FVCSTBZIFISZJQ-UHFFFAOYSA-N 467.507 0.863 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)OC)C1=O 116543590 VULOYBFRVUPRGO-OAHLLOKOSA-N 459.455 0.670 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 501770419 PKJLREBYOSRIJO-UHFFFAOYSA-N 470.507 0.897 30 20 JCED N#Cc1cccc(OC2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)c1 514340701 XADSGJMITIFCEI-UHFFFAOYSA-N 455.559 0.404 30 20 JCED COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 516138534 XHVUDMOWIAIAAX-IBGZPJMESA-N 485.566 0.844 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CCN(C)CC3)c2=O)c1 516832396 WBXGRUGUEVWTMA-UHFFFAOYSA-N 495.649 0.436 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C1CCN(C)CC1 517990545 AMZSVDSPPRWRAE-INIZCTEOSA-N 470.595 0.839 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1CCc1ccccn1 523575266 OLZLAGIGSLKIKY-UHFFFAOYSA-N 495.630 0.560 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)C[C@H](C)O1 608992146 WRPYWHUYCARJBW-ROUUACIJSA-N 491.618 0.603 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(Cl)c1 726961185 GAJWMWHKELHRMU-CYBMUJFWSA-N 487.969 0.949 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCS(C)(=O)=O 729671929 XMLRAIJSTJUBLU-UHFFFAOYSA-N 451.957 0.413 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC2CC2)C1=O 730945188 PHCOIXBOWUAYCJ-QKDOTCOFSA-N 454.574 0.697 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)c1 753818536 SLMQCNULJHWWLF-UHFFFAOYSA-N 462.459 0.427 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 811679377 BUYUOEITEXEOKW-JLTOFOAXSA-N 452.533 0.653 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 916533661 SQWSKGQLQGQWHO-JLTOFOAXSA-N 452.533 0.653 30 20 JCED COc1ccc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1S(=O)(=O)N1CCOCC1 916775108 LUVFIXUYFWYWBT-UHFFFAOYSA-N 479.536 0.848 30 20 JCED CS(=O)(=O)c1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 918817097 HVPJZNDJSKLZTQ-UHFFFAOYSA-N 465.509 0.100 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 919033889 GCOWTYTYYHUUFM-UHFFFAOYSA-N 484.534 0.801 30 20 JCED C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=Cc3nc4c(c(O)nc(=O)n4C)n3C)nc2)C1 920368313 MLUMHPXGZIYAPA-CHWSQXEVSA-N 474.547 0.880 30 20 JCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1185397185 PVUDDJFWNHAFBJ-NSHDSACASA-N 450.336 0.245 30 20 JCED C[C@@H]1CCC[C@@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1291080775 UASLDABBCTVYST-WRWLIDTKSA-N 452.581 0.902 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1360682179 XMJPJJSSDQBNBZ-UGSOOPFHSA-N 470.552 0.782 30 20 JCED N#Cc1cc(F)c(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1Br 1463179449 UYPVNTIOACLBET-UHFFFAOYSA-N 455.331 0.055 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccs2)C1 1519563839 PWWTXCGEPIQQQU-GDBMZVCRSA-N 452.562 0.644 30 20 JCED C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539596387 LUJRWBWWAAPDFA-AWEZNQCLSA-N 466.344 0.764 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1618840748 WUZYYBSOTLHBDB-LJQANCHMSA-N 470.559 0.776 30 20 JCED Cc1cscc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1693334526 KRTXQLRPFZEGPO-HOTGVXAUSA-N 452.562 0.758 30 20 JCED CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1710263647 AQJDSTBBWPHGSB-QUCCMNQESA-N 457.627 0.619 30 20 JCED COCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1730637579 ZJTWEXGBBGPVJJ-VDGAXYAQSA-N 470.596 0.529 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC)CC1 1740745519 WZUHWRJLMVZCHO-CYBMUJFWSA-N 493.384 0.408 30 20 JCED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1=O 1746430121 BGMBEJPGUUTZHZ-UHFFFAOYSA-N 475.575 0.679 30 20 JCED CCOC1CC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)C1 1767696153 MPYNABOVXMFAIA-INOITIFUSA-N 482.607 0.671 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)n4[nH]nnc4n3)C2)c1 1777823708 VSNGHJDLMRVQBB-WZONZLPQSA-N 476.497 0.434 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1777998075 BVNNTXLYEBOIMN-DEOSSOPVSA-N 468.510 0.956 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1778096392 ZOGGICXITOHJCE-VRJXGNDESA-N 474.539 0.553 30 20 JCED O=C(NCCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccc[nH]1 1779099446 HJQKONODZOTNPN-BHSRTUAOSA-N 461.519 0.494 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780200584 DQASLHKTYZNWLE-UZUQRXQVSA-N 471.514 0.695 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)C=CC2=O)C3)ccc1F 1780758388 SNQNTBXINXJICC-NTKDMRAZSA-N 468.485 0.679 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)csc2n(C)c1=O 1780923664 FABPJSLTMGTWQT-HSZRJFAPSA-N 496.549 0.185 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780935024 HNJLQOLFSOVGMV-JXFKEZNVSA-N 452.602 0.676 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781055565 WJNQXPYJZZHHAV-OHUGHZGNSA-N 457.571 0.916 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1781396318 QOQQVPHKZOXDSL-HYFFOGBASA-N 470.567 0.893 30 20 JCED COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783665193 VEDIFBTTZWQSRA-JOCHJYFZSA-N 454.568 0.168 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)CNC(=O)C(F)(F)F)C4)C3)c2c1 1783982404 RDVBQDBQSKPSEG-LJQANCHMSA-N 464.404 0.557 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 1783990417 AHVSHMCAIWSMRD-SEPYTNNBSA-N 498.577 0.657 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C[C@@H]21 1784481205 KCRQQCTVBUWBAY-FKSLSLAPSA-N 495.573 0.461 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784741347 LTYQGPMYXXXJPV-IIBYNOLFSA-N 473.592 0.720 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3nc(C)no3)[C@H]2C1 1787053954 YMIXWYPJMVVEPX-FJIDUMEYSA-N 475.546 0.817 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnn3)[C@H]2C1)C(C)(C)S 1787124806 MXXAZYGJIHVSSR-NBOOPKSLSA-N 496.634 0.860 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(Cc4ccccc4)CCO3)[C@H]2C1 1788199584 HZGHDCNUWJJWFT-SQDZQZBLSA-N 469.582 0.905 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1788632142 DWVXFYUJFSZWQD-BZSNNMDCSA-N 452.515 0.416 30 20 JCED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21)c1ccccc1 1788706550 KLLOBQLEMOXHFR-AQBORDMYSA-N 469.582 0.814 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)COc5ccc(O)nn5)C[C@@H]43)c2c1 1790329832 WSARHHVAKJSEHD-ZVZYQTTQSA-N 477.481 0.602 30 20 JCED CC1(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CN(C(=O)OC(C)(C)C)C1 1791079662 XRQDZEGMGKICIL-ULQDDVLXSA-N 463.531 0.701 30 20 JCED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccccc4C#N)[C@H]3C2)n(C)n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c1cccnc1CS(C)(=O)=O 1794405022 ODOMIJKGEWULTB-OAFZBRQQSA-N 466.560 0.630 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNCP(=O)(O)O 1795967306 PSPCGHPMQZNERA-FZKCQIBNSA-N 472.479 0.266 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O 1796319993 AZKDCJXPMODNKV-MDMSPXHWSA-N 481.594 0.882 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O 1797311144 LNXWHVVPVVMJPA-DGPQGTHCSA-N 463.575 0.997 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O 1797311148 LNXWHVVPVVMJPA-KOXJRLGISA-N 463.575 0.997 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC 1797756514 MDTKGPDXFJICDV-DFGXFYAUSA-N 483.635 0.529 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)CCOC1 1797840090 YEBZEBFHVUGWAG-VTLVOZJLSA-N 490.557 0.972 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc([N+](=O)[O-])c2c1OCO2 1798627766 MBTBWRLOZUQXHU-RCYRTTBSSA-N 473.486 0.998 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c1 1799861570 MJKWZASFMVTCEY-CCLIXHCOSA-N 497.545 0.961 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)c1 1800283888 JGCCXLNWWQPXJS-XEMDLRDOSA-N 451.439 0.532 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C2 1801001941 GGIIZBJSGFBLTR-VYMYIBDJSA-N 464.563 0.524 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1802126076 BGALILKFMBFLNG-WQDJSCAQSA-N 482.541 0.849 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1802484639 XHIBLWHRXCJJPK-RVBASHTNSA-N 452.471 0.461 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CNC(=S)NCC)[C@@H]1c1cccnc1 1802490505 RQIWBCWYQKDBNW-DCTNLQOOSA-N 458.588 0.430 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c1 1804093512 BYQUUTABSAQYOD-IIBYNOLFSA-N 464.457 0.964 30 20 JCED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807943817 KHSNYRDDCGUGLG-KDOFPFPSSA-N 454.516 0.446 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807950531 UODBEKJQJHFGES-CZUORRHYSA-N 458.429 0.739 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810395213 QRYOEZHHIFXMRK-ODKSBWHBSA-N 455.515 0.951 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@H]2c2cccnc2)c1 1811532567 IBXZZWAZZKKIJG-RXVVDRJESA-N 470.555 0.331 30 20 JCED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1811794750 BVGJFCFGBNSMBM-XLIONFOSSA-N 469.465 0.713 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)C[C@H]4NC(=O)NC4=O)[C@H]3c3cccnc3)c2c1 1812069230 UUCAJUCATDSWKZ-KLHJMIIUSA-N 486.492 0.747 30 20 JCED Cn1c(=O)c2c(CC(=O)Nc3cc([C@H]4CCCCN4C(=O)C#CC(=O)O)[nH]n3)csc2n(C)c1=O 1820687255 ZVUDQFWOGKMIRS-CQSZACIVSA-N 498.521 0.345 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC4)c2c1 1823889467 YAGMJHUKZSFWDR-WCQYABFASA-N 466.527 0.710 30 20 JCED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828525235 LZFHBJYLMZZJEU-XMMPIXPASA-N 457.527 0.943 30 20 JCED Cc1ncc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)[nH]1 1829330475 HNRPODPLMRVRLW-DEOSSOPVSA-N 479.493 0.872 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)Cn4cnnn4)C3)C2)CCC1 1829452097 QDCLPMMWPGYQOD-XMMPIXPASA-N 492.540 0.819 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829485500 JLSFQDAEBLFAGJ-MFBSEBAMSA-N 466.447 0.787 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1829760056 PCKPXDMTJGOBRT-YOXWTLATSA-N 464.906 0.369 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C(=O)c4ccccc4OC)C3)CCO2)C1 1830425400 IFSUPCFIRHMQHU-AFMDSPMNSA-N 499.564 0.262 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)CCO2 1830838394 QCTCBNRLWVFIRA-XMMPIXPASA-N 455.511 0.634 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ccc(F)cc1F)CCO2 1831287263 ZAQVTPQETBKTCX-HXUWFJFHSA-N 454.451 0.601 30 20 JCED COCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1831382935 MCQYFKKQYAVXGI-HSZRJFAPSA-N 453.499 0.931 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1831398421 AVYJAUTYLVROBS-ZHRRBRCNSA-N 482.530 0.338 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1831491760 FPHQTWWDYQIAOV-WJPUGNRLSA-N 465.576 0.006 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2csnn2)CCO3)c(C#N)c1 1831754932 MGLOSWMQJCJNSP-OAQYLSRUSA-N 457.512 0.731 30 20 JCED Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831811809 MWDONWNLKKJLHO-DEOSSOPVSA-N 458.559 0.806 30 20 JCED COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1832767691 VMEZXZQYMRAADI-KDYRRFBVSA-N 476.530 0.618 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c(O)n1 1833471396 FHWLYLROUROYFK-XMMPIXPASA-N 484.509 0.689 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1833724232 NBLHMDFHMBAHFS-KSFYIVLOSA-N 461.519 0.396 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834391970 ZQNSQSKFKWQWCE-HXOBKFHXSA-N 477.562 0.960 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834766134 YXGOYCKEGZTIRF-OIMFZILRSA-N 478.546 0.381 30 20 JCED O=C(Cn1cnnn1)NC1CCN(C2CCN(C(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1834873573 LXTFBVJHIVMZIN-UHFFFAOYSA-N 455.950 0.950 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835145681 HKMHPPVHBAZKAF-HYBUGGRVSA-N 494.610 0.880 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1 1835183801 HYSPGJMGWUTKGW-QFIPXVFZSA-N 463.556 0.775 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1 1835410583 HAQZNGQVHAVYAX-HSZRJFAPSA-N 456.499 0.259 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCNC)CCO2)C1 1835668268 YPTMHPINYRRAID-WZONZLPQSA-N 466.579 0.359 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836075666 YTWKWNVDPBRBEY-UZUQRXQVSA-N 491.545 0.294 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837159703 BOYHYSSNJNPEMN-ALUBYUQESA-N 471.514 0.933 30 20 JCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1837446741 ODGBAEGARVVUGW-BMZXHMDVSA-N 478.590 0.894 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(NC(C)=O)o1)CCO2 1837448621 PDPANFVRPUIBPL-YXSMGJEKSA-N 460.487 0.166 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837466617 FWIBEFXFJPRQSG-OAQYLSRUSA-N 463.535 0.251 30 20 JCED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837527456 NRBQLGHYMDHTFD-KKRXVXNVSA-N 463.491 0.084 30 20 JCED O=C1COc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cc2N1 1837562699 CGFUJPVVFWLTKL-PLPMJULLSA-N 482.493 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c3ccc(OC)nc13)CCO2 1838486091 JOGYIDSHNIOLLP-RULWIFSWSA-N 483.525 0.500 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(N5CCOCC5)cn4)C3)C2)c1 1838732253 KACHWFNGWYULDH-XMMPIXPASA-N 480.525 0.502 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]nc4C)C3)C2)c(C#N)c1 1839132482 HTSARDMPUKDUEE-HSZRJFAPSA-N 453.499 0.911 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3C)C2)C1 1839175965 NUQQLBVFLUTTLX-QHCPKHFHSA-N 462.547 0.938 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn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c1ccccn1)CCO2 1840422234 RVRQHCBXTRLELL-QDFBPKLPSA-N 458.515 0.164 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c1 1840551336 VZQLJGUOPRJBJF-JTSKRJEESA-N 463.556 0.818 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1840714811 HZVOZTOVXWDHMR-VOIUYBSRSA-N 478.509 0.586 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1840845244 QDRAVTLEEMUQLF-JPYJTQIMSA-N 481.546 0.313 30 20 JCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)Cn3cc(C)c(O)nc3=O)C2)c(O)n1 1846968209 KTGKHSVZLRTBLX-UHFFFAOYSA-N 453.499 0.994 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848215080 TVMWPKOPRFBJDP-SNRMKQJTSA-N 454.527 0.893 30 20 JCED CC(C)C(=O)NC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 502068755 OMXOVJJSJOAOSQ-UHFFFAOYSA-N 461.588 0.628 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(C)C)C1=O 512500640 YQRUDRGFQDRVFU-UHFFFAOYSA-N 465.532 0.698 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 515923866 MADUCWDJUMLBAQ-UHFFFAOYSA-N 489.619 0.934 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)(C)CN(C)C)c2=O)cc1 524281443 XODZDCMBTQOWJC-UHFFFAOYSA-N 484.622 0.868 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccccc2)c1=O 589161295 UCALJQFVYFRUMP-UHFFFAOYSA-N 497.554 0.574 30 20 JCED N#Cc1cc(NC(=O)C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OCC(F)(F)F 603721217 ZINLISNYDMFQCG-ZDUSSCGKSA-N 476.433 0.247 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608826679 HTLSTXIKQFCUCQ-UHFFFAOYSA-N 496.520 0.411 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCNS(C)(=O)=O 727163771 IBXGHRUFYJTIKC-UHFFFAOYSA-N 479.628 0.529 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCc2cccnc2)c1=O 727813881 GZKBKGGRIAXPGC-UHFFFAOYSA-N 450.568 0.926 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 729671923 XINWTMFEWDDGCL-UHFFFAOYSA-N 481.546 0.794 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CCOC 746483782 MRTLGDUJHSRSBH-UHFFFAOYSA-N 463.581 0.552 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)c1 753659880 XDIXMBLNMLVMOY-UHFFFAOYSA-N 473.507 0.861 30 20 JCED CN(C)S(=O)(=O)c1ccc(OCCOC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 761128625 DNVNZOVDIWNXCI-UHFFFAOYSA-N 481.552 0.988 30 20 JCED CCOC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918288174 HBYFMSDRNRRHGU-OQKWZONESA-N 465.532 0.739 30 20 JCED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 918774452 DNHPWQHCUHYXCS-WIYYLYMNSA-N 463.556 0.836 30 20 JCED CCc1nn(C)c(CC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1306046013 PBLRGZIMPMIXPH-UONOGXRCSA-N 450.569 0.524 30 20 JCED CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCN1CCOC 1306405934 IHINMJMMUSFGSP-NZQKXSOJSA-N 488.614 0.913 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)CC2)cc1 1321440243 LLFXQXGHTQQLCV-OAQYLSRUSA-N 473.599 0.900 30 20 JCED Cn1c(=O)[nH]c(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(C#N)c1=O 1472638222 YWRKZFLBIPGPGZ-UHFFFAOYSA-N 454.306 0.219 30 20 JCED CO[C@@H]1COCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1504528117 KJQAXQWCDAMAEQ-RCCFBDPRSA-N 468.580 0.402 30 20 JCED CS(=O)(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1505134731 WOEGBHOKLKWYJG-UHFFFAOYSA-N 472.575 0.428 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 1508274583 QCLVSFJOKGEPAC-IBGZPJMESA-N 494.600 0.950 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1555811871 RBWRFIIPLNUZDO-UHFFFAOYSA-N 473.559 0.337 30 20 JCED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1612654270 SAMOZVUUYWBGSR-HNNXBMFYSA-N 458.544 0.423 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)cc2F)C1 1620171815 LJZNPUXVJFUJOG-RDJZCZTQSA-N 468.486 0.666 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(Cn2ccnc2)c1 1692805564 UXTOAVQDBFAIOT-QFBILLFUSA-N 470.559 0.910 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cn[nH]c2)CC1 1697712809 YITAMADULRSQKW-UHFFFAOYSA-N 450.503 0.990 30 20 JCED C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCOCC1 1706809589 PTDGXRNUCURLLH-SFHVURJKSA-N 489.602 0.531 30 20 JCED CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1747529773 RXILGLSZDNLXRQ-UHFFFAOYSA-N 494.600 0.666 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS(=O)(=O)C1 1751096360 QCNQWNHIZXVNSJ-OWCLPIDISA-N 474.609 0.174 30 20 JCED CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1763369383 ZNRREPTWEXONMW-XMMPIXPASA-N 467.574 0.959 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1778235683 CCMJHHHZIUFLQN-YIPDWCHPSA-N 476.574 0.932 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1778957957 NLNPFRAWKRMXFP-FPTDNZKUSA-N 453.503 0.586 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779103512 WETJEDOKMJAKSV-NBAIGBRFSA-N 452.508 0.874 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc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c3ccc(N4C(=O)C=CC4=O)cc3)C[C@@H]21 1783535177 BAHYBABYNXBMGR-VMCVYSOCSA-N 492.532 0.568 30 20 JCED C[C@@]1(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCN(C(=O)OCc2ccccc2)C1 1783567782 ZKJBTCJVMQJZHW-RPBOFIJWSA-N 483.521 0.953 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783605554 YQRPHOFDTJBDJF-IWFBPKFRSA-N 472.542 0.924 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783605631 WZABCOBBTIXYNR-CJFIXGCPSA-N 476.537 0.689 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)[C@H]2C1 1785187912 ULLMIQAANQPRPW-LAQRGFTBSA-N 459.524 0.164 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)C1 1786693121 CCYOXEAKUKGZFU-XSLAGTTESA-N 462.547 0.906 30 20 JCED Cn1c(=O)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)c2ccccc21 1788139832 UTASOPPTETULMG-GFBWYYAUSA-N 499.568 0.849 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788639407 BFDQVAHBRPRLQU-LTFXXXRZSA-N 454.520 0.034 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C[C@@H]21 1789892362 VJWFZAQVBUEXPR-CUWPLCDZSA-N 473.574 0.821 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1789955462 KNYFMIZFUOAHBW-LGFJLYTPSA-N 453.565 0.569 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790228620 XBOOPHXIXMKXMK-VHHKXPHXSA-N 482.516 0.761 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1 1790855365 QMRHYLMCXDIRBD-QAETUUGQSA-N 450.536 0.148 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)C2)C1 1791077942 NSTHKKYZZGHVTA-SZMVWBNQSA-N 475.542 0.701 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380026 LZHNJIYJVRPVJF-VMXHOPILSA-N 493.605 0.125 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793262794 OMTPBJAUNLCGSH-DMUMMCEESA-N 491.589 0.331 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)c(O)n1 1794493398 KLJTZKSTIDPHFB-HBCWATKFSA-N 490.607 0.969 30 20 JCED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797104949 JUQKKYUQEYPMHH-ZXFNITATSA-N 450.499 0.986 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H](O)C2)CC1 1797150306 SBMJGSBCYHCWIM-ZMGNVYRQSA-N 476.574 0.888 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)cc1C#N 1797626689 DQURCWJBWZAQKG-UPHUGPLXSA-N 467.530 0.882 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)CCOC1 1797744365 GCNJCBQHUUYFGL-VSLMROLDSA-N 493.605 0.732 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1cc(=O)nc2sccn12 1798415285 YCUCCYIRYDJTSL-UWBSXTGSSA-N 455.496 0.671 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CNC(=N)N)C3)CC1 1800029745 YEYCMVURIFPCGK-MUJYYYPQSA-N 461.567 0.649 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801440256 XWBDTCOIMWAMOY-JCECYMMASA-N 477.566 0.683 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2)NC(=O)OC(C)(C)C 1801928821 VMNHLKVKEIRCAB-GFAJBQDWSA-N 466.579 0.947 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988035 WNAFCGNWKHDREC-AYQMHNFFSA-N 469.560 0.375 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)c2C1 1801989833 ITTCAAPUJWIJMC-MUJYYYPQSA-N 471.514 0.974 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1802125745 QOOBEEIMJLQQGU-FQLMCAECSA-N 491.463 0.598 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CNC(=O)c2ccco2)[C@@H]1c1cccnc1 1807585772 NRXLRJKCAVCNHB-QDFBPKLPSA-N 465.510 0.969 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1808465255 YHHZUTPNMDONMP-HTAPYJJXSA-N 454.483 0.522 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC2(CCCN(C(=O)C(C)(C)NCCC#N)C2)CC1 1809771266 RSHFRLMIRCKTPV-QGZVFWFLSA-N 455.625 0.827 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1)[C@@H](O)N1CCOCC1 1810354028 MYIZVZBMBIFSCB-JUUCDRHKSA-N 475.546 0.267 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1810489784 OACYIFKYPPGXOM-UTKZUKDTSA-N 451.483 0.476 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)c1 1814807856 JMISDXRQWITPKG-ZFWWWQNUSA-N 456.528 0.842 30 20 JCED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)[nH]n1)c1cc(=O)n2[nH]nnc2n1 1817814461 UJWOJMKBHQNLMQ-KRWDZBQOSA-N 457.454 0.893 30 20 JCED CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(C#N)ccc3F)sc2C1)C(=O)C(=O)O 1823669489 KWIZUWFRCJTFGW-LLVKDONJSA-N 459.459 0.923 30 20 JCED C=C1CC(C(=O)N2CC[C@]3(CN(C(=O)CNC(=N)N)CCN3C(=O)OCc3ccccc3)C2)C1 1828969381 CNCUFBGFZSQYFJ-DEOSSOPVSA-N 468.558 0.888 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCN2C(=O)OCc1ccccc1 1829113488 KOUHRWJFGVPRLP-CVDCTZTESA-N 472.498 0.136 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1829260504 RATKKARAQXACCS-FDDCHVKYSA-N 490.582 0.400 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310493 ZMBJNTNORZWSIL-WZONZLPQSA-N 453.499 0.488 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)ccc3F)C2)C1 1829773307 GFBHOJDVCWOLEB-KSEXMQBYSA-N 461.490 0.763 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)cc1 1829898861 KMXVEIPNLHCKLZ-JOCHJYFZSA-N 468.470 0.362 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1831403205 ZCHCJGCJZALFIH-XPVDNZQDSA-N 460.483 0.311 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831448827 GZWCDHQWBGLJKH-VGSWGCGISA-N 463.556 0.238 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1831997527 BPPWWDOFVJQXRV-HKARXFIJSA-N 482.578 0.424 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1831998813 LWEMRQOEAXQWAJ-GSHUGGBRSA-N 455.552 0.683 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc4sccc4c3=O)CCO2)C1 1832891458 MDUYKDJDEPYBBG-UZUQRXQVSA-N 473.551 0.558 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834229556 AIYJNRSEALANIC-UZUQRXQVSA-N 477.562 0.960 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)cco2)CCO3)ccc1F 1834606325 UTAYHGCIOFHTJQ-HSZRJFAPSA-N 455.442 0.963 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)Nc3ccc(Br)cn3)C2)C1 1834755723 ADJSPPBWXJXWEJ-FQEVSTJZSA-N 494.346 0.933 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)C[C@H]1CO2 1834766076 VESIBBDWNITWNW-USCONSEESA-N 464.519 0.135 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1834773421 OPNNGFPYYCXKCV-NVIZVJJSSA-N 457.483 0.756 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4sc(N)nc4c3)CCO2)C1 1835783268 AQLDMYMJYFXIRJ-QRQCRPRQSA-N 458.540 0.987 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835849855 LMNILOSQHCGTAF-OYHNWAKOSA-N 479.534 0.655 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1836770140 STRNMEIILGODFN-OWAUWMPXSA-N 493.601 0.864 30 20 JCED CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(C)C 1837216901 IZEBPLUSWVHYNV-PGRDOPGGSA-N 452.552 0.312 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1837403917 WEQYBLRKYCFCBD-HOYKHHGWSA-N 457.527 0.824 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1837431607 XEKWFHAYRAPWKZ-JOCHJYFZSA-N 460.607 0.891 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443499 CQMMGYZHUDXTOQ-OGPLKVJOSA-N 451.568 0.219 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1837531738 VNMUWSQHSYBLFM-WIPYJQQXSA-N 468.457 0.959 30 20 JCED Cc1cc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1837555207 GASVKFQVCRVYLH-WELCAWPPSA-N 462.503 0.982 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c(C#N)c1 1837948776 IBSMUTNICWPDNH-XMMPIXPASA-N 495.492 0.368 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838478054 ZAAKPDKINDIKTI-IWPBPTMCSA-N 476.486 0.409 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)c1 1838534376 OBIBQEZLCDZMLY-AVRDEDQJSA-N 456.543 0.902 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1839173697 GVBLMSLCYDZNPR-OAQYLSRUSA-N 464.544 0.995 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(O)c1OC 1839376602 HUPUSCQGKVAGPS-DEOSSOPVSA-N 490.557 0.761 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)c1 1839420463 KNVPNJVSAUHAAA-HSZRJFAPSA-N 454.458 0.629 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839422936 SKIQGSXYSMWAML-HXUWFJFHSA-N 469.947 0.716 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839436726 KOQXEHJHXXTGAE-CZYGPWSVSA-N 498.540 0.866 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)cc3Cl)C2)C1 1840043475 ATPAMJZTLOTTGQ-QFIPXVFZSA-N 472.885 0.684 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)CCO2 1840073163 JOGYNGQSDQIAOR-RZPFDVGOSA-N 499.564 0.628 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCO2 1840770918 SJKVYAPUPKELFU-VWLOTQADSA-N 463.490 0.599 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C(=O)OCC)CC3)CCO2)C1 1840816905 VWZDTPWRKIDTKJ-JPYJTQIMSA-N 467.563 0.902 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1840818186 PKZQXAZEQPUSIT-GGAORHGYSA-N 455.467 0.720 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840818445 CFJHGRUIQRMSRA-JOCHJYFZSA-N 484.469 0.198 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1840912753 PAEXZASGHQSINS-SMGXNKOPSA-N 494.589 0.424 30 20 JCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)Cn2cc(C)c(O)nc2=O)C3)c(C#N)c1 1845140258 YBICRCMFHITYQE-UHFFFAOYSA-N 451.483 0.584 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1847083683 FURVHXKJTXRYQS-VOIUYBSRSA-N 487.557 0.930 30 20 JCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)cc1 518723102 BKSHVACHHWLKMB-UHFFFAOYSA-N 482.606 0.937 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)c(F)c1 522501418 ATBPTRPLPDAXNC-UHFFFAOYSA-N 451.462 0.316 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 590897403 QUTIUINUXDVQEC-UHFFFAOYSA-N 471.535 0.879 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCN3CCC[C@H]3C(N)=O)nnc12 593893206 GANKPUFKIWLWAM-KRWDZBQOSA-N 469.571 0.778 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 603989147 SAYWRDORXLLTCW-UHFFFAOYSA-N 452.580 0.922 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 604270268 KFRMRIVTXBXFLC-UHFFFAOYSA-N 488.953 0.204 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccc(OC)nc1 608884536 VSABCGGSZOCMTE-UHFFFAOYSA-N 476.514 0.879 30 20 JCED CCCOc1c(Cl)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc1OC 608911424 DBWNCVVQPYMROB-UHFFFAOYSA-N 490.969 0.628 30 20 JCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCc2cnn(C)c2)C1=O 726738324 UKFODIQSTHPQST-HLGQQVFSSA-N 478.600 0.636 30 20 JCED CC(C)[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 727010058 KQXDCVOLQBQVNB-HXUWFJFHSA-N 450.499 0.995 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 750001988 ZJBLZWLDSCWFFY-UHFFFAOYSA-N 480.543 0.849 30 20 JCED CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCN(c2ncccn2)CC1 913173915 RXXOXFJACLSRDB-HXUWFJFHSA-N 486.554 0.543 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)CC2)o1 915385482 BFIWGJRXHFLAGB-UHFFFAOYSA-N 491.501 0.940 30 20 JCED CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1295250644 RNJDNKHOYKURMK-LAUBAEHRSA-N 461.544 0.894 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCS(=O)(=O)NC)CCOC1 1296673026 TWPDODMOWGSUOI-DENIHFKCSA-N 490.586 0.929 30 20 JCED CNC(=O)c1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c1 1299051603 PJWFBCWTMCGNMH-LPHOPBHVSA-N 489.602 0.952 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 1314923568 MEXMLOKYIGCJFL-CVDCTZTESA-N 487.630 0.991 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516827195 QUEOZLCVLBVLCX-QGZVFWFLSA-N 459.580 0.583 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1517628231 NZJOLGRLMAPGQA-UHFFFAOYSA-N 457.560 0.815 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1541678960 NBHXRTCVNSOWII-MRXNPFEDSA-N 461.548 0.444 30 20 JCED COC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)OC 1712156727 GHNFEFNQAZOVPD-HZPDHXFCSA-N 456.569 0.402 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1761481716 TVULTQISBSWVFV-HOCLYGCPSA-N 458.610 0.986 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778790271 PEJCIOACVFTVMI-MCFFVMPBSA-N 484.550 0.350 30 20 JCED COc1nccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1NC(=O)OC(C)(C)C 1779774629 MJYNMCKLRGHUEI-QHCPKHFHSA-N 488.497 0.969 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779953953 ODRYPUXXBJGOKC-HWIIHTTPSA-N 475.527 0.729 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3sccn23)C1 1779987763 QIHSBYQKRIWLPY-VCWLXYSBSA-N 485.566 0.742 30 20 JCED COc1c(Br)cccc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781578417 RNGIYOHCKFWETM-LJQANCHMSA-N 451.273 0.989 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)ON=C(C)C)C2 1782468690 CUXUGSLHIMWSHZ-UGTJMOTHSA-N 476.578 0.772 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783284953 OVQHEGVEZTWSAX-XCGNWRKASA-N 467.567 0.638 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1783769220 OOKIILLSBXTZPA-GEYWLOKFSA-N 452.552 0.009 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1)NC(=O)OC(C)(C)C 1783898703 VODZWDIOCIGGFF-ARGWCVDVSA-N 459.565 0.591 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784111869 CCHLMVGQQOGPKJ-MWTRTKDXSA-N 476.530 0.211 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1784494601 VCARPMRRBNPCHE-WDSOQIARSA-N 476.599 0.854 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)O4)[C@H]3C2)c(C(F)(F)F)n1 1784574950 IBHQTEGTLVWEPI-HJPIBITLSA-N 467.404 0.674 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787511846 BVSUJHLVRGXGQP-OHRYNRGMSA-N 492.550 0.962 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1788564570 PFYNXKLSLJHEEE-CJCBUOBESA-N 467.530 0.735 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1788661451 SJKWALRZACEWTB-YPEIWVSOSA-N 452.537 0.406 30 20 JCED CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1788743455 WQXPLNIIUVWESY-BHAAJTQZSA-N 452.552 0.800 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1789838782 SMOJAHVCHPTVPA-DWRORGKVSA-N 489.573 0.539 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O)NC(=O)OC(C)(C)C 1793165739 RWWPFDAJZLAZRX-AXVVYFOYSA-N 480.562 0.888 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1793353872 HJDZDLPSLIHZJP-RFXPCRSYSA-N 465.547 0.746 30 20 JCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794506425 AXPJEQLCQBPYID-CWPLJXCYSA-N 477.512 0.823 30 20 JCED CCn1nnc2c1[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)CC#N)CN(C(=O)OC(C)(C)C)C2 1795078930 QESKNOGUZHAKFG-YYAJDYIMSA-N 487.561 0.636 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)cc1 1795323795 VSBKNCNXWKIJDV-UPHUGPLXSA-N 456.524 0.872 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)N2)C3)c(C(F)(F)F)n1 1795994924 LMWDOJCDFBLONZ-VAECKANCSA-N 451.405 0.454 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)[C@@H]1SC(=N)NC1=O 1796422812 DRQKMWLILYDZIW-WEJLYVTOSA-N 476.580 0.879 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)[C@@H]1SC(=N)NC1=O 1796424945 AJRBYYNQNSKRQN-VGUPNMIISA-N 481.538 0.440 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1797786211 RZCQLWNJHNHAQF-IIZPIQPGSA-N 457.483 0.185 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccnnc2O)c(C(F)(F)F)n1 1798383078 UTHKKJZJKYJBEK-QHBPRCKVSA-N 462.388 0.985 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798415957 WJGGBZSAVCHCHS-VPTLXERWSA-N 479.518 0.910 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCNC(=O)C2)c(C(F)(F)F)n1 1801065554 PLFOGZSMVSJESD-JRATXPSKSA-N 465.432 0.701 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801734404 QPHIJWHPNUCAQD-PLACYPQZSA-N 494.633 0.608 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)cc1 1807019760 XRAKOVMYZXXZFR-DENIHFKCSA-N 471.454 0.927 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1808848532 CYUWCWABASKSHG-QIIPPGSGSA-N 467.490 0.328 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810566251 QOODIQFYIYJAPI-WTWCHMMPSA-N 458.563 0.710 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1811187283 MFKXNBVEBQSPOP-HKJXJVSNSA-N 464.530 0.762 30 20 JCED N#Cc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)CNCP(=O)(O)O)sc3C2)cc1 1814762273 MQFLGSGFJCTDDL-AWEZNQCLSA-N 463.456 0.894 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819451117 LBXIXGXEHVAEMA-XHKYHXRZSA-N 461.479 0.483 30 20 JCED CN[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1)C(=O)O 1828572288 NZAAIMHAXUVLKI-LVXARBLLSA-N 496.564 0.915 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCNC3=N)C2)C1 1829352470 ILHHKSOXPISORL-DEOSSOPVSA-N 468.558 0.855 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1829771042 BWWMYSMYMLHVEB-POUSAUBHSA-N 480.525 0.196 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1829859769 JYWKFPHONPAAPT-NFBKMPQASA-N 460.506 0.611 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1830347162 WBFIYBHVLYVKBR-RUZDIDTESA-N 472.538 0.926 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CCO2 1830886959 PQPFSJQHIRCJOR-DEOSSOPVSA-N 497.589 0.414 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Br)c3)C2)C1 1831395944 CLCMDBWNENSLEK-QRWLVFNGSA-N 466.332 0.952 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1831493062 PXYLSKAUCUIMAZ-JLHGSKIFSA-N 489.635 0.673 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1831493753 VGLAQGKPXHMBNT-CVDCTZTESA-N 480.583 0.860 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)COC)CCO2 1831638974 ITNUMWODVIROFO-IEGUWTFLSA-N 467.563 0.642 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1831998876 USRUONZTCUEMSC-AOMKIAJQSA-N 463.535 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCN3CCN(C)CC3)CC2)CC1 1833075892 FFQQOCGSQAPUHD-PLNGDYQASA-N 474.650 0.054 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](S)C(C)C)CC2)CC1 1833488433 DNHAOEIZJFIBJM-QAPCUYQASA-N 462.682 0.840 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1833611143 GFFRONQEJCTWMJ-HBMCJLEFSA-N 493.649 0.750 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(C)cc1)CCO2 1835157114 GOGSKTXJTGZQSE-HMLKYZKVSA-N 457.527 0.689 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835349725 SUCUFOIYSCHORL-MBSDFSHPSA-N 478.567 0.127 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1835673863 ABZSRKMCLRCWNF-HSZRJFAPSA-N 459.547 0.905 30 20 JCED CN1CCN(CC(=O)N2CCC(N3CCC(NC(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)CC1 1835769685 ZFRWPNDWZQXMBP-HWEDYNCSSA-N 478.638 0.334 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1836033978 LJBGUEAWTBYILN-KMEFSVQMSA-N 464.494 0.749 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836174519 HZZLPTKXTGDHFD-FDDCHVKYSA-N 475.546 0.256 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)cc1 1836257391 BEVPDDUVMHGGAP-JOCHJYFZSA-N 485.522 0.094 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837428955 OBTKHTDZPHVAGZ-GCJKJVERSA-N 466.655 0.941 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1)c1ccccc1 1837616171 ATWCVQKDJAGFHU-QPPBQGQZSA-N 451.527 0.932 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1ccccc1=O 1837687193 SJULANLWMJYQEN-JGFRAARKSA-N 459.547 0.337 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Br)cnc1Cl)CCO2 1837791456 KYKHXLPHZNKDOL-SFHVURJKSA-N 486.706 0.656 30 20 JCED CCCC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1C 1838541504 NSPQQZIMODXVGO-DEOSSOPVSA-N 471.510 0.892 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(-n5cncn5)c4)C3)C2)c1 1838740668 QCCMTYGYKBEOIZ-HSZRJFAPSA-N 461.482 0.851 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1839166062 FFAGNOSIAYIIBB-DRSNIGMVSA-N 468.551 0.047 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1839174046 CATQLONENMGYRR-HSZRJFAPSA-N 460.531 0.727 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)ccc1F 1839187647 ORBYUQKTBQWAKR-HSZRJFAPSA-N 454.458 0.643 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(S(=O)(=O)CC)ccc1OCC1CC1)CCO2 1839397989 WLQPVESEURYGEQ-DEOSSOPVSA-N 490.578 0.972 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839621247 LFWWBOCFANUKCZ-MBSDFSHPSA-N 461.563 0.380 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1)c1ccccc1 1839870409 LQJDAFHZVKVBHT-STWLZBDKSA-N 453.539 0.776 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)C1 1840044666 QIVZYMATDHJBPE-NRFANRHFSA-N 473.463 0.968 30 20 JCED C[C@@H]1[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCN1C(=O)OC(C)(C)C 1840045033 MWVPLIMZAUVTDT-SEPYTNNBSA-N 479.530 0.176 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840162646 CVVDNIIWTYZTNV-AUSJPIAWSA-N 461.581 0.037 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251424 CRIXMVRXJVNRMI-SBUREZEXSA-N 491.545 0.751 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819712 AWYFQFYAHMVYEA-KCEHZKJRSA-N 463.556 0.552 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncn3)C2)C1 1840908659 FTDQSIPMUPJPOU-FDDCHVKYSA-N 473.530 0.463 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(C(=O)OC)cc3)CCO2)C1 1840958703 VTJIVCHWHMUTJJ-NBGIEHNGSA-N 490.553 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1841053182 XKKFYJGVDFHBQX-XWAIPHQWSA-N 496.630 0.710 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 1845228779 KHYKQSIQHFNMSC-XITLMJRVSA-N 450.536 0.324 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC(=O)NC)C2 1846365597 GABBRAPFBZDDKF-HNNXBMFYSA-N 481.550 0.131 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c1=O 500493192 SHYLSKMXFWNSQU-UHFFFAOYSA-N 470.507 0.765 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O 524121824 IKNJJDCCJRHIMC-UHFFFAOYSA-N 473.498 0.604 30 20 JCED COc1ccc(CCn2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccn3)c2=O)cc1 603793814 AUMOBAWFOIYZMA-UHFFFAOYSA-N 476.558 0.918 30 20 JCED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(N)=O 608911213 SFZHMLVOUVEQLH-UHFFFAOYSA-N 482.905 0.919 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1=O 726043596 WNGXOUZEMUATRC-HNNXBMFYSA-N 457.439 0.641 30 20 JCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cccc(I)c2)CC1 728570396 BYXVHOZTVJGTQT-AWEZNQCLSA-N 454.312 0.985 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)cc2F)c1=O 729671906 WYTBDTABSIISCT-UHFFFAOYSA-N 453.492 0.014 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 899892919 QWKCSCBJUIRFIP-AWEZNQCLSA-N 481.527 0.802 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CCOC 916198257 IGIAPBWWBHSDFJ-UHFFFAOYSA-N 466.357 0.584 30 20 JCED COc1cc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCC(N)=O 917253936 HEAPBYNLKKXXQN-UHFFFAOYSA-N 460.512 0.694 30 20 JCED C#Cc1cccc(NC(=O)CNS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)c1 917924006 LBCQSPMVFASYTM-UHFFFAOYSA-N 453.517 0.986 30 20 JCED CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1295960988 XKBLJBSSHNQRGB-UHFFFAOYSA-N 455.548 0.994 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCOCC2)C1 1316356938 PJZSRAIAZKPWKG-KRWDZBQOSA-N 468.580 0.283 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1518656640 UJIKNRSRHASUCM-UHFFFAOYSA-N 483.529 0.866 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1519164714 KZPWMBUUZAKQQX-HOTGVXAUSA-N 458.610 0.731 30 20 JCED Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)n(C)n1 1543001624 XGQCJCKNPLRFDW-UHFFFAOYSA-N 470.559 0.901 30 20 JCED CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1727357503 XIUXDEDELBYOJE-DLBZAZTESA-N 468.580 0.547 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2)C1 1750211715 RVHIXUAUCRGOSV-MSOLQXFVSA-N 467.596 0.216 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1 1760308176 ZFKBLPQQCPHKLF-CQSZACIVSA-N 474.385 0.890 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C3)C2)c(C#N)c1 1779071317 FORKCMQRLUVQJA-XUZZJYLKSA-N 487.509 0.434 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2)c1ccccc1 1779184485 DGHYWTCKSCAZRS-UMXIMWEHSA-N 455.555 0.664 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171408 WROFDWNOCFTJPV-JOCHJYFZSA-N 461.540 0.845 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781426012 PHEQVCPTDMYZER-URZJWIJPSA-N 460.535 0.577 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(I)c3)C2)C1 1781520214 FOYKZGLUBSSFSL-GOSISDBHSA-N 468.247 0.823 30 20 JCED CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017417 JKWXUGXGZFCHHQ-XCGNWRKASA-N 451.520 0.892 30 20 JCED CS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1 1783086538 HYUCMFODJZJFMN-DYESRHJHSA-N 482.942 0.959 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784747556 DAKLACXPQJIIRY-HRAATJIYSA-N 471.576 0.168 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=N)N)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1786810236 XTROSDKUBURVKW-QAETUUGQSA-N 464.567 0.015 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)C[C@@H]21 1788475354 NAIJQTJRHIRLBK-FFDLZJQPSA-N 458.515 0.971 30 20 JCED CC(C)C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)N1C(=O)c2ccccc2C1=O 1789944646 SLGWJYSHVINJLQ-DVWBAYGPSA-N 495.532 0.765 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3OC)C[C@@H]21 1792261789 RAXRZSHXDOJIKN-FJIDUMEYSA-N 487.557 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc3c(c1)OCO3)C2 1792485384 JFMHDWZFDVUCEB-JINAQJPASA-N 455.511 0.796 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1793347367 BPNCJLJYADHXFS-UJMXGEILSA-N 491.585 0.640 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)n2)c(C#N)c1 1796357135 AXVSNGLUKDKDDT-YVWYUNDQSA-N 453.455 0.214 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(=O)OC(C)(C)C 1796393423 MZACLNFYOMBLAL-DFBDCSAJSA-N 455.552 0.707 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cc(-n2ccnc2)ccn1 1798729042 OEAKLTVOUIKIIV-QUFBPKGLSA-N 468.514 1.000 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)C1 1799195970 KIPZWXPAGKBLLC-AIDNLNPPSA-N 498.580 0.918 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Nc2cnccn2)C3)c(C#N)c1 1799239676 GEIBNKZWJPDIBM-RTNRFSENSA-N 464.526 0.990 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1799355492 OQGZVGOVCUFHAZ-XMTFNYHQSA-N 481.594 0.134 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2)NC(=O)OC(C)(C)C 1801931303 FEOMOVNABHVXPK-AXVVYFOYSA-N 462.551 0.727 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1801953523 DTVBEFFKQAYRTA-ALXJQNPVSA-N 451.568 0.773 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@@H]2c2cccnc2)cc1 1810348142 IRWBUPSPOJEQIJ-VTZPFEBOSA-N 463.538 0.852 30 20 JCED Cc1cc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n(-c2cccc(=O)n2C)n1 1812878540 JJNSPMJEHTTWPV-UUOWRZLLSA-N 488.504 0.682 30 20 JCED O=C(CN(CCO)CCO)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1822026526 LGNSZYPUUZDVGZ-JLBMLGSFSA-N 466.539 0.217 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CSC(=N)N)C2)C1 1828806543 WWJJXZUSJUVEHT-OAQYLSRUSA-N 458.544 0.979 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828812060 CMJDZLMZGBUCNH-UKEJNIAMSA-N 497.504 0.646 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCN2C(=O)OCc1ccccc1 1828877252 GJHLQHCBLQOVFF-MBSDFSHPSA-N 453.499 0.631 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1829267477 QEUHQGLFUURXIM-YADARESESA-N 452.511 0.598 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1829555259 ADXBWSULZGEYIR-YOXWTLATSA-N 464.906 0.369 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632090 ONUSGJDIQCYIMJ-UUOWRZLLSA-N 456.543 0.814 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C1(O)CCC1 1829745599 IGLHTANKPKKOSU-FDDCHVKYSA-N 457.527 0.945 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1829765965 CECWMCSNMGUHMF-FUMRIQNTSA-N 453.499 0.263 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3C)OCCO4)C2)C1 1829766267 OXSUBPOPQABGMG-CVUHLLMESA-N 485.537 0.695 30 20 JCED CN1CCC(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1830006629 YFPIRDFRQHEZBF-NNSWWULUSA-N 466.579 0.704 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1830468786 ZDCJHJGOUWCKQO-QFIPXVFZSA-N 456.886 0.957 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC[C@@H](C(=O)OCC)C3)CCO2)C1 1830699952 ZCSAPVIAEMECAC-PWSZPPJVSA-N 464.559 0.851 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1831418292 BIQDDQHOJCLOJE-BVZFJXPGSA-N 485.537 0.720 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)CCO2 1831524584 VFUXLAGZSULXSE-DVECYGJZSA-N 469.538 0.900 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)c3ccccc3C1=O)CCO2 1832530793 HERCHERUGDFPKR-VWLOTQADSA-N 465.506 0.543 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 1833473028 HHKHIAXNOSGSGT-GOSISDBHSA-N 457.575 0.974 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2)C(F)(F)F 1833599566 MTGFTWNARDTRSI-SFHVURJKSA-N 477.461 0.674 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)no1 1834716115 CVPAXIRRCAMOFG-UHFFFAOYSA-N 487.605 0.566 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1835067058 NMOZVWIMHYEABV-DEOSSOPVSA-N 458.559 0.976 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835169006 PWJLTPLQYBEJFR-XMMPIXPASA-N 472.542 0.696 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835392929 IOMWZEBFMJYAFR-NTKDMRAZSA-N 496.605 0.244 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1835714105 WXRYYQAPQWWPEG-NHCUHLMSSA-N 481.590 0.626 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1835781879 ROLJFFJMFWLCAT-KMUCBOENSA-N 464.588 0.847 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836099943 PKSRESUMEDFDHV-QGZVFWFLSA-N 468.558 0.866 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)c(C(F)(F)F)n1 1836322090 ZRBOLXSLIZYZDP-FQEVSTJZSA-N 492.414 0.851 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1836859163 RWXCHEGJZIYGHK-QGZVFWFLSA-N 471.558 0.667 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc6n(n5)CCC6)CCO4)C3)c2c1 1837095802 WPNNALOIFHHERB-DEOSSOPVSA-N 475.509 0.961 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1837397131 RJDOZTCZOYNDAI-KOSHJBKYSA-N 481.590 0.883 30 20 JCED CC(C)c1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)no1 1837488321 AKWLUQCVGKSMTE-DEOSSOPVSA-N 474.558 0.891 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837837671 HFZIRSROPWNKNK-JOCHJYFZSA-N 462.934 0.899 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837972424 FAKLCCCTYNTFAM-HSZRJFAPSA-N 455.467 0.793 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838118646 SRVXBMRBTUVEHE-XNTKYKATSA-N 498.540 0.866 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(C)[nH]4)C3)C2)c(C#N)c1 1839131382 DXJNZZGYYSGWKY-QHCPKHFHSA-N 453.499 0.911 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F)CCO2 1839176006 PPKJWXHRRNUUOC-NRFANRHFSA-N 482.459 0.948 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191024 QKPHYTSLLWGOBJ-GOTSBHOMSA-N 465.547 0.540 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2)c1ccc(O)cc1 1839216508 YCYAKTABBPMIOK-LIXHSBQKSA-N 483.565 0.966 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)c(Cl)c1 1839423528 HZTGIRLNYCWPBG-NRFANRHFSA-N 460.922 0.122 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3F)CCO2)C1 1839968757 CTGDIHDRFWMRHY-QHCPKHFHSA-N 462.522 0.943 30 20 JCED COc1ccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(OC)c1 1840044822 ZNRFLAQPXGPJOJ-HSZRJFAPSA-N 460.483 0.181 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=CC(C)(C)N(C(=O)c3ccccc3)C1)CCO2 1840086455 TWAHDQMYZVOZOG-RUZDIDTESA-N 451.523 0.937 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)c1 1840106099 CIIUMDUFJSHALK-HSZRJFAPSA-N 458.490 0.780 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]34COC[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1840171237 WWZKFINXVOXDMP-NWVWQQAFSA-N 479.574 0.902 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840801066 IEFYHWBRKCGPSB-VGSWGCGISA-N 453.536 0.396 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840857774 ZVVVCYBLBDZBLY-VQPPSCEASA-N 467.563 0.648 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841236859 RRKZDGFMBNGADJ-KRWDZBQOSA-N 458.515 0.508 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCNC3=O)C1 1842564709 CZHCZEWVOZXIIR-OAHLLOKOSA-N 470.530 0.360 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845810083 CJFSDMGBHKVHBI-INIZCTEOSA-N 478.546 0.430 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1847090210 YJZCFIYASNMGBT-CBFMJHRQSA-N 464.567 0.430 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 516372822 UKOLROZOCYJSTQ-UHFFFAOYSA-N 492.485 0.943 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CC1 517184136 LVWKWNAWUNLROE-UHFFFAOYSA-N 479.522 0.670 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 521564367 DVVPPTUHVXEDJQ-UHFFFAOYSA-N 455.540 0.957 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 573943729 MKMPFMXJDARNOZ-FQEVSTJZSA-N 475.958 0.861 30 20 JCED Cc1[nH]c2ccnn2c(=O)c1CC(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 729186760 ONFKZLLERMTORC-GOSISDBHSA-N 463.454 0.839 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c1 747316150 GNYYJLWIARCNPN-PTGBLXJZSA-N 499.615 0.370 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 887556321 DFEDUMNHRVDNLH-QGZVFWFLSA-N 494.570 0.552 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(C(N)=O)c2)CC1 913330276 IADGPILHDZBEAN-UHFFFAOYSA-N 456.480 0.347 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)NNc2ccc(S(=O)(=O)NC3CC3)cn2)c1 917736998 MIAYPTLOIMYWKP-UHFFFAOYSA-N 451.530 0.744 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 918285154 AWFZPCSAPZPFSD-NLFAIWHDSA-N 484.600 0.864 30 20 JCED CC1(C)NC(=O)N(CCC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 918997950 OMMSXMJABRGKHZ-UHFFFAOYSA-N 484.469 0.719 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCC[C@H](NC(C)=O)C1 919016878 UJFFHWUDROHYFA-XDHUDOTRSA-N 468.510 0.822 30 20 JCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)CN1CCS(=O)(=O)CC1)CCCC2 919141605 CFMANHQRWINASX-INIZCTEOSA-N 478.571 0.630 30 20 JCED COc1cc([C@H](C#N)NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc(OC)c1OC 1325965278 BQXDEWJXAFBVBD-ILXRZTDVSA-N 451.501 0.429 30 20 JCED N#Cc1cc(CN2CCOCC2)cn(CC(=O)NCC2(N3CCOCC3)CCCCC2)c1=O 1459091918 ZRDNVOHYKFOVPW-UHFFFAOYSA-N 457.575 0.703 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503407803 YJKKUWKWMFDGJW-UHFFFAOYSA-N 469.575 0.768 30 20 JCED CC(C)NS(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1617887926 LXZRYUOGNMWEHJ-KRWDZBQOSA-N 454.622 0.317 30 20 JCED CN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696589087 PIEHHRJKEOVGGC-KRWDZBQOSA-N 457.560 0.613 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705747979 YVGSFPVIEAMTOH-MRXNPFEDSA-N 474.031 0.775 30 20 JCED CCc1nn(C)c(OC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1709015122 OUVQSBUAWYWMLH-XIKOKIGWSA-N 454.532 0.683 30 20 JCED CCOc1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1710547077 NZPBBRPSEJXTPU-UXHICEINSA-N 490.586 0.981 30 20 JCED Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1726403304 ORUUFEZLVRPLMK-LJQANCHMSA-N 450.952 0.988 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CCO1 1741104807 OEYWLLIGYMEUMU-FQEVSTJZSA-N 472.571 0.983 30 20 JCED C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N1CCOCC1 1750062877 JWZRNEVWUHMSOV-MRXNPFEDSA-N 475.575 0.650 30 20 JCED CN(C)CCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1766928531 MJJHSNQJISXFQS-GHTZIAJQSA-N 467.615 0.896 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nc1 1779100263 AGKLNYZSFWCYGS-UZWDYZERSA-N 480.543 0.458 30 20 JCED O=C1NCCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)C/N=C/c5ccco5)C4)C3)cc21 1779135722 FOCGOJSHSPSBHX-YVABFXQFSA-N 454.487 0.172 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](O)N3CCOCC3)C2)cc1 1779411032 VMEWJKNGRKOTRS-FGCOXFRFSA-N 456.543 0.265 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)CN(Cc3ccccc3)C(=O)C(F)(F)F)C2)C1 1781273247 LXXILRRABXPUEO-NRFANRHFSA-N 481.427 0.495 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1782072141 CSSGIMNPYAJNAH-AUSIDOKSSA-N 467.563 0.500 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=S)NCC)C3)C2)c(O)n1 1782638543 IBPMIORJIPUOCT-JOCHJYFZSA-N 461.588 0.833 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)[S@@](=O)c3ccccc3)C2)C1 1782678687 PGLUCAJWYVWUJJ-OUDVIZPQSA-N 459.568 0.871 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)CC)C2 1783267571 FEYQAXFCWSMJGS-PMAPCBKXSA-N 499.630 0.852 30 20 JCED CN(C)CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783778512 VAGDWYALQVLSLB-IIBYNOLFSA-N 458.625 0.980 30 20 JCED Cn1ncnc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783779670 KJUNLVXCJHFVMQ-SZNDQCEHSA-N 482.607 0.860 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1783910619 CPOMJSSWVXHNDQ-WZONZLPQSA-N 499.630 0.948 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)cc1C#N 1785194384 SZZXGIPODLKWAC-QHCPKHFHSA-N 469.498 0.341 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)Cc4ccnn43)[C@H]2C1 1785331035 FVPJSEODEMHXFR-KANFNMMFSA-N 457.531 0.788 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1785571482 BUJVMQGUGDTXCT-NYHFZMIOSA-N 459.503 0.542 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1788470028 UVZDGJKOZPWYOS-OZIGNCPNSA-N 458.515 0.535 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1788573640 DITYUBVNWHMBDJ-LEUOFYLZSA-N 476.599 0.444 30 20 JCED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)CC1 1788628603 WYXWGOKXMJJRQG-FKBYEOEOSA-N 460.619 0.302 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 1788632360 NPCRGFCHVKVKDT-BJLQDIEVSA-N 456.543 0.958 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789883738 DLPLOCJDLZXPEL-FPSMNIFISA-N 450.536 0.017 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=S)NCC)[C@H]2C1 1790567908 UJSADLMZZIUPIH-XSLAGTTESA-N 497.662 0.920 30 20 JCED CCOC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)CC1 1790719593 INXGZILVXSFPFB-CZNLGSPVSA-N 451.520 0.838 30 20 JCED CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21 1790847488 JQMQNSFNNFGLLP-RCBQFDQVSA-N 453.421 0.701 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C[C@@H]21 1792172648 ADPLYGZJELZUBT-ZWOKBUDYSA-N 497.577 0.671 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792625429 UEVFCCOQFVUTDE-KYHPRHEASA-N 467.567 0.317 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1792887812 DDCQQEVGNAJRRB-NYUBLWNDSA-N 488.541 0.412 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccn(Cc4ccc(F)cc4)c2=O)C3)CC1 1795409009 JJRMWBWNWAFPJA-IZZQQSIFSA-N 465.485 0.938 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cccn2c(O)nnc12 1796288241 NYTPCRAGPWUUOX-NLVNUDGLSA-N 458.475 0.167 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)C1 1797809708 AYMMGBCEGARTSO-GAURBIRRSA-N 451.520 0.694 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1797816441 KJDKSAQUZONJDC-KYELBMCYSA-N 469.542 0.871 30 20 JCED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1797913611 BTOFVERXIOFOLK-ALXJQNPVSA-N 486.573 0.016 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncn3c2CNS(=O)(=O)c2ccccc2-3)CC1 1798411130 LAYXRGFFPRHHJG-CCWDJLKJSA-N 496.549 0.171 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)ccn1C 1798530024 NTGNAWIPEGAISQ-WQDJSCAQSA-N 472.542 0.505 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694929 PBLLPMQATGIBHU-NCFLMTQFSA-N 487.557 0.850 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1799152522 CWLDWBVLQAVPCR-ACDHPSKBSA-N 462.547 0.904 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOCCOC)C(F)(F)F 1799383252 SPYJKOQTUDDCOD-IZZQQSIFSA-N 482.496 0.781 30 20 JCED C[C@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800336995 QDUBCGHXINLQBR-AJDBGRLRSA-N 463.538 0.903 30 20 JCED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1800488163 WIGBPQUNRIPRKO-QTMHVTGLSA-N 494.637 0.945 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)CC1 1801995950 XFRYTSKLRUHXOB-HATOLVCRSA-N 490.582 0.198 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ncn3nc(N4CCOCC4)ccc13)CC2 1825665545 SGKYFGLOKWVBBT-ZDUSSCGKSA-N 495.521 0.336 30 20 JCED Cn1ccc(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1829008502 OSFRIKYNHNPEBV-VWLOTQADSA-N 493.520 0.503 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCN2C(=O)OCc1ccccc1 1829373044 PTZZGKWHRLXUTB-XMMPIXPASA-N 479.493 0.277 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCN2C(=O)OCc1ccccc1 1829387020 UTAHHERUJPEZKJ-JOCHJYFZSA-N 468.539 0.982 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3CCC)C2)C1 1829766020 GJKSEIKLUSZUHL-YLNCNTMDSA-N 460.531 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1829766286 PWNIJEOLCLSRRT-RMUOZIPVSA-N 461.544 0.344 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829947398 YOIWUDKBZUBZME-YTZAWJCFSA-N 494.589 0.438 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1830056124 MXBCYRZRIPJLCM-OAQYLSRUSA-N 464.544 0.246 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1831397487 ZFULTPWEKDJZPM-SBUREZEXSA-N 453.499 0.580 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1831397610 TXMHWMAFPRBSTH-GAJHUEQPSA-N 459.499 0.367 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CNC(=O)O4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1831575753 FPBBLZSRRKJEBH-QQMNAOGKSA-N 494.545 0.117 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831728721 FDJXWIHQROPQDX-HJPURHCSSA-N 491.545 0.722 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(C)[nH]2)CCO3)c(C#N)c1 1831857966 PYRGDGCPFLNEFF-HSZRJFAPSA-N 453.499 0.911 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)c(F)c3)CCO2)C1 1833484872 RXCZPPSINSEBSK-HTAPYJJXSA-N 451.495 0.872 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nc1 1833600297 XDMSOFRSGAHFBT-NYNQOQISSA-N 490.538 0.267 30 20 JCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1 1835046794 KUMDMMDCNHWKPG-PBHICJAKSA-N 458.625 0.762 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOC)CCO2)C1 1835228192 ULKOVKYWYADFLD-VGOFRKELSA-N 455.552 0.949 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347682 BYOQOXJXERLRAE-OZWPHOJSSA-N 492.573 0.507 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCO4)CCO3)c1 1836970700 GWZJDEWGBUNIED-XMMPIXPASA-N 481.509 0.930 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837318045 JGUUYRSQUORZFC-UGSOOPFHSA-N 452.426 0.121 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837491746 XDSWNCHZFCSEGU-XMMPIXPASA-N 467.526 0.498 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1837493564 KQLLWMUQINSAFE-QHCPKHFHSA-N 458.515 0.010 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCSC)C3)C2)c(C#N)c1 1839132914 WAYNFRWHCKRULW-NFBKMPQASA-N 477.583 0.680 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839138868 JGITZQFPPIIVLF-NRFANRHFSA-N 454.524 0.288 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)c1=O 1839186783 OCSUATQIAMIKGW-DEOSSOPVSA-N 468.485 0.709 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1839227163 KUTNKUFEMZCVTQ-ZHRRBRCNSA-N 463.535 0.796 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1839622480 HEKOCFCZFSZXLZ-XMMPIXPASA-N 457.575 0.982 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839635310 PBISEYFDPPKFQF-PXDATVDWSA-N 482.585 0.491 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839636312 KRVRGLMAOTXCIY-CZSZKKDXSA-N 470.570 0.782 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1)C(F)(F)F 1839894277 SVISADOSGFOSBV-HXUWFJFHSA-N 471.480 0.907 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840016561 JKOOBLHQGDQQBS-YHPCMVROSA-N 467.522 0.391 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C[C@@]24C(=O)Nc2ccccc24)CCO3)c1 1840037494 DBOYPCYKFWPUFW-MUEKUWCCSA-N 475.505 0.866 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(Br)cc34)C2)C1 1840041881 MSPDPAFBVCMPRT-FQEVSTJZSA-N 491.298 0.483 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840156222 KQMOCCXWJVTXQO-DVSDUFGPSA-N 487.619 0.379 30 20 JCED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1840797169 CKUJFJIVSDRWPG-HSZRJFAPSA-N 477.514 0.098 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1840842816 CBKIFQUBYRFTMX-VWLOTQADSA-N 477.521 0.981 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840853773 NTPYOVWFRWPVFQ-YKSBVNFPSA-N 463.575 0.446 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1840907273 SQXSHOHYCWAJHF-SBUREZEXSA-N 491.545 0.294 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1841475726 ACGUIAWJMZQBBW-LJQANCHMSA-N 494.556 0.884 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843154277 SUMMBTDZBDZXIY-CVKSISIWSA-N 480.573 0.855 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1=O 45399122 KVUCFVUUZHPXIN-QGZVFWFLSA-N 454.483 0.679 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(OC(F)F)c2)c1=O 590897502 YAUDNMBMBPAGPU-UHFFFAOYSA-N 465.478 0.971 30 20 JCED CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c2ccccc2O1 604168583 DVRGBWUHHJMDDY-HXUWFJFHSA-N 462.510 0.922 30 20 JCED NC(=O)C1CCN(c2ncccc2CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 729376408 MJSDUAOFYSHNSZ-UHFFFAOYSA-N 470.555 0.528 30 20 JCED NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)C1 730972419 GFDXYQIIYXOQAK-GOSISDBHSA-N 469.567 0.739 30 20 JCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)c1 819800990 IIAZSIRUKNAVCK-NRFANRHFSA-N 464.544 0.739 30 20 JCED Cn1cc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc2)c(=O)n(C)c1=O 884289793 JYTBRIVBSOCUKX-VMPITWQZSA-N 461.496 0.465 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccn3)c2=O)cc1 916193477 BSHFXPLRRBFEPY-UHFFFAOYSA-N 491.573 0.254 30 20 JCED N#Cc1ccc(NCCNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)nc1 918263759 JHTFIGHPWXRSKI-IBGZPJMESA-N 464.482 0.134 30 20 JCED N#Cc1ccc(CS(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)cc1 921133600 POLZOTDCFFZLAI-UHFFFAOYSA-N 454.555 0.884 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286629132 KIGMLSSDFTXMMB-OAHLLOKOSA-N 497.043 0.272 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1286986485 QKJXZIBATGXHGJ-KRWDZBQOSA-N 481.623 0.903 30 20 JCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1499142040 UYEOVINXWMZYQV-MRXNPFEDSA-N 461.596 0.362 30 20 JCED CCN1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1502282176 TYGQIRJZOCXATP-HKUYNNGSSA-N 487.634 0.966 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1510218025 MFOUHAMPLIHVES-RDJZCZTQSA-N 496.638 0.932 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1N1CCOCC1 1541946667 ZBJQVSGOMAFGQY-FUHWJXTLSA-N 475.575 0.502 30 20 JCED Cn1c(=O)[nH]c(N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c(C#N)c1=O 1559049846 YJUDTIIGTJKWCP-UHFFFAOYSA-N 454.306 0.219 30 20 JCED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 1658267759 IGIZYIYEKFYSMS-SFHVURJKSA-N 453.547 0.901 30 20 JCED CCN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)S(C)(=O)=O 1695745873 OBXSOALFETVHSC-DLBZAZTESA-N 464.596 0.077 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1696591877 DXSHHUFHRPSPAQ-UHFFFAOYSA-N 475.575 0.583 30 20 JCED CC(=O)N1CCC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1705969570 ZVHJMDKEYCOPBK-LJQANCHMSA-N 479.607 0.609 30 20 JCED CS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1712711383 LBMMSADSLSOSLQ-UHFFFAOYSA-N 453.532 0.483 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)C1 1771359934 RERZEXBJNCKSFX-AUUYWEPGSA-N 481.579 0.993 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)n1)CCO2 1779017178 CZGFLOBEEKAUSW-MQHZAWOVSA-N 470.574 0.833 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1779100186 UECDQEUPARRSHP-WCQUILQHSA-N 450.536 0.748 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779947059 FKSFBOIHUBGGSW-SZNDQCEHSA-N 491.595 0.426 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1781341638 YLZNIWYKHLDLKW-VGSWGCGISA-N 461.519 0.606 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1781380628 SJUAQIZMUWXGHK-JOCHJYFZSA-N 455.552 0.452 30 20 JCED O=C(COc1ccc(O)nn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1781494475 QQZNFHIVINLBJW-DFABGMEPSA-N 477.518 0.604 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1782511038 KRDQQNHVWSSFLR-IBLIISRWSA-N 452.511 0.873 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1)c1ccc(O)cc1 1782664611 MJZLNBDXCFCIIU-CJFMBICVSA-N 464.522 0.976 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)cc1C#N 1783261507 BATIDVAURMXMDO-DEOSSOPVSA-N 474.558 0.076 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1783686292 KXQKUPQEIARYFT-SIKLNZKXSA-N 473.567 0.313 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)C1 1783768945 TYKFKRVZVWVBRH-PNCHPQGNSA-N 482.578 0.437 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2)c1ccc(O)cc1 1784017843 VEEBLUTYXSQWEZ-HOYKHHGWSA-N 468.510 0.271 30 20 JCED CC(C)(C)OC(=O)Nc1ncc(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)s1 1784369043 IXLNVGONTJDBKQ-OAQYLSRUSA-N 478.527 0.951 30 20 JCED Cc1nn(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)c1F 1785777124 OBJGMSVTUWRXMH-YDHPSYJASA-N 451.499 0.990 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)c1Cl 1786976973 QPGCONTWXWGQPO-QRTARXTBSA-N 481.900 0.850 30 20 JCED CCOc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)cn1 1788656141 IXIBWMJENGSRIZ-IAIPLHDWSA-N 461.519 0.998 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1790778422 XDWHYPQJLCLIDO-WDSOQIARSA-N 462.524 0.090 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)N4CCOCC4)C[C@@H]32)c1 1791987155 OZVWLPTTYXVWIJ-AUXRFOBDSA-N 456.543 0.558 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C)CC1 1792554883 PSZSPNLHWMTIQN-IYWMVGAKSA-N 462.591 0.834 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1792792847 NQEYLGFQGRHVBY-UYXROKOJSA-N 469.604 0.651 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1793362558 YHOXWQHSBSKRRU-FCQWJQKHSA-N 453.495 0.910 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@H]2NC(=O)NC2=O)c(C(F)(F)F)n1 1794206761 HUBPNFNHAIKFHD-GFQSEFKGSA-N 464.404 0.822 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795086228 XJCQZRGJXCNYEA-BASYENTBSA-N 452.508 0.336 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)N(C(=O)OC(C)(C)C)C1 1797626802 KKCHXZRSWOFRKQ-RCJHGTSTSA-N 489.577 0.475 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)C3)cc1 1798920993 UEQHTXLYWNVUBU-PDOICOKGSA-N 463.494 0.768 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1799334672 RJGPYHIMRJVEBX-BMQTXXJKSA-N 483.525 0.323 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1800806257 GZNWQGOHBCECRY-JWXAEQQXSA-N 481.590 0.519 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C 1800825369 MHRNQLWGPJAEBF-TZGYDXHLSA-N 481.590 0.928 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2)c1ccc(O)cc1 1801055924 RLBROMQELWVZAY-CROMWVBPSA-N 462.568 0.914 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1804408766 WCROSIMBTWQJRT-CNALLMJASA-N 475.546 0.646 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2nc[nH]c2[N+](=O)[O-])[C@@H]1c1cccnc1 1808362229 BAPUTZCOVAKMBD-OHLRXGENSA-N 453.459 0.891 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810328565 KCAWSTOWWRUXIE-GIWBLDEGSA-N 470.570 0.937 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]2c2cccnc2)c1 1811410044 LZUXDBIIAAOXPE-UWJYYQICSA-N 479.493 0.824 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2c2cccnc2)c1 1811536680 WVBKEKVXSRTKJO-HNAYVOBHSA-N 457.454 0.646 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1813118321 SKCCBYSQHNNBIF-WPSZSDGUSA-N 486.525 0.547 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)CC2 1814984070 JYUVXGAJNVPPDX-IUODEOHRSA-N 453.590 0.914 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815329979 KAIIJKQQGFKGAE-CYBMUJFWSA-N 481.538 0.799 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815770173 ALCWZCYDZMDTOD-HOTGVXAUSA-N 465.470 0.951 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNC(=O)C(F)(F)F)n[nH]1 1822438749 NHITXGXAKYBBDK-FMFIFOJESA-N 456.425 0.939 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](COC)NC(C)=O)CC2 1822928395 UYMBACWAGZRBIP-ZFWWWQNUSA-N 452.533 0.716 30 20 JCED CS(=O)(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828909696 KLAORLMHGRTYJH-DEOSSOPVSA-N 487.578 0.897 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCN2C(=O)OCc1ccccc1 1828990825 WHZDAHVTQDPYDG-NLFFAJNJSA-N 484.553 0.915 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1829332210 DERVOJWFFQBZLE-QHCPKHFHSA-N 481.465 0.269 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)cc1 1829630086 QOGAVSBLKHHSAR-XMMPIXPASA-N 466.494 0.660 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829636396 YJULSPNKEFBDST-RPWUZVMVSA-N 473.526 0.563 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829905502 BNDUNORUUFFDCN-AFMDSPMNSA-N 491.548 0.771 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1ccc(Cl)cc1)CCO2 1830682148 GWWJOBKBXZHIAE-XBKFQHLESA-N 475.929 0.838 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207940 BKXLDCGQRWPHJZ-YADARESESA-N 475.542 0.435 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1832000135 HWNGYKJPNPNOEJ-KDLAUNOPSA-N 496.605 0.779 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832005044 BLKVBOOPJNZCLN-VGOFRKELSA-N 453.536 0.655 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833024312 JEGHRKXPERIIRP-AOSWFRPUSA-N 480.587 0.404 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833027734 QZXDAUYTRXXIEZ-FQEVSTJZSA-N 453.586 0.854 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1833198758 HLEHADVLMOIRJY-NHABPYLBSA-N 463.535 0.505 30 20 JCED COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1C 1834579405 AUFQFPJCWUATDE-RWOVVYLESA-N 459.547 0.940 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835068483 KJCMXBGPQAYDND-LNZPYGSCSA-N 478.638 0.313 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835145324 XVRORLNUQORCJG-WMZHIEFXSA-N 478.567 0.345 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cc1F 1835364639 CHNMNCVVBNSFMR-HXUWFJFHSA-N 453.492 0.603 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)NC(=O)OC(C)(C)C 1835439143 BREVLCGJXOZBIY-SBUREZEXSA-N 482.578 0.391 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835766693 MWRKXMVMDWWSKG-VGOFRKELSA-N 453.584 0.010 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835817521 FZCSFGVVFTZGOV-RDPSFJRHSA-N 459.543 0.695 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380792 GFLZKOWAULZERS-VGSWGCGISA-N 465.572 0.908 30 20 JCED O=C(O)CSCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1836520904 XASVEIKRGQWYIV-WUUFJKRQSA-N 468.553 0.761 30 20 JCED CN(CC(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1)C(=O)C(=O)O 1837431254 CRRIWVXVWJOVCH-QFIPXVFZSA-N 481.622 0.037 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)ccn1 1837528397 JBBZYFOVQGIUEJ-IWXLIXGASA-N 489.529 0.639 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)CC1 1837869355 LFVADRVBWURVDW-QHCPKHFHSA-N 466.579 0.883 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1838498902 ICYTWWFEJFAHOG-QHCPKHFHSA-N 471.514 0.142 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCO2)C1 1838525754 HAIRWYKGWBQWMG-RBZFPXEDSA-N 451.501 0.918 30 20 JCED C#CC(=O)N1CCC(OC2CCN(C(=O)Cn3cnc4c(O)nc(NC(=O)C(C)C)nc43)CC2)CC1 1838735607 MTZQWIDARCNKPP-UHFFFAOYSA-N 497.556 0.758 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)CCO2)C1 1839036077 PRTWVDKULOLXQJ-HOOSLVGPSA-N 477.533 0.992 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cccc3C=O)C2)C1 1839174756 VNZJYMSSDJJYJY-FDDCHVKYSA-N 461.515 0.827 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1839174800 XPJSDRQWMLMXHC-DEOSSOPVSA-N 474.510 0.924 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1839175182 TXIZDBXOUIPJMI-DEOSSOPVSA-N 483.525 0.847 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1839223485 WUDJHGVCQDWXGV-YWZLYKJASA-N 453.471 0.653 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424268 XLPHUCZCXJSDPG-DENIHFKCSA-N 478.933 0.433 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1 1839452026 CPWQEQMUZMTPSC-QFIPXVFZSA-N 453.455 0.452 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCO2)C1 1839481854 BSUUGQOFRURBOW-NYHFZMIOSA-N 471.470 0.579 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C1)C2 1839739333 YPZXPSUXTPJQOQ-KBMIEXCESA-N 484.553 0.492 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(Cc3ccccc3)C(=O)C(F)(F)F)C2)C1 1839809649 FBRXJRBWUWIKOX-NRFANRHFSA-N 467.444 0.667 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040277 SYCPENVYEKAGGY-XDHUDOTRSA-N 491.541 0.320 30 20 JCED COc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1OC 1840043678 OGDNYAPLRBNVRS-NRFANRHFSA-N 450.419 0.001 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)COCCO)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251819 ZTUNZQMQWUTYJE-FDDCHVKYSA-N 483.562 0.017 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1840714809 HZVOZTOVXWDHMR-GYCJOSAFSA-N 478.509 0.586 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840835298 GSHZHJZHRUQOMT-UOKFIYJESA-N 477.558 0.891 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1840909638 YHXPSBIANZDIKT-NLFFAJNJSA-N 492.617 0.845 30 20 JCED C[C@@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196864 XNJHXCKEYKFFLH-XMMPIXPASA-N 462.506 0.691 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=O)c1cc(C)on1)C2 1847068474 BPTQTUQKVINBPD-INIZCTEOSA-N 473.530 0.833 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3cc(F)ccc3c2=O)CC1 31694081 CAVNWLPNQYEPHV-UHFFFAOYSA-N 455.471 0.940 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)n(C)c1=O 33144000 WWBAGBVPIFTUAP-AWEZNQCLSA-N 465.514 0.803 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)cc1 410032474 IHQOQQRRCBAZCU-UHFFFAOYSA-N 486.641 0.454 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1-c1ccc(OC)nc1 524234935 AKQRAHPUMOHWTE-UHFFFAOYSA-N 480.546 0.885 30 20 JCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNS(=O)(=O)c1cccc(Br)c1 550248706 QQKXUBCCWBAFDZ-UHFFFAOYSA-N 455.338 0.996 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(=O)N(C)C 608855300 IESRPKDXXMZXNL-UHFFFAOYSA-N 481.578 0.708 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1=O 726043010 IQZMMJACIHMAJO-UHFFFAOYSA-N 454.439 0.805 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=S)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 726448552 HLOLASAUQGOYKN-UHFFFAOYSA-N 479.609 0.587 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 728768358 CLBPCAXCPABEGC-SFHVURJKSA-N 483.481 0.037 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 749606642 SEKAHCJLIZMVFM-SFHVURJKSA-N 488.566 0.725 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC(F)F)cc1 839310342 UOVDSUFFXINBHO-UHFFFAOYSA-N 475.477 0.500 30 20 JCED CCC[C@@H](C)N1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 917981897 NENZGVAGTPDLKM-MJGOQNOKSA-N 490.582 0.971 30 20 JCED CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 918872776 QSTZQKZFKZTCLG-UHFFFAOYSA-N 478.571 0.669 30 20 JCED CCN(C(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 919315587 ITRULGLZSMNQOE-WMLDXEAASA-N 456.542 0.440 30 20 JCED COCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1315849913 YVJJIHCZKRADEU-OXJNMPFZSA-N 486.570 0.496 30 20 JCED CS(=O)(=O)N1CCC(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1441009758 JBQLJECXKFYACO-UHFFFAOYSA-N 454.574 0.453 30 20 JCED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1503303079 LRNINLODMBUIID-ZYSBOAIWSA-N 480.616 0.967 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1696623202 QFXLJCGMJWANNL-UHFFFAOYSA-N 466.589 0.722 30 20 JCED COC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)OC 1712156728 GHNFEFNQAZOVPD-JKSUJKDBSA-N 456.569 0.402 30 20 JCED C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1743383548 LPKWOLKSERXQNC-HXOBKFHXSA-N 453.547 0.567 30 20 JCED C[C@H]1COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1763236133 XPYLAXLPKXTDFV-FUHWJXTLSA-N 467.596 0.072 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cscn2)C1 1777965906 PBMKARJDFCANRH-SGGQMZDOSA-N 461.588 0.385 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C1 1778085041 PSZBFENNPRIKLK-FWVWUXMJSA-N 480.587 0.812 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1778968769 VOVAGIGFIMEWSX-HKARXFIJSA-N 469.579 0.665 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134804 PVZWOYXHEGCAOD-CCZRKIPMSA-N 464.519 0.414 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@H]3CCCCO3)C2)no1 1779423633 VLMZXRAXZCMUPV-WICQSTSOSA-N 491.545 0.756 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780039800 IZQZSZRDLMVKAG-HOOSLVGPSA-N 469.542 0.790 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N2CCN(C)CC2)C1 1780641519 YRUFFWNHWMZWRN-DCLXLUIPSA-N 464.607 0.646 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC=O)C1 1780730274 VDNXXVGOOUSQDT-YTSMVRMISA-N 464.563 0.551 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781167547 GJHSQFGDPXWPKV-HOOSLVGPSA-N 493.605 0.106 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2)c1ccc(O)cc1 1782257361 NKOAKSCLINHTKG-YRWQMTPXSA-N 484.597 0.996 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)Cn5cccc([N+](=O)[O-])c5=O)C4)C3)c2c1 1782786608 AZHINJWNYCFTNQ-HSZRJFAPSA-N 491.464 0.648 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1783925898 JIOMVGMKEJNOQR-KWFAIERBSA-N 450.513 0.933 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)OC)C2)C1 1783995784 AHVSHMCAIWSMRD-HKARXFIJSA-N 498.577 0.657 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1784197021 AZBRNFHWVQBPAT-FJIDUMEYSA-N 464.563 0.936 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C[C@@H]21 1784481967 ZXDZWNGBMHIIJN-VMXHOPILSA-N 477.558 0.931 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1784520680 SPPNRFOKIVZZGB-UJNZZBMASA-N 451.520 0.971 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1785728344 JIJKCQRLIUHZAE-HOYKHHGWSA-N 493.605 0.734 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1785877581 SITQXZYSKNKCOS-QAETUUGQSA-N 460.535 0.325 30 20 JCED COc1cc(N2CCC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C5(C#N)CC5)[C@H]4C3)CC2)ncn1 1786693469 ZTHSFMOFQSXQFO-FHWLQOOXSA-N 468.558 0.985 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](CC)NC(N)=O)[C@H]3C2)c(O)n1 1787407567 GHKRRMIGEALNAK-FZDIXFNVSA-N 459.547 0.946 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787494345 KKSDTCZVXDCQJO-FLXRQSBHSA-N 455.540 0.954 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4cc(Br)ccc4n3)[C@H]2C1 1788387149 ZPPZHWSTDFORPG-NOLJZWGESA-N 475.299 0.778 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3I)[C@H]2C1 1788898519 BHNFIQHZPAIBPX-WDCWCFNPSA-N 464.329 0.926 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-c4ccc(O)nn4)cc3)[C@H]2C1 1790302725 JIFFDUSEKAZRQL-LNLFQRSKSA-N 450.451 0.531 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1792268003 QQGZYBUOYKRIJP-SOWBTEIWSA-N 474.562 0.727 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(Cc1ccco1)C(=O)OCC)C2 1793346868 RDVUUPUYTTXUHY-UGNRZPKXSA-N 461.515 0.866 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1793383370 TXSQHTJKPVZFNH-QXGSTGNESA-N 450.557 0.993 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)nc1 1797808695 NHFALFYXUJEZCO-SJSYYZABSA-N 480.543 0.217 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1799304204 XADVCMBEBSIDIH-JLVBRIDZSA-N 457.487 0.044 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2 1799321354 AIHNIAVEBDZRDQ-OREBXVKISA-N 498.577 0.500 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c(Br)c1 1800773909 LOCBKSTWSAYPEX-VTEUUUEMSA-N 465.300 0.678 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800801705 GSKVWOOWFUALPQ-RCJHGTSTSA-N 451.520 0.446 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(C)C)c(C#N)c1 1801848658 FPNSDHMCXLFCMO-AJYBTWMASA-N 457.531 0.996 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2)NC(=O)OC(C)(C)C 1801931668 WUIUEUQQCMKQLM-UIVXKWKOSA-N 475.546 0.833 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1802088180 VUBVBTBYKNCKRP-MVJTYMMSSA-N 489.529 0.546 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1802159526 BDBKIXPJDADNRO-AJYBTWMASA-N 491.589 0.331 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1804430967 VAIFIUYWJZPSGZ-AKRATLQISA-N 495.577 0.922 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(N3CCOCC3)cn2)[C@H]1c1cccnc1 1805068204 IINVFFCJNDQSDA-WZONZLPQSA-N 463.494 0.721 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2c2cccnc2)c(C#N)c1 1807194524 RJLJBOJFHCRZMZ-MEKIYTOJSA-N 478.553 0.803 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1808844881 ATQUMNJHACDHMO-KYJSFNMBSA-N 455.452 0.613 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC2(CCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)CC1 1810260850 LCIWHEDIXBEDEG-UHFFFAOYSA-N 476.603 0.965 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810292075 NODNYDNPMLCLLH-CXGFTZPSSA-N 458.563 0.710 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1812350903 HQYJYHALXKGQBV-DYESRHJHSA-N 467.530 0.944 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812872814 IAKNUZCTLYPKEN-BXWFABGCSA-N 460.487 0.061 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)ccc1F 1815066855 PUNUMTUJYSTNHY-HIFRSBDPSA-N 458.519 0.901 30 20 JCED C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[nH]n1 1815202583 LXOSRDWGEVEIQG-GDIGMMSISA-N 455.519 0.911 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330178 MWZLIUKVQIPNSI-PKIICXIDSA-N 466.483 0.812 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1823018159 PQACIZZTPRLVCL-AAEUAGOBSA-N 466.516 0.419 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)[C@@H](N)CN)C3)C2)CC1 1828921318 ROPGMRFDPDHCIY-FDDCHVKYSA-N 454.531 0.028 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829137339 HWUPCDBNEVWQPS-IQGLISFBSA-N 496.520 0.217 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)c3ccc(O)cc3)C2)C1 1829768729 GIMZVQLQNNQKEU-NSPFCHEASA-N 457.527 0.811 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c1 1830456866 VAUMXLPFCUHNQU-GBXCKJPGSA-N 454.527 0.473 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1830999154 ZIUOSHYOBQSNLK-MFEFFIJZSA-N 479.530 0.224 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1831392080 JAAYTNHIDJYUNZ-HXOBKFHXSA-N 465.547 0.348 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831901975 CWNACFPGYAZLRV-KKRXVXNVSA-N 450.467 0.820 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCNC)C2)C1 1831998642 OYNQJUPMLFJOQZ-MBSDFSHPSA-N 468.595 0.912 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1833106648 DNPQHZZRBXKQRP-CYFREDJKSA-N 487.557 0.887 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)cn1)CCO2 1833647851 GXVYTYOEAQWAQQ-QHCPKHFHSA-N 460.531 0.727 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=S)NCC)C3)C2)c(O)n1 1833700412 XGDDRJVXJJZUOG-QHCPKHFHSA-N 491.614 0.460 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)CCO2 1833726229 WYWKZZZCNIPWNM-VWLOTQADSA-N 483.569 0.281 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834330498 OPWBABMSLILSCC-UOKFIYJESA-N 489.573 0.960 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@]3(CN(C(=O)CC#N)CCO3)C1)CN(C(=O)OC(C)(C)C)C2 1834767889 ZKXQENRPURYTTM-QHCPKHFHSA-N 488.545 0.654 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835116582 NUXJJMKHDZQTIV-HKOYGPOVSA-N 496.678 0.455 30 20 JCED CN1CCN(c2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)cc2)CC1 1835352137 PCCFXMFHBONZPC-DEOSSOPVSA-N 455.559 0.812 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](N)c3ccccn3)CCO4)c2c1 1835705789 LATBEMURVDHMJG-YKSBVNFPSA-N 475.509 0.600 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)C3CCN(c4ccccn4)CC3)CC2)CC1 1836342309 FGITZKHGJBXRDM-UHFFFAOYSA-N 467.570 0.958 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc[nH]n4)CCO3)C2)c(C(F)(F)F)n1 1836346933 CEVFQKZSXKHLMN-SFHVURJKSA-N 465.392 0.474 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)CCO2 1836727651 OYFOKUGWDGSHJS-VWLOTQADSA-N 476.618 0.742 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836860372 OGGIQNMYMDDILC-KRWDZBQOSA-N 467.526 0.740 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837073640 ASWYHNDVIKPKHA-GYLQWBMOSA-N 453.499 0.263 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1837444226 UAYSVGKZHYULSD-NVAXRVGSSA-N 454.478 0.820 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1837489491 JLXXJQXKGBSTTM-RCZVLFRGSA-N 456.539 0.875 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837528363 HROBWDSKDOMCTE-YWJMUIPNSA-N 472.502 0.328 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1837529837 ZQGBJTRLJRBTFZ-HEXBWUFUSA-N 471.514 0.933 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1 1837531542 PGLRJMCSXMGTOG-VFJYRVFXSA-N 478.550 0.632 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1I)CCO2 1837963613 RSSVZYQKXLDWAH-SFHVURJKSA-N 486.310 0.888 30 20 JCED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)Cn4cnnn4)CC3)CC2)ccc1F 1837967925 FBNBZPOQPKFPPI-UHFFFAOYSA-N 455.494 0.925 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838101768 DKNZWQARAKYVLU-QRQCRPRQSA-N 480.518 0.920 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1 1838742616 JWTBMPQUMWYSSZ-XMMPIXPASA-N 482.493 0.822 30 20 JCED Cc1cc(Br)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838750974 JVNGBMQYBHYYHN-SFHVURJKSA-N 471.329 0.977 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1839185084 MFFIOVTVLDVIKT-RHGYRFJNSA-N 494.589 0.581 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1839421085 VGUUOZKAWNONTO-NRFANRHFSA-N 457.466 0.100 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c(Cl)c1 1839422885 QVYSVUOXIHDSOZ-NRFANRHFSA-N 462.890 0.734 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c1 1839453764 CGEWWDJEADDLPG-PKTZIBPZSA-N 459.499 0.553 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)s1 1839487962 OHAOUCDBEJYWAO-JOCHJYFZSA-N 481.538 0.907 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nc2nccn12 1839549006 OWLXKQOMRIEVDB-SJAQWOJPSA-N 486.529 0.637 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839667709 DPJQYZNYXVLTSG-HRAATJIYSA-N 466.485 0.868 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839837943 BGXQTHVAZGTMTG-JKSBSHDWSA-N 455.552 0.541 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C2)C1 1840041522 RNZHTBAYOWNOSD-PMYHVQSLSA-N 467.522 0.909 30 20 JCED COC(=O)C12CCC(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)(CC1)CC2 1840042755 MZXSVSOHLUYQBX-VNXZQDSDSA-N 462.499 0.044 30 20 JCED CN(CCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(=O)OC(C)(C)C 1840045192 VWXFOYVHHOKUOF-JOCHJYFZSA-N 467.519 0.178 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840162983 LRGYYUDSTQQMPX-IWMITWMQSA-N 473.592 0.445 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2)c1cccs1 1840202699 FYJRUNZSGHOTTJ-RTLBZRNLSA-N 489.472 0.622 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)on3)CCO2)C1 1840370258 PSKXRWJCIAQJGS-NTKDMRAZSA-N 490.557 0.899 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840801522 BGVDMKYCBAGQNB-XTVKVDEJSA-N 481.594 0.829 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840818508 HBZKOVIRIFDBCQ-QFIPXVFZSA-N 453.455 0.203 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)on3)C2)C1 1840906448 BXNPMTQCFINZGT-GAJHUEQPSA-N 476.530 0.970 30 20 JCED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1841608957 ZLHUDODZQHWDQP-QGZVFWFLSA-N 454.531 0.974 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc(OC)cc1 502015385 GKHDOMFIPGAZTN-UHFFFAOYSA-N 481.578 0.550 30 20 JCED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 516406314 GUAGCBPDIJZXJF-UHFFFAOYSA-N 469.523 0.698 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C1CCN(C)CC1 516832425 ZJABLBVLLQUBOG-UHFFFAOYSA-N 471.539 0.350 30 20 JCED CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(-c2cnn(CC)c2)c1=O 522390014 VOYBBAITLKJMHK-UHFFFAOYSA-N 467.551 0.780 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c1=O 523090220 MXKMTDZXESVEMR-INIZCTEOSA-N 499.589 0.640 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1CCc1cccnc1 524343168 WIMKVRVFWNQMTL-UHFFFAOYSA-N 495.630 0.560 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCc1cccnc1 559972387 CRDANKBCRQOXPI-UHFFFAOYSA-N 476.558 0.748 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCNS(C)(=O)=O 589161284 SZRKIIXZQXVIJC-AWEZNQCLSA-N 463.581 0.586 30 20 JCED N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc5c(c4)CC(=O)N5)CC3)C2=O)cc1 609121488 BJCNZUPBYCFAHB-HXUWFJFHSA-N 479.518 0.691 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1 794517756 MRDNHLGKQGHPJM-UHFFFAOYSA-N 480.587 0.367 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 807358417 XBGFPWMPTLNIDE-UHFFFAOYSA-N 456.524 0.724 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)NCC(=O)N3CCCC3)nnc12 913163428 NJNGBRFDILVGHE-UHFFFAOYSA-N 484.538 0.604 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CC2)o1 915375945 AQLREYFOKFQRTD-UHFFFAOYSA-N 481.918 0.678 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 1298327720 YHFFTDJOELPTKH-MOPGFXCFSA-N 476.559 0.534 30 20 JCED CCN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1313556837 ZEPNGKONIRSTGN-SFHVURJKSA-N 475.575 0.597 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CCO1 1359453013 YAATWVRCONUIPK-DENIHFKCSA-N 456.503 0.221 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCCCC1 1360708460 WUJLIJMRNMPIJL-NVXWUHKLSA-N 451.597 0.760 30 20 JCED CC(=O)N1CCN(CCn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)CC1 1508278780 KHQJRHVAOHGLNU-KRWDZBQOSA-N 477.573 0.952 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1516836244 XSESBINUJHPVMQ-UHFFFAOYSA-N 475.575 0.725 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1517437383 REVDJBIDOCLHQP-HNNXBMFYSA-N 467.596 0.513 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1)C1CCN(S(C)(=O)=O)CC1 1711028681 XEBOFOLXURDNDT-UHFFFAOYSA-N 455.548 0.854 30 20 JCED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1711319034 SJLLYESOTOIDFA-NRFANRHFSA-N 457.560 0.815 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCN1S(C)(=O)=O 1731149290 SWTNRQXREKFVHG-KKSFZXQISA-N 459.576 0.353 30 20 JCED CC(C)(O)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1741253150 ZKOQKOTUOLKLCC-MOPGFXCFSA-N 490.586 0.615 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1767253481 MYGDEIAHWCMTEA-MRXNPFEDSA-N 452.562 0.379 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCCCS2(=O)=O)cc1 1771534192 QJZFHKCXNWXBPW-GOSISDBHSA-N 479.584 0.931 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1779106204 YDYDCFMBIDSVTK-BMUPIEFHSA-N 460.487 0.825 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c(C(F)(F)F)n1 1779876732 DGKBAPJTTUYVPE-HXUWFJFHSA-N 489.414 0.618 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c1 1780176265 YAEFITYVEOWJJW-JOCHJYFZSA-N 451.439 0.812 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781337124 OUGOFIDRCVBBHR-HYFFOGBASA-N 453.536 0.130 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1782962914 XUMCJHGNIBEYQD-IXFSTUDKSA-N 497.614 0.959 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1)C(C)(C)S 1783778468 UQJLBWBQCRCACS-VFNWGFHPSA-N 483.591 0.294 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1783883227 GCPRWDBAYPBVRQ-QQMNAOGKSA-N 498.577 0.393 30 20 JCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)COCCOCCOCCOC)CCO2 1784203090 ZTESNYSFHVOMJS-QHCPKHFHSA-N 454.564 0.706 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1784785749 PHJCGEGPLCXAST-TXTZMMAHSA-N 452.552 0.570 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1785594681 XKBCCPZXMQATCD-XMDBHEJHSA-N 467.592 0.912 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785784208 RQLZGHIOEJRMST-SXKCCIOGSA-N 489.642 0.956 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786563276 JOCJFJASLMFKKF-TUFLPTIASA-N 498.580 0.787 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n[nH]3)[C@H]2C1 1786941710 XYNHYLITXSEUHA-JKQORVJESA-N 461.519 0.625 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1 1787199287 KWTKLKACZYAHJT-MGHWNKPDSA-N 497.474 0.716 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1788573508 ZWBCLBAYXCCTPN-DSLXNQLJSA-N 485.541 0.845 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788632198 KXIXHKUQXVMWFD-MUGJNUQGSA-N 455.559 0.955 30 20 JCED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21)c1ccccc1 1788704575 FTIGTETXUDJCMG-SXYSDOLCSA-N 466.538 0.761 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(CO)on5)[C@H]4C3)c2c1 1789377745 IHAKPEMIUJAKLX-AXHNFQJDSA-N 450.455 0.822 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)N(C)C(C)=O)C[C@@H]32)c(C#N)c1 1789842036 SKPUMDOBKXVDCY-UYIIBVGGSA-N 456.543 0.956 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOCCOC)[C@H]2C1 1789949883 PFIQUJUDIAZSCC-MLNNCEHLSA-N 486.606 0.644 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(CC#N)cc4)[C@H]3C2)c(=O)nc1O 1790146186 DGMRPMDZLKRYHF-UFYCRDLUSA-N 465.510 0.617 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)[C@@H](O)C1 1791076563 KFXKEAPKOFPPBT-BRHFBXIFSA-N 493.557 0.062 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791077719 GLEXYVYMRLBUNS-BRHFBXIFSA-N 475.542 0.701 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)[C@H]2C1 1791195511 YXABVVNRCFHTMN-FJIDUMEYSA-N 465.547 0.836 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]3C2)c(C#N)c1 1791286147 CCOHPRNFAVGETO-UBPTVHNVSA-N 473.526 0.705 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791690673 ZIOLYRQLJMAEJY-TXTZMMAHSA-N 475.550 0.130 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1793349192 JRDUTOHLONPWHC-BBIADKPPSA-N 498.584 0.752 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O 1793374685 PRGPIGJHOIGOBS-UYTYNIKBSA-N 485.603 0.173 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1793600120 UMKBRWWIXPMENQ-ZMMAXQRCSA-N 462.551 0.727 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1793830257 RSRCXMIORNOXBO-FZKCQIBNSA-N 463.535 0.646 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)nc1 1794427652 RMNHTAKRYXSSRR-YVWYUNDQSA-N 494.533 0.750 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cnn(-c2cccnc2)c1 1794445333 ONNPVGWAZASCGO-DMZJUJLGSA-N 468.514 1.000 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O 1795777000 QMIPQPDGJOGLCD-NYUBLWNDSA-N 472.542 0.355 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn(C)c(CC)c1I 1795906971 JWMAUJBNNZTHLM-QHBPRCKVSA-N 456.284 0.424 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1799231895 AFNWROZYSPPHNQ-DMUMMCEESA-N 474.562 0.565 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1799302488 BSZFMNLBIRPHBN-PTEHBNRSSA-N 454.373 0.441 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)Cn3cccc([N+](=O)[O-])c3=O)c2c1 1800284989 NIINEJJWSJZDMJ-YVWYUNDQSA-N 491.464 0.408 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](S)C(C)C)C2 1800800309 YNSVUGBMXWHZBP-SQDXWYPISA-N 487.619 0.987 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@](C)(O)CC(=O)O)c(C#N)c1 1801007268 ZBQUUFGBOWMJAN-OIDISNMWSA-N 459.499 0.315 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)C2)C3)N(C(=O)OC(C)(C)C)C1 1801103724 YGEFGEHBULUZEG-LVEJAMMSSA-N 462.547 0.278 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(O)cn1 1801464468 AGTBJHVXBPABHP-MNDZRTMASA-N 472.542 0.836 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1803547633 MVPNYTCKWNYMLI-YFVAEKQCSA-N 462.572 0.551 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H]1c1cccnc1 1809491863 KHYOHACLFDBOKT-QMMLZNLJSA-N 476.599 0.797 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810225225 UQRVXOAQBUJJAB-ZWOKBUDYSA-N 482.541 0.880 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1810247330 UXHWXOCHSGLJBX-BQFCYCMXSA-N 454.464 0.385 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810357775 OZSXIZOVSIPGTB-XRODADMRSA-N 479.537 0.689 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]2c2cccnc2)c1 1811410039 LZUXDBIIAAOXPE-LAUBAEHRSA-N 479.493 0.824 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)[nH]n1 1814433834 ICYHMYLHIASGMA-WGCVJFFOSA-N 466.564 0.588 30 20 JCED CN(C)C(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819900132 DNQOJNHTRPDCPF-SJASNNCYSA-N 452.537 0.855 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822202047 BLNYXAMEOKGUKV-GJZGRUSLSA-N 463.491 0.766 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)CCOC1 1822976873 NEUWNJSJAYDKFE-GTJPDFRWSA-N 478.527 0.827 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)NC(=O)OC(C)(C)C)sc2C1 1823563283 BIDOTDNUZPRDAO-SESYGODOSA-N 479.559 0.757 30 20 JCED C=CCSCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=N)N)C2)C1 1828629172 QUILJMXAXFJGIR-HSZRJFAPSA-N 488.614 0.841 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829302770 FMZLTKFQDXHSRC-CLOONOSVSA-N 484.553 0.742 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829466839 RHRNMZHOTNUMOG-DEOSSOPVSA-N 451.479 0.940 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632089 ONUSGJDIQCYIMJ-MHECFPHRSA-N 456.543 0.814 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)cc1 1829632581 ZFHGHXMXWXSZPD-VWLOTQADSA-N 477.521 0.981 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1830881469 XKHBUXQSCWDWIE-FDDCHVKYSA-N 499.630 0.998 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)C2)C1 1831388478 YUOQGOPSIHOEKS-AOMKIAJQSA-N 463.462 0.771 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2COc4ccccc4O2)CCO3)c1 1832499705 OKGQDVFIQZWQLA-OFNKIYASSA-N 452.467 0.796 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833412732 NNNNINGRVQSYGS-UHFFFAOYSA-N 494.589 0.577 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1833476109 XXNKMRWKZFMKLO-SFHVURJKSA-N 470.636 0.575 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834441004 LKZDWOHMYQFRBL-HXOBKFHXSA-N 477.562 0.960 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835358605 HAUJJYOZZLPYPU-IIBYNOLFSA-N 454.524 0.022 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C1)C2 1835362886 WEBUKZOAPPCKHT-UZUQRXQVSA-N 473.530 0.382 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1835365959 ZKESRLJKZCEXOP-QHCPKHFHSA-N 479.578 0.299 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835560315 DVRVQWCXEARARM-PGRDOPGGSA-N 466.655 0.087 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4nnc(C)o4)CCO3)C2)c(C#N)c1 1836025405 KWFIUXQAPRVLNN-HSZRJFAPSA-N 469.498 0.500 30 20 JCED CCOc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cnc2c1cnn2C 1836378715 XFXSUNMOTAGSHW-SZNDQCEHSA-N 463.560 0.755 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1837309437 OHBGCBVLWASSRY-AXHZCLLHSA-N 471.558 0.820 30 20 JCED COc1ccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837441250 YFQCFZLOQUHGPB-RGXRWQALSA-N 473.574 0.951 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)o1 1837453082 UKPQSDRSUHFCLQ-XMHVBLFMSA-N 461.519 0.780 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837501885 FRXUALQZMVTIBP-URXFXBBRSA-N 487.509 0.317 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1837531695 TZNUOJYFUJIVDX-KDGIGMFRSA-N 450.467 0.820 30 20 JCED CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533257 MPVIXNQRLYEEKA-ANGWPBNBSA-N 466.579 0.845 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1837732156 RQIKUTQICNFQPO-NZQKXSOJSA-N 481.666 0.645 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951534 URVDTKTUJPXBFZ-GAJHUEQPSA-N 450.499 0.919 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1)C(F)(F)F 1839044449 GSBLRINICJAGJA-LJQANCHMSA-N 488.488 0.466 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)Cc5ccc(OC)cc5C#N)CCO4)C3)(C1)C2 1839132588 KYVVTMQEQJDZKU-NRUKRLKBSA-N 497.548 0.909 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1839174984 GTGWZSOIWNWGPK-HSZRJFAPSA-N 456.499 0.914 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)ccc1F 1839187915 DSSLNZDXVZKYMI-FQEVSTJZSA-N 486.422 0.375 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O)CCO2 1839361094 PKQDMFGBGSDDLD-IBGZPJMESA-N 474.457 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)ccc(O)c1F)CCO2 1839409561 GUTQJEHARLDFPP-LXHZQTKUSA-N 465.453 0.599 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](C)S)CCO4)ccc12 1840159485 FSEQAZBONJSTQI-NYHFZMIOSA-N 476.555 0.899 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2)C1 1840171453 HAGFVSCTVPSTRQ-QHCPKHFHSA-N 485.578 0.577 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1Cl 1840230736 SPUUIQAZMXYOOX-NYHFZMIOSA-N 460.918 0.808 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)CCC1 1840815991 MRAGBQZXGJUWKM-OJZQOFKYSA-N 457.483 0.967 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cocn3)C2)C1 1840906924 LTXSYMHBYVZBNB-AOMKIAJQSA-N 462.503 0.661 30 20 JCED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1)NC(=O)OC(C)(C)C 1845811049 FVZZNDXXTKVRSU-OAHLLOKOSA-N 466.535 0.592 30 20 JCED N#CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 25694728 JSWQPVBHXFJEEJ-SFHVURJKSA-N 494.595 0.146 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2C(F)(F)F)c1=O 488967630 DUEAWNFXNMMFAZ-UHFFFAOYSA-N 466.485 0.417 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(Cl)cc2)c1=O 502047697 WMFBRXGYVLDCQO-UHFFFAOYSA-N 455.927 0.648 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C(=O)c3cccs3)CC2)CC1 510932913 HAIHHXUOICCRJW-UHFFFAOYSA-N 487.607 0.911 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 512885726 SYJKJZKNKYXYLV-UHFFFAOYSA-N 468.513 0.767 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 514334167 RTSNEFTWPYKAKB-UHFFFAOYSA-N 475.542 0.846 30 20 JCED Cn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 515922944 OBWNKRWUTPYCPD-UHFFFAOYSA-N 468.512 0.965 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 523256646 PMKLJEXVRKSPPI-UHFFFAOYSA-N 496.614 0.942 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)c1 603989208 WWBQUOBPUDBBAE-UHFFFAOYSA-N 484.622 0.916 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc3cccc(OC)c3o2)c1=O 725763926 AIQTVYNXKSIEBQ-UHFFFAOYSA-N 471.535 0.967 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 728573303 NICRNXZXLZOVIS-UHFFFAOYSA-N 486.926 0.769 30 20 JCED C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 731203927 WSOFYIHPEZVDDO-SJORKVTESA-N 461.588 0.564 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@]12CCC(=O)N1CCS2 744990165 AOCUPPCQKIUTEA-NRFANRHFSA-N 456.480 0.975 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 877869560 WDAMABXBHPBVHE-RDJZCZTQSA-N 458.558 0.636 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 913242735 LDEQSQXOGDJLNK-GDBMZVCRSA-N 459.480 0.724 30 20 JCED CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 915378393 LAMHJFFFHIVAMH-UHFFFAOYSA-N 461.500 0.659 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 916712026 WKVMYDOFQIHLTK-HKOYGPOVSA-N 476.559 0.454 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1CCOC 917352798 ACVHQQDSWDVYPV-UHFFFAOYSA-N 469.304 0.410 30 20 JCED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 919816469 DVELYFRDGZEDEP-MJGOQNOKSA-N 469.585 0.623 30 20 JCED CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 920759341 YDUGEKJWTAMMBX-MRXNPFEDSA-N 450.561 0.991 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(C2CC2)C1 1301969360 WGMCMXKCSPWMMC-NUJGCVRESA-N 451.597 0.691 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCS(=O)(=O)NC(C)C)CC2)c1C#N 1492728245 XOSHFPUSMXQTGS-UHFFFAOYSA-N 461.596 0.724 30 20 JCED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539773387 XFARVWFQAKMFAO-UHFFFAOYSA-N 457.944 0.809 30 20 JCED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1552891947 RUVLOTCZMQLTNO-SFHVURJKSA-N 475.575 0.141 30 20 JCED CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1615089635 ZQQIPJRUYNSEBM-UHFFFAOYSA-N 468.566 0.233 30 20 JCED Cc1c(Br)cc(C#N)c(=O)n1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1656440292 SVMVWIFWHUMHHW-AWEZNQCLSA-N 457.350 0.122 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCO[C@H]1C 1692346951 SUHFFXYCCYHPJD-WFXMLNOXSA-N 484.623 0.917 30 20 JCED C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1692841379 NMIALRXWEULEQX-AVYPCKFXSA-N 465.507 0.836 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1694356478 ZYVABFWKJBXPCG-INIZCTEOSA-N 485.636 0.304 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OCC(N)=O)CC1 1705681106 NLASJXBAGTVJBG-NSHDSACASA-N 465.374 0.268 30 20 JCED COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1=O 1712472024 QGDADQDLPGSAHT-IEBWSBKVSA-N 481.557 0.891 30 20 JCED C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)N1CCOCC1 1741854029 DXAXNZFYMPYYSY-ZWKOTPCHSA-N 481.623 0.462 30 20 JCED CCN1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CC1 1746469727 XVWNCHOGIFRCAP-OALUTQOASA-N 482.655 0.377 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1751228970 XBYOYAWBTIPXOI-KDOFPFPSSA-N 458.610 0.843 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760367289 PDPGSTYEMXHXDY-GJZGRUSLSA-N 460.004 0.384 30 20 JCED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 1767515210 LJPHAKFTGJQMSA-UWJYYQICSA-N 460.560 0.419 30 20 JCED COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1771116045 PKRYPFZXRRFQOV-CQSZACIVSA-N 451.528 0.872 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060691 HWDUMZWSBGMHSV-UQBPGWFLSA-N 493.601 0.791 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1780158972 RZNVRDJEBBHIKS-FZUFRQSMSA-N 489.525 0.808 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)CC2)CC1 1781109069 KVTALRSRYWMYOS-XMMPIXPASA-N 458.603 0.295 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1781292183 UKSVAMURYPGXOZ-KKSFZXQISA-N 473.592 0.720 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793613 PMCOIXILBGYUBH-BXKMTCNYSA-N 462.510 0.805 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1)c1ccc(O)cc1 1782664620 MJZLNBDXCFCIIU-NLFFAJNJSA-N 464.522 0.976 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)C2)C1 1783471619 RRRCZMXOKMJSAO-QHCPKHFHSA-N 461.515 0.551 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783604053 YWLGTUFPQUOBGF-OYHNWAKOSA-N 464.519 0.576 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CS(=O)(=O)CC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088800 JRBLAVYDDTXLEB-JTSKRJEESA-N 485.603 0.817 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=N)N)C[C@@H]32)c(C(F)(F)F)n1 1787198989 UVLCVWKJQDWKRS-BPNCWPANSA-N 453.425 0.048 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1788573121 WIFSNQMSBDWDCT-RABCQHRBSA-N 495.617 0.910 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21)[C@H](O)N1CCOCC1 1788646085 QXZFTNAEQPBVCR-UDSSINMLSA-N 461.946 0.322 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1 1789797485 ILPAAMLDXGOGPV-MUGJNUQGSA-N 450.580 0.111 30 20 JCED COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)nc1Br 1791077430 ZOUPBMXVUXAROD-HUBLWGQQSA-N 466.288 0.534 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)NCC)C[C@@H]21 1792257490 VERBSIWKUVBKAW-SPOLIRPYSA-N 493.605 0.590 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)C2 1792484749 MRPJDFYPXBRALM-ICVKDSPJSA-N 452.511 0.628 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1793344459 PRMDAPJSMXVQIE-NRWUCQMLSA-N 472.283 0.256 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1ccc(N2CCOCC2)cn1 1794442072 JCAVRDRDWQBHGO-INOOVHSBSA-N 467.526 0.834 30 20 JCED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)n(-c2cccc(=O)n2C)n1 1795598639 PSERCKSMCNAFAZ-OPMZPASUSA-N 495.584 0.365 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797816435 KCICEVQJGDPZCO-XKSKSLLTSA-N 463.531 0.860 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2)C(F)(F)F 1800549100 FZFMBQOHULCZPY-CCWDJLKJSA-N 481.475 0.730 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccco1)C2 1802124490 CRBZTGNUNKRIGP-JZFYCYHFSA-N 461.515 0.819 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1O)C2 1802125862 YUMUFNUVYDFMHO-LORHWOILSA-N 458.515 0.907 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1802138440 FDSJDRSXKXHHND-NEEVEDRESA-N 489.573 0.654 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(C(=O)OC)cc1 1802230614 YSPAZVOPCRDZOV-OPMZPASUSA-N 474.510 0.951 30 20 JCED CN1CCN(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC3)CC1 1814577819 CEIRGLZOQMBMLF-INIZCTEOSA-N 461.636 0.974 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)n[nH]1 1818782448 MARYYOSQLAMRAW-AWEZNQCLSA-N 474.437 0.688 30 20 JCED O=C(CN(CCO)CCO)Nc1cc([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1822026518 LCGPBIHCHLUBAA-IBGZPJMESA-N 461.563 0.387 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822026777 QJWZODRFJIGDEJ-KRWDZBQOSA-N 451.524 0.198 30 20 JCED COC(=O)[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1)NC(=O)OC(C)(C)C 1822314508 FQVISPWPPGDHID-CABCVRRESA-N 491.501 0.946 30 20 JCED CN[C@@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1)C(=O)O 1828990355 NVMVSZFJJGPFEF-FDDCHVKYSA-N 471.514 0.415 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(OC)c3)C2)C1 1829769044 MGQDCVGEIWIXPO-VRWDYKOXSA-N 457.527 0.932 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063264 LSZHZVTZAPHQBD-WAIKUNEKSA-N 496.561 0.449 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1831386905 KPXVWBOANKZGLN-SIBVEZHUSA-N 497.548 0.558 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1831419829 QVAVFOQLJBPTHT-JKSBSHDWSA-N 455.552 0.947 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1832000106 HBJMQQJQIHCODA-PNLZDCPESA-N 493.565 0.160 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1832462746 VFMKKWQUZKEGSG-XZOQPEGZSA-N 499.630 0.734 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](Cc1cccnc1)NC(=O)OC(C)(C)C)CCO2 1833105346 DEGONTMPOOOVPE-CJFMBICVSA-N 486.569 0.997 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833209162 AZPCYZZCEPVZKH-HXUWFJFHSA-N 452.895 0.709 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CC2)CC1 1833464602 JYKRUPFQYMDZFD-SFHVURJKSA-N 490.626 0.850 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1833565504 NAHRYIJJQIPLAM-XMMPIXPASA-N 498.561 0.882 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)nc3)CCO2)C1 1833818193 JAAMYDUECJUMIF-YADARESESA-N 487.557 0.772 30 20 JCED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@H](N)C(N)=O)CC3)CC2)cc1 1834735073 IPJHCJFXNJCBFI-NRFANRHFSA-N 454.575 0.531 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)c1cnc(O)nc1O 1835070419 NMZVTCRWUZCRIU-ANRKENSESA-N 476.534 0.602 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3nc4ncccn4n3)CC2)CC1 1835350185 DMTLFVCGMHUDMT-UHFFFAOYSA-N 467.578 0.591 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CNc3ccc(F)cc3)CCO2)C1 1835581536 YNVVJIOBSVILLE-HSZRJFAPSA-N 461.538 0.976 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)c1 1835998351 WDSCERHPZXSHLQ-HSZRJFAPSA-N 454.458 0.629 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1836289886 NIPIQRRZAQNOAO-DEOSSOPVSA-N 497.556 0.186 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c1 1837253148 QXOJRLQKLWQNSF-WRAFWBCBSA-N 468.510 0.472 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837376505 ZXRFMMYBOHMVIE-UZUQRXQVSA-N 457.531 0.265 30 20 JCED CN1Cc2ccccc2C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440725 VUXCZVQBXUAUNX-GHCICMFZSA-N 483.613 0.971 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1OC 1837445112 DMIDKCKYPRCDSY-RWOVVYLESA-N 475.546 0.641 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837481954 NVSDMQNPPPNIKA-NTKDMRAZSA-N 471.558 0.432 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492336 FMWCYLNSBQUPPA-DEOSSOPVSA-N 462.543 0.651 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)CCOC1 1838646979 QYOSJJCURNCKCT-DEOSSOPVSA-N 493.557 0.757 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4[nH]cnc4C)C3)C2)c(C#N)c1 1839132798 RDBRALOCBVWNMN-QHCPKHFHSA-N 453.499 0.911 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476798 JRVZYJYNKASACV-BFUOFWGJSA-N 460.549 0.618 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1839488518 WXQKJGTXAZKRJL-FZALXBSSSA-N 478.553 0.845 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cc(F)c(F)c(F)c1)CCO2 1840092810 XCKGTDWTBCCVLC-BTFLMBNSSA-N 452.385 0.662 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)c1 1840105728 VTXUILYROHYDLU-XMMPIXPASA-N 470.526 0.649 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1840162129 MYKXZWZDENLXPD-BUXKBTBVSA-N 453.473 0.712 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840906420 BHNLRCRNZRTWSY-CYFREDJKSA-N 459.543 0.773 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1844387700 WOPRNUAGPCNTLF-JKSUJKDBSA-N 486.635 0.943 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1[C@@H]2C[C@H](O)[C@H](C2)N1C(=O)OC(C)(C)C 1847804993 KZMYYEQFEKTILS-RBZZARIASA-N 461.559 0.985 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO 10351018 BIMLYAKLHASDDZ-VLIAUNLRSA-N 454.549 0.941 30 20 JCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 500040908 PPLPQFUQVRMWBA-FUHWJXTLSA-N 467.551 0.791 30 20 JCED COc1ccccc1-n1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccnn2C)c1=O 502007320 WBZZWBIAXQUVFJ-INIZCTEOSA-N 465.535 0.439 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccn3)c2=O)c1 523182019 QYPKWRFGIONWFG-UHFFFAOYSA-N 476.558 0.918 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccccc3F)c2=O)cn1 523578980 OSBACQQNWJYORZ-UHFFFAOYSA-N 455.515 0.910 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cc(OC)c1OC 589158977 IDPPFOWLRIIIOV-UHFFFAOYSA-N 479.514 0.807 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2C(F)(F)F)c1=O 604269836 FKKDTVVMRDMHMC-UHFFFAOYSA-N 464.469 0.798 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434472 ROPFQXKXNSAKRC-UHFFFAOYSA-N 488.522 0.655 30 20 JCED Cc1ccc(C(=O)NCCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c(O)c1 726203494 MKGSPDQFGGNYRX-UHFFFAOYSA-N 455.471 0.881 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC)cc2I)CC1 728530455 GAXXKYMFZLOBJD-UHFFFAOYSA-N 471.295 0.816 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1 915092906 CIQIDPAVXHCDAH-UHFFFAOYSA-N 450.542 0.728 30 20 JCED CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 919318679 OBZMSERYKHKNPD-HNNXBMFYSA-N 451.501 0.705 30 20 JCED CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 919506702 GIFCEAINFVSMMZ-HNNXBMFYSA-N 459.503 0.152 30 20 JCED CCOc1ccccc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1296841881 RLVSGSVJHQRIHU-ICSRJNTNSA-N 490.586 0.981 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1300904540 UHPQPOQGGDBOKS-UHFFFAOYSA-N 467.530 0.407 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCSCC1 1303862888 LMIRBLTWOHVPMB-RDJZCZTQSA-N 468.653 0.114 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCN(C)C1 1509302908 OQYBHXQOEQCQKR-GHTZIAJQSA-N 483.639 0.444 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539804143 ROWPVDPGEUSELP-ZIAGYGMSSA-N 452.002 0.698 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CS(C)(=O)=O)CC1 1541803825 NCKNAOSIZHYFQJ-HUUCEWRRSA-N 474.609 0.174 30 20 JCED CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1624076387 MOXDTRXAWZFBIE-HNNXBMFYSA-N 456.590 0.791 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1 1728401482 VQUMLECAUSIKHM-UHFFFAOYSA-N 488.618 0.356 30 20 JCED CC(=O)N1CCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 1749886175 YNBWGBNSJWQUBE-NRFANRHFSA-N 455.498 0.531 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2cc(Br)cn2)CCO1 1770748864 SNWABYQBNJPFHW-UKRRQHHQSA-N 484.380 0.958 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777822002 SIEQMSSERJGOJH-WZONZLPQSA-N 499.648 0.991 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1778884964 BERUMIGUYKFVNC-NRAIQUKZSA-N 490.626 0.765 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1779067939 GKZNTVFXWVJORJ-XUZZJYLKSA-N 471.510 0.816 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779417417 BRDZIDPQMZVHJV-AGILITTLSA-N 472.542 0.102 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](C)n2cnnn2)C3)c(C#N)c1 1780689118 XSTRSFBNCASABA-AYPBNUJASA-N 467.530 0.871 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)Cc5ccc(F)c(C#N)c5)CCO4)C3)CC2)CC1 1781108128 ORSAGSMRBTUUCC-XMMPIXPASA-N 469.561 0.850 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1781268215 JGXATBYWDNCKJV-AOMKIAJQSA-N 469.535 0.211 30 20 JCED COCCOCCOCCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1783666434 MXOWAPQTFWUKII-PGJCHXKPSA-N 471.551 0.415 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn(C)c3=O)[C@H]2C1 1784734894 YJMOWKTZHQFJCV-LEAZDLGRSA-N 486.569 0.895 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3C2)c1 1785154533 MZIPFKLCPKKUBJ-CTXVOCDESA-N 453.499 0.505 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1785572059 HJKKZZISQPCZOG-GAJHUEQPSA-N 459.499 1.000 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1785576773 MZKHSZSDASXFHT-YCRPNKLZSA-N 469.560 0.551 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1785576961 JPGUCYIHHRNRSS-HJPURHCSSA-N 473.530 0.845 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785608986 IEUQFKGPLKJYRA-WCJKSRRJSA-N 452.552 0.797 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1nc2ccccn2n1 1787263131 VCXDLNGTVRCYBC-KUPABWCHSA-N 456.503 0.852 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)nc1 1788655967 HKNRZFYZNZUGGW-VXKJNVKJSA-N 494.570 0.607 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678449 BYJGBBZRXLRQIE-NSZZHZHVSA-N 468.514 0.287 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)[C@H](O)C1 1792449514 FULCPASHYJFKLU-CWQOZTLDSA-N 464.563 0.744 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C1\C(=O)Nc3ccccc31)C2 1792490207 OYCWCZZZCARCIK-UWWJSNFTSA-N 450.495 0.470 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1793085258 ZTYDQNVFTNIOCT-DFGXFYAUSA-N 461.519 0.365 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)C1 1793086356 WACNBGWMVXOISA-MHORFTMASA-N 462.547 0.906 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794204876 DBZIQJWKDMZLTI-QRJUGERDSA-N 463.535 0.692 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4ncccn4n2)C3)c(O)n1 1794491080 RLDVLWZPWCTFGY-JLVBRIDZSA-N 463.498 0.861 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)[C@@H](O)C1 1795409434 HLBPQGAVGHQOND-ADHGMGHFSA-N 462.547 0.498 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1795597771 DNNHOFOYGOXKML-HGKCTWBKSA-N 477.587 0.111 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)N2CCOCC2)c(C(F)(F)F)n1 1798484992 DFBXBKSQILCYCX-YGTYGHESSA-N 467.448 0.874 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1799231567 FVEAUTAWEXQNKH-DMUMMCEESA-N 492.573 0.725 30 20 JCED C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236489 PIUJQMJWUJSFCH-ZJPYXAASSA-N 477.562 0.251 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799830174 DKLBXLNVGXEUCT-RUZUBIRVSA-N 450.586 0.798 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]1O3)C2 1800988492 NDPXDGDWUSNSMK-CFIWVGBUSA-N 469.604 0.919 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@](C)(O)CC(=O)O)C3)N(C(=O)OC(C)(C)C)C1 1801103095 ABUHVKBPAQANIQ-SLMNMNMESA-N 495.573 0.757 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccncc1=O 1801259403 PXFLKWZXSKYAMB-XMTFNYHQSA-N 457.531 0.798 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)CC1 1809669205 NUYRLHUXWMRDSU-FPTIVAHGSA-N 483.617 0.723 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1819709903 QORLYTZRGLRZPF-ZBEGNZNMSA-N 458.544 0.882 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)C1 1822465676 WRSULUMPYBDWAP-IVZQSRNASA-N 475.502 0.862 30 20 JCED COCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828909036 WDKUWLJDLAMRDX-QHCPKHFHSA-N 457.483 0.563 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1cccn1 1829333623 BJWHKJVSAMXVEI-KBMIEXCESA-N 493.520 0.984 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628094 KUWOYXIQWPYLCE-HSZRJFAPSA-N 475.567 0.853 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830059798 GQRQYOQDBBUIFP-QFIPXVFZSA-N 468.551 0.534 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)c1 1830462355 CARDKQPLYKXLSE-JOCHJYFZSA-N 461.540 0.765 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885981 PAIJEFMGSZFWAQ-JTSKRJEESA-N 453.536 0.132 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1COc3ccccc3O1)CCO2 1831222893 KEOBBMYTJTWANJ-VNBJOJGYSA-N 485.537 0.531 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1831387982 USONLYFSNVOWCH-KHCICDEESA-N 461.559 0.272 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ccncc1)CCO2 1832701169 ILKAZVLVTVFJEM-LJBSOROUSA-N 460.556 0.489 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)cc1 1833315535 SIAVHTDENFDLAQ-XMMPIXPASA-N 463.494 0.630 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1833448883 OJNQHOATESQBLP-DLBZAZTESA-N 458.625 0.477 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1833566667 PCDKRCIGCGNYPP-JOCHJYFZSA-N 476.555 0.390 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1833599594 ODQZMEMMENBZBR-QFIPXVFZSA-N 463.556 0.749 30 20 JCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c(F)c1 1833631886 FWBXGFLLNFOGNR-XMMPIXPASA-N 475.517 0.998 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(CC)n3)CCO2)C1 1834411463 SCQJAPQBOUFEQM-MHECFPHRSA-N 489.573 0.890 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834527860 JHTOSAGORNUAGA-PMACEKPBSA-N 489.617 0.753 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)cn2)CCO3)c(C#N)c1 1834588601 XFEHKSFHIIKZOJ-DEOSSOPVSA-N 466.494 0.980 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cn1 1835099307 FKSPTUVGKMFQBL-RUZDIDTESA-N 463.490 0.990 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c([N+](=O)[O-])c1 1835345938 LOZGXUYDYUATHP-QFIPXVFZSA-N 458.471 0.906 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835844724 PFRIXVCBMSYMOJ-BRGNJTTMSA-N 481.594 0.238 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836115623 JCDPJGIRXFPFMC-QHCPKHFHSA-N 483.550 0.976 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccccc3C(=O)OCCO)CC2)CC1 1836119389 UZVFYIBMBLGPSW-UHFFFAOYSA-N 471.510 0.109 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)Cn4cnnn4)CC3)CC2)c1 1836124114 GZZLYXIWNWJDCO-UHFFFAOYSA-N 452.519 0.439 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1836842016 DAPMXBTYOMEKFH-IAGOWNOFSA-N 457.593 0.351 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1837403617 OYQAGIGIILFRAB-FDDCHVKYSA-N 457.531 0.681 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1837404764 CBCNGPCEDCLALK-CPJSRVTESA-N 490.553 0.882 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(C)(C)C 1837440231 GMWHSRSYIHGMBY-ODMQBNIASA-N 465.595 0.465 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837488551 JVEOHOLZAIFDSX-DEOSSOPVSA-N 457.527 0.615 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837499230 HBYRKLXRJYELSO-NZQKXSOJSA-N 473.482 0.123 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837531315 JCUUPBKPMPKNEW-PIVQEWKSSA-N 472.502 0.328 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1 1838349836 VDTHSDNCSJNPOM-RRPYSREYSA-N 463.491 0.084 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)N4CCOCC4)CC3)CC2)c1 1838404781 RLDRHFLSJKNSPC-DEOSSOPVSA-N 474.533 0.960 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838478155 DHAYCLQYVKBEKS-JOCHJYFZSA-N 461.471 0.390 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838626191 LSBHDHXTJRFSHS-OYHNWAKOSA-N 477.470 0.985 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)CO1)CCO2 1839080848 MEYDKSJAVQDMQF-HRAATJIYSA-N 487.500 0.347 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)N2CCN(C)CC2)CCO3)c1 1839103682 UZTNGSIUPQYHNY-CPJSRVTESA-N 469.586 0.573 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4cncn4)C3)C2)c(C#N)c1 1839133387 NZRKHTMHHOSKOL-GAJHUEQPSA-N 468.514 0.418 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1839173193 DPZFWUMIBAMIIG-YKSBVNFPSA-N 474.510 0.792 30 20 JCED Cc1ccn(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n1 1839186561 CAFYRSVNZWTQGQ-HSZRJFAPSA-N 455.490 0.901 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839194311 FSUBOIPKUKNKDT-WZONZLPQSA-N 485.578 0.311 30 20 JCED N=C(N)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)CCO2 1839345675 XQAOCZGVKZLZBK-AREMUKBSSA-N 475.549 0.639 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)ccc1Br 1839400862 DINGRNNICDDFQX-UWJYYQICSA-N 491.342 0.669 30 20 JCED CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2 1839443173 ZECKCYLIJJPZMC-HXUWFJFHSA-N 468.432 0.783 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839570611 WGBHLWTTZYVSNZ-IWXLIXGASA-N 471.514 0.933 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839621941 BMEGPXHOKUVUEC-GBXCKJPGSA-N 475.590 0.362 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718481 XICMEVCPDKEQEA-JPYJTQIMSA-N 474.514 0.981 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839739193 UOJNDAHTSMNWCD-AUSIDOKSSA-N 488.545 0.614 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1839890207 NDCMQPZNNYTTPB-IFXJQAMLSA-N 463.478 0.497 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c(Br)cc3F)C2)C1 1840043802 VAGYLXXQCUSBEJ-IBGZPJMESA-N 487.253 0.885 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840107461 LVRLENJIQIFPIQ-XMMPIXPASA-N 470.526 0.406 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3O1)CCO2 1840135112 HQDCMLPVFKJMMO-CNKBHHAVSA-N 469.538 0.695 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1840175348 LKTPLUWCFOUVAG-KOSHJBKYSA-N 496.605 0.781 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c(C#N)c1 1840193267 DJMKLLKLJWAMDC-JOCHJYFZSA-N 477.539 0.384 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840362800 BKLMOPSBCFFGCB-DOVLQNSBSA-N 458.563 0.443 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1840906445 BTZIWMYKULJGNF-DVECYGJZSA-N 489.573 0.715 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841847964 AOHOAEBSBIQCJH-MRXNPFEDSA-N 475.546 0.438 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cccn1)C2 1844215527 PRFLKURHEIYJBL-QGZVFWFLSA-N 490.561 0.892 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844297193 YAFZLMFCFJTUGA-MJGOQNOKSA-N 466.579 0.700 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@H]2C(=O)N1CCCC12CN(C(=O)CC#N)C2 1846118913 KCXGVTSIJSMRSX-INIZCTEOSA-N 459.547 0.867 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1848149957 JATPUIWFYCODIL-ULQDDVLXSA-N 454.531 0.404 30 20 JCED Cn1ncc2c(N3CCN(C(=O)CN4C(=O)N[C@](C)(c5ccc(C#N)cc5)C4=O)CC3)ncnc21 21628097 CVNJWXYYEHCETM-HSZRJFAPSA-N 473.497 0.351 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(Cc3ccccn3)CC2)CC1 27379080 HOMDYHHPHBKOSH-UHFFFAOYSA-N 468.583 0.604 30 20 JCED CCCCn1c(Cn2c(=O)c(C#N)cn(CC)c2=O)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 31794730 CFAGIGWVKVRQEB-UHFFFAOYSA-N 475.509 0.998 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(OC)cc2)c1=O 501777948 VJBHMVZIULHIEB-SFHVURJKSA-N 485.562 0.670 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C)c2=O)cc1OC 507091840 YDXZACJPMUCKDN-UHFFFAOYSA-N 461.540 0.518 30 20 JCED Cn1cc(C(=O)NCC2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)cn1 508061542 XDMFOWAMHQICOI-UHFFFAOYSA-N 458.544 0.894 30 20 JCED CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 518127798 HNXDIDAFWNZAGQ-UHFFFAOYSA-N 481.534 0.939 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCS(C)(=O)=O 729671616 QWIOORUQAPJGFH-UHFFFAOYSA-N 498.026 0.654 30 20 JCED COCCN(CCN(C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 729880971 RGGUZJJTLOERCO-PYCFMQQDSA-N 453.565 0.475 30 20 JCED O=C(COC(=O)c1ccccc1N/C=C\C(=O)C(F)(F)F)NC(=O)N[C@@H]1CCS(=O)(=O)C1 809684389 AKWARSAFTAFDLG-JPVGGKMYSA-N 477.417 0.913 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1OC 916923873 OLIHKGUEWVUOET-DMFRYWHDSA-N 451.479 0.878 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOC1=O 1298199357 UCRKUWWQJAGNFH-UHFFFAOYSA-N 453.503 0.954 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1315072670 RSTGTEUPILIJAH-RTBURBONSA-N 476.559 0.662 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H](O)C1 1316102485 WMBLDSZFXMBWLO-BZSNNMDCSA-N 470.596 0.529 30 20 JCED COC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1474815418 SOHGHZQQIWHICA-UHFFFAOYSA-N 450.498 0.435 30 20 JCED CS(=O)(=O)c1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1519505520 PLXCSBYXSUGXNV-QGZVFWFLSA-N 458.544 0.889 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1545921399 SEQAQDBVCJLZHY-GOSISDBHSA-N 458.567 0.232 30 20 JCED CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1547773496 WFPQFXIJBFVYHF-UHFFFAOYSA-N 452.519 0.527 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1554374218 ZMQMKIGYORRSMH-MRXNPFEDSA-N 451.535 0.595 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1706891445 VAGLKVMIYQHOID-VQIMIIECSA-N 487.586 0.788 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1712703849 MOZFNEZJYFXUFY-SJLPKXTDSA-N 457.560 0.800 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729204089 ZSDGEJRRSPBSJX-SFHVURJKSA-N 492.627 0.960 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1731019918 GETYUUJKUKAGGE-MRXNPFEDSA-N 463.539 0.722 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777821302 BMAJFNHNLMVMRJ-OPAMFIHVSA-N 457.535 0.933 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(N3CCOCC3)cc2)C1 1778134086 QCZUUVOKJWTFPB-HYBUGGRVSA-N 455.511 0.739 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1778228497 CCMJHHHZIUFLQN-FAXAYETOSA-N 476.574 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3c2OCCC3)C1 1781259028 CQODOLJGXBZCOZ-YUVPUZHMSA-N 457.531 0.652 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5nccnc5C(N)=O)CCO4)C3)c2c1 1782196654 AQHDBJPYSKKOFL-QFIPXVFZSA-N 460.454 0.081 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782851385 ZMFWWWSFPXJDQA-CVDCTZTESA-N 487.513 0.162 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783557424 MBTHSAURGVWGSL-GAJHUEQPSA-N 487.513 0.093 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C(C)=O)CC1)CCO2)c1ccc(O)cc1 1784013284 UPTBYLICGJIQBP-HOFKKMOUSA-N 496.608 0.883 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784540069 WLLITJFIPHTWMP-VGOFRKELSA-N 460.535 0.415 30 20 JCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)C[C@@H]32)CC1 1786695943 QAAMMCWKEGQPKH-ZQIUZPCESA-N 461.482 0.468 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1)c1ccc(O)cc1 1786891451 DZSWEMNPEQDQCG-DKBNTXJOSA-N 470.570 0.462 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)[C@H](O)C1 1788250558 SJQWQNKGGLVGNJ-MNAFTKGFSA-N 493.557 0.062 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1788573749 JPYWDHGNXBAUEN-OROIIQQLSA-N 495.617 0.767 30 20 JCED COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788652645 JVKMHMGBVXVEDW-FEHIRWRLSA-N 457.549 0.401 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCN(Cc4ccccc4)C3)C[C@@H]21 1791072661 RJTKBFNNPGKVOE-CMOCDZPBSA-N 453.539 0.966 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1793829655 GLICAQUFJVMIJL-FZKCQIBNSA-N 463.535 0.646 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)C=CC1=O 1793856790 PEWMNPUNNXVMAU-XMTFNYHQSA-N 472.542 0.856 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cscn2)ccc1F 1796306730 JWXJNMQEOZVIDI-MNDZRTMASA-N 457.531 0.856 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(OC)ccc1[N+](=O)[O-] 1796720906 MARJIXFVRKFIKT-ZSBFGKGUSA-N 462.459 0.711 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCCNC3=O)c1 1797324020 YPOARLYCHONPHX-UPHUGPLXSA-N 478.509 0.414 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C 1797598987 SXCCUXYEYOBJNO-ZMMAXQRCSA-N 480.610 0.699 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797816433 KCICEVQJGDPZCO-HZKBFECFSA-N 463.531 0.860 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2)n1ccccc1=O 1797938107 CVGDAVIHRNLXIE-CVFMPKEZSA-N 450.495 0.950 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc2c1OCO2 1798476307 SUEQIILAFKJFTN-CYGHRXIMSA-N 486.525 0.930 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C(F)(F)F 1799196160 HISQQIFUCBJKRX-NPJQDHAYSA-N 477.480 0.922 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)cc1 1800284064 QOHHROQTTLCUPX-XEMDLRDOSA-N 451.439 0.532 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1801533679 OWBCAKGJTKGZMR-AXVVYFOYSA-N 487.619 0.870 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(C)C)c(C#N)c1 1801846710 SMOMRACTNMCJDM-RMYQPGKMSA-N 492.598 0.876 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1802016611 QTUSXMCLKDQBAP-KOXJRLGISA-N 463.575 0.997 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824536397 NBWPWUBYSHSSII-VKZZRYIKSA-N 460.516 0.841 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(N3CCOCC3)n1)CC2 1825665298 BKRUPXHSNXIJRD-ZDUSSCGKSA-N 455.496 0.689 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665596 SXRNCMZATCWPBJ-JSGCOSHPSA-N 478.527 0.779 30 20 JCED CN[C@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC#N)C2)C1)C(=O)O 1828990338 NPYVCKMSOURJBT-NTKDMRAZSA-N 485.541 0.805 30 20 JCED Cc1nnc(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)o1 1829332155 ABXAJSVVDLABNO-DEOSSOPVSA-N 495.492 0.461 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1829334262 GTLCUFCAVKXJLV-CYFREDJKSA-N 469.494 0.563 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)CC2=O)c1 1829636200 FNDSLFOLWBRJTL-CJAUYULYSA-N 482.537 0.808 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)Cc5ccc(C#N)cc5)CCO4)C3)CC2)CC1 1829905754 LJUYBDJMWYRJGN-RUZDIDTESA-N 481.597 0.337 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1O 1830248601 UFEJDVPBDPAFNH-MAHKGVPUSA-N 491.541 0.929 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465497 JIQVMZNBABFWDS-JTSKRJEESA-N 498.001 0.476 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CC)CCO2 1830514225 QQIHZVQNJDXIHO-JKSBSHDWSA-N 455.552 0.683 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)C1 1830715200 ZNUGAXPLUVGYFX-WYADAEROSA-N 453.536 0.833 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)[C@@H](F)C1 1831135658 IJGZWQPUXVLVAJ-SAHWJRBASA-N 497.520 0.126 30 20 JCED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1831277487 ZOXRFBBBBDVHOK-FQEVSTJZSA-N 468.432 0.783 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1831391768 GMKIURQLGFMRKS-MBSDFSHPSA-N 455.515 0.454 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1831406865 JLGBXFMREFUDFA-QFIPXVFZSA-N 464.519 0.751 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c(C(F)(F)F)n1 1831567939 OIYCPSJYGLOJJT-IFXJQAMLSA-N 483.403 0.150 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](NC(C)=O)C(C)(C)C)CC2)CC1 1833400394 ZFYLUCIJWNGLNH-XBKFQHLESA-N 475.634 0.967 30 20 JCED CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1C(=O)O 1833608817 TXCOOQOJNXWNRA-QFIPXVFZSA-N 470.486 0.746 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1835102174 ICNLZEIZWXWSSV-DEOSSOPVSA-N 452.463 0.925 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1835354816 DZKRBPQFLJWZSC-HSZRJFAPSA-N 454.483 0.433 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1835680633 ISRUUWGRQVPUHE-SBUREZEXSA-N 458.563 0.253 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1nc(N)n[nH]1)CCO2 1837274834 TZLQKVXHNVUVID-QFIPXVFZSA-N 476.654 0.827 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(C)(C)C 1837440232 GMWHSRSYIHGMBY-YRWBNLPSSA-N 465.595 0.465 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1837443392 IMHPIWHTRICFHO-XMHVBLFMSA-N 456.503 0.765 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837443704 GLGXQCPSLIEOQD-SFFGGSCWSA-N 488.589 0.215 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cn2[nH]cnc(=O)c12 1838469032 YHTSUEZZOXTFOD-VWLOTQADSA-N 490.520 0.515 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C)nn4C)C3)C2)c1 1838580775 SAVNWNPZFPVLSX-HSZRJFAPSA-N 453.499 0.993 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)C3)C2)c1 1838740786 UABFEBGSDKMOCK-JCYRPKCISA-N 493.564 0.592 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)cc1 1838951862 MDBMCQVCWXWQFO-XMMPIXPASA-N 474.477 0.345 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCCN(C)C3)CCO2)C1 1839069249 SQTFDARZMXPOJW-ZYLNGJIFSA-N 492.617 0.701 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n[nH]1 1839187476 FOQSMFQZHXQLRE-QHCPKHFHSA-N 455.490 0.971 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc([N+](=O)[O-])c(O)cc3C)CCO2)C1 1839465681 ILBIZAHIRHQKKM-OPAMFIHVSA-N 461.471 0.717 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488671 DVIOSLPHSRYBGT-ARKLPKAPSA-N 466.498 0.544 30 20 JCED COc1ccc(OC)c(CCCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043646 MABWJZXYCATFIY-DEOSSOPVSA-N 474.510 0.571 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840164596 BVUCYAREQVZKFO-GCKMJXCFSA-N 473.592 0.397 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1840170440 GHRRKPWNANPSIS-VWLOTQADSA-N 465.506 0.990 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1)c1ccc(O)cc1 1840221511 VQRJQJNKDJCHLF-WWEVIYMKSA-N 471.510 0.454 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1840346615 GERTUYLLJOJXQM-ZZTJDXDDSA-N 477.562 0.875 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c(C#N)c1 1840410297 BWNZZNXCOMUMBO-DEOSSOPVSA-N 481.509 0.435 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCc5cnccn5)CCO4)C3)c2c1 1840458817 BFEGUTWLPFLBHU-XMMPIXPASA-N 475.509 0.927 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(C(=O)OCC)CC1)CCO2 1840817543 GTIYBVGNIVKFSL-XMMPIXPASA-N 495.573 0.821 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840820661 CZYJZFGXSVVEOF-JOCHJYFZSA-N 454.487 0.075 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCC)C2)C1 1840909201 OKMXHSPEZBNELW-HTAPYJJXSA-N 453.536 0.396 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCNC)C2)C1 1840909313 QSYIIYXFDOIIEL-FDDCHVKYSA-N 466.579 0.359 30 20 JCED COCCOCCOCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)CCC#N)C2 1846253829 NYBVUIQDPJXSQN-UHFFFAOYSA-N 499.605 0.613 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCCCN2C(=O)CS/C2=C\C(=O)OC)cc1 211378553 RXYCUNMEVMSBKL-ATVHPVEESA-N 452.510 0.735 30 20 JCED CCS(=O)(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 497898080 KYQKDIBNLQQPDS-UHFFFAOYSA-N 454.574 0.453 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 516828291 ADMHJRPSZKOXDB-UHFFFAOYSA-N 498.467 0.977 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 522530398 BHBULNGCCLFUKA-UHFFFAOYSA-N 466.519 0.555 30 20 JCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(N3CCOCC3)c(F)c2)c1=O 727462939 AHUMBKXFJUGYNO-UHFFFAOYSA-N 471.554 0.776 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 730664792 XBQKHPQWFSUYCC-FXBPSFAMSA-N 489.645 1.000 30 20 JCED Cc1cc(=O)oc(C)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 792642906 JTJSKFYDLLEBPP-UHFFFAOYSA-N 459.480 0.818 30 20 JCED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 824404356 OOEAQOKZOZHFDE-HNNXBMFYSA-N 452.471 0.621 30 20 JCED O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 918592698 PIMHZLPWAJMELY-UHFFFAOYSA-N 484.494 0.244 30 20 JCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1296652896 WMJZTUDAEPMLMJ-FOIQADDNSA-N 453.494 0.488 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCCCCC2=O)C1 1302480112 QMWNLWFVWJCBKJ-UTKZUKDTSA-N 497.597 0.846 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1516854206 VWSWJYOMDCVDGS-INIZCTEOSA-N 462.532 0.667 30 20 JCED Cn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1CC(=O)NCC(F)F)CC2 1554364991 LPKBGALHJJYENG-UHFFFAOYSA-N 454.441 0.854 30 20 JCED COCc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)ccc1F 1555307913 XTOROLOZWJCRLV-PKOBYXMFSA-N 494.549 0.674 30 20 JCED CC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1693906460 GXRGIXPHWRKJAU-QFIPXVFZSA-N 455.567 0.915 30 20 JCED COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCOCC1 1749405939 YUAYFPIQIBFSOD-WMZOPIPTSA-N 481.623 0.508 30 20 JCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNS(=O)(=O)CC)CCOC1 1765913831 QZYKUHOVFWCAFB-FXAWDEMLSA-N 467.596 0.046 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1778135934 BKMNVLDYGFGHFX-NMMYMHLASA-N 455.511 0.612 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1778969511 NTDHOVRHGDZWSP-LZDTVADOSA-N 481.590 0.760 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2)C1 1778975305 GEFDVZQMKNGXIS-SRGWNRLKSA-N 497.589 0.846 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1779100184 UECDQEUPARRSHP-RXRGDLQPSA-N 450.536 0.748 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2)N1CCN(C)CC1 1780639680 RJKXIEYSMLYBJY-YOSAUDMPSA-N 462.639 0.418 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1781090642 UOEDVYUKKGAFIY-CJFMBICVSA-N 453.587 0.957 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C3)c1 1781103389 VLHVBOCSHJXOKO-YLJYHZDGSA-N 468.422 0.550 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1781290194 GBGQXXOHEXZJAS-ZMPRRUGASA-N 466.535 0.784 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2 1781695483 DQFUZUHNJLXCIG-QZTZHPFYSA-N 478.590 0.895 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781969775 MQWGBXJXEQNNHK-VBKZILBWSA-N 468.963 0.983 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(n3ccnc3)CCN(C(=O)OC(C)(C)C)C1)CCO2 1783055515 WPRHOELWWAGNCI-GOTSBHOMSA-N 457.531 0.682 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)ccc1Br 1783168949 SSBPEWSBBYSEKN-QRWLVFNGSA-N 461.316 0.900 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1783504900 VJUCMNYPUQARAA-PPYVPILRSA-N 491.585 0.737 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783931812 LKAVTHYMJSCEAO-XARZLDAJSA-N 483.562 0.902 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2)NC(=O)OC(C)(C)C 1785305699 ZVPAIWHXIXMJJS-HOIFWPIMSA-N 477.566 0.924 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786361961 AQVAUFFKTTYMLV-IUUWJXCHSA-N 462.547 0.763 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787496717 UXXJIPLAQOCXBY-OLMNGRFOSA-N 464.592 0.050 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1788658828 PEJSGCDOGOTTCS-NPCPIDJVSA-N 488.545 0.139 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)c4cc(C)on4)C[C@@H]32)c1 1789258675 PIXJAGZOELTEKL-LRQRDZAKSA-N 481.509 0.887 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2C1 1789270247 IWCGMCVFMKXHGV-KANFNMMFSA-N 462.934 0.956 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)C1 1789808407 COSMOJRCUIJKCY-OIGVQNGMSA-N 487.557 0.707 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1 1790848984 PNFFWVSYKGGSIT-FJIDUMEYSA-N 450.536 0.019 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1791771357 GYNHLTPOHKDEGI-VJANTYMQSA-N 499.630 0.966 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(C)=O 1792539753 ZKDBUZUPDFMEKH-RHQZKXFESA-N 464.563 0.407 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N)C(C)(C)O 1792636098 VBRRMEUSIJMJDL-QKPAOTATSA-N 452.552 0.790 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1793089147 JSKOFFKRSZQOAP-PTIUUAQKSA-N 479.574 0.728 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1793340648 CJVWSEXCBSUSRA-XVMXLUHGSA-N 479.574 0.232 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1F 1793670534 IYTKPZKVDMIBQE-UCIFAOBLSA-N 498.552 0.740 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncn1-c1ccncc1 1794461381 SCWRDJZPTNTSPF-VQNZHGJDSA-N 450.499 0.329 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)C1 1797122110 ZTHSWKXADALTCD-MTHXSQLBSA-N 476.574 0.888 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/N3CCCCC3)ccc21 1797742212 KRKVFJJCYYZVTE-RAHWQWPXSA-N 468.558 0.552 30 20 JCED CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1799254363 AKOLWMXTXCVAOT-JCEKIRTPSA-N 451.520 0.603 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1799365314 PKCICJQUQAUREL-SQDXWYPISA-N 459.609 0.806 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800701061 UBFSWPWTYSIDQQ-AXVVYFOYSA-N 475.542 0.701 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1801283699 GVTODAXGDCGEGN-MHXAIHSWSA-N 464.526 0.161 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)C1 1801983210 OEEHEKVMXGRPPI-MDMSPXHWSA-N 462.547 0.498 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnn(C)c1)C2 1802126046 HNIRSBPNQZPLDT-DMUMMCEESA-N 459.547 0.469 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)CNC(=N)N)[C@@H]1c1cccnc1 1814207402 IOHJYPNMGDKADW-ZIFCJYIRSA-N 471.562 0.487 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824974527 JVYMMBALMORHRG-ICSRJNTNSA-N 455.621 0.928 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCN2C(=O)OCc1ccccc1 1828946177 CSJPUSQOUKQPJZ-BMXCNYIRSA-N 497.596 0.892 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)NCC(C)C)CCN2C(=O)OCc1ccccc1 1829058788 OTZBRWAULKGTGU-DEOSSOPVSA-N 454.527 0.844 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1829334252 FZPRJWZMLQXFIA-DEOSSOPVSA-N 467.478 0.506 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)[C@@H]1SC(=N)NC1=O 1829631857 MHZXYHCKAIXQBD-GSMBIVSISA-N 499.593 0.750 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1829854416 LDCMBGGUMQVQQN-ZVLBRCSDSA-N 463.556 0.858 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)no1 1830458091 KAOZODKYVCZNIX-HSZRJFAPSA-N 453.499 0.881 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)c1 1830460217 FRLAIXDCSHTHDV-XMMPIXPASA-N 470.526 0.790 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831146112 ZYYINDXNURQSIS-CPJSRVTESA-N 473.570 0.788 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831222819 HXSAWEDWOZTHKF-DHLKQENFSA-N 471.529 0.743 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)C2)C1 1831398712 JOQNFBBIFBEQKL-HJPURHCSSA-N 491.497 0.720 30 20 JCED Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831811810 MWDONWNLKKJLHO-XMMPIXPASA-N 458.559 0.806 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1832111992 SFNIICCAYYSCGO-HSZRJFAPSA-N 479.574 0.618 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 1833464871 ALOPKQNSEYWZDZ-SFHVURJKSA-N 455.559 0.421 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3cc(F)cc(F)c3)[nH]n1)CCO2 1833658555 MCTBCMDDXPGZPH-JOCHJYFZSA-N 474.420 0.513 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C3)C2)c(O)n1 1833696189 VCNWFYQQQHWTDM-SBUREZEXSA-N 495.598 0.657 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CN)CC3)CC2)cc1C#N 1835068614 NPANGCWNFPANMD-NRFANRHFSA-N 456.591 0.817 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc4c(c3)OCO4)CCO2)C1 1835177567 DEYBXKZYESLPEH-HOYKHHGWSA-N 458.511 0.843 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2)c1cccs1 1835410092 SORHBUMSWSKOSW-IOUFHMPJSA-N 461.540 0.566 30 20 JCED CC(C)c1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)no1 1835674668 CQYDJRWTXSUFGN-QFIPXVFZSA-N 462.551 0.474 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c(C#N)c1 1837254458 COWIFLLGJZDAMX-KBDOHKNDSA-N 482.537 0.401 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1837390809 DCFCEXVGMDLEGG-WMZHIEFXSA-N 480.583 0.733 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837399387 SDQSJBZMRWKVHN-UZUQRXQVSA-N 462.547 0.568 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837528658 MKSKBUXHKIDFIB-KEWGYOLDSA-N 472.502 0.557 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837529393 SJSOUEOTBIBILC-GFODGPHOSA-N 472.502 0.328 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1837531034 WHZPSWQUNPAQND-GSJUJJHQSA-N 498.540 0.866 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533097 KAAPKLFFSUJOTF-UJRYQCAWSA-N 486.525 0.922 30 20 JCED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(-n2nccn2)c1 1838630637 XNTUWNLMXBUORS-VWLOTQADSA-N 495.584 0.928 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)C3)C2)cc1 1838950323 JEJRUHKQIBWDQZ-BVZFJXPGSA-N 493.520 0.635 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c(C#N)c1 1839131155 PJXFKCJOXKSPTH-HOYKHHGWSA-N 470.526 0.092 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5cccnc45)C3)C2)c(C#N)c1 1839132781 PISJWYPFHINQGT-RUZDIDTESA-N 490.520 0.922 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1839389091 VQFGPUWWWMODNK-WDKBRQFPSA-N 461.515 0.804 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CN(CC)CC)CCO2 1839679276 XPJSMSNTUNQKPC-AUSIDOKSSA-N 453.580 0.930 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2 1839761904 JAQJZWUJGMBZNT-NRFANRHFSA-N 452.504 0.296 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)cc1 1839779508 ATZUGPCECGHIEE-UGKGYDQZSA-N 461.540 0.134 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)cc1C#N 1840233441 UFDSHOXRXUGCCI-UQBPGWFLSA-N 484.553 0.942 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1 1840812747 JJRDBTJFNSSPBW-HSZRJFAPSA-N 475.567 0.783 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819711 AWYFQFYAHMVYEA-ICACTRECSA-N 463.556 0.552 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC)C2)C1 1840906739 ISAUGFWMOFIRMT-UZUQRXQVSA-N 467.563 0.784 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCNC3=O)C1 1842562845 UUZCCOVWHACPIH-OAHLLOKOSA-N 472.546 0.913 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1845132254 UHVRMIAYNDVQRC-QUCCMNQESA-N 478.590 0.537 30 20 JCED N#CCCN(CCC#N)C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 10931551 QLGGBQNVWQWPMP-UHFFFAOYSA-N 452.464 0.659 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2C)c1=O 489064715 FKTUDRWLIMVUFB-UHFFFAOYSA-N 454.596 0.970 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(c3ccnn3CCO)CC2)CC1 507676783 MTJLRCSKAOHINR-UHFFFAOYSA-N 486.598 0.460 30 20 JCED C=CCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 514348489 SQNRJJSCLHKZCZ-ICSRJNTNSA-N 453.547 0.919 30 20 JCED COc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1NC(C)=O 516439004 WKGRYQCSEVZODI-UHFFFAOYSA-N 485.522 0.997 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 523089612 RRYCLPKYTMCLND-UHFFFAOYSA-N 458.496 0.216 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC(F)F)cc2)c1=O 604269890 HPGZNAQKYVWQRG-UHFFFAOYSA-N 462.478 0.381 30 20 JCED C=CCn1c(N)nnc1SCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 641980735 YGCWQEGWQRNDGE-UHFFFAOYSA-N 452.562 1.106 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 725763454 LUJZHKSPHWPIFX-UHFFFAOYSA-N 459.572 0.260 30 20 JCED N#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1Cl 728915511 VJJFYTHXPQCKNC-INIZCTEOSA-N 474.992 0.675 30 20 JCED N#Cc1c(NC(=O)CCN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)sc2c1CCC2 728915517 VRHRQMJUZKDKFY-AWEZNQCLSA-N 486.641 0.572 30 20 JCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915368994 UILGJTHQOINAJC-UHFFFAOYSA-N 489.510 0.228 30 20 JCED COCCNC(=O)[C@H](C#N)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 917424091 BOZDVNGCLZURAT-OAHLLOKOSA-N 464.500 0.241 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 918422994 FOMAWHQEYAEECW-CVIUTVQRSA-N 499.615 0.226 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)NCCCN(C)S(C)(=O)=O 919098952 VJXHJOGCUDFXPZ-UHFFFAOYSA-N 450.521 0.091 30 20 JCED COC(=O)c1oc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C 1208271787 NVTBLHUZDKOPSQ-UHFFFAOYSA-N 453.498 0.942 30 20 JCED CC(C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1287148401 GJGCGOKYBBAJOG-WAOWUJCRSA-N 481.623 0.195 30 20 JCED Cc1nn(C)c(N2CCN([C@H](C)C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 1307693014 RJLMJDVUCOMQPI-GOEBONIOSA-N 459.576 0.636 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N=C2NS(=O)(=O)c3ccccc32)CC1 1318058462 UPMUMKIWOZDKRU-UHFFFAOYSA-N 452.514 0.957 30 20 JCED Cn1cc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2=O)cn1 1354911723 UUCYWHVVJMHALF-UHFFFAOYSA-N 456.528 0.568 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507854720 PKCKEUGZXFTGDF-ZIAGYGMSSA-N 467.017 0.645 30 20 JCED CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1509787570 CGMGPNAGLXIQGU-INIZCTEOSA-N 475.575 0.723 30 20 JCED CCNC(=O)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCC1 1515975004 USABUHHLLQYDLD-NVXWUHKLSA-N 478.623 0.371 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1545148393 LNBJKOCPFGOAEM-FTRWYGJKSA-N 468.580 0.281 30 20 JCED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1561090242 MRSIBDSMZNGMDY-UHFFFAOYSA-N 452.505 0.378 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCc2ccccc2C1 1692804721 TUMUASMSHZNJKS-QFBILLFUSA-N 459.576 0.675 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1712714181 QRFKKBBQSVLAIZ-GOSISDBHSA-N 487.586 0.869 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCC2(O)CCOCC2)C1 1731012800 OZHPUQCERYEJBR-SFHVURJKSA-N 482.607 0.673 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(Cn2cccn2)cc1 1741944326 MFQFEYFABRQVCS-APWZRJJASA-N 470.559 0.910 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1C[C@H]1C 1751233733 YRMVHNYYPSWLLC-FXUDXRNXSA-N 459.580 0.921 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1770740808 NXGGXJWNJIBAAS-NRFANRHFSA-N 496.540 0.665 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1777994546 UQSSCLSFKJTLGH-UUMVVRSSSA-N 465.510 0.305 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cccnc2)C1 1778055554 LELSOOSGWDADDQ-DCLXLUIPSA-N 458.559 0.975 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1779444556 BVDLRHDDTTUSBB-SZTYNRIPSA-N 485.497 0.983 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780200579 DQASLHKTYZNWLE-HXOBKFHXSA-N 471.514 0.695 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1781061952 CCIOOZAESGNXKE-UFNANVBGSA-N 455.577 0.913 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781247392 IQHKGRYJYWGYPR-IXFSTUDKSA-N 464.563 0.648 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1781311377 UGACWBMMNIERFF-HYBUGGRVSA-N 482.541 0.979 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782197831 DURQAJKENAZYKS-FCHUYYIVSA-N 455.471 0.494 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783176707 AYWLLLSSJMXYTC-OSPHWJPCSA-N 491.589 0.882 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783633011 ADDFSCBIZNXMPS-BOGGJWPESA-N 490.601 0.962 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783925018 YPJAGHJQBTXSCX-AOMKIAJQSA-N 467.567 0.734 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[C@H]2C1 1784593420 QESPOUUTGXSYCS-TXTZMMAHSA-N 466.579 0.947 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1785593550 AXVSEWZWGYBXMN-GQWLDOHISA-N 471.576 0.330 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1 1787198874 HIIBTKARHQCGEQ-CQDKDKBSSA-N 474.461 0.610 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C[C@@H]21 1791266731 HWQJPKQTFXDSAQ-LQJIQPLVSA-N 497.639 0.619 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]3C2)c(C#N)c1 1791773676 OBEPSOIOKVUXEY-VDGAXYAQSA-N 463.556 0.524 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1792147249 MSXZXOHATOHKBH-WFXMLNOXSA-N 488.504 0.633 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)CC)C[C@@H]21 1792255252 CFGAKJRXBVRSEH-SPOLIRPYSA-N 478.590 0.797 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1792884801 ZMMIIXMDWASKFS-XAPVIXHLSA-N 486.569 0.966 30 20 JCED O=C(Cn1nnc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1793713286 NESSUSBFBCZSTL-FEJSZKPUSA-N 451.527 0.720 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc[n+]([O-])c1 1794251842 ZWCFUQRVZFFXPE-FCGDIQPGSA-N 458.515 0.440 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795454037 UBKPPLVRCITBFE-AGYLXNLDSA-N 476.574 0.668 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795580322 MZWFOAKZAWVXMW-SFNKJDCFSA-N 478.594 0.275 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O)NC(=O)OC(C)(C)C 1795645474 HVRCJJGOAQLZIL-QOSLBHJFSA-N 482.578 0.498 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(C(F)(F)F)cn2n1 1795969821 XGKHRIHFNQZHEC-ZJOBFFGXSA-N 465.432 0.990 30 20 JCED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795999246 FAFITURPTMQHHA-DRXBFXEBSA-N 484.504 0.659 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)nc2O)c(C#N)c1 1796347775 NQPDYYGQSXGBOU-CCWDJLKJSA-N 453.455 0.214 30 20 JCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)c(C(F)(F)F)n1 1796459207 FTMXWKOLWGQWPG-MUJYYYPQSA-N 499.515 0.954 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ncn(-c2ccccc2)n1 1796540878 YAKCVRDALKPPLN-FFECZHCKSA-N 451.531 0.942 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnn3c2OCCC3)c(C#N)c1 1799936081 QFBLVUQFOURMJT-OPMZPASUSA-N 465.510 0.992 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C)C1 1801558427 DNEDJUKEZKBKKZ-IYWMVGAKSA-N 462.591 0.834 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801991579 VVCAXKIIOBEGKB-QKPAOTATSA-N 485.559 0.041 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1802488549 YCMILWXYTAEHPZ-GLPQSPQZSA-N 463.498 0.149 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2n[nH]cc2I)[C@H]1c1cccnc1 1810820559 JSZCMNQXFGDKSF-SJKOYZFVSA-N 493.261 0.817 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)CNCP(=O)(O)O)CC2 1819774417 NLRDOCKZTCKMIC-NJDFMEINSA-N 458.481 0.252 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)c1 1829181530 LQKDHSOWOJNSAJ-DEOSSOPVSA-N 493.524 0.620 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310491 ZMBJNTNORZWSIL-JPYJTQIMSA-N 453.499 0.488 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)CC2=O)c1 1829636196 FNDSLFOLWBRJTL-AVRWGWEMSA-N 482.537 0.808 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1829859262 CITUSVVVRLJXGH-ZJSXRUAMSA-N 472.542 0.480 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC[C@H]5CCC(=O)N5C4)C3)C2)cc1 1829906024 QQZAQWXTZIAZFR-TVZXLZGTSA-N 480.565 0.958 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)cc1C#N 1829961274 KPQIHIMFDBJGMG-DFBJGRDBSA-N 484.553 0.942 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1O 1830248277 LJNBXTQXVPXFOW-LPHATQMZSA-N 474.558 0.871 30 20 JCED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)cc1O 1830457938 HJJWTVUFKDDEGV-HSZRJFAPSA-N 453.499 0.700 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)C1 1830715813 RGXUITPSVUIFMR-XXTAFAAKSA-N 461.515 0.744 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830882439 SZARDBJZXCCHTE-VGOFRKELSA-N 487.619 0.638 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](C)S)C4)C3)CC2)ncn1 1830957695 QCOBEFHGXSOAAH-AOMKIAJQSA-N 479.603 0.476 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1831401418 BIAKDRJZNWTYHL-MHECFPHRSA-N 458.511 0.510 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](S)C(C)C)CCO4)c(C)n2n1 1831491057 UJFJTPWFSPSYBG-GHTZIAJQSA-N 462.576 0.766 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831673636 TWLQDPMREBZUEZ-ZWKOTPCHSA-N 465.547 0.970 30 20 JCED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cs1 1832971772 PBXRQQYIADKYSE-MYVUVFRBSA-N 466.560 0.979 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)c1 1833270602 ITKCXOJCAQLTGB-XMMPIXPASA-N 450.495 0.894 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(N(C)C)c1)CCO2 1833364778 DMGHNKYSHNYIRG-QHCPKHFHSA-N 460.531 0.727 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOCC3)CC2)CC1 1834637749 PQDNDOGDEIYRGL-NRFANRHFSA-N 450.624 0.853 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1835362601 PACSGRTZVLMNSF-DJJJIMSYSA-N 455.437 0.903 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1835681001 RGSLLVYUULTBQE-IECBHUPTSA-N 475.590 0.126 30 20 JCED CC(C)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(C)C 1835897844 HFTGGYYFILLEJF-YCVNHZORSA-N 468.595 0.994 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(I)c(CC)nn1C)CCO2 1836233468 VAVZVXQPICBMDU-GOSISDBHSA-N 486.310 0.290 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nnc(Br)n3c1)CCO2 1836256264 IGONEELQSNBVQG-SFHVURJKSA-N 463.292 0.475 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(C#N)c3)CC2)CC1 1836259481 ZLTAMFABVDXNCP-QFIPXVFZSA-N 455.559 0.895 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837047240 ZYRSWFRLXDFRKK-QGZVFWFLSA-N 450.536 0.110 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1837524551 JCFOZGUFVSFHCE-OJIPKMRZSA-N 486.529 0.417 30 20 JCED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c(C(F)F)n1 1837528177 ABNAXYNQHGBGGY-PGKLTPNLSA-N 485.488 0.957 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837737503 ZQYZCZVTIXLEDX-UGKGYDQZSA-N 478.933 0.433 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838768485 JOPMNMOYNUEUQH-HXUWFJFHSA-N 494.430 0.844 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)cc1O)CCO2 1838889170 ARANSJQOBNBXIQ-QHCPKHFHSA-N 462.499 0.980 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1839175158 SDSHUETWISDUKH-DEOSSOPVSA-N 486.525 0.858 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839227671 IVAMSZPLYJHQFD-DENIHFKCSA-N 473.567 0.313 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839727065 AGUPAQCSOSWACU-UMXIMWEHSA-N 455.555 0.492 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)cc1 1839779897 SJJFWTVRSMPBHT-NZQKXSOJSA-N 475.567 0.524 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C(F)(F)F)c3)C2)C1 1840044787 XWWJFJRTMPHLCV-HXUWFJFHSA-N 472.391 0.931 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840045257 ZNBRGIXAYBFAJB-HXOBKFHXSA-N 479.530 0.390 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1840162264 QWEKDDXYLXFEGN-RBZFPXEDSA-N 451.501 0.918 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840171445 GVUXKGICBYZBOH-JTSKRJEESA-N 453.536 0.655 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1)c1ccc(O)cc1 1840221640 DIBOZDSOPQSAFR-DZRGJMJISA-N 469.538 0.624 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815587 ZWYVNKFAQFZMKS-JDDNKDTNSA-N 456.499 0.907 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(=O)c4ccccc4)C3)C2)CCC1 1840815994 MSZFSKVRNPPLLN-XMMPIXPASA-N 454.527 0.957 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)nn1 1840819726 BREXUILHUGRZEL-XMMPIXPASA-N 481.509 0.896 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCNC(=S)NC)C1 1844268206 HLYUTYPEMNICRQ-OAHLLOKOSA-N 451.593 0.590 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1845201593 UOMQVAICPGHYFC-MRXNPFEDSA-N 460.531 0.974 30 20 JCED N#CC1(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CCCCC1 10690299 TXLIWRCUPURLEY-UHFFFAOYSA-N 462.528 0.978 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 25963335 CYTLWMWKKPLGCN-UHFFFAOYSA-N 478.914 0.693 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 514328948 FELLBRUYGXYVJM-IRXDYDNUSA-N 486.616 0.263 30 20 JCED CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)CC1 516014523 YKELUCSHXXOETA-UHFFFAOYSA-N 497.581 0.177 30 20 JCED C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)[C@@H]1CCS(=O)(=O)C1 520421429 CLOJFNDBIBPVCG-GOSISDBHSA-N 469.585 0.355 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O 588156537 AYRNZKLUGAPMFL-UHFFFAOYSA-N 485.591 0.457 30 20 JCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(OC)nc3)c2=O)cc1 608884576 NKOUVHGJOMNEIM-UHFFFAOYSA-N 480.546 0.967 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)CC(C)(C)O4)c(=O)n2C)CC1 609219942 OAXJSVNKVPPXFJ-UHFFFAOYSA-N 452.580 0.827 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)C1=O 726042472 CJDGPSBECLDHTA-HNNXBMFYSA-N 459.455 0.887 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)n(CC)c2C)c1=O 728556990 AVSUOISPHPMSOJ-UHFFFAOYSA-N 458.584 0.746 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CC1 728589600 ITDCBDYGSAZKLB-KDURUIRLSA-N 496.655 0.409 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)c2cccc(C#N)c2)cc1 916808653 DOOQQTYEAOGROM-UHFFFAOYSA-N 450.498 0.642 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 919315858 OISRGDRJXQOJEX-OALUTQOASA-N 498.579 0.211 30 20 JCED COCCOc1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919739373 MGPQFQCOUGSJJH-UHFFFAOYSA-N 488.522 0.668 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1=O 921050003 PZDWJCMPOKVTPG-UHFFFAOYSA-N 459.934 0.542 30 20 JCED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)C1 1555985867 WLADULNDVHKIHV-GUYCJALGSA-N 457.557 0.050 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1610273426 ZLKLGKKGYZHXBD-SFHVURJKSA-N 472.575 0.701 30 20 JCED N#Cc1c(NC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)sc2c1CCCCC2 1657880053 JYZIWJXQBBZKSB-DLBZAZTESA-N 452.602 0.603 30 20 JCED CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1708633049 ITSYRDFMYLIUER-CLOONOSVSA-N 480.617 0.920 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(C2CC2)C1 1723779347 LNEVPEINAGGHLM-NUJGCVRESA-N 451.597 0.834 30 20 JCED CCCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745802089 STDBVMQJICKEAW-INIZCTEOSA-N 466.550 0.303 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021464 QDBJBSMBCOVYBF-XWMMLSLGSA-N 453.540 0.131 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781044674 DBSSKZSCICMJBC-ORQYLMBXSA-N 466.579 0.399 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1781294720 IECPADOTRSOITA-OSPHWJPCSA-N 490.557 0.601 30 20 JCED O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1781560593 SGOAOZZPHQYNSE-KMDCIRQPSA-N 488.545 0.742 30 20 JCED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)nc4cccnn24)C3)CCC1 1783125166 JWQHGAVXOVAADU-UZUQRXQVSA-N 450.499 0.911 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783266333 YZCYANZZXRJZTB-LQVNQTCBSA-N 475.542 0.986 30 20 JCED CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567805 AQQRIDGMLGLWBK-AOMKIAJQSA-N 451.520 0.844 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1783994162 UBPYPKNJMIROKC-LAQRGFTBSA-N 461.519 0.365 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)ccc1Br 1784116091 LORCAIFPZFZHIJ-NRFANRHFSA-N 487.310 0.689 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC5CC5)[C@H]4C3)csc2n(C)c1=O 1784385084 FJLBMCTYZAPBKG-SZMVWBNQSA-N 484.578 0.234 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1784486779 OPKMOJKXSVGYOJ-TUFLPTIASA-N 492.617 0.557 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(-n4ccnc4)ccn3)[C@H]2C1 1789374107 RPGCTMRPPQAIEE-FQUWNOGJSA-N 464.526 0.719 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)[C@H]2C1 1789702763 IOGWPLBJNNPQRJ-DHMWGJHJSA-N 480.612 0.139 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n(C)n3)C[C@@H]21 1792261872 SBZRZFLBXKIAKY-CUSZFKRNSA-N 475.546 0.636 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 1792529202 GDHQTJZPOHBVEU-QIEVIBBNSA-N 460.531 0.755 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1792795393 KMNZSMIEXSSZRW-HMBPXDFOSA-N 484.619 0.788 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2 1793343892 AHCMDBLWDYKECM-LFDQFFAPSA-N 455.555 0.515 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795274559 DQIIZZZOVJKUGT-BBIADKPPSA-N 467.547 0.881 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798431746 YLCRBWDLPPOZIM-LWVQOSFQSA-N 451.568 0.982 30 20 JCED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)nc3cccnn23)c1 1798498344 NTABLFMUAWWLEF-USGNIVHTSA-N 462.441 0.617 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CC2 1800100598 OICIZMZZNINIFP-NOOKGOPLSA-N 452.511 0.633 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C3)C2 1800326866 WEJUHZSSYQVYQT-PDOICOKGSA-N 480.525 0.725 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2)c1ccc(O)cc1 1801054000 XJSLHNYWBWNDAP-KKYITRMCSA-N 471.554 0.630 30 20 JCED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1801883593 ROCQTOXNHJTVRV-OPVJXMOQSA-N 490.582 0.460 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801987782 INSPNDSISJCMRC-MYGCXJKPSA-N 461.515 0.596 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nnc(C)s1)C2 1802126590 KSCXKPAXYRKILY-RCJHGTSTSA-N 477.587 0.895 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1807947121 YMUBMGXASMPWKB-YLJYHZDGSA-N 469.465 0.713 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1810559817 OOHNJIBQEFZMJJ-SLFFLAALSA-N 458.563 0.520 30 20 JCED Cc1nn2cc(CC(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)nc2s1 1812873853 HGXFGIODQOQHNA-MGPUTAFESA-N 452.496 0.831 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814929848 ZYVXTVXCLXDBDW-UKRRQHHQSA-N 489.602 0.812 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2 1819856447 RXIJWYLKPYLYCX-HOCLYGCPSA-N 479.559 0.832 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2)C(=O)C(=O)O 1824674600 SNAIDSOREMSLLU-HIMBNPAISA-N 467.504 0.127 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828965449 YGYLDRADKUEZSC-NTKDMRAZSA-N 458.559 0.970 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829132777 DTOPVSCENOPSTK-SFFGGSCWSA-N 487.557 0.221 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCN2C(=O)OCc1ccccc1 1829243620 FTRHRINBPSQQSC-DEOSSOPVSA-N 463.494 0.329 30 20 JCED CCC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)COC1 1829261457 RXNGYGAQXCVBIS-VWLOTQADSA-N 483.521 0.953 30 20 JCED Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n[nH]1 1829334319 HTAWPHOCYRGVSS-DEOSSOPVSA-N 479.493 0.872 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)cc1 1829635530 KFFPVCPSCDYVIQ-HSZRJFAPSA-N 452.515 0.629 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1831398583 HKDVNZKKRLCYIG-HJPURHCSSA-N 459.499 0.459 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1831411594 ZYAHOHILJGIXQA-XMMPIXPASA-N 476.574 0.726 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1831492597 MTHMPTGHIZAKAK-WBMJQRKESA-N 451.471 0.848 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832250568 BUPVIKTUZIQION-SXMBHVFSSA-N 499.414 0.327 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(Cl)c(CC)nn3C)CCO2)C1 1833590110 AXZCBHUOTHVZPL-VFNWGFHPSA-N 452.939 0.744 30 20 JCED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)CN4C(=O)CNC4=O)CC3)CC2)c1 1833675933 LSLYIEMCOCWWCW-UHFFFAOYSA-N 480.569 0.614 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834326841 OWAQDFXGSOTJOW-INIZCTEOSA-N 458.563 0.403 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OC)c(C)c1)CCO2 1834580156 NRNRQNFKSVRJCE-HSZRJFAPSA-N 461.515 0.978 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(F)cc3)CCO2)C1 1834962516 RMAXFCYIQUVFND-QHCPKHFHSA-N 462.522 0.943 30 20 JCED O=C(NCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1cccnc1 1835095804 FQERMFJWSPYGNS-VWLOTQADSA-N 462.506 0.320 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346050 OWYBAHPWFYCTIA-ZHRRBRCNSA-N 466.535 0.022 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835448404 BVJGIZCNVMZLQO-DEOSSOPVSA-N 472.542 0.116 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836051526 VJCSSRJQBTVQRK-UHFFFAOYSA-N 491.552 0.711 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)ccc12 1836253708 JUDYPQIQEPTKON-QFIPXVFZSA-N 455.471 0.495 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1836472750 WTEXHSCUXJENLM-MBSDFSHPSA-N 485.578 0.311 30 20 JCED O=C(C#CC1CC1)N1CCC(OC2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1836823713 JKGIPYXZZBAAQS-UHFFFAOYSA-N 451.589 0.824 30 20 JCED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)c1 1837076663 FYGRFCDIEZNPMY-UHFFFAOYSA-N 453.499 0.722 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837524492 IJLOFIWNRBAFRX-DNSLKSLXSA-N 462.503 0.446 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1837527081 JPDVMHDCBRRROS-QWPYIFRSSA-N 475.546 0.888 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1=O 1837564556 XLNJDDQLXRKIDB-OPSZGJHISA-N 480.477 0.604 30 20 JCED CS(=O)(=O)CCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838404607 UDGFKYYLZJUNBV-IFRHDIGASA-N 473.592 0.949 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)ccn2C)CCO3)c1 1838534576 QGRZYRGHIDHGKJ-DEOSSOPVSA-N 466.494 0.649 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)C(C)(C)O 1838774340 YVVTUXAPEAGJGG-HXUWFJFHSA-N 495.573 0.737 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839106820 COIGBNRDFIHIDV-XUZZJYLKSA-N 460.619 0.991 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1839173688 GAJHWBJKVZNBCR-HSZRJFAPSA-N 456.499 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cccnc3)C2)C1 1839174823 YTKWKUWCUVPPGX-WZONZLPQSA-N 460.531 0.848 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)N1CCN(C)CC1 1839362869 UIIXXLJCAHUSGJ-NLFFAJNJSA-N 469.586 0.459 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839517008 BWVHJKMTGURXJL-DEOSSOPVSA-N 450.495 0.787 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c3c(nn1C)CCN(C(=O)OC(C)(C)C)C3)CCO2 1839612980 BVDBMRWCKAUYFE-DEOSSOPVSA-N 487.557 0.417 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839988383 LSMRAZJDOZTQLT-HRAATJIYSA-N 456.540 0.768 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840011349 YTFYWAZUWKBPJV-XMODTWTHSA-N 461.559 0.969 30 20 JCED Cn1nccc1-c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)sc1Cl 1840041795 ISNXEXBEVYGESV-NRFANRHFSA-N 492.941 0.960 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)C1 1840042189 GJBKZFABFPFOGU-HSZRJFAPSA-N 452.467 0.089 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840174573 LXTNZLVSIBDATR-GAJHUEQPSA-N 483.562 0.865 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)NC=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251721 VFPZPBTZKTWCMH-BSRJHKFKSA-N 480.562 0.143 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CCO2)C1 1840370204 MSCDJECQKLJNNF-HYBUGGRVSA-N 475.590 0.906 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840450266 YRHXEBCOCOZYBJ-JPYJTQIMSA-N 490.561 0.041 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCOC3)CCO2)C1 1840540309 UIPCTWIBUZOCOA-PNCHPQGNSA-N 467.563 0.949 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)O)C2)C1)NC(=O)OC(C)(C)C 1840796769 PBYQJNNEQOWVBN-DRSNIGMVSA-N 455.552 0.683 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1840818536 IKIAYUHEZQRZPF-VWLOTQADSA-N 484.553 0.796 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840901261 CJZOHVPHSIMDLX-IDISGSTGSA-N 497.592 0.960 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1840958308 ACVAWFZQAOOLRX-YCRPNKLZSA-N 452.529 0.627 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1)C(C)(C)S 1842947664 ORCRXOAVIBEXLI-DZGCQCFKSA-N 471.624 0.384 30 20 JCED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)ccc1F 1845202647 WBIUROVQZLDCSP-UHFFFAOYSA-N 457.487 0.909 30 20 JCED COc1ccccc1C(=O)N1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 29838465 UVUCUKOQAMZYJD-UHFFFAOYSA-N 452.515 0.970 30 20 JCED C#Cc1cccc(N(CC(=O)NC)C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c1 109411134 WFAOJIOUXNJJSS-UHFFFAOYSA-N 482.562 0.914 30 20 JCED Cn1cnc2c1c(=O)n(CC(=O)N1CCN(c3c(C#N)cnc4ccccc34)CC1)c(=O)n2C 499519428 KZHAALUYKZOGTG-UHFFFAOYSA-N 458.482 0.202 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccs3)c(=O)n2C2CCN(C)CC2)CC1 514341417 MZLREPKFOKZZCH-UHFFFAOYSA-N 471.652 0.905 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)cc1C 524281351 ROYYOCDXMRMTRR-UHFFFAOYSA-N 477.498 0.827 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 603733617 HQHDYNKIIRDNBK-UHFFFAOYSA-N 491.591 0.951 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccccc1 603992330 PGVZMBPUHNBXDU-UHFFFAOYSA-N 461.499 0.990 30 20 JCED C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc2)C[C@H](C)O1 604131811 XGPJSYIRNGPNIE-KBPBESRZSA-N 453.503 0.800 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CC(=O)N(C)C 604270034 NEIMYRSAVWWWPC-UHFFFAOYSA-N 470.595 0.661 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 608864165 AYEOSCUPJCGYDC-UHFFFAOYSA-N 459.459 0.268 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 608888507 MKVIFMMQFHEMRQ-UHFFFAOYSA-N 470.536 0.826 30 20 JCED COc1c(Cl)cc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(N)=O)c1=O 608910733 HCWKYWFUNMTDQB-UHFFFAOYSA-N 467.334 0.492 30 20 JCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCc2cnn(C)c2)C1=O 726738326 UKFODIQSTHPQST-LRWZUSMTSA-N 478.600 0.636 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)COCC2CC2)cc1 749042992 LBEKLADKQVRTHH-FVOSJULTSA-N 452.533 0.342 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 750566436 HRZYGUVWZXAVRZ-UHFFFAOYSA-N 491.591 0.972 30 20 JCED COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)c1 774878515 BTXKXAPMMJSGLF-HXUWFJFHSA-N 457.468 0.344 30 20 JCED Cn1ncc2c(O)nc(CCC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc21 827571998 CCOHQNOHVAGDFD-UHFFFAOYSA-N 455.500 0.406 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCCc1cnn(-c2ccccc2)c1 853664448 RFCGJQVZIOCPPH-UHFFFAOYSA-N 467.507 0.924 30 20 JCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2I)c1=O 917353847 WRSLBTZVDHHAJI-UHFFFAOYSA-N 483.331 0.800 30 20 JCED CCOCCCn1c(NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)nc2ccccc2c1=O 920370153 SIDIGZQJSRYKEN-UHFFFAOYSA-N 452.475 0.955 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1C#N 1154387446 VHDNKYCLNABOJX-AWEZNQCLSA-N 455.544 0.766 30 20 JCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1160685334 LWLMXMLBKSPXGB-INIZCTEOSA-N 450.517 0.097 30 20 JCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1297993432 SJVSJDSTVLDNFT-UHFFFAOYSA-N 494.600 0.951 30 20 JCED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1314391973 WPKRQICIBDTNIC-GOSISDBHSA-N 474.591 0.832 30 20 JCED CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 1473277472 KAQCULUTXDSJCV-HXUWFJFHSA-N 451.568 0.890 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1516830912 OYMLSSWOQSKJFD-OAQYLSRUSA-N 460.560 0.876 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C 1541803623 KFETZLIPGUUKCC-HUUCEWRRSA-N 455.585 0.654 30 20 JCED C[C@H](CC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1545028604 JKDTYQZHBMCAMB-CHWSQXEVSA-N 451.530 0.699 30 20 JCED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1559637762 ZGYHPXRYZRRWAM-NXHRZFHOSA-N 452.602 0.964 30 20 JCED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CCO1 1621668602 XLFFWRKQWWEHAN-OCCSQVGLSA-N 458.338 0.964 30 20 JCED CCN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1695505315 KOPVYKCIXBTZPR-MRXNPFEDSA-N 453.569 0.219 30 20 JCED CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCN1CCOC 1727795179 XOAMZPACKDZGDH-IBGZPJMESA-N 461.592 0.913 30 20 JCED CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCNS(C)(=O)=O 1741672350 UGTLGPOVCLVFIA-UHFFFAOYSA-N 474.591 0.554 30 20 JCED CC(C)OCCS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1751059315 LBFMSLMDGPXHFF-UHFFFAOYSA-N 489.602 0.782 30 20 JCED CCN1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1767026253 AYVURPDGBOBHHV-SOLBZPMBSA-N 450.613 0.407 30 20 JCED CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1767430570 UYIVVGZJOMCANS-UXHICEINSA-N 453.565 0.610 30 20 JCED CCOC1CC(O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)C1 1767696154 MPYNABOVXMFAIA-KWLPKCRUSA-N 482.607 0.671 30 20 JCED N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC(=O)NCC(F)(F)F)c1 1771531387 MRBTXDLPIHZLTG-UHFFFAOYSA-N 465.436 0.966 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778114431 GDWZHHWMNTUQFK-UZLBHIALSA-N 458.581 0.289 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)C1=O 1778710760 LPTQZXOUDPBDOR-DKEIUJBJSA-N 470.482 0.794 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1778920569 BXPXFRIHZBTXAC-ZHRRBRCNSA-N 479.534 0.535 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1781310112 BFZBCIYSIMUNEQ-YKSBVNFPSA-N 472.542 0.824 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1781399905 GLOLWBNNCIADND-CKJXQJPGSA-N 456.540 0.503 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(N)=O)C3)N(C(=O)OC(C)(C)C)C1 1782301590 KCEODJRLQBPQCJ-YGKZAACZSA-N 479.578 0.734 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784582140 OGYBTFVYMKQACE-XCUWFEJPSA-N 478.546 0.544 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1785607817 DCPDTOHOQBNPOO-ZNAWXXFOSA-N 494.593 0.057 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(C)n3)[C@H]2C1 1786085120 BWLGRMHPAZVPKB-DKKFBQAASA-N 459.547 0.930 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1791264093 ZLCNRPWWBVOJDF-LTAJLKHCSA-N 457.593 0.512 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1792147494 TXPTZUZMISCBGW-CUWPLCDZSA-N 463.494 0.950 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)[C@H](O)C1 1792629773 SSWNZJZPSZCJMF-RZFLPCETSA-N 464.563 0.744 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)CC1 1793665045 GZCGFMHWNJLAGE-OPVJXMOQSA-N 461.559 0.751 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc([C@@H](C)C#N)c2)C3)CC1 1797305778 GRXLIFALPULYOC-MDTJBUOBSA-N 467.570 0.681 30 20 JCED COc1ccc([C@@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cc1 1797810261 NKDHBXXACYNONC-ZMQDZUHTSA-N 461.515 0.847 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)c1ccccc1 1797873062 UUGLWBFVKMSLFY-BMQTXXJKSA-N 475.509 0.213 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)ccn1C 1798530026 NTGNAWIPEGAISQ-YNVMFWSZSA-N 472.542 0.505 30 20 JCED CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3n[nH]c5ccc(C#N)cc35)C4)cc2C1 1800129592 JLDMGWFAGOQLAY-FAQVEIGNSA-N 488.552 0.984 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@H]2C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800708215 FQZFUTYLSMAQAC-ZMMAXQRCSA-N 489.573 0.253 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C[C@@H]2OCC[C@@H]21 1800763944 OZWUCACLHVWUDY-DOZWFGMRSA-N 462.547 0.904 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2nccnc2CN1C(=O)OC(C)(C)C 1801275080 DAGJNXYSKZSULX-BAAGSCJXSA-N 455.515 0.361 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]1c1cccnc1 1803548792 PEFXAYLEZFGPJC-QAJUQPOASA-N 459.499 0.621 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807950530 UODBEKJQJHFGES-CJNGLKHVSA-N 458.429 0.739 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1808271368 BEBMPQPGRSDFJI-RVBASHTNSA-N 452.471 0.461 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)CC1 1810287708 YWJDBBQWESFKSY-BCDMQFTOSA-N 483.617 0.723 30 20 JCED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN(CCO)CCO)[nH]n2)cc1 1814499577 NDXXSCQXEGPEJO-FQEVSTJZSA-N 454.531 0.803 30 20 JCED O=C(/C=C/C(=O)c1cccs1)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1817290455 BBMQSDCBKOTWFW-VBROQKIQSA-N 478.596 0.842 30 20 JCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1ccnc1 1829330169 ARFYUMCSJPFGQK-CLOONOSVSA-N 493.520 0.984 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1829460976 DGPZXVWYQCQCSW-CPJSRVTESA-N 483.569 0.445 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1829691052 GFGBZCPNPJDVKG-JXQFQVJHSA-N 479.574 0.474 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3scnc3C3CC3)C2)C1 1829764798 VXBMDQRVKKEMAZ-LXHZQTKUSA-N 460.556 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3-c3ccccc3)C2)C1 1829766258 OKCJFQQLGYPKGE-RRFNBQSRSA-N 479.537 0.801 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461536 OBAFHKDFRBTBKP-HOYKHHGWSA-N 454.527 0.638 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1832456776 ZUAKSFRYDANEKA-JOCHJYFZSA-N 459.524 0.811 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565253 BHYKHPFWEPVEKI-VGOFRKELSA-N 465.572 0.908 30 20 JCED Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1F 1833705368 FTEADJNBPKIFRI-LEYRACOBSA-N 467.498 0.467 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833830184 ZLAJEOZWKANUTD-MWTRTKDXSA-N 491.545 0.722 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834760465 DVZYHBYYAFJKTP-DRSNIGMVSA-N 468.526 0.952 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768796 PNSWFYAQJGBIMF-KNXBSLHKSA-N 466.535 0.117 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1835677919 QANNMCXFXQEYDT-QHCPKHFHSA-N 454.531 0.686 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1835795525 XEAJBWMVVCQDPF-ZWKOTPCHSA-N 472.590 0.758 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837047088 UXQXCXGLTYTNEP-UHFFFAOYSA-N 474.558 0.235 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1837397224 TUWJHRZBPHATST-XMSQKQJNSA-N 450.536 0.173 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1837403130 NYCQWOXUPRSUDV-WMZHIEFXSA-N 472.579 0.086 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1837445106 CZOVHXDMEGGABW-PEWOREFXSA-N 475.590 0.316 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3I)CCO2)C1 1837963255 GUVWFJIFDISMFA-BMIGLBTASA-N 480.328 0.403 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838404399 PYBHZNHAJBYFAK-QHCPKHFHSA-N 467.563 0.145 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)c1 1838582193 DSCIRPBJIQEDAI-XMMPIXPASA-N 481.509 0.930 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736189 PIXRLIGHIYEHKN-WZONZLPQSA-N 491.545 0.496 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131046 JIYZUGLSDHBRTI-VWLOTQADSA-N 486.569 0.872 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1839176585 XDIFGOGEDLNWKG-VNXZQDSDSA-N 464.515 0.296 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839228677 LPCCCKQVWVBDMO-XWQURZDVSA-N 465.547 0.999 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1I)CCO2 1839425323 KFXIEZYTADNPBX-SFHVURJKSA-N 499.261 0.903 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839425342 WMNWZWIWLLJNKE-FCHUYYIVSA-N 479.917 0.897 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839621943 BMEGPXHOKUVUEC-RDPSFJRHSA-N 475.590 0.362 30 20 JCED CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043776 UGAKXNAVNBWEJT-QUZZAMIASA-N 481.546 0.470 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](C)S)CCO4)CC2)ncn1 1840157474 QILNVYSHZRIZDD-AOMKIAJQSA-N 479.603 0.476 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840424344 JCEOKKPYXWEGJI-MBSDFSHPSA-N 459.547 0.587 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOC[C@@]3(C1)CN(C(=O)C1(C#N)CCC1)CCO3)C2 1840815556 YMIPUVUPXGXPBD-IQGLISFBSA-N 499.568 0.772 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1840909231 PDKNRTLBVRMYTH-CJFMBICVSA-N 486.569 0.997 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1840913113 YIOHDOWDUFRUJM-HPCCJCSGSA-N 492.573 0.191 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCc2nc(N)n[nH]2)C1 1844185055 MYPVKZMFOIOZLH-JLCFBVMHSA-N 459.551 0.992 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1845440321 CUDCESLPIDUEHY-JKSUJKDBSA-N 480.562 0.950 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COC)C2 1846365660 MOHDNMLCCVXGTH-HNNXBMFYSA-N 454.524 0.642 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1847068598 DWBPQZMQZYOEBE-SJORKVTESA-N 494.589 0.992 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1847803022 COELEXNOJJVXCE-YVSFHVDLSA-N 451.520 0.683 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 197991265 FXBLTFTUUVEIJN-SLUIBLPYSA-N 454.508 0.198 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 513985669 REOBLWQDADHCFG-LSDHHAIUSA-N 472.589 0.554 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)o2)c1=O 514468216 YLNQCTRVVHNCJE-UHFFFAOYSA-N 474.583 0.189 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 603834947 ZMKOSBZRGFMKKE-UHFFFAOYSA-N 459.503 0.759 30 20 JCED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119008 CAQSMCHWMJGZRW-AWEZNQCLSA-N 463.581 0.377 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C)n3)c(=O)n2CCc2cccnc2)CC1 609038122 FSWNLINJCFAOQH-UHFFFAOYSA-N 494.646 0.980 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCOC)CC2)cc1 617502991 RRHUUPYLTQROFM-UHFFFAOYSA-N 466.560 0.433 30 20 JCED CCN(CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1)S(C)(=O)=O 726402028 TYKHNPRIMWWRIC-OAHLLOKOSA-N 469.589 0.525 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1CC(N)=O 727162535 JEARKQNDXOSCTE-UHFFFAOYSA-N 496.330 0.027 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(F)cc2F)c1=O 729670924 BMDQHLMXLRUKLB-UHFFFAOYSA-N 481.546 0.794 30 20 JCED C#CCNC(=O)C1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 747618139 SWOGVKNBIJLLIW-UHFFFAOYSA-N 450.586 0.866 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNS(=O)(=O)c3cccs3)CC2)o1 915379477 AJEGDQYYRWOKQI-UHFFFAOYSA-N 467.529 0.477 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 917748753 WCVMIPPGPFXAAB-JZJYNLBNSA-N 472.570 0.948 30 20 JCED CC(C)(C)OC(=O)N1CCN(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 918127833 NBTKORGTKSVYOC-UHFFFAOYSA-N 465.576 0.784 30 20 JCED CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1306550298 DQISNHHCMGLFRH-YQVWRLOYSA-N 477.635 0.909 30 20 JCED C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1494656583 NZYBJQOCXHMRHA-QVKFZJNVSA-N 460.560 0.875 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)CCO1 1503773265 RLOCRXQIOCXUET-XLIONFOSSA-N 453.547 0.736 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1517630462 WKSVNMFAFNIOTG-KRWDZBQOSA-N 456.525 0.340 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 1536541719 JCUGSAUJTYKZPH-GOSISDBHSA-N 456.524 0.311 30 20 JCED COC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1554722112 ZNRGFGMLPHQLDB-HZPDHXFCSA-N 454.553 0.299 30 20 JCED Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1618495948 ZPLWDWTWHLBKDL-INIZCTEOSA-N 455.548 0.759 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696491023 VBLJPBUAOJCZBD-GOSISDBHSA-N 478.623 0.249 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740804089 YJMRDYBNBAFRRG-CQSZACIVSA-N 486.986 0.698 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C 1741133806 UOUQKKRGEYJRBV-NXRFCRFCSA-N 460.626 0.754 30 20 JCED COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1=O 1749865846 OICGGAFRSRIZGI-SFHVURJKSA-N 481.557 0.925 30 20 JCED CNS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1769374723 IVYHUIDQHFHLFG-LJQANCHMSA-N 463.543 0.443 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)CC2)CC1 1778320522 NRWUAXJGHDUMBW-VWLOTQADSA-N 471.602 0.843 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)[C@H](C3CCOCC3)C(=O)N4)C2)C1 1778384729 BSKNRNLSIFQCSD-WIOPSUGQSA-N 481.505 0.680 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780602243 UVGXDFBALAIZGK-UUOWRZLLSA-N 485.541 0.770 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H]3CNC(=O)C3)C2)c(C#N)c1 1781779391 KOLRDRAMWALLFA-DRMXPCRNSA-N 454.527 0.759 30 20 JCED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2 1782353378 IBELHJGHJKSTJH-DENIHFKCSA-N 453.605 0.424 30 20 JCED CS(=O)(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1782719883 DJZIHINWVFMZOD-REXCAIMQSA-N 459.565 0.464 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782851387 ZMFWWWSFPXJDQA-WMZHIEFXSA-N 487.513 0.162 30 20 JCED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1783119645 OJCXYNWHRAXOSG-VVBPWWLESA-N 452.552 0.797 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCc4sccc4C3)C[C@@H]21 1783529582 RHIVZRPDGRWGCS-IQUHNSSXSA-N 472.611 0.944 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(C(F)(F)F)cn3)C[C@@H]21 1783530993 BUYWFKHTSDKPAR-MYVDIJBLSA-N 467.448 0.947 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc(OC)c3OC)C[C@@H]21 1783531286 MPZPPVNAZTZNPT-LQHLUTLQSA-N 458.515 0.551 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2)C1 1783769170 XXMGFJIOZPPZKJ-SEPYTNNBSA-N 464.563 0.976 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1)C(C)(C)S 1783778464 UQJLBWBQCRCACS-QVKFZJNVSA-N 483.591 0.294 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)Cn5cc([N+](=O)[O-])cn5)[C@H]4C3)c2c1 1785218993 RLPCEWBLMGRILH-FNHZYXHNSA-N 478.469 0.833 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1785609116 OVVRRUNKAOICAG-NYHFZMIOSA-N 463.535 0.279 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3)[C@H]2C1 1785959523 BKIWDMQSNBBFGH-OKYOBFRVSA-N 457.531 0.987 30 20 JCED COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)n1 1787636549 DMUHSEZAUYWAMJ-ZJOUEHCJSA-N 458.559 0.821 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]43)ccc21 1787960022 XXCDUZVLHHMUHF-WFXMLNOXSA-N 482.585 0.752 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21 1788658940 CUGUDRGHULDVSN-KRVXRBTCSA-N 456.503 0.852 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C[C@@H]21 1792258399 CJVQGFAHXNQDKH-FKSLSLAPSA-N 474.562 0.735 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1noc(C)n1)C2 1793593370 JGRMBMAGJOTRAT-RCJHGTSTSA-N 463.535 0.980 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(O)cc1 1793946410 KPNFQSFBGNQERV-PGRYMQIGSA-N 468.510 0.077 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OC)cn1 1794952580 BVXFSTOGFXCOEM-YYAJDYIMSA-N 473.530 0.605 30 20 JCED CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/C(=O)c2cccs2)C3)CC1 1795444999 NZJSDGWBYGQPGZ-WZEMGFAMSA-N 460.600 0.714 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1799232910 IWIPHSVSXFTNKU-JTJHWIPRSA-N 488.589 0.955 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(-n2cncn2)c1 1799774016 IOIGPSPDCDMOGC-MZNTUGIBSA-N 450.499 0.329 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800199599 AJROELLSIYREBA-AGYLXNLDSA-N 487.557 0.302 30 20 JCED COc1cc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc(OC)c1OC 1800443619 WJMJABKNEATICF-HSXKUWNHSA-N 458.467 0.403 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800799813 JHKTULCETNHGGQ-QLCXLMDBSA-N 483.562 0.624 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1800989735 QMHMXVZIPXVCNZ-XVAUXIKLSA-N 477.583 0.666 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)n2cncn2)N(C(=O)OC(C)(C)C)C1 1801361208 UHVUTVTWBIBYQK-ZSXDVEMLSA-N 474.562 0.994 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C1 1802159567 FPKZBTATHPSCOE-FCGDIQPGSA-N 493.605 0.884 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1804347252 YYKZCBHUOXTOHJ-LQWHRVPQSA-N 467.526 0.384 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1808449063 CBXPUZATFYSHAV-JXFKEZNVSA-N 455.519 0.930 30 20 JCED O=C(Cn1ccncc1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1812343381 XIECMSRPMUMIHP-LZUHDAQMSA-N 468.514 0.873 30 20 JCED Cc1cn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)NCCC#N)[nH]n2)c(=O)nc1O 1823367577 RSLQNBPYJQWGJZ-INIZCTEOSA-N 470.534 0.955 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CN)CC2 1828284693 OIVDHPZRWNCCCG-MBNYWOFBSA-N 450.565 0.258 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(C)=O)C2)C1 1828494569 OPSDTYWMHCFCEX-HAAQQRBASA-N 482.537 0.886 30 20 JCED CCOCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828872792 IJBYUAMKNZHVEX-QHCPKHFHSA-N 457.483 0.563 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCN2C(=O)OCc1ccccc1 1828994427 CLVRDWUOILNKON-HSZRJFAPSA-N 481.465 0.269 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1829330165 AQNDLEPWEYGWTJ-DHLKQENFSA-N 495.488 0.853 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)c(C)c3N)C2)C1 1829765480 XVXQZTDHXYLUIH-FUMRIQNTSA-N 460.506 0.645 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456968 ZGUMHZVVZUCRHC-JOCHJYFZSA-N 463.556 0.382 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830883247 DGPXXHAXPRIHHX-UZUQRXQVSA-N 491.545 0.232 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831212760 FAZKPRMCOZWOFH-QHCPKHFHSA-N 460.552 0.639 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831330200 UTEKNQMFQDJBNG-JOCHJYFZSA-N 463.556 0.382 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)c3C(F)(F)F)C2)C1 1831392773 OOGJQBZHJNHRPL-AUUYWEPGSA-N 458.437 0.547 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831432605 BZNLFTWWHAGZMP-XNKHYLNYSA-N 469.538 0.944 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCC)cn1)CCO2 1833435320 UWUHNUJNIFJZPZ-JOCHJYFZSA-N 462.503 0.455 30 20 JCED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1833490069 DIHFOYJVNXQZHW-KRWDZBQOSA-N 450.542 0.237 30 20 JCED C=CCCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c(O)n1 1833759973 HPPXKFOGMNYBJX-HXUWFJFHSA-N 498.584 0.689 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CN)CCO2)C1 1835536659 QUPWXRYFBPTEOH-IEGYKGNPSA-N 466.579 0.507 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1835675575 WRVZHYLFWGCSDU-RUZDIDTESA-N 499.568 0.723 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380742 DEUHNJWWSGLRCT-XXBNENTESA-N 495.598 0.269 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1837446707 MWKUKGHXPIOYEZ-PODSUIKTSA-N 468.558 0.964 30 20 JCED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1C 1837531623 RICRGQBRJSLIJN-JPHKLTHBSA-N 463.535 0.582 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nncn5c4)C3)C2)c1 1838582644 XNIXKSHXKGCUDT-DEOSSOPVSA-N 476.493 0.993 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4ccccc4=O)C3)C2)c(C#N)c1 1839132652 LCPZCRKHFUILKZ-NIYFSFCBSA-N 494.548 0.989 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839139354 BLSNZOYMYFSKKC-HSZRJFAPSA-N 491.545 0.498 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3nccs3)C2)C1 1839173877 RJFLFGXRCZBNTR-IERDGZPVSA-N 466.560 0.909 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839186088 YVQQRBRCHYLKAU-UZUQRXQVSA-N 482.578 0.568 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(OC)c1)CCO2 1839254346 RBZDFNWJBHASEN-XLQQFJOYSA-N 457.527 0.932 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C3)C2)cc1 1839361850 JLXHWALMWXBBTJ-HSZRJFAPSA-N 499.549 0.288 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423808 YHFXQPWLEZLGAM-DYESRHJHSA-N 463.922 0.729 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COCCO)C3)C2)cc(C(F)(F)F)c1 1839443672 STPRYQJDKNIYPG-HXUWFJFHSA-N 471.432 0.656 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)c1 1839452709 RPYGMMPODDNPIE-DEOSSOPVSA-N 463.494 0.970 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1ccnn1 1839488616 BOMNJFBLBKCPTL-QRQCRPRQSA-N 464.486 0.357 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839735927 LEIMDQMDMMTDTC-FZUFRQSMSA-N 455.559 0.951 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1839739187 UIVDZMDASHRZQG-PZROIBLQSA-N 462.494 0.918 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)(C1)C2 1840005845 XFDNGJZUVHWPGM-YIQAILQLSA-N 479.530 0.315 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CN)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251612 OZVRWLMVYAIHND-STSQHVNTSA-N 466.579 0.603 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)CCO2)C1 1840289943 QYPOTLLWVPRZGG-YTZAWJCFSA-N 495.573 0.960 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1840295179 ACNZLWCENJJKNI-QHCPKHFHSA-N 454.564 0.706 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840344482 GXTBKVHAZQATCX-AWUSRGSFSA-N 451.483 0.830 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1cccn1 1840445406 UNWCRKRRDUANPT-FDDCHVKYSA-N 453.499 0.851 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c(C)c3Br)C2)C1 1840843088 UGEJYGABKITNNK-LJQANCHMSA-N 453.337 0.974 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)CCO2)C1 1840866812 DPOROEXWZZNKOQ-MHECFPHRSA-N 479.574 0.738 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1840908814 HYVZWIQAPNMCKU-PMAPCBKXSA-N 465.547 0.538 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cccnc1 1848138502 YVMOXUSBPAQRCM-QYZOEREBSA-N 469.542 0.930 30 20 JCED CCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 18662325 KZGLDGJKBVEALN-GOSISDBHSA-N 497.595 0.538 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1=O 28664998 BPNDWOYYMMNCQJ-UHFFFAOYSA-N 459.528 0.393 30 20 JCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 30938825 VRGLEDCEZQYQTL-LJQANCHMSA-N 491.595 0.384 30 20 JCED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCN1CCS(=O)(=O)CC1 603892123 IMRJGFVHSRVCNH-UHFFFAOYSA-N 460.350 0.945 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc([N+](=O)[O-])c3)c(=O)n2C2CC2)CC1 603998375 MSHYOKQAPKFTIF-UHFFFAOYSA-N 459.553 0.882 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2csc3ccccc23)c1=O 608912382 KGZNJCJVAJXCLH-UHFFFAOYSA-N 488.616 0.455 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 839221651 CNIPBIDNPAHNKK-FMKPAKJESA-N 485.584 0.519 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCO4)n(C3CC3)c2=O)cn1 839378935 MRPOFTHHYBWDCV-UHFFFAOYSA-N 494.489 0.799 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)c1 914426298 CSJDHSGZSQWBCW-WBVHZDCISA-N 458.558 0.636 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 914994934 SMGXPLSWTUYPKN-UHFFFAOYSA-N 481.513 0.675 30 20 JCED CCNC(=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1296265560 ZSFQJQNSBRFYJV-MGPUTAFESA-N 483.570 0.359 30 20 JCED COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1301836854 OZJOVXLXBMKWMY-LJQANCHMSA-N 493.565 0.595 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1359400418 KODQHCNHLGRYQJ-UHFFFAOYSA-N 480.573 0.276 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)CCOC1 1502719523 ZOHREMATANQLFU-BEFAXECRSA-N 471.484 0.785 30 20 JCED CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1696958815 IZKCFBDHDGBRGS-UHFFFAOYSA-N 481.557 0.940 30 20 JCED COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1697075550 XCRRSFSNUNHPBI-UHFFFAOYSA-N 453.503 0.987 30 20 JCED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1708147801 UHGWNDVAYZTKJZ-OAHLLOKOSA-N 458.544 0.423 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1710347415 REIXZNNXGROSCT-SFHVURJKSA-N 457.560 0.861 30 20 JCED Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)n[nH]1 1742605597 KHMRPBJGNPUOCD-UHFFFAOYSA-N 465.518 0.693 30 20 JCED C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1749244786 UIORMCHIUKDDGJ-QGZVFWFLSA-N 453.590 0.879 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749251733 INYYNGXDBZVTLB-HUUCEWRRSA-N 462.020 0.678 30 20 JCED CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 1765497371 MGJHOBWMZJXREN-GHTZIAJQSA-N 466.590 0.794 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)CC1 1778351968 KGCJRXCUFXESML-RUZDIDTESA-N 467.570 0.485 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138962 LQPODMUEACGLKA-MTPLMZCSSA-N 454.487 0.137 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c(C#N)c1 1781172952 LCTHJFINYPOFCK-OAQYLSRUSA-N 454.443 0.884 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1782147673 JCJFHLMAQUCJLO-DRSNIGMVSA-N 485.603 0.462 30 20 JCED CCCN1CCN(c2ccc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2)CC1 1782149629 RBDQUFFCEILKJE-RUZDIDTESA-N 468.554 0.750 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783501867 JOZVQICLHRDMHX-MUGJNUQGSA-N 494.658 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nnc4cc(C)nn4c3C)C[C@@H]21 1783530889 RJXPOHLFVLCCLM-SKNOTLCPSA-N 467.530 0.193 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCS(C)(=O)=O)C[C@@H]32)c(O)n1 1785774699 YQLMZDDLBHEMJV-SNRMKQJTSA-N 465.572 0.934 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21 1786857946 HDGYOKXQOSAITN-AVGNSLFASA-N 466.432 0.603 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)c3cc(=O)n4[nH]nnc4n3)cc2)CCC1 1788406277 MVGCADVTNFITIB-HJWRWDBZSA-N 462.470 0.419 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)nc1 1788655964 HKNRZFYZNZUGGW-HNBMCMEPSA-N 494.570 0.607 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nccnc4C(N)=O)[C@H]3C2)cc1 1789088374 ZRXRFVVWYBYJQK-FHWLQOOXSA-N 462.510 0.673 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(=O)(=O)N4CCCC4)C[C@@H]32)c1 1789257508 LYMROMAYAGPKPO-YYWHXJBOSA-N 490.582 0.586 30 20 JCED CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789907983 DVTNRKGDGNHOKD-IEZWGBDMSA-N 451.520 0.654 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C[C@@H]21 1792258444 DRGUNRBDCQQONZ-WNHJNPCNSA-N 459.547 0.849 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1792834485 OQDKVZYSTKLITP-YVWYUNDQSA-N 488.953 0.746 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793248630 QHBZJJUOVIMZKO-KHQYSNIRSA-N 464.563 0.759 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1793355793 RBGQEDKJJVVMKP-VYCZESIESA-N 451.545 0.421 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1 1793611951 YTRISKYQBPFHHE-UZTRCFKKSA-N 463.531 0.748 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccn(Cc3ccc(F)cc3)c2=O)CC1 1794405976 OBVSZILUOVXRQE-IZZQQSIFSA-N 465.485 0.938 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1795584716 UZOLASQUAPSUBM-SBXLSSBRSA-N 480.610 0.290 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1797713956 DZXPXDJAPGCRCO-IKJLZNBSSA-N 481.590 0.833 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc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c1ccc(O)cc1 1801051699 NBFSMLCHCHPGFF-NXOMJONSSA-N 491.610 0.807 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](CC)NC(N)=O)C3)N(C(=O)OC(C)(C)C)C1 1801103956 OUDWZAVLRDNXJB-ADHGMGHFSA-N 479.578 0.589 30 20 JCED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(C)C)c(C#N)c1 1801846737 VMKRMIWBWNLRLD-RMFSNUHRSA-N 463.556 0.983 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1801994592 UPDVRSOTPQUDJN-MFKICJERSA-N 453.455 0.101 30 20 JCED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 1802025276 WSWKEOIDUJULGW-XCRACJGTSA-N 470.526 0.652 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CC2)C1 1804853815 RDRKOCYQRPRABM-RBVSRTDUSA-N 461.588 0.878 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810357135 OOFKUPMCLKPHBG-LAKAFWOASA-N 452.533 0.661 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)/C=C/C(=O)NCc2ccco2)[C@H]1c1cccnc1 1810470690 WAIOQJYTYANHAB-FJYNKWEQSA-N 450.451 0.641 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818890679 ZGLMKSIZNMEJFJ-WLMCBFPDSA-N 474.587 0.078 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1824491463 SJERVAURKXZOMC-IEBWSBKVSA-N 498.584 0.092 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828927621 YSCOGZXHUGQKBF-HSZRJFAPSA-N 452.467 0.830 30 20 JCED O=C1CN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=N/O[C@H]3CCCCO3)CC2)C(=O)N1 1828971369 XZNKAXBYMBCDGE-RDRJKUMFSA-N 463.535 0.687 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1829267305 TXBPUAORVLYDJZ-HOYKHHGWSA-N 469.542 0.779 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CNC(N)=O)CCN3C(=O)OCc3ccccc3)C2)CCC1 1829475686 HJASZQYBHVBHHN-DEOSSOPVSA-N 482.541 0.801 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1829905943 OZEKVXQTEWFNEG-CJFMBICVSA-N 469.586 0.193 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064278 IARNTCJVCVAFAD-YRUKQIKQSA-N 494.589 0.753 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830886035 QMEIWCVYEQYORI-CYFREDJKSA-N 481.590 0.912 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831187692 GYDLEDZADYOKNL-MWTRTKDXSA-N 458.515 0.552 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)C2)C1 1831387441 HWHZABZRMDVNEO-RNQXOCHUSA-N 491.585 0.879 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H](F)CN3C(=O)OC(C)(C)C)C2)C1 1831391440 BHJXHMIXKGRDID-YDLHNXBPSA-N 497.564 0.829 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-c4ccc(O)nn4)cc3)C2)C1 1831399581 XRLYYXOTXYBNSI-BVZFJXPGSA-N 480.521 0.958 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1831409548 SPSIDQIBJRVHJB-GOSISDBHSA-N 452.426 0.531 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1831492525 MILKABFMAZPLQY-GHTZIAJQSA-N 454.637 0.177 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1831951228 ISCCBIDCANUPPT-ROZQTZPBSA-N 462.503 0.689 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1832000829 ZBTVIGLBLGEZGY-JPYJTQIMSA-N 492.577 0.594 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(OC)nc3)CCO2)C1 1832581371 GIHPNPJAHQOKQP-DEOSSOPVSA-N 475.542 0.989 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)COc3cccnn3)CC2)CC1 1833076610 BOXHNHGPOJTMTK-WAYWQWQTSA-N 456.547 0.285 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833566903 BASSDNLQYGZJPW-NRFANRHFSA-N 452.483 0.835 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c(CC)c1F)CCO2 1833738896 OLPIOMGZMCZBIT-OAQYLSRUSA-N 452.483 0.691 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(OC)cn2)CCO3)c1 1834527915 BWHLQEXREVAMLS-QHCPKHFHSA-N 467.482 0.749 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1)c1cc(=O)n2[nH]nnc2n1 1834973141 VUAPKQDKBYDCFQ-UHFFFAOYSA-N 474.525 0.050 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)c1ccccc1 1835309019 XBGACOIWGHNWJK-BKSPAHHJSA-N 453.539 0.919 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835351912 FBBFBEKVCXXVLO-GKVQRAMASA-N 494.589 0.755 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2)NC(=O)OC(C)(C)C 1835536064 KHWDPBXBILJFFY-IXFSTUDKSA-N 468.595 0.897 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835667668 MBLHIIGOLDMTQH-SBUREZEXSA-N 481.594 0.638 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1835715712 MHYNFZDBQVQHHO-NRFANRHFSA-N 498.690 0.803 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1835716878 ANZFQPBEUSAIEE-OALUTQOASA-N 482.622 0.974 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836479776 PUWJEDYEKPHWBM-WZOHSFFVSA-N 490.601 0.668 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](OC(C)=O)C(C)C)CCO2 1837221361 KAGMKVHRQYXWCH-KNQAVFIVSA-N 454.520 0.540 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1)c1ccccc1 1837362768 NEKXQSYUXZXBDH-CYFREDJKSA-N 452.511 0.516 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1 1837440623 PURXGWHLIQLFBA-LTWDQGNYSA-N 474.558 0.657 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837868686 DTLMGXOAASAAES-SFHVURJKSA-N 450.584 0.714 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1838023335 VIRUMXSVCSDFGB-CQSZACIVSA-N 474.522 0.226 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838604055 HJQDXHQQJKSVED-JTSKRJEESA-N 491.570 0.703 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(CC)CC3)C2)C1 1839176008 QNBVRZULMJYKME-HSZRJFAPSA-N 451.564 0.684 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1839176521 SWKSELBORQZLIO-QHCPKHFHSA-N 456.499 0.914 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)ccc1F 1839187922 DWEMWZVKSMQUKB-UGKGYDQZSA-N 479.530 0.273 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210095 DGNKHTFICCECCC-AVYPCKFXSA-N 461.581 0.037 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1839223482 WUDJHGVCQDWXGV-FOIQADDNSA-N 453.471 0.653 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n1 1839224912 RSAIUSWJDVNVHQ-DYESRHJHSA-N 451.524 0.400 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1839761486 LXZNYGIGVKGPTC-HSZRJFAPSA-N 462.543 0.485 30 20 JCED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839883727 ZQUPENROEJQONY-FQEVSTJZSA-N 483.447 0.568 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839892758 ABAGFECMEIUJAU-IFXJQAMLSA-N 481.468 0.447 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)(C1)C2 1840005435 AQPZJBLUUVZNHI-ROHVUPLZSA-N 462.547 0.258 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(C(F)(F)F)cccc4n3)C2)C1 1840044590 NDVMFELFWABXGT-FQEVSTJZSA-N 480.399 0.511 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1840081946 QHFPREXRAKQSTM-IRLDBZIGSA-N 492.635 0.093 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1)c1ccc(F)cc1 1840162677 FCTMGFHHIBDXSZ-HLLQZAQXSA-N 453.536 0.778 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1)c1ccc(O)cc1 1840221929 UJVIVHYDZJIOSG-XXBNENTESA-N 478.567 0.390 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251681 SXXXEKVHTRVISV-AOMKIAJQSA-N 476.534 0.440 30 20 JCED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn1 1840466132 NYHJDWWPIFRMLC-QHCPKHFHSA-N 463.498 0.481 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1840715556 FWVMVRIMUQLDQF-DHJUGAMNSA-N 475.567 0.961 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)CC2)ncn1 1840812407 OVOWSTNPEJOGMF-RUZDIDTESA-N 498.584 0.852 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1840819501 NVENMIAZSNEICN-DEOSSOPVSA-N 476.493 0.750 30 20 JCED Cc1nnsc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819676 ZEVYCHFEJIBUTM-OAQYLSRUSA-N 457.512 0.867 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542557 GOINNDGNITZCMZ-BVZFJXPGSA-N 470.570 0.976 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1844157642 ZQLGAJUCHZYCAK-AWEZNQCLSA-N 455.393 0.854 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)c1 1844299671 KBLWLKYPKNHNQV-FNLSEGDXSA-N 450.517 0.831 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1846282682 DSVJHRYJPDBANB-SFHVURJKSA-N 484.557 0.866 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)O1 1847847831 CNUHWVCAELQFNX-UGUYLWEFSA-N 495.533 0.102 30 20 JCED CCCCn1c(N)c(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)[nH]c1=O 15605252 IAGLDIZSURKKRF-UHFFFAOYSA-N 488.570 0.854 30 20 JCED Cn1c(=O)oc2cc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc21 481012396 KJNOMQJKTARHCO-UHFFFAOYSA-N 469.479 0.475 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 516828312 BNAZHVBKZYHKBH-UHFFFAOYSA-N 486.456 0.881 30 20 JCED COc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1OCC(=O)NC1CC1 517119363 MNTWDKIBEHTKOT-UHFFFAOYSA-N 478.509 0.907 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(N)=O 517923171 IYLOQNDPUGHDRZ-UHFFFAOYSA-N 454.552 0.528 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 522551070 MSLZTWDJGOIWHV-UHFFFAOYSA-N 456.528 0.118 30 20 JCED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O 524282845 OBFICYWTUWLUTP-UHFFFAOYSA-N 489.492 0.257 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 589161653 WPEWIKIERFGBMU-UHFFFAOYSA-N 477.608 0.976 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 604321101 UXOIOSXLGRUUCZ-UHFFFAOYSA-N 451.487 0.943 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(Cl)nc1 727163873 FWLPMFNEQHTTCL-UHFFFAOYSA-N 498.948 1.000 30 20 JCED Cn1nc(Br)c2c(=O)n(CC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cnc21 727341992 GNTJNIJRHHITNT-UHFFFAOYSA-N 471.319 0.944 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1CCOC 728558020 WKZNMPPIVZDQRL-UHFFFAOYSA-N 485.541 0.537 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCS(C)(=O)=O 729670903 AKHVKTSZZZEDTI-UHFFFAOYSA-N 489.554 0.402 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCS(C)(=O)=O 729674774 LZGNASRBFWIZHO-UHFFFAOYSA-N 498.026 0.654 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(CNC(N)=O)cc2)CC1 749403763 DAZZBGDGRIXNPF-UHFFFAOYSA-N 485.522 0.416 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 914995100 FTTCHHAHPSNPFU-UHFFFAOYSA-N 482.522 0.930 30 20 JCED N#Cc1cn(CCNC(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)c(=O)nc1O 1167523657 NGAIKQFVXPPGQM-HNNXBMFYSA-N 456.528 0.889 30 20 JCED CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1313958977 ZGIRWFZIXOBUAL-UHFFFAOYSA-N 486.646 0.926 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1504528109 KJQAXQWCDAMAEQ-FGTMMUONSA-N 468.580 0.402 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CCO1 1508386835 WRQXPYMZCZMSDV-HXUWFJFHSA-N 469.546 0.985 30 20 JCED CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1617307144 MTOZEPYSFPIGAU-CQSZACIVSA-N 454.578 0.831 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1CC1CCS(=O)(=O)CC1 1741914641 LYLKNDDPKJTQBO-AWEZNQCLSA-N 458.610 0.843 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)c1ccccc1 1750077531 WKLIZUNXRMTXRI-FUHWJXTLSA-N 496.615 0.681 30 20 JCED COCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1769559783 JUIRXRUSVLMPEN-XLIONFOSSA-N 470.596 0.529 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777866402 OWUIDLYFIYRNAX-DVECYGJZSA-N 456.543 0.894 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c(I)cnn2C)C1 1778405238 LQXOXZNESBDCAL-CXAGYDPISA-N 456.284 0.785 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1779423305 KTTHPXJFTLMXDK-YVTMVBNISA-N 464.479 0.974 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cn3c(nc2=O)SCC3)C1 1780544187 OMLDUFMKGVNPFO-WAWZGNHOSA-N 452.602 0.724 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)N2CCOCC2)C3)ccc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c1n[nH]c3ccc(C#N)cc13)C2 1782396098 UFMYHLAZCQCRNX-VGOFRKELSA-N 454.487 0.918 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc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c3ccc(S(C)(=O)=O)c(F)c3)C[C@@H]21 1783535235 DJCCFHIGTOFDMT-SAWCTPMISA-N 493.557 0.681 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)CCO2 1783905975 MPVHRCGTTRWGHF-QYXIYQDXSA-N 490.601 0.991 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1784477641 HCKUTVYDGWOPCT-JVJLKXRTSA-N 477.558 0.583 30 20 JCED COCCn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785379261 SHYFMYDXZRDJSH-QHCPKHFHSA-N 453.499 0.924 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccn(C)c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c1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)Cn5ccccc5=O)C[C@@H]43)c2c1 1790328291 ZOODDPPNYVEYOS-QRFRQXIXSA-N 460.494 0.890 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1792255234 BNXWHYRCUFIXPZ-FJIDUMEYSA-N 478.546 0.335 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792556371 IFXYRDIALGZZFD-KPJFKLOUSA-N 490.560 0.870 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792777346 FJSATSYLLYAXQC-LPVBTYDRSA-N 459.543 0.347 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793046258 HENSRHNEXDABLI-CVFMPKEZSA-N 467.522 0.230 30 20 JCED COc1cc(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)CC2)ncn1 1793132234 TWBLZGGKRZKUEN-XEMDLRDOSA-N 454.531 0.595 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1793380632 AJNYZJRZOGLZOJ-NNNWTRQLSA-N 488.614 0.724 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCNC2=N)cc(C(F)(F)F)c1 1795580141 HFTIGEWPFGGXOL-JLVBRIDZSA-N 464.448 0.620 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799350098 LEXXLUAYSZYJJC-AVEIZBFRSA-N 455.552 0.443 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1799393718 MQZUASKMGHYIGV-UHDSXZAQSA-N 456.540 0.263 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](N)Cc3cscn3)C4)c2c1 1799882361 KQFWIFPCCDORAS-CSHUHZATSA-N 465.539 0.664 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1802125746 QOOBEEIMJLQQGU-HLPPOEQASA-N 491.463 0.598 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2)C(C)(C)O 1802150898 PLRFQWPRCCLBAH-YYIAUSFCSA-N 464.563 0.934 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)CCOC1 1808590003 DZOZXSJYGKMJOI-VWQFJMCTSA-N 486.525 0.859 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1)C(C)(C)S 1812983688 DYEMXAWHMUJXLY-WNRNVDISSA-N 494.662 0.975 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1819450669 CALFZNRWRWCNFR-ZSVOOBTHSA-N 461.479 0.483 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN)CC2 1819645920 NJZZFSURVZHNKE-TZMCWYRMSA-N 496.590 0.819 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)NC(=O)OCC)CC1 1823746726 KIQBVMZAZRERGZ-WSMAHZFNSA-N 450.536 0.529 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COCCO)CC2 1828287128 XEKJBQZGCJOPQH-ZFWWWQNUSA-N 466.560 0.981 30 20 JCED NC[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#Cc3ccccc3)C2)C1 1829046649 DEDIOBXZHUMIEZ-WNCULLNHSA-N 489.576 0.776 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1829769016 MARGYHVJWUARDC-VRWDYKOXSA-N 480.525 0.400 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1829770069 DACBIERBNVDFGO-VKUXZERMSA-N 459.528 0.324 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)C1 1829770219 FXVQATHECUYEMO-FUMRIQNTSA-N 459.547 0.636 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1829770445 QGQMNZOJVIAPRI-VQLQEPDVSA-N 457.531 0.197 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1829782483 WNFHKMWPIFQRRC-JOCHJYFZSA-N 458.519 0.480 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)CCO2 1830743295 BHXMAIRCNSDWLE-IEGUWTFLSA-N 467.563 0.642 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1831387844 LXRKJCKKBJKQMJ-MZEQIWSPSA-N 483.565 0.530 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccc(N(C)C)c1)CCO2 1832525501 ADQDHFQXLAANKH-RRFNBQSRSA-N 486.569 0.446 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1nc(-c3ccc(F)cc3)no1)CCO2 1832899782 UBCHONIHLZAQIA-HSZRJFAPSA-N 486.456 0.353 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833020769 FJFWMDIDZWBNJO-HRAATJIYSA-N 452.577 0.809 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccc(OCC)nn3)CC2)CC1 1833075322 KGNQYTNUQXQHBC-SREVYHEPSA-N 470.574 0.919 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833652180 DHXFLUXDEAGCEV-UJHCQMTCSA-N 498.540 0.866 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834403648 MCNLEMWGAHQVRW-IBGZPJMESA-N 479.578 0.928 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3C)CCO2)C1 1834430424 VANXJYLPTGESQW-DVECYGJZSA-N 489.573 0.715 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(OC)cn2)CCO3)c(C#N)c1 1834530801 RMVMMXNRDKNICT-DEOSSOPVSA-N 481.509 0.678 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834589680 XFFUUXZPPDFQIA-HXUWFJFHSA-N 453.543 0.787 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834765731 JXBCNUOARSQTTA-XMSQKQJNSA-N 482.459 0.521 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)c1ccc(O)cc1 1835128539 ZKMSYKCXDFNGFF-OWHZGTRUSA-N 469.538 0.624 30 20 JCED COC1(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)CN(C(=O)OC(C)(C)C)C1 1835342089 PQNRPAJOHCGQPE-XMMPIXPASA-N 492.573 0.773 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4nccnc4C(N)=O)CC3)CC2)c1 1836050419 UUTLRLLFBOOZGF-UHFFFAOYSA-N 461.526 0.946 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CN4CCS(=O)(=O)CC4)CC3)CC2)c1 1836258595 BZDLPAKZODOXQX-UHFFFAOYSA-N 487.626 0.474 30 20 JCED CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1)C(=O)O 1836409073 DUADTHLSDUSBBT-OAQYLSRUSA-N 473.549 0.874 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836851722 YVKPRGRYTMSRJA-DEOSSOPVSA-N 476.493 0.750 30 20 JCED CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C(C)C 1837227516 UHDDLMWBCKWSGW-UPVQGACJSA-N 473.526 0.981 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1837396703 KUQMCQFSQNECQM-CYFREDJKSA-N 457.527 0.824 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493452 GCENJQAWRPJJBH-YKSBVNFPSA-N 458.559 0.674 30 20 JCED Cc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1F 1837524913 PDPOOXGKIVXNJA-OWNHUBEZSA-N 467.498 0.467 30 20 JCED COc1cccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837559676 AVUMQLLYBMODOT-UUVZMSSXSA-N 456.499 0.801 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837562076 CCSKGGJYAVVQAT-CSOJOJLQSA-N 452.471 0.740 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1)c1ccccc1 1837611477 IMFLODUWCDINSQ-MZLICYQSSA-N 455.511 0.748 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1838534923 LFWNGHVXDJGKEL-HSZRJFAPSA-N 454.458 0.780 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)c(NC(C)=O)c3)CCO2)C1 1838606945 DLCNASXZOGIPAQ-OSPHWJPCSA-N 473.526 0.762 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838639004 XLNCZNHWCQZZGN-QFIPXVFZSA-N 460.607 0.891 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742310 CKYYAWLIYPMOFQ-RDGATRHJSA-N 497.527 0.843 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838795626 AWCQYBDCQKAEJI-UCYCTBOASA-N 498.540 0.866 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951318 KHVIPVKGUREXTN-OFNKIYASSA-N 473.482 0.123 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4nnc(C)o4)C3)C2)c(C#N)c1 1839132208 ZKRAWAWVZPXVOT-QHCPKHFHSA-N 469.498 0.500 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1839173183 DAQZYNGUHRXACN-XMMPIXPASA-N 476.526 0.909 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839414188 QWKBNLOYQWZXSU-GTBXIFBCSA-N 492.485 0.899 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CS(=O)(=O)N4CCCC4)C3)C2)c1 1839452135 IDVMWLGPUNFCCI-HSZRJFAPSA-N 490.582 0.362 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C5CCOCC5)C4)C3)c2c1 1839487983 PEFVCHNVYROSNZ-QHCPKHFHSA-N 453.499 0.931 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488721 FMRRNNMLCOOUJK-RCDICMHDSA-N 454.487 0.029 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1)C(F)(F)F 1839893782 PVXFEUREJTVIPD-GQIGUUNPSA-N 459.465 0.962 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840166310 BVWMYSDRKNJZBN-CYFREDJKSA-N 479.574 0.882 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccccc4C(=O)OCCO)C3)C2)CCC1 1840814561 QLIDEMPITUXRFE-DEOSSOPVSA-N 471.510 0.600 30 20 JCED Cc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819770 DPJXTPUQQUSFEX-QHCPKHFHSA-N 451.483 0.806 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H]3CCCOC3)CCO4)c2c1 1840877678 NNTILSGSPWCVJP-UZUQRXQVSA-N 453.499 0.931 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1840906458 BZDCMJZQKPSXPY-MBSDFSHPSA-N 473.530 0.463 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1840908086 ADLKPYRUBZGUOR-YDIMBITNSA-N 489.573 0.817 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)C2 1841600854 WRFTZUMIGARVNS-IBGZPJMESA-N 458.603 0.951 30 20 JCED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1)NC(=O)OC(C)(C)C 1841962562 UFCVXRFPJQVYQZ-GJZGRUSLSA-N 463.535 0.647 30 20 JCED CCn1nnc2c1[C@@H](C(=O)N1CCCC13CN(C(=O)C#CC(=O)O)C3)CN(C(=O)OC(C)(C)C)C2 1842056444 VQCAXVUVOJWEDW-HNNXBMFYSA-N 486.529 0.424 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)CN(CCO)CCO)C3)CC1 1845137810 MIQRNVOGIGAOJY-UHFFFAOYSA-N 493.605 0.017 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@H]2C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846119307 GUGQFVCZXVFGTF-INIZCTEOSA-N 488.541 0.041 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C 1847806776 SWUPZXUVJZXQSL-HVTWWXFQSA-N 476.574 0.598 30 20 JCED NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)cc1 18994988 WLGPBHGPEDKQCT-UHFFFAOYSA-N 458.543 0.605 30 20 JCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CNC1=NS(=O)(=O)c2ccccc21 109540276 XSLKUEIIJPCDIP-UHFFFAOYSA-N 464.463 0.964 30 20 JCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 410014214 XFZIJUZDGGVIOC-UHFFFAOYSA-N 473.551 0.364 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cccc4c3OCCO4)c2=O)CC1 516371435 QAGPKNBDMQOOCX-UHFFFAOYSA-N 466.563 0.729 30 20 JCED Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1S(=O)(=O)N(C)C 517116421 RQZLFKKUFUIZCY-UHFFFAOYSA-N 456.528 0.799 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)c(F)c2)c1=O 603794438 FAKPRVNPIYRPGG-UHFFFAOYSA-N 451.495 0.880 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)c2)c1=O 603794975 HKDAXCAAUGIDQB-UHFFFAOYSA-N 457.552 0.707 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)cc1 725737674 PRQRZNJCNSYXEQ-UHFFFAOYSA-N 452.496 0.758 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1CCOC 728557645 OLJSKDZCTLGLFH-UHFFFAOYSA-N 453.499 0.686 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 729674442 HFPVLFUNTDFGCT-UHFFFAOYSA-N 461.521 0.735 30 20 JCED CCS(=O)(=O)N1CCC(C(=O)OCCc2c(C(=O)OC)[nH]n(-c3ccc(C#N)cc3)c2=O)CC1 744990366 FMGYFJQENDFWPX-UHFFFAOYSA-N 490.538 0.971 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 825248909 INRNWTSPXOQTOP-UHFFFAOYSA-N 455.489 0.461 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(F)c3)c(=O)n2CCOC)CC1 838246395 NIRGWDUQWNUPLV-UHFFFAOYSA-N 474.558 0.371 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1c(C)cccc1C 838357265 SXWFNLCELITCDN-INIZCTEOSA-N 451.552 0.904 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc(C)c(F)c2)CC1 839358558 SPOWADHCSKXQGO-UHFFFAOYSA-N 480.569 0.747 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 916788549 FDWKRIIXKSCTQS-AWEZNQCLSA-N 481.556 0.226 30 20 JCED CCOC(=O)N1CCC(NC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 919316064 TXFHVDADHCUDPG-UHFFFAOYSA-N 451.501 0.753 30 20 JCED CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1288242684 LPWBRXRVQCJHLI-UHFFFAOYSA-N 451.535 0.518 30 20 JCED CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1301660411 JFDBKABFXXKSAU-GOSISDBHSA-N 475.575 0.583 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1503462423 QRTHAYDOCLNBTF-OALUTQOASA-N 476.559 0.534 30 20 JCED COCc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)ccc1F 1504635895 UKHRGPSRDSBGOM-CZUORRHYSA-N 452.512 0.951 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1 1509952930 JZTDTJYBXYAQTM-WBVHZDCISA-N 450.569 0.716 30 20 JCED C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCCn3cnc(C#N)n3)cc2)C1 1561547686 QDJOOPPZUBCMDP-HUUCEWRRSA-N 452.562 0.795 30 20 JCED COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1619323150 YUEBAYBPIFPZOQ-IBGZPJMESA-N 456.503 0.843 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1706076040 WVYFXTFLGFPKEQ-ZWKOTPCHSA-N 483.639 0.442 30 20 JCED CNC(=O)c1cccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1729652589 SSNJSMSDKZCZPP-VQIMIIECSA-N 489.602 0.809 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCNS(=O)(=O)c2ccccc2)n1 1742713184 LRCLCEQUGWJGNL-GOSISDBHSA-N 470.559 0.847 30 20 JCED CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1765850484 OATXDCGCTPXXSS-PMACEKPBSA-N 453.565 0.610 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1779066090 AIHNNOWONBDFTP-QHCPKHFHSA-N 470.551 0.898 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(C#N)cc1)C2 1779553199 KPUILYWTDKJWMV-YZUZCNPQSA-N 456.543 0.766 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782959999 CSZWROUMSTVPTJ-HOIFWPIMSA-N 483.587 0.310 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)CO1)CCO2 1783052959 KKZFAEMOHJSCKJ-QRWLVFNGSA-N 457.474 0.721 30 20 JCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2(O)CCCCC2)C3)c(=O)nc1O 1783116567 WOMZSSFNIOPGBZ-NTKDMRAZSA-N 486.569 0.470 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1784357615 YIYDRHYSCXLMKI-JPYJTQIMSA-N 470.530 0.882 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1785030078 VGIIQOBWYIGEFJ-NKCWYTJXSA-N 460.512 0.019 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1785308391 KEOJLYYNZCTEOX-GSHUGGBRSA-N 452.552 0.810 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1785575159 ZCQLBZWZBQXWBK-QVKFZJNVSA-N 467.592 0.750 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1785623147 IPCJLEASRXZDJE-NTKDMRAZSA-N 471.558 0.783 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1786560086 JMTAIQHWCFJQMB-ATCHWDNASA-N 454.552 0.820 30 20 JCED CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)CC1 1786726885 HSOGTSZVQCGTCH-CZXFOHMLSA-N 465.595 0.133 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1)n1cnnn1 1787198258 SXHKXONYXDOPFV-APYUEPQZSA-N 478.435 0.813 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788652588 IZCMLTXIVPTLKB-VJKQGGSISA-N 459.565 0.176 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788659299 XQSJTVXERLIQTR-RGHIGKISSA-N 460.535 0.786 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1789766570 NOJBVXRDHSLEGO-RABCQHRBSA-N 478.590 0.255 30 20 JCED CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5ccc(C#N)cc45)[C@H]3C2)CCC1=O 1790328742 NVWVTUGWKWLXLG-QOKNQOGYSA-N 463.498 0.636 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccc(F)cn4n3)[C@H]2C1 1790528283 LHKHLMRDDWYGKQ-XIRDDKMYSA-N 459.478 0.971 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792109362 GIRXFGFHWCWUHY-XSLAGTTESA-N 487.619 0.870 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1792567266 HEWDPQZUWJNADW-KHQYSNIRSA-N 464.563 0.759 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1noc(C)n1 1794060582 BTLYYKQKZVUVQQ-RCJHGTSTSA-N 461.519 0.427 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CC(=O)N3)C2 1797811775 HDVMMFWNKRAGCE-YRGWCREKSA-N 456.499 0.913 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1)C(C)(C)S 1799412291 MWZVDDSODWKKHI-YALNPMBYSA-N 482.607 0.469 30 20 JCED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)cc1 1799644997 WZBABIDMYZGFGR-HGKCTWBKSA-N 458.565 0.816 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1800991853 KWQJWIQCVRCAFG-XQPJFTJZSA-N 463.575 0.997 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2)NC(=O)OC(C)(C)C 1801928230 PVMFBRPDADGISN-KRXQYRFLSA-N 491.545 0.951 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)C2 1801988935 UMWLBIWJKVPNRI-BCDXTJNWSA-N 465.506 0.808 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1802124415 AHGLPIDHAPJCHE-KCYAQADSSA-N 450.536 0.004 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1802129099 ZCSSWONXROPNPT-BBPSPNIXSA-N 481.546 0.108 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1802483718 RZTFCDFKHGELGE-PGHKVSDBSA-N 452.471 0.461 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804094504 GAZOZYMUENDCIG-WZONZLPQSA-N 476.493 0.590 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)C[C@H]4NC(=O)NC4=O)[C@H]3c3cccnc3)c2c1 1804349757 WPRZZAUZWISFSH-FQELHTAISA-N 486.492 0.747 30 20 JCED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 1806901631 RJNRWMJFLZYMGS-QGZVFWFLSA-N 470.574 0.877 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)ccc1F 1808561101 NXUXZOYOZXAPLN-CPJSRVTESA-N 483.544 0.627 30 20 JCED N#Cc1cc(CC(=O)N2CCC3(CCCN(C(=O)c4cc(=O)n5[nH]nnc5n4)C3)CC2)ccc1F 1810488284 SVTVXEWOQQZMGW-UHFFFAOYSA-N 478.488 0.911 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]1c1cccnc1 1810567833 VXFWKFPJGPFLJK-SVFBPWRDSA-N 460.531 0.748 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1819451060 JDYDRIKQLLTVPM-JLBMLGSFSA-N 496.590 0.661 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670466 IFUYCEXEGHFJLS-WCQYABFASA-N 466.516 0.419 30 20 JCED CN(C)C(=O)NCC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828803386 NIYDCWIBIHUJIE-HSZRJFAPSA-N 470.530 0.623 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1828808152 MBGZHQYGIBNZQU-QHCPKHFHSA-N 464.482 0.749 30 20 JCED CN(C)C(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828931724 HRQQQPKXPJTIBA-VWLOTQADSA-N 466.538 0.940 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCN2C(=O)OCc1ccccc1 1828969345 AHKLVLLGKRYNCO-CYFREDJKSA-N 471.558 0.607 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCN2C(=O)OCc1ccccc1 1829261541 SSPXVPOFYAXECV-XXBNENTESA-N 488.566 0.929 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1829770169 FCPJKORJXMPVMK-XXGSHBOYSA-N 453.499 0.263 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1829770595 ZTCPERINMABZPH-YOXWTLATSA-N 450.442 0.288 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1829771491 RXVJHBRNBLXDNG-SWCTVEHRSA-N 486.525 0.071 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830059719 DOBLTSIXVGMWDE-ZHRRBRCNSA-N 468.551 0.268 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1831387949 UKZJNTHMCDGYNV-WZONZLPQSA-N 461.584 0.601 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1831391880 XBLGOJXVJIRJMX-AUSIDOKSSA-N 478.567 0.345 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831392282 CYCUYWLKFFTPLB-YDIMBITNSA-N 495.573 0.117 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1831433040 DSYHWSUCGDTLTQ-GKAYAJSDSA-N 450.532 0.789 30 20 JCED Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)nc2s1 1832109545 OGYJSHLAGBLVBW-HPARJBSBSA-N 489.602 0.570 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832534997 PGDIWCDIXYRJFW-IVZQSRNASA-N 461.540 0.447 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833713370 PMADNIYBIGTXMG-UHFFFAOYSA-N 484.663 0.271 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833969002 MKQIPWHGADRXDL-LJQANCHMSA-N 459.547 0.933 30 20 JCED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)CNCP(=O)(O)O)CC3)CC2)ccc1F 1834666112 FIUBMLMKWMLNKG-UHFFFAOYSA-N 495.492 0.536 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)C(C)(C)S 1834768601 FQYGOIQFWHZJCZ-IIBYNOLFSA-N 470.592 0.958 30 20 JCED CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1835057004 YBLOYACOIVBJBE-HXUWFJFHSA-N 461.607 0.704 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835351075 JIHGAEFYCJQMBP-WZONZLPQSA-N 495.598 0.890 30 20 JCED CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1835383277 MNULZHHCZUIKHR-FQEVSTJZSA-N 469.464 0.994 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835495614 MCUJDDATRKTDCX-YKSBVNFPSA-N 469.542 0.910 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CS[C@H]3CCCCO3)C2)C1 1835677817 OKHSQUSVRRETNQ-UGKGYDQZSA-N 468.620 0.984 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1835713138 HNMQMVBJEJPVBQ-FQEVSTJZSA-N 475.590 0.858 30 20 JCED Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)no1 1835774816 KFIPROJGMQHNLJ-UHFFFAOYSA-N 487.605 0.566 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C[C@H](N)c5cccnc5)CCO4)C3)c2c1 1835834621 OYMZBXYCGNWMDG-NBGIEHNGSA-N 489.536 0.990 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1835845014 ZRIWHKTWTHXXMC-GQBLCDNYSA-N 461.563 0.421 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169111 ZENXWGBCVNQPJE-FQEVSTJZSA-N 488.589 0.957 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836394884 YWJKMCYJVIHSSK-BMUPIEFHSA-N 472.502 0.328 30 20 JCED N#Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)CN4CCNC4=N)CC3)CC2)ccc1F 1836409190 SAILGXMDKBJSTG-UHFFFAOYSA-N 469.565 0.651 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836643786 KZBRHJFKAGLDJM-PHWUDJAYSA-N 455.511 0.305 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1837404909 CZWAUBWTFGRGGM-HXOBKFHXSA-N 499.580 0.975 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)no1 1837549421 VKRSDIACKIJMKZ-XMMPIXPASA-N 499.499 0.423 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837635637 COVLECWXJZIYKX-GRGOARACSA-N 475.542 0.482 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837650182 MDSUCOVHXLFDIJ-FDDCHVKYSA-N 468.514 0.321 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CC2)CC1 1838259254 ZUSGADXEBGVYJB-UHFFFAOYSA-N 492.492 0.271 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1 1838742217 YRZYTCGZFZXDHW-DEOSSOPVSA-N 466.494 0.986 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1C 1838834343 WENIJBZKJINPAT-HSZRJFAPSA-N 460.531 0.197 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1838953133 PNBPZVUJQFIBOG-LJQANCHMSA-N 454.405 0.307 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1839175532 OSTQXVLWPWNHKV-DEOSSOPVSA-N 483.525 0.847 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187537 IJECISJZAGUJIV-SBUREZEXSA-N 470.505 0.624 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839203564 OWBVQBBZMVLUBW-KSFYIVLOSA-N 468.551 0.268 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)cc(C(F)(F)F)c1 1839443263 WBWFQNZKKGZXCG-UWJYYQICSA-N 497.474 0.240 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839569420 FLZHTQUNLDQPLA-HSZRJFAPSA-N 454.531 0.686 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1839654977 WYMUGFNLICBMHQ-QFIPXVFZSA-N 475.571 0.121 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)CCO2)C1 1839801161 XVVFQGYJRBYUFD-DVECYGJZSA-N 492.594 0.517 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1839889888 VFDJBWYZXUTCOP-FQEVSTJZSA-N 484.525 0.559 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1)C(F)(F)F 1839891726 UJZPBJMJRKZRNM-CYBMUJFWSA-N 466.306 0.917 30 20 JCED C[C@H]1[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCCN1C(=O)OC(C)(C)C 1840043855 XRQLIBDQWDGFOK-XFAGBWLFSA-N 493.557 0.566 30 20 JCED CC[C@H](C)[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840043871 YYGNGGRTNDCCAY-RHGYRFJNSA-N 495.573 0.860 30 20 JCED Cc1ccc(C(=O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1840098113 CVLBHSADZCUMHK-DEOSSOPVSA-N 456.543 0.916 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840159814 OHEAPVNOYPDJGH-AUUYWEPGSA-N 457.574 0.015 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1840166500 MCHZKNGCOJPEEE-RUZDIDTESA-N 467.522 0.933 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840714802 HUXJRIHDFKIQCL-XKDCRVNJSA-N 474.514 0.448 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(=O)OC)cc1C)CCO2 1840786198 KBNFEHXSXHDMFQ-CNXHMKESSA-N 485.537 0.710 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1)NC(=O)OC(C)(C)C 1840795437 IHPRLIGHEUZYJI-JTSKRJEESA-N 455.552 0.949 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C2)C1 1840841432 YYKONNDMZYSUFA-VWLOTQADSA-N 482.512 0.914 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845013595 MLUOIIZRFKQHGT-AWEZNQCLSA-N 458.540 0.083 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC(=O)NC2=O)CC1 1848068352 DUIGVSCNMALRDB-HOTGVXAUSA-N 488.545 0.281 30 20 JCED Cc1csc([C@H](C#N)C(=O)COC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 17183188 LWQQCHFQKJZTOY-OAHLLOKOSA-N 464.525 0.851 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 502554944 NYHPWQXDCBUWNI-UHFFFAOYSA-N 491.614 0.374 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 516046539 AQZWDLBBYPBJJI-UHFFFAOYSA-N 466.483 0.006 30 20 JCED N#Cc1ccc(N2CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 516703697 QLONXTROESBGSM-UHFFFAOYSA-N 459.488 0.672 30 20 JCED COc1ccc(OC)c(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccnn3C)c2=O)c1 522535309 YYGSDROEOHFXKR-UHFFFAOYSA-N 467.551 0.925 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OCC)c2)c1=O 523477585 FSGNHSPIPPELGK-UHFFFAOYSA-N 457.552 0.707 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1CCOCC 523745103 LXBMWQRSHRHVOH-UHFFFAOYSA-N 459.524 0.713 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(OC)nc1 524275069 IUYNIEVUBFTGCJ-UHFFFAOYSA-N 481.490 0.476 30 20 JCED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)cc1 589157043 GBBGPHRDHHVRTG-UHFFFAOYSA-N 485.518 0.324 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)c1=O 603724444 YIADWZQRAAZZIQ-UHFFFAOYSA-N 493.524 0.484 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc3c(c2)CCO3)c1=O 603987500 MNEMOGSHXXUQPJ-INIZCTEOSA-N 471.579 0.925 30 20 JCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)c2)CC1 608795883 DASGLHPTAIIBQM-UHFFFAOYSA-N 496.593 0.782 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c1=O 610487114 DYIUKXBQSSCNQG-AEFFLSMTSA-N 470.595 0.988 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1 642960768 GZQPXMQHUWSWSJ-FQEVSTJZSA-N 465.620 0.820 30 20 JCED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 843497154 FSUNMRHDOOZIPR-UHFFFAOYSA-N 462.553 0.955 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)CC2)o1 919132343 WVSVNUGUPCIPCK-KRWDZBQOSA-N 458.519 0.974 30 20 JCED C[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 919316252 ZGDJKXCKFPPRSM-INIZCTEOSA-N 473.507 0.982 30 20 JCED Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n2nc(C)cc2n1 919528703 FZRYWDDYSDCRHK-UHFFFAOYSA-N 482.522 0.908 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(=O)N2CCCC2)n1CCCC(=O)N(C)C 1305121623 JXZOWTOXIYHRSS-KRWDZBQOSA-N 480.577 0.759 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CCO1 1315018469 UURMFARAJHZONK-TZIWHRDSSA-N 483.573 0.527 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1360672149 MTOOQLDJAWFJSE-NJAFHUGGSA-N 493.613 0.974 30 20 JCED COc1ccncc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1504461695 YNFUGPJTYSFGEY-APWZRJJASA-N 465.511 0.505 30 20 JCED CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1508204853 WCGCCNYQTLAQBQ-LJQANCHMSA-N 489.602 0.925 30 20 JCED Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1554350096 NWQIUXUXQBIUIR-OAHLLOKOSA-N 451.578 0.391 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCOC1 1611705380 RLPVSOHFMIADDG-YCRPNKLZSA-N 493.565 0.377 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1611707854 ZSJNNFVDBLALQE-RDTXWAMCSA-N 490.565 0.843 30 20 JCED CCCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1728206056 WDAFBWTZSABGRA-MRXNPFEDSA-N 456.576 0.972 30 20 JCED Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)s1 1751582277 ZXRLETSZGPEGFI-LSDHHAIUSA-N 452.562 0.859 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c2ccccc21 1778166564 HAAFPYYHEZPYDP-ZVWIGDQWSA-N 465.510 0.882 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)NC(=O)OCC)C3)C2)c(O)n1 1778779912 DRXLIYAEHFPYRU-AVRDEDQJSA-N 462.503 0.414 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1779139787 KJEJPUKESYBFFN-JBMWNJKUSA-N 471.539 0.434 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780936893 ZSMXMSCVTDLTFV-QFIPXVFZSA-N 474.587 0.003 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)[C@H]4CCC(=O)N4)CCO3)C2)CC1 1781169923 DTNARJRJVYZKDW-OSPHWJPCSA-N 489.573 0.636 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c(C#N)c1 1781171468 ZQRRXAGFWBXKOY-DEOSSOPVSA-N 466.494 0.254 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1781354482 UNLIMZUHWNXBIT-ZHRRBRCNSA-N 461.519 0.606 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)[C@@H]1CCCS1(=O)=O 1781654472 ILGUHOQNVRKOPO-NNMXDRDESA-N 466.600 0.776 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782015219 BDVJCJRTDILAIK-HZCFWTAGSA-N 475.542 0.845 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782749779 OLBABGOCWKIQCD-MWTRTKDXSA-N 496.561 0.219 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1783270183 UKEGHIWUHZDIIP-FGDDKPPBSA-N 476.574 0.553 30 20 JCED CCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563875 DJNPCYCJHUDSIE-KSFYIVLOSA-N 483.587 0.941 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1784373636 RUENPPASLIWSOZ-OFNKIYASSA-N 468.489 0.611 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](Cc4cnc[nH]4)NC(C)=O)C3)C2)c(C#N)c1 1784373690 UCSTZPZZPQESAF-RDGATRHJSA-N 494.552 0.410 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)/C=C\C(=O)NCC=C)CCO2)C1 1785572373 NIHLGDJQRSONBJ-KKLRGSPBSA-N 474.558 0.591 30 20 JCED COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1787628130 OEOJIUQPYNTIME-DXOXABKMSA-N 463.535 0.652 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 1788637719 RUIWARLKWYDDRD-IHPCNDPISA-N 456.543 0.958 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCS(=O)(=O)CC4)C[C@@H]32)c1Cl 1789267683 XCPBTRXVIPOYSU-WDSOQIARSA-N 495.001 0.535 30 20 JCED O=C(Cc1cn2c(nc1=O)SCC2)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1789709750 MJRZPVQYAKMCKG-VLISIZIXSA-N 488.614 0.343 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNCP(=O)(O)O)C[C@@H]32)c1 1791985156 VORNPDPVRLNIKS-QZHFEQFPSA-N 464.459 0.632 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]cnc1-c1cccnc1)C2 1792489894 ACJSRTVPPAYXCR-YKVIEXEGSA-N 450.499 0.533 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1793005489 VNRLJIDDEONBEH-SOCFIORRSA-N 450.536 0.369 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1795598111 GVPYXMQTHAAESI-CWPLJXCYSA-N 454.531 0.540 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598417 VQRRGXKIUSCLAE-XMTFNYHQSA-N 463.579 0.867 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796350003 MNDLRPKGVWJSMM-VYWQPJFJSA-N 489.529 0.560 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)c(Br)n1 1798388922 XLTXOJSYCGPYRL-LEDMXFKVSA-N 493.358 0.914 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)c1 1798862688 MNNSGGOBXOQYGE-XEMDLRDOSA-N 451.439 0.532 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799151305 PSQHNKDGKRKWAD-DUXQTRJFSA-N 457.571 0.676 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2)c1ccc(O)cc1 1801053411 FOQDVMCNEHVEHZ-OVCNXMPXSA-N 466.542 0.812 30 20 JCED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801994514 ODUYDFZUTVMDDD-IRJINJETSA-N 475.542 0.596 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 1802026585 YMULZRBZZXZPMZ-XCRACJGTSA-N 457.527 0.924 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c1 1804095106 YMTBKCOURGZBNQ-VGOFRKELSA-N 476.493 0.833 30 20 JCED C#CCCC(=O)N1CCC2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 1806900177 ABAKGWJXKPGJGN-UHFFFAOYSA-N 454.531 0.078 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807146988 DTNJEAYFDWSLKD-AABGKKOBSA-N 458.563 0.520 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CNC(=O)c2ccco2)[C@@H]1c1cccnc1 1807585773 NRXLRJKCAVCNHB-VQLQEPDVSA-N 465.510 0.969 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809664444 JHMYYEKMNMNPTR-AAIMPIBUSA-N 457.575 0.843 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1810087539 MNCUDCIXKYGDGG-XIJLZZFUSA-N 459.503 0.010 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1815670628 DHRLYABBDOLDSB-ZFJBLLOBSA-N 476.559 0.844 30 20 JCED COC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819776417 BNWYCISMJJKDLG-OPBOMBAJSA-N 450.565 0.678 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCCC1)CCN2C(=O)OCc1ccccc1 1828497121 OJNQENNUVGXULE-RUZDIDTESA-N 482.537 0.622 30 20 JCED CC(=O)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828837218 MPKCROGYQVVRGF-XMMPIXPASA-N 469.494 0.896 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829132835 GLXROMHYLZANGW-DHLKQENFSA-N 499.568 0.393 30 20 JCED Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)cnn1C 1829332523 PWSPPEDWUQVZPE-RUZDIDTESA-N 493.520 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C(F)(F)F)C2)C1 1829764288 JFOUOILDYGBVAO-FBQMEGEOSA-N 485.463 0.367 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)C1 1830054411 QCRHOKRXWYROQG-DEOSSOPVSA-N 484.557 0.028 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]3C[C@H]3N1C(=O)OC(C)(C)C)CCO2 1830748435 NDUMCWJFQAKLRU-HNNYQGJMSA-N 491.585 0.879 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3[C@H]1O)CCO2 1830819712 QFRMLWHSRFBNRB-QNGBZWNWSA-N 483.565 0.597 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1830836476 WBFJSELPTVXMGS-NIYFSFCBSA-N 499.564 0.649 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831434192 SLPXNBDQLHQWAI-QFWMQHCXSA-N 497.589 0.406 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1831492317 JXECVNAYCWLLNZ-KJXQILNXSA-N 465.572 0.863 30 20 JCED Cc1cccc(C)c1N1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1=O 1832545605 WGAQFQLNLSIBES-DFBJGRDBSA-N 483.521 0.201 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCc4sccc4C3)CCO2)C1 1832584821 TVYVFJLVDDIDDS-DEOSSOPVSA-N 489.642 0.844 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)CCO3)C1 1833024799 XRZJQPQDSYLRCW-WNSKOXEYSA-N 458.515 0.415 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C[C@H](N)c3cccnc3)CC2)CC1 1833076129 YTDBGSPJOHMRRP-LXHZQTKUSA-N 468.602 0.902 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833617478 IVQRXKLHHZGETI-DEOSSOPVSA-N 456.543 0.792 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncn(C)n2)CCO3)cc1C#N 1833886444 VIFIXCWDSHQWPV-HSZRJFAPSA-N 468.514 0.858 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100139 BQHROKNPKGJDDX-DFBJGRDBSA-N 477.521 0.103 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835435919 WURQSXNUDNFCKT-UUOWRZLLSA-N 494.589 0.228 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)cc(C(F)(F)F)c1 1835637624 LBFNGHPKOAOUKI-OAQYLSRUSA-N 494.474 0.487 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@H]1CNc3ccccc3C1)CCO2 1835772411 KIQFCSUYAROJEH-HOYKHHGWSA-N 455.511 0.595 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn4ncccc24)CCO3)cc1 1836466825 MNRLVKVVFOYVNW-XMMPIXPASA-N 460.494 0.914 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836780616 FUVISEWBKYPYOQ-HXUWFJFHSA-N 467.473 0.298 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836995453 BGVWWASELGDKBL-UHFFFAOYSA-N 475.542 0.810 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837016174 OHVBAKYZFVVUEX-YRGMOVRHSA-N 472.502 0.328 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837297074 OJSVVIYBXLYMHX-ZQMYSKGWSA-N 474.514 0.978 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837385376 QLFRSWPNZKCUAR-IQMFZBJNSA-N 483.529 0.212 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1837399701 ZTJONDYPXMHJLO-DVECYGJZSA-N 469.542 0.910 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531080 BTTNXVXVCRWESN-PBPYGMEZSA-N 475.502 0.006 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837767877 OVRUJQIUTWOTGW-VFNWGFHPSA-N 455.458 0.905 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838424951 ACHNHENSBJWSKT-ROZQTZPBSA-N 472.502 0.328 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)c21 1838439589 SQTKFYOIWBTKTI-PODSUIKTSA-N 484.557 0.821 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1839129783 KHGLISDUGXBOOP-GAJHUEQPSA-N 479.530 0.178 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)c4ccco4)C3)C2)c(C#N)c1 1839131245 TZWYHCQGSNONTF-ISKFKSNPSA-N 469.494 0.892 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C3)C2)c(C#N)c1 1839131535 JRPDVABBMUHXSQ-SBUREZEXSA-N 493.582 0.246 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)ccc1F 1839187004 CSRNJVGIJXFZKW-OAQYLSRUSA-N 472.433 0.641 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839772740 HQRSFRARSKDULL-PGRDOPGGSA-N 452.548 0.967 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C2)C1 1839809693 IBVTZTKSXOYLOP-MIVHDCIWSA-N 463.531 0.100 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1839890461 BYFINAGHMOYIIU-HXUWFJFHSA-N 464.506 0.724 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1840175984 PXZMUOQLAJYOJN-ZHRRBRCNSA-N 469.535 0.475 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)cc1C#N 1840762741 NMOUFACBVJYZIV-CVDCTZTESA-N 472.498 0.524 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840770491 BLFYUETXMIWLBU-IQGLISFBSA-N 481.505 0.224 30 20 JCED COCCOCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814946 NWDLBXQOJVCUBD-XMMPIXPASA-N 497.589 0.223 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840901262 CJZOHVPHSIMDLX-JIPXPUAJSA-N 497.592 0.960 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1840908337 JOFRHVWPPWCVHV-MHECFPHRSA-N 489.573 0.715 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1840908700 OONPRAVEAYQBPD-IEGUWTFLSA-N 465.547 0.396 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]3C[C@@H]3N1C(=O)OC(C)(C)C)CCO2 1840911853 NDUMCWJFQAKLRU-RLTOQUHHSA-N 491.585 0.879 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CC(N)=O)C1 1841656949 CWLYDVMCAHHWRD-HZPDHXFCSA-N 495.577 0.507 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1844238328 VWPPTXHBCOKXRG-ZACQAIPSSA-N 451.564 0.991 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2cnccn2)C1 1844333872 PWMSKLYNRZDECX-DLBZAZTESA-N 484.557 0.715 30 20 JCED C=C(Br)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1846296556 YHTWPALOMNSKSS-LBPRGKRZSA-N 462.341 0.693 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CNC2=O)ccc1Br 1848032302 QSGYSJFHMNPUME-GJZGRUSLSA-N 460.288 0.688 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(Cc2cccs2)c1=O 502052575 TZGDNXVVJKRLJE-HNNXBMFYSA-N 455.565 0.551 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC)c2=O)cc1OC 507084880 CQQYZUPOUUKWOD-UHFFFAOYSA-N 473.551 0.707 30 20 JCED CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 523256879 YRDBATONXOPIFY-UHFFFAOYSA-N 489.557 0.984 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)c(F)c2)c1=O 523733225 IXYIOQCGJIFWFV-CQSZACIVSA-N 463.531 0.748 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C)cc2)c1=O 558647563 YJRWWIFKFPKZTD-UHFFFAOYSA-N 454.596 0.922 30 20 JCED CCN(CCCN1C(=O)[C@H](CC(=O)NC)S/C1=N\CCc1ccccn1)S(C)(=O)=O 726110674 CUQDECFBWXFSSL-VFOOBRQFSA-N 455.606 0.732 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1=O 748564519 KYDCUYGZVAYKQX-UHFFFAOYSA-N 481.488 0.535 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 769644958 KHPXRNXJKMQDIK-NSHDSACASA-N 498.439 0.940 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 838251202 QOMAEACSJPMPSD-UHFFFAOYSA-N 491.953 0.343 30 20 JCED C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)Nc1cccc(C#N)c1 912685705 VMXJBWZQVVNAFI-AWEZNQCLSA-N 456.480 0.863 30 20 JCED CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)N1CCN(C)CC1 918252487 ALZANSUXMHITML-DFOVGDGWSA-N 492.646 0.826 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)COc2ccccc2)c1 918271387 XHUWQGGHJFBPHY-MQPOEVEDSA-N 474.539 0.994 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CS(C)(=O)=O)CC1 1301968872 RBLNKXJHQNVFMB-GJZGRUSLSA-N 474.609 0.032 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCOC1 1497039004 RIGMCHOQSIXHPW-QHCPKHFHSA-N 468.562 0.941 30 20 JCED C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507786250 WDSDEDIURFBJTD-INIZCTEOSA-N 469.384 0.671 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1510178292 UINVHHCEAKZFAX-AEFFLSMTSA-N 480.639 0.571 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1510201566 VNUZBJZGYSUTQW-HDMKZQKVSA-N 458.610 0.986 30 20 JCED CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1=O 1614873499 YOVIBXIJVYGFDK-QFIPXVFZSA-N 472.571 0.815 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCOCC2)c1 1649669088 MNNOXUQRUHSHRA-GOSISDBHSA-N 490.586 0.856 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1697024073 WSPMPMJDMQFSJO-IBGZPJMESA-N 486.602 0.948 30 20 JCED CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1731013656 BVTWKUAZVTUDIQ-DYESRHJHSA-N 460.560 0.734 30 20 JCED N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCN2CCCS2(=O)=O)CCO1 1731187315 NDWUYVWEYRDNHA-HNNXBMFYSA-N 450.496 0.760 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCC(=O)NC1CC1 1761498605 HGLCRCNMNHQEOZ-WMLDXEAASA-N 464.596 0.124 30 20 JCED Cn1cc(-c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCNS(C)(=O)=O)cn1 1767465314 RTNNLZOUUGNMMO-GOSISDBHSA-N 456.532 0.677 30 20 JCED CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CCOC1 1769781233 IVSACERTUDLTPS-QHCPKHFHSA-N 470.530 0.829 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777703484 ZATDBQHCFBZFLV-IYZQMXKPSA-N 453.499 0.357 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)ccc21 1777865930 DHVMDMBYRUYZEZ-SFFGGSCWSA-N 468.558 0.792 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779424022 NMFMLQZHCNANHZ-XSILMXFSSA-N 498.577 0.872 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)c5nccnc5C(N)=O)C4)C3)c2c1 1779876165 FFTLSECVZNCRHH-QFIPXVFZSA-N 460.454 0.081 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)csc2n(C)c1=O 1780923668 FABPJSLTMGTWQT-QHCPKHFHSA-N 496.549 0.185 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 1781408727 WGEPSJVEWSGLQE-KSEXMQBYSA-N 472.498 0.834 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cc5n(n4)CCNC5=O)CCO3)C2)c1 1781961665 LJWGYPRQDPQFGC-QFIPXVFZSA-N 452.446 0.395 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782800677 JCZMQMNWHVPUMK-LOSJGSFVSA-N 485.537 0.170 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565727 YCMXWRVTYBMVNH-LEWJYISDSA-N 453.467 0.253 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)C1 1784191562 BXLYAOKHYAZYPS-XSLAGTTESA-N 462.547 0.906 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1784506130 HXBIJAZGMSQBFP-YRIPFXIYSA-N 481.590 0.785 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785304055 VGNVTTSLTNQUTN-HKARXFIJSA-N 481.594 0.269 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC(F)(F)C(=O)O)CCO2)C1 1785574336 HKJDWKYWLJQFCE-VBKZILBWSA-N 473.473 0.843 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1785576135 HLGPVJLWXFJQKG-YCRPNKLZSA-N 452.508 0.089 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1785596747 WPPSDIYCQVJHCY-DURYTUKUSA-N 473.530 0.683 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)O4)C[C@@H]32)c(C(F)(F)F)n1 1787198591 PYFBQSWPUFITNT-HJPIBITLSA-N 467.404 0.674 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc[nH]n3)[C@H]2C1 1790660123 HNIBIESCKFJAPS-KANFNMMFSA-N 459.547 0.849 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2 1793007834 SWRCCFREPSYCHD-YYIAUSFCSA-N 451.568 0.792 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1793347942 QYAKXATVZBXQPC-AWJHCHFGSA-N 455.555 0.250 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NC(C)=O 1793381389 DGKVIXUJRHKMQF-XMTFNYHQSA-N 464.563 0.407 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(F)F)cn1 1794454135 UHCKIPVTVHMCSX-KUIZXIRVSA-N 450.442 0.745 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2 1797811722 TWKYDFZCZSGEMB-GTZTZOHHSA-N 468.514 1.000 30 20 JCED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799748676 NJQJVAFSEGZOOR-OPMZPASUSA-N 463.506 0.970 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2)c1ccc(O)cc1 1801056055 GLDTYBZGYJZUAW-CEMPCABHSA-N 473.526 0.543 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802077774 QDZJVXFDYNNUKC-MJWHOKRKSA-N 457.483 0.265 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1802138466 HMFPKXBFCUZDDT-AJFQYHAUSA-N 479.578 0.317 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810331866 OZEYVOMFWZEJFQ-CYFREDJKSA-N 464.522 0.711 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1810361719 ZXZBRKNUEUNLIM-QATKMVQESA-N 472.502 0.168 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2n[nH]cc2I)[C@H]1c1cccnc1 1810820562 JSZCMNQXFGDKSF-YVEFUNNKSA-N 493.261 0.817 30 20 JCED N#Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)[nH]n2)cc1 1814497870 JANSSJYOIRUUKJ-QGZVFWFLSA-N 472.469 0.956 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1819363586 HXRGFYDRVZHZOE-KGLIPLIRSA-N 455.479 0.415 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CS(=O)(=O)N1CCCC1)CC2 1822925071 WRKSMAUOCKYXAD-AWEZNQCLSA-N 484.600 0.990 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1824491398 QUYQFLJFVLNCDS-ICSRJNTNSA-N 453.605 0.375 30 20 JCED Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=N/N2CCCCC2)CC3)c(=O)nc1O 1827994337 JPAGEUOIZKRFPI-KHAGQWAKSA-N 473.559 0.798 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1829332179 BGRHAMUMOCKAHP-HSZRJFAPSA-N 482.449 0.534 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829476175 OWTHLZUKXDQHSZ-YCRPNKLZSA-N 463.560 0.425 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829903125 IWOKLIFCURVUOK-HXOBKFHXSA-N 457.531 0.265 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCOC[C@@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)C1 1830063837 ZHQLNDWKQOELFZ-OAQYLSRUSA-N 468.526 0.952 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456566 MNBDGZQLIGMAMT-DEOSSOPVSA-N 456.543 0.862 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1832458290 KQJGWRDMVQHLRA-IEGUWTFLSA-N 499.630 0.590 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1832793406 XNIKBWBFNMUKFT-IBGZPJMESA-N 490.524 0.997 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1833335270 RXUBUMOQFGVITL-UYAPEEHZSA-N 489.529 0.639 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CC(=O)Nc3cc(C)on3)CC2)CC1 1833465707 QBCOGNUXRPWXOR-QGZVFWFLSA-N 459.547 0.922 30 20 JCED COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1F 1833485086 YYKQNURXPDMGFV-QFIPXVFZSA-N 463.510 0.581 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1834109910 XWGLEZBMRUVECB-OPAMFIHVSA-N 461.519 0.396 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834605521 ARGGHHZTSZHSTJ-SFHVURJKSA-N 451.568 0.747 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834860247 OUMPFKSEOJCPHD-UOKFIYJESA-N 495.573 0.865 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835096508 FURUMVFTPUZHSZ-SFHVURJKSA-N 480.562 0.186 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)c21 1835677923 QVKBOVZKWLLBTI-DEOSSOPVSA-N 484.557 0.631 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835833824 GRSGFQZSVYDSBW-CVDCTZTESA-N 460.531 0.437 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1835844206 MABIFCRWTOYYAA-JOCHJYFZSA-N 495.584 0.771 30 20 JCED N#Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)ccc1F 1836409071 DNUFCYZCCHOVNX-OAQYLSRUSA-N 472.565 0.404 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445460 ZMBGBOWDCGWYLB-XGVLDKRDSA-N 497.556 0.982 30 20 JCED Cc1nnc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C/N=C/c2ccco2)CCO3)s1 1837560143 PYWSSXHQFDIOID-FFCJBUTOSA-N 461.544 0.948 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)CC[C@@H](N)C(N)=O)CC4)CC3)c2c1 1837882662 JIPAVWBHPPYQRW-LJQANCHMSA-N 481.557 0.640 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C)nc1C(F)(F)F)CCO2 1837957886 QZKMXUNFIHLPJE-FBQMEGEOSA-N 485.463 0.367 30 20 JCED CCc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)co1 1838135331 GLYKXYJIGHHAKI-XZCAYTCKSA-N 450.492 0.836 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1838300528 URPBDAQMNBHDFB-UHFFFAOYSA-N 492.617 0.659 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc[n+]([O-])cc4)CCO3)C2)c(O)n1 1838333357 DROMSLKCINTAOL-DEOSSOPVSA-N 468.510 0.923 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)N1CCN(C)CC1 1839103800 XLTGVTYQAQPNPN-KBMIEXCESA-N 487.576 0.332 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186072 YRHCNQLBBYTEPN-NZQKXSOJSA-N 460.506 0.611 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c(C(F)(F)F)n1 1839235659 FZDNQWODYNZDPD-IBGZPJMESA-N 479.419 0.334 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)c(OC)c3O)CCO2)C1 1839375744 JAMZNWGGOJWRJT-HJPURHCSSA-N 462.499 0.518 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)c1 1839420201 VIHOLAJKNMEMDM-JOCHJYFZSA-N 469.429 0.569 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1839649820 LXFKZIOEERLONM-DEOSSOPVSA-N 450.495 0.623 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652715 RTJDTJGWBAKVHC-XMMPIXPASA-N 481.509 0.522 30 20 JCED CCN(CC)[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1839729517 HSLQZVMNXLUWBY-ISKFKSNPSA-N 457.527 0.614 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)ccc1Br 1839873464 XGPYCLINIDEMLZ-IIBYNOLFSA-N 491.342 0.527 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840008298 FIRISDWXZLQPLX-DHIUTWEWSA-N 497.520 0.270 30 20 JCED C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042894 UUTBJRDMSVWVQU-YQOVMPOYSA-N 493.557 0.566 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3noc(-c4ccccc4)n3)C2)C1 1840043011 BXYQOGYKVHSBIW-HSZRJFAPSA-N 468.466 0.214 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1840164481 LGIGWUMPBVQKPI-QDGJQWLKSA-N 487.619 0.522 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C(=O)OC)cc1)CCO2 1840278126 UGFXIIJNYKECIJ-RRFNBQSRSA-N 485.537 0.331 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1840347034 ZEWKZJNGXQXXGM-GVFUYMABSA-N 460.579 0.818 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1)c1ccc(O)cc1 1840551285 UBRPIGUVUUJBOY-GBXCKJPGSA-N 492.594 0.780 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840856303 KWXHBLSCTQVOIR-GBXCKJPGSA-N 474.533 0.879 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840905296 GDACRBMBAZQUJB-DVECYGJZSA-N 474.558 0.982 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C)CCO2 1840912539 LKTSDCOHDDCTJU-BWSHLYMBSA-N 491.585 0.951 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)C1 1845105332 JLLSPAXMXPUVCQ-IAGOWNOFSA-N 463.579 0.699 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(C)=O)C1 1845991008 NGGNLYNIAOUHTA-MRXNPFEDSA-N 481.550 0.131 30 20 JCED CC(C)(C)c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1N 27089966 AUJHSNDMBDKUAN-UHFFFAOYSA-N 463.589 0.786 30 20 JCED Cn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nnc1N1CCOCC1 33142179 VVOIHMCIDYFDPY-UHFFFAOYSA-N 491.599 0.149 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(S(=O)(=O)N(C)C)CC3)nnc12 36820992 VZQWHJBQLKUHAG-UHFFFAOYSA-N 491.599 0.273 30 20 JCED C[C@@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)o1 514521012 JDXFSEVACBRSJV-QAPCUYQASA-N 468.579 0.913 30 20 JCED CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 518127817 IISFSTQCNGRRPU-UHFFFAOYSA-N 455.496 0.988 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1-c1ccc2c(c1)OCCO2 520335008 CPQLZHBJGQOFTB-UHFFFAOYSA-N 493.541 0.944 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cccc(OC)c3OC)c2=O)cn1 522388238 BXBOYCIVMHMGQJ-UHFFFAOYSA-N 497.577 0.788 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2CCc2ccccn2)CC1 523859094 CRERNCMNLSGLSG-UHFFFAOYSA-N 480.619 0.671 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1 642803490 NMYCURPMCGPDSA-SFHVURJKSA-N 452.577 0.905 30 20 JCED CCCOc1c(Cl)cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1OC 727163774 IHRXARUZAITBIR-UHFFFAOYSA-N 496.998 0.936 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1 727767061 NDIRRIVQQFLYIB-SFHVURJKSA-N 461.525 0.121 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CC1 728534027 DISPHVDFPNYXPZ-OALUTQOASA-N 460.600 0.860 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCOC)c1=O 748784559 JNVVKCYCIBCMDB-UHFFFAOYSA-N 488.522 0.225 30 20 JCED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3c(C)nn(C)c3C)c2=O)c1 913151618 QFVYEYPBTAKWPS-UHFFFAOYSA-N 476.562 0.989 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 916710078 AXHJXJIJDSXTQF-LVZFUZTISA-N 472.593 0.455 30 20 JCED Cn1c(=O)c2c(ncn2CCOC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)n(C)c1=O 925050252 PDWDQVSROAZALV-UHFFFAOYSA-N 484.416 0.760 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1298286586 XWQNEBPRNZSVLF-NQIIRXRSSA-N 492.627 0.987 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1302497600 YHLSLVJTYWIOSV-UHFFFAOYSA-N 458.548 0.360 30 20 JCED CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1313544424 IZYWXOHXUHUPBW-OAHLLOKOSA-N 492.581 0.704 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)CCOC)CC1 1515991105 KXSYIAZHMJRUCK-QHCPKHFHSA-N 455.563 0.862 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1539803198 GWPIHSWHOAVLMJ-HZPDHXFCSA-N 471.971 0.675 30 20 JCED CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1554396044 SGCKAGPDNYVSCA-WBVHZDCISA-N 460.560 0.982 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1611663768 QBAZUDJDFGLILL-WMLDXEAASA-N 466.589 0.831 30 20 JCED Cc1nccc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)CC2)n1 1693378999 LYYHPDZLCILBMN-UHFFFAOYSA-N 467.559 0.791 30 20 JCED COC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)OC 1712156725 GHNFEFNQAZOVPD-CVEARBPZSA-N 456.569 0.402 30 20 JCED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1=O 1728599295 AQCQDQRMWUFWGI-HSZRJFAPSA-N 453.547 0.854 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC2CCS(=O)(=O)CC2)cc1 1750384645 IJVFQWKXCVQBNT-UHFFFAOYSA-N 458.544 0.880 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)nc3cccnn13)C2 1779334132 YLLLYAXREYLMPD-QZTZHPFYSA-N 469.542 0.790 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ccc(OC)nc34)C2)C1 1780041142 WBFJVXPHZNKJPX-DADDIACRSA-N 453.499 0.873 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n(-c2cccc(=O)n2C)n1 1780333928 BKBINDSCZHHMFA-XMMPIXPASA-N 475.509 0.837 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)N2CCOCC2)C3)c(C#N)c1 1780686769 GQOURVPEXXPFDC-NMVJMZGASA-N 486.569 0.274 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1Cc3ccccc3C1=O)C2 1782010253 JJORLSCXJZYZTI-NTKDMRAZSA-N 453.495 0.634 30 20 JCED Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c(-n2nccn2)c1 1782013463 NCOLYHUXHAGCSI-AUSIDOKSSA-N 451.483 0.791 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783679652 MEYYBIXLNHXEFN-QHCPKHFHSA-N 472.579 0.495 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1785593664 FPBOSANNLCCRGI-PUZWTLIVSA-N 478.590 0.618 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1)c1ccc(O)cc1 1787093093 BRYRIWJWGITXDW-ZFMNYDKASA-N 452.515 0.556 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4nc(N5CCOCC5)ccc34)[C@H]2C1 1787178630 UASZIQYHJCNWAC-BJLQDIEVSA-N 466.542 0.573 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788111331 RRMJQRRRNKOBNO-WNHJNPCNSA-N 472.608 0.439 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791076422 CJZMGKYAWTUHFC-XLAORIBOSA-N 479.530 0.080 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C[C@@H]21 1791266732 HWQJPKQTFXDSAQ-UHMOLFJZSA-N 497.639 0.619 30 20 JCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1791270729 UMGSOCJIYIPRER-OMZCGLGVSA-N 463.575 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)c1)C2 1792490804 NUQUDWMRJSLUDC-MCTZMUKVSA-N 468.554 0.585 30 20 JCED NC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1794266203 RGEFHRLTHRUDOI-YCUSNSCCSA-N 454.508 0.884 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O)NC(=O)OC(C)(C)C 1795362720 RGHXNTKEKZAVMN-RCJHGTSTSA-N 473.592 0.480 30 20 JCED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)c1 1796441050 HGBDXRGUUDYWMK-CWPLJXCYSA-N 464.519 0.326 30 20 JCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@H]2NC(=O)NC2=O)C3)c(C(F)(F)F)n1 1796459411 MKYOFNKOHYEBRV-GFQSEFKGSA-N 464.404 0.822 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(=O)(=O)CC)cc1 1800432215 QKTVAHDVGLCWET-UYZIEWPDSA-N 462.568 0.651 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800778637 KOMPLHFKMYFRQM-QIEVIBBNSA-N 463.531 0.701 30 20 JCED CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1802680201 MEJYCPALQNPNBY-TZWXJUMCSA-N 460.535 0.888 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)ccc1F 1804190378 NATMPFUVYWVYLK-SBUREZEXSA-N 478.484 0.893 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1811536942 YENKSQMSBGWNDW-RDTXWAMCSA-N 458.442 0.041 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCc3nc(O)nc(O)c3C2)n[nH]1 1815921771 WVBAQFPNTKYPTQ-NHYWBVRUSA-N 454.443 0.496 30 20 JCED C=CCOCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828520957 LXVTUFVBAWOAFI-XMMPIXPASA-N 475.542 0.732 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829831707 PRPBSKFALJROCL-WVMBUTMQSA-N 491.541 0.686 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829896673 VUGWEXZZBIDGOC-CPJSRVTESA-N 492.617 0.701 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1831208951 BZXBLPODFAHRKB-NTKDMRAZSA-N 471.579 0.966 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1831223475 VJQGLNCKMRAKBF-RUZDIDTESA-N 463.490 0.599 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831396800 KEDUPMXZPXTWGZ-AXHZCLLHSA-N 479.574 0.738 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1831420511 VYESMLLZGIMBDL-YADARESESA-N 499.605 0.965 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1832000136 HWNGYKJPNPNOEJ-VUMVONDWSA-N 496.605 0.779 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1)c1ccccc1 1832329361 QZEYPNRYDHCQFW-NBGIEHNGSA-N 482.537 0.192 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCc4sccc4C3)CCO2)C1 1832586005 FKZDYZFSYFYKBK-WZONZLPQSA-N 461.584 0.601 30 20 JCED COc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833003786 VSTQLWYFYQMJMD-QHCPKHFHSA-N 453.499 0.993 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1833451991 OYIOZHXQUXWBDM-HAFIMRKLSA-N 481.619 0.598 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833463170 ANKAIAVHRCMWEV-IAGOWNOFSA-N 485.585 0.603 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nc1 1833647661 NXYQYCGRBNFWRN-HPTBBYBNSA-N 455.515 0.930 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C3)C2)c(O)n1 1833699011 RTUJNWVFWJQEBS-MZNJEOGPSA-N 474.558 0.843 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834326497 CKXAQMSTIDUTHC-LJQANCHMSA-N 462.620 0.766 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)CC1 1835399990 HBJHKKYPDHDJOZ-AREMUKBSSA-N 483.613 0.585 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1836214318 ZNOLMFNOOZFVDD-RAZUEPIFSA-N 497.589 0.404 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1836337826 WYAZQJMOZQIKGE-QGZVFWFLSA-N 487.626 0.501 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)nn1-c1ccccc1F 1836345135 ROPHNRIBUNEKPC-HSZRJFAPSA-N 486.456 0.178 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836394785 WGWZWFGVKSUSBK-DHNIJCFSSA-N 455.519 0.271 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836780170 CMEFWAOSIUOLLR-KOSHJBKYSA-N 471.558 0.855 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5c(c4)NC(=O)CO5)CCO3)C2)CCC1 1836995015 VZXROZHFILQBDQ-HSZRJFAPSA-N 454.483 0.781 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1 1837275162 JXJDTXKQHVCLPH-NRFANRHFSA-N 457.466 0.100 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSCc1[nH]cnc1C)CCO2 1837327683 ZCWPATFBMAGVCS-QATSOJGNSA-N 477.587 0.266 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493545 JXQGLHMIJUKABC-RUZDIDTESA-N 472.586 0.734 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837527378 LZZQOSXNWCGNDE-HOQWKFCYSA-N 469.926 0.522 30 20 JCED Cc1nnsc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528369 HZVFOUSAZQBTJK-QZAHWVOCSA-N 453.521 0.446 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1837531137 WXOISIFOQUNYAP-FPHRNUPISA-N 471.514 0.933 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2)C(F)(F)F 1837610588 VCEIBNNCBGEQPK-IFXJQAMLSA-N 471.436 0.170 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837699648 CQFRHONUYPXEBC-QRQCRPRQSA-N 460.918 0.972 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838118649 SZDCCLLYAOEJJW-CYFREDJKSA-N 469.542 0.910 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838582366 LMIOTRXXINNOOB-MWTRTKDXSA-N 473.530 0.344 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)cc(OC)c1)CCO2 1838932796 ZZSWVCITIHGQAR-VRWDYKOXSA-N 473.526 0.632 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)nc1 1838950645 WFLQKJSTRDSUKN-QHCPKHFHSA-N 484.534 0.741 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)c2ccccc21 1838951335 KWYFJDREQCDJLT-SANMLTNESA-N 489.532 0.982 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1)c1ccc(F)cc1 1839038328 CJXDPVHUEFSONK-XQAUZQBESA-N 453.536 0.778 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(C)C(=O)CC4)C3)C2)c(C#N)c1 1839131712 UTVMDSRKOGCAQL-XMMPIXPASA-N 483.525 0.174 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1839174406 ZTBIGWJRPWSLSZ-NRFANRHFSA-N 466.466 0.362 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC=C)NC(=O)OCc1ccccc1)CCO2 1839190904 KPBJEEDUBREKKG-YKSBVNFPSA-N 455.511 0.947 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839209074 MSRFODKMUAOAFW-PNCHPQGNSA-N 485.578 0.310 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)c1 1839420466 KPJWBOFRBMLONX-UGKGYDQZSA-N 473.530 0.794 30 20 JCED COC(=O)C12CCC(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)(CC1)CC2 1840042756 MZXSVSOHLUYQBX-XPPIMPSXSA-N 462.499 0.044 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nc1Br 1840043378 UUMOIHSWXDQENG-IBGZPJMESA-N 482.287 0.011 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044061 JPNGUKQJFVXTIX-RHGYRFJNSA-N 493.557 0.614 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840141507 JKUOPOPNYWGUMQ-GLDPYIMESA-N 476.574 0.480 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1840176597 NKHQRJSWWSEHER-SBUREZEXSA-N 497.593 0.361 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840770486 BLFYUETXMIWLBU-AVRWGWEMSA-N 481.505 0.224 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(I)c(O)c1)CCO2 1840784137 KHKBBQPTTAGYSZ-GOSISDBHSA-N 485.278 0.980 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1ccccc1=O 1840819696 AQNZJYOQUXCNNZ-DFBJGRDBSA-N 480.521 0.816 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820716 GUCQQELYCGTUFR-DVECYGJZSA-N 467.526 0.926 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840897204 QOXLOSDMNMXUFK-KRWDZBQOSA-N 463.528 0.515 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cc1 1840904435 GKNPEILNDFBZIH-HHHXNRCGSA-N 497.592 0.880 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840909124 VESCRYSFTPSYAX-NTKDMRAZSA-N 489.573 0.336 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3C)C2)C1 1840909529 VDQBQSQNIWPESM-NTKDMRAZSA-N 487.557 0.772 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1840916648 VVXPNKYKMZQFEE-VGOFRKELSA-N 455.552 0.683 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)C1 1843821440 SZRQUDOTLRISMS-BTFXCVNISA-N 476.574 0.666 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)CN3CCN(C(C)=O)CC3)C2)N(C(=O)OC(C)(C)C)C1 1843974467 CYIBUADQKJFQTI-FQEVSTJZSA-N 489.617 0.920 30 20 JCED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)c1ccc(O)cc1 1846415804 OZMOLFKRPAOOPM-MRXNPFEDSA-N 461.482 0.532 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 11054148 BXVCGVBHAUYTAM-ZDUSSCGKSA-N 459.908 0.966 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 16557853 KFAWHWINRQNURF-UHFFFAOYSA-N 473.463 0.874 30 20 JCED CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 492942145 AVAQDAKRTLEVEZ-GOSISDBHSA-N 468.601 0.985 30 20 JCED COc1ccc(CCn2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)cc1 501994798 QDMMFOXOCVIQII-UHFFFAOYSA-N 479.562 0.256 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccnn2C)c1=O 515685286 KLQHMJWHWNDXRD-UHFFFAOYSA-N 480.502 0.711 30 20 JCED COCCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 516047755 LKQFIXAAMHUURL-UHFFFAOYSA-N 473.511 0.450 30 20 JCED CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 516443455 ZUXFHELEPAESAG-UHFFFAOYSA-N 499.549 0.545 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CCc2ccccn2)CC1 523858123 FMOULYAVBJMGFL-UHFFFAOYSA-N 474.590 0.610 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)c1 604270174 RFZPVIGGOWRVIK-UHFFFAOYSA-N 454.552 0.568 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c1=O 610487115 DYIUKXBQSSCNQG-FUHWJXTLSA-N 470.595 0.988 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([C@@H]4C[C@@H]4C)o3)c(=O)n2CCOC)CC1 748043555 YCDDKMWSAVEARB-FUHWJXTLSA-N 470.595 0.940 30 20 JCED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1197332100 OKAFXDRSWKQIEY-UHFFFAOYSA-N 451.368 0.176 30 20 JCED CC[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1314567856 CGKQEISEPQXWGJ-OKRNOHDPSA-N 458.610 0.510 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)[C@H](C#N)C1 1465696532 JYEMFGBMMUCHRE-QGZVFWFLSA-N 457.535 0.877 30 20 JCED COCCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555414607 UJTVTVGGRWMWMP-RTBURBONSA-N 495.650 0.850 30 20 JCED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1562633568 KWUVYVGMSWLJJA-HNNXBMFYSA-N 457.578 0.781 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1nnc2n1CCNC2=O 1595979652 JOXYEAHWPBACSL-CQSZACIVSA-N 459.532 0.133 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1706622674 VGPKKGHCKQGMKS-SJORKVTESA-N 464.596 0.017 30 20 JCED CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1710876041 NCFGBCYOEJPBAO-MRXNPFEDSA-N 458.548 0.257 30 20 JCED CO[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1712101109 PCADEILBZFAVCP-ICSRJNTNSA-N 490.586 0.862 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCc1ccccc1 1723780059 PHDKXBFWENPEHV-PKOBYXMFSA-N 489.602 0.708 30 20 JCED CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1728194178 QJPSWGIOGCOXDJ-SFHVURJKSA-N 455.519 0.596 30 20 JCED C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1740802925 RKMGBTLTUPKXIJ-SFHVURJKSA-N 498.631 0.310 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCCO 1741132987 NWPHUNPEYTUKJL-SQNIBIBYSA-N 469.612 0.054 30 20 JCED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1748282764 QYEOPLOOTVINEE-GOSISDBHSA-N 466.546 0.773 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749269069 MJTRIRIDTXZVHY-HOTGVXAUSA-N 460.988 0.716 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 1767713146 PFJSQKYXGYBRCT-RTWAWAEBSA-N 494.600 0.711 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778052350 BVUHFDPGLXJLKG-KSFYIVLOSA-N 470.555 0.969 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C/N=C/c2ccco2)C3)CC1 1778754504 GWRJLKCKBNXMJY-ODMQBNIASA-N 494.614 0.884 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@@H]3F)CCO2)C1 1778920884 GNVCZIIHYWISIK-BMCPXHGSSA-N 498.552 0.980 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779062079 CIFPBXIUODCGEH-GKVSMKOHSA-N 484.553 0.521 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104739 GJFBAQGEQGANSQ-JWRHBCIMSA-N 498.577 0.887 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1780347527 LPCVMPLCRXOQMA-HYBUGGRVSA-N 462.510 0.939 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1781340457 JQSLSIFUPALNKO-KSFYIVLOSA-N 450.536 0.786 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)C(F)(F)F)C1 1782236023 AZXRWBLJHSJPTH-AUUYWEPGSA-N 463.453 0.688 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783268100 ABHTZXVZMBUONF-SEPYTNNBSA-N 461.515 0.505 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)ccc2C1 1783562845 JFGQDSVGDFCKKX-RUZDIDTESA-N 498.536 0.906 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(Br)c1[N+](=O)[O-])CCO2 1783563503 SJXUEIYYZKDWAE-GOSISDBHSA-N 466.244 0.889 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783687377 SQCKUPNGTXGUDN-QHCPKHFHSA-N 486.562 0.022 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784196008 WAVHTHMLDYXPCL-SPOLIRPYSA-N 469.579 0.833 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1785575735 CHAMNFOEBBBGOG-VGSWGCGISA-N 450.536 0.259 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1785596751 WWUQVXLELFBLRD-LQXPYONDSA-N 464.563 0.009 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)c1 1790224340 ARDBCHHDYCYJAD-YEWWUXTCSA-N 465.445 0.335 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1790326944 AQXUBAAWLPEZNS-BOFVXQRXSA-N 495.565 0.830 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791076961 SNSKLSAOXXOYBI-ATIWLJMLSA-N 481.521 0.649 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791286722 HSOPIUGXEDGVRJ-BRHFBXIFSA-N 495.573 0.499 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NCCC 1793257418 LFCZGQCUNYVLMI-BMQTXXJKSA-N 478.590 0.799 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccn(Cc2ccc(F)cc2)c1=O 1794405694 AXGYIUXOPOSNQV-NYCLONFESA-N 460.531 0.952 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)c(C(F)(F)F)n1 1795439215 IZAIIAQSLUQSQZ-ZSBFGKGUSA-N 467.448 0.507 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O)NC(=O)OC(C)(C)C 1795533638 MBFSAUMCQKQLML-QOSLBHJFSA-N 481.594 0.028 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cn4ncccc4n3)c2c1 1797043013 NXWNPUOTMWQWEF-YVWYUNDQSA-N 456.466 0.994 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 1797115244 BAZJWIIEGMMPMS-OMZCGLGVSA-N 479.574 0.640 30 20 JCED C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1800751351 PJBORAVIYSEEGD-WCXIOVBPSA-N 450.536 0.498 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2)NC(=O)OC(C)(C)C 1801931111 GFUPASJRBZPKSD-QOSLBHJFSA-N 481.594 0.028 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(N)=O)C2)NC(=O)OC(C)(C)C 1801932067 MSCXPNCSFACWSE-BASYENTBSA-N 453.540 0.104 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccccc1 1801950186 HPSRFMAGXXRNAD-CEQLMSFQSA-N 455.559 0.678 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Cn1cncn1)C2 1802139750 NJMSFTRLQROJFM-CVCXRRAZSA-N 488.589 0.973 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1802140923 XMAYMDPTWPVYPI-AGYLXNLDSA-N 487.557 0.914 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1802392483 KTUNZTLLPDBDMG-OZXSUGGESA-N 479.581 0.878 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)CNC(=N)N)[C@H]1c1cccnc1 1807063450 RDYBDCODYDWWHW-JENIJYKNSA-N 471.562 0.487 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807153084 WGOFALOTMODONT-KSEOMHKRSA-N 494.600 0.840 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)c1 1811406804 FQANMKQJZNLKON-AGHHOFFYSA-N 464.526 0.874 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1828927388 SGRFUKOIDVQONT-VWLOTQADSA-N 493.520 0.667 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828967295 JKGODPJPNXTMQH-HFZDXXHNSA-N 495.580 0.445 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1cccn1 1829393741 UYXOAMPCDSAUNN-DFBJGRDBSA-N 493.520 0.984 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1829461387 WHGACSMBVKENID-NBGIEHNGSA-N 484.553 0.915 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632050 OIFNLKFJFQXNNE-AUSIDOKSSA-N 457.531 0.394 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)[C@H](O)C1 1829691445 LNEGKSLOIHVNCA-HOOSLVGPSA-N 492.573 0.364 30 20 JCED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)CC1 1829695034 XHPQRILUIKAKNZ-SFHVURJKSA-N 467.482 1.000 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)cc1 1829898400 CFGXCIQRCOVRKZ-VWLOTQADSA-N 477.521 0.382 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)C1 1830428645 IDMTZODERHMIDC-MWTRTKDXSA-N 477.583 0.542 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1831427605 UJGREMBJCRENSN-KUHUBIRLSA-N 471.352 0.844 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1831486751 GSYRJUSIJDZVAU-LAUBAEHRSA-N 451.545 0.877 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831613688 BOHVOPQZNCCFAK-JSMQRPJFSA-N 494.589 0.424 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1832000552 TXLCRKGXCMFKIW-KSFYIVLOSA-N 478.550 0.653 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832534988 OXXLLYSPSIQJDH-FQRUVTKNSA-N 499.564 0.702 30 20 JCED O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccc[nH]1 1832878460 FGBSMFXGGABSSQ-VWLOTQADSA-N 486.569 0.290 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C(=O)O)ncn4)CCO3)C2)c1 1833497231 GCTAKECPFYXXDP-JOCHJYFZSA-N 469.429 0.569 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1835794936 BIAXCLSCQVIUFF-ZWKOTPCHSA-N 470.574 0.205 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(Br)c(CC)nn3C)CCO2)C1 1836281645 JFSZIRARJVOCIM-QVKFZJNVSA-N 497.390 0.853 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836449682 HHLFHVFBIJXUSP-JEHGDBSQSA-N 452.471 0.740 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1837531026 WHBVFDXIORTDJI-IFXSCVBMSA-N 463.487 0.697 30 20 JCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1)C(F)(F)F 1837550291 WZZXNWUQCKXRPZ-SFHVURJKSA-N 460.409 0.288 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1838322584 BSUUGXCTLHIKTP-XMMPIXPASA-N 478.509 0.150 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4nnc(C)o4)C3)C2)c1 1838581827 RQMPYLGQGWSVRJ-QFIPXVFZSA-N 455.471 0.571 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838604057 HJQDXHQQJKSVED-VGSWGCGISA-N 491.570 0.703 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(C(=O)OCC)c3)CCO2)C1 1838718692 DGJVPULTBMKDDP-GAJHUEQPSA-N 461.515 0.919 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(C(=O)OCC)c3)CCO2)C1 1838720604 VWOFOFZIDRFPQR-YADARESESA-N 475.542 0.901 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1cccc(Br)c1)CCO2 1839055528 OQCHMPLORMCLIF-AZUAARDMSA-N 481.299 0.027 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F)CCO2 1839219347 DSDNMFYSKQOFBD-IERDGZPVSA-N 471.501 0.968 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)c1 1839420546 PAXLSCGPPWOMAT-QHCPKHFHSA-N 470.457 0.790 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5csnn5)C4)C3)c2c1 1839487436 IIKIKQRLWUJUCW-FQEVSTJZSA-N 453.484 0.670 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4cccnc4nc2O)CCO3)c1 1839513969 NUVREWYKSKNKMY-HSZRJFAPSA-N 462.466 0.919 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839683362 ZZEZPIOCUYFESZ-IIBYNOLFSA-N 454.524 0.286 30 20 JCED COc1ccc(Cn2cc(CC(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cn2)cc1 1840041036 LRXNMQBNANKKID-VWLOTQADSA-N 496.520 0.027 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1840159140 XERVIFNVUQDMOC-QYWGDWMGSA-N 467.613 0.871 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)ccc1F 1840232496 YWWYNUJURORPEF-HXOBKFHXSA-N 458.490 0.222 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@]4(CN(C(=O)COc5ccccc5C#N)CCO4)C3)CC2)CC1 1840820446 PPAZQBRFRRJSMZ-VWLOTQADSA-N 497.596 0.173 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2)C1 1840841035 ZITKAQJYHDJEPL-DEOSSOPVSA-N 497.589 0.414 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)CCO2)C1 1840856598 UWMBDEMJDNZRIB-YBGOQADZSA-N 489.544 0.368 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cc1 1840904436 GKNPEILNDFBZIH-MHZLTWQESA-N 497.592 0.880 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1840906769 JYLWXZDKWVPQIL-DVECYGJZSA-N 494.589 0.228 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1841608334 NWCBTGMFWIFVKZ-DLBZAZTESA-N 480.610 0.937 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841847963 AOHOAEBSBIQCJH-INIZCTEOSA-N 475.546 0.438 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1845199118 GAFRLCZJFWMGGV-OAHLLOKOSA-N 463.535 0.601 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@H]2C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197083 RQBXHRIPVNEGHA-INIZCTEOSA-N 488.541 0.041 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847749038 BMNFNFBLTBUXQO-SQNIBIBYSA-N 461.563 0.943 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)nc2N2CCN(C(C)=O)CC2)cc1 116528376 OSAUIEAYIMVTJE-UHFFFAOYSA-N 471.539 0.923 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NC[C@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)cc1F 502043945 BHRIGLRRDQFMTF-QGZVFWFLSA-N 467.526 0.878 30 20 JCED N#Cc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 505712332 AHMZTWQRKCLUFR-UHFFFAOYSA-N 453.524 0.641 30 20 JCED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccc2O1 516440909 OQWIZBBRINCYDW-IBGZPJMESA-N 498.517 0.358 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)C1=O 519090370 IQZDYOBZFLRYRA-UHFFFAOYSA-N 481.431 0.765 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncccc4C(N)=O)CC3)CC2)cc1 523722922 UYECTBQALZOBQQ-UHFFFAOYSA-N 482.566 0.802 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2C)c1=O 523733201 CFQYZNOPSVIFOG-UHFFFAOYSA-N 488.585 0.345 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cc(OC)ccc1OC 608827315 MEFKRBCHTWBBRQ-HNNXBMFYSA-N 480.546 0.965 30 20 JCED CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 608828861 ODTLMQQLVJRCRW-UHFFFAOYSA-N 487.541 0.738 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCc3ccc4c(c3)OCCO4)c2=O)cn1 726785728 UYVHYXCZCSYFMH-UHFFFAOYSA-N 491.573 0.783 30 20 JCED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CC2CCN(S(C)(=O)=O)CC2)C1=O 726890325 VOTFBBZTNYVMLA-OAHLLOKOSA-N 469.589 0.829 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c1=O 729673617 XVJSEBNJYIWHHM-UHFFFAOYSA-N 463.581 0.238 30 20 JCED CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 744919716 IBOSLEHEZTUIAQ-IQVWLQHGSA-N 451.549 0.857 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)c1 750566527 KSHGCRUEONAEEH-UHFFFAOYSA-N 477.564 0.630 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)Nc1ccccc1S(C)(=O)=O 853666342 MILLVIRVEMFJCD-ZDUSSCGKSA-N 465.509 0.810 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2CCOC)CC1 916199221 CXXJLNGFXXVTDY-UHFFFAOYSA-N 486.594 0.241 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918816951 CTFLXGKJOGKSGI-UHFFFAOYSA-N 490.513 0.672 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 1286890818 REZSGPMWICHTAN-NRFANRHFSA-N 485.614 0.994 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c(OC)c1 1300077473 SDRRPBJYCYWLEY-RDJZCZTQSA-N 476.559 0.973 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1302490301 ZMXKFCJHFPIQKR-UHFFFAOYSA-N 487.586 0.441 30 20 JCED CN(CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1314851724 ZNKYPKHCPUHRSL-WOJBJXKFSA-N 489.602 0.866 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1315068724 XXZGJNFHPUJAQN-GOSISDBHSA-N 459.576 0.524 30 20 JCED Cc1c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cnn1C 1510511802 ZXAWTUREEOKJBK-QAPCUYQASA-N 452.516 0.143 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCO[C@H](C)C1 1541116367 NXANXWYZQNDOBA-GUDVDZBRSA-N 483.639 0.708 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 1545448895 UXSPXJPBGCUSFN-UHFFFAOYSA-N 453.464 0.903 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1620169004 ZYNOHVAMRIQJMQ-UHFFFAOYSA-N 460.560 0.830 30 20 JCED N#Cc1ccncc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 1641699227 VMURCIYNMZGVSJ-UHFFFAOYSA-N 454.512 0.036 30 20 JCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1666858268 VZQMJNRCBUDHCF-ZIAGYGMSSA-N 453.464 0.353 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1706870777 IGEJBSIAUXRGQI-YCRPNKLZSA-N 493.565 0.846 30 20 JCED Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1726403300 ORUUFEZLVRPLMK-IBGZPJMESA-N 450.952 0.988 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768267711 IBUHUFIURWDBIE-DLBZAZTESA-N 464.596 0.077 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1777963292 FEEYCLYYJOYVAT-DJNKZKGESA-N 494.589 0.244 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778088788 WUGYGYYEQNTOFR-DENIHFKCSA-N 471.620 0.909 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1779875734 QJYQGPBRQCUXNP-YEFOHOTDSA-N 455.496 0.520 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1780735496 WKSLGOIAKGOPRV-CSODHUTKSA-N 458.577 0.690 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)ccc1Br 1781906085 JPPXXYHMECOYLL-OAQYLSRUSA-N 487.310 0.689 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCNC(C)=O)C2 1783270352 ZXFBTHRROBMDCC-XLNZFTOWSA-N 478.590 0.943 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1)C(C)(C)S 1783781377 GZWCDHQKCWFPPG-VKIFBMEASA-N 484.619 0.554 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CCO2 1783889117 QFPOTKMSOIOZCU-FPRMZBFLSA-N 477.649 0.797 30 20 JCED CC(=O)Nc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)n1 1785532855 GPOFVKQZYRAEKO-LNLFQRSKSA-N 456.547 0.915 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(=O)NCC)CCO2)C1 1785577356 NRYISABYIWZRPU-QQMNAOGKSA-N 479.578 0.441 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1785592756 HZAUFHUGWHZHLB-IEGYKGNPSA-N 499.630 0.966 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785607752 WCODETBLCNVDKN-WDUKFBBWSA-N 472.608 0.539 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1785609205 SUUAGLPPPIGSSC-UUOWRZLLSA-N 485.541 0.770 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C(=O)C1 1785667254 PHLCZURLZSIQFU-XMMPIXPASA-N 474.558 0.309 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786860385 ZKHGVHAOFDVQHX-ULQDDVLXSA-N 451.568 0.773 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789927840 BCFKXUIRYANZBA-SPOLIRPYSA-N 469.579 0.833 30 20 JCED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCOCCOC)C[C@@H]21 1791442223 SQAXGRDQFPUCOG-FKBYEOEOSA-N 468.591 0.856 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792239997 RHJYBSKJBQIGQY-QPSCCSFWSA-N 456.590 0.627 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1792256979 OBPRRCFQMBEXEI-MPTYRVRUSA-N 490.517 0.828 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c(Br)c1 1793022290 MOUPBFDSFUOZHY-VTEUUUEMSA-N 465.300 0.678 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)C1 1793082867 YFCHKCGEYNKAGP-YVSFHVDLSA-N 450.536 0.762 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(cnn3C)c1OCC)C2 1793342913 YRHUBOWNUJLGIA-OAFZBRQQSA-N 455.515 0.609 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1793361180 JVYAXOXLNYTKAB-YFYQMDMQSA-N 474.558 0.803 30 20 JCED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCNC3=O)c1 1794972656 JQNAWFOUPGKMQG-HBCWATKFSA-N 452.446 0.154 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)cco1 1795003281 RNZKNXUVXDIBDE-HIRMHNASSA-N 459.499 0.760 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795084425 SQPDGWQMPXFCIM-DFGXFYAUSA-N 479.534 0.295 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795274518 IUOWUWBMZKFRBD-IIZPIQPGSA-N 471.554 0.903 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N 1795503839 UOBGGDZOLRFVMK-HLPPOEQASA-N 455.581 0.672 30 20 JCED COc1nccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c1F 1795911096 OZHKTSJWCMRBRI-MSLHZGMLSA-N 450.467 0.962 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1797783805 MOHJSRXXGLXMHW-CWPLJXCYSA-N 455.490 0.770 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1797790406 VPZUFYGTONZJEJ-WQDJSCAQSA-N 477.901 0.910 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2)c1ccccc1 1797876768 BVDVLJAOPGVCPV-PFDCGNQRSA-N 455.555 0.924 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2 1799334735 UWDIJTYIVWZQAJ-IYWMVGAKSA-N 472.542 0.535 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](F)CN1C(=O)OCc1ccccc1 1799387254 YJGLEFQDQFBKME-PQTWGXLHSA-N 487.484 0.413 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1C 1800278619 ZVXIWXUVRXZPOA-AJYBTWMASA-N 459.547 0.698 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1800945046 PPRFBZRQEVJYOK-DMUMMCEESA-N 499.630 0.708 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)c(O)nc1=O)c1ccc(O)cc1 1801971920 HXPAFGMNCYOJOW-MTXNFPGFSA-N 494.548 0.750 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1807945227 CEMFVNQAPSRNBE-RDTXWAMCSA-N 458.442 0.041 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)[C@H]1c1cccnc1 1808393834 SBPOFSMQUSGJMF-RTKZEXODSA-N 457.556 0.928 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1811718372 OYTJWZLTDHGJFU-IIBYNOLFSA-N 464.457 0.964 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@H]2CCc3nc(NC(=O)CS(=O)(=O)N4CCCC4)sc3C2)c1 1817272610 HIQVFOZKAVHUGD-ZDUSSCGKSA-N 462.557 0.994 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)[nH]n1 1822201173 XIOJBYIWHDRWCL-INIZCTEOSA-N 492.496 0.683 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC([C@H]3CCCCN3C(=O)C#CC3CC3)CC2)n(C)c1=O 1824408544 AGHPLDGMYBTXEP-LJQANCHMSA-N 480.569 0.467 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCN2C(=O)OCc1ccccc1 1828496104 LZDQTDDLPIMXPO-DHLKQENFSA-N 495.488 0.853 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCN2C(=O)OCc1ccccc1 1828496110 LZDQTDDLPIMXPO-RDGATRHJSA-N 495.488 0.853 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)NCCC#N)CC1 1828758157 FGNSWAXTGOHAGD-ZWKOTPCHSA-N 451.568 0.952 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(=O)N(C)C)C2)C1 1829461083 JYAUUYPWRAUVFT-DEOSSOPVSA-N 454.527 0.940 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)CCO2 1829846346 RXHBZHGRIGGTPF-DNQXCXABSA-N 490.557 0.622 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34C[C@H]3CCN4C(=O)OC(C)(C)C)C2)C1 1831402328 VCWUTCSYBBBIJA-PIYXRGFCSA-N 491.585 0.881 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1831428036 XRLXFINEPBFEQF-MHECFPHRSA-N 472.542 0.388 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832791337 HVGRWFOIBFTMET-KKSFZXQISA-N 451.524 0.993 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)CN4CCS(=O)(=O)CC4)CC3)CC2)c1 1833714382 WROXGRBHXAAXPW-UHFFFAOYSA-N 487.626 0.474 30 20 JCED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n[nH]1 1833827058 BHZMSWZDZPVTFG-QHCPKHFHSA-N 467.482 0.633 30 20 JCED CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)o1 1833896655 XDBQZTMBPNNFRI-QHCPKHFHSA-N 453.499 0.925 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834716181 KMNOEKUAYMHZNH-QGZVFWFLSA-N 463.627 0.547 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835145682 HKMHPPVHBAZKAF-RDPSFJRHSA-N 494.610 0.880 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)ccc12 1835354507 MCYNIJGPGVJACM-HSZRJFAPSA-N 469.498 0.885 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)C1 1835355189 WLCICCJRZISBIJ-QFIPXVFZSA-N 476.917 0.826 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1835680941 PMJLGBJMGZLCHK-HSZRJFAPSA-N 454.531 0.915 30 20 JCED CCOc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cnc2c1cnn2C 1836377903 MGBVQLNMISRVTB-XMMPIXPASA-N 467.526 0.850 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4CN(Cc5ccccc5)CCO4)CCO3)C2)CC1 1836685909 WRLNZIKIHNHVMZ-PXDATVDWSA-N 468.554 0.648 30 20 JCED O=C1NCc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)ccc21 1837150349 OTWWYTKNTUIKHQ-DXPRYJPLSA-N 469.542 0.472 30 20 JCED COc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1F 1837442569 ZTQLHLPCTIHSJT-WGBQGACBSA-N 463.510 0.771 30 20 JCED N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1ccccn1 1837527505 NWGMROGUJJUBIH-NADYJBGLSA-N 461.519 0.067 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1837528192 AUTSZAHGGOOEOM-KDGIGMFRSA-N 450.467 0.820 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1837529103 PRJGRPGXDSCNKC-KTGCVPNGSA-N 475.546 0.818 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1837531476 NOHLOWVXTXXMNN-RXPUKQNLSA-N 467.910 0.729 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837531610 QVBYXZVETUIOPT-XQHLYRQSSA-N 475.546 0.747 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(=O)Nc2cccnc2)CCO3)cc1 1837626630 IKSMKDDOEJJISR-XMMPIXPASA-N 463.494 0.591 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)cn2[nH]cnc(=O)c12 1838471173 ISNSSIPIQBADOE-XMMPIXPASA-N 494.483 0.726 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc(C(F)(F)F)n1 1838523032 YUZDILJMOZVCND-LJQANCHMSA-N 471.388 0.267 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(C(=O)OCC)c3)CCO2)C1 1838718693 DGJVPULTBMKDDP-HXOBKFHXSA-N 461.515 0.919 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CS(=O)(=O)N4CCCC4)C3)C2)cc1 1838950826 HPVPBXTUONTTHI-JOCHJYFZSA-N 476.555 0.054 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1839103697 VHJPJSOXEXDBSS-CYFREDJKSA-N 455.559 0.264 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3nccs3)C2)C1 1839173879 RJFLFGXRCZBNTR-KKSFZXQISA-N 466.560 0.909 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)o1 1839186459 VHJRVSDEOGFQFS-JOCHJYFZSA-N 457.462 0.630 30 20 JCED NC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)CCO2 1839346216 ZQYKFTVBTIUHIU-SANMLTNESA-N 476.533 0.825 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)COc5cccnc5)C4)C3)c2c1 1839487497 LLJZFXKBWUFBQV-XMMPIXPASA-N 476.493 0.979 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H]5CCCOC5)C4)C3)c2c1 1839489512 ZTJIUPLEOQYYGR-HXOBKFHXSA-N 453.499 0.931 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839633660 OAQHAJQHRBLSRJ-JLGINSKQSA-N 454.527 0.247 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1840026737 UJAYPIQIPWBFMS-IXFSTUDKSA-N 467.563 0.520 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1840081809 JIUCXHWKSWVQSX-RUZDIDTESA-N 498.617 0.907 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1840108121 JWFATXSZIBWJBG-QZTZHPFYSA-N 494.589 0.603 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)n1cnnn1 1840474576 XBXDASRQMVUTNK-KKSFZXQISA-N 458.906 0.396 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840772362 PADNKPUGFWQZHS-BFUOFWGJSA-N 460.549 0.618 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(I)c(O)c1)CCO2 1840784412 RDRJTFFDVVHVBY-SFHVURJKSA-N 470.263 0.700 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819767 DMTHPZZRJKQAKW-MHECFPHRSA-N 480.525 0.684 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[S@@](=O)CC)C2)C1 1840908682 GHTBOLHZFPVDPG-KUSNTZITSA-N 499.630 0.518 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(=O)N(C)C)C1 1842838085 MZMFJKSBEMGIDJ-HNNXBMFYSA-N 481.550 0.084 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](COC)NC(C)=O)C2 1847069622 PVGTYYWWMFYBEQ-SJORKVTESA-N 450.536 0.258 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848128329 CZKABHWZEMSCCM-UGUYLWEFSA-N 463.535 0.646 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 515415424 PPNZFCKALZUFSO-UHFFFAOYSA-N 499.549 0.928 30 20 JCED COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)cc1C 604499086 CPOSBPKPDNHXCV-UHFFFAOYSA-N 499.589 0.895 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1CC(N)=O 608911092 IZLPQEOXESVFMP-UHFFFAOYSA-N 480.571 0.485 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)Nc1ccc(-n2cncn2)cc1 726377085 RKKMGXUQPAYGOL-UHFFFAOYSA-N 453.484 0.451 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(OC)ccc1OC 726577369 KXVRXONYIZEVAZ-AWEZNQCLSA-N 483.550 0.304 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN(C)S(=O)(=O)c2cccnc2)c1 745339998 XNYLCFPBCXAESX-UHFFFAOYSA-N 456.524 0.575 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 746543340 SHHKPBPWPYZZRO-UHFFFAOYSA-N 458.496 0.997 30 20 JCED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 916893340 ZJPHZGZONZCOBF-INIZCTEOSA-N 453.517 0.576 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)c(OC)c(OC)c2)c1=O 917355134 SBZMLYZFOOQECD-UHFFFAOYSA-N 493.969 0.589 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccco2)cc1 918254669 LIUKYFGCCHBZMO-CDTGLVORSA-N 462.528 0.998 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NCC(=O)NC(C)(C)C 919013232 CCXLPAXXTHYGOV-HSZRJFAPSA-N 456.499 0.726 30 20 JCED CCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cn1 1295928131 PFJVMTFJFYCJIS-QAPCUYQASA-N 452.516 0.318 30 20 JCED CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1302448905 JHIMNZCMRDUFJA-SJLPKXTDSA-N 479.584 0.787 30 20 JCED C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1444420658 YRPLALGNQUCYGZ-ZWKOTPCHSA-N 456.572 0.947 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CN2CCCC2=O)n1CCC(C)(C)O 1494138393 YJATWHKGSZPXCQ-INIZCTEOSA-N 453.551 0.938 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539804138 ROWPVDPGEUSELP-KBPBESRZSA-N 452.002 0.698 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CCO1 1696962492 JOUZVJAYSXTZSJ-SFHVURJKSA-N 458.544 0.593 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCO1 1706049728 VATLFIAZFGHKIA-DYESRHJHSA-N 453.547 0.879 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccc(F)c2F)C1 1731015644 STMZMAAFRIHLNW-WBVHZDCISA-N 482.513 0.861 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)cnc2c1 1777998070 BUZKRYWGJKXUPW-MUZGUSJISA-N 483.525 0.975 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1)c1cccs1 1778380411 SXSMMTMDDJQPPJ-NVIZVJJSSA-N 483.550 0.961 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1779286834 AUCGZZNSHYZOIV-DGGJZMOXSA-N 462.547 0.424 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)ccc1F 1780754229 KEHCMBLJOLQWKZ-YZZKKUAISA-N 471.489 0.352 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1780932159 BZLCLSAOZOAAST-VGOFRKELSA-N 481.427 0.069 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)CC1 1781170054 MGLJFIQVSAWQJQ-QHCPKHFHSA-N 487.561 0.649 30 20 JCED C[C@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170233 XWHSXCMIPJJTAH-GAJHUEQPSA-N 477.562 0.492 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1781187314 GEPIZYPYXBOABK-GXZWQRSESA-N 473.592 0.981 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1782107767 BESFXHBMKHAYMS-UTBIRPSLSA-N 495.621 0.563 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089193 QLEGEABMIUJADG-GAJHUEQPSA-N 478.546 0.834 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1785429433 HIGXUCCEIDKXRP-JTSKRJEESA-N 451.520 0.686 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CCO2 1785429940 NHYMBSFKIMGRTF-QHCPKHFHSA-N 475.567 0.564 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccnc4C(N)=O)[C@H]3C2)c(C#N)c1 1785519391 XSBRRYQBFYDQTK-NDXORKPFSA-N 477.521 0.897 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC[S@](=O)CC)CCO2)C1 1785576494 DPJOUJMEOXKJFO-ZGVBGQFESA-N 469.604 0.892 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1785576963 JPGUCYIHHRNRSS-MWTRTKDXSA-N 473.530 0.845 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1785616673 NATFQVXDWYTGEF-ZDPRRSKRSA-N 461.515 0.692 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)[C@@H](O)C1 1786363995 ROWTZQLDLAGYDS-ADHGMGHFSA-N 450.536 0.498 30 20 JCED N[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cccnc1 1786929148 BCMPHLBNAOMJCL-LKCVFRFISA-N 459.547 0.980 30 20 JCED C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1788627451 COOZTTBGNZQSMO-WZNDWBOKSA-N 460.535 0.786 30 20 JCED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)[C@H]2C1 1789134825 JROJCGRVTWWGDN-BXWFABGCSA-N 498.565 0.561 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cc2cccnn2n1 1789143156 AXAGSDFHFOMOGL-VXKJNVKJSA-N 456.503 0.852 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1792792848 NQEYLGFQGRHVBY-XAUFPCHMSA-N 469.604 0.651 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1792838170 QHNIRZFFSLNVQH-WQDJSCAQSA-N 450.944 0.858 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)[C@H](C)CC 1793402379 JGDYEABAXVPFMP-RCFCFVIZSA-N 451.564 0.900 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1noc(C)n1 1794060583 BTLYYKQKZVUVQQ-YYAJDYIMSA-N 461.519 0.427 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNCP(=O)(O)O)cc1C#N 1795522419 OEZUHJFVJAQVAT-XEMDLRDOSA-N 480.458 0.273 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(C)[nH]n1 1797858746 IKVOIBSDSQFXKB-WQDJSCAQSA-N 459.547 0.767 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2)c1ccccc1 1797874495 ZFWVIQFETSQJQR-VQQMMKBISA-N 452.511 0.325 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)Oc1ccc(C)cn1 1799091457 FGBPHHNJLJQOLP-HWYQXWNASA-N 456.543 0.995 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1799232428 IINSHLNLXJSPDW-AXVVYFOYSA-N 461.515 0.361 30 20 JCED CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1800535082 JULPYMSUVPPYHW-USACIQFYSA-N 486.635 0.702 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800799812 JHKTULCETNHGGQ-OGJJZOIMSA-N 483.562 0.624 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O1)C2 1800989302 IUUPGSNUOGHDCY-VZRUXMCCSA-N 469.604 0.919 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@H]1c1cccnc1 1802498625 OQTKYSZSHFJBFH-RVBASHTNSA-N 467.448 0.624 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)c1 1804198948 RXVLQJMPGJBIED-NQIIRXRSSA-N 470.555 0.331 30 20 JCED C=CCC(=O)N1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1812443353 JZJNAPCJWKFNTO-UGNRZPKXSA-N 471.583 0.844 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1824266536 SDECBPHQRZYJJJ-QZTJIDSGSA-N 465.547 0.970 30 20 JCED N#CC1(C(=O)N[C@H]2CCc3nc(NC(=O)[C@H]4CSCN4C(=O)[C@@H]4CCC(=O)N4)sc3C2)CC1 1824807725 BDHXXSSUGMFABT-FPMFFAJLSA-N 488.595 0.539 30 20 JCED COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)c(C#N)c1 1825327740 PDLDTCYVPWJPKD-QGZVFWFLSA-N 487.582 0.465 30 20 JCED CC(C)(C)NCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332650 TXRSNZYBURPFKP-RUZDIDTESA-N 484.553 0.915 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(OC)c3)C2)C1 1829769069 MGQDCVGEIWIXPO-XLQQFJOYSA-N 457.527 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1829770147 FCKKGGCANSCBRU-UKDBKGKESA-N 496.564 0.347 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829903930 FLFSNSKHQVUECY-DEOSSOPVSA-N 450.495 0.570 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC[C@@H](C(=O)OCC)C3)CCO2)C1 1830699953 ZCSAPVIAEMECAC-ZBNTXBBCSA-N 464.559 0.851 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1830880245 ISQUTBRAJZULJV-CYFREDJKSA-N 477.558 0.492 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c(O)cc3O)C2)C1 1831398371 AGXMVFFNEGWWKP-LHSJRXKWSA-N 452.891 0.860 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)n(C(C)C)n1)CCO2 1833605097 WZWNEFMWJBQYGY-UZQCKINESA-N 489.529 0.091 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833621343 BIZIVRVXNRYMFO-XMMPIXPASA-N 483.525 0.847 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)NC(=O)OCC)C3)C2)c(O)n1 1833699987 KDYICSVUMMKXET-XXBNENTESA-N 492.529 0.040 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)c1 1834563925 LIIYCLPSSSQIHF-DEOSSOPVSA-N 478.509 0.190 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)nc1Br 1834763650 QEODFJIKZTVFLX-SFHVURJKSA-N 453.293 0.836 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)NC(=O)OC(C)(C)C 1835364558 ZEQRNQHJKZIWTG-OPAMFIHVSA-N 482.534 0.203 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nc(Br)nn4c3)CCO2)C1 1836255733 QPEPUVNABFPRJG-KPZWWZAWSA-N 484.376 0.880 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1837529384 SFTFNWIANQEMIS-XQHLYRQSSA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1837531213 ZRJRLIAKLVFBCI-ALUBYUQESA-N 471.514 0.933 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)no1 1837545685 NWMYECMRHVRKJF-VWLOTQADSA-N 495.536 0.674 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869465 SKZLUZLTFPPPKF-SFHVURJKSA-N 467.567 0.331 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048550 GTVISIYDONVBIT-NTQNSXHESA-N 486.529 0.257 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1839175083 OPRHTYYTSHNSMX-QFIPXVFZSA-N 457.487 0.537 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1 1839190895 JLAREEFPZBOZAP-BWKNWUBXSA-N 488.585 0.876 30 20 JCED NC[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CCO2)C1 1839345539 OTFBJYHZEDTVAD-JYFHCDHNSA-N 462.550 0.442 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630058 DXTZNCYBDPFVSU-IFXSCVBMSA-N 472.502 0.557 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)CC1 1839759431 RHITWFBCVGVVLG-QHCPKHFHSA-N 455.511 0.900 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1)c1ccc(O)cc1 1840220594 VHUAKDZKLLYNKU-DHTSOJEISA-N 471.554 0.870 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251592 NLWVIBCTSKQNFH-YADARESESA-N 494.589 0.535 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1)NC(=O)OC(C)(C)C 1840795815 DMNMKRFUMLAGPN-UZUQRXQVSA-N 492.577 0.745 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840857227 NFOJOEGDVLTGFU-RDPSFJRHSA-N 472.517 0.633 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1840913708 LQQDDBLBWSNXHY-ZPGKAZOCSA-N 453.536 0.293 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1842911561 XATNVZCCHNSUMF-MRXNPFEDSA-N 450.584 0.714 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C2)C1 1845998539 BRLBQVKPWURBLF-JKSUJKDBSA-N 493.561 0.131 30 20 JCED CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 105053192 WHSOVLDIHSFQCF-KRWDZBQOSA-N 474.630 0.452 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CCN(C)CC1 517990174 IFHWZRIITFOKMU-UHFFFAOYSA-N 495.584 0.924 30 20 JCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 594346581 DDOVUGKHPDQSOQ-UHFFFAOYSA-N 469.542 0.636 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828865 OIQDAGFCJJLWLE-UHFFFAOYSA-N 482.587 0.471 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CC1 729256821 JCSQGJHCRPZGJE-UHFFFAOYSA-N 456.952 0.419 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 769215985 DGLOZSVVBQXMOQ-NSHDSACASA-N 498.439 0.940 30 20 JCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCNc1ccc(C#N)cn1 914859602 VDZCSIWYXNMJSD-KRWDZBQOSA-N 465.557 0.263 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 919051010 MQTLWYKLPQJSOP-GJZGRUSLSA-N 452.533 0.607 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)NC2CC2)C1 1303940065 RRRBLDFEFDXRJX-LAUBAEHRSA-N 479.607 0.800 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1509958124 YLJXIZQFASGLMK-CABCVRRESA-N 455.585 0.512 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)CCO1 1517539146 NKXWMGQQJJTAOG-LJQANCHMSA-N 450.503 0.659 30 20 JCED COCCN1C[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1519193943 VSWLJUMRIOAJOL-QVKFZJNVSA-N 456.482 0.862 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CCO1 1541074554 MGSUAVGAFTZJMT-HXUWFJFHSA-N 472.571 0.983 30 20 JCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1616923361 CVZWAETYXAXQGD-SFHVURJKSA-N 459.576 0.970 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1618839996 JYTGTSGFTYOGJL-LJQANCHMSA-N 459.576 0.667 30 20 JCED CNS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1618845817 QHXUAQDDIANISA-GOSISDBHSA-N 459.576 0.603 30 20 JCED N#Cc1cc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1C(F)(F)F 1661782124 RWEYQTXLIQCHJL-HUUCEWRRSA-N 453.464 0.353 30 20 JCED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1771083995 KQXQEQLUUKPYDR-SFHVURJKSA-N 455.519 0.948 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1)c1ccc(O)cc1 1778263865 MZTHSPUWXWOBGX-BKMJKUGQSA-N 468.598 0.967 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1778792453 OTCBYKZONGESJC-XXBNENTESA-N 474.514 0.853 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066828 HZMJIOKETVLUCH-DFBJGRDBSA-N 468.554 0.728 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1779069443 RRMZIMHVASKTJT-ZJSXRUAMSA-N 471.510 0.816 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1)c1ccccc1 1779185922 YENCGDHZQYLXLV-WIOPSUGQSA-N 487.622 0.744 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781200872 XYNVAIWVMFPNCE-VGSWGCGISA-N 455.552 0.949 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)ccc1Br 1781906007 FXTYABZEAVXTMB-FOIQADDNSA-N 461.316 0.900 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1781960013 CQJRSKZOGHMJGR-QHCPKHFHSA-N 451.458 0.966 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5nccnc5C(N)=O)CCO4)C3)c2c1 1782196653 AQHDBJPYSKKOFL-JOCHJYFZSA-N 460.454 0.081 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)c2n1 1782885295 GMLWYHMCHWILAA-HSZRJFAPSA-N 496.528 0.260 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(I)c(CC)nn1C)CCO2 1783048873 MYMNOPRIHHADQF-QGZVFWFLSA-N 456.284 0.664 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C[C@@H]21 1783530937 WWVPYXSNRHLXDX-RWASWJRHSA-N 496.608 0.726 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@@H]1NC(=O)OCc1ccccc1)CCO2 1783566129 YYJMLFCFZKYNES-RNHFSVANSA-N 483.521 0.999 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783686204 ISRSPVPZRIUSED-QHCPKHFHSA-N 454.564 0.706 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785244951 BRHQLEKFEHOCAO-XMMPIXPASA-N 489.594 0.955 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1785574974 WFTGNPLVECXESG-WZONZLPQSA-N 464.563 0.065 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1785596129 LXYPJWORSWLSJK-BQKRCXSJSA-N 489.529 0.801 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1785596746 WPPSDIYCQVJHCY-AIYSXCBHSA-N 473.530 0.683 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)N1CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1785611149 NATFQVXDWYTGEF-CFLDLGCGSA-N 461.515 0.692 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786705178 LQFVMPFQSCKDFJ-OVWQWFNUSA-N 466.535 0.726 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cnnn4)[C@H]3C2)ccc1Br 1787091961 MXKQPSRLVVBXDJ-QRTARXTBSA-N 474.319 0.601 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4CCOCC4)C[C@@H]32)c1 1789255801 IBAMVWFUGGSCSH-NYVOZVTQSA-N 456.543 0.882 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789955687 ULOCZMGRQRBHNT-RUZYHRDJSA-N 455.508 0.262 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1791222076 VBTWJOPDOZXVTF-QAETUUGQSA-N 486.591 0.208 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)NCC(C)C)C[C@@H]21 1792258208 YERYLKCUKGRTGY-OKYOBFRVSA-N 478.590 0.655 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480708 NIKILCPORMJREI-PNRPCRMYSA-N 483.525 0.898 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CO)o1 1798120408 MEXJLTCLZBHOQT-HIRMHNASSA-N 461.515 0.892 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COCCO)C3)CC1 1799236303 HXMMIUAHXIEJIE-IZZQQSIFSA-N 480.562 0.126 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2 1799322259 FWWVQLAFFHYHRL-DMUMMCEESA-N 466.579 0.962 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C 1800349508 FEMINYLQOGZQLD-BMQTXXJKSA-N 478.590 0.751 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)OCc2ccccc2)C1 1800441341 KEDVZCAWNOGKGS-JEYNEBQYSA-N 496.564 0.703 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnccn1)C2 1802125073 PHUBRQAFIXMIRC-YNVMFWSZSA-N 457.531 0.525 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C2 1802125489 WXGUPFJMFFJOFI-MHORFTMASA-N 464.563 0.407 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1803567091 KODSLSCOMVIREE-DDUZABMNSA-N 452.475 0.118 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1810390691 UMWZMMRCPCMBHP-AHZADQSTSA-N 474.481 0.844 30 20 JCED C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)[C@@H]1c1cccnc1 1812531227 CCURYODBYBVOSZ-OXJNMPFZSA-N 490.524 0.861 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819897943 FKXGHZSAAIWFDY-NUJWETOJSA-N 486.514 0.629 30 20 JCED O=C(CN1C(=O)C=CC1=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1822529053 FPCYANQXQJFMBK-CYLSLRMTSA-N 458.475 0.856 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cccc([N+](=O)[O-])c3=O)sc2C1 1824714244 OQHRINRPTJULOS-WSROAFLRSA-N 486.510 0.684 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CC2 1825663448 GQIYTCZMXWQHOZ-NXEZZACHSA-N 457.468 0.149 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1829769965 ABXZPLBFYLFWLK-QJKPHDSHSA-N 480.468 0.172 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1830461630 SPXRFZMAHHFYMU-DEOSSOPVSA-N 479.493 0.749 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830887263 VOEDNRBMWCSJDU-FDDCHVKYSA-N 463.531 0.435 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c(Cl)c1 1831019749 BPQVLUCSSDUEQQ-NRFANRHFSA-N 462.890 0.734 30 20 JCED COCCOCCOCCOCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831673162 BZYZQEVODJFDFB-FQEVSTJZSA-N 468.547 0.390 30 20 JCED CC(C)(C)OC(=O)NCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832055936 SXSMGXZGYHGTBY-QFIPXVFZSA-N 467.519 0.226 30 20 JCED COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1832767693 VMEZXZQYMRAADI-ZZTJDXDDSA-N 476.530 0.618 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834753852 RVERNTRYMOATMI-IPGXXCDGSA-N 486.591 0.018 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835354830 GATQGFWDIKIXHN-GEQKSPFYSA-N 480.562 0.771 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835667701 MZJCRQHBCJKBPQ-YADARESESA-N 472.590 0.730 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1835682752 UNPRVRZQZNUBNC-XMMPIXPASA-N 469.542 0.533 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1 1835716142 YTPARYONFRTCCW-LJQANCHMSA-N 450.580 0.973 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1835754144 UIIUYWUDYYYMHF-HRAATJIYSA-N 465.547 0.091 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1835778475 NHZAQEADRLOTEZ-PCLIKHOPSA-N 469.542 0.585 30 20 JCED O=C(Cn1cnnn1)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C2)C1 1836149383 VSOGKCKTUYEGLY-AREMUKBSSA-N 486.532 0.843 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836257824 NZHAFTRUJWBIOK-KSFYIVLOSA-N 478.571 0.677 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CCO2)C1 1836684709 IQIFXWBMFVPYDG-SQJMNOBHSA-N 470.570 0.894 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C3\C(=O)Nc4ccccc43)CCO2)C1 1837321753 VCSASCLEKABDOD-KWKTWUSGSA-N 453.495 0.517 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1837403618 OYQAGIGIILFRAB-JPYJTQIMSA-N 457.531 0.681 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837443605 LWKUJSBDAZFEEM-WWOVWOHCSA-N 462.551 0.071 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(NC(C)=O)o1)CCO2 1837453432 KKSZOICNSHRTOJ-JOCHJYFZSA-N 463.487 0.817 30 20 JCED Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493822 ZMTLNOCULJEJPZ-CYFREDJKSA-N 458.559 0.908 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837531842 XUKWOSOUGQCLHW-XXVAPRDTSA-N 465.463 0.522 30 20 JCED Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837533311 OFSCINHVTXCHAN-JAQCGGCRSA-N 463.535 0.738 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nnc(-c4ccccc4)o3)CCO2)C1 1837534535 NLBLPKOPTWTGEH-GAJHUEQPSA-N 454.483 0.845 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3cccnc3)[nH]n1)CCO2 1838025934 BPHRIFUQTLQETM-XLQQFJOYSA-N 480.525 0.400 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838063127 UVCKEYOFKFHTHW-NYHFZMIOSA-N 479.534 0.655 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)cc1 1838951417 PSTYCQLESKGPDY-XMMPIXPASA-N 478.509 0.272 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4N=C(C)CC4=O)cc3)CCO2)C1 1838992585 ATLLWDSUJQFZJW-DFBJGRDBSA-N 482.537 0.908 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccc(F)cc1 1839037312 GJMWFLXQXRBISP-LADGPHEKSA-N 457.502 0.873 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1839171893 HXIXCHUXEIDDIA-OAQYLSRUSA-N 453.442 0.939 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1839175932 MBYOWIWUGSJLBI-MBSDFSHPSA-N 461.515 0.815 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOCCOCCOCCOC)CCO2 1839220339 IAKYRYULZJFHRR-RUZDIDTESA-N 498.617 0.723 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839512160 NZHWTDCAFFFRQQ-VRWDYKOXSA-N 481.509 0.264 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719842 QQCJHSOLUFMECC-WZONZLPQSA-N 477.562 0.878 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839891709 SZBCRFVWGQTWDX-MGPUTAFESA-N 495.495 0.837 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CCO2 1840003013 PHDZSWAAXNBMGE-XZOQPEGZSA-N 476.530 0.232 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840089318 RNBYBCHQMNQHAN-IVZQSRNASA-N 461.519 0.870 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840180895 JGFSGPGUZNHJLP-GOTSBHOMSA-N 485.497 0.120 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251558 LLDBGJVNJLOHDV-KSFYIVLOSA-N 497.618 0.635 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1840361652 PGKZRGWQSPTYGJ-SBUREZEXSA-N 458.563 0.253 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814994 PUDRBKKPMCDZDJ-UZUQRXQVSA-N 480.562 0.412 30 20 JCED Cc1cc(C)n(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840818652 OAKNGJAGEUEBQB-XMMPIXPASA-N 467.526 0.907 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840830768 CCDBIAQEXURQBM-MBSDFSHPSA-N 465.547 0.891 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840843481 RSWUFBCGTINKOZ-DHIUTWEWSA-N 465.547 0.540 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840852271 JHJYVZNJAJHNQD-XMSQKQJNSA-N 451.568 0.029 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)CCO2)C1 1840856596 UWMBDEMJDNZRIB-MOADCYBESA-N 489.544 0.368 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840901548 LZYFYVNDBDQDRP-WATFSYAISA-N 482.537 0.973 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC)C2)C1 1840912733 OCVUADVOSGHDFL-GRJZNYKUSA-N 480.606 0.910 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840941557 RXSWFBLPSXHVNE-NLFFAJNJSA-N 492.617 0.845 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258062 MOKQSVFMXALFAN-QIWJOQEQSA-N 451.568 0.937 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC)NC(C)=O)C1 1844383490 IZFDQXMTKQBZSF-IAGOWNOFSA-N 452.552 0.810 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)CC1 1845136977 SHXHPNGYAIZRKY-HNNXBMFYSA-N 488.545 0.329 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034414 PEPNZUVDXBRITC-SFHVURJKSA-N 468.595 0.336 30 20 JCED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1847532346 BWXIAZOENNFGSX-IRXDYDNUSA-N 454.531 0.404 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccs3)c(=O)n2CCCC(=O)OC)CC1 501765958 NRWUZWDGQFPNGF-UHFFFAOYSA-N 474.608 0.592 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 514943086 NZTWKDUJJLQNCA-UHFFFAOYSA-N 482.541 0.838 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccccc1 603790089 CUZPCWTWGUSAML-UHFFFAOYSA-N 475.574 0.305 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 603846493 DJDZHHWXRKRMCE-NSHGMRRFSA-N 452.577 0.464 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(C(F)(F)F)c2)c1=O 604269910 ILFWSJGMXKMDAB-UHFFFAOYSA-N 464.469 0.798 30 20 JCED CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc2)CC1 604486145 BKCJTFCLKXCMBS-UHFFFAOYSA-N 452.519 0.329 30 20 JCED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 609337929 LTIDFCABXYQMEJ-UHFFFAOYSA-N 450.521 0.907 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)CC1 728573536 ZGGJRGYEMAJIFO-QGZVFWFLSA-N 451.449 0.660 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)c1=O 732473178 KZDDVJBCZRDJKD-UHFFFAOYSA-N 465.558 0.584 30 20 JCED Cc1cc2[nH]c(=O)c(C(=O)OCC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cn2n1 750212054 JWROSTPHWOGMLI-UHFFFAOYSA-N 477.437 0.956 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)c1cc(I)ccc1-n1cnnn1 781970649 MJXAQZWXDBFXRX-UHFFFAOYSA-N 456.200 0.436 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)cc1 811833763 QZJHZASOVXTFNY-HSZRJFAPSA-N 498.517 0.643 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCCc2cnn(-c3ccccc3)c2)c1 853720557 CBSIILDQWAIPSN-UHFFFAOYSA-N 467.507 0.924 30 20 JCED CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 913243594 YASPYKAZYHAVDP-MJGOQNOKSA-N 471.557 0.098 30 20 JCED CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1cccc(S(N)(=O)=O)c1 915948563 UYBUCCPYPJNWGE-UHFFFAOYSA-N 452.562 0.501 30 20 JCED Cn1c(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)nc2n(C)c1=O 918536457 HOTBXOYYLVDGPZ-UHFFFAOYSA-N 467.385 0.641 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2ccc3c(c2)OCO3)CC1 919641954 ZJOVHSWXCGPCKS-UHFFFAOYSA-N 471.491 0.906 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)cc2)CC1 919725071 RWIIHKNVOAVEQO-NRFANRHFSA-N 462.528 0.505 30 20 JCED CC(C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1287148393 GJGCGOKYBBAJOG-DBXWQHBBSA-N 481.623 0.195 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCCC1=O 1303866804 LFICGZDUQBRDNB-HOTGVXAUSA-N 453.569 0.410 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CN4CCCC4=O)n3CCNC(=O)C(C)C)CC2)c1C#N 1511663392 RAMQKFRNEKDWAG-UHFFFAOYSA-N 482.593 0.413 30 20 JCED Cn1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1 1517427193 SAJCPMVMHVHHEW-CQSZACIVSA-N 460.424 0.893 30 20 JCED CCOCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1548065808 PAOFFRQLBBTEFF-RTBURBONSA-N 495.650 0.850 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(-n2cccn2)c1 1692786164 RYXPLHBUCCCGSW-LIRRHRJNSA-N 459.511 0.959 30 20 JCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760307815 UUVNSCAXTGPDNS-UONOGXRCSA-N 453.341 0.965 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 1760374745 XAGMKPZVVVHYOC-INIZCTEOSA-N 472.999 0.859 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C1 1778085045 PSZBFENNPRIKLK-ZXHZAXBBSA-N 480.587 0.812 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1)c1ccc(O)cc1 1778790427 QYUXHPNCJXFWAM-JLGINSKQSA-N 473.526 0.784 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1778976332 OOROASADUVKEEZ-PKKBDPGCSA-N 481.590 0.761 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1779105293 BXXFKFHGKDPKER-VPUUYJAHSA-N 460.466 0.841 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1779395294 UEIPIHPMIQBNQX-VGOFRKELSA-N 458.515 0.714 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCN(C(C)=O)CC2)C3)c1 1780087669 OWNJMROJJBOKJN-ZEQKJWHPSA-N 497.596 0.858 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC=O)C1 1780730270 VDNXXVGOOUSQDT-VOLVWJTLSA-N 464.563 0.551 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781111869 PEUXFNYPUYIILC-YDSTWLSQSA-N 467.563 0.635 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)cc(C(F)(F)F)c1 1782033568 DHQCTRAHYZSVQU-HXUWFJFHSA-N 464.448 0.861 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1782643040 DSFZDCWGJWRTHY-XJDXJNMNSA-N 450.586 0.801 30 20 JCED CC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1783192407 XFLBAXKOIPZCSN-VGOFRKELSA-N 486.635 0.944 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCOCC4)n3)C[C@@H]21 1783530857 NWGCRFKPUSATMJ-JVCMNYIZSA-N 483.569 0.370 30 20 JCED COc1cc(/C=C/C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc(OC)c1OC 1783566222 RTEGYRKWPHRRSC-NVIZVJJSSA-N 458.467 0.644 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C[C@@H]21 1784486497 CSXBIIVHIAPQMF-VMXHOPILSA-N 495.573 0.461 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1784784411 MGYGZLCKYBHASJ-VMXHOPILSA-N 478.590 0.962 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1785576942 RMDHOCWYNWAFGY-FHAGJXEFSA-N 491.633 0.369 30 20 JCED N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787398547 CRSSVNZHTZAWIZ-WCHKWZEVSA-N 465.576 0.522 30 20 JCED O=C(COC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788531829 RQLPDLQJDGWHCB-JYJNAYRXSA-N 460.449 0.770 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccc(F)cc3)[C@H]2C1 1789695213 RWCYHPRFJZZNNV-OKSLILNBSA-N 459.518 0.962 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1789904414 OHASUOQIMICMSB-VJANTYMQSA-N 469.579 0.835 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1792256817 MMEAMCUDAMXICW-ATIWLJMLSA-N 450.536 0.017 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1793347523 FHQJYFFCRWXBDW-YFYQMDMQSA-N 472.542 0.250 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c(-c3cccs3)ccnc12 1796265147 UWIXVCXQXGXONI-VTEUUUEMSA-N 465.491 0.749 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1CCOC 1796588282 IDIVXDALGFKTDV-AJYBTWMASA-N 489.573 0.649 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O)c1ccc(O)cc1 1798358000 WKQUQVIAFJKNGY-DCXXXQMHSA-N 477.521 0.682 30 20 JCED COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)n1 1799325464 IEIPDAREDJTQJF-OPMZPASUSA-N 455.490 0.986 30 20 JCED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)cc2Cl)c(=O)nc1O 1799753857 VKHNXJJYYZEGFU-CCWDJLKJSA-N 471.901 0.686 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1800763873 SMKRFHAHEBJDQW-NFKFQMLOSA-N 464.522 0.344 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@](C)(O)CC(=O)O)c(O)n1 1801005554 JGEGVHKAASFPLF-FVCJEJCPSA-N 461.515 0.725 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)cnc2C1 1801989007 WEIGZIICKXSRJZ-MUJYYYPQSA-N 471.514 0.974 30 20 JCED C=CC[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2)NC(=O)OC(C)(C)C 1804013739 ODNNDHBIZFGGBN-YSTOQKLRSA-N 482.622 0.771 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804190381 NBTCYOSPYVDUSZ-OXJNMPFZSA-N 457.487 0.149 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1804356466 ZBNONYCLGPUOQX-BSIFCXSSSA-N 476.493 0.880 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807147662 NYOWYRIYYKTMFB-PCCBWWKXSA-N 487.557 0.864 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807354733 KKIIQDXHVDYPTB-SIXWZSSISA-N 451.487 0.723 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CNC(N)=O)[C@@H]2c2cccnc2)c(C#N)c1 1814228445 SETHQBANUHSHMY-JTSKRJEESA-N 450.499 0.879 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815850816 YAAXQOGNBMOLEM-LLVKDONJSA-N 491.599 0.802 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1819424164 KJNNEWHDKDQSEU-MRXNPFEDSA-N 456.503 0.652 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCN2C(=O)OCc1ccccc1 1828713431 KBLDNCPWANSINR-VWLOTQADSA-N 492.488 0.941 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCN2C(=O)OCc1ccccc1 1829211532 AZWFXCPPSQOCLL-QFQXNSOFSA-N 481.597 0.708 30 20 JCED Nc1ncc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)s1 1829332423 KXKZMCNQFFNFSS-HSZRJFAPSA-N 497.533 0.879 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCNC3=N)C2)C1 1829352472 ILHHKSOXPISORL-XMMPIXPASA-N 468.558 0.855 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC(=O)NC)C2)C1 1829460508 QKAMEDQBLICSBU-DEOSSOPVSA-N 454.527 0.988 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4ccc(F)cn34)C2)C1 1829771841 XEKVEWAKNSJXPK-WNWNSBFKSA-N 485.516 0.710 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1829773336 HGFPOQBOOYPKQQ-OENHHBGDSA-N 477.945 0.688 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(=O)OC)c1ccccc1)CCO2 1830408088 TXPZVUOROHVOFF-DRMXPCRNSA-N 473.526 0.578 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C(F)(F)F)C2)C1 1831386341 FOCASNAJGWSEGH-IFXJQAMLSA-N 458.437 0.547 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)C2)C1 1831403918 BHJXHMIXKGRDID-RAZUEPIFSA-N 497.564 0.829 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831447713 YSQJQUVZKHFTMY-JOCHJYFZSA-N 477.539 0.543 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1831496380 VPWAORUDDZVCFU-SIKLNZKXSA-N 465.620 0.743 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1831999287 ZHJSAFBLKBOVPV-WAIKUNEKSA-N 493.561 0.665 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccnc1C)CCO2 1832631804 XQFWPDGPTDJOPP-QZOBCFMQSA-N 456.543 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1c(=O)oc3ccccc31)CCO2 1832755025 AHPGLOJAPDWYCV-UTBBOMKLSA-N 498.536 0.299 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)ccc1F 1833475205 KTIBRMAJGZLENG-HSZRJFAPSA-N 470.457 0.409 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)NC(=O)C=C)C3)C2)c(O)n1 1833700294 SHPRZDNTQUNZJZ-BXKMTCNYSA-N 472.542 0.667 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)ccc21 1835099291 FGMMSLVTRRBZEV-MHZLTWQESA-N 488.544 0.999 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCNC(=S)NC)CC2)CC1 1835713584 OPRXESRBCFGZMF-SFHVURJKSA-N 453.653 0.615 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837330054 FQWVNRXAJYEJPP-OQLYQQOISA-N 495.602 0.937 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1837531727 VAHDOPQAEPEKAZ-AGVQAPASSA-N 471.461 0.877 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)o1 1837531887 ZKVIFNKLFORFOZ-GTBXIFBCSA-N 478.502 0.837 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1837735531 RDZDXZRGPKMMFS-CODAWKSHSA-N 472.542 0.535 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c(O)n1 1837794245 KZMOOLOMBWPYHM-JOCHJYFZSA-N 486.485 0.921 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N(C)C)nc1)CCO2 1838193457 HFGUWASMLOPQDU-XBKFQHLESA-N 457.531 0.076 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])c5c4OCO5)C3)C2)c1 1838737893 DUCQSCXIRVCDJO-QFIPXVFZSA-N 483.437 0.907 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)c1 1838905807 ALAHEGMHYWNTMY-QHCPKHFHSA-N 452.467 0.651 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)c1ccc(F)cc1 1839038344 DLWLLKPAGYRMSV-URXFXBBRSA-N 483.500 0.973 30 20 JCED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1839164275 LNEKQCZVDBRACA-VLIAUNLRSA-N 479.331 0.525 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1839228299 YQSZBCMDSGZKDQ-HRAATJIYSA-N 456.540 0.768 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(N(C)C(=O)OC(C)(C)C)nn3C)C2)C1 1839808413 QNABKMUXGPQQJG-JOCHJYFZSA-N 461.519 0.495 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)NC(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839881081 LDFKSCDATFYIFA-KDLAUNOPSA-N 494.589 0.533 30 20 JCED CCCC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C 1840043045 FHOXLJUZUVSZSE-DEOSSOPVSA-N 471.510 0.892 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(C)(C)S 1840044493 YUVRWNOXIVLMFE-VGSWGCGISA-N 499.586 0.133 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840055320 OTIKUMCUSNFVBG-MWTRTKDXSA-N 496.561 0.449 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840169099 JZVXPOXEJRHDRR-RPWUZVMVSA-N 479.574 0.930 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840371652 VNGNTUGZFLWFCA-QPPBQGQZSA-N 480.525 0.099 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCOC3)CCO2)C1 1840540835 JYNIBHWHOAGDRS-MCJPXMOYSA-N 479.574 0.949 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCO2 1840771600 HGVASDFKLLLSEU-VWLOTQADSA-N 465.506 0.990 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1)NC(=O)OC(C)(C)C 1840795483 LBQZBQKQZSTFIN-LLJLJFOGSA-N 494.589 0.581 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1840845246 QDRAVTLEEMUQLF-WZONZLPQSA-N 481.546 0.313 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1840908141 BJRJAPGVRFTYQX-MBSDFSHPSA-N 463.531 0.339 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)OC)C2)C1 1840913665 KHESQHLVIBTMSV-ROEJJBDBSA-N 467.563 0.947 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1840959283 DYSBIUFYKJRKBH-VGOFRKELSA-N 466.535 0.382 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2c(I)cnn2C)C1 1843602792 TXRNJBANBQVDIE-WAYWQWQTSA-N 483.310 0.700 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(NC(C)=O)c1 502056557 IRNWDDZTSGVTCD-UHFFFAOYSA-N 450.524 0.620 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCCC(=O)OC 517922941 BHKUQEAOSSUPLG-UHFFFAOYSA-N 461.515 0.576 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCN3C(=O)c4ccccc4C3=O)CC2)cc1 519061610 VVJLLJXJSIYQAS-UHFFFAOYSA-N 467.507 0.870 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1CC(N)=O 608910900 VVRFMOKJANLQCO-UHFFFAOYSA-N 495.464 0.324 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1 726577558 RQTBCAFRVDQUQS-UHFFFAOYSA-N 452.517 0.641 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cc(C(=O)OC)c(C)o3)c2=O)c1 726580302 MNVWFCWUFGJCOK-UHFFFAOYSA-N 491.525 0.834 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1 729673152 FMLNALNQUFUBKE-UHFFFAOYSA-N 459.593 0.642 30 20 JCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 914652068 TYPFPAMLHMBAEJ-FUHWJXTLSA-N 477.539 0.911 30 20 JCED CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918419208 BZRXPIXOTGKIFO-XLNRJJMWSA-N 464.548 0.264 30 20 JCED COc1ccc(S(=O)(=O)N2CCC(=NNC(=S)NCCN3CCOCC3)CC2)cc1 920360147 LMGDPMYPSCUWHB-UHFFFAOYSA-N 455.606 0.632 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCN1CCCO 1288841679 SCICJTLNSWPQOU-ZWOKBUDYSA-N 453.613 0.865 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1295364423 ZAJNLSUXRKOWSW-RYRKJORJSA-N 452.629 0.795 30 20 JCED CCCN1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1307036001 VPTLHLQHRCPOQY-JENIJYKNSA-N 464.640 0.797 30 20 JCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 1307539769 TVTLYWIJGCHWMB-GOSISDBHSA-N 453.547 0.708 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCN1S(C)(=O)=O 1505283141 XYBSEQPFMRDEPL-HNNXBMFYSA-N 457.560 0.813 30 20 JCED CC[C@H](C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1545699634 ZRLAPIXMZYKJEJ-BQFCYCMXSA-N 463.608 0.662 30 20 JCED CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1547318978 QCFYJLJXKFMUHJ-KRWDZBQOSA-N 489.577 0.996 30 20 JCED CCOC(=O)C1([S@@](C)=O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1627828293 OWSJRPWHMWCESL-IZPCHGGPSA-N 455.558 0.528 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCc1cnn(C)c1 1692792132 CGQDIQARMHCYHV-MAUKXSAKSA-N 461.596 0.431 30 20 JCED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 1729599036 MQCQIBXLQQRNAF-QFIPXVFZSA-N 474.587 0.809 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C 1761363330 LZESZBZZBNSEEM-YSVMAZNTSA-N 460.626 0.897 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCOC2)c1 1766940049 GCODJALOXNZRJM-OXJNMPFZSA-N 462.532 0.076 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780338099 YNUJDICZZHXLSJ-VGOFRKELSA-N 461.519 0.606 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780691407 CKKOHCMPIPQGCV-MBSDFSHPSA-N 458.515 0.887 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1780741215 NBKYJZPXQHSANI-CSODHUTKSA-N 456.561 0.587 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](CC)NC(N)=O)CCO2)C1 1781168203 DPROVSHKYQZFAU-QZTZHPFYSA-N 493.605 0.960 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4CCC(=O)N4)CCO3)C2)CC1 1781169924 DTNARJRJVYZKDW-XDHUDOTRSA-N 489.573 0.636 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1781354480 UNLIMZUHWNXBIT-OPAMFIHVSA-N 461.519 0.606 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1782012658 UPOIVZGNBXKGIE-KSEXMQBYSA-N 450.499 0.569 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CNC(=O)c5cccnc5)CCO4)C3)c2c1 1782192493 KESWVLSNEFVOJD-DEOSSOPVSA-N 473.493 0.703 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)c(O)n1 1782673802 PCJYZSPQUVGMFR-QHCPKHFHSA-N 469.498 0.924 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)[S@](=O)c3ccccc3)C2)C1 1782678685 PGLUCAJWYVWUJJ-INTMKLCQSA-N 459.568 0.871 30 20 JCED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1)C(F)(F)F 1783118164 KIIMWIPMLTZKKY-AUUYWEPGSA-N 458.437 0.890 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3Cc4ccccc4C3=O)C[C@@H]21 1783530893 SBKIEIDATIDALO-ZNYPETIFSA-N 480.565 0.871 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cc(Br)ccc1O)CCO2 1783565343 KRZSKFFMHDCGGY-IBGZPJMESA-N 451.273 0.615 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1783772080 ZDKAYLCJQKJHJE-ZOCZFRKYSA-N 463.539 0.533 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784597377 LBGFOTIEHQGMQD-STSQHVNTSA-N 489.577 0.761 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@H]4NC(=O)NC4=O)[C@H]3C2)c1 1785154542 MZIPFKLCPKKUBJ-DTBDJWGBSA-N 453.499 0.505 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1785573326 ZTRHUQRESUEWSZ-OSPHWJPCSA-N 488.541 0.048 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1785578269 WRAVBIAPPGFDPY-HOIFWPIMSA-N 460.535 0.586 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786698715 USJPCDDNBVKGPZ-QAETUUGQSA-N 478.546 0.726 30 20 JCED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1786700422 ACNXGGSBHBHKIN-LNLFQRSKSA-N 454.531 0.305 30 20 JCED COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786860331 XPBVPJGVIHPTOI-UFYCRDLUSA-N 468.595 0.318 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)N(C)C(C)=O)[C@H]3C2)c(C#N)c1 1787518881 MEZGAFFOPGVAJM-VPPRVIDZSA-N 456.543 0.956 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4cc(C)ccn4c3=O)[C@H]2C1 1788038762 SXJKLEPYVZDIPX-UMGGQSCQSA-N 452.511 0.635 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1790176387 YMHRGLZYJOKRGL-WCOWEIGRSA-N 464.519 0.521 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1)c1ccccc1 1790910997 LSKYWHJUCQWGFN-KIHHCIJBSA-N 471.598 0.450 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1793824972 ZBYDWBAYWYHSBA-UPHUGPLXSA-N 496.630 0.575 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794082816 RULWKUULTQXHJX-FZKCQIBNSA-N 463.535 0.646 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 1794592207 ANTJOQOIAGPXDG-YYIAUSFCSA-N 462.551 0.878 30 20 JCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(I)c(O)cc1O)C2 1795085591 VOVVQWDTPZPPPV-WRBXQSRGSA-N 471.251 0.819 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1 1795433561 UUSDEXUAQRHSRR-RCLSDMTESA-N 462.591 0.979 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1797696921 BHVDUZOPHAKRDB-LJGDNWOOSA-N 453.503 0.345 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C/N=C/c3ccco3)cnc2c1 1797838726 RDDIANDHZSRRLC-HFWGXOPJSA-N 463.494 0.918 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1797839459 JMFJZEUBJYVLLT-GBFHVWRSSA-N 457.443 0.058 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)S)cc1 1800981607 OGTYFKFQQQEJOG-FDPKGLCPSA-N 455.602 0.570 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(=O)n2O)C3)N(C(=O)OC(C)(C)C)C1 1801100240 FGGHRKLUNZAOGB-WQDJSCAQSA-N 488.541 0.854 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801979318 QFDJZFLRRYTUGG-LFZDHENXSA-N 454.527 0.449 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]2CCCO[C@@H]12 1802158994 SBIIBCHTGRLEGL-ZQNHQIHDSA-N 461.559 0.871 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1803506363 JWGOGNOEKLPOQT-OLQHLAOWSA-N 495.602 0.944 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCNC1=N)C2 1804405258 BSLHRIWMCKJTSW-WPZVUHSISA-N 460.579 0.934 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1807144824 BVVVVKBCBCEKHD-XLIONFOSSA-N 478.557 0.623 30 20 JCED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)c1 1811795203 KJFAZNOTKFKMKN-UYAOXDASSA-N 457.427 0.998 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1814041555 VRNFZPUYFPDXJK-NQIIRXRSSA-N 483.525 0.868 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825674731 NTVMYVUNHGBVMB-XUSGNXJCSA-N 478.527 0.515 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)CC1 1827674899 NPMBAUMTYKMPPD-GWQNQTGSSA-N 480.631 0.890 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1828579597 IKLOASVNCYJNAD-AVRWGWEMSA-N 495.536 0.353 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)NCCC#N)CC1 1828758151 FGNSWAXTGOHAGD-ROUUACIJSA-N 451.568 0.952 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCN1CCOCC1)CCN2C(=O)OCc1ccccc1 1828936588 VFCYXLNFGDQFOO-VWLOTQADSA-N 468.554 0.794 30 20 JCED CNCCCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332736 XCAIUXHNIFFPEO-XMMPIXPASA-N 470.526 0.526 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1829334741 MDDJQGZAGBISBW-YADARESESA-N 469.494 0.706 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C3)C2)C1 1829673253 IFBQFCQWRWKTLH-MHECFPHRSA-N 495.573 0.865 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1830836474 WBFJSELPTVXMGS-AFMDSPMNSA-N 499.564 0.649 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnccn4)CCO3)C2)c1 1830966559 RRBSGACPZXPOFS-QHCPKHFHSA-N 451.483 0.670 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1832000491 QTPWMRRNPPVYNM-AOMKIAJQSA-N 468.551 0.178 30 20 JCED O=C(O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)ncn1 1833488573 KHSDWUVBCBQKSU-QHCPKHFHSA-N 484.896 0.950 30 20 JCED C=CCCc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)c(O)n1 1834026288 DKLUAOAONLHOKD-UHFFFAOYSA-N 498.584 0.643 30 20 JCED CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1834419032 SNIXBTVHEKUITJ-QHCPKHFHSA-N 453.499 0.924 30 20 JCED CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835055948 DYZTZLAJRNASKK-SPGMVNHYSA-N 466.583 0.534 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835124397 FQBXAMNSVRSQPC-NXMSCROESA-N 494.589 0.581 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1835677136 IYUWCWMLUAZFKU-QHCPKHFHSA-N 454.531 0.915 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)nc4n[nH]cc34)CCO2)C1 1836364930 FUMCHNTWGFVWLN-SZNDQCEHSA-N 461.906 0.720 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)c1ccc(O)cc1 1837367461 ZMJHLBVKNCCCID-KOSHJBKYSA-N 468.510 0.222 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1coc([Si](C)(C)C)c1)CCO2 1837420284 QJZDFIZBYKQPPD-FUMRIQNTSA-N 475.618 0.753 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837443956 NKOJHXHMXWQTOI-XOBIUNJKSA-N 455.519 0.271 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n(C)n1 1837488355 BPXKWAGUAXPDNG-QHCPKHFHSA-N 460.531 0.197 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837491459 NNWBLXRWVRZPSX-DEOSSOPVSA-N 456.543 0.598 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1837560186 RVQNHNKJMIZFEB-SOWQTONRSA-N 486.569 0.946 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cc1 1837567500 ODEOYNFMUJGYQU-NGCBVDFASA-N 482.537 0.893 30 20 JCED CCc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)co1 1838135328 GLYKXYJIGHHAKI-JMQQFMRHSA-N 450.492 0.836 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(C)c1Cl)CCO2 1838304579 WEILNTLKMPAMKJ-FBQMEGEOSA-N 451.911 0.002 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838765582 JXNFNDKPONBDDH-SNMORSHISA-N 470.408 0.606 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)cc1OC)CCO2 1838878881 UGQDRFXEMBBLJU-IBLIISRWSA-N 473.526 0.632 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)c1 1838906234 ALMXUGBKEFUZKF-JOCHJYFZSA-N 451.439 0.430 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)CCO2)C1 1839082786 QCKRFRXGOQGASH-RAZUEPIFSA-N 463.575 0.417 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnn4C)C3)C2)c(C#N)c1 1839131494 HTNNCYAJOZOPFS-QHCPKHFHSA-N 453.499 0.613 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(OC)cn4)C3)C2)c(C#N)c1 1839132150 VWAMZDKHYJBRHF-XMMPIXPASA-N 481.509 0.678 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1839176308 HDWMPYCYPFECGP-AXHZCLLHSA-N 478.542 0.708 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1839184853 GBVFCUMPNDEZAP-IUKKYPGJSA-N 468.595 0.897 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1839227399 POAFBUSMFIGWKM-FDDCHVKYSA-N 477.562 0.544 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)c(O)c1)CCO2 1839329288 IUOWCEYXHVGTJI-IBGZPJMESA-N 467.272 0.313 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839436729 KOQXEHJHXXTGAE-ZOLLBZJMSA-N 498.540 0.866 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487785 XCFUNUPUDRTWSG-HSZRJFAPSA-N 479.497 0.560 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839723936 ZLBGHJIZSDEJKV-GAZXMLTASA-N 489.573 0.878 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(OC)cc4C#N)C3)C2)CC1 1839761990 OADZSYGXZOVHPN-DEOSSOPVSA-N 485.537 0.909 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(Cc4ccc(OC)cc4)c3)C2)C1 1839807271 RQBYWMQMQDWVGF-DEOSSOPVSA-N 452.511 0.572 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1)C(F)(F)F 1839893046 MZOTVWVNUKOMTF-MAUKXSAKSA-N 466.409 0.056 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840008293 FEEZFYCVMNXAIB-KOSHJBKYSA-N 492.573 0.630 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C(F)(F)F)ccn34)C2)C1 1840044612 OBSMISHOBUSKPK-FQEVSTJZSA-N 480.399 0.511 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)C1 1840044680 RFBNQDKKXVTFSF-FQEVSTJZSA-N 454.401 0.792 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COCCOCCOCc1ccccc1)CCO2 1840082560 BKXHIAPHUWUQMB-DEOSSOPVSA-N 475.542 0.606 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1840108122 JWFATXSZIBWJBG-RHGYRFJNSA-N 494.589 0.603 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1840820336 KVQAIMVFMRRXBO-XMMPIXPASA-N 476.493 0.979 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(=O)(=O)CC)cc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c1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 510519047 GSPKMCJOKUZUSM-UHFFFAOYSA-N 481.578 0.849 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CCN3CCCC3)CC2)cc1 515955926 XWXPANPKXUYAKB-UHFFFAOYSA-N 463.604 0.672 30 20 JCED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 516047194 VWSXOPPQWKHPJS-UHFFFAOYSA-N 456.480 0.816 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cc(C(N)=O)ccc3F)CC2)cc1 518073456 OCRBGSUPBGWBLJ-UHFFFAOYSA-N 459.459 0.268 30 20 JCED CN(CC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)S(=O)(=O)c1ccc(C#N)cc1 521767289 FIWHDWLBGOKGCV-UHFFFAOYSA-N 487.557 0.892 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(F)cc2F)c1=O 522284192 RRBLMJHWJJQAQH-UHFFFAOYSA-N 451.495 0.880 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCc1ccccn1 523578810 GISSSMDKTCFHMD-UHFFFAOYSA-N 488.569 0.844 30 20 JCED COc1ccccc1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccsc2)c1=O 603793320 WEOOIQZEQANODK-UHFFFAOYSA-N 496.614 0.921 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(OC)nc1 608883983 FOYHZQGTAJGATI-HNNXBMFYSA-N 492.557 0.892 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 608913072 RAENMJSBJCYXIR-UHFFFAOYSA-N 462.597 0.043 30 20 JCED CC1(C)Cc2cc(C=c3sc(=C(C#N)C(=O)NCCN4CCOCC4)n(C4CC4)c3=O)ccc2O1 609220247 SBFYITGJRPCCMB-UHFFFAOYSA-N 494.617 0.910 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCc2cnn(C)c2)C1=O 726738328 UKFODIQSTHPQST-OLRQPGBRSA-N 478.600 0.636 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2Br)c1=O 916199503 HOURAUAWMSFOFD-UHFFFAOYSA-N 478.368 0.681 30 20 JCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)COc1cccc(Br)c1C#N 1124439946 LEUJSRDYNYDKFS-GFCCVEGCSA-N 458.334 0.851 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccccc1 1301968832 QMYLLDVEJBBQNH-JKSUJKDBSA-N 466.589 0.755 30 20 JCED Cn1cc(N2CC[C@H](NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cn1 1354056726 SSQXAJOZXRTMGE-IBGZPJMESA-N 456.528 0.614 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359084542 LBVQZBBRCFTKLK-GJZGRUSLSA-N 488.408 0.916 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1359084813 SOPQVBHGSQIASM-LBPRGKRZSA-N 450.359 0.745 30 20 JCED CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1=O 1515879182 CMFUFTOEORUTJB-NRFANRHFSA-N 458.544 0.425 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CCO1 1554441856 JZZVAJPTXPWHID-IBGZPJMESA-N 453.547 0.879 30 20 JCED CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N2CCSCC2)CCOC1 1616213687 KNQMPZJAWVCCPB-MOPGFXCFSA-N 488.611 0.751 30 20 JCED CCN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1695505310 KOPVYKCIXBTZPR-INIZCTEOSA-N 453.569 0.219 30 20 JCED CCCNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1709826867 SOTKEGFLCALKDR-UHFFFAOYSA-N 470.582 0.573 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778053532 NUTNAHLXMJZQMS-NPMXOYFQSA-N 464.482 0.053 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778938988 GAQIWKAXQSEQNB-KOSHJBKYSA-N 483.525 0.563 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCOCCOCCOCCOC)CCO2)C1 1778978155 DHBCXRZHIBIZAS-YKSBVNFPSA-N 486.606 0.476 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1779017457 PWHOAAZCANRRDI-SGCYSOCQSA-N 477.587 0.541 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3cccnn3n2)C1 1779988105 CANKDTUKIYCXPI-TWEUYWRPSA-N 452.515 0.715 30 20 JCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)C3)c(=O)nc1O 1783111684 FWOZEKZOYCYDFB-LDBYXDLTSA-N 452.577 0.726 30 20 JCED CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783141950 IOJHXLOUAIXNMC-HSZRJFAPSA-N 477.562 0.493 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783557425 MBTHSAURGVWGSL-HXOBKFHXSA-N 487.513 0.093 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C2)C1 1783883875 MRHSVROFHIOBQZ-AOMKIAJQSA-N 464.519 0.255 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1784369697 RDZZTQDKVLVKSK-RCZVLFRGSA-N 478.553 0.791 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1784477825 OGRRWXOPPIOUPA-FYQPLNBISA-N 493.601 0.766 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784954176 OQCMFNNJJMFVGG-BZSNNMDCSA-N 462.623 0.569 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2)NC(=O)OC(C)(C)C 1785307203 ZKBTZOURQHMKTD-MWTRTKDXSA-N 493.561 0.228 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)CCO3)C2)CCC1 1785363089 NKOQQCZTXJYDMF-DEOSSOPVSA-N 466.542 0.545 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)C(C)(C)C 1787392614 NVJUWIFHXFYNLM-IUVQAAGXSA-N 465.547 0.994 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)n(C)c(=O)n4C)[C@H]2C1 1787959164 NNNIHMYYUOYYQR-DBSRCYSRSA-N 454.527 0.509 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1791133263 WRUUDECOLVQEJX-QTMHVTGLSA-N 492.573 0.926 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1792267094 XPRHJLAOKGRPKC-SOWBTEIWSA-N 499.630 0.870 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C1 1792450218 FMMRNQHTQBKHTO-JFQQFOBUSA-N 475.586 0.997 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1793598929 HIWOXDDNGKDFKV-RZFLPCETSA-N 485.603 0.623 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOC 1795357082 GBSSOPKJUBIUST-XSDDWTICSA-N 467.563 0.708 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O)NC(=O)OC(C)(C)C 1795639514 HLNBYXURSUDTBP-QOSLBHJFSA-N 481.594 0.028 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1)N1CCN(C)CC1 1796446780 DEWCHABWTKRAHO-QMIRBCPMSA-N 460.600 0.713 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1797811451 OGEAKMWXGRPOAT-IXLLBFHCSA-N 471.514 0.699 30 20 JCED COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798863379 UZXRVBACRJHMRC-IUTQVRIDSA-N 475.542 0.458 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC=O 1799287598 MPWXKFVZHYMOKX-QNDFHXLGSA-N 472.542 0.582 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)C2 1800982867 UGPQNWACPJDGGK-SCNOPHJPSA-N 460.531 0.952 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2)c1ccc(O)cc1 1801056056 GLDTYBZGYJZUAW-IYZCWLJXSA-N 473.526 0.543 30 20 JCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1801166677 AACMLKYUOPNZAZ-RVDAZCDBSA-N 463.575 0.997 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccco1)C2 1802124432 AOGVLOJVXCFJNL-KYHPRHEASA-N 459.499 0.969 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1802127980 MAGRPJNWGDJXTH-BMQTXXJKSA-N 476.574 0.505 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1802138661 PRQXQQYKPXIFNP-NEEVEDRESA-N 488.541 0.758 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1802235525 AOBKIHUOCFFTOA-RHQZKXFESA-N 481.590 0.785 30 20 JCED Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)COc2ccccc2C#N)C3)c(=O)nc1O 1804095400 HBMKSDWJKUBXFP-BCDXTJNWSA-N 451.483 0.846 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806078022 HPYVLRDXQLGXGW-MDYRTPRTSA-N 452.515 0.932 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806082491 HRTUQXQOSFSIJK-LSTHTHJFSA-N 466.542 0.914 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCCNC3=O)[C@H]1c1cccnc1 1809680399 YWEGJZOZHUWRAR-NBBDWSPISA-N 491.552 0.590 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)c1 1811406805 FQANMKQJZNLKON-PIPMEXSNSA-N 464.526 0.874 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1814065054 DYGYMRJMDUGGSU-CLOONOSVSA-N 473.489 0.963 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1819427631 GJCQTWYHGNWQEJ-IBGZPJMESA-N 461.563 0.387 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1 1824926472 UVHLAXPFSLNPPT-RZYVVHCUSA-N 452.558 0.491 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCN2C(=O)OCc1ccccc1 1829408192 WSNSJJKDKNZXCQ-CYFREDJKSA-N 469.494 0.563 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829471813 ORRPTMNNLNTKFF-HOYKHHGWSA-N 485.541 0.145 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc(C)s3)C2)C1 1829773651 PQTMVKJOQVXDRF-FJDKVYNBSA-N 460.556 0.780 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1829777770 CTSUILXXSJFKHF-JOCHJYFZSA-N 471.620 0.166 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC1)CCO2 1829881739 NLPPVXDGFFBUTL-HOYKHHGWSA-N 479.574 0.786 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)n1cnnn1 1830472205 FSFDBHAXSQAXAO-KKSFZXQISA-N 458.906 0.396 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 1830681811 DCOJIIHYKQIJAY-HXUWFJFHSA-N 465.846 0.335 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831316858 GBNKDOTYSLHQKI-FDDCHVKYSA-N 492.598 0.275 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832204948 HLMBBWBPPDUUHS-NHMXVPMISA-N 469.546 0.359 30 20 JCED COc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)ccn1 1832595879 JJOPUOKGPFPIFR-NHVVDLMHSA-N 473.574 0.951 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4c(=O)oc5ccccc54)CCO3)C2)CC1 1832760026 MABLDLBNZGRQBK-QHCPKHFHSA-N 454.483 0.745 30 20 JCED COc1cccnc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1832864501 LZRPURIOJUDLAW-RGXRWQALSA-N 473.574 0.951 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1833074843 GHQGDCNRSOPPHS-IFLIKKASSA-N 490.630 0.219 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(OC)nn2C)CCO3)c(C#N)c1 1833448308 ZQCQRNCPZKNXOG-DEOSSOPVSA-N 483.525 0.622 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cn(C)nc2OC)CCO3)c1 1833864770 LCTPSFQJQPQLQT-HSZRJFAPSA-N 469.498 0.693 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1834760378 ASXSEWUVUJUWMQ-HSZRJFAPSA-N 488.545 0.617 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1834773428 OPNNGFPYYCXKCV-OIUIXCLQSA-N 457.483 0.756 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835067906 APGNGUAHYOIVJL-PMACEKPBSA-N 480.654 0.704 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096326 BMEKRIFLRNOYJJ-CJFMBICVSA-N 487.553 0.380 30 20 JCED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c(=O)[nH]c1C 1835097034 PRJINJNJSYOSCC-XMMPIXPASA-N 450.495 0.508 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1835101643 BZYDOJOAIHWXJN-XMMPIXPASA-N 450.495 0.787 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835341890 LHRDGMZSUQPISA-LLJLJFOGSA-N 492.573 0.364 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1835678097 YBUUEXXMPKCMDM-HXUWFJFHSA-N 450.927 0.482 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)(C1)C2 1835682703 RUPIZPLQNHBPQG-VNXZQDSDSA-N 462.547 0.068 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1835717003 HKYPLGHCBNZUAB-UGKGYDQZSA-N 463.667 0.767 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1835778096 RYSRPEFORXQATD-XIEYBQDHSA-N 459.591 0.992 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3nn[nH]c3C(F)(F)F)CC2)CC1 1836175886 QBRXQQIUJDQIJS-ARJAWSKDSA-N 483.495 0.867 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1837395037 OJRMXJDSCGUCTP-HYBUGGRVSA-N 469.542 0.910 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1837526764 GCJYXEMVUGTXFJ-KQKDOZOKSA-N 464.475 0.092 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837527756 VMPYAULVENPCBU-WYIFPNPKSA-N 453.492 0.091 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562269 IUXIGIUZZSHENO-UBNNLIKPSA-N 455.515 0.120 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccncc5O)CCO4)C3)c2c1 1837819984 GDBIZJACMRZINX-QHCPKHFHSA-N 462.466 0.919 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3I)CCO2)C1 1837963258 GUVWFJIFDISMFA-BONVTDFDSA-N 480.328 0.403 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1838581926 WMHOSLMFPPUHHQ-DEOSSOPVSA-N 469.542 0.919 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838626112 HWXOEQTZEDMMPL-QRQCRPRQSA-N 475.454 0.432 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742326 CYYSRZIWKMKPCH-MZNJEOGPSA-N 465.510 0.775 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839124320 YDEZQDAPLYQNTE-GAJHUEQPSA-N 495.577 0.118 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4csnn4)C3)C2)c(C#N)c1 1839131596 MZOTYHRRTZVAON-OAQYLSRUSA-N 457.512 0.731 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839185838 NLZCKJXAEOQGEG-WZONZLPQSA-N 492.577 0.594 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)CCOC1 1839191269 BIPRYBIVQAYZRU-FCHUYYIVSA-N 466.535 0.430 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839203527 NQNODJJRCDCCHR-CYFREDJKSA-N 499.605 0.701 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210448 PHXCGZSXZCDRAU-KKSFZXQISA-N 491.532 0.930 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCOCCOCCOC)CCO2)C1 1839220472 OUVKLZSEJDBSFD-URXFXBBRSA-N 486.606 0.741 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1839227162 KUTNKUFEMZCVTQ-OPAMFIHVSA-N 463.535 0.796 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363600 ZBZQGFNQHAJHOS-FDDCHVKYSA-N 452.515 0.750 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])c(O)cc1C)CCO2 1839465722 KOZVNZXZYMORKJ-VMXOYPLMSA-N 488.497 0.537 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1ccnn1 1839710256 IBNJKMNNAVHHNJ-AOMKIAJQSA-N 456.478 0.549 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC4(CCN(C(=O)OC(C)(C)C)CC4)CO3)C2)C1 1839805249 FYPYXMFFJIXBTJ-DFBJGRDBSA-N 491.585 0.882 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CCOCC3)C2)C1 1839809682 HHNZSUSECKJEEP-DVECYGJZSA-N 479.574 0.786 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)OC)CCO2)C1 1840213150 GMAMTEQERIWNTM-JKSBSHDWSA-N 455.552 0.947 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1840218862 RQLPIDAVIDVVBB-ZEQRLZLVSA-N 477.558 0.228 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)ccc1F 1840381305 VBNPNONRHRKUBE-OAQYLSRUSA-N 474.518 0.607 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840473964 CYGSGBPSULUYJO-PNLZDCPESA-N 493.565 0.160 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)Cc5ccc(O)cn5)CCO4)C3)c2c1 1840497810 WEZSFRXYTCURQE-DEOSSOPVSA-N 476.493 0.848 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840895770 KVMFNIODUASSJR-SFHVURJKSA-N 459.615 0.222 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841236891 WAACEVLWGZHKCH-QGZVFWFLSA-N 458.515 0.508 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196665 BBHWDRHEBHAHFU-XMMPIXPASA-N 455.511 0.543 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)N(C(=O)OC(C)(C)C)C1 1846449551 PYTJJYVPTIWFTR-PKOBYXMFSA-N 464.563 0.406 30 20 JCED Cc1ccc(N(CCC#N)C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 10952913 BMQSIHFVUXSOEY-UHFFFAOYSA-N 452.471 0.541 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 16230802 NHGLYXKYWGLWIE-UHFFFAOYSA-N 492.535 0.653 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)nc(O)c4c3)CC2)cc1 486105956 UHTASHSOEVAWOT-UHFFFAOYSA-N 475.508 0.608 30 20 JCED COc1cc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc(OC)c1OC 508021400 GIXSBRIGXPLJDS-KRWDZBQOSA-N 488.522 0.828 30 20 JCED CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 517276699 JRJCVNAXCYCQQM-UHFFFAOYSA-N 499.549 0.545 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O 524124591 VPENZBCVRMAJID-UHFFFAOYSA-N 452.414 0.075 30 20 JCED N#Cc1ccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)cc1 603514233 SZIWJLDSQHQUFQ-UHFFFAOYSA-N 467.551 0.637 30 20 JCED COCCNS(=O)(=O)c1ccc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 603919472 JUNIPCHQDYVLIE-UHFFFAOYSA-N 465.553 0.714 30 20 JCED CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577112 JDKKBLBYENNZPJ-UHFFFAOYSA-N 494.577 0.166 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 729671464 OAIBDRSSZWHVOZ-UHFFFAOYSA-N 475.592 0.479 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCS(C)(=O)=O 729672905 NVUHMAXOWQDWQD-UHFFFAOYSA-N 467.544 0.131 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cn2c(O)nc3ccccc32)CC1 917277544 YQQOGXKILRCTGO-UHFFFAOYSA-N 483.506 0.690 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O 919014082 NSEHVZUMFDLLOJ-QFIPXVFZSA-N 492.554 0.092 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920417160 YSTWGPIDNBABGM-KBPBESRZSA-N 468.488 0.939 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 920613230 DSLSADIKNNYNCJ-SFHVURJKSA-N 450.561 0.998 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)[C@H](C)C1 1301759830 QEBBWNUYYAMEHE-QGZVFWFLSA-N 467.530 0.645 30 20 JCED CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1314950985 JWVLZIOJTKTGIM-NVXWUHKLSA-N 459.576 0.917 30 20 JCED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1315073253 LJMGWVKZPCMDPW-UHFFFAOYSA-N 486.602 0.144 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CC(=O)NCC(F)F)cc1 1316533516 SPVRBKGSSXNHMN-OAHLLOKOSA-N 459.457 0.921 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1554505713 ZLSQXFIMMRHLPW-OAHLLOKOSA-N 485.492 0.871 30 20 JCED CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCCS1(=O)=O 1603683903 YHJDHYWQDKTRGY-QGZVFWFLSA-N 473.607 0.889 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1 1606966591 MLPABBYZMSMFJI-SFHVURJKSA-N 484.623 0.919 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCSC1 1723953218 PCUOZVQARWQSMJ-KKSFZXQISA-N 491.643 0.955 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1727225990 VMXBGEVAYRXXLR-LPHOPBHVSA-N 492.650 0.655 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1728665461 XAKKKZNXHJHFLC-UHFFFAOYSA-N 493.616 0.239 30 20 JCED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)NCC(F)(F)F 1747193831 NJVHITZPFNPATC-ZDUSSCGKSA-N 467.456 0.870 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)CC2)CC1 1778321413 WHGPGOZSJXUARO-XMMPIXPASA-N 459.591 0.843 30 20 JCED O=C1CCc2ccc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)nc2N1 1779104088 FUNCCVMORRPSGX-FYGKWSDDSA-N 471.514 0.939 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107897 YNKLACOKNPVOEL-DAOMYPGZSA-N 470.523 0.188 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1781695708 WJPPQGYLIZURAM-VGOFRKELSA-N 460.531 0.899 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782749776 OLBABGOCWKIQCD-HJPURHCSSA-N 496.561 0.219 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c(C(F)(F)F)n1 1784115031 APDDKKKHXUYUOL-FQEVSTJZSA-N 477.399 0.341 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](S)C(C)C)[C@H]2C1 1784541807 SUNXOWOVXZBNAZ-BHNDVYRESA-N 451.593 0.391 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)[C@H]2C1 1785187916 ULLMIQAANQPRPW-MVJTYMMSSA-N 459.524 0.164 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369359 INGHYVSQXLHIAZ-WAIKUNEKSA-N 478.546 0.967 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380495 UJGJFEIOQHMYTK-NFBKMPQASA-N 473.482 0.262 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1785573652 XPYFFCNSIGFTJW-HJPURHCSSA-N 473.530 0.845 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1788095656 SVZJOJCOADOKCF-TXTZMMAHSA-N 450.536 0.498 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4CCCOC4=O)cc3)[C@H]2C1 1790283425 CORRIPZGOHTEKA-WDSOQIARSA-N 455.467 0.715 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C34CN(C(=O)OC(C)(C)C)C4)C[C@@H]21 1790793403 DNMKFRDGVYAJLO-XSLAGTTESA-N 495.598 0.024 30 20 JCED CCc1c(Br)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)nn1C 1791076039 KJVAHNJOQHSFCQ-OBJOEFQTSA-N 467.320 0.426 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1791101842 DJRUQLQONQKPKJ-CWVYHPPDSA-N 473.592 0.741 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21)c1ccc(O)cc1 1791335117 UWGVBFASTQHABP-OHNKGQGDSA-N 482.537 0.467 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)c(C(F)(F)F)n1 1791393755 VRXXTLKHMSMYOD-RCBQFDQVSA-N 491.426 0.490 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]32)cc1C#N 1792057655 XPMRCASCOSPEPT-WBKMXMRLSA-N 471.558 0.532 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1)C2 1792484255 BYVDZPUPQABPAU-WFSWCDRWSA-N 498.555 0.878 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccn(C)c2=O)c(C#N)c1 1793549777 XLBFRCRIXHEYQB-OPMZPASUSA-N 450.495 0.711 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1793592200 AIZUXUWFQWEEFO-DFGXFYAUSA-N 467.567 0.317 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1793592206 ASELKYUBJPCPSZ-NRUGXNMXSA-N 464.563 0.572 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)C1 1795408980 VGZUIFPUSBPCGX-ADHGMGHFSA-N 462.547 0.498 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420554 HBPXUDIXNATZIX-KRXQYRFLSA-N 452.508 0.336 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1796301196 RSSKFSRMMVRDJP-RDGPPVDQSA-N 458.515 0.647 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC 1797583531 FHPZYIOBRMNAIS-IWSXDTNSSA-N 484.550 0.110 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799349925 HVYXISGYQQWZPN-JJTUDDRGSA-N 459.609 0.806 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1799365294 OQLLNJRPJSUBJY-RCJHGTSTSA-N 457.593 0.771 30 20 JCED CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)COc3ccccc3C#N)C4)cc2C1 1800130396 HNAVPQOZDWPBLN-NHKMSHSESA-N 478.553 0.872 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800779183 XWNMMPCUGCQQQJ-BBPSPNIXSA-N 461.515 0.311 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1800982001 UQAYXPQLNXFTHA-LRJIMHBDSA-N 477.649 0.556 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)C2 1800982864 UGPQNWACPJDGGK-NYCLONFESA-N 460.531 0.952 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1804093513 BYQUUTABSAQYOD-KKSFZXQISA-N 464.457 0.964 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC3(CCN(C(=O)C#CC(=O)O)CC3)C2)[C@@H](O)C1 1804796895 CZNWQICVFVQPCT-ROUUACIJSA-N 477.558 0.924 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1808450394 NQIKWNHYFLIBKL-NFBKMPQASA-N 457.575 0.844 30 20 JCED O=C(CN(CCO)CCO)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1812715812 YWMKGIZWFUHKKE-KQLUBGJGSA-N 457.531 0.086 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817063426 LRJLAFVUDKWURW-MBNYWOFBSA-N 452.581 0.811 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](COC(C)=O)OC(C)=O)sc2C1 1819852018 RWWPTIMROQADBX-DJSGYFEHSA-N 451.501 0.588 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975708 GHHQHURJBKLJHZ-PXDRNWIDSA-N 480.631 0.195 30 20 JCED C=C1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](N)CN)CC3)N(C(=O)OC(C)(C)C)C1 1826287051 MAEZIVQVNIMLJE-YDHLFZDLSA-N 464.592 0.907 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCN2C(=O)OCc1ccccc1 1828640038 PBZWYKKMBYWJAQ-RUZDIDTESA-N 491.504 0.559 30 20 JCED C#CCCC(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828989763 IEAWZMRNKLFHOT-CPJSRVTESA-N 483.569 0.445 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829476173 OWTHLZUKXDQHSZ-QVKFZJNVSA-N 463.560 0.425 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907200 AGZNDJJRRGEQAG-XZOQPEGZSA-N 459.499 0.173 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830886734 ZRTRIVYTBGOCMD-IUKKYPGJSA-N 469.579 0.931 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccccc1OC)CCO2 1830988118 WSJYZJQSXAAUJM-WNFFGTKGSA-N 471.554 0.943 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1831404582 QPPSAMFHPTUFTP-NFBKMPQASA-N 453.580 0.976 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1831405532 CWNLONHHYDTVHC-OSPHWJPCSA-N 490.557 0.432 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1831998348 MXTXTOZVYJEKBU-ZHRRBRCNSA-N 478.550 0.355 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnnn2C)CCO3)c(O)n1 1833225161 GAAKUXFNTMALBI-JOCHJYFZSA-N 456.503 0.418 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1833238212 KDOCRBQBTNTIRE-UHFFFAOYSA-N 485.972 0.815 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)on3)CCO2)C1 1834350383 OLWJKLRVJQPVBO-HXOBKFHXSA-N 476.530 0.970 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835364619 BBTZHMWEBCMTIE-REWPJTCUSA-N 460.506 0.633 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835427049 TVIMPNNAWPZPRU-ZHRRBRCNSA-N 468.551 0.000 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1835774129 CILKFIYPFHCRAE-HXUWFJFHSA-N 475.590 0.858 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836375356 OFPYGKFVYKEMPZ-HXUWFJFHSA-N 477.650 0.703 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1837397234 UDEPEFYUEAXANZ-YTZAWJCFSA-N 499.605 0.556 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1837401388 YVWFLTDTUJTSIO-DVECYGJZSA-N 475.542 0.901 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837884052 XVBZLGOBSHWMIH-HXUWFJFHSA-N 471.558 0.528 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C)CCO2)C1 1838220605 JDVCIVAIASFBJP-MHECFPHRSA-N 487.557 0.772 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CNC(C)=O)C3)C2)c1 1838579125 CMFRMVJKLLNOOC-DEOSSOPVSA-N 472.542 0.799 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)CC2)CC1 1838733992 SXMOLQXLWVJDPY-DHLKQENFSA-N 483.565 0.708 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839130772 TVTKZPHALJFAKJ-RLSLOFABSA-N 490.601 0.668 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3nccs3)C2)C1 1839173876 RJFLFGXRCZBNTR-HRAATJIYSA-N 466.560 0.909 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1839173900 TUIDLIQKPGVOGL-JOCHJYFZSA-N 492.485 0.578 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839183879 IFVIDVITDSPHQK-MBSDFSHPSA-N 458.515 0.919 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839486068 KOLGYJPQPRSTCU-VRWDYKOXSA-N 478.509 0.363 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839622955 FICWGITUCCJYRV-OXJNMPFZSA-N 451.524 0.893 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O1)CCO2 1840016576 KVKGBAMPKJZBLR-PRHHBONVSA-N 463.531 0.100 30 20 JCED COc1ccc(-c2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)n[nH]2)cc1 1840042030 WEIOYEYQIBQBPL-QHCPKHFHSA-N 468.466 0.243 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)S)CCO2)C1)c1ccc(F)cc1 1840162674 FCTMGFHHIBDXSZ-CFCCAZDESA-N 453.536 0.778 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/OCC)CCO2)C1 1840312146 NVBZQBGYAKNTQE-OYHWUVMWSA-N 465.547 0.910 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840861384 XCSYXSMAHWOMLQ-BJKOFHAPSA-N 493.557 0.568 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(C)=O)C1 1842610802 BVXNCXXAUKZBDL-OAHLLOKOSA-N 452.508 0.584 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1842872919 WBMSKPSOMZJUNN-MRXNPFEDSA-N 486.577 0.860 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845020077 WBPCYDGYJMKHEZ-MRXNPFEDSA-N 451.401 0.443 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)NCCC#N 1847639076 DDQZIHWIYAGWIF-IKGGRYGDSA-N 451.568 0.746 30 20 JCED N#Cc1c(CCCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)nn(-c2ccc(F)cc2)c1N 25165843 GNQJLROGLKZIFI-PBHICJAKSA-N 488.545 0.550 30 20 JCED CCCCn1c(N)c(N(C(=O)Cn2cc(C(=O)OC)cc(C#N)c2=O)C2CCCC2)c(=O)[nH]c1=O 25965036 ZHPZPAIPRZPRNE-UHFFFAOYSA-N 484.513 0.715 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(-c2ccccc2F)c1=O 502054666 DCHKRXJLMPUGRC-HNNXBMFYSA-N 453.499 0.570 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(CN4CCC(C(N)=O)CC4)c3)CC2)nc1 516094939 CATSOEIAPULYLQ-UHFFFAOYSA-N 475.553 0.938 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 522619057 YXGBUJBMDHQVLO-UHFFFAOYSA-N 458.544 0.410 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(CCc3cccnc3)c2=O)cn1 727813700 FQMDRRJFKNXTEB-UHFFFAOYSA-N 460.519 0.693 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1c(C)cccc1C 838354296 WDCFNBWAARNJPZ-UHFFFAOYSA-N 451.552 0.905 30 20 JCED CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 918913726 RYWRYVAFIBYXCA-LJQANCHMSA-N 476.555 0.629 30 20 JCED N#Cc1ccc(NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 919624611 WKVKAPYJNUKXSB-UHFFFAOYSA-N 487.494 0.955 30 20 JCED CCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cn1 1295928133 PFJVMTFJFYCJIS-YJBOKZPZSA-N 452.516 0.318 30 20 JCED CN(C)S(=O)(=O)N[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCCC1 1299207300 VYXNTOKBHOTNDD-GOSISDBHSA-N 456.590 0.544 30 20 JCED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507775867 YSNSQOYYUAEFMS-UHFFFAOYSA-N 484.399 0.306 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCC[C@H]1C 1611707242 NKRZNAXEAGCDLE-MJEZEWASSA-N 451.597 0.616 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1695930830 JXHCGOYMZXHQKN-UHFFFAOYSA-N 453.547 0.616 30 20 JCED CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1767806268 XEUMLYSRXKLBQQ-IBGZPJMESA-N 450.547 0.949 30 20 JCED O=C1NCCCn2nc(C(=O)N3CC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cc21 1778381352 ZTBWJBQGXVBVGR-YVABFXQFSA-N 454.487 0.172 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c(C#N)c1 1778384284 ZPTJKDQIUXDDJK-RUZDIDTESA-N 492.536 0.583 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)c1nc2ncccn2n1 1778586474 JUNOFHCHKGXKQU-ZLMOUHMRSA-N 454.535 0.724 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778910237 HFRLMXKGEMLDGA-WIYYLYMNSA-N 456.534 0.876 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1778968768 VOVAGIGFIMEWSX-DGGJZMOXSA-N 469.579 0.665 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779205630 FXWDTUWGKHUFAL-KOSHJBKYSA-N 485.541 0.767 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](O)N3CCOCC3)C2)cc1 1779415813 OATDBEHBGLDDIO-FGCOXFRFSA-N 456.543 0.531 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335308 YMLPSPSBQGTZNK-JTSKRJEESA-N 461.519 0.870 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1781047336 IQPWLZYGLZAZIU-JTUHZDRVSA-N 481.594 0.625 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1781083160 JZQMHTBRHZYZDF-MTNXABLMSA-N 498.552 0.980 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1781290913 KFEGAUPMBZKRCG-DGGJZMOXSA-N 464.563 0.954 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781299212 ILVVIEOKUBNDHW-AUSIDOKSSA-N 476.505 0.913 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781352784 FVCSUMBTORROEZ-LZJSLVMGSA-N 481.594 0.564 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782604544 SFOISQMQYFPBQY-LLFPJYNESA-N 451.527 0.441 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)C13CN(C(=O)OC(C)(C)C)C3)CCO2 1783920587 FZANNWSILMIVFX-VGSWGCGISA-N 497.614 0.817 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1785574762 REDYIRZCBWBADO-XOBRGWDASA-N 453.565 0.360 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789198048 CJJZPZJFHOXIMR-BQFCYCMXSA-N 469.498 0.192 30 20 JCED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1790571658 LKOSWHAPPMVYEJ-VDGAXYAQSA-N 473.599 0.573 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(n4ccnc4)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1790793370 AQIRIZCXXRVTRS-LYXWCMDISA-N 471.558 0.832 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1 1790846835 IMDSQXUDOMHKDJ-MUGJNUQGSA-N 478.590 0.799 30 20 JCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)[C@H]2C1 1792308653 XVBHJHLGNUTWEA-UFYCRDLUSA-N 490.601 0.849 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)C1 1792970833 USFOCRGBLDEIDZ-GAURBIRRSA-N 451.520 0.694 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1793334535 FAKOCTSQKZRDJD-RDGPPVDQSA-N 472.542 0.943 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1C 1793545215 VEOCJXJIVWYCIB-NBMJBFSESA-N 459.547 0.848 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1)NC(=O)OC(C)(C)C 1795443205 CBTKDOBDJROBCL-WEMPKCCASA-N 480.606 0.768 30 20 JCED O=C1CCc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3(O)CCCCC3)C4)nc2N1 1796105088 IATDEDBZWAEPRU-OPMZPASUSA-N 466.538 0.868 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1799684388 IGJPKMKIEDOZSQ-NNNWTRQLSA-N 474.514 0.370 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1810249872 AITHUPOHRKSLLF-GJYPPUQNSA-N 452.515 0.863 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)COc2cccnn2)[C@@H]1c1cccnc1 1813385639 SOOYDICQBWCNHS-QDFBPKLPSA-N 450.499 0.815 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1 1817315148 DJSBCAJCRWNYTG-MRXNPFEDSA-N 467.534 0.937 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCNC4=O)sc2C1 1818910296 NGEDNVSASDSOEW-QWHCGFSZSA-N 456.528 0.737 30 20 JCED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)n[nH]2)CC1 1821780692 PSGRTYQPDNRLRG-NUEKZKHPSA-N 485.570 0.886 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822205654 MUXKHHGFBIAPKB-LSDHHAIUSA-N 491.501 0.946 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1828513585 GDMGGSKMPDAQBP-XMMPIXPASA-N 480.525 0.864 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1828583844 BEHAILZHYIIVAR-VGOFRKELSA-N 465.572 0.704 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(O)n1)CCN2C(=O)OCc1ccccc1 1828713430 KBLDNCPWANSINR-RUZDIDTESA-N 492.488 0.941 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](N)CCC(N)=O)CCN3C(=O)OCc3ccccc3)C2)CC1 1828967752 OIAHLGRGTKEHAM-UQBPGWFLSA-N 496.568 0.335 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(=O)C3CC3)C2)C1 1829330854 SNTBKTBXBPQUMT-XMMPIXPASA-N 467.478 0.506 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1cccn1 1829393743 UYXOAMPCDSAUNN-UQBPGWFLSA-N 493.520 0.984 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc4ccccc34)C2)C1 1829765268 QHJCDVMYBNIHFF-IBLIISRWSA-N 468.510 0.685 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1830026815 QYRCDPUCHLCDSE-UZUQRXQVSA-N 467.563 0.949 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1830042345 GFWDEJLECTUMOO-HXUWFJFHSA-N 498.462 0.313 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)CC1 1830460419 JZKFUYWAQZUBFV-SANMLTNESA-N 497.596 0.111 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 1830876286 OARIGGSBNYWILL-PNCHPQGNSA-N 469.579 0.929 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1831019336 AWWGUXFIIQHCAN-QFIPXVFZSA-N 458.471 0.089 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831386219 CYCUYWLKFFTPLB-KHCICDEESA-N 495.573 0.117 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OCC3CC3)C2)C1 1831391517 PQFRBUNVZKUKGQ-HOYKHHGWSA-N 457.527 0.979 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1831399226 RYHNAHRVZUYUIY-OYHNWAKOSA-N 471.470 0.579 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)OCC=C)CCO2 1831438992 ZIWMAKUDLHHEBA-JXQFQVJHSA-N 479.574 0.951 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](S)C(C)C)CCO3)C2)n1 1831491859 HACQQYYXHDJMFV-XMSQKQJNSA-N 466.604 0.698 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1 1831997728 FPYLKPWDMIKZEE-FDDCHVKYSA-N 485.578 0.575 30 20 JCED C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1)C(F)(F)F 1832149579 AFSPVNPIDUHVNS-OLZOCXBDSA-N 484.321 0.111 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832200009 XALIINCAFPRRFL-HSZRJFAPSA-N 457.531 0.871 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832677272 UZIWPNFKIFZXGP-DNSLKSLXSA-N 462.503 0.446 30 20 JCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1833428101 MEIORZQQBPKVDM-UHFFFAOYSA-N 452.559 0.615 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n(C)n1 1833443377 GRRVUJZHEWTKPF-HSZRJFAPSA-N 460.531 0.197 30 20 JCED CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)o1 1833902337 GJMJLMKNSVFUGN-XZYKOBSISA-N 465.507 0.340 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(OC(F)F)cn3)CC2)CC1 1834008727 CYBDRYZVSPZOJC-UHFFFAOYSA-N 450.442 0.956 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn(C)c2)CCO3)c(C#N)c1 1834173750 JCMLAMFEZCQIBP-QHCPKHFHSA-N 453.499 0.613 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CN4CCNC4=N)CC3)CC2)cc1 1834703254 LDTNRMQMNNMBCD-UHFFFAOYSA-N 451.575 0.512 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CC[C@H](N)C(N)=O)CC3)CC2)cc1 1834732484 RAIOJZIWZCMDNT-NRFANRHFSA-N 454.575 0.265 30 20 JCED CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c1 1834767996 WQCSZIPJTXPTKS-IBGZPJMESA-N 455.920 0.727 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835066237 WMZDKWAHOOQIDE-RBUKOAKNSA-N 466.627 0.313 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835362501 MIOJSICLIXGKDB-RTFZILSDSA-N 480.562 0.507 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835769079 SBKDJGNMNKPDOO-FQJGDMNZSA-N 482.578 0.703 30 20 JCED Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835803974 PJQHTKLOFRMNQR-XMPRZIBXSA-N 467.548 0.633 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c(CC)c1I)CCO2 1836232757 CPIULENMKRXHLS-KRWDZBQOSA-N 472.283 0.280 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836394888 YWJKMCYJVIHSSK-RWTMDTCBSA-N 472.502 0.328 30 20 JCED CCS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1836847030 RSPWAGDKZYMVRC-UHFFFAOYSA-N 456.609 0.702 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c(O)n1 1837249448 CNEXCMVYYLUZST-HAAQQRBASA-N 484.553 0.811 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1837403588 OFDNFEMUECDTEE-WMZHIEFXSA-N 498.573 0.872 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565308 RUGCUURMDCBHOG-ZHUZAGQNSA-N 483.525 0.368 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838063129 UVCKEYOFKFHTHW-QRQCRPRQSA-N 479.534 0.655 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838480703 FIHAJCXUCBTFOA-DEOSSOPVSA-N 480.477 0.831 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838583588 IXYKQYRBKZNYRS-QPPBQGQZSA-N 472.542 0.942 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838599337 FKVNSVHRKYBPDG-FCHUYYIVSA-N 479.917 0.897 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1838953116 SBLIEJBSHZTWLU-DVECYGJZSA-N 455.559 0.264 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1839176291 GSLDRFYQGWZVAW-SQJMNOBHSA-N 484.553 0.718 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(NC(=O)C3CC3)cc1)CCO2 1839249626 ZDOKGNPAACOHEC-RASRKNKNSA-N 496.564 0.964 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(O)c1OC 1839376603 HUPUSCQGKVAGPS-XMMPIXPASA-N 490.557 0.761 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc6cccnn6n5)C4)C3)c2c1 1839489107 PRPBWTYGIWMMIK-XMMPIXPASA-N 486.492 0.861 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H]5CCNC(=O)C5)C4)C3)c2c1 1839489173 OUSSDHLNEXUEQF-HJPURHCSSA-N 466.498 0.031 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(C#N)c5)C4)C3)cc2C1 1839622140 NEYPVLZLKZBJQD-VWLOTQADSA-N 478.553 0.974 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1840160584 LSQZQLQBEJOFNW-NRVIRDBHSA-N 487.619 0.379 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1)c1ccc(O)cc1 1840220236 DNLTYFHMPQNPOC-YADARESESA-N 473.526 0.702 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)cc1C#N 1840764103 JLOLRKLWQCMMOA-UZUQRXQVSA-N 483.529 0.663 30 20 JCED COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2 1840764108 JSCOTZLIMIDMMW-HSZRJFAPSA-N 474.514 0.771 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840882572 KIIVHHMKJISHNM-VGSWGCGISA-N 482.534 0.203 30 20 JCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1846371609 CQWICIKIYRRPCG-HNNXBMFYSA-N 453.586 0.843 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C 1847261751 KVTOTLHNVIEDFZ-ZAYASYOMSA-N 460.531 0.973 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)NC[C@@H]1CCS(=O)(=O)C1 509733080 ZEJNPHNZXAVBQO-PWSUYJOCSA-N 453.464 0.795 30 20 JCED N#Cc1cccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 517511855 VAHLBXZUVSTTAQ-UHFFFAOYSA-N 476.536 0.725 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 522542769 SHUXVKYTOBCOKY-UHFFFAOYSA-N 494.529 0.715 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)cn1 523182513 PJCKXCJVCYSHGG-CQSZACIVSA-N 482.522 0.678 30 20 JCED Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 576059299 ZVJASJKELKGAMP-UHFFFAOYSA-N 462.553 0.678 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O 588156571 FGQHNQGCCJVDOY-UHFFFAOYSA-N 483.575 0.211 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccc2c(c1)OCCO2 604118844 TXMNIPPEDWVGOR-UHFFFAOYSA-N 497.554 0.323 30 20 JCED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 609128841 SMAAAVTXUDPFSE-IBGZPJMESA-N 455.494 0.641 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccccn2)c1=O 729675218 VDSPPQJOELQJIH-UHFFFAOYSA-N 454.533 0.491 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OCCO2 839370413 NXFUPAHAZGWWSL-UHFFFAOYSA-N 465.535 0.679 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccc3c(c2)CCNC3=O)CC1 1473041141 NRHGZVLHOOMXGA-UHFFFAOYSA-N 454.508 0.756 30 20 JCED CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1502199568 OAYOHWDVXKLPFC-QFBILLFUSA-N 455.560 0.537 30 20 JCED CC(C)C(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1508820743 IZQQOWVPJUEPOX-QGZVFWFLSA-N 467.596 0.513 30 20 JCED CC(C)(C)[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541235661 ZASUGKACJBIVRD-YXOGEAQLSA-N 468.649 0.904 30 20 JCED CCN(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C1CC1 1547578735 GEZVNGQDMHXQLD-MAUKXSAKSA-N 450.613 0.549 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 1652905860 UMVQEVQUCFLVAG-CABCVRRESA-N 455.544 0.484 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2nccs2)C1 1698313044 RPQPHLQYSRADSY-GUYCJALGSA-N 455.541 0.752 30 20 JCED CNC(=O)C(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1748074978 RKSMGJNGDJSTMV-INIZCTEOSA-N 475.575 0.696 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1748292135 NSFRCFGGBLBTTP-UHFFFAOYSA-N 456.532 0.989 30 20 JCED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H](C)O1 1749579138 WDZRQQZDJMSIJH-MAUKXSAKSA-N 464.548 0.518 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2)C1 1750211717 RVHIXUAUCRGOSV-ROUUACIJSA-N 467.596 0.216 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1761438200 ZYPANRGFJDNGQA-FQEVSTJZSA-N 497.600 0.992 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1768463987 ZQKNSYIJMJJOFU-IBGZPJMESA-N 467.530 0.645 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(=O)NC2CC2)C1 1771361618 NTFFHVOKPABEKL-BEFAXECRSA-N 469.543 0.112 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C2)C1 1778808933 ZEBQYYQDJVXNBH-UUOWRZLLSA-N 492.621 0.776 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779947927 UMBDNUWLHDSBHM-QHCPKHFHSA-N 483.550 0.521 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C1)C2 1780335687 DKXXXZLHHMELJK-OSPHWJPCSA-N 480.525 0.966 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2ccncc2=O)C3)c(C#N)c1 1780687836 KVJAQFTYFMHYBN-PXDATVDWSA-N 479.537 0.880 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 1780785145 KCNICFFNFWWUOO-NRAIQUKZSA-N 481.590 0.814 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)[C@@H](O)C1 1781112807 DZZIKSZBXQFDNJ-TXBYWVTISA-N 473.530 0.558 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781354846 JKTSGBVSOGFRQX-GAJHUEQPSA-N 483.562 0.601 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5nc[nH]c5[N+](=O)[O-])CCO4)C3)c2c1 1782196055 QWZIAIHRMKXYPN-FQEVSTJZSA-N 450.415 0.823 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1783131688 FHWSRLJERGEYHQ-WZONZLPQSA-N 467.482 0.966 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567537 RYAWNHZDSQAACR-UDNQCKOASA-N 461.515 0.692 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](COC)NC(C)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1784093386 KWHTVIVJNROPCD-IMWIBFENSA-N 494.589 0.533 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@H](O)N4CCOCC4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784093968 QXOQEZLQMSFINE-WXVUKLJWSA-N 494.589 0.033 30 20 JCED COc1cc(N2CCC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCC#N)C[C@@H]43)CC2)ncn1 1784242010 SMWZYDTVHQLUAN-FHWLQOOXSA-N 456.547 0.985 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1785575558 DILZNEYMQOOJMH-ZHRRBRCNSA-N 462.503 0.527 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1789904055 DZGKRVSGDMFSHA-VJANTYMQSA-N 492.621 0.666 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1 1789972443 WLWFZZQNFVELDT-XSLAGTTESA-N 460.535 0.174 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790580168 RHHAZTOQUCQPAQ-OKYOBFRVSA-N 489.573 0.692 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1792529566 TYQBOQKHQPYHIG-LDXCWZNISA-N 469.604 0.778 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1793595001 JHRFWPSWYZIHIW-RCLSDMTESA-N 480.606 0.768 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnc[nH]1 1794011214 WHOYALOURQXXBN-YNVMFWSZSA-N 459.547 0.849 30 20 JCED CC(C)(C)OC(=O)N1CCC(CNCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)CC1 1795083587 PVHMELWPQLWVHX-RMFSNUHRSA-N 463.579 0.726 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1 1796313149 NTESUCWARVTLCF-WPVAHCMFSA-N 460.575 0.801 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)n1 1797812689 YRWBTVBWIWQYSK-ICAPBPQOSA-N 477.474 0.731 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797840002 OWGIZMPMMAPWAT-GDQZUHIUSA-N 478.546 0.564 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cccn(C(F)F)c1=O 1797992647 QSTUFOGINRWHHW-PBOZNOTHSA-N 451.474 0.918 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc(C)c(C)[nH]c2=O)C3)c1 1798573712 GJJSTLOTOXSXQU-IZZQQSIFSA-N 451.483 0.784 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOC)C2 1799306936 RNSJVDLVDOWSGK-RMFSNUHRSA-N 456.536 0.155 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)NC(=O)OC(C)(C)C)c(O)n1 1799682317 YXYAESOWXYSWOY-QKSJRXBFSA-N 490.557 0.952 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)n(C)n2)C3)N(C(=O)OC(C)(C)C)C1 1801100253 HSCLNIVUWPFSLX-HIRMHNASSA-N 475.546 0.895 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1802126069 BFSZESONSKIHRP-OCVGTWLNSA-N 475.502 0.008 30 20 JCED C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C 1802160305 AFBDZMMPXIZBLK-FSIJUFHLSA-N 486.569 0.964 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1806859964 POYWDEBIJVAVPP-FDDCHVKYSA-N 469.519 0.822 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807738426 QDIIMULTSQSRAG-ZJSDXAAXSA-N 498.565 0.411 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1810249315 WWSRCDVYWMTAPL-AYBZRNKSSA-N 465.514 0.705 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810292541 XXPHODCJZHATEF-AJZKUROQSA-N 460.535 0.624 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810395212 QRYOEZHHIFXMRK-LBKXAWHRSA-N 455.515 0.951 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)CC#N)[C@H]1c1cccnc1 1814218656 UEJSVDYRSICFBL-BXWFABGCSA-N 458.519 0.770 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816673923 KBMKLWKZWKHMQI-ZJUUUORDSA-N 459.492 0.296 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817251514 MVGJCRUNAKECLU-DOTOQJQBSA-N 453.503 0.945 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1819361338 VXQQLIGIHUWTPV-IAGOWNOFSA-N 467.592 0.705 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)cn1 1822200601 MUHSCGVQQOMHLT-MRXNPFEDSA-N 459.484 0.743 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCN2C(=O)OCc1ccccc1 1829249128 PAMREJWXZHHXQM-DEOSSOPVSA-N 479.493 0.492 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)cnc1OC)CCO2 1829583320 QAMSBNHMTGMBEE-QATSOJGNSA-N 478.933 0.672 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1829758200 WUAHJEZVKPCEIZ-NDXPISSFSA-N 468.536 0.179 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3cccc(Cl)c3)C2)C1 1829765571 ZTMWBHSUDYSLRM-BPBNSMFFSA-N 476.961 0.655 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)s3)C2)C1 1829770420 OPFOEQJJQUANEV-LLHWWHOWSA-N 454.936 0.725 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)cc1 1829905776 LWBOJLDINFWOQO-DEOSSOPVSA-N 465.510 0.850 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(S(C)(=O)=O)c1)CCO2 1830176308 ARLBXUFEYGIAFG-XBKFQHLESA-N 491.566 0.019 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)CCO2 1830780056 YEINQDXJRKVRLZ-CVDCTZTESA-N 477.583 0.532 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2 1831136889 QKMFWCRLUSNYDV-QFIPXVFZSA-N 455.552 0.950 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1831386903 KPXVWBOANKZGLN-NIYFSFCBSA-N 497.548 0.558 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3C)OCCO4)C2)C1 1831393947 SLZKKEGWXMXJSD-KOSHJBKYSA-N 458.511 0.875 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1831397436 YEJPETRGUHGNFW-KUHUBIRLSA-N 458.437 0.547 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1831412335 LWHJJIKEVYFWSA-HSZRJFAPSA-N 464.607 0.206 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)c(O)n1 1832371104 ZCRRZNZSTLBCRL-DEOSSOPVSA-N 485.541 0.584 30 20 JCED COCCOCCOCCOCC(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833429162 BBIUYBGLLAOJPJ-UHFFFAOYSA-N 479.618 0.668 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)c(O)n1 1833698332 GJNDJAQBRGIDQB-DEOSSOPVSA-N 493.524 0.727 30 20 JCED Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1F 1833705334 DHXYIDGLNIJIFP-OVRHDEQLSA-N 450.515 0.409 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834679078 OHSDEQUBWDYUAY-IBGZPJMESA-N 493.653 0.901 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C2)C1 1835354008 JLLTXFCCGNFGJU-XMMPIXPASA-N 483.500 0.804 30 20 JCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cc5n(n4)CCCNC5=O)CC3)CC2)CC1 1835516491 TVYDEHAWSQAEEX-UHFFFAOYSA-N 453.547 0.506 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1835680808 OUXVYTBAMJQUBS-SFHVURJKSA-N 468.562 0.766 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)N4CCOCC4)CC3)CC2)c1 1835766715 NDOGBBDGYNFJBS-RUZDIDTESA-N 469.586 0.703 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836810336 STSMHAXIWYOFEJ-QFIPXVFZSA-N 455.519 0.310 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837443412 JLGDSDGXPSJQOS-MZUPDFTRSA-N 469.586 0.629 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837491635 RQSVPQAPBUJDDX-DEOSSOPVSA-N 467.526 0.498 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)N4CCN(C)CC4)C3)C2)c1 1838584805 HLNJZZOOCZDLBX-UQBPGWFLSA-N 485.585 0.273 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)NCc4ccccc4)C3)C2)c1 1838733029 KWMPGIMMLXJESY-ZHBSTKLQSA-N 477.521 0.829 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cccnc5nc4O)C3)C2)c1 1838740507 OUNLAYAYMMASTJ-QHCPKHFHSA-N 462.466 0.919 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838765433 GYSRUMDVHHGPBZ-FQEVSTJZSA-N 485.463 0.592 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)cc1OC)CCO2 1838878882 UGQDRFXEMBBLJU-WEHRJKGCSA-N 473.526 0.632 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)n1 1838907524 XGZZQJXJMWAZIK-VWLOTQADSA-N 479.537 0.929 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)c1=O 1839186784 OCSUATQIAMIKGW-XMMPIXPASA-N 468.485 0.709 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839222846 CNHZSGPWIGXDFR-BEFAXECRSA-N 452.468 0.049 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)cn1 1839224752 OFPDGUUWZDTFFU-OPAMFIHVSA-N 462.503 0.739 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839228675 LPCCCKQVWVBDMO-KCESLBEFSA-N 465.547 0.999 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401473 JSDMAJQHDMVFSL-SPLOXXLWSA-N 493.358 0.915 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839513090 WGQQZYJKVIBSTG-WAIKUNEKSA-N 454.483 0.444 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1)C(F)(F)F 1839892009 NBASUEHQHJHGIY-SFHVURJKSA-N 477.461 0.674 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840018284 DUZNSHGMXMNZTG-KEUIZBKNSA-N 499.630 0.643 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)C2)C1 1840155850 DQOCNILENZYTAK-YGKZAACZSA-N 499.630 0.930 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)n1cnnn1 1840478249 LEYFTMUPXPCINT-VLIAUNLRSA-N 459.894 0.529 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1840908834 IIIOVIDMIDTNME-FXKZBUDASA-N 465.547 0.130 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1840912765 PUBZEZSSBJONBG-UOKFIYJESA-N 495.573 0.865 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1844215561 SXLMYMDMEVQJND-OAHLLOKOSA-N 478.502 0.083 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 480314113 CSACNWKSDXUZDX-UHFFFAOYSA-N 485.566 0.570 30 20 JCED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCNC(=O)[C@H]1CC(=O)OC 512803273 UDYCCDODOGQYOX-CYBMUJFWSA-N 454.277 0.988 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccc(OC)cc3OC)c2=O)cn1 523581412 VOPKQSYGLJZCEN-UHFFFAOYSA-N 497.577 0.788 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)o3)c(=O)n2-c2ccc(OC)nc2)CC1 524023260 PPHOWDZKNIQGDA-UHFFFAOYSA-N 479.562 0.871 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCNS(C)(=O)=O 589161183 QLQYYQRCGAVYKU-UHFFFAOYSA-N 453.973 0.841 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C1CC1 590999550 NMNMJOVRYRUUKE-UHFFFAOYSA-N 460.506 0.474 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604120059 XLENTQRKJZUDMD-UHFFFAOYSA-N 477.608 0.768 30 20 JCED Cn1c(NC[C@H](O)COc2ccc(I)cc2)c(C#N)c(=O)n(C)c1=O 608973370 LVVYXVZYLMKWCF-NSHDSACASA-N 456.240 0.412 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)CC1 728686690 WEFQPCPIVCLJTE-QHCPKHFHSA-N 455.603 0.705 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-c3ccccc3)o2)c1=O 729670888 ABGWWUJVKOAIRZ-UHFFFAOYSA-N 483.571 0.996 30 20 JCED C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)c1 749507246 LROCWPKGKPDNHT-UHFFFAOYSA-N 455.492 0.852 30 20 JCED CN(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C1(C#N)CCCCC1 760735521 DJIOOKOVSIMLHP-UHFFFAOYSA-N 452.533 0.888 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cnn(-c2ccccc2)c1 831236790 BJQOVGPOYUTMTN-UHFFFAOYSA-N 467.507 0.813 30 20 JCED COCCCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 916874985 JKFMOIYOOABXHI-SFHVURJKSA-N 464.544 0.161 30 20 JCED CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)ccc21 917229887 PCUVIRRTNXAECI-UHFFFAOYSA-N 491.547 0.975 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 918299906 OKVMYLJXTKVNBO-PTGBLXJZSA-N 461.544 0.519 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)o1 919181900 NTULUHOLNAONOZ-PXNSSMCTSA-N 499.499 0.390 30 20 JCED CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1212420895 LDNKLUXBOOOCIR-UHFFFAOYSA-N 452.562 0.339 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CC(=O)NCC(F)F 1305123729 YKLRHAYGVAKNPY-KBPBESRZSA-N 461.477 0.540 30 20 JCED CCOC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314052684 KKGRBFVSXFMPJQ-MSOLQXFVSA-N 481.623 0.603 30 20 JCED CN(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1314660647 XHBHZWWLHGXSDX-QAPCUYQASA-N 455.560 0.537 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccccc2OCCN2CCOCC2)c1 1457579145 UORSBDQMKYSDRL-UHFFFAOYSA-N 458.540 0.864 30 20 JCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCN(CCC#N)CC2)c1OC 1587541856 KZYPYHKCKOELKV-UHFFFAOYSA-N 452.533 0.396 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(CCO)CCN3CCOCC3)CC2)cc1 1623369379 NFIHZMZKZWWQII-UHFFFAOYSA-N 450.561 0.112 30 20 JCED COCCN(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712419929 UNSSCWJEBWWLPE-IBGZPJMESA-N 467.578 0.791 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCCCC1 1723955038 VPNQIUIMKZBLQI-GOSISDBHSA-N 487.634 0.967 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC1CC1 1729409446 JOWRRQKQMZEXLU-IBGZPJMESA-N 487.586 0.645 30 20 JCED CC(=O)N1CCC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CC1 1760588898 YQLJGFLFLIZVPG-CRAIPNDOSA-N 467.596 0.608 30 20 JCED C[C@H]1C[C@@H](C)CN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)C1 1762729799 SLHKJBDXMFHYQO-XWTMOSNGSA-N 453.613 0.985 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1778979771 PUDSQCBBVUVXBW-DGGJZMOXSA-N 469.579 0.665 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)(C)O 1779021277 GGUPQFYJTLIXBO-KWAHZMDQSA-N 495.621 0.952 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C3)C2)c(C#N)c1 1779071314 FORKCMQRLUVQJA-URXFXBBRSA-N 487.509 0.434 30 20 JCED O=C(O)c1cnncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1779696038 QHCBUXVFTNCTOO-PNACRUJXSA-N 458.519 0.774 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1780168483 HVJRIPMYBVSPLA-NRFANRHFSA-N 454.443 0.815 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780332285 RQUVIEILMYJFRN-OAQYLSRUSA-N 457.512 0.583 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781335976 CUGNPEJQEAJELD-YVHKJVDXSA-N 455.552 0.683 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(I)c1)CCO2 1783562894 JVCSAXRICHUPLY-SFHVURJKSA-N 468.247 0.823 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783568194 QOXJNMDTIVRDOH-DHIUTWEWSA-N 463.531 0.942 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1 1784964721 ILGZAZVNDWMQEJ-GOYFQBHRSA-N 472.586 0.616 30 20 JCED COc1cc(/C=C/C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc(OC)c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c1ccc(S(C)(=O)=O)cn1)C2 1793348767 DZCNWFMYSKOMSQ-CWPLJXCYSA-N 451.545 0.671 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)c1cc2n(n1)CCNC2=O 1794972232 LRDWSDBQYHRHIS-SPFNZZPCSA-N 469.523 0.330 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccccc2)nc1 1795274822 WHEQZERMOLAXRN-OPMZPASUSA-N 453.520 0.740 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795352499 KNMSLOLQVKUGEF-YYIAUSFCSA-N 484.557 0.795 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795580958 IQSOVUCQSBFINI-DMUMMCEESA-N 490.605 0.113 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)c(Cl)c1 1795930249 WLVZWMXKUKCEML-IVWMJMPLSA-N 489.941 0.880 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(=C/c1ccco1)NC(C)=O)C2 1799306375 XAJSPTSUJGFKLC-QGEGXOHDSA-N 459.499 0.856 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)NC(=O)OC(C)(C)C)c1 1799682777 YOCOXGWPVVMWQP-YNVMFWSZSA-N 474.514 0.613 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1800806941 UGPDXRQWTWEINR-ZBLLQYKHSA-N 467.563 0.537 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@](C)(O)CC(=O)O)c(O)n1 1801005556 JGEGVHKAASFPLF-SYSSGKLFSA-N 461.515 0.725 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1802126941 DFCZFPBWSDMREM-CWQOZTLDSA-N 483.587 0.070 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1 1808362235 BAPUTZCOVAKMBD-YLRDJVGTSA-N 453.459 0.891 30 20 JCED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1)C(=O)O 1810356611 JZRHOHLULIMHLD-RWTSUUFSSA-N 461.519 0.679 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1CCN(C(=O)CC#N)[C@H]1c1cccnc1 1814218657 UEJSVDYRSICFBL-GJYPPUQNSA-N 458.519 0.770 30 20 JCED COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CNCP(=O)(O)O)sc3C2)c(C#N)c1 1814767614 DVUYWEXLYSEWFK-CQSZACIVSA-N 493.482 0.903 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)n[nH]1 1822700312 TUWVRVCISCFNOF-ZMYBRWDISA-N 455.519 0.911 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNCP(=O)(O)O)CC2 1822922678 YSFCUNPNPAZLRF-NSHDSACASA-N 460.449 0.289 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1ccc(F)c(C#N)c1)CC2)C(=O)C(=O)O 1824673849 QMXYLARPFYCFSC-ZDUSSCGKSA-N 473.486 0.852 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825324569 XVMMTAXEGLJEAG-GJBLVYBDSA-N 478.596 0.842 30 20 JCED CN[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1)C(=O)O 1828923032 MBDBYIOFJJHOGO-YADARESESA-N 485.541 0.805 30 20 JCED CNCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828989508 XGFXFZXTPNEYJC-DEOSSOPVSA-N 470.526 0.526 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1829334737 MDDJQGZAGBISBW-CYFREDJKSA-N 469.494 0.706 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829351263 JLXHFYWBJLDUAH-ZHRRBRCNSA-N 459.524 0.845 30 20 JCED COc1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1830236421 XOZWDELDLUAWJB-XMMPIXPASA-N 474.558 0.812 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1830462979 RSHRDAYFQSTHMB-OAQYLSRUSA-N 482.459 0.626 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=C[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 1831388552 ZIUMRZNBMMSLKL-ZDQHKECQSA-N 491.585 0.951 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1831401715 FTQBWWBWYDPATP-PZPWOCDFSA-N 484.475 0.638 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1831998314 MMWWGHHTWHUFAZ-SBUREZEXSA-N 477.562 0.960 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)c1 1833400540 YZVSNMVNGSAKKL-XMMPIXPASA-N 498.561 0.935 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)ccn4C)C3)C2)c(O)n1 1833700073 LSPUHQYNDGRKSB-VWLOTQADSA-N 482.537 0.988 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c(O)n1 1833700487 ZIKNXHMAYIKWCG-MWTRTKDXSA-N 458.515 0.112 30 20 JCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)[C@H]4CCc5nc(O)nc(O)c5C4)CC3)CC2)CC1 1833833642 WTANSDVKGWUOST-HNNXBMFYSA-N 468.558 0.868 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccon3)CCO2)C1 1834492871 SVQDLFYSXOIAIO-AOMKIAJQSA-N 462.503 0.661 30 20 JCED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)C(=O)O 1834739399 MHTPHWXFXGXEPK-IVLDLLIGSA-N 467.567 0.150 30 20 JCED COC1(CC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)CN(C(=O)OC(C)(C)C)C1 1834759911 BHLRVJUJGCURLB-QFIPXVFZSA-N 466.535 0.382 30 20 JCED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1835244767 ADJSMMFOSYEPTJ-OAQYLSRUSA-N 451.907 0.945 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1835675025 IQDZLSMAZKBWIU-QFIPXVFZSA-N 461.588 0.912 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)n1cccc1C=O 1835955547 KRVINVQEVDQQDY-XGKSKHPCSA-N 476.530 0.847 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3Cc4ccccc4C3=O)CCO2)C1 1836593738 NHSINKMKHKZMBX-UQBPGWFLSA-N 469.538 0.527 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836872018 QGCMZLRYUJEWNA-XMMPIXPASA-N 467.526 0.498 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837296331 CCMYMLVDLDGITK-KGFBWQSRSA-N 485.541 0.649 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1837396161 CPDFLSOTPPECTC-PGRDOPGGSA-N 450.536 0.173 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528635 LVQJJQBQIYIYIR-IYFPZQRTSA-N 495.602 0.937 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1838471038 HBLPDOITHGKTFP-HXUWFJFHSA-N 465.457 0.612 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838498976 KGFRRDDNOBVRTI-GHTZIAJQSA-N 461.544 0.114 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(Br)nc3)CCO2)C1 1839027806 VWHIJWCZWSMEMA-IERDGZPVSA-N 480.359 0.881 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839035866 IJBXHHDKMPVMGR-QMHKHESXSA-N 460.506 0.950 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1839130587 IWQUQIZBGFKBKI-NBGIEHNGSA-N 492.617 0.701 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc(C)s3)C2)C1 1839175812 HDUVFENROOQMNK-NRFANRHFSA-N 451.545 0.960 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n1 1839222961 GSQWJUBPYBHQOD-ZHRRBRCNSA-N 461.519 0.911 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)c1 1839452291 UBMQNDCMSJMRNM-HSZRJFAPSA-N 461.482 0.688 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839498729 OPIQUAFJQPXWFX-ALUBYUQESA-N 471.514 0.933 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839577431 QRHXESMRXJHWOP-QRQCRPRQSA-N 476.555 0.787 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1839808425 RDILWTPOWXFJPH-HYFFOGBASA-N 453.511 0.671 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864705 KTHBLIXCLUABJF-HXOBKFHXSA-N 482.578 0.568 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840008177 BFUIMUHICHMVTA-QHCPKHFHSA-N 478.546 0.785 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840045117 RPCLVCIJLFFZQA-KOSHJBKYSA-N 493.557 0.568 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)C2)C1 1840155847 DQOCNILENZYTAK-HKARXFIJSA-N 499.630 0.930 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1)c1ccc(O)cc1 1840220153 AFHRICOJLLNJKH-HYBUGGRVSA-N 492.594 0.780 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840712841 VJVQSMPZWGHOGW-YZZKKUAISA-N 492.598 0.711 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)cc1C#N 1840763341 XLTHGHZWZBGKKI-DEOSSOPVSA-N 484.557 0.255 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1840819218 WNHFAUFTDYVQRI-VWNXMTODSA-N 465.510 0.488 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCNC(=O)OC(C)(C)C)CCO2)C1 1840905409 HSMJGHCIOVSLEQ-MBSDFSHPSA-N 467.563 0.786 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)on3)C2)C1 1840906449 BXNPMTQCFINZGT-HXOBKFHXSA-N 476.530 0.970 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840909083 MIIMIWYBWPVCAK-SBUREZEXSA-N 489.529 0.169 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1841055331 UXFAWMAAAIUPLZ-XITLMJRVSA-N 450.536 0.324 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CSC(=N)N)C1 1842865508 BRQJZDQXJHELMM-AWEZNQCLSA-N 498.606 0.622 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCCC12CN(C(=O)C(C)(C)C#N)C2 1842872306 PBXAZPNMNALQTQ-OAHLLOKOSA-N 463.583 0.896 30 20 JCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C1 1842872724 AHOBLQOJEWYGTH-UONOGXRCSA-N 456.613 0.665 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 11674827 BGGALLOURQFYIA-QHCPKHFHSA-N 490.582 0.960 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(S(C)(=O)=O)CC3)nnc12 18260928 BTFDQXHUBPVAPQ-UHFFFAOYSA-N 462.557 0.426 30 20 JCED C=CCN(C(=O)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 509794017 OXEFNGGXAPQHHG-OAHLLOKOSA-N 460.574 0.964 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1ccccc1C#N 515662889 OCBZPOLJIAONCZ-UHFFFAOYSA-N 492.513 0.724 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccc(F)c3)CC2)cc1 578492516 YSVBMFLOPKXYEY-UHFFFAOYSA-N 466.516 0.509 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 603794268 CJNOTGOLCCBPNJ-UHFFFAOYSA-N 473.551 0.707 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(SC)cc3)c(=O)n2CC(=O)N(C)C)CC1 604270042 NLCMBOOSKHSASF-UHFFFAOYSA-N 499.662 0.387 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1ccccn1 726182428 TWRLXDJMSAJARR-UHFFFAOYSA-N 494.621 0.944 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)N3CCCc4ccccc43)CC2)c1=O 731354055 DZFSONBLXPTROS-UHFFFAOYSA-N 480.569 0.098 30 20 JCED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 733721114 YUUBJXOVRUDWEU-CALCHBBNSA-N 461.588 0.374 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1CCOC 818224688 HQPMSGSKDJNZFR-UHFFFAOYSA-N 452.536 0.760 30 20 JCED Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1)c(=O)n2C 825375726 RVHOZLSNOMONFL-UHFFFAOYSA-N 458.862 0.577 30 20 JCED CN(C)c1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 915487861 IQNWVYDZDZOHNZ-UHFFFAOYSA-N 457.512 0.709 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 916676833 VQNPMJHGKOPVAM-UHFFFAOYSA-N 462.553 0.276 30 20 JCED N#Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1C(F)(F)F 1186223044 XBUTUMYJHULMGW-LSDHHAIUSA-N 453.464 0.353 30 20 JCED CCCNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1294863379 MOGJKWUIINXTPF-QGZVFWFLSA-N 480.577 0.694 30 20 JCED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 1307539778 TVTLYWIJGCHWMB-SFHVURJKSA-N 453.547 0.708 30 20 JCED Cc1nc(CN2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2)no1 1464850902 ZATRQOUWPMNVIX-UHFFFAOYSA-N 458.544 0.995 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1555990933 NPSKFXMHAVILLY-KRWDZBQOSA-N 479.584 0.788 30 20 JCED COCCN(CCC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1611508976 KMMJYVVWBGXIDF-UHFFFAOYSA-N 454.524 0.827 30 20 JCED CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1616644774 KYUHJCPHKUYULU-AWEZNQCLSA-N 452.533 0.867 30 20 JCED CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)c1=O 1710193598 UWBBXXCUCBAPFE-GOSISDBHSA-N 489.602 0.971 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCO1 1722842632 LROKHPVARFNCJX-GOSISDBHSA-N 461.548 0.049 30 20 JCED CC[S@@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1729246534 SLLABCZMWWXTKL-WTPASJBYSA-N 480.616 0.888 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCO1 1731191102 YYMQDYLSBYXTCX-RRFJBIMHSA-N 462.498 0.793 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccccc2F)C1 1750211603 PCNJWSSMTGQULW-AEFFLSMTSA-N 464.523 0.722 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)c(OC)c1 1768531145 KOUTZFLYTJJZRN-INIZCTEOSA-N 456.503 0.973 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779545036 OMRMTEXALAIJCO-LKFCYVNXSA-N 450.302 0.776 30 20 JCED O=C(O)c1cnncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779696297 YQAYNYMRPBHJFT-RQKQPHGBSA-N 475.502 0.831 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1779984553 UGCYSGCQEXNORR-HSZRJFAPSA-N 463.450 0.029 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)ccc1F 1780756729 QVOWFQGUTJNTGG-NTKDMRAZSA-N 493.499 0.799 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)Cc5ccc(F)c(C#N)c5)C4)C3)CC2)CC1 1781299122 DEHGSLNFPVVYAA-XMMPIXPASA-N 469.561 0.850 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781561032 VNXIVEAJFDEQHJ-AQOAWAETSA-N 462.503 0.862 30 20 JCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3C(=O)N(Cc3cccs3)CC4)C2)C1 1782553467 LDSUFHBUINOFQZ-QFIPXVFZSA-N 468.539 0.958 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1783397494 AJJWTYWCLYBFKL-VSDLEHRUSA-N 454.524 0.870 30 20 JCED COc1ccc([C@H](O)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)cc1 1783770852 UWZUBVAEDLVAKD-VMXMFDLUSA-N 458.559 0.990 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NC(C)=O)[C@H]2C1 1784530337 QEHLXEHVHVQNPT-OKYOBFRVSA-N 478.590 0.797 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)c3cccn3C)C2)C1 1784615396 AGMXKMGCSYQPNJ-BXKMTCNYSA-N 472.542 0.954 30 20 JCED C[C@@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1)C(F)(F)F 1784912028 FORWXKABWKPSIZ-DWURIKNASA-N 468.322 0.635 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccc(N(C)C)c3)[C@H]2C1 1785058691 JZMBSHODWYUHKA-MULLQVGPSA-N 470.570 0.970 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1785598235 NLQOCVUPYYXAQS-UZPHGZDFSA-N 495.573 0.902 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3C2)c(C(F)(F)F)n1 1786888448 OIWUPPNQQNVRND-KSYCFECVSA-N 482.463 0.158 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc(F)c(C#N)c4)C[C@@H]32)CC1 1788194724 HGIUKHOVQPCMQX-VCOUNFBDSA-N 457.550 0.467 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C[C@@H]21 1788573401 WPPLTWLKAPWMBG-CADBVGFASA-N 460.575 0.840 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1789952302 AMIUFTZIEONYDY-TXTZMMAHSA-N 470.567 0.653 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)N4CCOCC4)C[C@@H]32)c(Cl)c1 1790230807 CQJIXNOYMKEPLA-HRDWYUFVSA-N 462.934 0.456 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790857323 TZRCQSMSLIMLFC-ATIWLJMLSA-N 464.563 0.572 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793053277 VEQFWVJRUCLUSE-CVFMPKEZSA-N 484.553 0.992 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3CC3)CC2)CC1 1793258588 OZHJGGXRYCNJBA-BRTYFSMRSA-N 470.614 0.712 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420611 MZCLYFQUEWGLPN-KWXDATOUSA-N 492.573 0.926 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN)Cc1ccc(C#N)cc1 1795523689 REAWGOOOZZNVNS-VLVHOKLOSA-N 485.585 0.932 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1795894870 AMLDYKRHVXYBSJ-FLQYYVGBSA-N 483.565 0.998 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC[C@H](N)C(N)=O)CC1 1796085839 RLHKCAJXXUSFID-MHORFTMASA-N 490.605 0.758 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)c1cc2n(n1)CCCNC2=O 1797323451 XWOOLCHQRWSEJB-RXQJWBBVSA-N 483.550 0.720 30 20 JCED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)nn1-c1ccccc1F 1800776012 NYBDFQOEJWKQGK-GFENJXEQSA-N 456.430 0.311 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnc[nH]1)C2 1802127258 SQKAZWAHMZRUMG-WEZCOFHWSA-N 457.531 0.929 30 20 JCED CS(=O)(=O)c1cncc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1 1804890601 OWZRTLLCHSGQNI-FOIQADDNSA-N 456.480 0.288 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CNC(N)=O)[C@H]2c2cccnc2)c(C#N)c1 1808176373 GTFKVXWVVDBLEV-JTSKRJEESA-N 450.499 0.879 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808356264 XFKAWDLWTYJLSG-FUHIMQAGSA-N 474.514 0.715 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@H](C)NC(=O)c2cnccn2)[C@@H]1c1cccnc1 1810437488 UVMOYYGZHGNSMA-NZGUISNBSA-N 464.526 0.734 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)nc1 1812875760 ZOBYLQQIJOPEHG-FOIQADDNSA-N 456.480 0.288 30 20 JCED C[C@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824807981 HNCJPWWIZBZCPI-XRRVDJEJSA-N 483.641 0.554 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCN(C)CC3)cc1)CCO2 1829697133 ZYDUYBBANDAHBD-VWLOTQADSA-N 454.571 0.922 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4ccc(OC)nc34)C2)C1 1829768974 LUJKRIPZVNFHKY-RULWIFSWSA-N 483.525 0.500 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)cc1 1829944695 KYBYAOBHGNHFDZ-YKSBVNFPSA-N 454.527 0.473 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)C1 1830716108 UYUAQRDQGQLJDF-DIMURADMSA-N 481.546 0.561 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)[C@H](F)C1 1831135657 IJGZWQPUXVLVAJ-QZMQVMSPSA-N 497.520 0.126 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1831420551 XNAKETLIGJVSKZ-YADARESESA-N 459.543 0.806 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1831420579 YKUUSNXONOMHAW-QVKFZJNVSA-N 463.560 0.689 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831445182 WBTAGCHTNLYCDL-JFOGYLRVSA-N 453.517 0.061 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)no1 1831493837 UYUKIGGMJIAQJV-FXAWDEMLSA-N 454.549 0.124 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1833076605 BEXDUFXJKAOGOZ-ARJAWSKDSA-N 473.496 0.095 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(Cl)c1)CCO2 1833575299 YMQOQLFZFQTVTA-VKUXZERMSA-N 464.906 0.369 30 20 JCED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)ccc1F 1833766576 QPIYJOQZJHDZGG-FQEVSTJZSA-N 484.532 0.410 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cncn2C)CCO3)c(C#N)c1 1834328909 VPCDYEIFODWVPD-HSZRJFAPSA-N 453.499 0.613 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CCOC1 1834765620 IPRCFASPOQVSPL-RTWAWAEBSA-N 452.508 0.040 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)ccc12 1834912976 RHAMCRUEZQZXKP-UHFFFAOYSA-N 495.536 0.784 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1835354817 DZKRBPQFLJWZSC-QHCPKHFHSA-N 454.483 0.433 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC2CCN(C3CCN(C(=O)CCC#N)CC3)CC2)CC1 1835440221 NZRNPBIKWNLAHW-UHFFFAOYSA-N 453.609 0.533 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1835674826 FYIRPHKGQAMFCR-YZZKKUAISA-N 464.563 0.314 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)NCCC#N)CCO2)C1 1835680921 PAYMFRCENHJZBW-QHCPKHFHSA-N 481.594 0.638 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)n3nc(C)ccc3=O)CC2)CC1 1835812403 DIOWBFSULJUBOZ-LJQANCHMSA-N 471.602 0.897 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(-n4cccn4)nc3)CC2)CC1 1835980803 OODQCRDHJIWAJC-UHFFFAOYSA-N 450.499 0.541 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1836000896 NREPPDKTDZKDNL-DEOSSOPVSA-N 466.494 0.255 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837527754 VMPYAULVENPCBU-JGOZPJNCSA-N 453.492 0.091 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837528296 FIAVPZCXMYJRRZ-LDVHSUHUSA-N 490.513 0.467 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(=O)Nc2cccnc2)CCO3)cc1 1837626165 ACEOCVMKWUEMRY-RUZDIDTESA-N 477.521 0.981 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)c4ccco4)C3)C2)c1 1838578708 NKFUQPPOQAWADT-NZQKXSOJSA-N 455.467 0.963 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839130995 HBNDPGLCQRJSFM-QPPBQGQZSA-N 472.542 0.480 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)N4CCCC4)C3)C2)c(C#N)c1 1839131383 FDJFNGMXCMASQJ-AREMUKBSSA-N 498.580 0.968 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1839175513 NSDSHUMGMIGVQZ-KHCICDEESA-N 477.558 0.353 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)Cc5cncnc5)C4)C3)c2c1 1839487315 AVZCLBAJFQUEPZ-QHCPKHFHSA-N 461.482 0.537 30 20 JCED CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042028 WAOJNSOKILUYJG-UUOWRZLLSA-N 495.573 0.860 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c1 1840264773 PXBUGTMRMNMKHB-OSPHWJPCSA-N 466.494 0.309 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840805722 CLRNREPWFLMXDL-HSZRJFAPSA-N 460.531 0.482 30 20 JCED CC(C)n1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840819344 GHYWKLSQOBNGOU-QHCPKHFHSA-N 468.514 0.880 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1840908972 TZEBCXWUHUHPNI-FJPNIYADSA-N 477.558 0.252 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1841612717 NGZUAGJOAGPGDD-KRWDZBQOSA-N 464.563 0.860 30 20 JCED Cn1nc2c(c1C(=O)N1CCCC13CN(C(=O)C#CC(=O)O)C3)CN(C(=O)OC(C)(C)C)CC2 1845708824 RJWQPBIZWYBJJN-UHFFFAOYSA-N 471.514 0.618 30 20 JCED CC(=O)NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196792 PRRLFTIBTMFQLP-HXUWFJFHSA-N 482.537 0.383 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3Br)c(=O)n2C)CC1 489195975 LYCAYECAUOANHX-UHFFFAOYSA-N 461.385 0.876 30 20 JCED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCCO2 497551506 JEWGAGCRRUQMCE-MRXNPFEDSA-N 496.570 0.925 30 20 JCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 514480326 RAFOVLATJGINHJ-HZPDHXFCSA-N 479.559 0.394 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 514923419 KTJBMAAQSFLRCB-UHFFFAOYSA-N 457.512 0.746 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1 522524056 VWRDZCSKHYHUQY-HSZRJFAPSA-N 499.549 0.803 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCNS(C)(=O)=O 524281476 ZMOXFFHEOYVDSO-UHFFFAOYSA-N 484.962 0.057 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCNS(C)(=O)=O 524574286 IBXFRYCOQRJJFI-UHFFFAOYSA-N 462.597 0.105 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1OC 608910812 OLEAETXANCVJMN-UHFFFAOYSA-N 488.566 0.086 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O 608911366 BRVZRWSJALEYFV-UHFFFAOYSA-N 463.357 0.577 30 20 JCED COCCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403505 KMIOOAHCKCCHLJ-XOMICKMZSA-N 454.574 0.839 30 20 JCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 728720641 MGJBHTPGWWGWCV-DOMZBBRYSA-N 476.349 0.640 30 20 JCED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)cn3)CC2)c1 730892006 CMVANAHMCZALEM-UHFFFAOYSA-N 474.495 0.660 30 20 JCED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 913243595 YASPYKAZYHAVDP-PKOBYXMFSA-N 471.557 0.098 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1 918656793 IMFKJCJUBOLGRY-NKFKGCMQSA-N 482.588 0.930 30 20 JCED COC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)OC 1301025849 JVXKRAFDZJDGOS-FRQCXROJSA-N 456.569 0.402 30 20 JCED CN(C)Cc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1314667788 SYECNPKJXRZDLQ-WOJBJXKFSA-N 489.602 0.450 30 20 JCED COC[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555236527 CNSDGCGSXZBOJW-NJAFHUGGSA-N 467.596 0.070 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1593887170 XIVDGODWLRWZSM-MRXNPFEDSA-N 457.000 0.677 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCOCC2)CC1 1611772133 LWIDEHQXVQRCQC-GOSISDBHSA-N 495.650 0.852 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1625790899 VCLHOXWCESEZKA-USXIJHARSA-N 455.558 0.420 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1692854578 RYSRXSYWFAJEPG-FRQCXROJSA-N 486.620 0.176 30 20 JCED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 1696877292 QCEMGZSOATVZJO-JOCHJYFZSA-N 473.603 0.649 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1706622673 VGPKKGHCKQGMKS-IAGOWNOFSA-N 464.596 0.017 30 20 JCED CCCN(CC)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1709719412 UEPOSXDQKBYDJQ-UXHICEINSA-N 494.666 0.519 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC2CC2)CC1 1724009537 DFVJCGUDKSXMST-MRXNPFEDSA-N 465.580 0.267 30 20 JCED CS(=O)(=O)c1ccc(OCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1750192563 ZEQXDUAJFJUIJV-QGZVFWFLSA-N 474.543 0.612 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1778086343 FOVXBFOKXVKUPU-HKARXFIJSA-N 462.547 0.738 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1779039535 BSVJMPZGTPYYJJ-SGSXCFNPSA-N 450.586 0.801 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)C/N=C/c5ccco5)C4)C3)cc2C1 1779138824 CBSYVCGAZAGNDS-HPTBBYBNSA-N 454.531 0.874 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc(C#N)c4Cl)C3)C2)CC1 1780190964 SLOGWLBFLMKLJS-QHCPKHFHSA-N 473.961 0.819 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c(C(F)(F)F)n1 1780246828 XDXQWUNGGUDHJO-LJQANCHMSA-N 462.388 0.813 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(N5CCOCC5)n4)CCO3)C2)c1 1780335228 UVCJDFUYEYJIND-QHCPKHFHSA-N 450.499 0.875 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(F)c(C#N)c2)C1 1780756025 ZNVUUPIEDVHWAU-KKLQWCBXSA-N 476.505 0.818 30 20 JCED CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781147769 JCWCKGCOHCHVCY-XMSQKQJNSA-N 458.471 0.876 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1781270929 PLFBBODEGUNVJC-LJQANCHMSA-N 455.558 0.186 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1781391663 UJAPHHHUNVDTLB-HOYKHHGWSA-N 486.573 0.652 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1782664833 RCOWPZXDEIFVNA-MHECFPHRSA-N 487.557 0.639 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1783531381 NNBJCOKKLJGZBQ-CXLTZZKYSA-N 452.515 0.110 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)C[C@H]2C1 1783564666 BJMBFFZXUSYEHN-FNVCAUGXSA-N 461.515 0.551 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)CCO2)C1 1783896528 ASFMMAGGCWRYFI-UQFYIQBQSA-N 469.604 0.893 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1783917665 XVEKLPQYVYPXKK-MDKPJZGXSA-N 481.940 0.925 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784596735 DFNOSEHOTUPXOK-FPGHNAPASA-N 497.556 0.935 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)ncn4)[C@H]3C2)c(C#N)c1 1784668758 FUJJKIMVMZYTSQ-QSFXBCCZSA-N 451.483 0.898 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@H]4NC(=O)NC4=O)[C@H]3C2)cc1 1785150085 XUVFDFZXQSATFV-OKYOBFRVSA-N 453.499 0.069 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785383581 UKLFWCSWLIZCFY-AVRWGWEMSA-N 477.521 0.980 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21 1788653238 YOEMFYMTRSOOHD-ZCLJJCKZSA-N 483.415 0.850 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)C1 1789808404 COSMOJRCUIJKCY-CAVMOMJPSA-N 487.557 0.707 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C(F)(F)C1 1789949750 JGTHLGGPWZYWRA-QAETUUGQSA-N 499.511 0.946 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(=O)n5O)C[C@@H]43)c2c1 1790328796 UGGIWOXOXTWDRV-QOKNQOGYSA-N 462.466 0.741 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C[C@@H]21 1790793778 VORWDPSIQKNWOT-HVAMYJMISA-N 455.511 0.371 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791266085 ZZEIOGCYBFVNDE-CWVYHPPDSA-N 473.592 0.741 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792147375 PJNYERANMYNVBM-CAIZAGQASA-N 457.531 0.624 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1792795680 YZHZTPYKVNWYRQ-RDJCYWLUSA-N 456.565 0.152 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1793340354 TTYLMGKKEQWNEJ-RFXPCRSYSA-N 463.531 0.193 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)C2 1793346955 SOXKZQSDIKFWFH-LVEJAMMSSA-N 463.531 0.540 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](CCN(C)C)(Cc1ccccc1)C(=O)O)C2 1793347224 ABJAKMGUXVUTBX-FEVNXLGXSA-N 499.608 0.880 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1793665011 FTJFJLDQXUSETO-AKHDSKFASA-N 479.574 0.376 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)c2ccccc2C1=O 1793860749 VSQUZXXQMYUOMB-PZTGFMGMSA-N 453.495 0.301 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2)[C@@H]1SC(=N)NC1=O 1796421864 IJCFTOSJWKKVMG-ZZPMGOEYSA-N 469.567 0.883 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)c1 1797103708 QWIDVNXZKXGPRW-XEMDLRDOSA-N 483.488 0.959 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C2CCN(C(C)=O)CC2)CC1 1797280422 AQTLULXXZLBIQI-IVDSKFSHSA-N 488.629 0.337 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)[C@H](O)C1 1797309544 DNBAVBVGZNIKKL-PZPPHJHLSA-N 450.536 0.498 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1797811555 AWSPOHYIVIBDLM-BNOGRQSXSA-N 456.499 0.662 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)C=C 1797945965 CLWAVGOFXXMVKE-GQUPQBGVSA-N 490.601 0.964 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)cn1 1798694024 SBIDJTKZTIUQPQ-HGKCTWBKSA-N 457.512 0.343 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(C)C1 1799120757 PATOMJRSDHWJTO-OUUBHVDSSA-N 462.591 0.834 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799180738 JCRZSILIYKYVSZ-CRSSMBPESA-N 493.649 0.681 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1ccccc1 1799235216 FXGSYIKHHAMXII-VQQMMKBISA-N 485.537 0.973 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1799304366 ICUAXCPIKDWGEJ-AXVVYFOYSA-N 483.562 0.361 30 20 JCED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)C3)cc1 1799641148 PILUFJBZRAIJOZ-UGNRZPKXSA-N 477.521 0.962 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1800989459 JEAQYJZVHDLPCR-QMHWVQJVSA-N 487.623 0.236 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSC(=N)N)C3)N(C(=O)OC(C)(C)C)C1 1801104050 WQXIFBBPXPNVED-IVSAIRAKSA-N 467.592 0.768 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2)NC(=O)OC(C)(C)C 1801931281 BNBCYGTUZQENLF-LMCLKVLCSA-N 498.577 0.500 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2)NC(=O)OC(C)(C)C 1801931726 YWYVUFHOVRMLRY-KYHREEPGSA-N 496.605 0.587 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1802892948 IPLWXONALUMSFN-XHBDVGQISA-N 478.505 0.355 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1804428666 KSCBQJMZGILNMO-KSWRQPAISA-N 450.536 0.432 30 20 JCED COc1ccc(CC(=O)N2CCC3(CCCN(C(=O)CN4CC(=O)NC4=O)C3)CC2)c(C#N)c1 1806695777 GFCXMPUIEVLLDZ-UHFFFAOYSA-N 467.526 0.892 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1806695917 YRCLPGANDLWGGS-MBSDFSHPSA-N 469.519 0.958 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCN2CCN(C)CC2)[C@H]1c1cccnc1 1806912677 QVGWLAAPQIKKGF-BYGXPYSHSA-N 468.602 0.583 30 20 JCED C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1807017811 HSQCSOIRPIZQHG-NSHGMRRFSA-N 485.589 0.877 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1810360714 RDLDNHHDWUFKRY-PYDPQLKOSA-N 472.502 0.215 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)[C@@H]1c1cccnc1 1812874097 HSIJOLNABZCAGB-YZZKKUAISA-N 452.511 0.967 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812880652 RYNZSFDTDQMZFY-DBADBBAGSA-N 450.451 0.946 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)C#N)n[nH]2)n(C)c1=O 1814566038 LWXZZFBSOPSCBM-AWEZNQCLSA-N 481.517 0.399 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819901043 AZSSEMSLNXKHSO-NGGQUBSISA-N 469.520 0.649 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)n[nH]1 1822700308 TUWVRVCISCFNOF-KYNGSXCRSA-N 455.519 0.911 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829120974 JWKMFYYQAMIVBD-BVZFJXPGSA-N 497.552 0.906 30 20 JCED Cn1cncc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332242 FRWXEFDLPRGNLR-DEOSSOPVSA-N 479.493 0.574 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1829332797 ZVPGLQXCQBYVPZ-VWLOTQADSA-N 495.488 0.926 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829351262 JLXHFYWBJLDUAH-OPAMFIHVSA-N 459.524 0.845 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2 1829635808 QFGKTLJUCUAYQJ-FTCDTSOASA-N 454.527 0.987 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)C3)C2)C1 1829668616 XHQFRYRPRHLEDB-XMMPIXPASA-N 478.509 0.607 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1829771530 UOMYWQBJWSWFMS-HTEBCRKTSA-N 454.527 0.338 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1c[nH]c3ncc(Br)cc13)CCO2 1829845543 CFPHGYLBEAIJQT-FQEVSTJZSA-N 461.316 0.958 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1OC)CCO2 1830224415 JQYSECQGJQSQMS-XXXZYALBSA-N 473.526 0.389 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832005485 KQWOXFJKYIVGML-WHSLLNHNSA-N 473.592 0.397 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832201891 NYOGXEQYRPTPMQ-QHCPKHFHSA-N 469.546 0.170 30 20 JCED CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)CCC1=O 1833689028 UPSGZQJZWKRWBQ-UHFFFAOYSA-N 459.595 0.448 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834330045 AZRPESVGVVLQTM-HXOBKFHXSA-N 475.546 0.407 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1835102673 VJIZKYMZCDZHOM-VWLOTQADSA-N 494.573 0.400 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1835110859 ZCPWUYKVIHSTJO-IIDMSEBBSA-N 465.620 0.952 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835290359 WFHNAIUBUAMCDE-FICMBQOISA-N 461.515 0.705 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)CC2)ncn1 1835338778 SPJDYHSSRNYPTB-DEOSSOPVSA-N 484.557 0.462 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC(=O)N(Cc5cccs5)C4)C3)C2)CC1 1835340996 MEYUVTFPWVLLBQ-HXOBKFHXSA-N 472.567 0.857 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835716113 XJHJRNSUCXDGIH-FQEVSTJZSA-N 484.663 0.557 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835874387 YMIZSDPPNRXPOO-SZNDQCEHSA-N 459.528 0.382 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836336163 ASDOSQOCKNQBAM-MRXNPFEDSA-N 472.517 0.604 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837528656 MKSKBUXHKIDFIB-GXGYHVFSSA-N 472.502 0.557 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1837531681 SWECXGBTNJVOMR-NWKSEYAWSA-N 450.467 0.820 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562610 OEVJWBGULZBDGS-KKBJYUDOSA-N 461.544 0.181 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837701576 SEXMRINJPXHJBX-BXKMTCNYSA-N 470.526 0.256 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838031099 XWYUOHIKMUZMMB-HZQHCPKGSA-N 453.446 0.207 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838386262 IWJCGZAQHLLKDZ-PZJWPPBQSA-N 453.580 0.209 30 20 JCED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)[C@H](O)N4CCOCC4)CC3)CC2)ccc1F 1838405227 ZSFNZHWUPWNCDQ-VWLOTQADSA-N 488.560 0.889 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1839173201 DYAUZMHWYVPGJR-XWEVFREBSA-N 452.548 0.751 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1839173689 GAJHWBJKVZNBCR-QHCPKHFHSA-N 456.499 0.914 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839203676 RTFYHDAAIZWPBM-HYFFOGBASA-N 489.635 0.673 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839209072 MSRFODKMUAOAFW-IEGUWTFLSA-N 485.578 0.310 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1839225265 DKGAHVCGJMVDBC-MWTRTKDXSA-N 474.514 0.888 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1839225954 ZPEOSODWJTYBOA-AOMKIAJQSA-N 491.570 0.935 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)cc(C(F)(F)F)c1 1839443093 VQMSPLCSFAEJMJ-OXJNMPFZSA-N 482.415 0.755 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044916 GYYHHSZENJNCML-MHECFPHRSA-N 493.557 0.568 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1840073094 IMKAWSOSUQADHK-NTUVXCKYSA-N 479.574 0.617 30 20 JCED COc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)ccc1[N+](=O)[O-] 1840163728 XQNGIAGEKCOGLH-XOBRGWDASA-N 453.517 0.921 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)n1cncn1 1840417349 OXEXNUZOWXEYOI-VLIAUNLRSA-N 493.446 0.895 30 20 JCED CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2 1840763874 VNLNPRMXPMBNLM-HSZRJFAPSA-N 458.515 0.552 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CCO2 1840775781 FEGGDKVRSVREIW-QHCPKHFHSA-N 493.582 0.354 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1)NC(=O)OC(C)(C)C 1840795973 MDEQWXMXDAJQTG-SAHWJRBASA-N 496.561 0.411 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1)NC(=O)OC(C)(C)C 1840796179 YJZQKZZPCSFXIY-ZHRRBRCNSA-N 478.550 0.734 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(C(=O)OCC)CC1)CCO2 1840815961 LXESZHAZTIPQII-VRWDYKOXSA-N 492.573 0.170 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1847081027 CVJQKSLHTSCNAC-XDEPDNQISA-N 461.519 0.257 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)C1=O 504679584 BDGOVZIZSMAZGM-UHFFFAOYSA-N 476.555 0.794 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(NC(C)=O)cc3)c2=O)cn1 522388732 UOHUNVDEROBUKT-UHFFFAOYSA-N 492.561 0.436 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1 522524057 VWRDZCSKHYHUQY-QHCPKHFHSA-N 499.549 0.803 30 20 JCED Cn1c(=O)nc(O)c2c(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc(C3CC3)nc21 603507925 LIRUDZFATVQNPS-UHFFFAOYSA-N 494.533 0.930 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1-c1ccc(C(N)=O)cc1 608828474 WFONEPMSKNCFDN-UHFFFAOYSA-N 490.541 0.820 30 20 JCED N#CCCn1cc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 608961714 ANHTYNTXMKAPFL-UHFFFAOYSA-N 464.446 0.343 30 20 JCED Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)NCC#N 609091717 SYQXZXXRPJEALD-UHFFFAOYSA-N 491.595 0.985 30 20 JCED COCCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)cc2S1(=O)=O 750415758 CREIJUWHNXZNNU-UHFFFAOYSA-N 463.493 0.609 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 913300704 UMMHMXMBPORYPY-HOCLYGCPSA-N 471.557 0.194 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)o1 915379675 LNVIDTPNHJFSFY-UHFFFAOYSA-N 473.511 0.900 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCOC 916198533 NIBYJAPIFZXUQF-UHFFFAOYSA-N 466.357 0.584 30 20 JCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 916923876 OLIHKGUEWVUOET-KUVPCWQVSA-N 451.479 0.878 30 20 JCED COc1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c(C(=O)N(C)C)cc1OC 918319337 LHABBXRSMUGZEB-UHFFFAOYSA-N 466.498 0.960 30 20 JCED C=C(Br)Cn1c(CC2CC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286544517 XNKGVOIARGMITK-UHFFFAOYSA-N 465.356 0.606 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1286892144 SIHHGAYWMWFXLG-UHFFFAOYSA-N 480.573 0.452 30 20 JCED CN(C)C(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1298002440 WRIFYYDDEXGIST-GOSISDBHSA-N 486.602 0.460 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(F)cc2)C1 1302485518 SBPWASYQBLGLLF-ROUUACIJSA-N 464.523 0.722 30 20 JCED CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1314833640 PZRVSBBLTHWINX-NRFANRHFSA-N 453.528 0.835 30 20 JCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)C2=O)cc1 1478569278 VYVVCFKJEPBJCJ-FCHUYYIVSA-N 454.575 0.755 30 20 JCED CS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519528304 JRIWVEIWCVFUIK-UHFFFAOYSA-N 452.544 0.902 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 1557880415 AJLOCVLWKRSJMO-GDBMZVCRSA-N 452.533 0.977 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 1633222030 ZJWOOHDKLLKKTP-INIZCTEOSA-N 457.556 0.833 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](c1ccco1)N(C)C 1706887787 REYIWFUKCBJFCM-CGTJXYLNSA-N 476.607 0.961 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1729222608 QQNYZTUSESUDFD-QGZVFWFLSA-N 461.592 0.913 30 20 JCED CC(=O)N1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CC1 1741023575 UHPLTNDLYWZTJX-FQEVSTJZSA-N 493.634 1.000 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN(C)S(=O)(=O)CC)CCOC1 1767482660 KUSUZPGKSBSPCQ-APWZRJJASA-N 456.569 0.331 30 20 JCED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1771353877 YSKBONYHXVYLSR-UHFFFAOYSA-N 485.614 0.996 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)CC1 1778352549 SERPUFGYUOBXJV-RUZDIDTESA-N 467.570 0.485 30 20 JCED C[C@@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1779500030 VUAKLDYSMKMLCN-UWSQDDABSA-N 462.551 0.957 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780923153 QZJMCLNOTOONSJ-NPMXOYFQSA-N 474.583 0.883 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(n1)NC(=O)CC3)CCO2 1781267955 CEVVQIJEOVHCDU-QHCPKHFHSA-N 456.499 0.919 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783151010 JXZUDPIAVNPHRI-SBUREZEXSA-N 464.563 0.779 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1783546352 XJGGHUPXBAMXMU-DFMTZNLUSA-N 491.585 0.879 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCO[C@]4(CCN(C(=O)[C@@H](C)S)C4)C3)CC2)CC1 1783894030 PHNRVWSNWQTLHD-HXOBKFHXSA-N 466.648 0.858 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN)C[C@@H]21 1784269771 FWWPQOTUBVZJEW-TUFLPTIASA-N 485.585 0.932 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C[C@@H]21 1784483370 TWYWFNADJBHKCA-VMXHOPILSA-N 495.573 0.461 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1)c1ccc(O)cc1 1784952743 BFDZZTUAGLHERT-ZFMNYDKASA-N 482.537 0.421 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)n4[nH]nnc4n2)CCO3)cc1C#N 1785195935 HIBJZQZLLDICLN-QHCPKHFHSA-N 492.496 0.229 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785379550 KTTZQARONXTZLQ-WMZHIEFXSA-N 474.514 0.610 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1785573204 SPABFJYBJDNISX-WNSKOXEYSA-N 487.513 0.535 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1785576481 DMJSRXXEHMCMNC-LHSJRXKWSA-N 476.490 0.678 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1785576891 QITYRUAVRLQMKR-HYFFOGBASA-N 460.535 0.586 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788651567 TUSMZCMZFLDIKT-IHFIDZABSA-N 465.667 0.668 30 20 JCED C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1791051975 NNGTYHAUDYIVEG-XSLAGTTESA-N 464.563 0.888 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1792257942 QGYVAMPDKBGPQK-VJANTYMQSA-N 476.574 0.505 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn(C)c(CC)c1Br)C2 1793342888 YANCNPKYUJNIJJ-VWPFQQQWSA-N 467.364 0.987 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNCP(=O)(O)O 1795967307 PSPCGHPMQZNERA-QKPAOTATSA-N 472.479 0.266 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cc1 1796489192 GEUSEFDRLXTZMB-TXJLERAZSA-N 468.554 0.585 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CC)C2 1797669282 NTDPTMNQIHEHGM-CWQOZTLDSA-N 498.577 0.152 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798857974 GWNAZUAROVHAGO-FCGDIQPGSA-N 458.515 0.647 30 20 JCED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cn3c(nc2=O)SCC3)c1 1799074601 HBDQSICNZPSSHA-CWPLJXCYSA-N 483.525 0.806 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1799303956 OTJIIIYFABKVIF-OPMZPASUSA-N 478.567 0.949 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1799325243 ZCHGCJHPORYHIS-AVEIZBFRSA-N 477.566 0.683 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1OCCC2 1799936835 CKPZYHIVONXWST-UPHUGPLXSA-N 451.483 0.819 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800209065 CBKVZCQRVVWFHS-UIVXKWKOSA-N 489.529 0.067 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c(C(=O)OCC)ncn2C1 1800326985 XHIAEBSXTAFFLL-NLPMXTIOSA-N 488.585 0.785 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)C1 1801052311 KIYCGXQSJQRNRG-VSLMROLDSA-N 493.605 0.420 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC(=O)C2)c(C(F)(F)F)n1 1801065558 PLFOGZSMVSJESD-KOFHJDLBSA-N 465.432 0.701 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)n2cnnn2)N(C(=O)OC(C)(C)C)C1 1801440552 XGAHOFHFKKRLOI-JCECYMMASA-N 475.550 0.389 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1802139576 FXSVKNLJJNDSPT-LOAAXEFPSA-N 489.577 0.379 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@H]1c1cccnc1 1803547832 QJNOSLPAKFAAJL-QMMLZNLJSA-N 476.599 0.797 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)C(=O)C(=O)O 1810288730 KEQQFQPMVGNPDS-FSJIFWRBSA-N 458.519 0.102 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822205649 MUXKHHGFBIAPKB-GJZGRUSLSA-N 491.501 0.946 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)ccc1F 1822961723 GGZDCULQXWDDGW-LBPRGKRZSA-N 493.484 0.748 30 20 JCED Cn1nccc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828717748 KZTFFNJNJKJOGM-DEOSSOPVSA-N 479.493 0.574 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1828807837 UYRJORSEGVDNNA-XUZZJYLKSA-N 485.541 0.003 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1828922449 HKUXSTWYULQQHY-FDDCHVKYSA-N 469.498 0.851 30 20 JCED CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1)C(=O)C(=O)O 1828978840 OOEPGOFXSOMHFY-PNYYXPLCSA-N 466.535 0.678 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)c(O)c(C)c3)C2)C1 1829773146 BYQUAAAIVRZEQK-XLQQFJOYSA-N 457.527 0.937 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@]4(CN(C(=O)Cc5ccc(C#N)cc5)CCO4)C3)CC2)CC1 1829905755 LJUYBDJMWYRJGN-VWLOTQADSA-N 481.597 0.337 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CCO2 1830385616 OHXZVEXZVRVLDB-FWSJLQTGSA-N 487.619 0.681 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1830462769 MNTNWGKQZBANIQ-XMMPIXPASA-N 465.510 0.204 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1830533263 IXHQELKFWXJJRB-PNLZDCPESA-N 453.536 0.130 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831329325 LNQXIJNBDPUYNU-YCRPNKLZSA-N 482.534 0.095 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C2)C1 1831391020 DJYHVCQIIQVSSE-XXBNENTESA-N 478.567 0.263 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1831488342 WORMYHSDLZHOKE-XMSQKQJNSA-N 462.572 0.991 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831693368 XMXYMZIYPUWVMJ-VDTGVWRYSA-N 468.551 0.134 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)c1 1832375387 QORVADSEOGHUQR-QHCPKHFHSA-N 469.498 0.245 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)c1 1832793821 UMIQXWFALVYDGF-QHCPKHFHSA-N 482.497 0.752 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(Br)cn3)CCO2)C1 1833107105 XKGLZESRMRGYAM-KKSFZXQISA-N 480.359 0.881 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c1Cl 1833762371 AYLNHSWFWWMYFB-SFHVURJKSA-N 486.960 0.995 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835405819 OIYLRUPUKXADOY-MHECFPHRSA-N 494.589 0.535 30 20 JCED Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)no1 1835774446 XECCERUAPBYMAS-AFUMVMLFSA-N 484.557 0.997 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3Cc4ccccc4C3=O)CCO2)C1 1836593734 NHSINKMKHKZMBX-DFBJGRDBSA-N 469.538 0.527 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)c2C1 1836773223 UXJWNBYUOCSUFQ-QHCPKHFHSA-N 488.545 0.617 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1836786544 RNOGHOPYRIDOFS-VQYZLWMVSA-N 466.535 0.966 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)N1C[C@H]2C[C@H]2C1 1837279132 RFZMLVMBADZFRV-LLHPUKMZSA-N 452.555 0.897 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1837428322 AQTHIQPKNCNHEX-JOCHJYFZSA-N 478.622 0.046 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837491745 XDSWNCHZFCSEGU-DEOSSOPVSA-N 467.526 0.498 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)nc(OC)c3)CCO2)C1 1838228386 OCOUSYRJHMDQGH-VFNWGFHPSA-N 451.907 0.852 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838313765 LNSMFTPXVCQGRW-BTYIYWSLSA-N 465.507 0.609 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)c21 1838439109 JFXOYTNVXCBXDG-QHCPKHFHSA-N 464.482 0.862 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736845 AOGIUHWGDLGQNB-LJQANCHMSA-N 477.319 0.766 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951316 KHVIPVKGUREXTN-NFBKMPQASA-N 473.482 0.123 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)c(C#N)c1 1839131274 ABNTVQSQPYZZTN-WAIKUNEKSA-N 458.515 0.077 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(OC)cc4C#N)CCO3)C2)CC1 1839132716 PVOSWUBXLZZUMG-DEOSSOPVSA-N 485.537 0.909 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185628 GLUROHQJQWSBMG-ZHRRBRCNSA-N 481.546 0.377 30 20 JCED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)cccc1=O 1839420232 WYAYKDTUVBBXNW-QHCPKHFHSA-N 454.458 0.780 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421117 WOVNYNVPKLVZNU-OYHNWAKOSA-N 461.494 0.475 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423809 YHFXQPWLEZLGAM-LAUBAEHRSA-N 463.922 0.729 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccncc5O)C4)C3)c2c1 1839488472 UKYGCUOWMNSZRZ-HSZRJFAPSA-N 462.466 0.919 30 20 JCED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1839859970 RGMDRMXCZWSKPH-FQEVSTJZSA-N 468.432 0.783 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1)CCO2 1840008440 HKRGKRSYCCBWLK-VXKWHMMOSA-N 453.511 0.815 30 20 JCED CC(C)[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1840107841 MIIQBFUNYCXFBM-HXOBKFHXSA-N 481.546 0.470 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)C1 1840172531 UCSBMNIVYCFLRI-QHCPKHFHSA-N 457.531 0.054 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840321663 FKEXFBZRICXAQC-UZUQRXQVSA-N 498.577 0.658 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CN(C)C1)CCO2)c1ccc(O)cc1 1840572718 NQQQEPOMAZKJGT-NBGIEHNGSA-N 455.555 0.907 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1840819029 LCCJIYNODUZKRY-HSZRJFAPSA-N 452.467 0.808 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1840913114 YIOHDOWDUFRUJM-HZCFWTAGSA-N 492.573 0.191 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1846365918 DBVVOOQJHPWIAV-BBWFWOEESA-N 480.562 0.766 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)c2cc(C#N)c[nH]2)C3)C(=O)C1 1847123882 IAANPZKZPNYNJU-UHFFFAOYSA-N 470.530 0.783 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c(I)cnn1C 1847801614 QAUWDJVUWVVCAR-XBFCOCLRSA-N 456.284 0.878 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC(F)F)cc2)c1=O 489031073 NCDAIHXISAQUBX-UHFFFAOYSA-N 478.521 0.483 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 490965465 MRGNZOZNFIRZEE-UHFFFAOYSA-N 492.535 0.914 30 20 JCED COc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1S(=O)(=O)N1CCOCC1 497893951 WZPPSKFKNROHPI-UHFFFAOYSA-N 466.560 0.404 30 20 JCED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 511577792 SFZNFRPGXSULMB-UHFFFAOYSA-N 455.496 0.276 30 20 JCED C=CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 512565910 TXSMVYBGRPFHJN-LJQANCHMSA-N 497.639 0.810 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)CC2)nc1 516482920 GLPNYMLHGDKDNH-UHFFFAOYSA-N 481.538 0.711 30 20 JCED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 590995722 URDXXNXOITXUIN-UHFFFAOYSA-N 487.603 0.796 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 604434335 TVRMWUTZEMDYLY-UHFFFAOYSA-N 454.464 0.706 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)ccc1SC 604499164 LRBDNAQIHTVAPS-UHFFFAOYSA-N 472.592 0.510 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCc1cccnc1 609038361 NPIVREXSJGPPSR-UHFFFAOYSA-N 464.547 0.822 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)cc1 726299462 WAABMSKUUXEZIL-HKOYGPOVSA-N 465.576 0.665 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCS(C)(=O)=O 729673647 ZHEZXQFOSDMWTF-UHFFFAOYSA-N 465.622 0.706 30 20 JCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC(=O)N(CCC#N)CCC#N)c1 819799075 NEVJLNRMLZXZHF-UHFFFAOYSA-N 477.543 0.586 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCOC 916200450 ANEIKCIWSYRUNY-UHFFFAOYSA-N 451.495 0.880 30 20 JCED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 916941986 CMDNWZRWSMUBMC-DJIMGWMZSA-N 461.496 0.546 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 917354966 FMOWOKNVAYVWIZ-UHFFFAOYSA-N 459.572 0.049 30 20 JCED C[C@@H]1Cc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)ccc2N1S(C)(=O)=O 917937056 AMIOFSHDHZKSDC-CQSZACIVSA-N 491.547 0.973 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 918277602 FLACDAHKYJKMCL-XQEBGNCTSA-N 470.573 0.521 30 20 JCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)COc3cccc(C#N)c3)C2=O)cc1 919416900 GARHVHNLOOHCBV-QFIPXVFZSA-N 452.423 0.987 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 920294450 IFUYIZOBSKOOIG-HOCLYGCPSA-N 456.590 0.680 30 20 JCED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1307599692 QZQJBDIXUNBOPL-BPQIPLTHSA-N 452.602 0.795 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539601403 ZYIVIWQBKGZLIU-GFCCVEGCSA-N 482.426 0.607 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1692848801 WIDOAKGTYHBCET-CVEARBPZSA-N 486.620 0.176 30 20 JCED Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc(N2CCCC2)n1 1707293798 KNZCWMSJLPWRJA-FUHWJXTLSA-N 474.591 0.969 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1712104211 IWQOTTAFCGQBGP-UHFFFAOYSA-N 480.573 0.276 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1-n1cccn1 1723953230 CIGKSSIPNNYKQN-RDJZCZTQSA-N 456.532 0.851 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CCO1 1748223887 XVXRRCZGBYEBRZ-RTHCMUBDSA-N 472.571 0.981 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1748293628 QQIOULZYPYTDDJ-IBGZPJMESA-N 486.602 0.109 30 20 JCED CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)S(C)(=O)=O 1766874642 NDGPSKLMCUJCIK-UHFFFAOYSA-N 480.616 0.969 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H]3CNc4ccccc4O3)C2)C1 1778929189 ZLSCAOZOPNRLML-YLKSCKIRSA-N 454.527 0.938 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(C#N)c[nH]3)C2)CC1 1780180619 IQFZNQBXRZICNO-DENIHFKCSA-N 477.587 0.685 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)c(C#N)c1 1781174306 LOTXVTLBQHTBEZ-QHCPKHFHSA-N 465.466 0.741 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781341722 ZGXDLDJKRJSEEO-HKARXFIJSA-N 469.579 0.665 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1781384090 ZOPJLLKONVDMOX-QHCPKHFHSA-N 478.546 0.416 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1783268713 FSDINSFZJNOVNF-CDXSOPQDSA-N 478.590 0.140 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C[C@@H]21 1783529753 YQXVWQCGYMWZBJ-JUTDANKFSA-N 482.516 0.858 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783612163 PYKVPGPOLATKQC-TUYLGGJPSA-N 492.573 0.045 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)CNC(=O)C(F)(F)F)C4)C3)c2c1 1783982403 RDVBQDBQSKPSEG-IBGZPJMESA-N 464.404 0.557 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cncc(OC)c3)[C@H]2C1 1785265310 KEFQVERACRVXJW-ZWRIWVSPSA-N 456.543 0.861 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785321865 RLRAZADPXYKZDD-QZMQVMSPSA-N 463.531 0.988 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785346095 ZMIJNKCFHGTPEP-YADARESESA-N 480.606 0.960 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785746737 MCZAMXGMAYAWGA-UZUQRXQVSA-N 463.531 0.942 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCCC4=O)[C@H]3C2)c(C#N)c1 1786732087 RNYGXEXETWEQIA-YYWHXJBOSA-N 454.527 0.711 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N(C)C(C)=O)[C@H]2C1 1787518714 KXIHQFRDGMCUIB-JBDAPHQKSA-N 478.590 0.750 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)[C@H]2C1 1788251520 IRABMDKYONZTIJ-AESZEHBQSA-N 494.618 0.940 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790329917 ZXZNYGCEFDWXRM-ZVZYQTTQSA-N 469.571 0.512 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(OC3CCOCC3)n1)C2 1792490284 SYTXUSJVJKKBNU-JINAQJPASA-N 484.553 0.701 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)C2 1793344649 QWUKSGCQMFPNLK-IVDSKFSHSA-N 488.629 0.337 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)O2)c(C(F)(F)F)n1 1793416478 JWGANBQPMYTWRM-DJBIQUGXSA-N 453.377 0.284 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)Cc1ccco1 1794159176 WYWOXYVVOAXFPU-GEYWLOKFSA-N 489.525 0.783 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n(C)n1 1794322330 FBVWLTXVPYNMMW-KRXQYRFLSA-N 463.535 0.798 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(N2CCCNC(=O)C2)n1 1794839397 AYWGVHCBAQZJPT-OKYOBFRVSA-N 453.543 0.698 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)[C@H]1SC(=N)NC1=O 1796424951 AJRBYYNQNSKRQN-YBDPJIJVSA-N 481.538 0.440 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3sc(C)cn3c1=O)C2 1797711625 ZRRALYDJNXTTEM-FSDCSDTHSA-N 460.556 0.841 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1797779789 RFQCNQDMKMGORD-NTNQKNOYSA-N 460.498 0.928 30 20 JCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)nc3cccnn23)cc1 1798496904 SZVSGBJJVSCKTD-NHKMSHSESA-N 472.505 0.797 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693925 GQEKPTXKKLUQAX-KYHPRHEASA-N 460.535 0.332 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 1798694300 YZKOSTMTZSNCOE-NZKYLMMGSA-N 473.530 0.317 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c1 1798859337 HZJFKZQGOLTZOO-JLVBRIDZSA-N 455.496 0.227 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)[C@@H](O)C1 1799200328 TXQDJOADABNVGL-AQNRLUSSSA-N 490.557 0.516 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)c(F)c1)C2 1799305523 OYYLIODZOXTBRG-CWPLJXCYSA-N 482.530 0.942 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 1800741837 SYZVHGYTCUSKLA-LXDWIVHCSA-N 457.527 0.929 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1800982009 UQAYXPQLNXFTHA-RLBCXOBBSA-N 477.649 0.556 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801443466 VCNLYYHNIBQTGG-MCEUPANISA-N 479.603 0.606 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807026257 SBKGXWCDHOWVDP-APWZRJJASA-N 468.447 0.322 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814813376 HAQAYOWZHJDOGI-KCQAQPDRSA-N 492.602 0.565 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)NC(=O)c3cnccn3)sc2C1 1820022105 XVIFIKDWTOMKRL-BFHYXJOUSA-N 456.528 0.702 30 20 JCED N#CCCC(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990764 ULWFVZAXVVTFLT-CYFREDJKSA-N 484.557 0.335 30 20 JCED CC[C@H](C)[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330689 OGDOYVVTGGAKJN-FKRCVWNDSA-N 485.537 0.934 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1OCC)CCO2 1829535815 DCHLAUDERXQWGC-YLNCNTMDSA-N 458.515 0.409 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1829758251 WUAHJEZVKPCEIZ-QJNITLFRSA-N 468.536 0.179 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3OC)C2)C1 1829762252 AXTNHXDNTXPAAN-HMLKYZKVSA-N 473.526 0.389 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OCC)cc3)C2)C1 1829771245 NFZWXHQJVXLVMN-JRUKXMRZSA-N 485.537 0.792 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829881745 NRLCAKCAEVWVGH-NTKDMRAZSA-N 478.590 0.455 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1830385196 HDWCIMAZUHBVFJ-IPGXXCDGSA-N 486.591 0.018 30 20 JCED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1830403679 WLGLEYLZQASFTB-RUZDIDTESA-N 450.491 0.467 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(OC)OC)CCO2)c1ccc(O)cc1 1831041021 JBBQBJIYXCHLIQ-NTKDMRAZSA-N 460.527 0.965 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NO[C@H](c4ccccc4)C3)C2)C1 1831391416 ATTVCWYASZNYNQ-ZHRMCQFGSA-N 455.511 0.999 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1831406099 UCRFRUCGPMDQSM-QHCPKHFHSA-N 457.531 0.871 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1831407173 QIGFZXMHNXGYSN-QHCPKHFHSA-N 461.515 0.906 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1831493752 VGLAQGKPXHMBNT-AUSIDOKSSA-N 480.583 0.860 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3C)CCO2)C1 1831879952 BBBOBDYWKDSQDQ-NTKDMRAZSA-N 489.573 0.715 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)OC)C2)C1 1832000040 FUBIGCAYONYHOM-JLHGSKIFSA-N 455.552 0.947 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1833478376 UYEWZRHWTPWBOQ-QGZVFWFLSA-N 468.558 0.866 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1833607237 GYDLRRGGYJSKER-OPAMFIHVSA-N 462.503 0.271 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)c(O)n1 1833699964 JONKCWHUPKOHCM-XMMPIXPASA-N 488.541 0.818 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)CC1 1835400031 IZLBBNNEFNYCAP-VWLOTQADSA-N 469.586 0.195 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c(C#N)c1 1835448336 RQSGHCVALFWEOV-RUZDIDTESA-N 486.569 0.288 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835860260 OUUUREBUIPWBQN-NYHFZMIOSA-N 477.518 0.102 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836322079 ZAKKLVXEJFXBKZ-QKKBWIMNSA-N 497.474 0.909 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1837078436 JGAIXPFDBYVZLT-UHFFFAOYSA-N 483.525 0.487 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C(C)=C/OC)CCO2)C1 1837268388 KXHWVUFTTMDFHD-XSZPLVAYSA-N 465.547 0.910 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cnn(-c4cccnc4)c3)CC2)CC1 1837319203 XRUZSRMECNICRA-UHFFFAOYSA-N 451.483 0.968 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1837396162 CPDFLSOTPPECTC-XMSQKQJNSA-N 450.536 0.173 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1837403326 KGJOESFTWCVRFT-GAJHUEQPSA-N 490.582 0.769 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1837445974 DEEGSTCSDVMYHC-ZZAWEDPDSA-N 460.535 0.043 30 20 JCED O=C1NCc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)ccc21 1837529431 UNVIXUHTYZVBFV-MHDVSZCYSA-N 486.525 0.529 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837530418 MLGVBUOZYWTMFV-VJIOCRDPSA-N 461.519 0.428 30 20 JCED Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1838097739 AHVYVORKSZOVSX-QHCPKHFHSA-N 461.482 0.917 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)s1)CCO2 1838153724 ZVNTZSZKRVLVQD-LLHWWHOWSA-N 454.936 0.725 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838604330 MXRLSURQCHKXDK-JOCHJYFZSA-N 470.486 0.298 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)cnc2s1 1838736854 AWBMAOCOSSDHTN-QFIPXVFZSA-N 482.522 0.648 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)[C@@H](O)C1 1839108270 DZZCEFSANDALBF-AXHZCLLHSA-N 477.558 0.084 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnn4)C3)C2)c1 1839422431 SSYYRQUACQIZBA-QFIPXVFZSA-N 455.446 0.636 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1840059414 FQNDVCFROPPLHD-PTDBIEIZSA-N 473.592 0.131 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1840164288 FCKJIIWKFWLCCE-GRJRYPSTSA-N 469.604 0.874 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840445987 XVLKMVRONCXYCL-WZONZLPQSA-N 492.577 0.594 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1840714768 GQDATJIZRFAEDD-HJPURHCSSA-N 467.530 0.717 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840770931 SVMJLJZNQOLXNK-AVRWGWEMSA-N 483.521 0.777 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812557 XHDPTAHBELQHBU-GAJHUEQPSA-N 480.562 0.412 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880212 CKERFVSHQULBJC-COIATFDQSA-N 488.541 0.555 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)cc1 1840897312 VWQGDJOFOMJFFO-JOCHJYFZSA-N 488.591 0.683 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@H](NC)C(=O)O)C1 1842952432 RTJIUMUUVWGVFC-IRXDYDNUSA-N 464.563 0.949 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301958 RRGPCWDOZCJJKP-XAIYEHPZSA-N 468.551 0.995 30 20 JCED CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 18039132 CSPPTXPVXARSTC-UHFFFAOYSA-N 476.580 0.932 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 18760850 OQVGMBSXPCOYQE-MWTRTKDXSA-N 489.550 0.730 30 20 JCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 505993010 UEFCUIXUABGXMI-KRWDZBQOSA-N 450.561 0.158 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(Cl)cc(Cl)c2)c1=O 511082194 MFUZCJDGYNAYHI-UHFFFAOYSA-N 467.378 0.705 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCc1ccccn1 522382256 MZNBFJSTVGZGKQ-UHFFFAOYSA-N 452.511 0.952 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(C(N)=O)cc1 523255764 FZGXAQPVUWIQPE-UHFFFAOYSA-N 475.486 0.688 30 20 JCED Cc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 608828010 BZNWLZZZHVQLJI-UHFFFAOYSA-N 451.533 0.545 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(C(N)=O)cc1 608828598 CPBUUUUUKNNWDC-UHFFFAOYSA-N 453.549 0.730 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(=O)N(C)C 609074700 KLNLRJCSMVDFFS-UHFFFAOYSA-N 452.458 0.443 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCOc3ccc(S(N)(=O)=O)cc3)CC2)o1 726067172 VGNQRHTTZJVNMG-UHFFFAOYSA-N 477.499 0.163 30 20 JCED CN(C(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(C)(C)C#N 748635306 VERMWODPSMFOIB-UHFFFAOYSA-N 464.544 0.603 30 20 JCED COc1ccc(C(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1OC 898262249 SMPILKFILNYJPB-UHFFFAOYSA-N 472.523 0.727 30 20 JCED CN1CCN(CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 916705293 MWGYYQJBFRTUBH-LYBHJNIJSA-N 464.592 0.192 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1OC 916922969 HNLVKYNURHELJJ-BRWVUGGUSA-N 477.539 0.107 30 20 JCED COCCn1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1=O 919577779 YFQBPHOYOXPKCF-UHFFFAOYSA-N 488.522 0.056 30 20 JCED C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1303722339 NHMKAIZRGJPFFG-AEFFLSMTSA-N 458.592 0.724 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1499302742 WXUQQTIOSWRDTK-MSOLQXFVSA-N 457.560 0.956 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CCO1 1508386831 WRQXPYMZCZMSDV-FQEVSTJZSA-N 469.546 0.985 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1615952563 UBECDTXENDKWDL-UHFFFAOYSA-N 483.573 0.528 30 20 JCED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1620162272 LYCFEDDVALNGTJ-UHFFFAOYSA-N 452.562 0.333 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1706625416 LWKSRUYTRGNGHH-MRXNPFEDSA-N 462.532 0.628 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccccc1 1706748091 SOUZJQOHMKWOSI-HZPDHXFCSA-N 466.589 0.897 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1711425773 YLNFCKCXZQDFKY-UHFFFAOYSA-N 489.602 0.973 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1727658864 MUDQKOHWKLCJKM-AZUAARDMSA-N 481.557 0.938 30 20 JCED CC1CCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1750076216 LVWDOXCMZDTCTG-ZWKOTPCHSA-N 453.613 0.939 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC2CC2)C1 1771361768 PFGQDOWSZIHRDZ-KRWDZBQOSA-N 465.580 0.267 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1779062625 DMVITZXEOOGIRT-DEOSSOPVSA-N 455.511 0.995 30 20 JCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779947375 NASTZDKZIZNSIA-OAQYLSRUSA-N 470.511 0.021 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1781187354 GNNVONPBJWNOTK-VFNWGFHPSA-N 452.508 0.576 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1781271079 XXCQPPLSQNTGJT-KOSHJBKYSA-N 495.573 0.962 30 20 JCED Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)c(=O)nc1O 1781976736 RECXRTLYWPLKFU-JOCHJYFZSA-N 471.901 0.926 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)S)C1 1782184990 IBTLQGZLZIGLFS-NNMXDRDESA-N 476.636 0.905 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1782646795 AWUHPEZPVYBWEG-JOCHJYFZSA-N 459.572 0.423 30 20 JCED CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783562637 MYHVYVJJTBWICB-BTYIYWSLSA-N 469.560 0.551 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783626325 TXNXBQAJIDEOAV-SPOLIRPYSA-N 478.590 0.962 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783781583 KJBJOXNXTDOMSO-YGHRGLEHSA-N 486.635 0.943 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783981872 DOVUUHFXQUGUJC-VHVRDPDASA-N 450.414 0.024 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1784373407 KLRMDKOTRVVUDR-HYBUGGRVSA-N 490.524 0.349 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)c3ccccn3)[C@H]2C1 1786872987 MWWNMPUWQCRUMI-WJRACZLCSA-N 485.585 0.978 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=N/O[C@H]5CCCCO5)[C@H]4C3)c(C)n2n1 1788658961 DJJKWRNELNXGIV-OTAMJXPLSA-N 485.545 0.863 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nccnc4C(N)=O)[C@H]3C2)c(O)n1 1789090900 PNHHWRDNNTZAPX-WBAXXEDZSA-N 480.525 0.702 30 20 JCED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1793364473 DWPVVDBTJHJCQO-FAQVEIGNSA-N 461.540 0.605 30 20 JCED CN1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793826847 VZQCZTPMLJEXDC-LRSLUSHPSA-N 453.587 0.915 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795602753 OIJMAWPIKAROPT-BJWYYQGGSA-N 481.569 0.817 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn(-c2ccccc2)c2c1COC2 1796094180 OKULTGJEPHCQIC-BKHSTJABSA-N 491.548 0.964 30 20 JCED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2ccc(C#N)cc2)C3)no1 1797826377 YRELIXZGYPXDHO-BBIADKPPSA-N 465.510 0.807 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1cccc(Br)c1 1799099475 YLMGFWUKYUVJJD-LTUXPVQVSA-N 492.370 0.931 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCN(C(C)=O)CC1)C2 1804372243 MEUWXDRNQHIYBY-WOZUAGRISA-N 489.617 0.705 30 20 JCED Cn1c(=O)c(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)nc2ccccc21 1809292295 WLOJAGVZQVQXII-AOMKIAJQSA-N 459.462 0.736 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1822229095 WJTYQRKSTXOEMO-KBMXLJTQSA-N 475.502 0.860 30 20 JCED O=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)N1 1825073722 ASOJNGJMRLEAFG-MOPGFXCFSA-N 458.559 0.903 30 20 JCED C[C@H](NC=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1 1828921461 WGEZLMFSXZUDQB-UUOWRZLLSA-N 467.526 0.877 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCN2C(=O)OCc1ccccc1 1828968073 WPRWJYAIWYMRFM-CYFREDJKSA-N 484.557 0.335 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829335071 TVCBRNBTIFYBEI-KSFYIVLOSA-N 459.524 0.845 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1829335211 XNFOXNFFFFYIMY-XMMPIXPASA-N 496.476 0.321 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1829766387 WDHWRZOXVLPVSY-NOQQUFQASA-N 468.554 0.016 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnc3ccccc3c1)CCO2 1830441751 ACWLHCXASAKEMQ-DEOSSOPVSA-N 451.479 0.712 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1830461425 IPDXJNYRCMTOIQ-QFIPXVFZSA-N 468.470 0.892 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C)C2)C1 1831391436 BCFZGPWEHHSGMO-ZDQHKECQSA-N 493.601 0.984 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1831406182 YOADKKNRLIDYQG-NRFANRHFSA-N 452.483 0.835 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1832000264 JWFATXSZIBWJBG-LLJLJFOGSA-N 494.589 0.603 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1833028494 QGHWSAOHZBKTQE-WZONZLPQSA-N 488.545 0.545 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4Cl)C3)C2)CC1 1835402965 XEYHXNNIZKHVPD-DEOSSOPVSA-N 490.004 0.919 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837206726 PNOAMXMNCIOUST-DPTMFGANSA-N 481.527 0.008 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492360 GUACODQGGCEIPF-RUZDIDTESA-N 469.538 0.554 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1837496144 FMQGISHAFSHTRX-JOCHJYFZSA-N 495.623 0.002 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837562685 BQLGLKZKDFCZAT-NYNQOQISSA-N 487.469 0.781 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1837657384 VUFKAJAZIUVERW-XMMPIXPASA-N 488.589 0.025 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838599339 FKVNSVHRKYBPDG-VXKWHMMOSA-N 479.917 0.897 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)C3)C2)cc1 1838950322 JEJRUHKQIBWDQZ-AVRWGWEMSA-N 493.520 0.635 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1839173848 PTXLBQQDDZKIOF-DEOSSOPVSA-N 486.525 0.635 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204377 BPVLDWCGIWLILP-VGOFRKELSA-N 487.619 0.638 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n1 1839224913 RSAIUSWJDVNVHQ-LAUBAEHRSA-N 451.524 0.400 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361398 IKIHRNFZPYZKIA-HTAPYJJXSA-N 463.556 0.503 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1839384783 QQIIIMJKJPEUJY-AVYPCKFXSA-N 461.581 0.240 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(S(=O)(=O)CC)ccc1OCC1CC1)CCO2 1839397990 WLQPVESEURYGEQ-XMMPIXPASA-N 490.578 0.972 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)c(OC)cc1C)CCO2 1839398245 FHJDBCBTCFHGRF-CVUHLLMESA-N 487.553 0.941 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1)n1cnnn1 1839424901 HOYJUYCXIZTMHV-VBKZILBWSA-N 459.894 0.529 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839648860 MIISZRYETUWGGV-DNEJYPSXSA-N 492.573 0.399 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)CCO2 1840344343 AONHYCSEAVZZJF-YADARESESA-N 489.573 0.715 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840410769 KOZLYTKDKDABOK-HSZRJFAPSA-N 458.515 0.010 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820288 IEMRDPZOMNRISO-UZUQRXQVSA-N 475.498 0.955 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)c4ccccc4OC)C3)C2)C1 1840840686 HYTVLWDZAADQCQ-VWLOTQADSA-N 469.538 0.637 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1840908355 KDYSUUXIPKVDPB-GRGOARACSA-N 487.557 0.796 30 20 JCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@H](C)NC(=O)c3cnccn3)C2)c(C#N)c1 1844333154 SKLNWWBNEVVNFM-INIZCTEOSA-N 462.510 0.921 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C1 1845123678 LMPJCWVHAZUSIE-MSOLQXFVSA-N 478.590 0.990 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CN4C(=O)CNC4=O)cc3)CC2)cc1 10453194 YVXVAFAVWGRPGG-UHFFFAOYSA-N 467.507 0.757 30 20 JCED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 505852852 BGERUSDUIAABSP-UHFFFAOYSA-N 468.561 0.502 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2C)c1=O 507085436 KHFYXQIFSVVVIJ-UHFFFAOYSA-N 473.526 0.672 30 20 JCED CN(CCS(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1)S(=O)(=O)c1ccc(F)cc1 511666311 NROGZVJXWAPODQ-UHFFFAOYSA-N 467.548 0.865 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 603795828 VLWQXNMRVCFJHC-UHFFFAOYSA-N 499.593 0.912 30 20 JCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 604167764 QLCGULYTWFCJDR-UHFFFAOYSA-N 498.565 0.570 30 20 JCED C[C@H](OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)C(=O)N(C)CCC#N 729626908 FVIPNIPTYAGELB-INIZCTEOSA-N 491.570 0.831 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccccc2I)c1=O 729673494 SIQFRXWFFYTSGY-UHFFFAOYSA-N 485.328 0.586 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCS(C)(=O)=O 729675059 RMYUWRAIBWKKKR-CYBMUJFWSA-N 463.537 0.981 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 914819893 YBMSXTBFOLPNDF-SFHVURJKSA-N 488.570 0.025 30 20 JCED Cn1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(O)nc1=O 916953146 KEVQDUSPSUWIMT-HNNXBMFYSA-N 459.484 0.622 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCS(=O)(=O)CC1 917139614 ZSZPAMXZFLAMHU-MRXNPFEDSA-N 456.590 0.131 30 20 JCED COCC(=O)NC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918274615 UJFPCEVRTCXXNO-MOHJPFBDSA-N 479.559 0.192 30 20 JCED CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918279138 OCFQFNKMFXRXAV-FVOSJULTSA-N 453.565 0.257 30 20 JCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 919051009 MQTLWYKLPQJSOP-CABCVRRESA-N 452.533 0.607 30 20 JCED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OC(F)(F)O3)N(CC(=O)NCCOC)C1=O 920172351 DRLVBNTZWFIFQP-ZDUSSCGKSA-N 458.443 0.838 30 20 JCED N#Cc1ccc(O[C@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2)nc1 1129339399 RUGRDOWFDBNENG-KRWDZBQOSA-N 455.496 0.367 30 20 JCED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)COc1cccc(Br)c1C#N 1155690764 OODWHMRKYGFSLM-CQSZACIVSA-N 454.277 0.606 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1315072678 RWRSKZSZXXWJHW-YJBOKZPZSA-N 464.548 0.518 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1360708165 RIKBWORGAVONSB-QAPCUYQASA-N 473.607 0.574 30 20 JCED Cn1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)n1 1517386629 SFXRLOGMSPTKQH-CRAIPNDOSA-N 452.516 0.029 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1541991176 VEBKVDPYGWKXDW-KKSFZXQISA-N 481.623 0.903 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CC(=O)N2CCOCC2)cc1 1698488395 CBVFNTNTLDHXFZ-UHFFFAOYSA-N 475.500 0.975 30 20 JCED CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1711348347 NFDGHIQMMDDCJN-OAQYLSRUSA-N 494.600 0.855 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1711420950 ZQFMRWYKDYDPMH-CYBMUJFWSA-N 485.364 0.994 30 20 JCED CCCN1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1728124927 IUDFDLZPNLVWQD-ABSDTBQOSA-N 469.587 0.785 30 20 JCED COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1770940827 OTFLVQXMITZKPB-SFHVURJKSA-N 461.544 0.608 30 20 JCED CS(=O)(=O)CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1771353178 ZKMVJKWIWBQDIJ-UHFFFAOYSA-N 479.584 0.788 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104573 MFGZWXOHJGTSHT-SGRCOUCXSA-N 498.577 0.885 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3sccn23)C1 1779987671 KLQCCOYYRFMEPC-ZDPZECHZSA-N 458.540 0.922 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1Cl 1780188273 QKBICFHVLUXBML-QFIPXVFZSA-N 456.886 0.970 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1780899148 KDDOXVWJOWILNH-JHRJRVHLSA-N 472.517 0.632 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1781165057 CAGDXFHBUMVOMW-YTZAWJCFSA-N 493.605 0.106 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1783531164 FEUGTQMBNFNEGT-NECFDHOKSA-N 458.559 0.226 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783959153 ATRBEDMNXYQWHY-BTYIYWSLSA-N 469.560 0.551 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1784012704 ADOLIQASAPUUKX-HFJQGTKSSA-N 452.515 0.967 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2)c1ccc(O)cc1 1784018701 WRFAJRNRKKKCTJ-NTKDMRAZSA-N 453.543 0.559 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1785872141 ZGWVMZLUFAJXOP-NXOAAHMSSA-N 462.551 0.878 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1788770888 DQOARVOAUNHCPA-CMOCDZPBSA-N 456.543 0.622 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327566 TZIHWLPSQQMZBD-QQDKQVRDSA-N 462.514 0.956 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4cccnn4)[C@H]3C2)c(C#N)c1 1791602501 LAPWZPFQFMLVQO-YYWHXJBOSA-N 465.510 0.958 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cc1)C2 1792488698 NEQXUCSISXNPGB-TXJLERAZSA-N 468.554 0.585 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792557601 BDYWATYMZOHUOU-IIZPIQPGSA-N 457.483 0.185 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cccc(N2CCOCC2)n1 1796617873 CNPAPSZUYJFBJV-QEDNUZOQSA-N 487.557 0.650 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797541765 JPCBNPVZXGJSPC-VPTLXERWSA-N 474.473 0.975 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1797781314 GSBPPZZNSDTRBW-IRJINJETSA-N 482.581 0.820 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1799391252 KFWBVDLODUBCQI-XRNRSJMDSA-N 496.605 0.995 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)c[nH]1 1799422530 NUPQPCXEVPMKMO-FZKCQIBNSA-N 458.519 0.907 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSc2nc[nH]n2)c(C#N)c1 1801301676 SKIUAFARYHUQNB-CWPLJXCYSA-N 456.528 0.609 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO)c1ccc(O)cc1 1801737399 LCMVOZZGFVXGHD-KJJMTIBFSA-N 457.571 0.814 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H](CNC(=O)C(O)O)[C@@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1802929565 ZMBSBOGWTQYJMF-SQNIBIBYSA-N 460.531 0.964 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@H]2NC(=O)NC2=O)CC3)c1 1821384531 DBMNKYIXAFFBJZ-SWLSCSKDSA-N 468.495 0.847 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825666896 DZXZXLHXPRSIME-NFAWXSAZSA-N 492.554 0.761 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826801170 YVXCXWGBNZRKIW-TUYSUELWSA-N 456.480 0.189 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828572110 JJLSETFLHFHYJZ-QFQXNSOFSA-N 495.580 0.445 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1829460373 MRCPXFMMMSOHPY-CLOONOSVSA-N 495.536 0.450 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)CCO2 1830838446 QSZIKSBROHTFQI-AREMUKBSSA-N 481.549 0.862 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1831437958 INYAXHFKMQKVTD-UUOWRZLLSA-N 476.526 0.900 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1832000394 NSIOAVVOPLJFAA-UZUQRXQVSA-N 491.545 0.722 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832540412 BCDFYDYRPXRMDD-BCHFMIIMSA-N 497.548 0.558 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c1 1833238037 VHECDZBJMFNDSO-OAQYLSRUSA-N 480.569 0.661 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1833448895 OJNQHOATESQBLP-SJORKVTESA-N 458.625 0.477 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)CCO2 1833566467 FHDLFAKFBARAAJ-RUZDIDTESA-N 482.512 0.914 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833651045 IYSRELKNRCIGLA-FDDCHVKYSA-N 453.499 0.376 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c(O)n1 1833698398 GURXNMZXZKQRLU-OAQYLSRUSA-N 463.560 0.602 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(C(F)(F)F)cn4n3)C2)C1 1834758008 FMBCGWHMNVROPI-GOSISDBHSA-N 452.393 0.732 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835342443 CHPQUTKJYHKJGO-QFIPXVFZSA-N 461.540 0.529 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348310 VOJCJSZYLOTVPH-HJPURHCSSA-N 476.530 0.673 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)CC2)ncn1 1835351890 CVFHWWHCWDZPDS-HSZRJFAPSA-N 472.546 0.462 30 20 JCED CC(C)CNC(=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835767617 HIQGMKBKJKSKHD-HUXSYLCKSA-N 465.595 0.859 30 20 JCED Cc1nc(N)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835803973 PJQHTKLOFRMNQR-WDEJNSOPSA-N 467.548 0.633 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835829615 BKXIAKPUGOSMGH-KTUMRIBQSA-N 463.579 0.778 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c1Cl 1836127907 BVTXHAONBYGDGC-GOSISDBHSA-N 486.960 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccc3occc13)CCO2 1836289234 USBRQPAKYBRDIL-XXGSHBOYSA-N 454.483 0.756 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836811444 QZGZJYZVDQCOBF-ZGOGOCENSA-N 472.502 0.557 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1837428967 PAGBVAOUNJJDAA-PGRDOPGGSA-N 466.655 0.087 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)cc(C(N)=O)cc3C)CCO2)C1 1837433702 GBKZUUFPNPWGRF-UUOWRZLLSA-N 457.527 0.511 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C1)CCC2 1837492390 HFLALPVQDUQZBJ-VWLOTQADSA-N 470.570 0.677 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837640099 CAHNIRCXBBUSIN-YADARESESA-N 466.542 0.875 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838073183 BUOQGJTXQMSFLM-IBGZPJMESA-N 493.557 0.709 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838325022 YVGKOZBNOKTDRU-BTYIYWSLSA-N 463.491 0.056 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1Cl 1838598501 MBMRHABQKUWTMB-OAQYLSRUSA-N 457.874 0.679 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)C[C@H]1CO2 1839085857 PRUDSNBLVAHENR-USCONSEESA-N 464.519 0.135 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C3)C2)c(C#N)c1 1839131553 KBQWTGDOYKTYAR-RTWAWAEBSA-N 485.459 0.879 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)CCO2)C1 1839136203 MMPUYRUREKHEIH-UZUQRXQVSA-N 475.498 0.641 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1839173380 MFGRAHYWKOETNO-OGJPMFGRSA-N 499.564 0.825 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncc(OC)c3)C2)C1 1839174295 QYIBLTRELKHYNU-XMMPIXPASA-N 475.542 0.989 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1839176249 DGMFMWNTEYRLFG-QHCPKHFHSA-N 460.531 0.488 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1839186035 WQWKQKHQJCDDCX-AOMKIAJQSA-N 479.534 0.999 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4CC(c5ccccc5)=NN4)CCO3)C2)CCC1 1839635998 IEMSJQQNVRIXSG-HYBUGGRVSA-N 451.527 0.903 30 20 JCED COc1cccc2c1C[C@@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C1)CC2 1839795086 XSVJBCIQPGPTPH-MHECFPHRSA-N 456.495 0.345 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CN(C(=O)OCc3ccccc3)C1)CCO2 1839803935 FADQDUBCGKURSU-QHCPKHFHSA-N 456.499 0.625 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840170792 ZKUQATWKATXEGS-RPWUZVMVSA-N 479.574 0.618 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1840904722 ULTBNXRVXZQOMA-RUZDIDTESA-N 485.585 0.463 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)COC)C2)C1 1840906426 BJXCIADORAWWFS-IUKKYPGJSA-N 467.563 0.642 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1840908532 CBYRZDIUWDFCAQ-FSTVOOFJSA-N 453.511 0.717 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)C#CC3(O)CCCCC3)C2)CC1 1844282915 SQMJVEIMTWQBRY-UHFFFAOYSA-N 451.589 0.560 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1845199078 BTNVBMQXDHSDRY-SFHVURJKSA-N 498.646 0.780 30 20 JCED CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 483164806 PUGNZHIPOGVQGZ-UHFFFAOYSA-N 490.563 0.574 30 20 JCED COCCOCC(=O)NC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 494520614 QMRXAQROSQHGOC-UHFFFAOYSA-N 492.598 0.729 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CCN(C)CC1 517983516 JMPVPKIRWGRKDS-HNNXBMFYSA-N 485.566 0.739 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCc1ccccn1 522390528 QKHZOVNUBMQTLN-UHFFFAOYSA-N 463.563 0.988 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 523465410 QIDOHZPTGMKEPH-UHFFFAOYSA-N 452.514 0.182 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C)n3)c(=O)n2-c2ccc(OC)nc2)CC1 524275100 KLQVFNQLMJZTSC-UHFFFAOYSA-N 496.618 0.735 30 20 JCED COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(OC)n1 604475850 JZJYLMDTUNAAEW-UHFFFAOYSA-N 459.484 0.442 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c1=O 608910751 HQOFUZMQXKIAFP-UHFFFAOYSA-N 458.496 0.820 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)C1=O 726043518 ONFLSHMLOADHRK-IBGZPJMESA-N 459.455 0.791 30 20 JCED COc1ccc(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)cc1S(=O)(=O)N1CCOCC1 727949585 WHTSXKVTOFKUNA-UHFFFAOYSA-N 488.522 0.873 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c1 728503941 GBOOYPATRDRESJ-XQNSMLJCSA-N 492.539 0.648 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)c1 729671107 HNQTUZSYCBZPPA-UHFFFAOYSA-N 477.608 0.771 30 20 JCED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)c1 729671388 LLFCVSADDFELIJ-UHFFFAOYSA-N 461.609 0.847 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(S(=O)(=O)N(C)C)ccc3F)CC2)o1 915379223 ZKXHKHWPRIMGQJ-UHFFFAOYSA-N 479.490 0.750 30 20 JCED CCNC(=O)COc1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 917184074 LEDYIVJPMMZHFA-UHFFFAOYSA-N 474.539 0.955 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 917356302 UBRPTXVDTIBOMM-UHFFFAOYSA-N 458.584 0.746 30 20 JCED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 919664342 DJBHTTIRGRMYQK-MRXNPFEDSA-N 451.501 0.330 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NCc1ccccc1 1359474396 QXVFWUVDCPEGSB-MJGOQNOKSA-N 489.602 0.913 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1446145248 ZQJTXCQNXFLDFT-RDJZCZTQSA-N 457.535 0.901 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1503839972 SWCCDCJUYKDBEJ-GOSISDBHSA-N 475.575 0.583 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1517329311 IMEMXJKZLONIPI-UHFFFAOYSA-N 461.592 0.913 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CCO1 1517544847 LMWYOWFKBXXMQQ-SFHVURJKSA-N 469.546 0.985 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 1519530408 NDZLWSOFMBRFSA-IRXDYDNUSA-N 470.621 0.592 30 20 JCED C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1541815540 LTYDUZZNMLOGRD-MRXNPFEDSA-N 455.519 0.678 30 20 JCED CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1613442462 RXCGYDBMQWHIPB-UQBPGWFLSA-N 480.617 0.920 30 20 JCED CC[S@@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617431505 FVSFIILZVROASW-NMEJYPJZSA-N 477.616 0.542 30 20 JCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1696477830 KDQQFGUERCXOKI-UHFFFAOYSA-N 460.560 0.983 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1696629604 IGPXHRAZYNTNPO-MSOLQXFVSA-N 478.600 0.864 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCC[C@H](O)C2)C1 1698313032 RNJXEZPQHQNWLI-DRMAHVMPSA-N 456.544 0.604 30 20 JCED C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1751145157 PJMZBRMLSKPYBR-MJGOQNOKSA-N 481.623 0.462 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768298161 RCAQGGUNJGDIHA-UHFFFAOYSA-N 455.548 0.806 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCCN2CCCCC2=O)C1 1770349631 PXZCZXHXVXOWFE-SFHVURJKSA-N 479.607 0.754 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4CCN(C(C)=O)CC4)C3)C2)c(O)n1 1778352773 HYYMBBAMCSTZGS-RUZDIDTESA-N 485.585 0.513 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1778971092 HIOPWOBWUWCQSE-UTKZUKDTSA-N 457.593 0.061 30 20 JCED O=C1COc2ccc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)cc2N1 1779018578 AYRBCXWCMWTLGS-UUVZMSSXSA-N 455.515 0.933 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1779060981 LIINIPBEBAZTTN-SFHVURJKSA-N 464.412 0.870 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779440191 RUWMIXFELRXBPA-JECGJWKJSA-N 468.576 0.540 30 20 JCED Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn2[nH]cnc(=O)c12 1780019216 BCWGEXACQAYIAM-IBYPTGSDSA-N 455.519 0.246 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1780741332 VWSFQEGIKGWKPS-NPFVIJTESA-N 454.520 0.626 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c(C#N)c1 1781175811 BPTPVLSAGAGPCX-KNQAVFIVSA-N 461.540 0.516 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1781392934 GCGPKHAUYYDWBV-OMANQYLTSA-N 474.558 0.797 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(N)=O)C1 1781771764 IPKSMZJHFNONNK-YGKZAACZSA-N 464.563 0.682 30 20 JCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(Br)cc(F)cn4n3)C2)C1 1782559749 FFYPCLSRVFZWEI-KRWDZBQOSA-N 451.256 0.988 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCN5C(=O)C=CC5=O)[C@H]4C3)c2c1 1784804606 GPCKYINDWGJSCR-IEZWGBDMSA-N 476.493 0.343 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)n4[nH]nnc4n2)CCO3)c1 1785080171 SLHYDHNSOMQCIP-JLCFBVMHSA-N 462.470 0.197 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1785574820 TWLWDHKRAOWXTC-OPAMFIHVSA-N 451.520 0.686 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786702366 UAPPUSIKLBETRU-ATIWLJMLSA-N 450.536 0.640 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)C1 1786705478 HFLOAOVCAYNOLJ-AVEIZBFRSA-N 450.536 0.498 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786743413 HWMZDPQXIGBXDA-OKYOBFRVSA-N 478.590 0.751 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1)NC(=O)OC(C)(C)C 1786901426 XESGIRXYCXDHIX-VMXHOPILSA-N 496.605 0.888 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1788569981 ILVHTDMEEZPFOA-VMXHOPILSA-N 483.606 0.815 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cc(Cl)ccn3)[C@H]2C1 1788724627 LYKGWYXCCMPAJO-VGMXOEHZSA-N 462.934 0.952 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)c(Cl)c1 1790229819 AYQRBYOIEPRPGY-YEWWUXTCSA-N 481.900 0.850 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]32)cc(C(F)(F)F)c1 1790256867 TUKLXFMGYNCYRB-RUGDWHBFSA-N 481.475 0.763 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)[C@H]2C1 1790706853 IBOFZYQTSYFIHX-FJIDUMEYSA-N 464.563 0.361 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791071208 YXFMVNOYXUJLJF-DAWKRRPCSA-N 461.515 0.454 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1792170231 OVVCNYNSUOTOCE-FSGKZVOOSA-N 463.575 0.997 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)nc1 1794427048 PQHULCQASKXKDE-KXJCPHRKSA-N 463.560 0.160 30 20 JCED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1795277509 AEEZWRDSVXXTFX-HATOLVCRSA-N 464.547 0.533 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795412656 PCDLWAIYIRBIJW-CKOFKNITSA-N 462.547 0.640 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)n(C)c(=O)n2C 1796982834 GWWJKVGPLAFVGA-UPHUGPLXSA-N 470.526 0.590 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1)[C@@H]1SC(=N)NC1=O 1799325687 RNJRNJFBNVDILG-UGXJIPPFSA-N 473.530 0.632 30 20 JCED Cc1nn[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800907704 JKVRDEWTLMMBEY-OCVGTWLNSA-N 482.607 0.918 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1800987270 MSQUXOSBHFLKFP-AYDFFVQHSA-N 468.576 0.660 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2 1802125740 QHNSXONLPJALPN-DMUMMCEESA-N 482.541 0.849 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c1 1804191088 WZTHKJJOLSSIDA-HRAATJIYSA-N 464.457 0.964 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1805022796 HCVOGOLMOCMROR-KKSFZXQISA-N 470.507 0.429 30 20 JCED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1806613368 FJLRZNTXHDUNBH-WIOPSUGQSA-N 480.590 0.870 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807355936 ZURIIPUGQCHQDL-IEZWGBDMSA-N 465.514 0.705 30 20 JCED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2c2cccnc2)CC1 1807736136 DEENZJNHNKKNQV-RDTXWAMCSA-N 454.512 0.856 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CCC(N)=O)C2)CC1 1809686892 KVCRXNBZIKNMFD-ROUUACIJSA-N 477.606 0.727 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1811188003 XAXGQYIOWJFWPU-GCJKJVERSA-N 476.537 0.989 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1812878890 NBQWOIYYXJLXMO-UZUQRXQVSA-N 459.462 0.968 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)sc2C1 1817244178 WWBFRTKYQLYMSX-YCZVMHJESA-N 476.584 0.716 30 20 JCED COCCOCCOCCOCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822202279 NESHSWISWOWPPO-GOSISDBHSA-N 480.518 0.576 30 20 JCED NC[C@H](N)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828572217 LWZXVWLUEFIGAT-GBXCKJPGSA-N 453.543 0.138 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=N)N)CCN3C(=O)OCc3ccccc3)C2)CC1 1828969971 ZONVNFMUZCZLJC-HSZRJFAPSA-N 467.530 0.225 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1829262964 AIQSMGKWMFGXRX-DEOSSOPVSA-N 473.493 0.823 30 20 JCED CN[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCN2C(=O)OCc1ccccc1)C(=O)O 1829346288 RAIUMJFYTUCGPE-UQNRQAKVSA-N 492.598 0.820 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C(O)O)C3)C2)CCC1 1829451152 DWEOSWKMTZICGP-QHCPKHFHSA-N 456.499 0.443 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1829765057 FMOIUXXQLHUJSN-XQQSMPNESA-N 454.430 0.541 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831037959 AUSIKSHQNZEBHP-GAJHUEQPSA-N 485.578 0.921 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2)C1 1831136558 KBBYXVMKMOCJKM-NTKDMRAZSA-N 499.605 0.965 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2 1831319087 VMHAZOWEDKFSJR-UTKZUKDTSA-N 457.593 0.539 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(Br)n3)C2)C1 1831396046 HMVBQFCQRPCJKN-BTYIYWSLSA-N 496.358 0.961 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1831410594 CPHFPLPOYKQBBF-PRSVDJLGSA-N 475.542 0.891 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1831438261 NIFJAPHFIYLDQS-YBGOQADZSA-N 491.560 0.920 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4C(=O)c5ccccc5C4=O)CCO3)C2)CC1 1832535349 ZBDZAQRLYMPAAJ-DEOSSOPVSA-N 466.494 0.433 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1833476115 YECWQEMFTHGFTO-HDMKZQKVSA-N 465.620 0.952 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CS(=O)(=O)CC)C3)C2)c(O)n1 1833695640 DWTDHGFWMUNHBV-QFIPXVFZSA-N 481.571 0.411 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834251774 XWCPIGAPXFXHKY-SBUREZEXSA-N 475.546 0.407 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)CO2)C1 1834767246 OMVPVURWNZCDDC-HXOBKFHXSA-N 478.546 0.382 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)cc2C1 1835102846 MNPUTISZQWUSOL-SANMLTNESA-N 477.565 0.840 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOC[C@]3(C1)CN(C(=O)C1(C#N)CC1)CCO3)C2 1835346655 NPUNVPWNBNAUJZ-OSPHWJPCSA-N 485.541 0.382 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835494161 JRFLOAIPWNYRKU-MBSDFSHPSA-N 455.515 0.928 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO3)C1 1835641665 QJDBRZMKJLDLMH-WZONZLPQSA-N 466.579 0.651 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835667696 MZJCRQHBCJKBPQ-CYFREDJKSA-N 472.590 0.730 30 20 JCED C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835667699 MZJCRQHBCJKBPQ-DVECYGJZSA-N 472.590 0.730 30 20 JCED CN1CCN(CC(=O)N2CCC(N3CCC(NC(=O)C/N=C/c4ccco4)CC3)CC2)CC1 1835779018 LPWBHAGTCBTAQK-KOEQRZSOSA-N 458.607 0.518 30 20 JCED Cc1nc(N)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835804416 LHSUGHCYLZERCU-HXUWFJFHSA-N 450.565 0.386 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2ccccc2=O)CCO3)ccc1F 1835997915 FTSOYYRLQMOAEA-XMMPIXPASA-N 468.485 0.558 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cncn4)CCO3)C2)ccc1Br 1836139297 JRIDIZWHNCACRS-HXUWFJFHSA-N 489.330 0.682 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1837394843 KLUOIJUBZMWALU-YKSBVNFPSA-N 469.542 0.910 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1837469044 HFJMEMWWLNOJKI-GAJHUEQPSA-N 473.599 0.868 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1837529860 FHDHKOQXIGIFTC-KNUDPRRNSA-N 495.573 0.905 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1838435405 SYSXGBLXRPHQLL-OXJNMPFZSA-N 454.568 0.937 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(C(=O)OCC)c3)CCO2)C1 1838720601 VWOFOFZIDRFPQR-CYFREDJKSA-N 475.542 0.901 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4COc5ccccc5O4)C3)C2)c1 1838732202 GJWOKSYQKBXBFV-NZQKXSOJSA-N 452.467 0.796 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838798210 IEUQJLHDGBJVTC-JOCHJYFZSA-N 459.886 0.942 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NNc3ccccc3)C2)C1 1839172694 XCNITYUJPISXIK-NTKDMRAZSA-N 474.558 0.957 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COCCO)C3)C2)ccc1Br 1839401042 NTIJBDWLIGDVMH-HXUWFJFHSA-N 482.331 0.400 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNCP(=O)(O)O)C3)C2)c(Cl)c1 1839423596 MKOUSLOTCNONOL-IBGZPJMESA-N 486.849 0.006 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CN5CCCCC5)C4)C3)c2c1 1839488133 ZLVBZEKCAUDOOO-XMMPIXPASA-N 466.542 0.990 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1839840361 AMDNXHQGCLRKCL-VGOFRKELSA-N 465.572 0.908 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1839847201 YKLVPYOBFVVEMB-QQMNAOGKSA-N 482.578 0.424 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839891347 ABFRPYWZMYWCOC-IFXJQAMLSA-N 481.468 0.447 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccc1OC)CCO2 1839952437 FTJLOYSGRLNVBI-HMLKYZKVSA-N 457.527 0.553 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1)CCO2 1840008435 HKRGKRSYCCBWLK-FCHUYYIVSA-N 453.511 0.815 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c([N+](=O)[O-])c1 1840163271 FOZWAONNAHBXQS-RNODOKPDSA-N 467.500 0.770 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n(C)n1 1840819184 UVRQZRFIAQRBRM-QHCPKHFHSA-N 453.499 0.749 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2 1841603072 DHOOISIHMQCNNN-JKSUJKDBSA-N 451.520 0.685 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1846197016 KWOKVINBOWYBRY-PXNSSMCTSA-N 455.467 0.050 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1847068713 GQKCANSYSPOMJO-HOTGVXAUSA-N 453.561 0.684 30 20 JCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1847121840 OXAOGKBBHPQTOE-QGZVFWFLSA-N 464.563 0.860 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](COC)NC(C)=O 1847939430 FAWOEOCUGRGMSG-BDXSIMOUSA-N 452.552 0.809 30 20 JCED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 31581143 GVRGCLGUHISUBM-UHFFFAOYSA-N 451.368 0.829 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(C)c(C)c2)CC1 502018127 OHVZWPMACGADRA-UHFFFAOYSA-N 476.606 0.917 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCCSC)CC1 514754401 HDQDHVCQJWJXHF-UHFFFAOYSA-N 460.629 0.064 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C2CCN(C)CC2)CC1 518712496 AWJOKNJJOYTZLV-UHFFFAOYSA-N 466.611 0.239 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(N)=O 524282997 XWDBUWDNGGUWCR-UHFFFAOYSA-N 453.524 0.105 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(OC)c4c(c3)OCO4)c(=O)n2CC(C)C)CC1 590913583 IPJJXAWOUQLACV-UHFFFAOYSA-N 498.605 0.970 30 20 JCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 603464130 QOBGNNFMNJDKCR-NRFANRHFSA-N 485.541 0.969 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(=O)N(C)C 604269846 FSJRJRFWNWHPOR-UHFFFAOYSA-N 476.986 0.697 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 609074990 YZSHGFUJBINJNR-UHFFFAOYSA-N 464.469 0.541 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(-c3ccc(F)cc3)c2)c1=O 728556942 ARFNYVKZJLOKSW-UHFFFAOYSA-N 455.515 0.910 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nnnn2-c2ccccc2)c1 730681105 DZWGXKLHWVKMLH-XIEYBQDHSA-N 482.526 0.730 30 20 JCED COc1ccc(CC(=O)NCc2ccc(C(=O)NO)cc2)cc1S(=O)(=O)N1CCOCC1 746268514 KXALMYYROFVBGT-UHFFFAOYSA-N 463.512 0.694 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 750134148 NNYWHOJSWWAJRX-IBGZPJMESA-N 488.566 0.583 30 20 JCED COc1cccc2cc(C=c3sc(=C(C#N)C(=O)NCCN4CCOCC4)n(C4CC4)c3=O)oc12 839376900 LQYYKCKOVXMTNM-UHFFFAOYSA-N 494.573 0.951 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 917687963 HDFMPPZYITZWAE-VKWHMPGMSA-N 495.583 0.603 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C1CCN(C)CC1 920399023 LFWBEORMMXHYFV-UHFFFAOYSA-N 456.616 0.946 30 20 JCED Cc1oc(NC(=O)[C@H](C)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C 1167772202 JSBSSTIXKNDPRF-HOCLYGCPSA-N 451.549 0.016 30 20 JCED CN(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1298032690 PEZHLHKZHRLDOG-MDZRGWNJSA-N 455.560 0.393 30 20 JCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1505145426 PPCVECAKYUQHAB-MRXNPFEDSA-N 466.589 0.627 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC(=O)N(C)C 1692795002 NAOVRBQRFQDCDE-MRXNPFEDSA-N 474.591 0.565 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1710269351 URIBIAKZUCJCNF-QRVBRYPASA-N 482.655 0.233 30 20 JCED CN1CCC2(CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)CC2)C1=O 1711276291 UDVLLKIYGQFMTH-UHFFFAOYSA-N 457.560 0.815 30 20 JCED CC(C)C(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1723092268 XQEZKMQBRBIBIJ-MRXNPFEDSA-N 467.596 0.513 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3C[C@@H]3C)CC2)c1C#N 1725865020 UZJYGYDJZOHJFR-BPUTZDHNSA-N 461.596 0.785 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)c1 1729342970 VQESPPVYZNKOTL-MRXNPFEDSA-N 494.599 0.501 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)no1 1779122826 HCYWESFOUCDSEH-HSZRJFAPSA-N 458.515 0.241 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779134905 PVJJCTHPADWKJP-ULOGJSGDSA-N 469.498 0.535 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779874335 YVHSXYSDTNDKLS-CMJOXMDJSA-N 488.545 0.488 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])C2)C1 1780119573 ZPSWGWCFRSLGFD-XBKFQHLESA-N 471.514 0.963 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1781310419 LTBPBVTZKWTJJP-XXBNENTESA-N 493.582 0.732 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)CCOCCOCCOCCOC)C3)C2)C1 1781379876 GUWKBOLDFKSVGQ-QHCPKHFHSA-N 454.564 0.869 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)C2 1782010901 KSCPMPOXJBTVQC-JTUHZDRVSA-N 473.551 0.699 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 1782966565 KKPBFSUTAJEORA-QJKPHDSHSA-N 460.462 0.965 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)CC)C2)C1 1783094816 XUOHIODYBHWCCY-QMHKHESXSA-N 496.561 0.601 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1783921476 IILXUPCSAYJILK-WDSOQIARSA-N 455.898 0.596 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1785427582 FQJHFWXRDMUULI-MHECFPHRSA-N 478.590 0.991 30 20 JCED CN(C)C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C[C@@H]21 1786743683 IWOVCYFKFWUGSS-YHUYYLMFSA-N 486.635 0.656 30 20 JCED O=C(CCN1CCOC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1788137896 ZBLWUJFJGKNSBX-FXRWFHILSA-N 452.508 0.337 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1788576412 SLWGPNYNASRPCD-CHAZSLEPSA-N 495.617 0.911 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1788658117 LMBSNEMNVVZGQD-SLJHHOFSSA-N 452.552 0.217 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ncccc4n3)C[C@@H]21 1788659854 VYJDBCFLEHFATP-IOBXQYEZSA-N 456.503 0.852 30 20 JCED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)cn2[nH]cnc(=O)c12 1789176480 OHURWSAXQGGGRL-SZMVWBNQSA-N 469.546 0.206 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C[C@@H]21 1791078883 DXOCADYAFRLYTD-ZULIPRJHSA-N 496.568 0.335 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2 1793595540 QSXNJDZSNPVFAW-ZHCJQAHYSA-N 467.567 0.492 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1793821289 QXEJUFMXRSSNEK-ZSBFGKGUSA-N 468.539 0.693 30 20 JCED Cc1nnc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)s1 1794106092 IUHYHTRMORPZSE-KTBCIGELSA-N 451.549 0.898 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1795598237 KWOQDQVOBSPRET-UPHUGPLXSA-N 481.553 0.544 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796347108 FPBTWOZIUMMBSP-FSDCSDTHSA-N 491.545 0.951 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796444400 SPHHUIWWNOVYCU-PQVZQDFCSA-N 469.585 0.404 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 1797279479 JETAOZIUIRUKAR-GZXWBTJBSA-N 467.538 0.963 30 20 JCED O=C1Nc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)cccc2C1=O 1797541332 KKAZMWJVKGOLFY-WXKQYWHFSA-N 470.482 0.554 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1)C(C)(C)S 1797686697 MKSCQAYVQFEKPL-NOXHYTERSA-N 483.591 0.054 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc2c1OCO2 1798476308 SUEQIILAFKJFTN-MVJTYMMSSA-N 486.525 0.930 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1799232226 WIJIABHUKHXEPR-ZMMAXQRCSA-N 485.603 0.317 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1799321926 RWLNRDMKAZEMIT-OREBXVKISA-N 482.578 0.498 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCS2(=O)=O)c(O)n1 1800389413 SWQUOGCTBQAVTC-QXGSTGNESA-N 463.556 0.686 30 20 JCED COC(=O)[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2)NC(=O)OC(C)(C)C 1800909138 MVDBNJDUUATTJB-JYYAWHABSA-N 466.535 0.582 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCS(C)(=O)=O)N(C(=O)OC(C)(C)C)C1 1801533149 RFABEZSAZREODO-ZMMAXQRCSA-N 485.603 0.576 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)[C@@H]1c1cccnc1 1802487287 HCRMICCRESKMQQ-DHBQAXNYSA-N 468.602 0.582 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1804301647 HTCOKDQNQWWUCN-LOUJCGABSA-N 451.476 0.169 30 20 JCED O=C(Cn1ccncc1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1812343380 XIECMSRPMUMIHP-GBEXMBHPSA-N 468.514 0.873 30 20 JCED C=CCOCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816668673 PEHHIPBQSDQXMM-LLVKDONJSA-N 458.504 0.478 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1819454257 GVKWSBYOBZIBQD-JWSXYRIDSA-N 464.523 0.581 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(C)=O)C2)C1 1828494570 OPSDTYWMHCFCEX-JRUKXMRZSA-N 482.537 0.886 30 20 JCED CC[C@H](C)[C@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828588541 BVDKVVRGNBULSD-KDSXSNECSA-N 485.537 0.934 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828632313 JYMNKXQCSWBFQS-CLOONOSVSA-N 495.536 0.450 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCN2C(=O)OCc1ccccc1 1829134038 WFMOEEPXQFVZPK-SQJMNOBHSA-N 499.520 0.567 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904024 KNDZZTCLAZOROD-UUOWRZLLSA-N 456.543 0.862 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnc3ccccn13)CCO2 1830661159 CNNLAFFWERVYLM-XDVNXWPMSA-N 485.541 0.862 30 20 JCED CCn1c(-n2nc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2C)cccc1=O 1831216046 WZYBBCIBMXFKBT-SANMLTNESA-N 493.564 0.846 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4sc(N)nc4c3)C2)C1 1831393719 NUCDVGFPLZLOGA-QRQCRPRQSA-N 458.540 0.987 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)no1 1831486384 CMPRNUWVLJYHHY-AZUAARDMSA-N 454.549 0.722 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831989945 PASXLEIKCMQNRY-JOCHJYFZSA-N 452.552 0.456 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1831997691 FDYYGWHAADNACN-BTYIYWSLSA-N 485.607 0.539 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)c3ccccc3C1=O)CCO2 1832536063 WLYSXDPODCYIJM-XMMPIXPASA-N 453.495 0.543 30 20 JCED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1833509494 NDGCPXHURDKSJU-HSZRJFAPSA-N 469.473 0.809 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1833565501 NAHRYIJJQIPLAM-DEOSSOPVSA-N 498.561 0.882 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)NCC(C)C)C3)C2)c(O)n1 1833698303 DNBFSSRSRNKSRG-XMMPIXPASA-N 474.558 0.748 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c1 1833763192 QKMNKKCUINJHHH-LJQANCHMSA-N 452.515 0.342 30 20 JCED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834764813 CXRKODIDXRNMFR-LJQANCHMSA-N 470.935 0.695 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)=NO2)C1 1834766983 IUIUAUSMXIXPEU-GOTSBHOMSA-N 491.545 0.512 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835352055 LQXAMRMOHMOCTJ-XMMPIXPASA-N 470.526 0.527 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN)CCO2)C1 1835551858 YZQBTIWVBXLUJE-VGOFRKELSA-N 452.552 0.098 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCC4)CC2)CC1 1835607777 HWKVGFCANZBPGU-WAYWQWQTSA-N 454.575 0.873 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c(O)n1 1836205409 RKHJMOPTBVMWKW-QFIPXVFZSA-N 456.503 0.268 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1836861209 RCHFIKFTVQZDKN-FQEVSTJZSA-N 460.619 0.803 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836988771 FQBPBIJOVGWJQL-HJPURHCSSA-N 459.499 0.679 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1836993569 ZQEUQBDOUHZLFN-RBUKOAKNSA-N 467.611 0.740 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837169910 USXVNYGVBZBDPX-DBNSOCDESA-N 452.471 0.511 30 20 JCED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837243059 NWBAHWLWUGTYMM-FLASPHMUSA-N 477.583 0.724 30 20 JCED Cc1cnn([C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837493629 NILKZOQMXNEGKQ-GBXCKJPGSA-N 458.559 0.908 30 20 JCED C[C@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529639 XCBMKPOOGHVWHM-JSLWAVJJSA-N 481.575 0.929 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)(C1)C2 1837531162 YAEBMRFVARSUJP-YIQAILQLSA-N 479.530 0.315 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837845501 AMDPZXZHEVSFNS-KDGIGMFRSA-N 450.467 0.820 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C)nc1C(F)(F)F)CCO2 1837957885 QZKMXUNFIHLPJE-BBIZLLLXSA-N 485.463 0.367 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838791529 DCGGOCNEKVIXOG-MBSDFSHPSA-N 453.499 0.376 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)N1CCN(C)CC1 1839103799 XLTGVTYQAQPNPN-DFBJGRDBSA-N 487.576 0.332 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)N1CCN(C)CC1 1839104634 IGCKXWIFXFLENA-CPJSRVTESA-N 485.585 0.029 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839130997 HBNDPGLCQRJSFM-XUZZJYLKSA-N 472.542 0.480 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(OC)n3)C2)C1 1839174389 YPSMOMSASIIXCZ-XMMPIXPASA-N 475.542 0.989 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1839477048 SYIWSEYOTZKTPO-HXUWFJFHSA-N 453.492 0.603 30 20 JCED Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n1 1839487866 ZGQKQNLTSUQIKI-QHCPKHFHSA-N 463.498 0.710 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)cc2C1 1839621564 FOHGQGYEHNUUKP-XMMPIXPASA-N 487.605 0.070 30 20 JCED CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1839642498 QZJRYEVHYMWEDI-UUOWRZLLSA-N 458.559 0.906 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)c1 1839652296 XRZKYSLSTGMKDJ-HSZRJFAPSA-N 451.483 0.757 30 20 JCED CCN(CC)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839676934 ZZOKWXUAXYKNIE-AUSIDOKSSA-N 451.612 0.703 30 20 JCED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1)C(=O)C(=O)O 1839703560 RKLVQWFJEBINAV-JOCHJYFZSA-N 481.622 0.037 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840008756 QBXNZUWZIGUSLN-SBUREZEXSA-N 463.531 0.102 30 20 JCED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc2c1-c1ncccc1OC2 1840042077 YVEOMUZTFZXGEC-DEOSSOPVSA-N 480.477 0.138 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1)c1ccc(O)cc1 1840221078 UPFNSWXYQKUHMK-GBXCKJPGSA-N 460.527 0.355 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251647 RBNXRBZXTSIYOC-CYFREDJKSA-N 489.573 0.974 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1 1840716901 WZXWGSMIAVZVKF-PWAGRJGVSA-N 454.527 0.910 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC1 1840817717 QSNFIOWPCNPYCU-QHCPKHFHSA-N 473.530 0.825 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1840820866 NMHBJSWOZJRWQN-HXUWFJFHSA-N 484.431 0.072 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1841054489 HIYFOMUWTSMAHJ-OPDSQHBBSA-N 476.574 0.666 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2)Cc1ccc(C#N)cc1 1841918180 NLZOWFWFCGSRAG-UXHICEINSA-N 484.601 0.874 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OCC)C1 1844160882 GNWLPYVRAHEDQK-LSDHHAIUSA-N 452.508 0.171 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1844239872 FBBMKXSHPAJUOM-QGZVFWFLSA-N 478.590 0.842 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1)C(C)(C)S 1844297777 HADHFECRTCACFD-NVXWUHKLSA-N 486.635 0.442 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196933 DVDIXOOVTUQUNU-HZPDHXFCSA-N 477.514 0.324 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)[C@H]1CNC(=O)C1)C2)C(C)(C)S 1846301950 ODIRNMYOOUUUOL-UKRRQHHQSA-N 454.593 0.928 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847547911 GVLHBFUUJAXSSO-PMPSAXMXSA-N 494.545 0.694 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Br)cc2)c1=O 480155869 VVUWOTGYDGOSKB-UHFFFAOYSA-N 477.384 0.161 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)ccc1OC(F)F 489224956 JSQVBXXRHAEKJZ-ZDUSSCGKSA-N 465.478 0.855 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3ccnn3C)c2=O)CC1 560853545 WVRHAUGNHFLELE-UHFFFAOYSA-N 452.540 0.322 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OCC)cc2)c1=O 603796748 NILGJKUDNYCFPO-UHFFFAOYSA-N 470.595 0.670 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1CC(=O)N(C)C 604270453 OUWTVRIBCWTAOU-UHFFFAOYSA-N 472.567 0.052 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2OC(F)(F)F)c1=O 613083404 CRLDVUTZBMERJH-UHFFFAOYSA-N 482.484 0.297 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c1=O 727164933 SYJFLPFSWUTXFN-UHFFFAOYSA-N 480.955 0.300 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1 728533258 ZHPURSHSBXEIEQ-UHFFFAOYSA-N 488.614 0.133 30 20 JCED CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 913243238 QUPCHWQYXHILSU-MAUKXSAKSA-N 450.517 0.128 30 20 JCED N#CCOc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 915711298 KOKXMCJZKJCLKM-UHFFFAOYSA-N 479.540 0.775 30 20 JCED C[C@]1(C2CC2)NC(=O)N(CC(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 917013065 GWBQDAMKVGTSGA-HTAPYJJXSA-N 468.470 0.673 30 20 JCED N#Cc1ccccc1OCc1ccc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 917327385 IQEJWIBDGLGHFK-CQSZACIVSA-N 461.452 0.900 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCCN2CCOCC2)c1 918269390 DFEPLCZKKQEXIL-CLCOLTQESA-N 465.576 0.667 30 20 JCED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 918437711 LSGXXLCITRYITR-UHFFFAOYSA-N 498.565 0.912 30 20 JCED C=CCOc1ccc(/C=C\C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1OC 919986466 NLMGTLYFQWSSFY-LZCIBIBXSA-N 484.596 0.934 30 20 JCED CC(C)(C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1cc(F)cc(C#N)c1 1293906036 MBFLHPBQUXXCJN-GOSISDBHSA-N 450.536 0.422 30 20 JCED N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1316541288 VUQJEUORACTGKV-LPHOPBHVSA-N 467.935 0.789 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N2CCCC2)CCOCC1 1360681064 MUERVAPLDREQFC-QFBILLFUSA-N 469.587 0.975 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 1444420653 YRPLALGNQUCYGZ-MSOLQXFVSA-N 456.572 0.947 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1=O 1504926639 RZEPFWGOJNZZQF-GOSISDBHSA-N 488.570 0.458 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1 1508423905 JJBLTYCOGTZUHQ-VCBZYWHSSA-N 452.537 0.708 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCCS1(=O)=O 1509686164 XJHJHTDASMMPQR-GOSISDBHSA-N 486.602 0.977 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1519530413 LXOCVMHAUUNRQY-MRXNPFEDSA-N 464.573 0.333 30 20 JCED C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 1539767237 NXEGTTHXSVCZKQ-QZTJIDSGSA-N 460.560 0.636 30 20 JCED CC(C)(C)[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541235658 ZASUGKACJBIVRD-LJUVRZIDSA-N 468.649 0.904 30 20 JCED COCCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1619762899 JAKDLXQDMRBSDY-CVEARBPZSA-N 456.569 0.402 30 20 JCED CCCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1695205190 LUDGWWMOGUWUFG-APWZRJJASA-N 457.576 0.785 30 20 JCED CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1695939335 WPXLCGWETFVBOS-SFHVURJKSA-N 486.602 0.950 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1698316501 PFVZSUYRAIDONB-NRFANRHFSA-N 460.560 0.734 30 20 JCED CCOc1cccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1710547078 NZPBBRPSEJXTPU-VQTJNVASSA-N 490.586 0.981 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722557721 ZOUMFFSNTACNCN-AWEZNQCLSA-N 452.002 0.698 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CCO1 1748223888 XVXRRCZGBYEBRZ-XHVUARLKSA-N 472.571 0.981 30 20 JCED COC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1769232718 VPQCECZGZBSEFS-WBVHZDCISA-N 495.581 0.887 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(O)cc2)C1 1770351584 USUFPAHWRGDNBQ-ROUUACIJSA-N 462.532 0.288 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1778969163 DSHYLFWRZHRGMZ-QZMQVMSPSA-N 468.595 0.632 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1781061944 CCIOOZAESGNXKE-CALQCPNCSA-N 455.577 0.913 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1781169421 PAYZJLNFLSYMPY-PNCHPQGNSA-N 489.577 0.761 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015668 KENOJAIOACFCGD-ZDPRRSKRSA-N 481.521 0.936 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cnnn2)C1 1782611108 MNGNEYOOXUCFFP-VOLVWJTLSA-N 489.577 0.665 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)C3)C2)c1 1782812991 UOUCVLMRSBYJNK-WRALFONMSA-N 463.538 0.965 30 20 JCED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783100083 WBSAZTYXMXADRA-WJONJSRFSA-N 483.587 0.845 30 20 JCED O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1783247915 HXBLPZIXIZWWGG-OJRJKXOASA-N 498.627 0.890 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1783535798 UKSKSIDOFZTYRD-AKSSPNHOSA-N 494.564 0.784 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1785515201 KEVCMRLXXDELFG-NYHFZMIOSA-N 464.519 0.576 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1785576940 RMDHOCWYNWAFGY-DFIYOIEZSA-N 491.633 0.369 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1785577653 PJTPCESUAUIJAW-VBKZILBWSA-N 491.463 0.838 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1)NC(=O)OC(C)(C)C 1786809281 MXRNFZREBZKVBI-QAETUUGQSA-N 466.583 0.309 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)N1CCN(C)CC1 1788660289 HAYCEBPQUSOKJT-OQIYLARESA-N 465.595 0.131 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=N/O[C@@H]5CCCCO5)[C@H]4C3)CC2)CC1 1788660394 MPTOAHNOFSHZFL-AAGQDYDCSA-N 477.606 0.275 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1)c1ccc(O)cc1 1789766111 UGLRRMWTBJLEKH-PPSMKJHDSA-N 455.555 0.592 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)n4ccnn4)C[C@@H]32)c(C#N)c1 1789843466 MVSXKSODPKSWIL-OQRYQMPQSA-N 452.515 0.942 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCNC(=O)OC(C)(C)C)[C@H]2C1 1789853271 FUTCPSFHXIJONJ-XWSJACJDSA-N 467.563 0.546 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790225594 YMYZYMRGNYJHPN-UJNZZBMASA-N 466.535 0.618 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078175 XMAJFWNWBKBPLL-WGGDXAINSA-N 489.569 0.994 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21)NC(=O)OC(C)(C)C 1792110857 UTLWSSHMGIVJNY-RDGPPVDQSA-N 469.579 0.835 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 1792256532 FISXVYLTRJMMKZ-DWRORGKVSA-N 489.573 0.939 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)nc3n[nH]cc13)C2 1792488555 IECXOCDUYYOPAR-JCXHYCBLSA-N 458.906 0.673 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1793361175 JVYAXOXLNYTKAB-IHEQNBGGSA-N 474.558 0.803 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793415561 RGMZAXDOVAXXJG-DGADGQDISA-N 452.508 0.154 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOC 1795353122 VBFOEIKYKIQIDD-SFNKJDCFSA-N 455.552 0.708 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSC(=N)N)CC1 1795506224 GSQWPYPKXZYGBN-SCAQPMJSSA-N 494.618 0.744 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)C1 1797117275 PTKWRQARCPTRLB-XMTFNYHQSA-N 462.547 0.906 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccn2n1 1797382175 WDUWLQAZYIUAIS-CLWJZODNSA-N 482.541 0.849 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C)C2 1797949490 PYWHETRHCBIZST-PQTWZCJSSA-N 476.574 0.736 30 20 JCED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)C(=O)O 1799614217 XFBLRQUCPMKHQT-ACHVPNTGSA-N 489.528 0.833 30 20 JCED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cn4c(nc2=O)SCC4)C3)cc1 1799643492 HQTUESGXNYVSMF-CEQLMSFQSA-N 479.562 0.861 30 20 JCED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)ccc2F)c(=O)nc1O 1799750726 LVDPLUIQONZVOP-CCWDJLKJSA-N 455.446 0.172 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1OC[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]31)C2 1800454866 LWJBYPZCJYKENY-LQTKSXFJSA-N 461.559 0.871 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]13CCN(C(=O)OCc1ccccc1)C3)C2 1800779077 RGKISIUXAPQMAW-WHSYQREFSA-N 495.532 0.713 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 1802124630 CSYHZVLOHYRENU-XMTFNYHQSA-N 487.557 0.507 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)n(C)n1)C2 1802125741 QHTCXMRGCVBHTG-RCJHGTSTSA-N 475.546 0.549 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1802498745 PVFVJBPIOSXHNW-NOABYQSRSA-N 480.525 0.217 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807026359 SGKDJLMBRXOPCI-BQFCYCMXSA-N 454.464 0.385 30 20 JCED Cc1ccn2c(=O)c(C(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)cnc2c1 1809395056 BMMOBOQEXLWHMG-JTSKRJEESA-N 459.462 0.806 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CNCP(=O)(O)O)sc3C2)c1 1814768145 QOBGKEHGUMGKSI-CYBMUJFWSA-N 479.455 0.974 30 20 JCED N#Cc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)cc1 1819877030 NLHWMQHRXAGYSX-KKSFZXQISA-N 455.540 0.820 30 20 JCED COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](O)N4CCOCC4)sc3C2)c(C#N)c1 1819891449 QQSPETIEBKBPMD-KSFYIVLOSA-N 485.566 0.829 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)CN)C2)C1 1828494340 IEARFIZFDFMHMB-QCZWLBJLSA-N 497.596 0.892 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCN2C(=O)OCc1ccccc1 1828590316 WVIUJYQJJAWTQS-JTSKRJEESA-N 455.471 0.461 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)c1cccnc1)CCN2C(=O)OCc1ccccc1 1828632053 BJRFFGAUGBOAQS-AREMUKBSSA-N 489.532 0.897 30 20 JCED CN(C)C(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828931723 HRQQQPKXPJTIBA-RUZDIDTESA-N 466.538 0.940 30 20 JCED C#CCCCC(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990385 OLUWGCVCHMMYPB-HFZDXXHNSA-N 497.596 0.835 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334773 NKAITALYWFVDIU-OSPHWJPCSA-N 484.509 0.051 30 20 JCED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630880 CVIOLOVRZICGRT-XMMPIXPASA-N 456.543 0.719 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O)CCO2 1829692021 QXLLSUIYYLYIFG-NGXZDTIWSA-N 493.601 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 1829773407 IOODFRGBTYJVET-QDFBPKLPSA-N 458.515 0.164 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CCO2 1830385742 RKLHIOLSOSTHLU-SHVMMJTCSA-N 499.630 0.518 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1831409054 JKFTZPRPPZFIQY-DEOSSOPVSA-N 471.510 0.874 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1831435553 UVKIYGIMRLQMTR-IEGUWTFLSA-N 485.578 0.310 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832109573 PLLBMXDTTSLRQX-VFNWGFHPSA-N 478.575 0.899 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)c(O)n1 1833698333 GJNDJAQBRGIDQB-XMMPIXPASA-N 493.524 0.727 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834603725 WIKYLLLIUPJDHZ-HXUWFJFHSA-N 455.563 0.332 30 20 JCED O=C(CNCP(=O)(O)O)NC1CCN(C2CCN(C(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1834663889 SOACCUPKMSELJT-UHFFFAOYSA-N 496.932 0.988 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1835167130 CTYRKGAFLXEBRZ-XLQQFJOYSA-N 471.510 0.273 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C[C@@H](N)c5cccnc5)CCO4)C3)c2c1 1835834619 OYMZBXYCGNWMDG-CJFMBICVSA-N 489.536 0.990 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1835844661 MQWXIOODJMDAMR-QHCPKHFHSA-N 485.585 0.903 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3[nH]cnc3-c3cccnc3)CC2)CC1 1836098948 YUQOLLGKHYZOQT-UHFFFAOYSA-N 450.499 0.745 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837385374 QLFRSWPNZKCUAR-CMJOXMDJSA-N 483.529 0.212 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nc2nccn12 1837445916 BULQDGACFXSIQB-RWOVVYLESA-N 469.546 0.579 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837488505 IHDVJBHPXLNPDT-VWLOTQADSA-N 484.553 0.809 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1837493759 VZDOSFSMYZUVRB-MCCBOCGNSA-N 454.527 0.645 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837565297 RIEARFVAOJBCCA-DGEAWOGYSA-N 481.546 0.225 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565755 ZYFYAOKQQGMYTI-CUDRYGEXSA-N 451.476 0.717 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(=O)Nc2cccnc2)CCO3)c1 1837626886 LDEPFYKQQDKABM-RUZDIDTESA-N 477.521 0.981 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837728141 URWQJOKKPHUQAM-ZJSXRUAMSA-N 472.542 0.098 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1839175694 ZIQZUEAOWWGIJN-GOSISDBHSA-N 475.424 0.403 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)N1CCN(C)CC1 1839488841 IAJQKECOIJJKGG-BVZFJXPGSA-N 495.584 0.140 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839773813 OPVJVMCRBBVIFO-AWUWGNNVSA-N 495.573 0.905 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4c5c(c(F)c(F)cc5c3=O)OC[C@@H]4C)C2)C1 1839808467 QQYDBINZRDPFCP-LFPIHBKWSA-N 487.459 0.936 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5(O)CCCCC5)C4)C3)(C1)C2 1840005655 MSLREDVCALWVLN-RVMZIBIISA-N 474.554 0.485 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840036815 VMTZNEPDBJLKCR-UJXVZYGKSA-N 469.538 0.944 30 20 JCED Cc1nc(-c2ccccn2)sc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042083 YYYZHAMYDKVLAW-JOCHJYFZSA-N 470.507 0.672 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCCCNC(C)=O)NC(=O)OC(C)(C)C)CCO2 1840079502 GSKFYLZLLQQUFL-CYFREDJKSA-N 494.589 0.276 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1)c1ccc(O)cc1 1840220922 KJVBWWVTYNROEZ-FDDCHVKYSA-N 453.499 0.778 30 20 JCED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840431581 LKOMINQSWQGBQW-GBXCKJPGSA-N 458.559 0.674 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840817964 CUVBVMJXYUSSJY-AUSIDOKSSA-N 458.515 0.308 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1840906913 LHRCDELWCWTZDC-NXMSCROESA-N 494.589 0.274 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1nccnc1C(N)=O)C2 1841747356 OCQPVLDBCDGNBZ-CQSZACIVSA-N 458.519 0.862 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843348060 FJEOUCFSTUGOMJ-OALUTQOASA-N 470.574 0.483 30 20 JCED CC(=O)NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845876075 ZEJQLSGCMYHETC-HXUWFJFHSA-N 482.537 0.383 30 20 JCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(CC(C)C)c1=O 514645035 IMLZWTSLFBTDCI-UHFFFAOYSA-N 454.596 0.826 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccccc3Cn3cncn3)CC2)cc1 516407654 KMUYQNPNHXZWKH-UHFFFAOYSA-N 479.522 0.670 30 20 JCED CS(=O)(=O)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 555379166 QONQNWKFLDGAJB-UHFFFAOYSA-N 476.580 0.584 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1CCc1cccnc1 609038133 GLAFNERZMDINEG-UHFFFAOYSA-N 494.573 0.830 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1cccs1 727815103 WYBFDYLKHBGBDC-UHFFFAOYSA-N 471.608 0.830 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CC1 728534015 CYGWJZLENOJZDL-OALUTQOASA-N 490.626 0.869 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnc4ccccc34)c(=O)n2CCOC)CC1 731352334 IWQLKRUDYYNCOI-UHFFFAOYSA-N 477.590 0.772 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)n1ncc(C#N)c1N 746889098 ODHFDPYQVCKOQI-UHFFFAOYSA-N 494.555 0.379 30 20 JCED Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 821693389 PBNOJXATJNZYSJ-UHFFFAOYSA-N 483.510 0.808 30 20 JCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)Nc1cccc(C#N)c1 914666461 YRMVAAKNDHVLCA-CQSZACIVSA-N 456.480 0.863 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2I)c1=O 916196067 MBRNNHYBZMAPEM-UHFFFAOYSA-N 495.342 0.966 30 20 JCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 917033198 BYWRGHPYJBZFJP-FQEVSTJZSA-N 484.534 0.497 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(=O)NC(C)(C)C 918824588 PEOFYNKDCLOOGZ-HNNXBMFYSA-N 466.560 0.714 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CCO1 1315019037 YAPZFVBBUCJEGO-KRWDZBQOSA-N 474.543 0.257 30 20 JCED COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)OC 1315800031 SEHVROBAHNOSSJ-NRFANRHFSA-N 483.573 0.459 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCS(=O)(=O)C2)C1 1692854580 RYSRXSYWFAJEPG-JTDSTZFVSA-N 486.620 0.176 30 20 JCED CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1710973414 TWRPFFFHNQZNRM-MOPGFXCFSA-N 472.571 0.853 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CCO1 1711368531 JFWWCVFNRAIEFO-QRFQSNJMSA-N 456.503 0.220 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1729689899 PJMYQUAKTDUKQF-HNNXBMFYSA-N 463.445 0.061 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1779000296 SNFQVYTZXHNGRR-WIYYLYMNSA-N 453.612 0.932 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779303407 DLGKOAUEQDXZBB-XSSDXNQZSA-N 477.562 0.846 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779365490 DSYPXKIKBKLRNX-GULRJVMGSA-N 457.535 0.175 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779397351 DTKSCMHDMWBMGJ-PIBDYAPNSA-N 497.596 0.807 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](O)N3CCOCC3)C2)c1 1779415186 FVLBHHYFSDWLQL-WTIAFYNJSA-N 460.506 0.475 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780202464 WHTMYDGQUCNTSR-AMFJNGDOSA-N 480.481 0.834 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)N1CCN(C)CC1 1780639276 YXVLPPLTJNAXRY-NSICVPBBSA-N 462.639 0.608 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1780762330 DPLPBSRUIXSKMF-KHCICDEESA-N 475.542 0.682 30 20 JCED CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1781471590 YRQKDDRJMMNOGV-NUCBNXIXSA-N 469.608 0.513 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)cc(C(F)(F)F)c1 1782030677 CCGRIIKYKOVVHR-QRWLVFNGSA-N 479.415 0.619 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CCN5CCOCC5)CCO4)C3)c2c1 1782195240 YFDKYTKAZDIGCD-HSZRJFAPSA-N 452.515 0.600 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCc3nc[nH]c3C2)C1 1782453425 YHKFUOWUOJUQDP-KBZOJFBFSA-N 455.559 0.887 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782845713 UINJGDFVVYRJQK-SVHGCHISSA-N 481.475 0.832 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565737 YCMXWRVTYBMVNH-SFTDATJTSA-N 453.467 0.253 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2)C1 1783768096 IKTUEJQBSHSAMX-SEPYTNNBSA-N 481.594 0.993 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1783862878 RAIKTKAAMPFPHZ-HFFXXBJSSA-N 491.676 0.946 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1784373707 VJAIEFQNKCURRJ-QPPBQGQZSA-N 482.516 0.540 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C[C@@H]21 1784486146 ZTYRRKQEJFGSIY-YTEZWJELSA-N 479.574 0.688 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)NC(=O)OCC)C[C@@H]32)c(O)n1 1785773449 HGVIVPIXRXTSSK-CBJWQOIJSA-N 476.530 0.564 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787496414 WWQNQDLOGGGCRU-KVPCJWLVSA-N 464.592 0.240 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(-c4ccccc4)n3)[C@H]2C1 1787582982 AHBMFZCEWADSCM-WSRLLZAVSA-N 464.526 0.719 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)C1 1789808406 COSMOJRCUIJKCY-GCLMUHHRSA-N 487.557 0.707 30 20 JCED CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/O[C@H]5CCCCO5)C[C@@H]43)cc2C1 1790524563 HRWHBPZONARILH-FDOMHEKLSA-N 488.589 0.841 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C3)C1 1792442557 OJJPSZVBSBVPET-SFNKJDCFSA-N 465.547 0.999 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1793313816 LTDOYOBGJUTQPO-WMIGDMCZSA-N 478.571 0.027 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1793384147 OAADKLPSZJTKCM-RMHZUWNSSA-N 470.555 0.728 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc2CN1C 1793824458 MLHHPCKFLOBZBJ-CQXGLVPUSA-N 452.555 0.491 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795729970 OMWDZBSCXJJLLS-CWPLJXCYSA-N 470.606 0.672 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795893245 VVHMQDMBJCRTDN-XAPVIXHLSA-N 482.541 0.739 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccnn2)ccc1Br 1795893978 NLCAOXPHYZZAFS-JLVBRIDZSA-N 459.304 0.816 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O 1796321236 REZUPARJKJAVLB-APAFKAMOSA-N 493.605 0.720 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C2CCN(C(C)=O)CC2)CC1 1797281075 XJHVMMUVTGNVCC-UWSZBUKDSA-N 490.645 0.890 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)C2 1797703764 CREDJUOCMJBSOU-VQQMMKBISA-N 487.601 0.864 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc(C)c(O)nc2=O)C3)c1 1798580077 KOXBDCZTYNDUAZ-XEMDLRDOSA-N 467.482 0.041 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCNC(=O)OC(C)(C)C 1799258836 BJHCYALSRIEQEJ-ZMMAXQRCSA-N 469.579 0.690 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(=C/c1ccco1)NC(C)=O 1799687786 RMHFLNRVFZZGEN-QGEGXOHDSA-N 459.499 0.856 30 20 JCED Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(Br)c(C#N)c2)n1 1799708243 HCEUDZVPSQCRFS-MIFYACCESA-N 459.304 0.966 30 20 JCED Cc1c(Br)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1[N+](=O)[O-] 1799849327 PQSKNQWHGCZXEV-IVWMJMPLSA-N 480.271 0.957 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O 1800537103 WCRIPZYZIFGEII-WGHOHENRSA-N 464.563 0.570 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1800741383 XPTOILUDHWJAFG-CSDLJKASSA-N 491.585 0.496 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 1800872158 LMRHBOFJYDWUQN-PZTGFMGMSA-N 498.001 0.636 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2cccnn2)c(O)n1 1801345490 KBVBHIWBLBNRSM-VPTLXERWSA-N 453.499 0.978 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC4(CCCN(C(=O)CN5CC(=O)NC5=O)C4)CC3)c2c1 1806697183 VAEJMFPPRFVXSW-UHFFFAOYSA-N 463.498 0.831 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)Cn3cnnn3)C2)CC1 1810160897 FJPWSQIEWNBWLH-KRWDZBQOSA-N 459.551 0.821 30 20 JCED C#CCCCC(=O)NC[C@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1813046906 PNOKJPFMYXUZCE-NQIIRXRSSA-N 491.552 0.338 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1814212765 ORWQMTQSUUMTHO-OIMWQHCXSA-N 460.531 0.868 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCOCC1)CC2 1819898667 MSNQROHIGJBYHX-ZXGPMVCASA-N 451.549 0.916 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)cc1 1829630833 CJNOCDXAMITZQB-VWLOTQADSA-N 480.521 0.970 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)n1cncn1 1829635480 JNKPUOBAQBZOCS-FDDCHVKYSA-N 452.515 0.800 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCSCC4)CCO3)C2)c1 1829713416 MZAFUHSBXLEQMM-QHCPKHFHSA-N 474.583 0.686 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1829771537 UXUBKSKBHYTNMH-CVDARJQLSA-N 494.548 0.211 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1 1830051061 VIZPOOCXNGRUOW-MBSDFSHPSA-N 492.598 0.668 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830675629 HQVSFEQVVIGHAA-ZMXFDXOUSA-N 497.596 0.597 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H](C(=O)OC)C1)CCO2 1830714655 SKYPMJFZNYVDGM-PNCHPQGNSA-N 466.531 0.542 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)[C@@H]2C1 1831221120 FEGVBXXBTYVGRK-UVYNTUDKSA-N 473.570 0.969 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831498758 POXBPIZZDSJUPD-PZJWPPBQSA-N 462.609 0.467 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CC(N)=O)CCO2)C1 1831616005 PCIOLSMMEOELIA-QZMQVMSPSA-N 482.578 0.424 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831965950 OPCAALVLMQUHHC-HUGLXHGBSA-N 468.457 0.959 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1831998425 FUVQKVIREBMHHZ-SBUREZEXSA-N 467.563 0.949 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)CCO2 1832004418 CWHSPHPUKLYLHE-NRJQMVOHSA-N 455.552 0.947 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCO2)c1ccc(O)cc1 1832381565 YNHOFCAUJKEGJX-RXFWQSSRSA-N 496.564 0.954 30 20 JCED COc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)ccn1 1832596353 YMXGNOLQXQPNMJ-QHCPKHFHSA-N 453.499 0.993 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1833485250 OWKQGBSYSPQVPQ-KRWDZBQOSA-N 471.620 0.748 30 20 JCED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1833505332 APEWGWFZQUSQJU-HSZRJFAPSA-N 458.515 0.254 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)c(O)n1 1833700378 VSFROLIEUOPNTM-MWTRTKDXSA-N 460.531 0.500 30 20 JCED O=C1NCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#Cc5ccc(Cl)cc5)C4)C3)cc21 1834561093 YADCWQUNEFUKLJ-DEOSSOPVSA-N 497.939 0.402 30 20 JCED CCOC(=O)N(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)Cc1ccco1 1835348077 OKAROJGPJFGISY-QHCPKHFHSA-N 474.514 0.998 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)N1CSCSC1 1835678037 VJJKIWXVFQFCBJ-UWJYYQICSA-N 485.676 0.768 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)c1ccnnc1O 1836062945 QSNATCCOKKBEEG-UDIPQKBFSA-N 460.535 0.896 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1836866821 ZYSHTPFUJHRWQG-SFHVURJKSA-N 471.620 0.307 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3nccs3)C2)C1 1837396002 AGEGALYQVJLUEU-CKJXQJPGSA-N 452.577 0.973 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1Cl 1838328457 KXHZPRIOIUNDHF-QFIPXVFZSA-N 484.900 0.484 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1838534925 LGKIXNOJGDMTJZ-DEOSSOPVSA-N 476.493 0.517 30 20 JCED COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)c(C#N)c1 1838620388 ORJFUDKZYLAFIV-CVDCTZTESA-N 470.570 0.831 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5snnc5c4)C3)C2)c1 1838737986 IVIDDLDUBJWBHH-FQEVSTJZSA-N 453.484 0.670 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1839109685 QZTYJRFTUKKODY-NXMSCROESA-N 492.573 0.364 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1839225148 YUHRKFKHVZSVCC-HTAPYJJXSA-N 496.586 0.497 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1839422202 IFIVKWJBOBKLAM-LJQANCHMSA-N 472.395 0.446 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5nc6ccccn6n5)C4)C3)c2c1 1839487553 BAECSPZGIUNRAI-XMMPIXPASA-N 486.492 0.861 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1839839056 VRZCTELOGQBPQX-UVYNTUDKSA-N 473.570 0.834 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)OC)CCO2 1840205178 GMAMTEQERIWNTM-HOIFWPIMSA-N 455.552 0.947 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(=O)c4ccccc4)C3)C2)CCC1 1840815993 MSZFSKVRNPPLLN-DEOSSOPVSA-N 454.527 0.957 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819902 MXMOTESPLGHHCX-YKSBVNFPSA-N 457.527 0.967 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1840820129 AKHLPRCIRZNCKA-DEOSSOPVSA-N 481.509 0.686 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840853277 GEDSFNWVTXRNAN-YNMHEXEPSA-N 468.551 0.277 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(C(=O)OC)cc3)CCO2)C1 1840957605 KWUVAPCCDOMUMQ-HOYKHHGWSA-N 476.526 0.900 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1841024047 LNROCHPWPZVXPQ-JKCVZHOFSA-N 476.574 0.666 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C1 1841231099 QFASBQYXLKHNRR-CFXYEOBUSA-N 469.604 0.890 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nccnc1C(N)=O 1847941030 NAJOEKQWVUJWII-KKUMJFAQSA-N 458.519 0.860 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCCCN2C(=O)CS/C2=C/C(=O)OC)c1 109393386 BRAHZZINAIJKLM-SFQUDFHCSA-N 452.510 0.735 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Cl)c4c(c3)OCO4)c(=O)n2C)CC1 514523269 FUAUIPHXQCIROR-UHFFFAOYSA-N 460.943 0.496 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522537804 PSJRVUSQGYLNTR-UHFFFAOYSA-N 488.978 0.508 30 20 JCED Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccc(S(C)(=O)=O)cc3)c(=O)n2CC(N)=O)c1 524282623 AJIFDUCLGFTVLH-UHFFFAOYSA-N 495.582 0.801 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2ccccc2)c1=O 589161625 VYLDOHLUNWZTFK-UHFFFAOYSA-N 471.535 0.984 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)NCc2ccccc2)cc1 603902098 AWCDZPVKQGTPJQ-UHFFFAOYSA-N 450.542 0.728 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 853670346 ITSOXJHAUPAUGC-GJZGRUSLSA-N 485.584 0.473 30 20 JCED C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 916703282 XOIVMJORTGQZQR-UHFFFAOYSA-N 454.508 0.499 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3cc(OC)ccc3c2)c(=O)n1CCOC 917356248 ICHYTRDTEGYTTG-UHFFFAOYSA-N 467.547 0.984 30 20 JCED CNC(=O)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918475854 GPYFZQHFSRPMBN-JJIBRWJFSA-N 451.549 0.861 30 20 JCED CC(C)[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 919318224 GMVFMIWEAZQMJE-FUHWJXTLSA-N 456.542 0.344 30 20 JCED CNS(=O)(=O)c1ccc([C@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 919757647 RGECQEWWEIJZFW-ZDUSSCGKSA-N 450.542 0.901 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 920832945 RINSNVUYXXUGMY-UHFFFAOYSA-N 480.449 0.847 30 20 JCED CO[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1315691588 QYTVVXRTVMIDBF-QBPKDAKJSA-N 454.553 0.155 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCS(=O)(=O)N(C)C 1494136251 LBMQSBKZTLKMNV-OAHLLOKOSA-N 461.596 0.844 30 20 JCED CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1505121397 MBXCWFIMTFRJMC-SFHVURJKSA-N 478.600 0.866 30 20 JCED CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1606952960 VEGOJONSOOILEK-HXUWFJFHSA-N 452.581 0.830 30 20 JCED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1618846741 WBFTWPDVQUEOJU-UHFFFAOYSA-N 490.565 0.287 30 20 JCED COC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1697092165 DIJYKHZHWAGAEC-DLBZAZTESA-N 467.596 0.213 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOc2ncccc2F)C1 1698313089 SFGFZSRAFGKHGW-DNVCBOLYSA-N 483.501 0.666 30 20 JCED C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)N1CCOCC1 1706783896 RSHFFYMLGXKKGE-LJQANCHMSA-N 466.590 0.748 30 20 JCED Cc1nc2ccccc2n1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1751795494 PWYPJIKHRGHJGT-HOCLYGCPSA-N 458.548 0.975 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760374501 QPEGLOOMGOZJPC-LSDHHAIUSA-N 482.028 0.767 30 20 JCED CCN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)S(C)(=O)=O 1765217946 UAFOYNVUOXDOFA-WMZOPIPTSA-N 499.663 0.028 30 20 JCED Cn1c(=O)c(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nc2ccccc21 1777887367 AQVSTEYNWSAEEF-LPHATQMZSA-N 466.542 0.849 30 20 JCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2)[C@@H]1SC(=N)NC1=O 1778085631 VMZUHXGAHMBPLJ-YLNDJPJSSA-N 458.544 0.816 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1778943854 WLOMAYAFZMCNIF-QRQCRPRQSA-N 463.535 0.552 30 20 JCED O=C1CCc2ccc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)nc2N1 1779104093 FUNCCVMORRPSGX-XTXAWSSWSA-N 471.514 0.939 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1779104346 JHZXKQSFEHABRV-DNPICXIKSA-N 458.475 0.407 30 20 JCED C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1779534814 UGOTWHGTUJSZPV-GXRGRJPFSA-N 450.536 0.720 30 20 JCED Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn2[nH]cnc(=O)c12 1780019719 OIQAJOUYRVUENI-XMMPIXPASA-N 467.526 0.473 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4ccc(OC)nc34)C2)C1 1780041141 WBFJVXPHZNKJPX-BLAQYMCESA-N 453.499 0.873 30 20 JCED Cc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(C#N)c[nH]3)C2)cn2[nH]cnc(=O)c12 1780179147 IQOUNSIMIBIAPU-WZONZLPQSA-N 463.498 0.972 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)c1 1780600370 UXXPJQJNJOBVQU-NRFANRHFSA-N 455.496 0.467 30 20 JCED O=C(COc1ccc(O)nn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1781494762 XARHRVXHRGTYTF-YIHVMRBGSA-N 460.535 0.547 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c(C#N)c1 1782961561 VUIWGTXEZYZKQF-KNQAVFIVSA-N 461.540 0.516 30 20 JCED COc1nccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1NC(=O)OC(C)(C)C 1783566641 GFIGTPIEBHJCKE-QHCPKHFHSA-N 488.497 0.969 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(Br)cn3)[C@H]2C1 1785383032 UBDWDAKYOBKWEM-RCBQFDQVSA-N 450.289 0.454 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(S(C)(=O)=O)cc3)[C@H]2C1 1786700288 XGXPQSCKNXITNU-LGYWMIHWSA-N 462.568 0.651 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786725465 RGLLSQLNEVZCET-HAGHYFMRSA-N 478.590 0.215 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)C[C@@H]21 1786858330 QXHLJQSUGGVSIS-CMOCDZPBSA-N 453.587 0.962 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1 1787395263 DNAIVXPTXHMKBG-FPSMNIFISA-N 470.567 0.653 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21 1788658938 CUGUDRGHULDVSN-DYKZOPNRSA-N 456.503 0.852 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1792323819 UDTPVWPOKWOHBG-WOYTXXSLSA-N 467.494 0.402 30 20 JCED O=C(Cc1cnc2ccccn12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1792932493 KIGWIZFMRPJFPS-ZGNLGFJESA-N 455.515 0.995 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)C2 1793360465 NPFDWHNBMFBBGX-LWWSSTOXSA-N 493.601 0.926 30 20 JCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)n(-c2cccc(=O)n2C)n1 1795932870 CTSREZZTNSRIKH-GCMSJHEWSA-N 492.536 0.795 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](NC)C(=O)O 1796094034 PJNHVKVGGSWLNC-BQJWPVKWSA-N 450.536 0.604 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)C2 1796325440 SZONQEHDMMFEET-AJYBTWMASA-N 457.531 0.996 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 1797390789 IETXKUMKSQPAGY-ZMMAXQRCSA-N 482.541 0.849 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1797786217 SWTFUMCFBQXDEB-KGSLCBSSSA-N 471.510 0.575 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2 1801002470 ZVOVUPFBDCJTNX-YYAJDYIMSA-N 453.536 0.999 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2)c1ccc(O)cc1 1801055705 FLDQIZDEIAYZTA-CROMWVBPSA-N 456.543 0.750 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)c1cccc(S(=O)(=O)N2CCOCC2)c1 1801883333 JCZSLHDAKCSDAR-JHDGKUDLSA-N 487.578 0.324 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1802481595 KTEKGKLRLMJTBH-CTUFNNTOSA-N 477.525 0.200 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810292542 XXPHODCJZHATEF-SNRYVUHCSA-N 460.535 0.624 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810328561 KCAWSTOWWRUXIE-FUDKSRODSA-N 470.570 0.937 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1810359651 FGVOHGKDPGGNBH-IVXXQOCKSA-N 472.502 0.168 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CNC(=O)c2cc(C)on2)[C@@H]1c1cccnc1 1810375610 YKABFJODQAVCML-YRTIDYAOSA-N 480.525 0.672 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812341123 BEUIUVKFDGBAQH-NQIIRXRSSA-N 451.531 0.626 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@@H]1c1cccnc1 1812409215 UKCTZVMENWAAGK-VQLQEPDVSA-N 494.508 0.716 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1813175461 RNOXNOHQPXJHBN-YADARESESA-N 464.522 0.711 30 20 JCED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1)[C@H](O)N1CCOCC1 1819446440 PWOVNXOWUPALOY-CPNMWMNXSA-N 464.523 0.581 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCN2C(=O)OCc2ccccc2)C1 1829014064 MQWRBXCBMVWYRJ-CYFREDJKSA-N 497.556 0.716 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C1(O)CCC1 1829745610 IGLHTANKPKKOSU-WZONZLPQSA-N 457.527 0.945 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1829756181 VYAYGODCTFQQGV-NRFANRHFSA-N 474.518 0.903 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1829807618 BEHARKQLKQJOIY-QCDGUUFLSA-N 472.590 0.920 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)C1 1830715194 ZNUGAXPLUVGYFX-AYMMHLMVSA-N 453.536 0.833 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831425948 XVSXQHYLRAQFKH-AXHZCLLHSA-N 497.589 0.670 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1832460924 JVMAKVUCEZUCHI-QFIPXVFZSA-N 463.604 0.708 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1833468832 OWHBFXKCWXPJKG-OAHLLOKOSA-N 466.629 0.457 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1 1833477304 XXVNFTQTFJIJLD-QGZVFWFLSA-N 475.546 0.919 30 20 JCED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1833509495 NDGCPXHURDKSJU-QHCPKHFHSA-N 469.473 0.809 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2C)CCO3)c(O)n1 1833867371 BFWXCBJNNSXDCI-RUZDIDTESA-N 482.537 0.988 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnc(-c4ccccn4)nc3)CC2)CC1 1833914710 IRKMPYGTCWSQQH-UHFFFAOYSA-N 462.510 0.812 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1835440570 BUEWANIBDLSLBY-GOSISDBHSA-N 484.663 0.821 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1835640600 OBKOLSXNGKQLDU-ZHRRBRCNSA-N 467.567 0.235 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1835768242 UMKVTLRDGLDEGD-GVFUYMABSA-N 490.561 0.662 30 20 JCED C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441963 JYSYTWOORXAXBP-KQLUBGJGSA-N 458.563 0.810 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1837443462 BNCLJIROFIURKY-KGFBWQSRSA-N 485.541 0.649 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445994 FAXDCMYEJZTSSW-GTZKWBBTSA-N 451.612 0.892 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1CSCSC1)CCO2 1837574082 OAOQABOVMSUSBO-UWJYYQICSA-N 487.644 0.995 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1)c1ccccc1 1837611480 IMFLODUWCDINSQ-NMMYMHLASA-N 455.511 0.748 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838325024 YVGKOZBNOKTDRU-VFNWGFHPSA-N 463.491 0.056 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838567570 DZRZIGOPSNMZGT-HSZRJFAPSA-N 459.499 0.455 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838582562 SQNWQSWPRIIEQO-BXKMTCNYSA-N 472.542 0.942 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839210329 LXNIXAWRLFFPKS-SBUREZEXSA-N 480.562 0.412 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1839225151 YUHRKFKHVZSVCC-VGSWGCGISA-N 496.586 0.497 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1839227830 LDIDCHVVLACTHB-VFNWGFHPSA-N 462.482 0.739 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361677 YNJUCRISTQBLNV-JTSKRJEESA-N 478.571 0.150 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1839388938 LPNSJGMCVFNWKP-YUZACMFVSA-N 459.499 0.251 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c(Cl)c1 1839670589 QLPIOVOHXSSHGK-JOCHJYFZSA-N 487.900 0.856 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cscn3)NC(=O)OC(C)(C)C)C2)C1 1839811425 UCXDNKOSLGOQBX-VGSWGCGISA-N 478.571 0.669 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1)c1ccc(O)cc1 1839865692 PPVDISGUDDMZHZ-YADARESESA-N 457.527 0.611 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)CC1 1839895311 VLMZJEVNCKNAMF-QHCPKHFHSA-N 455.511 0.900 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)[C@H]2OCC[C@H]21 1840037987 BVQLOPKKTICPNR-UOUMEPNKSA-N 492.573 0.771 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(-c4ccccc4)c4c3COC4)C2)C1 1840041793 IPVWVEFXDYRFIO-DEOSSOPVSA-N 480.477 0.061 30 20 JCED CC[C@H](C)[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840043870 YYGNGGRTNDCCAY-HOOSLVGPSA-N 495.573 0.860 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1840158064 DQNSAAKWAJGXOT-HRAATJIYSA-N 450.561 0.307 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1840167506 UPTPRJAZBWKUJS-HSZRJFAPSA-N 462.568 0.893 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840453125 DMUZEUSWOYQOOZ-MHPMKTAKSA-N 476.530 0.834 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840805695 BYQLNUIJZBHRTF-HSZRJFAPSA-N 462.547 0.706 30 20 JCED Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)c(=O)nc1O 1840808385 VFTZBKMGGHAAPG-QHCPKHFHSA-N 485.472 0.038 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840820030 UOHARALQDAGMGH-QFIPXVFZSA-N 453.455 0.203 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1840842734 YHCVSWBWKUWBDU-QHCPKHFHSA-N 464.482 0.054 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840906702 HOLPBZUPLVLIMH-NTKDMRAZSA-N 487.557 0.392 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1840909329 RJKXESOMDLBDKS-HOYKHHGWSA-N 488.541 0.774 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 16775745 MUFSVMUDLOYPIQ-UHFFFAOYSA-N 456.480 0.550 30 20 JCED Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 18039192 YAWUXDKLVFFSTO-UHFFFAOYSA-N 468.543 0.661 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 26067211 WLMFLHDSSGPZLB-UHFFFAOYSA-N 463.537 0.871 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCCC(=O)OC 501763706 DKNSOPDLXHBTEF-UHFFFAOYSA-N 463.943 0.782 30 20 JCED C=CCN(C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)[C@@H]1CCS(=O)(=O)C1 512082309 HZMKDVAZHILVEM-MRXNPFEDSA-N 497.595 0.971 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc4c(c3)OCCO4)c2=O)CC1 516828871 PZPQHPADMJSPPU-UHFFFAOYSA-N 496.589 0.310 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)s1 518199475 BBHGEPOPKSJZTA-UHFFFAOYSA-N 496.570 0.932 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 522540583 VVMYHUCBKBUERC-UHFFFAOYSA-N 465.560 0.798 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3OC)c2=O)cn1 523577111 RZARALPGCZSWCU-UHFFFAOYSA-N 465.535 0.486 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 603112065 ISUKQMZSMUMQHN-UHFFFAOYSA-N 471.539 0.945 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCCC(=O)OC 603994883 MUAXEXRRRQJVCO-UHFFFAOYSA-N 455.536 0.827 30 20 JCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 726996426 ZLJDQVYDLJYJKB-UHFFFAOYSA-N 498.521 0.899 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 728570604 HFSDHAIJIJOHDD-UHFFFAOYSA-N 467.492 0.848 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCN(C(=O)c2ccco2)CC1 769205809 OXTDSHNZEOJZQY-OAHLLOKOSA-N 474.495 0.346 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1cccs1 839327596 QUDFYNVQWKDNEJ-UHFFFAOYSA-N 457.581 0.799 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914652857 NDKGSMBGUUUMGY-BBWFWOEESA-N 477.539 0.909 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNc2ccccc2[N+](=O)[O-])CC1 920604754 MLDJWFYPHOWLKQ-UHFFFAOYSA-N 487.494 0.955 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CC1 1503377140 MFBVERWWRMVCEK-QFIPXVFZSA-N 480.617 0.874 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCc1ccccc1 1541116576 QVOXFTNMVSIQFJ-MJGOQNOKSA-N 489.602 0.566 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccn(C)n2)CC1 1615952781 XYDOTWCITJROOJ-UHFFFAOYSA-N 463.546 0.769 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1618842163 KAQUNDDCLIZAIF-UHFFFAOYSA-N 472.575 0.704 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1620177192 WCJOFMJNPFSWDA-UHFFFAOYSA-N 453.532 0.483 30 20 JCED COCC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1712317481 IUGBLEALPFWJSF-VGSWGCGISA-N 491.618 0.874 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722884136 YVWVSUYZWNKOOD-KRWDZBQOSA-N 465.562 0.985 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)nc3cccnn13)C2 1779423250 JRFKILPBIBBNLF-UYIQNBBZSA-N 498.540 0.746 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1780803488 GNYJLYATANEEMO-XKDCRVNJSA-N 474.562 0.945 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1781264830 DPAQBSIOUISVIA-OAQYLSRUSA-N 465.528 0.438 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1781290919 KFEGAUPMBZKRCG-MFEFFIJZSA-N 464.563 0.954 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CS(=O)(=O)N5CCCC5)CCO4)C3)c2c1 1782196005 PBPSECGILGECQQ-JOCHJYFZSA-N 486.554 0.304 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1782597270 CGBILBYCHPYVQG-GBXCKJPGSA-N 452.559 0.864 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)CCO2 1783052015 YCCVHJCCRNKKMZ-OPAMFIHVSA-N 464.519 0.255 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1C(=O)N(Cc1cccs1)CC3)CCO2 1783054117 DJKAMHJYJXJGOG-QFIPXVFZSA-N 453.524 0.677 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4CCOCC4)cn3)[C@H]2C1 1785721468 QNZXMKVVLUAVBP-RQIDZSJNSA-N 456.543 0.550 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1787126706 MMZBWFAQLRHPCX-ATIWLJMLSA-N 464.563 0.886 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1788576594 WIFSNQMSBDWDCT-DWIKVQACSA-N 495.617 0.910 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)nc5cccnn45)C[C@@H]32)c1 1789511135 FFDCZZGPMJJASF-BJLQDIEVSA-N 458.478 0.868 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1789892429 QMUQGIPLILKPOH-JLHDYFKBSA-N 466.560 0.278 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1)NC(=O)OC(C)(C)C 1790862130 UJSZBBMEONFHFJ-OYSTVDSJSA-N 478.590 0.962 30 20 JCED C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077997 PBTLAQWVDNOJJF-BVBHFADKSA-N 457.483 0.369 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792142432 FBJWOGOYJKITEX-QAETUUGQSA-N 477.562 0.429 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1793600155 VZXFYAHAOZBWSM-IVSAIRAKSA-N 480.591 0.956 30 20 JCED O=C(Cn1nnc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1793712991 BOOHALGKYVCOFA-INDWTEBFSA-N 456.503 0.550 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccn(Cc2ccc(F)cc2)c1=O 1794405696 AXGYIUXOPOSNQV-SCNOPHJPSA-N 460.531 0.952 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)c(Cl)c1 1795731407 HAEMLEBJIWWVGW-IVWMJMPLSA-N 467.873 0.460 30 20 JCED Cn1c(=O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)nc2ccccc21 1796996537 CIYSFTMDOQRINS-OPMZPASUSA-N 478.549 0.835 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)C2 1797589660 SSFHQSJTDHWBNN-SHJAMOMRSA-N 474.514 0.613 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1797740480 LTBAFQJMBAMZIB-RIIDUYHKSA-N 472.546 0.054 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 1797740962 JZZMBRMMIGXYHL-KDTMMWQRSA-N 451.531 0.942 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799064540 PSQXNYKAMZYZHL-LTCOOKNTSA-N 494.639 0.385 30 20 JCED O=C(Cc1ccc2ncnn2c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1799082696 ONVYYGKOIIAEQU-VFQDWYHOSA-N 456.503 0.390 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2)N1CCN(C)CC1 1799183673 CGKGRPJNZGGWPH-OYWYANMWSA-N 455.559 0.163 30 20 JCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799196055 FBCXNYUBPHLQFI-KYHREEPGSA-N 463.575 0.997 30 20 JCED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799239651 LISITIDESNRTFR-UPHUGPLXSA-N 459.572 0.183 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(C(=O)OC)cc1)C2 1799307696 DXXRJXMQANECKV-OPMZPASUSA-N 474.510 0.951 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(N)=O)N(C(=O)OC(C)(C)C)C1 1800518969 RYRIJQGSNZRUHW-RCJHGTSTSA-N 450.536 0.407 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988040 WNAFCGNWKHDREC-OEVXQYFLSA-N 469.560 0.375 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807358087 VIJBJZOWTYUCHE-SIXWZSSISA-N 466.502 0.933 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1810256809 VLZRXUAWMIDVKZ-BJLQDIEVSA-N 469.542 0.931 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)c2ccccc21 1812877610 NJHLTNOWAJTOFZ-UZUQRXQVSA-N 461.478 0.529 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813179495 WOENOQBSIPDQMA-DFBJGRDBSA-N 473.489 0.963 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817249220 HNPQPZVAEIFRJR-YQQAZPJKSA-N 489.577 0.911 30 20 JCED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1819467908 HVWMEZNIXQOKCS-NBZKTRLXSA-N 469.520 0.649 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccccc1C(=O)OCCO)CC2 1825669704 QVXCXDMPNYMTPD-LBPRGKRZSA-N 457.464 0.606 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3ccnn3)C2)C1 1828580957 XEWBTWUGZIFPIX-NBGIEHNGSA-N 494.552 0.769 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cncnc1)CCN2C(=O)OCc1ccccc1 1828640040 PBZWYKKMBYWJAQ-VWLOTQADSA-N 491.504 0.559 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC1)CCO2 1829881741 NLPPVXDGFFBUTL-MHECFPHRSA-N 479.574 0.786 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)cc1 1829901134 WEFZUNOTJDBVBW-HSZRJFAPSA-N 452.467 0.270 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)cc1 1829903009 AYOYMLMVXAXHEE-XMMPIXPASA-N 465.510 0.850 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOc1ccc(F)cc1)CCO2 1830250258 FWPAWOVLWNZNQI-IBLIISRWSA-N 475.517 0.909 30 20 JCED O=C1NCCn2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#Cc5ccc(Cl)cc5)CCO4)C3)cc21 1830467048 QZDAIXRXWWJOLU-XMMPIXPASA-N 497.939 0.402 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cnc2s1 1831213333 MFKUMTBCAJPTQX-JOCHJYFZSA-N 456.524 0.548 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1831401520 BDABDHGFHKFJPR-HOOSLVGPSA-N 497.589 0.145 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1831406742 BXPZZKFYIOFFNQ-JOCHJYFZSA-N 459.503 0.488 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831449722 PIYIWNCYKMCJEU-MBSDFSHPSA-N 477.583 0.628 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1831486771 HJGLZGNDCLXNKI-NQIIRXRSSA-N 485.628 0.651 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833026251 LDGUPSWILHRNCW-SUUCWYHKSA-N 499.524 0.161 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4[nH]nnc4C)C3)C2)c(O)n1 1833699209 VQKBNPVUJJMYOR-JOCHJYFZSA-N 456.503 0.716 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)NC(=O)NCC)C3)C2)c(O)n1 1833699778 CNCFCJWUXSPSLF-BXKMTCNYSA-N 489.573 0.683 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c1 1835641793 SHNLNLXBOPYFMN-UZUQRXQVSA-N 454.531 0.224 30 20 JCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835678106 YNZYUJNGIWZVTH-RUZDIDTESA-N 485.585 0.754 30 20 JCED N[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1cccnc1 1835834527 SVWFZUYEJKQJDS-MUTNTLGBSA-N 455.515 0.640 30 20 JCED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1835988973 CEWOMHBJHKIRDK-DNSLKSLXSA-N 463.535 0.338 30 20 JCED COc1ccc(-c2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)no2)cc1 1836529671 KUKRAPVAJAYLAT-QHCPKHFHSA-N 469.450 0.508 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1837404911 CZWAUBWTFGRGGM-UZUQRXQVSA-N 499.580 0.975 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)ncc1[N+](=O)[O-] 1837528303 FJZGPBVDBORNQR-YWJMUIPNSA-N 491.501 0.897 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1837529858 FHDHKOQXIGIFTC-AWUWGNNVSA-N 495.573 0.905 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837697725 ZXKYQBXHHOWPIX-AHQDJFPKSA-N 461.540 0.634 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(OC)nn2)CCO3)c1 1838350098 GAMMLUIFGBGGDP-HSZRJFAPSA-N 467.482 0.749 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2)c1cccs1 1838372306 SQFUCIDSDNQDHI-SHTLVRLNSA-N 458.496 0.753 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1838694688 FVTKDEIAXUBESI-UHFFFAOYSA-N 480.514 0.929 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCN(c3cc(NC4CC4)ncn3)C1)CCO2 1839038770 BIWLKKSGRDLJDP-MHECFPHRSA-N 468.558 0.357 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839190894 JGIAPVXJLXDDCM-RVHYNSKXSA-N 473.592 0.445 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(NC(=O)C3CC3)cc1)CCO2 1839250786 LODYRAHISKOSFC-HSZRJFAPSA-N 455.467 0.193 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccc1Br 1839299131 RYUAAOZEIYXSAU-FQEVSTJZSA-N 481.299 0.616 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839666933 NZAJGZOWJQHAFQ-RXFWQSSRSA-N 498.580 0.355 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839772590 FEOLMQJISXJFJH-PGRDOPGGSA-N 450.532 0.414 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810915 YAFKPWOHPDMZAV-HXOBKFHXSA-N 463.531 0.102 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1)NC(=O)OC(C)(C)C 1839861998 PEBLKFDYUMTBNY-JPYJTQIMSA-N 482.578 0.438 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cc(F)c(F)c(F)c1)CCO2 1840092811 XCKGTDWTBCCVLC-WODVNSBQSA-N 452.385 0.662 30 20 JCED CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(Br)c(C#N)c4)C3)C2)C1 1840571801 QBDSZRGWRKYZKH-OAQYLSRUSA-N 477.359 0.952 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CN(C)C1)CCO2)NC(=O)OC(C)(C)C 1840573433 RVXXDJPSNOTCFR-DVECYGJZSA-N 480.606 0.864 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840771583 GFQDDGIWKKNLDP-IVZQSRNASA-N 459.524 0.504 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840798327 LKFWOQYAZVSKMO-GGUMNFRJSA-N 493.557 0.614 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1840908335 JOFRHVWPPWCVHV-HOYKHHGWSA-N 489.573 0.715 30 20 JCED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1)c1ccc(O)cc1 1841894925 NADNVRJGLWKNTN-HXUWFJFHSA-N 473.595 0.823 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1844240211 YKPJHMUVHKPMRT-LSDHHAIUSA-N 452.552 0.532 30 20 JCED C=CCN1C(=O)c2ccc(C(=O)N(CCOC)c3c(N)n(CCC)c(=O)[nH]c3=O)cc2C1=O 14911676 ZQIHLUSLXUAIOU-UHFFFAOYSA-N 455.471 0.604 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 16558861 YYBGXNCMWNLIPQ-UHFFFAOYSA-N 493.563 0.952 30 20 JCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 523969099 XPAXASDKCPJNRL-UHFFFAOYSA-N 467.457 0.887 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(OC)nc1 608883995 OPLUWKCODMZQFL-UHFFFAOYSA-N 454.483 0.707 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1=O 726043250 ROBYVRHWCAUAFM-GJZGRUSLSA-N 490.488 0.576 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)ccc2OC)c(=O)n1CCOC 916198666 SAKMWVVAELJHKP-UHFFFAOYSA-N 496.383 0.593 30 20 JCED N#C[C@@H](C(=O)CCN1CCCS1(=O)=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 918487407 SIDZCIXKZOMCBS-SFHVURJKSA-N 482.584 0.934 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C(C)(C)C)n3)c(=O)n2CCOC)CC1 920395653 ZQJQERPMDDAPOD-UHFFFAOYSA-N 489.667 0.977 30 20 JCED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286530247 JYXHREHLRCQOOB-UHFFFAOYSA-N 466.384 0.823 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1313951785 WGDGCVDGXPPRLK-ZWKOTPCHSA-N 466.656 0.902 30 20 JCED CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)CC1 1545713744 YSUJMHUNBIKXOM-KRWDZBQOSA-N 452.563 0.990 30 20 JCED CCN(CCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)S(C)(=O)=O 1547575989 NJXJYNLPFLAIEK-HXUWFJFHSA-N 489.650 0.988 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1552381488 NVQXECGBPOCMGM-QGZVFWFLSA-N 466.589 0.769 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCOC(C)(C)C1 1611706839 GOIZJJJXZDSQFT-SJLPKXTDSA-N 480.639 0.176 30 20 JCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](F)(C#N)C1 1625264676 LQQCZIYVOVVPLB-ZBFHGGJFSA-N 451.929 0.886 30 20 JCED COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C(C)=O)CC2)cc1 1649681707 WGKUVKNISKBFNH-QFIPXVFZSA-N 467.574 0.965 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCOC1 1692794927 GXGGGKIFOPRDPS-QVKFZJNVSA-N 493.565 0.377 30 20 JCED CCOc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1696156994 JPUXEJRSUGOWQG-OALUTQOASA-N 476.559 0.787 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1706003191 SALBQNAMLODVNI-UHFFFAOYSA-N 480.573 0.276 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 1706050671 YZVQWPGPVLTGML-UYAOXDASSA-N 487.586 0.440 30 20 JCED CC(C)NS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741715011 XUCAMNRNNMOLFJ-IBGZPJMESA-N 458.592 0.768 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CN4CCCC4=O)n3C[C@H](C)N(C)C)CC2)c1C#N 1742669498 OUPOCYRSRCBYMB-INIZCTEOSA-N 454.583 0.591 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCN(CC)CC2)CCOC1 1746735589 QYQHMHJFPMNCBX-MIZPHKNDSA-N 461.611 0.933 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1750210403 QWQWMXNKGRRIKZ-UHFFFAOYSA-N 459.532 0.741 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1770671416 XOWCCXAJKJRMTR-FGTMMUONSA-N 482.607 0.793 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777778464 AVPNGEIXUHGSII-LXHZQTKUSA-N 453.503 0.043 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779099916 PMUMCZLFZIJEMI-ITTUPOEKSA-N 489.529 0.352 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1779106205 YDYDCFMBIDSVTK-RORQMLAVSA-N 460.487 0.825 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1779236190 BLCZLUUSFGDXOO-GVFUYMABSA-N 458.563 0.588 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)cnc2C1 1779950108 WFZPOEYWNZTRIE-JOCHJYFZSA-N 458.519 0.991 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C3)c1Cl 1780098314 KYCNTLYVSOLLPN-GSHUGGBRSA-N 461.950 0.932 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO3)c1 1780169535 RMVYHDWZEAUMCE-CYFREDJKSA-N 488.541 0.896 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)cc1 1780935843 VFGQPVHFGOZJDC-XMMPIXPASA-N 479.562 0.836 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781104975 IRJWSTCZHAJJNE-FHAGJXEFSA-N 491.633 0.369 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781112240 VCFMKQQSUKMOMF-VLMPBXDWSA-N 471.620 0.999 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1781166504 QYZGXKPOQFAVRS-STSQHVNTSA-N 464.563 0.648 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1781265557 QNNORRVYNUEFIU-MRXNPFEDSA-N 454.373 0.681 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1781265562 QXFXSEJEDRRZBM-CMJOXMDJSA-N 474.514 0.332 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781380637 QJBJAEWLEDELQY-DEOSSOPVSA-N 498.621 0.184 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc5n(n4)CCNC5=O)CCO3)C2)c(Cl)c1 1781967681 RXGPOUKDACVPLD-JOCHJYFZSA-N 468.901 0.909 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)C1 1783032415 KWEHZEFBUKUADL-UHKPCRMSSA-N 496.564 0.943 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(N3CCCN(C)CC3)c(F)cc1[N+](=O)[O-])CCO2 1783055443 ZXEPJDUNUCGKAV-HSZRJFAPSA-N 473.505 0.953 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1785577532 YUJZCHODVZEUFH-HKARXFIJSA-N 462.547 0.354 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1788571597 OWWIEZHROGLVGI-BPAWZDJUSA-N 474.558 0.546 30 20 JCED C[C@@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)C(F)(F)F 1788653278 ZWVWGDYYWRVUOM-UQICPPJASA-N 451.442 0.808 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C[C@@H]21 1791258216 FZWDGPDVDQJZMA-CBVHJVASSA-N 459.568 0.900 30 20 JCED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2ccc(C#N)cc2)no1 1792424182 IMVIMRUPEDWHBH-BBIADKPPSA-N 465.510 0.807 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1)[C@@H]1SC(=N)NC1=O 1792832439 MLTQQHKQIJKWRJ-ZZPMGOEYSA-N 469.567 0.883 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1792885553 CVZBNZAIUKSBIG-JTJHWIPRSA-N 457.527 0.513 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2 1793345913 UUKWYPMAQAXDDD-JNIAIEOXSA-N 495.573 0.461 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2cncn2)C3)c(C(F)(F)F)n1 1795997618 UAIPQORXDKPMGY-FVCICTRLSA-N 463.420 0.857 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1797713010 AVQCBTDACYZCEN-ROMHJBHXSA-N 495.617 0.767 30 20 JCED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cn2[nH]cnc(=O)c12 1798464791 OGMRUBUPNQTDPD-MBTMXKSLSA-N 472.502 0.063 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)C1 1799200330 TXQDJOADABNVGL-DLEPCTQTSA-N 490.557 0.516 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOC)C2 1799233372 WDQVZPJIYQPUEJ-RCLSDMTESA-N 481.590 0.936 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CS(C)(=O)=O)C3)c(C#N)c1 1799238034 VVBZHHQMFLCFFR-HEFCWWFNSA-N 463.556 0.380 30 20 JCED COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C 1799395370 OEENAFNWGJYQKQ-KEZQHZCBSA-N 487.594 0.463 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F)[C@H]1SC(=N)NC1=O 1799745566 UIRMZKWCILLLCB-OBWXAGNPSA-N 459.503 0.703 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCO[C@H]12 1800768373 HXOPHHZFUZOMQO-KGUXUILGSA-N 491.585 0.639 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N)s1)C2 1802127410 OPJZEAMOHCCLCE-HLPPOEQASA-N 463.560 0.845 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)O)C2 1802127519 ILUBZUHNGKGHEV-BASYENTBSA-N 469.560 0.310 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C2 1802128000 MCBLVINUQYIQDB-FWEDZOCSSA-N 450.536 0.017 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1802482626 MLEBTORGQTYLAD-ZJSDXAAXSA-N 498.565 0.411 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807721688 WAEYGEDQGBUWIP-SYAJIYQZSA-N 485.585 0.727 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)N2CCN(C)CC2)[C@@H]1c1cccnc1 1807852538 LIHOOUWNPCXKFO-BITDBCEBSA-N 468.602 0.582 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1808449065 CBXPUZATFYSHAV-OXJNMPFZSA-N 455.519 0.930 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1810388288 MFWJVLHTEAOGTJ-JZDMFWLRSA-N 452.471 0.351 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@H]2c2cccnc2)c1 1811410697 QOGQJUBPNYMKJP-NGYIFUPDSA-N 479.537 0.932 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)nc3sccn23)[C@@H]1c1cccnc1 1812877140 DBFJHKZTFJURFB-AUUYWEPGSA-N 451.464 0.559 30 20 JCED COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2 1820185162 DLNBCMKIVFTPRY-ZFWWWQNUSA-N 450.565 0.488 30 20 JCED N#CCc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)cc1 1825328540 GLZVMXUXLFWTPE-KRWDZBQOSA-N 457.556 0.722 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825674793 GFXVTFCEWRLUDG-TZMCWYRMSA-N 478.527 0.779 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CC3)CC2)n(C)c1=O 1826680168 DRVDVKVMFUDWLD-KRWDZBQOSA-N 481.557 0.357 30 20 JCED Cc1cn(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)c(=O)nc1O 1829638285 XFOCOYIPMMATKY-RUZDIDTESA-N 495.536 0.218 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)cc1 1829907272 DYKLKAWAJAKSNK-XMMPIXPASA-N 495.492 0.327 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829907332 HQFXZSQSYAENGG-VWLOTQADSA-N 489.569 0.627 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1830345631 PBNFNJKPVNOQOT-AUSIDOKSSA-N 451.564 0.766 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCCN3C)CCO2)C1 1830778761 WJXMPXSQLSZOTB-OHUGHZGNSA-N 492.617 0.844 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1831387292 MQLDBYBHNUUFRW-IQGLISFBSA-N 483.521 0.167 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1831396798 KDQMYWDPXKUTAZ-SBUREZEXSA-N 469.498 0.548 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1831401986 KYRIQSIQQGBHEO-DRSNIGMVSA-N 453.536 0.394 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831578583 KGAADDCTRKPTDE-QKCPIRFBSA-N 494.545 0.021 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2)NC(=O)OC(C)(C)C 1831614188 GCBYIHPHOATUJW-XFAGBWLFSA-N 496.605 0.814 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cncc(C)c1)CCO2 1832952541 HBVVPYLSLHJNIP-RULWIFSWSA-N 456.543 0.637 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(Cc4ccccn4)CC3)CCO2)C1 1833108843 MKPJBSDEVZOOLP-HFZDXXHNSA-N 484.597 0.788 30 20 JCED COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1F 1833485164 ZVKPCTBHBGHVAH-VCGLIYPTSA-N 480.493 0.828 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833502579 NIAUHBCVEWDXMB-QHCPKHFHSA-N 481.465 0.195 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833883045 JQHBGQCLPBIIAV-HXOBKFHXSA-N 492.577 0.745 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834388060 DEFYFNJQRBYSIK-WZONZLPQSA-N 475.546 0.256 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)CC1 1834715956 WJPGVJZYAWRKRO-QHCPKHFHSA-N 465.595 0.456 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)c1ccccc1 1835339889 XGSQAKLZDBXWGO-WZONZLPQSA-N 456.499 0.844 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)CC1 1835400030 IZLBBNNEFNYCAP-RUZDIDTESA-N 469.586 0.195 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642169 JDBFTWGFILCKGO-SXGZJXTBSA-N 460.597 0.003 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1835677391 PRNMQVYUNVEGKN-HSZRJFAPSA-N 454.531 0.686 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)NCCC#N)CCO2)C1 1835680641 IXJXXINIBRTVOM-JOCHJYFZSA-N 452.552 0.314 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)c1cc(CO)on1 1836187716 BUZOJMSYGLHUKT-KURUZVKSSA-N 463.535 0.881 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H](C)O1)CCO2 1836612123 WPKJIASPMAJESS-PLOUGOBLSA-N 479.574 0.927 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837430001 FXXSYDYPTWOSSY-SIKLNZKXSA-N 483.638 0.558 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837441731 BKWFZNDPQPBLTI-JGHSGIRGSA-N 452.943 0.465 30 20 JCED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837488483 HRMVYQAJOQCGPL-HSZRJFAPSA-N 458.515 0.254 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837564549 WYABOVMJXMHRAS-SFFGGSCWSA-N 457.527 0.854 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838567867 UBHMLDXLKBXBDS-KOSHJBKYSA-N 476.526 0.497 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1839174382 YGIWECOMXKAACF-DEOSSOPVSA-N 483.525 0.847 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1839174774 WISXOJDGKRLNTG-AUSIDOKSSA-N 460.531 0.437 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1 1839190888 JAIBYVSMMNOBCS-YKSBVNFPSA-N 473.526 0.903 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)COCCO)CCO3)C2)ccc1Br 1839196256 LBDLKNRBRFXYSS-FQEVSTJZSA-N 482.331 0.400 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCN5CCOC5=O)C4)C3)c2c1 1839488246 GWHGCIZCLRUBOR-HSZRJFAPSA-N 482.497 0.347 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cccn1 1839489148 ODLOXSDFTLZISU-MWTRTKDXSA-N 463.498 0.962 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839692762 PCFZCXYSRWDOJU-VWLOTQADSA-N 484.601 0.122 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1)C(F)(F)F 1839892784 GPPBHDWYPVIHPR-FQEVSTJZSA-N 472.464 0.862 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc4ccccc4c3)C2)C1 1840040101 NWZBOGBBYJDTBC-XMMPIXPASA-N 451.479 0.712 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nc2ccc(Cl)cn12 1840044461 IZWUQCMPQZSCQS-OAQYLSRUSA-N 460.874 0.454 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1840181213 STAFQMZDFPEBLC-VXKWHMMOSA-N 479.917 0.897 30 20 JCED Cc1noc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840819190 VJMDGQWXEGRMKO-QFIPXVFZSA-N 455.471 0.328 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840853057 CGRGKDFNZDFPIZ-ZBXNVRSJSA-N 451.568 0.219 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1840907213 QGVIPGSUYQSIRE-SBUREZEXSA-N 473.530 0.463 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CSC(=N)N)C1 1842864457 BRQJZDQXJHELMM-CQSZACIVSA-N 498.606 0.622 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C1 1846301730 OZDKAMHYCZFILE-HZPDHXFCSA-N 486.635 0.943 30 20 JCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2)NC(=O)OC(C)(C)C 1846935409 USMBHLMDLQXXKG-GOSISDBHSA-N 468.595 0.336 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C(C)(C)C#N)c2n1 1847347402 IDRVIQIBLHTOKQ-KBPBESRZSA-N 468.518 0.878 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C 489159424 VRPUNJVHDIUJTE-UHFFFAOYSA-N 468.329 0.189 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C)c1 502051941 NVGSXWMGRPTHQI-UHFFFAOYSA-N 451.552 0.987 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C1CCN(C)CC1 516831550 CGNVQMXPAIKBMZ-UHFFFAOYSA-N 458.559 0.971 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 604148003 IWCJUBVTKGQQPQ-UHFFFAOYSA-N 477.521 0.673 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 604434328 PZHIDDZKVPXTGL-UHFFFAOYSA-N 486.506 0.580 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cccc(F)c3)s2)c(=O)n1CC(N)=O 608910706 FLSVKIKKMCATKL-UHFFFAOYSA-N 486.550 0.528 30 20 JCED CS(=O)(=O)N1CCN(CCNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 608923350 VDGJVSJIKXSFCL-UHFFFAOYSA-N 471.587 0.515 30 20 JCED COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 726727751 WNEUNZPMPBORDJ-JRCVOMKHSA-N 465.532 0.785 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(OCC(N)=O)c2)CC1 913317517 ZPXLHEVHFIHIFH-UHFFFAOYSA-N 486.506 0.112 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCOC 917354396 VWPSMDUUTGONRM-UHFFFAOYSA-N 466.903 0.383 30 20 JCED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1I 919398104 VVSYMCJTKHVXAJ-UHFFFAOYSA-N 492.291 0.218 30 20 JCED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1192222031 SLRQAMFKQNFPMH-UHFFFAOYSA-N 455.331 0.573 30 20 JCED COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1=O 1193730050 MKVYFKNEZXCFCR-CQSZACIVSA-N 459.366 0.778 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CCO1 1286947880 XOUOWCPHXSINKB-LERMDLETSA-N 470.530 0.610 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(C2CC2)C1 1301969364 WGMCMXKCSPWMMC-SOLBZPMBSA-N 451.597 0.691 30 20 JCED Cc1nc(=NC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)n(-c2ccc(C#N)cc2)[nH]1 1360807668 WJUBFLBBFLEWIY-UHFFFAOYSA-N 452.496 0.984 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507869659 WYYVSOKYIKAKOH-GOSISDBHSA-N 499.041 0.809 30 20 JCED CCN(CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1547575500 JBVMQRZWLPKIEV-GOSISDBHSA-N 472.575 0.917 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1547765241 OCLNWKOMLWKECA-SFHVURJKSA-N 471.587 0.510 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1555558566 XGRYFBPAVVOFCS-KRWDZBQOSA-N 467.527 0.560 30 20 JCED CNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729717240 XHVHDZBTYZACDP-KRWDZBQOSA-N 457.560 0.661 30 20 JCED CCN(c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1745953555 MNYJUHIRSPJUNY-KRWDZBQOSA-N 466.589 0.769 30 20 JCED Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1C 1761809364 VVRJZLAZUXMYPK-KRWDZBQOSA-N 461.548 0.767 30 20 JCED COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1768340055 NRSFHZKGRURCEY-IFXJQAMLSA-N 467.935 0.885 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779019783 FARGNDZXFOSCIR-KGFBWQSRSA-N 493.605 0.660 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779543576 XIVWFBKAVOUKKP-DDKKJVIOSA-N 499.309 0.316 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1781051386 SZJUQQGEHKBRRA-MERUMYRGSA-N 469.579 0.917 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c(I)cnn1C)C2 1781693527 PBWZPZJKSSOGKO-CXAGYDPISA-N 456.284 0.785 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CN5C(=O)CSC5=S)CCO4)C3)c2c1 1782198269 IERKSOJOQVAHNZ-NRFANRHFSA-N 484.563 0.738 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nn(C)c(CC)c1I)CCO2 1783048628 FJYKFIXONKHMPG-KRWDZBQOSA-N 456.284 0.664 30 20 JCED C[C@H]1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)N1C(=O)OC(C)(C)C 1783449410 ZRZXKDGBWZODAM-ATIWLJMLSA-N 463.531 0.842 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567230 JVAMCGSEVOZOMM-UUOWRZLLSA-N 499.524 0.056 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567909 HWAUJYZBYWDCSE-HXOBKFHXSA-N 463.531 0.942 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783568270 FPRFXTDKYNGXAH-UZUQRXQVSA-N 463.531 0.942 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(=O)OCCO)C[C@@H]21 1784485970 VCZOXKKLALDKNJ-USNOLKROSA-N 458.511 0.467 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)[C@H](O)C1 1786367446 LVDCIUVHMUBLOF-JHWSBEJJSA-N 464.563 0.888 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4CCOCC4)[C@H]3C2)ccc1F 1786746691 JOACAKUNOVEIHQ-VCOUNFBDSA-N 458.534 0.942 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)CNC4=O)[C@H]2C1 1788440115 GJAPQEAJWDLPCE-ZQPXHLQISA-N 452.511 0.382 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1788637011 DYGGHHLVALSEIF-MYGLTJDJSA-N 471.510 0.575 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1ccnc2c1OCO2 1789182088 LICXBMCXSAVZEX-AETZYUFPSA-N 460.487 0.933 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1791258514 QBKJHUCQXKEQLQ-XSLAGTTESA-N 493.561 0.685 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1)[C@H]1SC(=N)NC1=O 1792146364 NPSSDCSVSSQDOD-FMCFTNBYSA-N 485.566 0.719 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](N)c3ccccn3)C[C@@H]21 1792257830 NDAZDRRSPDBYGA-FFZBTMFNSA-N 485.585 0.978 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCNC(=O)OC(C)(C)C 1793219942 VFLYRRQRUWJEPM-MZNTUGIBSA-N 494.589 0.366 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)OCc1ccccc1)C2 1793347901 NULJLWVVOHFPMJ-YCXYWVQESA-N 457.527 0.929 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2 1793597282 ISLRKTIZLOVOOZ-KYHPRHEASA-N 483.635 0.529 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)n(C)n1 1794724875 RIBNQPDFTPBKGS-ZMMAXQRCSA-N 459.547 0.848 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CNC(=O)C2)C3)c(C(F)(F)F)n1 1795997632 VHVKWOLQCPYHMX-LSSIXWDNSA-N 451.405 0.311 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)CCC1 1797104943 JHRBDXXKTOJFNQ-XOIINTDNSA-N 461.482 0.468 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC)C2 1797669551 WIPHLXNZVNLBKX-KYHPRHEASA-N 468.551 0.792 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797837535 ZQEXCGDEIJYFBV-PFSVVFQQSA-N 477.562 0.530 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C(C)(C)C 1799105335 DPKVUPWIYRBQKE-QOIOWGMHSA-N 465.547 0.994 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)CCOC1 1799335081 KHWBMWMCZMWINU-NDBKNAECSA-N 493.605 0.542 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H]1CC(c2ccccc2)=NN1 1800154673 GHELVOLNJZQKJN-LJQVLWLKSA-N 469.542 0.871 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)Nc1ccc(Br)cn1)C2 1800773321 KQTRAFDUFPEAIZ-NXCRSVRDSA-N 493.314 0.240 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCSC 1801032478 WALNYDJMXGATQH-CWQOZTLDSA-N 469.604 0.607 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1ccnn1 1801397963 QDBXFDCMVRNTOD-XSDDWTICSA-N 474.562 0.727 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]n1)C2 1802282569 JSWQTXDZULYQRB-FZKCQIBNSA-N 491.549 0.862 30 20 JCED CN1N=C(C(=O)NC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)CCC1=O 1804120723 XOLGKBXCPABGRX-PXNSSMCTSA-N 453.547 0.977 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)C1 1804853794 QKFHLXOPSPGIAJ-ZEVQVBBLSA-N 478.590 0.962 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1810356241 AHMILBKTMLUESN-ZUNTWFLGSA-N 468.514 0.873 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)[C@@H](O)N4CCOCC4)[C@@H]3c3cccnc3)c2c1 1812070502 JTPYDZXOMQQWBP-KUWBRRTOSA-N 489.536 0.800 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)C1CC1)CCN2C(=O)OCc1ccccc1 1828546924 DYSBCPKACGDKHS-XMMPIXPASA-N 467.478 0.506 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCN3C(=O)OCc3ccccc3)C2)CC1 1828990854 XCIYEYDDEXIEHR-CLOONOSVSA-N 496.568 0.335 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1829132750 DEKDQIWSEZUEON-RUZDIDTESA-N 499.564 0.448 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C(O)O)C3)C2)c1 1829179584 QVESNJQBNRPYSJ-QHCPKHFHSA-N 467.482 0.263 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)c1 1829181534 LQKDHSOWOJNSAJ-XMMPIXPASA-N 493.524 0.620 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ncccn3)C2)C1 1829332222 FKUQEKSWYFMJSI-XMMPIXPASA-N 477.477 0.630 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c(N(C)C)c(F)c3)C2)C1 1829771257 OEITYMGQVCFBPI-XLQQFJOYSA-N 492.523 0.959 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CCN4CCCC4)nc3)C2)C1 1831391945 GYVUBVRRZZBARI-RLWLMLJZSA-N 484.597 0.828 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1831394131 WXTMSQXTBURNSU-SPLOXXLWSA-N 461.906 0.720 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1831405959 NRDFFVCXLWQRKH-HSZRJFAPSA-N 495.598 0.679 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831412654 WMSKBJFNZGFFNN-NTKDMRAZSA-N 499.605 0.701 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831477927 XWFHIKMYSAOVNT-HSZRJFAPSA-N 468.514 0.419 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1831997477 AZAYNNZRFYAFLI-WAIKUNEKSA-N 491.545 0.722 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1831997700 FDYYGWHAADNACN-YCRPNKLZSA-N 485.607 0.539 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833034663 HWZUAJUPYIWWKZ-XMMPIXPASA-N 498.561 0.885 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C)CCO2 1833106922 MQPSZUQSAXZLGN-DVECYGJZSA-N 472.542 0.607 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CC2)CC1 1833477005 GPBGCXFWBNOHJC-VGOFRKELSA-N 474.606 0.620 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1833482709 DYWNKYYRWMKGMF-LJQANCHMSA-N 481.659 0.937 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834239560 CIZDHYAOCGKLDP-UOKFIYJESA-N 489.573 0.960 30 20 JCED N#CCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CC2)CC1 1834400112 IJFKYWJMNPXXHY-UHFFFAOYSA-N 453.503 0.777 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c1 1834676290 ZDYHRLDOAAYRSP-NRFANRHFSA-N 454.575 0.645 30 20 JCED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1)C(=O)O 1834741671 BQNRCXIUOLXHFB-FQEVSTJZSA-N 459.522 0.945 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nc(Br)nn3c1)CCO2 1836256242 HKNNFUYVOVZCHR-SFHVURJKSA-N 463.292 0.475 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1836772489 IOXXEHBTSWNGSF-QHCPKHFHSA-N 490.561 0.675 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837135427 GTUGNBDTKULGGR-WNSKOXEYSA-N 457.483 0.483 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837367832 YGTHXJMNUTZKHS-LJBSOROUSA-N 488.932 0.311 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2)C1 1837496182 GTTYDLSNFWXCEM-WMZHIEFXSA-N 468.547 0.930 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nc1 1837524437 HTPHFCRMXFRLOI-XQHLYRQSSA-N 475.546 0.747 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1837531517 OSUGJGDIBVXAQI-PVHRDILVSA-N 478.590 0.990 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)ccn1 1837531694 TWGSSUKJVBLGAD-VJIOCRDPSA-N 462.503 0.689 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837532810 HDOGIUXNOSJMCS-YNMHEXEPSA-N 468.551 0.277 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838414106 AXTFGWASIZRVFA-QFIPXVFZSA-N 476.555 0.809 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)c(C(F)(F)F)n1 1838635961 OPMLSQITLINEEP-FQEVSTJZSA-N 492.414 0.439 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C)cc(C#N)c4)C3)C2)nn1C 1838835082 IULPWFWBOCCEBB-QHCPKHFHSA-N 453.499 0.993 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1839085696 LGEWFTOVNNKMCY-OIMFZILRSA-N 478.546 0.381 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCOC4)C3)C2)c(C#N)c1 1839133567 WYBNAPDHSQQUHH-CYFREDJKSA-N 457.527 0.992 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1839175003 IAKXKHYAPNJISB-VWLOTQADSA-N 487.553 0.982 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1839175555 PONYONOPSPIWHF-QFIPXVFZSA-N 477.470 0.880 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1839185875 PDZZZPQPPCCQHB-FDDCHVKYSA-N 482.578 0.438 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)c(Cl)c1 1839424007 ICZVCNGAIQUTKA-QFIPXVFZSA-N 484.900 0.484 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)n(C)n1 1839487702 SJJZZBNOOUEZIK-HSZRJFAPSA-N 479.497 0.560 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839578210 WHUDNAOVIMLVEC-NYHFZMIOSA-N 491.570 0.997 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839624395 GGQRYJXJRUCZGF-ZREPJCBASA-N 470.461 0.651 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839645747 QLHZBUCDGGQWBF-CQUCDXOQSA-N 494.589 0.952 30 20 JCED CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043289 PHYZWHUSPQKJCL-OAQYLSRUSA-N 497.957 0.454 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C(F)(F)F)ccn34)C2)C1 1840044613 OBSMISHOBUSKPK-HXUWFJFHSA-N 480.399 0.511 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cnc3ccccc31)CCO2 1840102047 DIKAPJSQCKEITE-DXPRYJPLSA-N 468.558 0.964 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1)c1ccc(O)cc1 1840221759 JCZTXJJDKOWGCC-YKSBVNFPSA-N 467.526 0.637 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c(C#N)c1 1840358499 LIDAGHNXJQIQMI-QHCPKHFHSA-N 468.514 0.248 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840840393 PWDMQJVLOYZCLP-JPYJTQIMSA-N 465.547 0.492 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1840844118 DTXOLOJZEOLRJK-FQCWUYQVSA-N 491.585 0.881 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1840907039 OAEUDJWGTLOEJZ-OPAMFIHVSA-N 461.519 0.396 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1840908156 BTIXKPZIBYJBLU-CHJDIFOWSA-N 493.601 0.911 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)C(C)(C)NCCC#N)C2)C(=O)C1 1842921595 GGBURBFQNVYVSF-UHFFFAOYSA-N 490.605 0.551 30 20 JCED COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314851 FLWMIQKYVJEMLB-LFVJCYFKSA-N 465.547 0.988 30 20 JCED CN[C@H](CC(=O)N1CC2(CCCN2C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)O 1845137120 IUKPJFGANWQXCU-MRXNPFEDSA-N 477.562 0.793 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1847070763 QWOCRJXIODEOGI-GOSISDBHSA-N 496.630 0.778 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1847081343 WPJXPHCBTMHSDY-WJONJSRFSA-N 484.619 0.987 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccsc3)c(=O)n2CCCC(=O)OC)CC1 501761444 GRMWCWOHPRBWOU-UHFFFAOYSA-N 474.608 0.592 30 20 JCED CCOc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1S(=O)(=O)N(C)C 516486223 VKNCYJXWJDOHJX-UHFFFAOYSA-N 486.554 0.890 30 20 JCED N#Cc1c(CCCNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)nn(-c2ccc(F)cc2)c1N 521175904 DSBAWRKVUFGVKK-KRWDZBQOSA-N 483.548 0.695 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 524411202 RGQCLEHJJCUQCH-UHFFFAOYSA-N 478.496 0.465 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)cc2F)c1=O 603795436 PDIFOTYQLSUMAI-UHFFFAOYSA-N 451.495 0.880 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CC(N)=O 608911390 CQKJNMOBYMCCGQ-UHFFFAOYSA-N 456.568 0.366 30 20 JCED COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NC1CCN(CC#N)CC1 609341194 RFVPCPOUGAEYKC-UHFFFAOYSA-N 463.560 0.912 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(N)c3c(C)c(C(=O)OCC)sc3n2)C1=O 726043884 UUGFZCGTWKZEDB-UHFFFAOYSA-N 461.456 0.779 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CC1 728530420 DJZKXBMGDDRLPK-UHFFFAOYSA-N 460.581 0.734 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 856434268 XLIIQWNYUMKKLP-UHFFFAOYSA-N 499.553 0.333 30 20 JCED C[C@H](OC[C@H]1CCCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 921228691 UUQPSAUFJGQTDG-PKOBYXMFSA-N 479.555 0.909 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N=C3NS(=O)(=O)c4ccccc43)cc2)CC1 1115911352 DPZQIZMSZXMJQU-UHFFFAOYSA-N 476.536 0.418 30 20 JCED CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1286857324 QGDVAGKUHZAYOD-LJQANCHMSA-N 496.620 0.915 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1288705143 JTDDEGNQHFJRLL-IAGOWNOFSA-N 453.613 0.987 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C(C)C)n2)c(=O)n1CCOC 1317938889 KTIDAQZGNSWUSR-UHFFFAOYSA-N 450.586 0.792 30 20 JCED Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N2CCSCC2)o1 1542344558 WSODVJRMVMNOMA-HNNXBMFYSA-N 452.562 0.954 30 20 JCED COCC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555417282 KDQDPFKEODSONS-VGOFRKELSA-N 454.535 0.889 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 1557880417 AJLOCVLWKRSJMO-HOCLYGCPSA-N 452.533 0.977 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C#N)C1 1696502961 YNNFYQZVDRWOJR-OAHLLOKOSA-N 450.521 0.630 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1697021312 PKDMHSIPSARHGI-CQSZACIVSA-N 455.338 0.986 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2)[C@@H]1SC(=N)NC1=O 1778085624 VMZUHXGAHMBPLJ-CCDOGKGBSA-N 458.544 0.816 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1778087353 KVARSJZGBPPDMM-YIGJPRQDSA-N 487.557 0.948 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778961500 NMMOWIIYFMGAKH-QZMQVMSPSA-N 481.594 0.993 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)CCO2 1779014964 LPALRXFXIUOYJV-RBABYGSYSA-N 495.580 0.903 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1779322883 MNCFSTKPMLRKLK-UHKKGJDBSA-N 450.584 0.680 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779423330 LEGQCYVSQQMJQJ-DSNBWPPZSA-N 468.551 0.180 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1779985810 SVBAHYORPRINMK-CRICUBBOSA-N 477.521 0.979 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCOCC2)C3)c(C#N)c1 1780686665 NFGJTPUIMGSGAT-RCZVLFRGSA-N 470.570 0.955 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1781166460 PWOUARYCQJBALP-GSRZOBFVSA-N 478.590 0.236 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(I)c(O)cc1O)CCO2 1783053020 SJNZBPXKLXGOCE-KRWDZBQOSA-N 456.236 0.779 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C[C@@H]21 1783535807 ULJRQAOGOARHOL-GNDBENCUSA-N 468.554 0.643 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1784446464 STPOVNBZAGNUFX-CQEAQJRCSA-N 480.562 0.547 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(cnn4C)c3OCC)C[C@@H]21 1784482080 FJULUIITZXARCZ-FVCZOJIISA-N 469.542 0.999 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784747039 NTLCRUCTXVXEBH-WZONZLPQSA-N 499.630 0.948 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2)NC(=O)OC(C)(C)C 1785308301 YOBSWHNGIROBMF-WWEVIYMKSA-N 496.605 0.326 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1785684300 RUGMWNJUMWITMS-ICTHTSFCSA-N 480.537 0.634 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4c(Br)cccc4n3)[C@H]2C1 1788461561 SOKFXTHLZYWGHW-YDHLFZDLSA-N 475.299 0.778 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21)NC(=O)OC(C)(C)C 1792109552 NKJDVPQTFUIESM-ATIWLJMLSA-N 480.562 0.934 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1792256978 OBPRRCFQMBEXEI-JKQORVJESA-N 490.517 0.828 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792272829 XVPOHXMNAWZNTG-QTVXIADOSA-N 458.581 0.053 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)C(C)(C)C 1792921502 PKWCQVICMHJMQP-FLXSYLCISA-N 451.564 0.900 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1793593558 OQLGJDAZHMOMQM-RCJHGTSTSA-N 477.562 0.654 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1793597175 FCIPFXVPHORZKO-HLPPOEQASA-N 478.506 0.991 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 1793777650 YCNYFXOUUHQTKJ-UGNRZPKXSA-N 459.591 0.649 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)cn1 1795887673 AGUYHNMABXEDTM-AJYBTWMASA-N 459.547 0.698 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)cn1 1796074545 UCXKCAHLBSXFNE-JHDGKUDLSA-N 482.562 0.944 30 20 JCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C3)c(C(F)(F)F)n1 1796459412 MKYOFNKOHYEBRV-OPDFLTKYSA-N 464.404 0.822 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc2c(c1)CNC2=O 1797549570 AECSOBVCEKEHGK-BNOGRQSXSA-N 456.499 0.662 30 20 JCED Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3(O)CCCCC3)c(C)n2n1 1797782602 CRPPMEBXOXNHBV-OPMZPASUSA-N 466.542 0.643 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2)c1ccccc1 1797876731 YYDYRGPYNCJIEI-IYWMVGAKSA-N 461.522 0.976 30 20 JCED CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)COc2ccccc2C#N)C3)CC1 1797934466 HLWAGYGGXZIFID-WKCHPHFGSA-N 453.543 0.739 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799645124 CMTWOCIAGDBHKY-JTJHWIPRSA-N 499.568 0.725 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC(=O)c2cnccn2)C3)c1 1799801689 AYAWITPPWWKWON-RMYQPGKMSA-N 462.510 0.678 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(-c3ccc(F)cc3)no1)C2 1800773813 UFMIETHWKKXGQS-USGNIVHTSA-N 456.430 0.486 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 1800980294 DSIGLMUMOXGHGF-LVQVYYBASA-N 457.593 0.656 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN)C2 1802281847 DAGAYFQFEGEEFZ-FZKCQIBNSA-N 453.540 0.389 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1802581318 PWEQNSGFPNHMHR-WIOPSUGQSA-N 465.554 0.488 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1810287548 BBCXHCVBEKJJHU-ZWWUYNHISA-N 451.531 0.816 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CNCP(=O)(O)O)sc3C2)cc1 1814762274 MQFLGSGFJCTDDL-CQSZACIVSA-N 463.456 0.894 30 20 JCED N#Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)ccc1F 1815066857 PUNUMTUJYSTNHY-ZFWWWQNUSA-N 458.519 0.901 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816673918 KBMKLWKZWKHMQI-NXEZZACHSA-N 459.492 0.296 30 20 JCED COCCOCCOCCOCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822206676 ZWNUBXORSYSAQY-KRWDZBQOSA-N 466.491 0.186 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)NC(=O)OC(C)(C)C)sc2C1 1823563285 BIDOTDNUZPRDAO-ZAXLRTNUSA-N 479.559 0.757 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)CC1 1827988145 KKLVLYSJRGKFFQ-CQSZACIVSA-N 491.570 0.696 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1828514143 KPMKHAJOABOUEZ-DFBJGRDBSA-N 498.584 0.581 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829123301 GUDNHUNLGZIYBS-WZOHSFFVSA-N 487.601 0.298 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCNC(=S)NC)CCN2C(=O)OCc1ccccc1 1829134048 WNHYPOSVEZTSSW-QHCPKHFHSA-N 471.583 0.556 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3csnn3)C2)C1 1829330731 PMQWXYVKYXLJBU-JOCHJYFZSA-N 483.506 0.692 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)ccc3-n3ccnn3)C2)C1 1829771266 OVLMLNLCHCDDAT-CVUHLLMESA-N 494.552 0.504 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1829859783 JYWKFPHONPAAPT-NZQKXSOJSA-N 460.506 0.611 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456197 FLOBHLNNWWCNQC-QPPBQGQZSA-N 456.543 0.862 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830761732 WJXMPXSQLSZOTB-WZOHSFFVSA-N 492.617 0.844 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1831425370 UBYZSVZDHPJMNP-RAZUEPIFSA-N 497.589 0.404 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831434190 SLPXNBDQLHQWAI-DQMJNTIXSA-N 497.589 0.406 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1)c1ccccc1 1832022928 VJGIFXBRHFNKGL-CUNXSJBXSA-N 493.560 0.955 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832794076 ZNSHDQGWYWEYFG-HXUWFJFHSA-N 451.480 0.231 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)CC2)CC1 1833075527 WMXSQSHHJJLUAQ-KEJXYCAPSA-N 485.629 0.817 30 20 JCED CN(C)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1833361775 DRZRZDNWANLSHC-VWLOTQADSA-N 470.570 0.916 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1833452055 TZWUQBBYQKDUNO-VQIMIIECSA-N 472.652 0.459 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1833478125 NPNBOCCSVOHXQI-ZWKOTPCHSA-N 472.590 0.758 30 20 JCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1834519006 IMOGFUCGYXFWGT-VWLOTQADSA-N 454.571 0.260 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](N)c3ccccn3)CC2)CC1 1834720944 HPZJDZANWIZZIL-KSEXMQBYSA-N 454.575 0.511 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)C1 1834767508 SFJHJULRMOQZMU-HSZRJFAPSA-N 456.499 0.625 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1835100168 DPWKTAHNEYFXHJ-XMMPIXPASA-N 478.530 0.878 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)c1ccc(O)cc1 1835128540 ZKMSYKCXDFNGFF-QVNIBDNGSA-N 469.538 0.624 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)NCc4ccccc4)C3)C2)CC1 1835338579 MBRQJJLVPXUSSV-DGQXCUQSSA-N 452.511 0.619 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1835677746 WIDAQWJMJXWESY-NRFANRHFSA-N 462.576 0.767 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837154370 WODGSZZYUZKAQL-AREMUKBSSA-N 490.516 0.951 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1837396912 OPXAWRPSHHMQDO-JPYJTQIMSA-N 460.531 0.683 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443502 CQMMGYZHUDXTOQ-ZOFPFIKPSA-N 451.568 0.219 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1837560187 RVQNHNKJMIZFEB-UJGPDUKDSA-N 486.569 0.946 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Br)cn3)CCO2)C1 1837826132 FOEDYFXAGHZYIM-MGPUTAFESA-N 466.332 0.952 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)CCO2 1839043749 QVODAYOXHBVUTG-VWLOTQADSA-N 496.564 0.842 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cn[nH]c4)C3)C2)c(C#N)c1 1839131627 OKJULAOPNWZYDB-DEOSSOPVSA-N 467.526 0.922 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132061 PSFPBNCTMGBBNK-WMZHIEFXSA-N 473.530 0.013 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)c1ccc(O)cc1)CCO2 1839167534 XDFXTNOYCARHKW-NSPFCHEASA-N 457.527 0.811 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@H](C(=O)OC)C3)C2)C1 1839176536 UEMOBLFJRRPNEO-AXHZCLLHSA-N 480.558 0.932 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1839227405 PUEZESKZCRCBFE-OPAMFIHVSA-N 474.518 0.202 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(O)no5)C4)C3)c2c1 1839488470 UKOOWNSFTFIDOA-NRFANRHFSA-N 452.427 0.512 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839692459 YFVOJLVUICQXDN-RUZDIDTESA-N 472.586 0.823 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4c(Br)cc(F)cn4n3)C2)C1 1839810466 YIRNYVMVUVMJND-SFHVURJKSA-N 466.267 0.334 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1839882178 WBAFDNCYWMENFU-OSPHWJPCSA-N 472.542 0.940 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3Br)C2)C1 1840042484 XGQMLAVDOMLEHR-SFHVURJKSA-N 452.261 0.002 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)cc1 1840204831 PCLXCAKZMSMAGG-LJQANCHMSA-N 454.405 0.307 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1840294557 LCGRJWHLUQJUTQ-GCJKJVERSA-N 453.536 0.480 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1cncn1 1840420836 YGQVGGJXCBSGNE-KSFYIVLOSA-N 456.478 0.549 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840799224 ORSJQNWAVVYKRQ-YADARESESA-N 457.527 0.301 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5nc(CO)[nH]c5c4)C3)C2)CCC1 1840813901 CVSRYFZQNHFEMX-HSZRJFAPSA-N 453.499 0.819 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(Br)nn4c3)C2)C1 1840841805 XDHGOZDPVBBMAV-FQEVSTJZSA-N 476.331 0.975 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1840907589 YXIODNNIUNEJEV-NBGIEHNGSA-N 492.617 0.701 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844298431 QEMUTJSOZORPMM-SAHWJRBASA-N 464.563 0.310 30 20 JCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2)NC(=O)OC(C)(C)C 1846934393 ABODXSUPICZTTM-CVEARBPZSA-N 451.568 0.642 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1 33090163 AVEGSWLUPGQCFS-UHFFFAOYSA-N 450.542 0.693 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(-c2ccc(F)cc2F)c1=O 502051758 RBTYIPREZXHAJL-HNNXBMFYSA-N 471.489 0.709 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1ccccn1 523181739 BWYWZHWAYGAMIW-UHFFFAOYSA-N 494.598 0.756 30 20 JCED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434383 NTSZSFAOSYNNMJ-ZDUSSCGKSA-N 486.506 0.429 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2-c2ccc(OC)nc2)CC1 608884427 HIDRENZNAFQLFX-UHFFFAOYSA-N 476.562 0.365 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c1 615281375 JPHPRYLRZQUWEA-UHFFFAOYSA-N 478.615 0.842 30 20 JCED C#CCCN1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 744371387 XDBHMFNRUZXDML-UHFFFAOYSA-N 460.600 0.776 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 749028889 YEVPIQGTYJEIJI-UHFFFAOYSA-N 461.526 0.942 30 20 JCED O=C1C(=NNC(=S)NCCN2CCOCC2)c2cc(Br)ccc2N1Cc1ncon1 750918175 FRCGSDWHQFCJQO-UHFFFAOYSA-N 494.375 0.879 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)cc1 811901537 CQVMWUKQTKRVIM-NRFANRHFSA-N 456.480 0.719 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 838265058 QOQILAYAOTULAK-UHFFFAOYSA-N 465.535 0.104 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](c3nncn3C)C2)c1 918440270 SCEQJBKPFKWQCS-UCXBAENPSA-N 473.559 0.973 30 20 JCED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918445522 IQBQBINHWHSLFQ-SKSQCXPCSA-N 451.549 0.859 30 20 JCED C[C@](C#N)(NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C1CC1 919645571 BWWFSRHZACOFKM-YCRPNKLZSA-N 461.496 0.975 30 20 JCED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1307599693 QZQJBDIXUNBOPL-KBAYOESNSA-N 452.602 0.795 30 20 JCED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1511971427 OAQIIMWEWMQVPT-MAUKXSAKSA-N 457.560 0.908 30 20 JCED CC[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617431503 FVSFIILZVROASW-INZIPBBXSA-N 477.616 0.542 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1=O 1698076697 OYFRAQRDVBLGQF-AEFFLSMTSA-N 451.531 0.979 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722485673 POCAJBNRHZXNCK-CQSZACIVSA-N 475.413 0.299 30 20 JCED C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N1CCOCC1 1723861087 SAJHCKKKUBIKDH-QGZVFWFLSA-N 460.560 0.684 30 20 JCED CC1(C)COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1724032916 UOBUFAJRYBOMTE-OXJNMPFZSA-N 485.586 0.164 30 20 JCED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCOC1 1728797204 ZMIIVFSWWCCTDS-KFKAGJAMSA-N 456.544 0.654 30 20 JCED COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1=O 1730778985 LSQXKTZBAPAYCO-MJGOQNOKSA-N 481.557 0.891 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1768586811 LZGPHLAKYBMFID-GOSISDBHSA-N 487.586 0.393 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1779000278 SNFQVYTZXHNGRR-NQIIRXRSSA-N 453.612 0.932 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1779066472 ZOVXIAPDQJDVEW-RNHFSVANSA-N 457.571 0.916 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)CC1 1781170026 KMBSPWCBXHQOHS-QFIPXVFZSA-N 488.549 0.044 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)C1 1781981441 UTCQTXDSPJDZLK-XGOBVKBUSA-N 451.479 0.498 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1)c1ccc(O)cc1 1782664615 MJZLNBDXCFCIIU-CPJSRVTESA-N 464.522 0.976 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1783130884 VDTOQPUHAUJGKN-WZONZLPQSA-N 469.498 0.003 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@H]4NC(=O)NC4=O)C[C@@H]32)cc1 1783440532 LFJKSOUSYFHWMJ-OKYOBFRVSA-N 453.499 0.069 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(F)c1I)CCO2 1783562605 CNWATTMWPPUPQX-SFHVURJKSA-N 486.237 0.962 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783836321 VEQQPFUUJIREAI-OPAMFIHVSA-N 498.602 0.448 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784354616 ABPLEZFRZISNFD-KOSHJBKYSA-N 499.524 0.056 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)C[C@@H]21 1784482867 HUCXLCMOQGJBCW-JLCRNFDHSA-N 486.569 0.640 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1 1789258341 FQBNHQVTXQPTAU-FIRPJDEBSA-N 458.515 0.311 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344872 XNOCQAARTCYUMV-FJXLLPKBSA-N 451.487 0.088 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906814 MEHITJFPYTVDST-UDDWMFPDSA-N 489.500 0.714 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C[C@@H]21 1791258885 CUTXZBBNMHMZPU-OVWQWFNUSA-N 474.587 0.478 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCn4cncn4)[C@H]3C2)c(C#N)c1 1791522083 LLNXEMUGIOUFNA-YYWHXJBOSA-N 452.515 0.771 30 20 JCED Cc1ccc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)cc1 1792251642 AHDXKCDLFQGRTH-ACRUOGEOSA-N 469.586 0.986 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nnc3C)C[C@@H]21 1792257982 RMBNUQQRWLYCDX-NXOAAHMSSA-N 460.535 0.623 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccn3)C[C@@H]21 1792261264 FXLADWJMAXVDFY-BMFAXAFESA-N 457.531 0.987 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1797598131 NHXGOXXWXJQALN-DFGXFYAUSA-N 479.582 0.036 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1797815409 OOJIPIJYSCPPES-ISGLXAMQSA-N 489.525 0.568 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)c(C#N)c1 1799237344 IIXBPIHNHKJXEE-JLVBRIDZSA-N 454.443 0.644 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2 1799303763 VZJBBIBPCDRSFV-JTOYRKQZSA-N 485.581 0.986 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCN(C)C2 1800129923 BUKOKLIXDVUWKL-UPHUGPLXSA-N 459.547 0.431 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c(C(=O)OCC)ncn2C1 1800324516 HDMUEDNDGFJHBW-IHEQNBGGSA-N 474.558 0.803 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)=NO2)C1 1801993268 NDHWIEPJYLVASZ-SAPPFGIOSA-N 474.514 0.869 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1802051573 AUMDNKLHCCRADY-XWUBNECOSA-N 475.542 0.985 30 20 JCED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807943819 KHSNYRDDCGUGLG-RDTXWAMCSA-N 454.516 0.446 30 20 JCED C[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1822384889 JBQSAAVXZCSCFT-DDHJSBNISA-N 480.616 0.900 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822995610 PLCKYWBBWGARSL-UKRRQHHQSA-N 466.560 0.981 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829051209 YAAGQPWOVWNMJR-DFIYOIEZSA-N 487.601 0.298 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)COc1cccnn1)CCN2C(=O)OCc1ccccc1 1829390603 KPMCXYSQNYLRMP-DEOSSOPVSA-N 463.494 0.941 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)c1=O 1829627334 CMXWVEUGAFSBJC-RUZDIDTESA-N 464.522 0.960 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1829755712 KDMPPIVAUZCNIN-QFIPXVFZSA-N 486.554 0.773 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216228 ZSADBLLPOTVROB-JXQFQVJHSA-N 477.558 0.227 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1831434709 FTOIOOWGYFUQRI-MBSDFSHPSA-N 455.515 0.928 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1831999032 XHLVVHYUJLICRG-HOYKHHGWSA-N 496.605 0.827 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnn(Cc3ccc(OC)cc3)c1)CCO2 1832782637 JQNZCPZJQKMNNV-DEOSSOPVSA-N 452.511 0.572 30 20 JCED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cs1 1832971770 PBXRQQYIADKYSE-BIZQKNBFSA-N 466.560 0.979 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1833314989 JVTXEYYQYRNCTB-DEOSSOPVSA-N 479.493 0.201 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1833400238 OJICTXFVYFKHNW-IBYPTGSDSA-N 490.538 0.267 30 20 JCED CN(CC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)C(=O)c1ccccc1 1833414498 CASDFPGHXWNBIF-UHFFFAOYSA-N 454.527 0.418 30 20 JCED C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833521638 RYHOCZMTVQIJBM-GOMWODOQSA-N 451.568 0.599 30 20 JCED Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1833841246 HANQIUKRATVMOD-LJQANCHMSA-N 479.419 0.484 30 20 JCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)Cc4cn5c(nc4=O)SCC5)CC3)CC2)CC1 1834601178 ZIVGSHJBQAYJOB-UHFFFAOYSA-N 470.599 0.767 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C(F)(F)F)cc1)CCO2 1835076588 RVMRONYJWUTXDF-HXUWFJFHSA-N 454.401 0.792 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nnc4cc(C)nn4c3C)CC2)CC1 1835339054 ALGAHHZWDWUGRN-GOSISDBHSA-N 467.574 0.965 30 20 JCED O=C(CCN1CCOC1=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835453719 JOAMAFNRFNFWBJ-ZRZWOPFXSA-N 479.578 0.929 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642576 RSOXHRCGEODFHL-DVECYGJZSA-N 480.606 0.879 30 20 JCED CC(C)N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)C 1835675032 UEMJENIVZRTKMT-CVDCTZTESA-N 451.612 0.747 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1836777168 XXVIXAYZGBNAGH-NRFANRHFSA-N 463.560 0.006 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc4nncn4c2)CCO3)c(C#N)c1 1837019244 PBJRUXAYVXXRBB-VWLOTQADSA-N 490.520 0.922 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837291770 QDMJKTXENKZLDP-NLSFWIRASA-N 459.499 0.769 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1837486555 JHGFTXTXHNEHAL-VWLOTQADSA-N 481.553 0.586 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1C 1837525239 LBWQHNZPOFNUAK-QOZQDQEPSA-N 463.535 0.256 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)C=C)CCO2)C1 1837702391 ACTFIALSWZLWER-HOOSLVGPSA-N 494.589 0.603 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]cnc3-c3cccnc3)CCO2)C1 1838495757 CROIDTQNNZCJTM-XMMPIXPASA-N 481.557 0.824 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838508543 CDTSZSRDVGMATM-QHCPKHFHSA-N 485.566 0.855 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(C#N)c5)CCO4)C3)c(C)n2n1 1838906815 HRYDHJGOUCJTKG-DEOSSOPVSA-N 475.509 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)ccc1C)CCO2 1839357748 HZDSSIFWFHGSMK-IBLIISRWSA-N 457.527 0.932 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1839364876 RUGHPXNZTPLVPU-QFIPXVFZSA-N 488.591 0.683 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420777 DEVYVUYFFNUHOO-FYSMJZIKSA-N 496.499 0.376 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1839422201 IFIVKWJBOBKLAM-IBGZPJMESA-N 472.395 0.446 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H]5CCC(=O)NC5)C4)C3)c2c1 1839486194 MYQDJNUXUYGBIR-HJPURHCSSA-N 466.498 0.031 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC5(O)CCC5)C4)C3)c2c1 1839489450 WRISTOSPZNJEGF-QHCPKHFHSA-N 453.499 0.810 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839513696 XNTUJEPLBIOQMB-UUOWRZLLSA-N 470.526 0.979 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839577991 KIYPSWDTKDLNPF-SBUREZEXSA-N 490.582 0.769 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839646654 KBNLAAUMEWVRFO-BUNLYOHQSA-N 461.540 0.983 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718482 XICMEVCPDKEQEA-MBSDFSHPSA-N 474.514 0.981 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(-c4ccccc4)n3)C2)C1 1840042735 METPMUHFZVFAPZ-JOCHJYFZSA-N 455.492 0.968 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044117 LSZNTTMZKQFWIX-YRUKQIKQSA-N 491.541 0.178 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1840159708 LCARCIPDQPJRFR-BXTJHSDWSA-N 460.597 0.003 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1)NC(=O)OC(C)(C)C 1840795886 ICHMVIBFCWDZRV-HXOBKFHXSA-N 482.578 0.438 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1840819372 HCKHQIPNHWNZBY-XMMPIXPASA-N 476.493 0.979 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C)C2)C1 1840909606 XQKLYGUTBGZMMP-ZHRRBRCNSA-N 493.586 0.833 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1840916221 BWLSULFJTXOIBM-NTKDMRAZSA-N 481.590 0.911 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840941280 CVFYBQUTLARROW-DEOSSOPVSA-N 456.543 0.879 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 503345058 REHMNTGSIRGARL-CALCHBBNSA-N 493.586 0.039 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)cc1F 517983894 HCQAIUAEQLSACJ-UHFFFAOYSA-N 486.569 0.686 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)cc2OC)c1=O 523090250 ROUFLBKJYDECIV-UHFFFAOYSA-N 473.551 0.325 30 20 JCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cc1 603796348 OBYUPAFXOLWSAL-UHFFFAOYSA-N 484.622 0.916 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 728551363 ILWPZTGTYOVLRW-IBGZPJMESA-N 475.615 0.906 30 20 JCED Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCS(C)(=O)=O)c1 729673311 YGCMUTQRKGHYPQ-UHFFFAOYSA-N 470.576 0.691 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCS(C)(=O)=O 729673429 OYXRHCCIZOMOFB-UHFFFAOYSA-N 451.545 0.369 30 20 JCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)cn2)cc1 748113663 AGTFEVDRUAUGAS-UHFFFAOYSA-N 459.484 0.462 30 20 JCED CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 856694932 XPSXBCPLJIKMPW-OAHLLOKOSA-N 466.516 0.725 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)ccc1F 914658948 SMRAUKWPIQLWJO-UHFFFAOYSA-N 497.526 0.684 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 917232406 FAXCQNRNJFKALO-UHFFFAOYSA-N 480.587 0.367 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)c1cccc(-c2nnnn2C)c1 917440819 OKRBSZQZEXWIRL-UHFFFAOYSA-N 465.499 0.846 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919644406 BKNGMQZVUASJDX-GXTWGEPZSA-N 465.484 0.567 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1316360055 PNCRODFJIITKGZ-AWEZNQCLSA-N 455.338 0.986 30 20 JCED C=CCn1cnn(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1=S 1318332158 KNDGRRJGGXDLOR-UHFFFAOYSA-N 450.546 0.895 30 20 JCED N#Cc1sccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 1461543733 NEUDYXCICBWRBE-UHFFFAOYSA-N 459.553 0.703 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552382517 SIMBYDJFYDXEIU-LJQANCHMSA-N 454.560 0.933 30 20 JCED CS[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555842659 WGOCGZSHHGQLAZ-OIISXLGYSA-N 469.637 0.539 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cccc(OCCN3CCOCC3)c2)cc1 1597691874 NFSGFGVTIAGVRX-UHFFFAOYSA-N 458.540 0.864 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)[C@H](C#N)C1 1638203030 ITBPOZRAIOJNEJ-QZTJIDSGSA-N 453.499 0.934 30 20 JCED Cn1c(O)nc(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)cc1=O 1647909564 JENJMSXMOMMJNS-KGLIPLIRSA-N 456.890 0.759 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCc2ccccc2C1 1692804708 TUMUASMSHZNJKS-APWZRJJASA-N 459.576 0.675 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N(C)C 1696676494 ODNBBIZVZQSIQA-QGZVFWFLSA-N 466.589 0.580 30 20 JCED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1723894262 LOPPYUZHGDTNQT-KRWDZBQOSA-N 490.586 0.847 30 20 JCED CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1729207803 WATNCNORFOBWDI-OAHLLOKOSA-N 474.609 0.176 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1729299044 PFHLPDXSTKXTNO-WOJBJXKFSA-N 452.563 0.935 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1767010908 RSDZCPKPEYYOFD-UHFFFAOYSA-N 472.571 0.937 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(N)=O)C3)c(C(F)(F)F)n1 1777758212 NAHVQZCBWPMFBD-AUUYWEPGSA-N 468.436 0.768 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779016113 MUUNZDVGWKRTLH-ZXPMEVTHSA-N 472.546 0.294 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1781270536 HMLGKRAJXSFMAN-HOYKHHGWSA-N 497.589 0.990 30 20 JCED CCCN1CCN(c2ccc(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2)CC1 1782149630 RBDQUFFCEILKJE-VWLOTQADSA-N 468.554 0.750 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1782804165 UMCYOZBUEPNHHC-RPWUZVMVSA-N 456.543 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1783531712 SAZVVOFHVRTRQT-RZXAPVBSSA-N 471.539 0.208 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccccc1I)CCO2 1783558503 QYETZZUCLSBGKN-LJQANCHMSA-N 482.274 0.752 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)[C@H]2C1 1783565174 JMXZEVXIEOVHMT-VXEMUYFQSA-N 475.542 0.797 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783644475 ZNRZZPLPEGLLNQ-MEICDQCUSA-N 491.541 0.176 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CNC(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784087973 GGBSZDCBSGQMKN-JTSKRJEESA-N 450.536 0.518 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]3C2)c(O)n1 1784441513 SAGUTEJSOFIKNU-LPWQTFTOSA-N 494.614 0.827 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1784478285 YWGBYBNLPFLZKT-BCYZHJNNSA-N 467.563 0.280 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1785575014 WXKOQFHEFCKALH-QRQCRPRQSA-N 475.502 0.248 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1785577633 RHCAKQXYEANDMQ-QVKFZJNVSA-N 478.575 0.643 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1785594628 WZYKSRZGMPEPDY-ZGNKEGEESA-N 476.578 0.126 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1788544141 QBKJHUCQXKEQLQ-FJIDUMEYSA-N 493.561 0.685 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]2C1)C(F)(F)F 1788640804 YCQMIAFRHBTSFN-VGWMRTNUSA-N 450.410 0.579 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4cn5c(nc4=O)SCC5)[C@H]3C2)c1 1789708564 ZQTYAOBTQOXFNE-ZVZYQTTQSA-N 468.539 0.385 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1792259058 VPIQPVAHBRCWIE-MUGJNUQGSA-N 490.601 0.895 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1792527820 NDLGSXJELMQKQJ-KNJMJIDISA-N 491.585 0.783 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O)c1ccc(O)cc1 1793946414 KPNFQSFBGNQERV-XTBXCEEOSA-N 468.510 0.077 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CN 1795514206 HMDVVSXCYGHPKA-ZSXDVEMLSA-N 450.580 0.868 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nnc(C)o1 1795792144 BGLRSDKBTWARDW-RCJHGTSTSA-N 461.519 0.427 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)n1 1797837745 LKXXPMBTEBSOPF-LLQNAPDVSA-N 455.515 0.589 30 20 JCED COC(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)s1 1799045756 MHXAGDATWGVFEX-CCWDJLKJSA-N 462.572 0.949 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1799354280 WNKJZLRHFYZLNU-CYGHRXIMSA-N 461.519 0.365 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cn4c(nc2=O)SCC4)C3)c1 1799800614 ZIOXMDKCSIMXKX-CEQLMSFQSA-N 479.562 0.975 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O 1800534485 CKDABLWBEJITBG-JDNQWYDXSA-N 486.569 0.972 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1800945077 SVBRFQLNLUIFBA-KYHPRHEASA-N 486.591 0.208 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1800989457 JEAQYJZVHDLPCR-IBEHDNSVSA-N 487.623 0.236 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1802124445 BCEVRLYALDKUJR-WEMPKCCASA-N 490.601 0.895 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C2 1802138507 JNROXSYYCDZQAA-PQTWZCJSSA-N 478.590 0.960 30 20 JCED CS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1 1802775737 WPZGSEYVEHJIAA-LAUBAEHRSA-N 455.492 0.893 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804095177 ZUIKBAZEDUHSEE-UZLBHIALSA-N 457.487 0.149 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CNC(=O)c2cccnc2)[C@@H]1c1cccnc1 1804364487 BYLONDXPQCVGTA-YJGAIIDWSA-N 476.537 0.771 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807153091 WGOFALOTMODONT-NNWRFLSQSA-N 494.600 0.840 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1810388271 MFWJVLHTEAOGTJ-GQYHHGBWSA-N 452.471 0.351 30 20 JCED N#Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](O)N4CCOCC4)sc3C2)ccc1F 1819890494 LPRVNDGLSJIQJC-YCRPNKLZSA-N 473.530 0.959 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825328354 HINBJVCFRBQZOD-INIZCTEOSA-N 464.588 0.040 30 20 JCED CC(C)[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828584452 JDZDBDSFQJLOHG-SFYKDHMMSA-N 477.631 0.679 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1829346708 ZIXHGYWJXAFCCS-OYHNWAKOSA-N 473.555 0.633 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1829353132 SKUXKMPQOCWGML-CYFREDJKSA-N 471.558 0.607 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829373197 KDZGPZBYDOBDEQ-DVECYGJZSA-N 452.511 0.598 30 20 JCED O=C1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CN1 1830464609 OPKOCHRRATUKLQ-WZONZLPQSA-N 459.930 0.674 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221517 PLZLVZZYZHJFGP-MHECFPHRSA-N 493.557 0.313 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(=O)OC)c3ccccc3)C2)C1 1831388349 RDHDVDZGBTUUAL-MFSJNOQSSA-N 473.526 0.578 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831573609 NOCPTONGVBKWPR-DGGJZMOXSA-N 496.561 0.411 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1831998660 QHSURBMOLHFGIH-GAJHUEQPSA-N 483.562 0.865 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1831998674 QRXUPDPKQWYFBJ-SBUREZEXSA-N 493.561 0.846 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1831998951 VGQLHYAIZKJQDQ-MHECFPHRSA-N 494.589 0.535 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncn(-c5cccc(F)c5)n4)CCO3)C2)CC1 1833351601 NTFPGXMGJWUKHV-JOCHJYFZSA-N 454.462 0.780 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)c(O)n1 1833700305 UFZXMLJEELJKGU-QHCPKHFHSA-N 469.498 0.785 30 20 JCED C[C@H](Cc1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682935 YXTPIUKWGMNKMD-NTKDMRAZSA-N 457.575 0.998 30 20 JCED COCCOCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767482 AEXIGSKLKFAPQL-PXJFTPKESA-N 454.568 0.750 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c1I 1836233559 YUHQMCFHZZSSFC-KRWDZBQOSA-N 487.298 0.560 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1836337825 WYAZQJMOZQIKGE-KRWDZBQOSA-N 487.626 0.501 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4ncccn4n2)CCO3)c(C#N)c1 1836872889 OLGQOLKHKGVZKN-VWLOTQADSA-N 490.520 0.922 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837382093 WQGZZHGQPABTPS-HJPURHCSSA-N 473.530 0.344 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1837402428 BCEWNMMUKUWGKW-AVRDEDQJSA-N 463.487 0.944 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837483381 NGCJKMLXWJLMMR-OSPHWJPCSA-N 482.516 0.987 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837488959 WDUCAPRHWYOEIT-XMMPIXPASA-N 472.542 0.644 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1ccccc1=O 1837491155 VRJKPAWTXVLPKR-CJFMBICVSA-N 471.554 0.564 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1837524314 FFRNGAADGFYLEK-CLKOVTOYSA-N 455.405 0.872 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837524820 OCPXPVDCVRMSRQ-OYHJGKDFSA-N 477.518 0.474 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)NC(=O)c2cnccn2)CCO3)c1 1837609487 TXLSCBSWFATWBT-BVZFJXPGSA-N 492.536 0.545 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)c1 1838582510 PQWYFMIFPQSRKS-DEOSSOPVSA-N 476.493 0.993 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)c1 1838798254 KGDUTUQBWVGNCJ-HSZRJFAPSA-N 454.483 0.741 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838798655 CABVSVSZVZHRBM-UZUQRXQVSA-N 494.545 0.706 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(OC)n(C)n2)CCO3)c(C#N)c1 1838834688 SEQZTNJJCCPOCJ-XMMPIXPASA-N 483.525 0.622 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1839173166 CJVIACNWYISUCY-JOCHJYFZSA-N 491.570 0.608 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)CCOC1 1839191776 NODNCMZYCLVKDV-SFTDATJTSA-N 452.508 0.040 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839418905 ASVGOOWXIYCEPT-IYZQMXKPSA-N 456.474 0.626 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnn4)C3)C2)c1 1839454138 WDLKBOPAQPSNGA-HSZRJFAPSA-N 451.483 0.806 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cccn1 1839489147 ODLOXSDFTLZISU-HJPURHCSSA-N 463.498 0.962 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839719011 YXCQOQQDWMSWTL-HRAATJIYSA-N 479.490 0.014 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NO[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 1839810858 VUDJYBDATGTUAK-PKTZIBPZSA-N 476.530 0.232 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840164950 UFLQYCVTEAASLX-FRGQSVFDSA-N 499.630 0.643 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCC)CCO2)C1 1840526061 XZFRLNZKCKUIAD-FDDCHVKYSA-N 467.563 0.786 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1840795720 YEFRUQZIXBMONN-XFAGBWLFSA-N 496.605 0.814 30 20 JCED CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)C(=O)c1ccccc1 1840812462 SHJUBIQETMNQQN-XMMPIXPASA-N 454.527 0.909 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccc1)CCO2 1840902146 GREYJVURTUMFKW-DFBJGRDBSA-N 487.553 0.771 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1840909291 PNNUMPYOCNNWTR-SBUREZEXSA-N 493.557 0.313 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(N)=O)cc1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841488926 XTSXHDCNEYGACV-GOSISDBHSA-N 498.536 0.513 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)CC1 1845137444 WBDSSUSYIAGHHE-GOSISDBHSA-N 491.589 0.381 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCN1CCN(C)CC1)C2 1847068733 HTMNNVXHFFFSCD-IBGZPJMESA-N 461.607 0.744 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=O)c1cccnc1)C2 1847070916 YZJPMMPRMXKKQI-GOSISDBHSA-N 469.542 0.931 30 20 JCED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)CC2)cc1 27945176 RXBXTCODSJTEML-UHFFFAOYSA-N 459.528 0.664 30 20 JCED CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480182536 NGSWJOVHFXKJFA-INIZCTEOSA-N 455.536 0.889 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 501762626 OANBYZAXVXEAKX-UHFFFAOYSA-N 470.507 0.897 30 20 JCED CCn1c(=O)c(=O)n(CC(=O)N(CC#N)c2ccccc2)c2cc(S(=O)(=O)N(C)C)ccc21 502859596 XOZJYOPJJIWZDH-UHFFFAOYSA-N 469.523 0.990 30 20 JCED N#Cc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1 504636246 DDJHLFWWEPQDDQ-UHFFFAOYSA-N 479.562 0.805 30 20 JCED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 505853630 QHYBHSLGWBSPHG-UHFFFAOYSA-N 452.562 0.883 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 521469738 OQQXTMFLGNCMFJ-UHFFFAOYSA-N 477.568 0.553 30 20 JCED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 524281237 MWGVIGVEBUYVGG-UHFFFAOYSA-N 462.597 0.104 30 20 JCED Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)c(C#N)c2N)cc1 552143992 PZRMUJWSKSUAEG-LJQANCHMSA-N 479.585 0.864 30 20 JCED N#Cc1ccc(CN2CCCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)cc1 591415325 PSJSRARJZWXPJA-UHFFFAOYSA-N 468.602 0.069 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 603942402 BCZDITWBEUVLFA-UHFFFAOYSA-N 478.552 0.174 30 20 JCED COc1c(Cl)cc(Cl)cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(N)=O)c1=O 608910681 CHGUHKLIALQKFR-UHFFFAOYSA-N 481.361 0.836 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)cc1 608912821 FLKPFMMWZGXNHT-UHFFFAOYSA-N 488.635 0.583 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccccc2I)c1=O 725764285 MVQFEJHWHBDVDK-UHFFFAOYSA-N 483.331 0.800 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cc(C)n(CCOC)c3C)c2=O)cn1 726180414 ISDGVHMMUZORNK-UHFFFAOYSA-N 498.609 0.446 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 727010764 LIHFHYCWBNDQST-UHFFFAOYSA-N 486.506 0.491 30 20 JCED CCOC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918288223 IELOPMANUDTVDT-OQKWZONESA-N 465.532 0.739 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 918605173 WVWDGPQIZIALPQ-QGZVFWFLSA-N 475.571 0.089 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 918872433 NGEHLUYXWYKPQW-UHFFFAOYSA-N 490.582 0.910 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1=O 1316125685 NDYRWVUDTFCMMO-UHFFFAOYSA-N 472.571 0.937 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)c1cc(S(N)(=O)=O)c(Br)s1 1464558756 VBEXNSFUXCPWJV-UHFFFAOYSA-N 451.368 0.846 30 20 JCED N#Cc1cn(CC(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)c(=O)nc1O 1546130419 PNLUKVRCQYNACY-IBGZPJMESA-N 450.499 0.156 30 20 JCED C[C@H](CC(=O)N1CCC(O)(CN2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1597312312 MEBXNPZLUZEXRY-MRXNPFEDSA-N 450.561 0.189 30 20 JCED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617714968 OEJHMCAMCNATAT-IBGZPJMESA-N 484.586 0.797 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1731011010 WANXWOAYDMUNJM-KRWDZBQOSA-N 478.600 0.723 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)N1CCOCC1 1741675223 TVGLQGMWZZTXGY-SFHVURJKSA-N 467.578 0.730 30 20 JCED COc1cc2c(cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)O[C@@H](C)C2 1748582820 JSHCEGFURFXHOK-ZQIUZPCESA-N 476.559 0.997 30 20 JCED CNC(=O)c1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1769185908 SIWYNUHYHMJUAQ-QAPCUYQASA-N 475.575 0.615 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CC[C@]4(CN(C(=O)CCC#N)CCO4)C3)c2C1 1778368007 BBMFTUJQHYBQDX-QFIPXVFZSA-N 473.534 0.776 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn3cccnc3n2)C1 1778986005 RJWZFXRZXARSSX-YUVPUZHMSA-N 452.515 0.715 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1779106606 LQXQKGLHADWKBO-WCNTUGILSA-N 477.474 0.115 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2I)C1 1779711037 UYAFOCILRIRDBC-SJKOYZFVSA-N 486.266 0.230 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c(C#N)c1 1781172813 GRPNHZCSNYYJGJ-QFIPXVFZSA-N 453.503 0.272 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2)[C@@H]1CCCS1(=O)=O 1781654449 HDYRXYNVDVVPAH-ZRDVYVFISA-N 451.545 0.790 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)ccc1Br 1781902153 AMOXQSPOAVNRLE-HXUWFJFHSA-N 475.347 0.604 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)ccc1Br 1781906084 JPPXXYHMECOYLL-NRFANRHFSA-N 487.310 0.689 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1)c1cccs1 1782674580 MSVJFWMZJVTNOL-FHOSRQNYSA-N 458.496 0.892 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)NC(=O)OC(C)(C)C 1782751293 WQCLCOGYFATELR-HJPURHCSSA-N 496.561 0.219 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1)c1ccc(O)cc1 1783262565 YBQUNTSHDFUFAR-PXDATVDWSA-N 473.570 0.006 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783682445 MRQXOKBJBCJGNF-XXBNENTESA-N 472.579 0.086 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)N(C(=O)OC(C)(C)C)C1 1784089624 WBBSBOZRWQHJMI-YTZAWJCFSA-N 476.574 0.908 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC#C)NC(=O)OC(C)(C)C)C[C@@H]21 1784486733 MCMGOEPMSOPHAF-FSGKZVOOSA-N 461.559 0.921 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3CS(C)(=O)=O)C[C@@H]21 1784501737 SVZUSMJHKFQGJL-DUPRYPCISA-N 465.572 0.811 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1785307904 QJLRJUWGEINETO-IMWIBFENSA-N 496.605 0.827 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]2C1 1786844090 FJZQZQKVLJKPLG-FKSLSLAPSA-N 466.579 0.247 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1786857893 IOJDUPYJUQHTPC-XIRDDKMYSA-N 455.519 0.310 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCN(C)CC4)[C@H]3C2)c(O)n1 1788192104 HAIAWTWLWDWDNJ-NYVOZVTQSA-N 471.602 0.747 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1788640552 XQGXLGXDEHNOID-CMOCDZPBSA-N 456.495 0.513 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791077663 CGLURPWLONWGRU-OWSLCNJRSA-N 463.531 0.701 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1791101844 DJRUQLQONQKPKJ-QXKUPLGCSA-N 473.592 0.741 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]2C1 1791142722 CDAOJBZEXBJVGG-TUFLPTIASA-N 472.579 0.253 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C[C@@H]21 1791263740 LINPKSBVAIYDEI-RVPHFEHCSA-N 457.593 0.968 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1791843905 SCSRPZPRPWJFJY-NRVHICEFSA-N 461.559 0.775 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1792792821 NBFGSCQOZNWYFA-WWNJNWKKSA-N 457.593 0.814 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793262793 OMTPBJAUNLCGSH-AJYBTWMASA-N 491.589 0.331 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C 1795185290 RKLCAGRJEFXVCB-DMUMMCEESA-N 450.580 0.834 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)NC(=O)CC2 1796105313 CVZFGPPMFAZIIA-CWPLJXCYSA-N 456.499 0.679 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797740479 LPFBOHDKIPGLII-WVRYWXATSA-N 495.621 0.976 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Cn1cncn1 1797903787 XZDYGNHIEHMWOD-UJWQCDCRSA-N 474.562 0.420 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncn4nc(N5CCOCC5)ccc24)C3)c1 1798693933 HJINYKOQTNKWPV-UPHUGPLXSA-N 490.524 0.283 30 20 JCED N#CCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806289493 PFUCFNUPXQECHP-AXVVYFOYSA-N 470.555 0.181 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810328400 IGMNCCSBRKBJSK-MDNUFGMLSA-N 470.570 0.437 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3cn4[nH]cnc(=O)c4c3C)sc2C1 1821217322 FWFPKCFSPJRWCO-FMFIFOJESA-N 481.538 0.872 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1828580469 RHUYPDOXUGQPFX-JVFUWBCBSA-N 498.536 0.585 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3ccnn3)C2)C1 1828580964 XEWBTWUGZIFPIX-NLFFAJNJSA-N 494.552 0.769 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)cc(F)c3)C2)C1 1829773673 QBYGBNCGNWNFHP-UUMVVRSSSA-N 459.518 0.991 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1831215449 NTWYALCQTKQYJM-DEOSSOPVSA-N 450.495 0.649 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831388052 PKUWVGBQBMFNJQ-MHECFPHRSA-N 477.558 0.658 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1831409037 HSLFWZKROWZGCB-VWLOTQADSA-N 484.553 0.986 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1831998878 USRUONZTCUEMSC-KSFYIVLOSA-N 463.535 0.949 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1832461518 YJYMQPIYIDFSRJ-RSEQLOHWSA-N 489.638 0.997 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1833478390 VINPEDXDWBCJLP-HRAATJIYSA-N 467.563 0.644 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833570989 ZXOBNGOFYPKSOE-AXDLBROPSA-N 464.498 0.324 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN(C)C(C)=O)C3)C2)c(O)n1 1833697112 VGTHVYMLICZAFR-XMMPIXPASA-N 474.558 0.844 30 20 JCED CN1N=C(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)CCC1=O 1834715465 HFCONZBVNJZYIY-UHFFFAOYSA-N 459.595 0.448 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1)c1ccccc1 1835256242 DBGCRAUMACCFML-NFBKMPQASA-N 462.568 0.685 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835513853 LGPSWEVWFRQNNU-OPAMFIHVSA-N 499.634 0.929 30 20 JCED CC(C)N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)C 1835675035 UEMJENIVZRTKMT-WMZHIEFXSA-N 451.612 0.747 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3Cc4ccccc4CN3)CCO2)C1 1836485443 WZEYRKPWJVLGTQ-NSXLHWASSA-N 458.559 0.958 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)cc1C#N 1836677557 FLLBAKFMHSVVPB-SANMLTNESA-N 499.612 0.663 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836776139 DDAMIQHLGLFPJY-UWJYYQICSA-N 465.576 0.041 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836895660 KPIIMNFFFDBXKX-XMMPIXPASA-N 476.493 0.750 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1)c1ccccc1 1837274872 VBTDLWLOYGIUQS-NBGIEHNGSA-N 480.569 0.973 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1837403127 NYCQWOXUPRSUDV-AUSIDOKSSA-N 472.579 0.086 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1837440550 MWUGNKISIHUPLA-BLVRKAHLSA-N 489.617 0.706 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1837492683 OTURRNSVQFKQGK-ISJBWFOZSA-N 487.597 0.542 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1837530909 SWJQJCPKWYBCOF-BTYRIHFPSA-N 498.540 0.866 30 20 JCED CNC(=S)NCCC(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869377 NAOXAQAIUBAKLS-UHFFFAOYSA-N 466.652 0.751 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)nc(OC)c1)CCO2 1838228059 AKEAQKAVQBQRIE-XSAUMEDDSA-N 478.933 0.672 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)c21 1838437496 DOPMNCHLXSKPLQ-DEOSSOPVSA-N 484.557 0.631 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])CCO2)C1 1838542562 IMCKETNKCVZYOX-GAJHUEQPSA-N 474.514 0.769 30 20 JCED CN1N=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2Cl)CCO3)CCC1=O 1838595664 YIWICBASUFRNST-JOCHJYFZSA-N 473.917 0.890 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839083901 KOZSUSVFOQXMRB-IECBHUPTSA-N 477.558 0.353 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1839173353 LLQNAENFUJFHJY-QHCPKHFHSA-N 471.514 0.397 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3OC)C2)C1 1839175102 PHKLDUDXRZIXNP-HSZRJFAPSA-N 461.515 0.978 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1839176020 RIQZADHMZFASOP-COIATFDQSA-N 490.509 0.782 30 20 JCED CC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n[nH]1 1839186686 JJSOVMANIVPEIO-QHCPKHFHSA-N 469.473 0.936 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(CC#N)cc5)CCO4)C3)CC2)CC1 1839362972 ZYTNKENXESXWPQ-VWLOTQADSA-N 481.597 0.603 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839882968 HLHAYUQEGXVMIT-MBSDFSHPSA-N 482.578 0.438 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1840166501 MCHZKNGCOJPEEE-VWLOTQADSA-N 467.522 0.933 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C(=O)OC)cc1)CCO2 1840278125 UGFXIIJNYKECIJ-KWQGRVAKSA-N 485.537 0.331 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840802240 ZLZCQXGRUKDNIQ-HXOBKFHXSA-N 469.579 0.931 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840819616 WHMGYUDARCNZMD-QHCPKHFHSA-N 468.466 0.513 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840836044 VOFFTNMMVUZGJJ-STBWGQHPSA-N 481.546 0.943 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC4(CCCN4C(=O)C(C)(C)NCCC#N)C3)csc2n(C)c1=O 1842920732 SHWRDESOYSMZPS-UHFFFAOYSA-N 486.598 0.326 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)CC1 1845137607 OCXLMGSIITUIGV-IRXDYDNUSA-N 461.563 0.453 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846460944 WSXVHRYZQYRTBO-QGZVFWFLSA-N 472.542 0.812 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccccc2I)c1=O 23297476 XQXSUMYXGNRULZ-UHFFFAOYSA-N 468.251 0.787 30 20 JCED C[C@]1(c2cccs2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 105413188 BCPHYSLYLJEIPS-OAQYLSRUSA-N 487.563 0.920 30 20 JCED C=CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[C@H]1CCS(=O)(=O)C1 498018772 JKIJUFASKXSNFO-HNNXBMFYSA-N 468.601 0.958 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 502570419 ONPBHDRJQGDKHE-UHFFFAOYSA-N 492.598 0.933 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCc1ccccn1 523178551 YGJIVNVPCYIUPZ-UHFFFAOYSA-N 497.558 0.879 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccccc3OC)c2=O)cn1 523576939 LASAGLRXDUSPLN-UHFFFAOYSA-N 467.551 0.780 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O 608911563 JQNCZGFSGRWKNJ-UHFFFAOYSA-N 452.458 0.689 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(OCc3ccccc3F)cc2)c(=O)n1CC(N)=O 727161284 UTUQFUKOYQWSJU-UHFFFAOYSA-N 492.532 0.895 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCS(C)(=O)=O 729671488 PIGLXKRFXXHTQO-UHFFFAOYSA-N 495.598 0.448 30 20 JCED CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cc1 729673316 YNEAGVFAPXNKQX-UHFFFAOYSA-N 459.593 0.859 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N(C)CC(=O)NCCC 730029995 ZPIOODLNDQEMCK-HSZRJFAPSA-N 456.499 0.679 30 20 JCED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 916952640 MLNXZHNZCNJRBV-GOSISDBHSA-N 456.480 0.777 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3nc(S(C)(=O)=O)n4ccccc34)CC2)o1 920643577 JTUWLWFSBILIPT-UHFFFAOYSA-N 472.483 0.412 30 20 JCED CC[C@H](C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)NCCN1CCOCC1 1125005861 UFQVOWUAEHQGIE-LQBOVUBWSA-N 455.559 0.890 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1nncn1C 1301045461 UPFIASKKDZYMMH-UONOGXRCSA-N 456.960 0.834 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(O)CC1 1303642055 UGEGDUVIGQZQBR-AEFFLSMTSA-N 469.612 0.196 30 20 JCED CN(C)S(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1314674519 UHUYYCPOVAALCQ-MRXNPFEDSA-N 481.966 0.482 30 20 JCED CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(=O)N1CCOCC1 1541670378 PGAOTTRVHYKQJD-UHFFFAOYSA-N 480.573 0.863 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCC[C@@H](O)C2)C1 1620171096 SLEXRZAFSGVDSR-KURKYZTESA-N 452.581 0.902 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696491024 VBLJPBUAOJCZBD-SFHVURJKSA-N 478.623 0.249 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)(F)F)CC1 1761546877 KNULVHDTHYUVQD-CYBMUJFWSA-N 493.512 0.420 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778262268 XOBJOUQIIVSODX-NLFFAJNJSA-N 493.649 0.923 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1778830967 AWVDLMUCKWMKLJ-SEPYTNNBSA-N 463.531 0.845 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779074393 QBLPSKBDGWYQFQ-XXBNENTESA-N 464.515 0.010 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779103506 WETJEDOKMJAKSV-GFTQESKRSA-N 452.508 0.874 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)CC2)CC1 1779104727 GBIWCDHJITXTRQ-GVWIZHFKSA-N 463.579 0.125 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 1779901384 PILPULCIJSQTNJ-QMHKHESXSA-N 473.530 0.845 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(=O)n5[nH]cnc5n4)CCO3)C2)c1Cl 1780192345 UJBXJVXZDYEWRU-NRFANRHFSA-N 467.873 0.700 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCN(C)CC1)C2 1780739435 JOLMPLDWBFIRLC-HYBUGGRVSA-N 464.607 0.647 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780924741 RHVPNFUYEOXANM-VGSWGCGISA-N 494.639 0.626 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1781389972 AWMRNDLKKGMNAT-YWZLYKJASA-N 452.533 0.730 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1781392139 ZTYWFDDPKSYEOS-IERDGZPVSA-N 466.560 0.871 30 20 JCED CC#C[C@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)C2)c1ccc(O)cc1 1782258631 YBPSMVVLMVRZAU-NYUJMHJJSA-N 499.564 0.946 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)cc1 1782669901 DNMNDWNMMXWCRP-QHCPKHFHSA-N 451.483 0.895 30 20 JCED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1784453624 CSSMTNTUSZOPIC-ZVZYQTTQSA-N 459.528 0.463 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1785380812 YVUISJBYRVMQBO-XMMPIXPASA-N 474.477 0.484 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1785577115 QCVMSUQZNAVQJN-KOSHJBKYSA-N 476.574 0.745 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1788571602 OWWIEZHROGLVGI-NZMUHZMNSA-N 474.558 0.546 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1788679751 LDHKCXHDWKWTRT-DFRCKQQJSA-N 450.499 0.964 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)N1CCN(C)CC1 1789800403 ZSOBKSQNPHEMTR-MLNNCEHLSA-N 460.619 0.301 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1789950552 QGHADCQHYXHUEO-ACRUOGEOSA-N 481.590 0.746 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(CC#N)cc4)[C@H]3C2)CC1 1790142871 QHUASRIPHHKFTN-VABKMULXSA-N 467.570 0.510 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790146732 WJNFBVRRHFZFQA-SNJCGAMXSA-N 478.553 0.816 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791258238 HBVLOLCDRFWADI-ZSGWMULLSA-N 491.676 0.946 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(I)cnn3C)C[C@@H]21 1791261668 VMRCSSJJBQGSQV-ZPFDUUQYSA-N 478.356 0.936 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1792126456 VJRKQKJLIBLLFE-TUFLPTIASA-N 492.617 0.557 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C(\C)NC(C)=O)C[C@@H]21 1792256581 HLIVJBRECJUWAM-KPKIYIRGSA-N 476.574 0.923 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)CC1 1793262835 RQFAZRNLCWTIGD-HATOLVCRSA-N 460.575 0.542 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1793362559 YHOXWQHSBSKRRU-YDGKCNFYSA-N 453.495 0.910 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCC)cn1 1794344365 REGNYEWHLUCGIC-AXVVYFOYSA-N 487.557 0.995 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cn1 1794442337 TWCKNOZVDKDGTP-JWWGGVBKSA-N 458.559 0.695 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795997607 SZLDJSQFFGVLJT-GNCOGERQSA-N 484.431 0.791 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1796300989 IEFOQIRDTDWHEO-JTJHWIPRSA-N 457.527 0.513 30 20 JCED COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798863478 RMJFDOSCIVXEAG-ACHVPNTGSA-N 489.569 0.848 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)ccc1-n1ccnn1 1799861160 PXPFXCPEGSIXLO-GUGIZKONSA-N 464.526 0.637 30 20 JCED CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778514 DXVFGOZNGWTKOC-MXJLVENISA-N 451.520 0.603 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800990815 ZUZZGYHLZMGKEM-UXXRCYHCSA-N 459.565 0.351 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)cc1 1807943629 GVGCSIJOUQTKFJ-XMSQKQJNSA-N 483.492 0.642 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810328536 ZXNCPXKLVXUKSY-KNKQGSTJSA-N 455.559 0.379 30 20 JCED O=C(CN(CCO)CCO)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1812714279 FZVSQUNGGZADNA-URXFXBBRSA-N 472.586 0.073 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC1(O)CCCCC1)CC2 1819468057 NDABXMVFITYIPN-UGSOOPFHSA-N 464.544 0.818 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1825755582 QXCNEMSOPLHFCL-BWFKNJDFSA-N 492.554 0.904 30 20 JCED CN1CCC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1828499804 NKWWTIZRISNSAO-AREMUKBSSA-N 496.564 0.868 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828595800 XMAPROIWQYYNOZ-OSPHWJPCSA-N 484.509 0.038 30 20 JCED CS(=O)(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828909697 KLAORLMHGRTYJH-XMMPIXPASA-N 487.578 0.897 30 20 JCED COC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)CC1 1829333665 CKTPGMODIMQDAL-DEOSSOPVSA-N 497.504 0.480 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)CCO2)C1 1829638337 YNRZPHAKUMJVDI-BVFVYWQFSA-N 499.564 0.543 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O)C3)C2)C1 1829671130 UDFLCUIZSIJVOQ-AXHZCLLHSA-N 479.574 0.637 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)c1cccnc1)CCO2 1830987024 ISVRDMRDPJVVIV-XXBNENTESA-N 458.515 0.737 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831221109 DNSVHLYCMMUMSK-AREMUKBSSA-N 483.565 0.961 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1832000098 GRVJWUQDJNDJDH-QRQCRPRQSA-N 479.534 0.655 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832751316 RDZTUFWOBVFWJZ-MRUHUIDDSA-N 467.613 0.871 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnsn2)CCO3)c(C#N)c1 1833534345 WTXMCJUDKJOKJI-OAQYLSRUSA-N 457.512 0.731 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)c1ccc(OC)cc1)CCO2 1834860057 JVYWHWODDOSQCK-ZOTQCUMXSA-N 499.564 0.973 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 1836195446 UKWWGMGMTWVAGN-WAYWQWQTSA-N 458.519 0.967 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(C)C 1837220886 FNHRSJGHMQVIJL-ZJSXRUAMSA-N 464.559 0.729 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837379451 DATMBUDMVJVWMU-OYHNWAKOSA-N 477.949 0.989 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1837530625 OGAUHXJKQZEKTP-XWVBEDFJSA-N 451.520 0.539 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1837533634 YAGRXUXTLVFBHT-XAKLVNHLSA-N 453.536 0.789 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1837562753 GHNSMXLLGQZJCU-OPSZGJHISA-N 481.509 0.837 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1837661355 HGAHDZUEZQCDKX-UWJYYQICSA-N 459.609 0.763 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1838357640 JIRTXVUWJGLTNW-ZWKOTPCHSA-N 455.552 0.623 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838436484 IMUVQJKQRJBSDO-HJPURHCSSA-N 456.499 0.387 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1838494349 XSMNWCMHBJLCAE-VRWDYKOXSA-N 480.525 0.400 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839082281 GNOPWMSSSMRAGE-VLITVDNRSA-N 472.542 0.556 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839204113 HXXCJOYBMXCQQJ-FDDCHVKYSA-N 491.545 0.232 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n1 1839225628 ORDWPVAZFRHXKY-VFNWGFHPSA-N 479.490 0.869 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1839421929 UHTLUPZUJIJETD-GHTZIAJQSA-N 465.503 0.345 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)CCO2)C1 1839737452 LZLWBUDMLTVIPQ-PZPWOCDFSA-N 484.475 0.638 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1)NC(=O)OC(C)(C)C 1839861997 PEBLKFDYUMTBNY-FDDCHVKYSA-N 482.578 0.438 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)C#Cc5ccccc5)C4)C3)(C1)C2 1840004507 ZWCLVWHBNVLSJO-STEQJIOHSA-N 452.507 0.838 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)(C1)C2 1840005842 XFDNGJZUVHWPGM-BKDUPHOISA-N 479.530 0.315 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC)C2)C1 1840108137 PSPAMLDLZMHEQS-PNCHPQGNSA-N 468.595 0.910 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219121 CDLAPYGMQQNXGB-VXKWHMMOSA-N 453.536 0.391 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1)c1ccc(O)cc1 1840220643 WPCQLULLXIIBSX-NLFFAJNJSA-N 485.537 0.798 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)CCO2 1840344596 LBVDQGIBMXOQKV-GIMINZRKSA-N 497.618 0.620 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840347427 CGKLTHIACWKHEA-QHCPKHFHSA-N 462.547 0.856 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1840820334 KREXBWFUGNECMO-PDSFRDGWSA-N 455.511 0.961 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1840945643 YKMUEFYJGLIHHO-NRFANRHFSA-N 468.526 0.952 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1841056416 DMNKJMAFNSXCNK-ZPUOCTKUSA-N 462.547 0.684 30 20 JCED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845582636 AQKUWJLKJMMBTR-UHFFFAOYSA-N 485.541 0.948 30 20 JCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2)NC(=O)OC(C)(C)C 1846934133 IERFOBCIQDCOEF-OAHLLOKOSA-N 463.535 0.601 30 20 JCED C#CCCC(=O)N1CCCC12CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1846998846 HJMULNGSAKCOPR-UHFFFAOYSA-N 453.503 0.743 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccc(C)c(F)c1 515925904 YFGBVLFVYVWQSR-UHFFFAOYSA-N 471.535 0.999 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C1=O 517820141 BHYCEJCRDOZGPS-HNNXBMFYSA-N 462.528 0.700 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C1CCN(C)CC1 518724260 OSFLTQYVBPZWJZ-UHFFFAOYSA-N 470.595 0.841 30 20 JCED Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccncc3)c2=O)c1 520106090 XBASAZAHLYCGIM-UHFFFAOYSA-N 493.564 0.693 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC)c2=O)c1 603994973 KXKAVPVYEBAELQ-UHFFFAOYSA-N 456.568 0.280 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(=O)N(C)C 604472828 AIOVCUKEKMSJDC-UHFFFAOYSA-N 480.949 0.446 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCS(C)(=O)=O 729673168 GGARBNSCSMECJJ-UHFFFAOYSA-N 453.611 0.744 30 20 JCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccc(C(=O)NO)cc2)c1 746267919 AEQWMEZKLXRLFD-UHFFFAOYSA-N 462.528 0.823 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)cc1 858005498 OANJFAZEQVHMBS-WBVHZDCISA-N 450.513 0.945 30 20 JCED Cn1c(=O)c2ccccc2n2c(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nnc12 917937415 HKAJHNNUKAWERO-UHFFFAOYSA-N 452.452 0.475 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 918422995 FOMAWHQEYAEECW-SAZKUCFMSA-N 499.615 0.226 30 20 JCED CCOC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314052687 KKGRBFVSXFMPJQ-ZWKOTPCHSA-N 481.623 0.603 30 20 JCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)C2=O)cc1 1626695111 PFVWPHAFHCUZOW-HXUWFJFHSA-N 454.508 0.784 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1628324682 OAEAFOJAWYXYCR-MRXNPFEDSA-N 455.540 0.668 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 1706050670 YZVQWPGPVLTGML-QUCCMNQESA-N 487.586 0.440 30 20 JCED CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1712695451 UWMYFYOPCMBVDQ-UHFFFAOYSA-N 488.570 0.601 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1729370241 ZEGWTQZUBARCSP-SJORKVTESA-N 479.584 0.787 30 20 JCED CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc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c1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)C=CC3=O)C2)cc1 1782311912 SEADWJUWAQHOBY-CJFMBICVSA-N 464.522 0.930 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4ccc(Br)cc4c3=O)C2)C1 1782606596 WXABTSIKUKHUOK-OAQYLSRUSA-N 488.294 0.822 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCO)C2 1783268117 AEBUXMBQLLHVDR-PMAPCBKXSA-N 467.563 0.426 30 20 JCED CSCC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783562743 QRHSRZDXAQYIBH-ZHRRBRCNSA-N 483.587 0.941 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NC(C)=O)[C@H]2C1 1784530338 QEHLXEHVHVQNPT-VJANTYMQSA-N 478.590 0.797 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)c1 1785078476 FSDNIEDZQLCMEK-NPMXOYFQSA-N 461.482 0.802 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2 1785573312 ZJZBBFJNOUHLDF-DGGJZMOXSA-N 464.563 0.648 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CC)NC(N)=O)CCO2)C1 1785595965 GZHPOFUVRZFHOH-JFOHNERASA-N 479.578 0.733 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@H]4NC(=O)NC4=O)C[C@@H]32)c(O)n1 1785772946 WRQJKYJMOHCRNE-RUGDWHBFSA-N 471.514 0.097 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSC(=N)N)[C@H]2C1 1786778945 BEOWHHMMXJCWSL-JONQDZQNSA-N 467.592 0.509 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)c1 1786977579 FMPNOFCKGRPYHL-RNVRALISSA-N 475.509 0.952 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nc(CO)[nH]c4c3)[C@H]2C1 1787871675 KFZVFVFTURFZGC-ZWOKBUDYSA-N 468.558 0.930 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)[C@H]2C1 1788080454 BWJQRVDVAOZBJX-QCQGSNGOSA-N 456.528 0.482 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1788630157 OSVIUAIWEQXXIQ-VKRLORBYSA-N 498.580 0.671 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1789904364 MBTCKSDKRGBITA-XSLAGTTESA-N 466.579 0.914 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789935134 DGWAJXFOBDQNIK-JAYGYPRLSA-N 494.589 0.100 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1792146942 AAFSVEDMTUDWKM-BQFCYCMXSA-N 464.482 0.119 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1792258417 CSYVKVUMKIYXNE-BCYZHJNNSA-N 476.574 0.409 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1792449644 MHYHDDGIMDPPNU-BOQPXBONSA-N 479.574 0.232 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1793354291 QOYBXDYEEOLYAK-CVFMPKEZSA-N 469.538 0.782 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1793600000 OTHAQXJNOWIVBI-KCYAQADSSA-N 450.536 0.182 30 20 JCED Cc1nn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)nc2s1 1793663202 RXCRLRGQDNJIOI-MQIWHYJMSA-N 476.559 0.760 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@](C)(O)CC(=O)O)C3)c(O)n1 1794490347 DZJGELOPWSLQSK-FVCJEJCPSA-N 461.515 0.725 30 20 JCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1)C2 1795081564 JHZMFBAAGJZFAT-BFUACXKISA-N 470.526 0.652 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795602546 REUFQHNLUWHDBJ-ZMMAXQRCSA-N 491.589 0.784 30 20 JCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)cc1 1795931128 YNGLJWUYCMFMNI-UPHUGPLXSA-N 483.550 0.546 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNCP(=O)(O)O 1795962568 AEOXSVAYMGDCNB-QKPAOTATSA-N 474.495 0.819 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994578 NWKANJHGIDPERJ-KOFHJDLBSA-N 465.432 0.866 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1796336686 QMSUXMOAXAOPSL-QVXMBZQBSA-N 493.605 0.684 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCN(C)CC2)c(O)n1 1797235169 NJRNANXWGWTSOS-OPMZPASUSA-N 457.575 0.356 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 1797706486 AZWPEPUHZOYUEJ-FCGDIQPGSA-N 495.617 0.911 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)Nc2cccnc2)c(C#N)c1 1797888881 DLJLPSPLLVKGTR-OPMZPASUSA-N 463.494 0.733 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C(F)(F)F 1799196161 HISQQIFUCBJKRX-QRJUGERDSA-N 477.480 0.922 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884725 QLTFWHJNXBXISW-ACNBBOPNSA-N 484.513 0.481 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccs1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773314 KFPWLBIUHOSKOY-DOHHPOSVSA-N 491.566 0.862 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CSC)NC(=O)OC(C)(C)C 1801945529 LRXJCGDIXMJPNR-UGWWGFDHSA-N 496.630 0.691 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cn3[nH]cnc(=O)c3c2C)[C@@H]1c1cccnc1 1802488162 SDKQYKXRAUZCBU-NBBDWSPISA-N 489.536 0.904 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810328185 VZJDWNNNJNYQKG-DXIQSLLYSA-N 455.559 0.379 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1 1812875057 QPXRXOAXMTZWRD-QRWLVFNGSA-N 456.480 0.288 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815672215 DHMWYEVLKRASLG-RDJZCZTQSA-N 468.580 0.933 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1819424163 KJNNEWHDKDQSEU-INIZCTEOSA-N 456.503 0.652 30 20 JCED C[C@H](C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1)n1cnnn1 1828922575 LWHPEQWQCXVFTN-KOSHJBKYSA-N 492.540 0.990 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1829266602 ARBPRSLDLGQBMS-XMMPIXPASA-N 468.510 0.914 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C(O)O)C3)C2)CCC1 1829451149 DWEOSWKMTZICGP-HSZRJFAPSA-N 456.499 0.443 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1829766434 YRKQMRUIRAZMSS-RRFNBQSRSA-N 495.536 0.094 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456545 LQRDPROGVILXCY-JPYJTQIMSA-N 477.583 0.628 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2)C1 1831319155 NMFDPOGFLVOEEZ-UTKZUKDTSA-N 459.609 0.763 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1831402477 IGYQQPRCDJDXQH-IQGLISFBSA-N 481.505 0.224 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)CCO2 1832005735 QXHRPMCHMXJDFE-BJHDWPLJSA-N 477.558 0.281 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1 1832026822 LBJWDPPVYSLGBS-BVZFJXPGSA-N 480.521 0.699 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1833075317 JUVCACNNPUUYAA-KKHYBRAUSA-N 474.650 0.052 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1nc(C)sc1C)CCO2 1833146435 NYQQBXBGXCZAKV-QJKPHDSHSA-N 462.572 0.617 30 20 JCED C[C@H](CNC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833315671 DVPZWHXIUQWDAC-MRXNPFEDSA-N 464.563 0.807 30 20 JCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833833425 MYBVUYIOERRATM-KBPBESRZSA-N 463.604 0.883 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1834099856 IQNLZQGDSPMTIE-AOMKIAJQSA-N 463.535 0.949 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767136 MIYQIUWSGUZZHB-CVDCTZTESA-N 488.545 0.614 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834850519 CNGMIOUOOXDWLV-SBUREZEXSA-N 483.562 0.865 30 20 JCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835111390 DYPVQRZBIVDRAR-YJBOKZPZSA-N 491.662 0.642 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CS(=O)(=O)c3ccc(C)cc3)CCO2)C1 1835183735 DGOODOHAJSDNDI-XXBNENTESA-N 478.567 0.263 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835298445 FWEUJMMCEBIUHH-RDGATRHJSA-N 456.539 0.875 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836027462 LHTQYMZGVSBOFQ-UZUQRXQVSA-N 491.545 0.294 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(-n4ccnc4)ccn3)CC2)CC1 1836186031 OUKFJCADPKVHTE-UHFFFAOYSA-N 450.499 0.541 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836780175 CMEFWAOSIUOLLR-UUOWRZLLSA-N 471.558 0.855 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837196607 SEHCZEBHUWXAME-XMMPIXPASA-N 467.526 0.727 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)cc1C#N 1837279172 SGUPEODDPXYWKM-DEOSSOPVSA-N 497.556 0.749 30 20 JCED CC(C)c1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)no1 1837440850 BBEDEVXNVOHCMU-IGPUNGKJSA-N 462.551 0.664 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837466702 LSINYXXSDRENNP-NRFANRHFSA-N 479.990 0.766 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1)c1ccccc1 1837611494 IWODXIOKTYXNAK-CJFMBICVSA-N 482.537 0.192 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1837669469 WYGAFWMOTXHPPX-QHCPKHFHSA-N 462.547 0.706 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837755708 AJBAYAIUPAFBHG-LAUBAEHRSA-N 452.577 0.949 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncon1)CCO2)NC(=O)OC(C)(C)C 1838324959 ULTOEMUBMPVQHX-KSFYIVLOSA-N 479.534 0.999 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838578079 DMGUNWSNGAMYHR-NFBKMPQASA-N 458.515 0.552 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c1 1838583417 BFOTWKWPFJEPBM-QFIPXVFZSA-N 454.487 0.319 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)CCO3)C2)CCC1 1838604914 JKYLPVADJDLVPL-QHCPKHFHSA-N 482.497 0.442 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733048 LVHQCZZINFOQGV-NYHFZMIOSA-N 461.519 0.870 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132419 GKWXXBOTUFZTPX-BXKMTCNYSA-N 470.526 0.256 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4c(O)cc(O)cc4O)C3)C2)c(C#N)c1 1839133075 ZJIGOXHXVAMGTA-RUZDIDTESA-N 497.504 0.996 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839138816 PJTWXRXUHMSASQ-HSZRJFAPSA-N 465.547 0.398 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1839174299 RHHSVRNJWILFOZ-QFIPXVFZSA-N 465.478 0.809 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1839185011 KOEYFMIPWOPIEG-SBUREZEXSA-N 492.577 0.745 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839204605 FILCTMOALDQPCQ-IERDGZPVSA-N 454.524 0.022 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)cc1 1839361514 PIVVIUUYVLJTBF-DEOSSOPVSA-N 463.494 0.630 30 20 JCED COc1cc(F)c(Br)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839419346 WNDBOIQLKUBEDJ-HXUWFJFHSA-N 499.289 0.755 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487375 FQRNNVKKGBNRJN-QHCPKHFHSA-N 477.481 0.617 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnc(N)s5)C4)C3)c2c1 1839487796 HGQFFOIXOUXZOS-OAQYLSRUSA-N 467.511 0.857 30 20 JCED Cn1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n1 1839488138 ZTESJBCYLZLJNC-HSZRJFAPSA-N 463.498 0.481 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839692494 ZZRKRTFYOSPFIF-KOSHJBKYSA-N 458.559 0.431 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840026467 KYNGPZMLUJYBCC-HYFFOGBASA-N 455.552 0.683 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1840059413 FQNDVCFROPPLHD-KGWSRGFLSA-N 473.592 0.131 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)C1 1840167050 SKKFOGNIIVRQBU-RUZDIDTESA-N 483.569 0.281 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1840233151 OPSHRDUCNPTBLL-GGUMNFRJSA-N 494.589 0.438 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1840715138 RQOBPDJDWKNICX-QMHKHESXSA-N 451.483 0.781 30 20 JCED CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)C1 1840819961 QKWNUSJLSLSBHV-RDPSFJRHSA-N 456.543 0.735 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840840073 WCBQRTJDFWWANJ-RIKPSNTJSA-N 479.530 0.390 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cc1 1840904298 DFVMMLWNWXOEMM-NGCBVDFASA-N 482.537 0.893 30 20 JCED O=C(C#CC1CC1)N1CC2(CCCN2C(=O)c2ncn3c2CNS(=O)(=O)c2ccccc2-3)C1 1844623359 JKLLVSFFZJPAFM-UHFFFAOYSA-N 465.535 0.895 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1CC(O)C1)C2 1846365580 DBVVOOQJHPWIAV-JCYILVPMSA-N 480.562 0.766 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2c(C(=O)OCC)ncn2C1 1847262149 OJWQYWOOPVMSLC-QJFPOAGESA-N 469.542 0.682 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 495323289 BXADKKQXVQXVNF-UHFFFAOYSA-N 473.467 0.947 30 20 JCED C=CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 512564795 MMNSUXZDJGXMLZ-SFHVURJKSA-N 483.612 0.501 30 20 JCED CN1CCC(n2c(=C(C#N)c3nnc4n3CCCCC4)sc(=Cc3ccnn3C)c2=O)CC1 516375650 HENAOCYORIITAW-UHFFFAOYSA-N 464.599 0.779 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 522530436 DHVWKXLLCUWFNC-UHFFFAOYSA-N 494.602 0.122 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 523088785 BQXWQECCKRCSCG-UHFFFAOYSA-N 459.524 0.760 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3sccc3C)n(CC(N)=O)c2=O)cc1 524281845 CQJQVNRRVGLYFR-UHFFFAOYSA-N 467.528 0.938 30 20 JCED CCc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccn3)c2=O)cc1 603791273 OPYAUTVMLGTHQT-UHFFFAOYSA-N 489.601 0.808 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)C1=O 726043015 OKHGJWBXHLLAJC-UHFFFAOYSA-N 480.359 0.745 30 20 JCED CCOCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726404538 ZFRNSBHRZYUPCR-BSBNDGSWSA-N 454.574 0.839 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CC1 728573680 WBWPKNGDCAVDPH-UHFFFAOYSA-N 477.521 0.973 30 20 JCED N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O 729672418 NDNGZEQCLYWCIO-UHFFFAOYSA-N 473.470 0.157 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(SC)c(OC)c2)c1=O 746484344 WVUNXSGHJWPYLG-CQSZACIVSA-N 477.608 0.941 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(Cc2cccs2)CC1 791259054 HWJWAJSBKJUJTM-UHFFFAOYSA-N 462.553 0.674 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2Cc3ccccc3O2)CC1 792134240 PSYRVJLXCQSPNR-LJQANCHMSA-N 455.492 0.938 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C1CCN(C)CC1 920398353 FCPPFGBKIYBPSE-UHFFFAOYSA-N 477.590 0.990 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286629074 JFGDJOJQWRPNLD-ZDUSSCGKSA-N 452.002 0.841 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1297957912 VDVROCZEBMMFFS-NRFANRHFSA-N 494.600 0.998 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1305314711 PNTFSCOUAXOAEP-JTWUUNPKSA-N 453.613 0.862 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1466973865 USGMKZNDOYYPQC-GOEBONIOSA-N 452.533 0.977 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C 1504911472 UXSHJDLWNQGLAD-JTSKRJEESA-N 474.587 0.523 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)C)CC1 1541003923 WQYBYWOHZQSRER-UHFFFAOYSA-N 452.563 0.942 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1541803550 JJHJPVXYUHMCTI-KURKYZTESA-N 465.624 0.861 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC[S@](C)=O)CC1 1628482635 XKTAMVQWMJZSDU-ADKRDUOOSA-N 454.618 0.807 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCN1S(C)(=O)=O 1698453794 PKVJPQYUOMIHMU-INIZCTEOSA-N 493.615 0.322 30 20 JCED CC(C)(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1706153288 JGLGVKOAEVWVAJ-NVXWUHKLSA-N 463.608 0.662 30 20 JCED Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c(N2CCOCC2)c1 1707493534 ZDOBBQAKGJKUJC-IEBWSBKVSA-N 489.602 0.810 30 20 JCED COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1=O 1730779411 PTAJPRMNQASEPY-HKUYNNGSSA-N 481.557 0.891 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1746511980 ZHZFUECCLFDCDZ-UHFFFAOYSA-N 486.602 0.110 30 20 JCED CC(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760859722 TZKRRLQHDYDIRK-UHFFFAOYSA-N 465.562 0.880 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1777987002 CIXUIWJEKSTUIY-XSAUMEDDSA-N 471.539 0.366 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1778784515 NZLRXMFOBDYTLE-YWFTZVROSA-N 451.501 0.381 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C)CCO2 1779288215 NKPZHXPWALVELQ-JSMQRPJFSA-N 476.574 0.976 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC3(O)CCCCC3)C2)no1 1779397403 JJCJFCWAFVIMGZ-HYBUGGRVSA-N 486.569 0.925 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3cc(C)ccn3c1=O)CCO2 1781269539 YVQFEUGZWJLXDN-DEOSSOPVSA-N 468.510 0.956 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)C1 1781293788 BUCVEAURZQXRDB-QQMNAOGKSA-N 498.577 0.740 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1781310976 ZTQBQFHVXYBEER-OHUGHZGNSA-N 484.553 0.966 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781355022 XHLMPVBBFMZBAL-KBMIEXCESA-N 493.601 0.791 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781424041 CJQINNLOFFYZTA-HYBUGGRVSA-N 482.541 0.979 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3nccnc3CN1C(=O)OC(C)(C)C)CCO2 1783053969 PQMIIBQFEHJBRQ-FDDCHVKYSA-N 455.515 0.602 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C1)CN(C(=O)OC(C)(C)C)C2 1783564709 CVCHWEOQUFRTON-QHCPKHFHSA-N 487.513 0.202 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783868903 LHCZSBLKNRPYOC-YGKZAACZSA-N 463.531 0.988 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4nc(C)sc4n3)[C@H]2C1 1784849073 FHQZVMOCDRFYFQ-GFXHUTCISA-N 472.571 0.480 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1)c1ccccc1 1785153454 XKJVZGAYGYZRMF-LUYSREMJSA-N 466.538 0.761 30 20 JCED NC(=O)c1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1785519959 MQNFTDZCZQXIJV-CFOBNFAJSA-N 459.503 0.303 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789764209 CWCWWAZACQOECJ-RMMWZPCPSA-N 459.591 0.649 30 20 JCED CC(C)(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)NC(=O)OC(C)(C)C 1791073144 MHFVAGKGANAAAV-JYJNAYRXSA-N 451.520 0.748 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CN(C)C3)[C@H]2C1 1791798139 YQXOPKGXTKPYSV-CGPDCMRHSA-N 462.591 0.997 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792138078 RNWOJECVSYXFNX-IEZWGBDMSA-N 460.556 0.913 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC 1793314077 CTEPVGKHCIGUAK-DFGXFYAUSA-N 473.592 0.480 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCCC1 1793807378 ZILRSPKMBXGRQM-WEMPKCCASA-N 490.601 0.895 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)nc1 1794427086 VPJOPSNFDQMFQV-SJSYYZABSA-N 480.543 0.217 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)C2 1794522697 BTZRBYTWTAQSED-GGXPGOJBSA-N 487.557 0.902 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)c3ccn(C)c13)C2 1799304231 ZVLIJCAJUSMJHJ-CCWDJLKJSA-N 456.499 0.992 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)C[C@H]2C1 1800778710 DDLRDNJYOSNBHA-BBPSPNIXSA-N 461.515 0.311 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802087768 QYMCKGKVLQRTOB-ADHGMGHFSA-N 497.589 0.606 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)n(C)n1)C2 1802124966 LLZINTYWFZUKQY-ZMMAXQRCSA-N 459.547 0.848 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Cn1cncn1)C2 1802125723 PQPVJARJSZBZJI-OYSTVDSJSA-N 474.562 0.420 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nnc1C)C2 1802139958 VBSZPRXATFZBMD-DJSSIZSOSA-N 460.535 0.786 30 20 JCED C=C1CC(C(=O)N2CCC3(CCCN(C(=O)Cn4cnc5c4c(=O)n(C)c(=O)n5C)C3)CC2)C1 1806897869 GRPFJUPRTPXFIL-UHFFFAOYSA-N 468.558 0.631 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810328403 IGMNCCSBRKBJSK-PMVMPFDFSA-N 470.570 0.437 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1812878882 NBQWOIYYXJLXMO-GAJHUEQPSA-N 459.462 0.968 30 20 JCED O=C(C[C@H]1NC(=O)NC1=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1815769956 XDHRSUAUJAHBPM-CVEARBPZSA-N 456.503 0.699 30 20 JCED N#Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(=O)n4[nH]nnc4n3)n[nH]2)cc1 1817812768 KLWPFXMDMYTEKL-KRWDZBQOSA-N 472.469 0.956 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829903941 GDOOIZUKJGDCGL-KOSHJBKYSA-N 464.526 0.848 30 20 JCED O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CN1 1829952478 OROYYVNYPFOIDR-RJTCWLHGSA-N 461.540 0.470 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456546 LQRDPROGVILXCY-MBSDFSHPSA-N 477.583 0.628 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830883246 DGPXXHAXPRIHHX-SBUREZEXSA-N 491.545 0.232 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])C2)C1 1831397210 PSBOWPJXGBFSNC-GAJHUEQPSA-N 474.514 0.769 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1831398745 KFINOBFBFMEYMG-JPYJTQIMSA-N 453.499 0.376 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831493798 VWVKLLANQAMDMX-SGXKBVARSA-N 489.635 0.673 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)NC(=O)OC(C)(C)C 1831579111 RJIYEDDPLMPSJA-DGGJZMOXSA-N 496.561 0.411 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831991197 ZXBFZVMBPXWKMW-ZZAWEDPDSA-N 452.552 0.646 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc[n+]([O-])c4)CCO3)C2)c(C(F)(F)F)n1 1833274077 XRJPSQUJAHYQFE-NRFANRHFSA-N 491.426 0.989 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)n(C)n2)CCO3)c(C#N)c1 1833409888 PEPOFHLOGLEDTK-HSZRJFAPSA-N 469.498 0.319 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1Cl 1833474673 MGXSLJHOOVWRFN-QFIPXVFZSA-N 472.885 0.994 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(O)nn4)CCO3)C2)c(O)n1 1833830562 FNMYHVQVXINMNG-QHCPKHFHSA-N 469.498 0.785 30 20 JCED CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835055947 DYZTZLAJRNASKK-RPPQRLJCSA-N 466.583 0.534 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835117475 LRFJMFVZAQZPLN-QQMNAOGKSA-N 480.562 0.191 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCCCC1)CCO2 1835134574 LJOFBKQXFDBFDR-NPPXVMCASA-N 466.579 0.848 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1835675282 LZPJGMRHKYHFKE-YKSBVNFPSA-N 472.542 0.565 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](N)c1cccnc1)CCO2 1835838327 PDAAMMXINSPIFR-PXDATVDWSA-N 479.537 0.879 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1837310117 MIKRYTLAIAMLPQ-URXFXBBRSA-N 460.619 0.991 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837375917 TYYHAQHIZUTTKG-KOSHJBKYSA-N 471.558 0.655 30 20 JCED C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443483 CCISZKOTVRNKSB-CBWPXHNPSA-N 458.563 0.810 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1837443957 UYYWLCPVNMQCLV-MHRHTVJOSA-N 462.576 0.957 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837529805 ZDINQWWOZIGKGW-DEHLXGDFSA-N 472.502 0.557 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)c1 1838583839 OSAVJCAJTPSGTD-NRFANRHFSA-N 463.512 0.455 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838808600 GVEIEUWKUHESLU-QFIPXVFZSA-N 456.455 0.188 30 20 JCED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)c(=O)[nH]c1C 1838906241 APRDLKQNEXCFNG-QHCPKHFHSA-N 451.483 0.642 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CCO2 1839280117 JBMYKVBNJADPQQ-IBGZPJMESA-N 456.373 0.743 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839371717 MCHHNZSURWNGIB-QFIPXVFZSA-N 450.488 0.856 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnc4ccccc43)CCO2)C1 1840101708 SRTAOIITYBPMBU-XMMPIXPASA-N 468.558 0.775 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1)C(C)(C)S 1840110871 IMCBXBQIIBWIHB-MFEFFIJZSA-N 498.646 0.573 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)C1 1840159247 ZMGYKDYISNDNKD-SZNDQCEHSA-N 483.974 0.840 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1840171470 HPVOVGJPKMGHGU-DEOSSOPVSA-N 455.511 0.634 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)O)C2)C1)NC(=O)OC(C)(C)C 1840795563 PBYQJNNEQOWVBN-HYFFOGBASA-N 455.552 0.683 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1 1840909323 QUNVZGKAWIPRQG-MBSDFSHPSA-N 475.546 0.705 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1845201592 UOMQVAICPGHYFC-INIZCTEOSA-N 460.531 0.974 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nnn2c1CN(C(=O)OC(C)(C)C)CC2 1847262671 ZZQOJFKDHSJFPO-YHLLGKTKSA-N 499.572 0.703 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 31295325 LIXPUBXMDXIXQX-UHFFFAOYSA-N 477.568 0.541 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1=O 504680136 ILPPSGJLGCXJAB-UHFFFAOYSA-N 489.337 0.803 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccsc3)c2=O)CC1 514341248 KNILYNSEVDOPMO-UHFFFAOYSA-N 487.651 0.189 30 20 JCED CCCCN(C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O)c1c(O)nc(=O)n(CC(C)C)c1N 514563497 WKOPYXMJBQOYCN-UHFFFAOYSA-N 459.507 0.235 30 20 JCED C=CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 516307362 GZKKMVJPEBPTKL-UHFFFAOYSA-N 473.555 0.853 30 20 JCED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1Cl 518129022 OUSBXSVCADUISZ-UHFFFAOYSA-N 465.875 0.375 30 20 JCED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)c1 524281173 KDKATCIQELAVGW-UHFFFAOYSA-N 490.541 0.925 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc4c3OCCO4)c(=O)n2C2CC2)CC1 603996910 LJGZIIYGYUJJDZ-UHFFFAOYSA-N 466.563 0.683 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cnn(C)c3)c2=O)cc1 839264989 CXBTTZKUAVQWQF-UHFFFAOYSA-N 467.551 0.687 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNS(=O)(=O)c3ccc(Cl)nc3)CC2)o1 915379400 RUMQKYFDSILJBL-UHFFFAOYSA-N 496.933 0.464 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)NCc1ccccc1 917177400 YTOYTOYNCVHBHD-UHFFFAOYSA-N 450.542 0.351 30 20 JCED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)CC1 917227395 PIYQWHQMGFIMTI-HSZRJFAPSA-N 454.531 0.384 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 918609615 YZLRUHCYZPEMNY-ULJHMMPZSA-N 470.511 0.697 30 20 JCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)CN1CCCS1(=O)=O)CCCC2 919362599 BDVFVVDBFRYAES-OAHLLOKOSA-N 464.544 0.935 30 20 JCED CC(=O)N1CCN(CCn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1301775187 OICYFQOGZKKKJE-NRFANRHFSA-N 453.547 0.792 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1617576489 WYYFGRPTURTQJF-NRFANRHFSA-N 494.600 0.950 30 20 JCED Cc1ccccc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1693267754 IHOPJVRGNQKIPS-RTBURBONSA-N 460.560 0.891 30 20 JCED CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1727261372 WYZBJRSJTHCHLG-DOTOQJQBSA-N 462.580 0.907 30 20 JCED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1741886050 MLXUYCGECNBHTL-HNNXBMFYSA-N 466.589 0.722 30 20 JCED C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1761414127 KSUYTMKSENVXAM-BRWVUGGUSA-N 455.585 0.070 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1768303621 YTBRXMINQDXHCT-OAHLLOKOSA-N 461.548 0.335 30 20 JCED O=C(COC(=O)C(F)(F)F)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1778891937 ZGVVJJISMRJFQM-GFCCVEGCSA-N 468.278 0.277 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ccccc4n(C)c3=O)CCO2)C1 1778971154 HSTZZITZKAUDHU-KOSHJBKYSA-N 454.527 0.950 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1779103168 NPTXFUFECVACOY-QDLBXXMRSA-N 475.527 0.729 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1)c1ccc(O)cc1 1779317266 HVMZDONUEBVYLQ-KJWPAHLWSA-N 471.554 0.870 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779422771 NYZAMUNNQDXRPQ-DAVGIZICSA-N 452.552 0.896 30 20 JCED CCOC(=O)c1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccn1 1780320228 XCVUZJWEMMUWGM-QHCPKHFHSA-N 457.531 0.984 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781172887 IFYQEQQNHVYTBL-QFIPXVFZSA-N 459.572 0.423 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781188386 SZWSPNVHQWTISH-WAIKUNEKSA-N 478.546 0.967 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2 1781797260 PZRPHTUMZBXDFX-VQIMIIECSA-N 463.547 0.442 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3n1CCN(C(=O)OC(C)(C)C)CC3)CCO2 1783051716 LIBYCAQIPHSFMI-HSZRJFAPSA-N 457.531 0.753 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783912353 HXDJFZOCCICCJI-KSFYIVLOSA-N 450.536 0.389 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1785872142 ZGWVMZLUFAJXOP-QAETUUGQSA-N 462.551 0.878 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)n1 1786858276 RKCVJXRHMCQGLK-LNLFQRSKSA-N 456.547 0.915 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]32)c(C(F)(F)F)n1 1787198906 JLQMKAOXMUIJAB-DDWPSWQVSA-N 482.463 0.158 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1 1787393244 DMTNSOWBVOCCCB-KFGODFMUSA-N 469.579 0.425 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(I)cnn3C)C[C@@H]21 1791261667 VMRCSSJJBQGSQV-BLFANLJRSA-N 478.356 0.936 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21)NC(=O)OC(C)(C)C 1792109935 AHKHBGXBZUQFBZ-RDGPPVDQSA-N 492.621 0.666 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN(C)C)C[C@@H]21 1792257752 LJFUFGNDVRWEEF-OKYOBFRVSA-N 450.580 0.834 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)OC)C[C@@H]21 1792262080 YKXKFXNTVIFIJW-FJIDUMEYSA-N 465.547 0.836 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1)[C@@H]1SC(=N)NC1=O 1792424813 VZMWYEKIPVAZLY-ZZPMGOEYSA-N 469.567 0.883 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)[C@H](O)C1 1792449472 BEADPFWOEYKPLP-TWHPPBISSA-N 461.559 0.607 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795586090 LFVSUCMZHBNXIZ-SFNKJDCFSA-N 482.578 0.328 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797815237 LKPZTEPMPFHYJC-WOMUVRCXSA-N 498.577 0.381 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(C)C1 1799120755 PATOMJRSDHWJTO-KNJMJIDISA-N 462.591 0.834 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2)n(C)c1=O 1799600280 PJTALNYTGFSVQF-BCDXTJNWSA-N 475.509 0.257 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)NC(=O)CS2 1800038027 YVOVVZPZBIMFCD-CXHZTBPHSA-N 460.556 0.902 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](COC)NC(C)=O)C3)N(C(=O)OC(C)(C)C)C1 1801102514 QTVXTVNJPQZIOZ-WPVAHCMFSA-N 494.589 0.293 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1801964861 PRSUPJYIYAGXJF-WERVVEIQSA-N 480.606 0.720 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN(C)C(C)=O)C2 1802138641 OTSJWSXORIBPHZ-DGPQGTHCSA-N 478.590 0.914 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)C1 1804851114 MXNZYKIOLFZGSI-ZPUOCTKUSA-N 454.593 0.404 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccnc1 1810632733 NTAHIKCLKNTNFK-SXZZRKSZSA-N 453.459 0.891 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812875132 RLOAKSRXFKGJFR-IIBYNOLFSA-N 470.507 0.429 30 20 JCED C[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1815799346 FATLCORFRVMVAE-WCQYABFASA-N 474.547 0.167 30 20 JCED N#CCc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)cc1 1816673579 DWYYSMGYYYBGNA-ZDUSSCGKSA-N 475.494 0.875 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)C1 1822203742 MSXHUZKWIZMNIF-QRQCRPRQSA-N 475.502 0.862 30 20 JCED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1822394938 RDOCJRRLMJXIRB-CQSZACIVSA-N 454.491 0.425 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCN2C(=O)OCc1ccccc1 1828627129 WKQIRJQHRQCDHH-XMMPIXPASA-N 496.524 0.294 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828629459 XYXDTNHSTOSBKK-DEOSSOPVSA-N 496.524 0.294 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)n3cncn3)C2)C1 1829266767 DMPPCLYFJWQQEI-FDDCHVKYSA-N 450.499 0.924 30 20 JCED Cc1nn(C)cc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829331131 ZQAKVRXQEKZXGV-VWLOTQADSA-N 493.520 0.882 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4C(=O)OC(C)(C)C)C3)C2)C1 1829666481 FSJGHPLYLOVPOH-JXQFQVJHSA-N 479.574 0.779 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O)CCO2 1829692028 QXLLSUIYYLYIFG-WVQWTBLQSA-N 493.601 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1829770320 JCFSOVICFHXCTE-ASYDGFSTSA-N 484.553 0.331 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1829770379 MIHHANCVGQTRAY-LJBSOROUSA-N 478.933 0.429 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829895623 CAQSKAYDNDOXSX-NRFANRHFSA-N 456.528 0.764 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1830352343 LQRFCSINVGDOCD-AOUJKTHWSA-N 484.553 0.316 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461379 FQTWMNLNSPNMIL-DVECYGJZSA-N 466.542 0.875 30 20 JCED CC1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1831104546 SBXMBKZXXRLMKG-RUZDIDTESA-N 461.603 0.873 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1831616272 TUBXROHOCAIKNU-NXMSCROESA-N 494.589 0.520 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832208234 JZPUSIUYZUOTNQ-HTAPYJJXSA-N 458.519 0.689 30 20 JCED COCCOCCOCCOCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833147915 ARAVNUYACPSRED-UHFFFAOYSA-N 482.622 0.804 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565313 FZDYRHALJNRKOK-KUHUBIRLSA-N 457.574 0.015 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncnn1C)CCO2)NC(=O)OC(C)(C)C 1833848061 VBFZYACBOWFOOP-HXOBKFHXSA-N 492.577 0.745 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCC(N3CCC(NC(=O)CCC#N)CC3)CC2)CC1 1834604112 DHUQWUNQMFGHKM-UHFFFAOYSA-N 453.609 0.533 30 20 JCED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1)C(=O)O 1834741674 BQNRCXIUOLXHFB-HXUWFJFHSA-N 459.522 0.945 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835358602 HAUJJYOZZLPYPU-HRAATJIYSA-N 454.524 0.022 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1835437488 GVBRAFNTDWYTGI-SBUREZEXSA-N 480.562 0.097 30 20 JCED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835511226 DTARWWXDKKFGSH-UHFFFAOYSA-N 465.664 0.641 30 20 JCED Cc1ccn2ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)c2c1 1835675200 WWWCNYAPXDLSRA-XMMPIXPASA-N 468.558 0.995 30 20 JCED Cn1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(C(F)F)n1 1835676939 GFRHMBPUKDTDPP-OAQYLSRUSA-N 468.505 0.710 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3CNc4ccccc4O3)C2)C1 1835677263 DFTMOJGAUKCPKE-DFBJGRDBSA-N 485.585 0.988 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835769236 OGQZTESBSALHSN-VSJIRZMASA-N 483.566 0.152 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1835778146 ZNAPDCGNWMCLMV-MFKUBSTISA-N 481.557 0.524 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835849853 LMNILOSQHCGTAF-IVZQSRNASA-N 479.534 0.655 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1837443949 NJZXDHIWBVMRHQ-JVMMHGLMSA-N 450.927 0.672 30 20 JCED CCN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1837533204 KZVXSENPMHDULH-XQDKNNEISA-N 466.579 0.704 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837743755 SIKUHHXZPAMWSQ-POSBYCEFSA-N 475.546 0.867 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCC(OC3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)no1 1837869454 SCHXVBYTGVNITD-UHFFFAOYSA-N 488.589 0.993 30 20 JCED COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1838514433 DVYZPZKIDITFRD-YWJMUIPNSA-N 464.519 0.760 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cc5ccc(C#N)cc5)C4)C3)CC2)CC1 1839106126 CDYRWYYYZQHZFM-RUZDIDTESA-N 481.597 0.337 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2)C(F)(F)F 1839109116 YIRRCZNTINIHRR-LJQANCHMSA-N 460.497 0.341 30 20 JCED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131959 KECLCPQBQMYFPQ-HSZRJFAPSA-N 459.499 0.519 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1839224674 NCKBTUWACDHHRR-HRAATJIYSA-N 450.492 0.267 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452533 GMPMKAQCERKZNC-SBUREZEXSA-N 457.531 0.644 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)ccc1-n1ccnn1)CCO2 1839477623 AEOBDAUXUMYPNI-CVUHLLMESA-N 494.552 0.504 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5c(O)cc(O)cc5O)C4)C3)c2c1 1839489414 ZTXQIVXPTQSOSC-DEOSSOPVSA-N 493.476 0.935 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839625983 MOIXYFLCUJFXEG-DEOSSOPVSA-N 494.483 0.889 30 20 JCED Cc1cccc(C)c1N1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1=O 1840040882 CIVFOEMRSITYBN-DFBJGRDBSA-N 483.521 0.201 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)cc3O)C2)C1 1840043834 WQEDTXLRFISVLI-IBGZPJMESA-N 467.272 0.313 30 20 JCED Cc1ccc(C(=O)C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1840098114 CVLBHSADZCUMHK-XMMPIXPASA-N 456.543 0.916 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C(=O)N(C)C)c1)CCO2 1840787694 NFWQQCSIYRQLON-KWQGRVAKSA-N 484.553 0.317 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840896981 FUSNRNRLOODCDE-HXUWFJFHSA-N 453.586 0.497 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(C)(C)O)C2)C1 1840909446 SRTVEDYARUUOLA-UZUQRXQVSA-N 467.563 0.520 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841894576 QVYFMIBMONNKNH-SFHVURJKSA-N 498.646 0.780 30 20 JCED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1)NC(=O)OC(C)(C)C 1846035229 ZUNXGCVWLFLAAI-SFHVURJKSA-N 468.595 0.336 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)(n2ccnc2)C1 1846196722 HPPBSVILYRXYBD-QHCPKHFHSA-N 471.514 0.511 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=O)C(F)(F)F)C2 1847071391 RVHCILJREXTJDV-CYBMUJFWSA-N 460.453 0.785 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccccc1 514644841 CACLLBNIKRRNLI-UHFFFAOYSA-N 478.549 0.990 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(-n4cncn4)c(F)c3)c2=O)cn1 523182058 SSMLKCXSMGVRSP-UHFFFAOYSA-N 490.524 0.617 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccs1 524336247 KMGKVFLLJAKNFB-AWEZNQCLSA-N 457.581 0.602 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 603448759 AGCKCCHKSNQXDL-UHFFFAOYSA-N 462.553 0.511 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(Br)cc2)c1=O 604269751 AHOFIDQQUGMJOM-UHFFFAOYSA-N 489.395 0.886 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 604269764 AUWRJWZDMNCQLH-UHFFFAOYSA-N 455.496 0.032 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 604270350 WRKSRCGUDAVIDC-UHFFFAOYSA-N 469.523 0.468 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O 608910993 BAGOOZRANPSUHH-UHFFFAOYSA-N 452.414 0.075 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(F)cc2F)c1=O 608912517 PXBWQVDJVKEZCP-UHFFFAOYSA-N 496.561 0.299 30 20 JCED C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 727010962 SPYGJMYMAGJGBM-ZIAGYGMSSA-N 458.496 0.745 30 20 JCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)Cn1ccc(O)nc1=O)CCCC2 728320375 JTWQPNSPSVKCEK-AWEZNQCLSA-N 455.471 0.862 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 729376182 DOEFWNGQTOURED-UHFFFAOYSA-N 455.540 0.625 30 20 JCED NC(=O)CCNC(=O)c1ccccc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 731189283 MLGFBPFERWZOSZ-UHFFFAOYSA-N 457.512 0.749 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 877869561 WDAMABXBHPBVHE-WBVHZDCISA-N 458.558 0.636 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C 918729732 IKJAEKJURWLQLU-UHFFFAOYSA-N 464.469 0.822 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 919225800 ATPRKWUWRLRJKP-CYBMUJFWSA-N 485.515 0.282 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2CCC(NC(N)=O)CC2)CC1 920601263 ZLTMQMNYJDXLGB-UHFFFAOYSA-N 477.543 0.161 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1302497032 SLXCTXAGZRMKHN-UHFFFAOYSA-N 458.548 0.360 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nccnc2C)CC1 1507869535 VTZFJAWFRLDXKT-INIZCTEOSA-N 482.998 0.789 30 20 JCED CC1(C)CCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1510305547 LLWOCUCWODQZMM-FTRWYGJKSA-N 468.580 0.281 30 20 JCED CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)c1=O 1515784410 BBMZBJKIWRBGBW-QAPCUYQASA-N 474.591 0.295 30 20 JCED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)N1CCOCC1 1516590091 NUBRXQBERJFHIZ-UHFFFAOYSA-N 454.535 0.657 30 20 JCED COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1619914348 JLIGYRJANGDXOK-UHFFFAOYSA-N 463.560 0.856 30 20 JCED CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1695499701 VZFYGVDVYOESFL-QAPCUYQASA-N 475.575 0.816 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 1779418134 ONCFNKPRVZKSSH-OBKVLKSSSA-N 450.536 0.556 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C2CCN(S(C)(=O)=O)CC2)CCO3)c1 1780174129 OLPDFGMNVVEJLM-HSZRJFAPSA-N 490.582 0.682 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C)cc3-n3nccn3)C2)C1 1780240682 WRKSQWFIKRDFOE-WNWNSBFKSA-N 464.526 0.878 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780804587 USHXZNRVPATIER-TWSMVNEUSA-N 469.535 0.796 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781358275 VIMKELRFYJCHFL-JUJDGOMYSA-N 475.542 0.844 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)c3cccn5c(O)nnc35)CCO4)c2c1 1782195968 NXWIFARKJSAGPE-HSZRJFAPSA-N 472.465 0.940 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729463 CLBBSAFYIQSVQY-DXPRYJPLSA-N 451.527 0.925 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)C3)C2)c1 1782812990 UOUCVLMRSBYJNK-HWBMXIPRSA-N 463.538 0.965 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1783315118 XYNWUQMPVXETOF-YGKZAACZSA-N 498.646 0.898 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CS(C)(=O)=O)nc3)[C@H]2C1 1787249040 YAMYBQPZLRVJJI-UHMOLFJZSA-N 463.556 0.258 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCC#N)C[C@@H]43)c2C1 1788251480 DFHLPTATERSHRC-BQFCYCMXSA-N 487.561 0.926 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1789891127 FUKWCIGUKXRWBD-FHWLQOOXSA-N 485.603 0.147 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(F)c(C#N)c4)[C@H]3C2)no1 1789906884 UMXACABKIDEVGH-MDKPJZGXSA-N 483.500 0.946 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1COc3ccccc3O1)C2 1792484755 NRLMCCZGLAZQAR-KOSTXOEESA-N 455.511 0.665 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(Cc1ccco1)C(=O)OCC)C2 1792491374 QPHUHFXZXAAQGL-NOOKGOPLSA-N 488.541 0.686 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1792795421 LZIGBZVTTRPXBC-HMBPXDFOSA-N 482.603 0.542 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)n2)C3)c(C(F)(F)F)n1 1795994334 BVLYCHAZZXSKNJ-KEODLESXSA-N 478.387 0.690 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)C[C@H]1CO2 1799156967 WKNXUXNXUOJLAT-TURABVPUSA-N 460.531 0.658 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOC)C2 1799232217 WDQVZPJIYQPUEJ-JTJHWIPRSA-N 481.590 0.936 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccnn1 1800264128 UZVVKVHXLIQMAV-AVEIZBFRSA-N 462.551 0.898 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1802481038 GWDIWWCBAXNVMU-PMRREWKHSA-N 454.575 0.193 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1803549822 GEYSAYXVRPIBNX-HYJFEMIMSA-N 460.531 0.969 30 20 JCED C=C(C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1)C(F)(F)F 1807025834 MKPHNFNDZYUITB-UKRRQHHQSA-N 450.354 0.931 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812873165 KGWJFYFCMHDEHZ-OPYAIIAOSA-N 486.525 0.811 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)Cc2cn3c(nc2=O)SCC3)[C@H]1c1cccnc1 1812877966 QZRYTCNMAIXGJR-YWZLYKJASA-N 467.507 0.081 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)c1 1816673580 JEWSMLRSKMOGFH-GFCCVEGCSA-N 491.493 0.689 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816673641 KCNFQLWOJFHLTC-RNCFNFMXSA-N 458.504 0.068 30 20 JCED C=CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 1826050738 RAVSHOSRXNJDPA-LLVKDONJSA-N 457.516 0.079 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240722 ZXDHILSRJUXBLD-GHMZBOCLSA-N 452.583 0.954 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1829461071 JMSLEMLVRYYXQD-CPJSRVTESA-N 483.569 0.445 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)cnc3O)CCO2)C1 1829559945 FOZKUBWHVNXHFO-NRFANRHFSA-N 465.938 0.792 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1829768724 GIAODNGZPWMGMA-CVUHLLMESA-N 482.537 0.424 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)cc1 1829902618 URRWWLYJSMMLEC-DHLKQENFSA-N 463.538 0.522 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2)c1ccc(O)cc1 1829958841 BRMALHJVSGZXID-SWYRRKHMSA-N 483.565 0.872 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1830037876 GKFCFYYNJUJBFF-GAJHUEQPSA-N 465.547 0.396 30 20 JCED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)cccc1=O 1830458798 ZJCIKWZYAMNJIN-RUZDIDTESA-N 464.522 0.960 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830886040 QMEIWCVYEQYORI-NTKDMRAZSA-N 481.590 0.912 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1C 1830952824 DGLATWSBFJVZSU-QBRPEMMGSA-N 463.535 0.256 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1831998423 FUVQKVIREBMHHZ-HXOBKFHXSA-N 467.563 0.949 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)cc1 1833304462 KOOZHVFXLAMNGW-VWLOTQADSA-N 477.521 0.755 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835094963 FURUMVFTPUZHSZ-GOSISDBHSA-N 480.562 0.186 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835817519 FZCSFGVVFTZGOV-GBXCKJPGSA-N 459.543 0.695 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)s1 1836080593 VTUOEECUXGUVEY-FLPAMXLZSA-N 467.548 0.374 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836449808 OFDKKSMKGUOMHJ-DEOSSOPVSA-N 467.526 0.727 30 20 JCED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)C(O)O)CC3)CC2)c(C(F)(F)F)n1 1836629548 UPVNTJLAVFOEPF-UHFFFAOYSA-N 456.421 0.895 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837173563 XLMJOMKNHHPGQN-XMMPIXPASA-N 476.493 0.750 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837382016 WGCFTBVRXZUFRW-HJPURHCSSA-N 475.521 0.404 30 20 JCED O=C1NCc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)ccc21 1837444278 VQNDOXOQMLVAFP-PODSUIKTSA-N 469.542 0.472 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)on1 1837525456 WSMZJIVHJDBFNP-HFSPCEDCSA-N 450.492 0.511 30 20 JCED Cc1onc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1C 1837526272 UAEQTWOTBBPGFM-MYRHLRDYSA-N 450.492 0.890 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1837529404 SWDQAGDEWKWQSS-XCUVTCGESA-N 471.514 0.933 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837697727 ZXKYQBXHHOWPIX-MMIJAHHVSA-N 461.540 0.634 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838418719 LPFZBBIGTKJNMF-JBMWNJKUSA-N 485.522 0.538 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1838568690 JPBITEXYDJZRBP-HHHXNRCGSA-N 492.528 0.957 30 20 JCED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)c(=O)[nH]c1C 1838950289 HNAKQCPVPKPZCD-QHCPKHFHSA-N 451.483 0.642 30 20 JCED COc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)ccc1[N+](=O)[O-] 1839137149 ZBJVBMPEHRULAI-JLTOFOAXSA-N 453.517 0.921 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1839174256 PFLGGDAYWNUCOH-NRFANRHFSA-N 452.483 0.447 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](OC(C)=O)C(C)C)C2)C1 1839175113 POGGROINYMPQKI-UGKGYDQZSA-N 454.520 0.540 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO3)C2)C1 1839209979 ZVLRJQSICFQSMY-WZONZLPQSA-N 467.563 0.685 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1839222863 CXHZAGQPPMIKGI-LNPFQXMTSA-N 491.545 0.250 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CN5CCCC5=O)C4)C3)c2c1 1839487892 KMINONFJWXZVGS-HSZRJFAPSA-N 466.498 0.127 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1839888370 JQVDDXSFVVWWPI-HXUWFJFHSA-N 487.525 0.908 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1)C(F)(F)F 1840082571 BXBPIWGYTDXBNL-HXUWFJFHSA-N 498.495 0.258 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840142971 FRDVVYTZSJISKJ-IXFSTUDKSA-N 456.499 0.712 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)C2)C1 1840171485 HZJFAZDXWPMTOE-PGRDOPGGSA-N 465.572 0.694 30 20 JCED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840201218 KFLZVCRBWQNDRZ-PGRDOPGGSA-N 463.556 0.507 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc(C)s3)CCO2)C1 1840400094 COKRNGOEOMEMBN-NRFANRHFSA-N 451.545 0.960 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880068 VFZMQXHMUPFNGN-SWLSKGBQSA-N 462.499 0.864 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC4(CCCN4C(=O)[C@H](C)S)C3)c2n1 1846370917 QWMYVOFNIQGFFV-LBPRGKRZSA-N 461.548 0.648 30 20 JCED CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c([N+](=O)[O-])c1 15171070 BKBDCEJDAUSCSN-UHFFFAOYSA-N 465.513 0.885 30 20 JCED C=CCn1c(SCC(=O)NC(N)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 21232062 LRTSEMQQMBVLRB-UHFFFAOYSA-N 466.545 0.439 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 106037767 XLYXJWMDDLZOSV-IYBDPMFKSA-N 489.602 0.649 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccco2)c1=O 590995764 YWUISNACWKLICN-UHFFFAOYSA-N 462.597 0.207 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O 623224133 UVJVMGKKJOCSMW-LBPRGKRZSA-N 478.303 0.998 30 20 JCED CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 727624490 WHKCAHMHWWWLGY-UHFFFAOYSA-N 472.527 0.859 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 729360964 YTAOXLIXPHHDTJ-AEFFLSMTSA-N 463.604 0.843 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(C(=O)NO)cc3)cc2)CC1 746268650 RIEFIYLPRODVRI-UHFFFAOYSA-N 460.512 0.588 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c(=O)n1CCOC 838254506 DAMIINNLAJEHMY-HNNXBMFYSA-N 487.578 0.544 30 20 JCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 915785120 LDECHGZRTOBBIP-UHFFFAOYSA-N 456.466 0.978 30 20 JCED CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1298734217 ZYTLUROZCARMLS-UHFFFAOYSA-N 453.547 0.834 30 20 JCED C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1303697514 YASXWAVXBARLDI-MJGOQNOKSA-N 489.602 0.645 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1516847865 RILYIEMJVWKVHO-LJQANCHMSA-N 473.603 0.915 30 20 JCED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1517477824 UBLWOJLEGFDHHU-DEOSSOPVSA-N 464.574 0.943 30 20 JCED CN(C)C(=O)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1552694252 WJEZNJGTFGLDAQ-QGZVFWFLSA-N 467.596 0.609 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1611663766 QBAZUDJDFGLILL-PBHICJAKSA-N 466.589 0.831 30 20 JCED COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1=O 1712473126 PRMZQWCJTOQNRH-KRWDZBQOSA-N 453.503 0.160 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc2c(c1)OCCO2 1741945330 SOJZMMKSKSWWBJ-GOEBONIOSA-N 462.532 0.631 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1765911566 CNEVODVNTAIPNW-XLIONFOSSA-N 452.581 0.541 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1=O 1771150666 YYFMRJFIVUJDTH-LJQANCHMSA-N 483.573 0.744 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(C#N)ccc2F)C3)CC1 1778912211 WJSRFSGGIGUTHX-RCZVLFRGSA-N 485.560 0.989 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1779428998 SKWRWMBOVWFMOI-BIMRZBSOSA-N 471.576 0.607 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060857 IQUVVGHBSLPIFP-YQNSVDCASA-N 453.503 0.005 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)cc(C(F)(F)F)c1 1782033775 HIKFMXUOGLLYDH-GOSISDBHSA-N 490.375 0.745 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(C(=O)O)ncn5)CCO4)C3)c2c1 1782192758 VHSGJBAQULKPLI-QFIPXVFZSA-N 461.438 0.680 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783164875 GCBWQQTUBPXNIU-NXMSCROESA-N 476.574 0.649 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccc(O)nn4)C[C@@H]32)cc1 1783604139 ASNSLABOVKQDQS-FHWLQOOXSA-N 451.483 0.655 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1785452953 ABQOKCGANSZGRQ-PXDATVDWSA-N 487.576 0.985 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c1 1785545312 OOTAUNPRYXMGCN-NRFANRHFSA-N 474.564 0.871 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1785571211 BNVUAEFEJUWYHX-VVBPWWLESA-N 450.536 0.244 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785584949 ANDZTEFPUYWWPI-WBAXXEDZSA-N 453.586 0.998 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785785860 QYHQPWWDEMKJMO-QIJZPMMNSA-N 499.612 0.574 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1788637194 MGIWRDLAZWKUOJ-ULQDDVLXSA-N 479.624 0.525 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)ccn3C)[C@H]2C1 1789227366 HAMATBIPXZDRDZ-WBKMXMRLSA-N 486.569 0.895 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1789904452 QLSPQGOWICXGAY-RABCQHRBSA-N 480.606 0.548 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccncc4=O)[C@H]3C2)ccc1F 1790583786 VPIYVLRZTGMCDV-QRFRQXIXSA-N 453.474 0.476 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)c(C#N)c1 1791395207 KOYMCQLILFEFMP-VDGAXYAQSA-N 466.494 0.014 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1792322774 GUUSJDQXYPFBSW-OWSLCNJRSA-N 467.538 0.963 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1792885556 CVZBNZAIUKSBIG-RCLSDMTESA-N 457.527 0.513 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C2 1793831350 ALOYWCBIVUNHPG-ZHCJQAHYSA-N 451.568 0.687 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1794249507 FAHYHWRFOLYNJN-LOUJCGABSA-N 462.576 0.026 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N 1795466434 YFASMVQZOYUYPB-TURABVPUSA-N 459.547 0.911 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)n1 1796618373 QLECFFBBPNJAST-OPMZPASUSA-N 472.542 0.631 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1797729928 PAGPXKLDGBQDLC-YHELAOLJSA-N 451.640 0.278 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1797815494 MWBNNVIZWRJCGF-VFQDWYHOSA-N 456.503 0.390 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1797836336 OZTYIZHLQQVZGB-INOOVHSBSA-N 467.526 0.834 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Br)cnc1Cl)C2 1800777422 SLPPETHCQQYQHU-KEODLESXSA-N 456.680 0.789 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C 1801244747 ITMGNVJPDPTNBC-WQDJSCAQSA-N 459.547 0.849 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988843 QICQZDVMMRGMNY-YVSFHVDLSA-N 478.546 0.474 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CC(C(=O)OC)(C1)C3)C2 1802127461 GVKXZFARWCFLHC-RKPDWAHQSA-N 489.569 0.836 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1802127614 JVASCZRBRHUIDA-QOIOWGMHSA-N 489.529 0.067 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)c(C(F)(F)F)n1 1807830509 IBJHBKYIACVXSB-JQFCIGGWSA-N 461.448 0.973 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1 1811534889 UIJXTSLHJVTCNJ-DKSSEZFCSA-N 458.544 0.929 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813172399 KVYMLAVSJSLWBM-UWJYYQICSA-N 452.515 0.294 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)n[nH]1 1817682369 AIMYJILVIMAOIR-WLMCBFPDSA-N 487.542 0.726 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=N/N4CCCCC4)sc3C2)CC1 1819777231 TVRBNQAIXSOZGY-QIWJOQEQSA-N 475.619 0.691 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](COC(C)=O)OC(C)=O)sc2C1 1819852434 YJJNDRVSZXLJCA-BDSCBQIZSA-N 478.527 0.408 30 20 JCED O=C(CN1C(=O)CNC1=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828945072 MNMPGHOEFNUMHU-IBGZPJMESA-N 458.559 0.857 30 20 JCED NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1828963625 FXHJVLFUOACQDC-VLNKIQQBSA-N 487.557 0.926 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCN2C(=O)OCc1ccccc1 1828969369 AVYYKENMHIETFR-HFZDXXHNSA-N 497.596 0.835 30 20 JCED C[C@H](CN)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332502 OJQXYYNJMAZZED-HXOBKFHXSA-N 456.499 0.121 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1829854414 LDCMBGGUMQVQQN-OLSDNLPYSA-N 463.556 0.858 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)[C@H](O)C1 1830049431 DWSKMCFWDFVBCF-RHGYRFJNSA-N 494.589 0.610 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1830297297 XPPOFTLNFIBIFS-GSHUGGBRSA-N 453.536 0.394 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1830716052 SIKFVDHHLQPDBA-AGKSWIAYSA-N 464.563 0.504 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)Nc1ccc(Br)cn1)CCO2 1833027436 MBHRTHCBWNQKMA-HXUWFJFHSA-N 494.346 0.933 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833272155 UULQERVWJGKTLZ-PXNSSMCTSA-N 480.606 0.482 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)cc1 1833827679 HMHJBIGARLVFKL-HSZRJFAPSA-N 451.483 0.757 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cocn3)CCO2)C1 1834513068 IXHBMMMPYYZFEJ-OPAMFIHVSA-N 462.503 0.661 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N(C)C(C)=O)CC2)CC1 1835124024 ILERTFXZIVZHBI-KRWDZBQOSA-N 450.580 0.934 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOC)CCO2)C1 1835240393 QWYOALJDSXYUCV-MQNAVGNWSA-N 467.563 0.949 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)[C@@H]2C1 1835346525 FQRFUGONVZBDFN-NDBKNAECSA-N 474.558 0.859 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)[C@H]2OCC[C@H]21 1835361985 ASZASIPBCZZIPT-UOUMEPNKSA-N 492.573 0.771 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835644198 JTRAZHWIQYDDPY-JJLXJTODSA-N 483.566 0.152 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835780069 LHTLPAWTHFQJLW-FDCKDHBTSA-N 490.557 0.765 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(C#N)cc3)CC2)CC1 1836287487 YTDWHUIZXGXZEG-NRFANRHFSA-N 457.531 0.808 30 20 JCED CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320885 VTFFVXJXMVIPHY-DNVCBOLYSA-N 456.421 0.813 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836394882 YWJKMCYJVIHSSK-ASPARNDVSA-N 472.502 0.328 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)cc1 1837318832 CKAQTJBTWNRZTE-FQEVSTJZSA-N 469.416 0.928 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443486 CCISZKOTVRNKSB-OKEGVBJISA-N 458.563 0.810 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1837529828 ZNQOUQPZXMSEAM-NWCXIPMVSA-N 481.424 0.077 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837674836 OBBSIDNWLSNJAE-CYFREDJKSA-N 463.575 0.446 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838377995 WKIAEISCJZTZAP-SBUREZEXSA-N 489.529 0.169 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838507513 YIWFCLWEQLONCL-VKUXZERMSA-N 472.527 0.015 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2)C(F)(F)F 1839084475 DOLPMHWTCNAXQG-YRNRMSPPSA-N 459.465 0.962 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839106819 COIGBNRDFIHIDV-URXFXBBRSA-N 460.619 0.991 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(OC)nn4)C3)C2)c(C#N)c1 1839132811 RQDDVOGAKMHNCD-DEOSSOPVSA-N 481.509 0.678 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839174877 BKXGMTGTAVFSBJ-PTJKWTKHSA-N 467.519 0.481 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186073 YRHCNQLBBYTEPN-OFNKIYASSA-N 460.506 0.611 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1839190884 IXJKPDGRXHLKBH-NRYAXDJKSA-N 475.542 0.695 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839389542 VQNWPOKXSLMBJV-HAKLDRHFSA-N 487.557 0.495 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)c1 1839421852 OMNWBWMAIDRUKH-QHCPKHFHSA-N 469.473 0.896 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488958 KGDDTKXVKYARDZ-YKSBVNFPSA-N 482.541 0.809 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839665831 AJDLFNRQRKHPRO-ZJBJCVSYSA-N 464.588 0.611 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840017546 RROXYIPUARJGOY-XCUDUSTGSA-N 483.565 0.926 30 20 JCED Cc1ncc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)s1 1840399612 DQYWTYLUNGSWTG-QUWKVSOCSA-N 466.560 0.979 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)Cc5ccccc5C4=O)C3)C2)CCC1 1840812540 WNKWCTBUYZRATL-SANMLTNESA-N 494.548 0.752 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC(c5ccccc5)=NN4)C3)C2)CCC1 1840815285 HLAJJGTVGYSNRQ-RDPSFJRHSA-N 451.527 0.903 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815726 GIQJDGFMXCESJY-YTZAWJCFSA-N 492.573 0.507 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1840818468 DRONHGNWTFBASB-QHCPKHFHSA-N 453.451 0.869 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1840843925 UOJJKZMXUYBQIT-JOCHJYFZSA-N 459.455 0.865 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1841747403 PYSMBIWNIINTLB-AEFFLSMTSA-N 452.552 0.310 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O)C(C)(C)S 1848131405 XHDVLEMSEKBZNA-UKTARXLSSA-N 483.591 0.388 30 20 JCED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1C(=O)NC2(CCCC2)C1=O 514456020 WNUMMHVJEUCIKP-HNNXBMFYSA-N 459.528 0.644 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 515924854 SPQONIJWCZUHSE-UHFFFAOYSA-N 461.565 0.085 30 20 JCED COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 516404778 XHGRMMVKEPXWBM-UHFFFAOYSA-N 499.549 0.740 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577063 HLDRDJDELKZLLI-CQSZACIVSA-N 485.591 0.457 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3cccc(F)c3)cc2)c(=O)n1CC(N)=O 727160864 LGVHMFNBDOHGRY-UHFFFAOYSA-N 492.532 0.918 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccccc2)c(=O)n1CC(N)=O 727161070 OCFUYTDKSOBKOB-UHFFFAOYSA-N 476.558 0.718 30 20 JCED Cc1[nH]c2ccnn2c(=O)c1CC(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 729186761 ONFKZLLERMTORC-SFHVURJKSA-N 463.454 0.839 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN(C)S(=O)(=O)N(C)C 731143492 PTNJXIKFVFFBDB-OAHLLOKOSA-N 460.578 0.565 30 20 JCED Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 753616492 LEUDYKIMEIQCRK-UHFFFAOYSA-N 473.511 0.168 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2CCCSC)CC1 839369764 OENUBDIRDYNSBH-UHFFFAOYSA-N 488.683 0.680 30 20 JCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)cc1 844200946 IQWPQBSVZIRJGY-UHFFFAOYSA-N 459.484 0.845 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1CCOC 916198307 LHTAEAMYOJKMTJ-UHFFFAOYSA-N 466.903 0.383 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1OC 916925164 YTIFXLFNVWFDRI-MRXNPFEDSA-N 491.522 0.999 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(Cl)ccc2OC)c1=O 917770431 MWCWQBKNDPCEEE-ZDUSSCGKSA-N 465.959 0.872 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 918299905 OKVMYLJXTKVNBO-NKFKGCMQSA-N 461.544 0.519 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1 918817335 OFGMZPNLPTWIIQ-UHFFFAOYSA-N 470.507 0.588 30 20 JCED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 919816471 DVELYFRDGZEDEP-PKOBYXMFSA-N 469.585 0.623 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1(=O)=O 1301969493 XVYFLIVTTVZXNC-OWCLPIDISA-N 474.609 0.174 30 20 JCED C[C@H](CC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1446912477 YPAZMSNYWRJLDT-PJIJBLCYSA-N 455.558 0.356 30 20 JCED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1503371916 OMILWCLEAYQMNP-GOSISDBHSA-N 457.560 0.909 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1Cl 1510224024 SCHNEJAXDGBXMW-OLZOCXBDSA-N 455.928 0.744 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1541991174 VEBKVDPYGWKXDW-IERDGZPVSA-N 481.623 0.903 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1=O 1712469407 NOJHTSJFHHTZHO-FQEVSTJZSA-N 494.600 0.522 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@](C)(O)C(C)C)CC2)c1C#N 1742669159 JTZIEUIEYNVZPA-JTSKRJEESA-N 455.567 0.876 30 20 JCED Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)s1 1751582274 ZXRLETSZGPEGFI-CABCVRRESA-N 452.562 0.859 30 20 JCED Cn1nc2c(cc1=O)CN(c1nnc(COc3ccc(C#N)cc3)n1CC(=O)NCC(F)F)CC2 1769079883 MTWZNSSGJJZWIZ-UHFFFAOYSA-N 484.467 0.766 30 20 JCED N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCN2CCCS2(=O)=O)cc1 1771533059 XNXRHZYWVXEUSU-KRWDZBQOSA-N 457.560 0.944 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778218886 RAZQJEWYKDQDJL-MCFFVMPBSA-N 467.494 0.499 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CCO2)C1 1778974319 YFCJZTKICOCDIS-XDHUDOTRSA-N 480.525 0.587 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)c(C(F)(F)F)n1 1779089343 IVNGELRTCLOQGY-UYAOXDASSA-N 483.447 0.066 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)nc1 1779134919 QTWUEMZJISEBHG-IQTGRTGDSA-N 460.512 0.641 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139077 KUUCKIBARLURIC-WIFRZSDBSA-N 450.492 0.372 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3ccc(C#N)cc3)C2)CC1 1780410170 JKYBQKDUCSSQPL-RCZVLFRGSA-N 467.570 0.850 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1780803489 GNYJLYATANEEMO-ZDWFVDTJSA-N 474.562 0.945 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781173769 WWXZOXFUZJAKOX-MWTRTKDXSA-N 457.531 0.647 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782196737 GCQQURFLFGFMJO-AVRDEDQJSA-N 454.487 0.029 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)ON=C(C)C)C2 1782468689 CUXUGSLHIMWSHZ-FDSZKQNJSA-N 476.578 0.772 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783131865 IYECLDSZOQUNMD-GEQKSPFYSA-N 457.531 0.898 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1783268566 LOKARLRNKBKZMB-MNFWLRKXSA-N 476.574 0.696 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC4(CC3)OCCO4)C[C@@H]21 1783530529 BBDHDSGTEGJIFF-IQUHNSSXSA-N 461.559 0.758 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3c[nH]nc3cc1Br)CCO2 1783567113 QAKAZTHTVBZKFW-IBGZPJMESA-N 461.272 0.857 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CCO2)C1 1783901088 ULXBHDNOOSXITJ-KKSFZXQISA-N 483.612 0.469 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1783921758 SBRNFYDQEYVCGO-KKSFZXQISA-N 473.592 0.720 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@H](C)NC(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784087899 CPZXBQKMDDZYTD-TXBYWVTISA-N 464.563 0.907 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C[C@@H]21 1784481078 FJIAYHSYZHDNAE-LGYWMIHWSA-N 465.506 0.748 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785224012 XLAZKNFGKJFGER-OSPHWJPCSA-N 451.479 0.598 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCO2)NC(=O)OC(C)(C)C 1785305278 YJMCCWCZGGDWHS-HRAATJIYSA-N 463.539 0.363 30 20 JCED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1790571521 KYPKKQTXTRTARR-IEZWGBDMSA-N 461.563 0.704 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)O[C@H]2C1 1791036595 XXANTRFIJILHLS-WXJALIKYSA-N 491.541 0.079 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1792255629 RQXCTWPKXKNFCN-SPOLIRPYSA-N 476.574 0.409 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)C1 1792343539 BXLYAOKHYAZYPS-XLAORIBOSA-N 462.547 0.906 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)C3)cc1 1792558567 APZRTDVUFFDRPH-QSNWEANLSA-N 477.521 0.697 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1794249509 FAHYHWRFOLYNJN-UMPJEAMMSA-N 462.576 0.026 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc(C)c(O)nc2=O)C3)c(O)n1 1794490303 CBASHGHQTHTWDU-CWPLJXCYSA-N 483.525 0.380 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1797837730 KMCVQGXQOLDJCK-VEWOCKFBSA-N 450.451 0.737 30 20 JCED NC(=O)c1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1798355549 OKSOAHFLMUYZQC-HNDWSZEFSA-N 455.496 0.279 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(N)=O)C2 1799231898 AKAVUIJFXZUNIX-PJVZLEMVSA-N 493.605 0.720 30 20 JCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)c1 1800281193 VNZPDTMTBRUMCZ-BBIADKPPSA-N 479.493 0.851 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)=NO2)C1 1800694651 QCHQXLFBNRPFTD-WHZNHKCRSA-N 461.519 0.646 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1800823182 AXMCIDJCLSDKOC-YGPNDZQQSA-N 462.547 0.762 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCSC 1801032476 WALNYDJMXGATQH-ADHGMGHFSA-N 469.604 0.607 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)O2)C3)N(C(=O)OC(C)(C)C)C1 1801101901 JPTAIEMZICPQTQ-QEOTZNIISA-N 464.519 0.250 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1801466382 GKKNJDWAKLNOHU-YYIAUSFCSA-N 478.546 0.474 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807945826 IMSNICSIVVEUDJ-SYYRGCCSSA-N 475.469 0.239 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808197413 FUKVQIGDKQAVBF-GJYPPUQNSA-N 460.487 0.061 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)[C@H]1c1cccnc1 1809491861 KHYOHACLFDBOKT-DUXKGJEZSA-N 476.599 0.797 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810292076 NODNYDNPMLCLLH-LGMFEZOGSA-N 458.563 0.710 30 20 JCED COC(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828506128 XTGUOESABSPLEE-DEOSSOPVSA-N 471.510 0.952 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1829267115 RJHBVGZVJZRKAC-GBXCKJPGSA-N 470.526 0.223 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829373794 QRVCPIBCHVCJTJ-UQBPGWFLSA-N 496.520 0.053 30 20 JCED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830458016 ISDHTAPPRGEYCA-XMMPIXPASA-N 456.543 0.816 30 20 JCED Nc1n[nH]c(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)n1 1830468193 HPJKSTNKEYYOTA-QFIPXVFZSA-N 472.933 0.481 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)C2)C1 1831387843 RULVZLRBLRNSDU-CJAUYULYSA-N 490.553 0.750 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1832000515 RLUFKKXBQVGHDK-AUFFKQJYSA-N 479.574 0.805 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO3)c(C#N)c1 1832162262 LAOVMNCSIDZRAI-SFTDATJTSA-N 485.459 0.879 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832205778 QWYKNGZZTFVXBL-VWLOTQADSA-N 481.553 0.586 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832298872 UJPQNIXTGYOMQT-DVECYGJZSA-N 494.589 0.228 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCc3sccc3C1)CCO2 1832585409 ILFHQPJURLASGL-YJMIJIGASA-N 488.610 0.421 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncn(-c5cccc(F)c5)n4)CCO3)C2)CC1 1833351606 NTFPGXMGJWUKHV-QFIPXVFZSA-N 454.462 0.780 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1 1833465588 KFSQXZLWRKCDOX-PXNSSMCTSA-N 480.606 0.482 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)c(O)n1 1833699599 FBYUVSDSAQLHJF-ZHRRBRCNSA-N 471.518 0.224 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)c1 1834565203 SGGZAQZNLADCPL-GKVSMKOHSA-N 492.536 0.637 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1834776170 DKGLAMYZDFBDQA-KRMZCJOASA-N 493.557 0.479 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835171060 NILITMGNOWRENM-XMMPIXPASA-N 474.510 0.924 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)CO2)C1 1835362538 NBBQBRIMKYLCMH-UUOWRZLLSA-N 492.573 0.773 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC2CCN(C3CCN(C(=O)c4cc(C#N)c[nH]4)CC3)CC2)CC1 1835440324 UBZYPIFYTDXBFU-UHFFFAOYSA-N 490.630 0.743 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(C#N)c3)CC2)CC1 1836259051 FTDKZRDAEDNAAH-OAQYLSRUSA-N 457.531 0.808 30 20 JCED CCOc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cnc2c1cnn2C 1836377901 MGBVQLNMISRVTB-DEOSSOPVSA-N 467.526 0.850 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836993268 YDHCRSPHJQBFAZ-NTKDMRAZSA-N 473.526 0.661 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836995265 IXZYVTMZIQOWGA-UHFFFAOYSA-N 473.574 0.582 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1837402258 AGXTWFUSVORQSO-HYBUGGRVSA-N 469.542 0.910 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837403484 MUOXQBJGKVTVHX-JTSKRJEESA-N 450.488 0.447 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837636837 OHVKRHUXIUOMJO-JXSPYEIYSA-N 489.525 0.418 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2)c1cccs1 1837796199 RGXJIRWYWXLKSY-YADGQWAMSA-N 475.483 0.889 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncnc3C)CCO2)C1 1838100149 VWJABZQDLZBWAM-YADARESESA-N 487.557 0.772 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838478055 ZAAKPDKINDIKTI-JONYFANXSA-N 476.486 0.409 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])CCO2)C1 1838601867 XNOOECZGSJUNLE-WMZHIEFXSA-N 493.513 0.952 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1838642580 YOUVAYJNMPNRJG-UHFFFAOYSA-N 467.519 0.037 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)[nH]n3)CCO2)C1 1838666455 URLHWFDGQCOBHJ-SBUREZEXSA-N 475.546 0.705 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)CCO2 1839043858 XDMMMIIFEWXKME-DEOSSOPVSA-N 467.522 0.171 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839082648 OKPKNHTZRVPRSJ-WOVHNISZSA-N 487.597 0.542 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839100828 XYGQFPIXTRSDHL-NZQKXSOJSA-N 452.596 0.062 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CSCSC3)C2)C1 1839175208 URDZZIFCWMXXPO-DYESRHJHSA-N 487.644 0.995 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c(Cl)c1 1839783964 GFIQXRBNMROTLU-NQIIRXRSSA-N 481.958 0.859 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]4CCCO[C@@H]34)C2)C1 1839811724 LVCZASJGDNDUJV-XDSPWSPCSA-N 491.585 0.738 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)cc(C(F)(F)F)c1 1839872657 KMBYNTSUOVSNJI-KKSFZXQISA-N 480.443 0.783 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840715376 YZHOUOUPXRTGHS-CODAWKSHSA-N 472.542 0.535 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)cc1C#N 1840764093 IOJLAMHWQMZQCT-UQBPGWFLSA-N 484.553 0.942 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1 1840815911 IZKSNKWSHCUJOI-DEOSSOPVSA-N 454.527 0.875 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1840915420 FGRZCLULASPNFP-MHECFPHRSA-N 494.589 0.405 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840946053 UEBYFEQPDHYPOP-KUHUBIRLSA-N 461.556 0.720 30 20 JCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)C2)c(O)n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c1cc(C)n(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4)c3)n2N)n1 18805871 GYMIVFYCFWBVFZ-UHFFFAOYSA-N 489.587 0.996 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 26016747 RFHRSEUPGOIZHD-UHFFFAOYSA-N 472.548 0.616 30 20 JCED CCCNC(=O)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 31159629 XRPOFJRDVXVPRW-UHFFFAOYSA-N 476.603 0.565 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc3ccnn3C)c2=O)cn1 523180640 AKLMLBSXJITKGY-UHFFFAOYSA-N 469.571 0.283 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccc(OC)nc1 524274861 CPBKNBOZCZGXOF-UHFFFAOYSA-N 476.514 0.879 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCNS(C)(=O)=O 589160316 GTINWKKOBIFADK-AWEZNQCLSA-N 463.581 0.586 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(C(N)=O)cc1 608828486 XLEDIUUDUOWDSW-UHFFFAOYSA-N 496.495 0.638 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cc1F 608911015 DDPFFKXLMYIAPY-UHFFFAOYSA-N 452.467 0.685 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 728533314 GFHGFTWMFUQIFU-UHFFFAOYSA-N 450.499 0.916 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCS(C)(=O)=O 729674478 IEPJXIUKDZDUOZ-UHFFFAOYSA-N 499.561 0.975 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCOc3ccc(S(C)(=O)=O)cc3)CC2)o1 746643921 KMSKTWWEWOCJAU-UHFFFAOYSA-N 476.511 0.919 30 20 JCED Cn1cc(/C=C2/CN(c3ccccc3)C/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 747317582 YLUYXDWHOLXYER-VRNBXGKJSA-N 475.505 0.038 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 769641691 FXPGOCFHXQGMJR-GOSISDBHSA-N 497.595 0.728 30 20 JCED CN1/C(=C/C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C(C)(C)c2ccccc21 825370754 ZMPFSEARXBVUSS-LICLKQGHSA-N 451.483 0.858 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 915873351 GQKPCEUJJMRSDC-VKWHMPGMSA-N 495.583 0.603 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCOC 918173973 OMICLOKMVHZDKX-UHFFFAOYSA-N 463.581 0.379 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1303461376 WAHWVNRGBDYNRL-CLOONOSVSA-N 497.600 0.915 30 20 JCED Cc1ccsc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1360923046 JLJWYEPHPLAUQO-CVEARBPZSA-N 466.589 0.952 30 20 JCED CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1509792255 UOXOZMNKWBCNAT-UHFFFAOYSA-N 466.589 0.625 30 20 JCED COCCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555414605 UJTVTVGGRWMWMP-RBUKOAKNSA-N 495.650 0.850 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CCO1 1722843787 QZAIKOPIMGIPGV-SFHVURJKSA-N 458.544 0.735 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1729689901 PJMYQUAKTDUKQF-OAHLLOKOSA-N 463.445 0.061 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1730763827 KXLPNSWVUKGHFW-QGZVFWFLSA-N 456.569 0.404 30 20 JCED C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O)N1CCOCC1 1751151493 MJKSHAMTPYHUHY-QGZVFWFLSA-N 462.576 0.930 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn3ncccc3n2)C1 1778661904 APMVQLRZZMIDKH-AWWPTUBISA-N 452.515 0.715 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1779107562 TWPNZUTUYSDXHY-BUUPASLGSA-N 471.558 0.742 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1779335901 WAQROJPVXVJGSD-UTBIRPSLSA-N 483.606 0.959 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1780332947 KGOHIWAMJQIDIH-QFIPXVFZSA-N 456.524 0.976 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781168592 XNPOGANTWNQVMG-XDHUDOTRSA-N 491.589 0.869 30 20 JCED C[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170192 VMSRPOHWYGCGSW-KSFYIVLOSA-N 450.536 0.738 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781202140 UBULXHZYFPTPAO-YUTYXFNWSA-N 498.577 0.887 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CS(=O)(=O)N2CCCC2)CCO3)ccc1F 1781298662 NRAIUHGBXOBITG-QFIPXVFZSA-N 478.546 0.495 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)CCO2 1783053057 MPFWDKXBGOFOQN-QFIPXVFZSA-N 453.536 0.398 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378485 FKTSNWGJBRINSS-MHECFPHRSA-N 488.541 0.653 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1785572370 NGPMJZKHFHAZLS-QRQCRPRQSA-N 459.503 0.542 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1787393223 CDEDQNXEHVYIIM-MUGJNUQGSA-N 493.601 0.550 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(OC)n(C)n3)[C@H]2C1 1789403240 HPWMUPBLMAJLBG-BMFAXAFESA-N 489.573 0.939 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)c3cccc(Br)c3)[C@H]2C1 1789730497 ZRVOAQXKWJUFDA-QBWPOKONSA-N 465.300 0.550 30 20 JCED C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1789839843 NVYCYTLZQOPSLV-XSLAGTTESA-N 464.563 0.888 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C2 1793349533 AOVFTNZTOFZWDP-HUUJSLGLSA-N 478.590 0.167 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795602857 QTQFHIYTHMRGAI-RDGPPVDQSA-N 475.590 0.774 30 20 JCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1 1797153173 ZNDPUOIKUYEQCL-BFUACXKISA-N 470.526 0.652 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1797713009 AVQCBTDACYZCEN-RKGSWTEASA-N 495.617 0.767 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1799321740 LGDMMQAHEWTWGU-SFNKJDCFSA-N 462.551 0.727 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(=O)OCC)cc1 1799787555 JLNDOZQPYAORDY-VYOQICBZSA-N 455.511 0.925 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)[C@@H](F)C1 1800773703 JJROXAQAXQOUHC-NTODXPRQSA-N 467.494 0.259 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnccn1 1801411084 OCHQSQSUWISUBS-SHJAMOMRSA-N 471.558 0.915 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)ccc1F 1810351356 KBZIYVMIVPYPPD-HFRGRHLUSA-N 481.528 0.991 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1819840697 FPALDVQCWWCLGC-GXTWGEPZSA-N 459.528 0.352 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)CC2 1822918747 ZIMFTKOWSJEXSQ-QWHCGFSZSA-N 472.589 0.892 30 20 JCED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(=O)c1ccccc1 1831146028 WQCFJNYWSIGXOS-HHHXNRCGSA-N 497.592 0.914 30 20 JCED C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C(F)(F)F 1832167835 XZCYZFRNUDWWLC-PMACEKPBSA-N 471.432 0.707 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3COc4ccccc4O3)CCO2)C1 1832492464 MCEAQJNHGMXXCE-GBXCKJPGSA-N 472.542 0.565 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833095571 AWNCXSWYPIWPST-NTKDMRAZSA-N 489.573 0.565 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1833271819 NIVZDRFTXVZDHA-HXUWFJFHSA-N 462.591 0.857 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(Cl)c1)CCO2 1833580084 YQSJIGXRSWFTKU-OVRHDEQLSA-N 465.938 0.982 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834403202 SPOGRDPNNYUCJX-SFHVURJKSA-N 479.578 0.928 30 20 JCED N#Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)ccc1Br 1834678347 STUTXAKYOZAMSB-UHFFFAOYSA-N 490.406 0.989 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1835645020 NDRIAGXOWTUXTP-QFIPXVFZSA-N 487.557 0.817 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1835675112 VEJGVXYQXCBYHF-DEOSSOPVSA-N 458.559 0.941 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccnc4c3)C2)C1 1835676797 ASCSEIPOBZIIES-XMMPIXPASA-N 466.542 0.982 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4nnc(C)o4)CCO3)C2)c1 1836025613 PEKYQKOFWHGIOW-QFIPXVFZSA-N 455.471 0.571 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836141351 LBSBIBROBJCNBM-MQNAVGNWSA-N 490.561 0.204 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c(CC)c1Cl)CCO2 1836227316 FLAIAVNHMNPZPT-RMUOZIPVSA-N 465.938 0.554 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836394886 YWJKMCYJVIHSSK-RORQMLAVSA-N 472.502 0.328 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1836474218 YAVGFKRAMKSNQO-JLHGSKIFSA-N 455.552 0.541 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1OC 1837566926 UJGDAUUQGIDHJO-AMFJNGDOSA-N 472.498 0.881 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1837657383 VUFKAJAZIUVERW-DEOSSOPVSA-N 488.589 0.025 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1838400407 JJNBAGXDKVWGJL-UHFFFAOYSA-N 470.570 0.941 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4C)C3)C2)c1 1838580610 NEWMPIOLXPOHDD-XMMPIXPASA-N 466.494 0.649 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c(C)noc4N)C3)C2)c1 1838581742 LZOYGMCERWEYLU-JOCHJYFZSA-N 455.471 0.829 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839130489 BLGKCGZLXQLTPK-MHECFPHRSA-N 491.541 0.228 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1839175190 UGFCABLOAAQMQN-FQEVSTJZSA-N 454.911 0.653 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839187930 FDAQYWQSECBTCJ-QFIPXVFZSA-N 477.562 0.180 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1839227614 VMHIVZRXCPSFGA-XOBRGWDASA-N 462.532 0.957 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)ccc1Br 1839400849 CTCIWNKUKGDXCS-DJPFJPOOSA-N 493.358 0.114 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488167 BMQAUHAUUIKDKU-WNSKOXEYSA-N 466.498 0.195 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839513693 XNTUJEPLBIOQMB-HOYKHHGWSA-N 470.526 0.979 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839726915 NRKAKECFJFFHIE-GVUKDKGQSA-N 467.566 0.492 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839759316 MGSMRVGLYSHWMU-IIBYNOLFSA-N 453.511 0.862 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1839842137 LVDXQOXETMDBGK-VOIUYBSRSA-N 480.525 0.853 30 20 JCED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1839861822 LROFKMVGGFZEQN-HSZRJFAPSA-N 458.515 0.552 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840040048 MWIUYQKIMSOEFE-XFAGBWLFSA-N 493.557 0.614 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840045060 PBJNGOMKVOYFQS-BJKOFHAPSA-N 493.557 0.568 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1840175878 KAFBSNOUDNTQMC-JJEOQYAHSA-N 467.563 0.779 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1)c1ccc(O)cc1 1840222119 FFDBIFRHSNHVRT-YKSBVNFPSA-N 492.594 0.780 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCN(C)C)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251385 AEXUHCHWQLBHBK-CYFREDJKSA-N 480.606 0.960 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(C)nc1C)CCO2 1840336223 MIHFKGYAKLJERZ-IQMJAMCRSA-N 470.570 0.946 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)cc1C#N 1840763167 MOSPWFNYYYSZPL-RUZDIDTESA-N 486.569 0.748 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840795298 ZIISTYGJMXIYNR-YTZAWJCFSA-N 493.557 0.614 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1840909434 ZLQSPHRCCKHHNZ-YADARESESA-N 488.541 0.774 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)CCO2 1840955906 SBAGHGUQRMQFNG-HTAPYJJXSA-N 465.547 0.538 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1 1841650259 GJLLXYVFESKQOS-GJZGRUSLSA-N 495.533 0.104 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1844160268 YAHQHPMPCZPZKL-ZIAGYGMSSA-N 488.607 0.856 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)O)C1 1846173763 LOWXZNAGWHLPAR-GJZGRUSLSA-N 454.524 0.376 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1847262112 NBKRNXRFSKXITM-KPAKZDMISA-N 476.574 0.665 30 20 JCED N#Cc1ccc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)nc1 497489070 QFODPDIOZROMKW-UHFFFAOYSA-N 472.546 0.747 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CCN(C)CC1 516828487 PRLDKOZXCAJERH-UHFFFAOYSA-N 488.635 0.609 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1cnn(CC)c1 522386512 WUFILTODCBRIKH-UHFFFAOYSA-N 452.540 0.556 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 523256637 PGWNRCBNWNARDL-UHFFFAOYSA-N 486.600 0.449 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)c1 591260386 XOQQDXFSAIYOSB-UHFFFAOYSA-N 466.541 0.428 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCS(C)(=O)=O 729671217 KNDLWAAWDYOIPQ-UHFFFAOYSA-N 491.635 0.535 30 20 JCED COc1cc([C@@H](C#N)NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc(OC)c1OC 750574960 IUKZNVMZRYRPBZ-UKRRQHHQSA-N 464.500 0.559 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)o1 915365332 HTWUSPNDZPIPNO-IYBDPMFKSA-N 457.487 0.612 30 20 JCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)nc1 918263734 IHPNGQHIKRUNAT-UHFFFAOYSA-N 476.490 0.280 30 20 JCED CC(C)CCNC(=O)C1CCN(C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)CC1 1189391944 RRWNAJAOCGRRJT-UHFFFAOYSA-N 457.575 0.953 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1315054295 VZCCGVGPOAHPCB-IBGZPJMESA-N 467.530 0.692 30 20 JCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1462957178 YRPYUBRTIUWCRI-HNNXBMFYSA-N 458.562 0.633 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 1511701839 WOQGQYRYXRCWJH-APWZRJJASA-N 450.544 0.863 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1557523971 QCHDBIJVMUYOLO-UMVBOHGHSA-N 451.501 0.457 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1618840342 PEUOTQMHDPNJAL-UHFFFAOYSA-N 483.602 0.812 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1697708396 YEMXZJPVCWTFDF-GOSISDBHSA-N 472.571 0.937 30 20 JCED CC(=O)N1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1706003154 IVDZCLGLUUHSRE-KRWDZBQOSA-N 488.618 0.560 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccccc1 1706748089 SOUZJQOHMKWOSI-CVEARBPZSA-N 466.589 0.897 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1741877335 KSPVMLPTDWZYEJ-KURKYZTESA-N 469.612 0.318 30 20 JCED CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1747901069 KURDFTPOJXGZSW-OAQYLSRUSA-N 453.528 0.835 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060688 HWDUMZWSBGMHSV-CLOONOSVSA-N 493.601 0.791 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063962 VXPYGHOFEWAQAC-KOSHJBKYSA-N 479.574 0.401 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1779074127 VWQZGLFMXLUOGR-NFBKMPQASA-N 457.483 0.691 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)N4CCN(C)CC4)C3)C2)c(C#N)c1 1781093945 DAVVTHCDWFJTME-UQBPGWFLSA-N 469.586 0.575 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3cc(C)ccn3c1=O)CCO2 1781269540 YVQFEUGZWJLXDN-XMMPIXPASA-N 468.510 0.956 30 20 JCED CC(C)C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N1C(=O)c2ccccc2C1=O 1781370685 DZAMYVMFYFWKCX-KBMIEXCESA-N 481.505 0.615 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783164876 GCBWQQTUBPXNIU-QZTZHPFYSA-N 476.574 0.649 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785609008 JWQDMEDYFDMVOJ-PONJGIIJSA-N 483.566 0.386 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)[C@H]2C1 1788077970 NESCIKHFDONOLM-DRMAHVMPSA-N 480.525 0.755 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1789955893 YBFRNDJWNGICOJ-CVYDXHPNSA-N 456.503 0.484 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)[C@H](O)C1 1792452040 NKOILIDMFVQCFU-APAFKAMOSA-N 476.574 0.888 30 20 JCED COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1793170107 NLAXNBHCBHJAGT-BJWYYQGGSA-N 480.562 0.736 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ncn1 1793487205 VVBJVGHDZCUVKA-KRXQYRFLSA-N 461.519 0.855 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cccnc2)ccc1F 1793958847 PUFNCXBGXSDYHW-BBIADKPPSA-N 465.485 0.654 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cnc(OCF)cn1 1794411018 CVYSVDPFJJFESB-YJZWKNGWSA-N 451.455 0.515 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797103694 PLLHBLSPIBWQOZ-CCWDJLKJSA-N 494.508 0.283 30 20 JCED Cc1cnc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)cnn2c1 1797420066 FPSXNZOXNREOBM-NJENAKNBSA-N 456.503 0.770 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1799320661 LQEKCQFNLYIRBM-ORDFZIBCSA-N 493.561 0.034 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)ccc1NS(C)(=O)=O 1799780957 ZOMUOKZTISCKQH-BKEDOTJMSA-N 483.974 0.953 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799979833 GNFDNYGIHFQRAF-BEWOVKMTSA-N 476.574 0.711 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1801993258 NBLMCOXXEBSOCA-PQTWGXLHSA-N 469.494 0.485 30 20 JCED CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)CC1 1809600818 JDVNYYGOTHLUJL-IRLDBZIGSA-N 455.607 0.617 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1810101517 SSGJLZZSUJVZFY-JENIJYKNSA-N 460.535 0.434 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810395210 QRYOEZHHIFXMRK-IUUXNMOKSA-N 455.515 0.951 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)c1 1816674327 PEVYZUGHBUAFJO-JTQLQIEISA-N 479.457 0.819 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817078351 XJLWWLWKXPOPFM-OBJOEFQTSA-N 450.565 0.258 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)CNCP(=O)(O)O)CC2 1819899256 SUCYFKQFOAEFMO-DUCBRTEQSA-N 475.464 0.309 30 20 JCED O=C(CNCP(=O)(O)O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828971743 FHLCOMDNWZEGAW-SGECOUMVSA-N 474.495 0.860 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)COCCO)CCN2C(=O)OCc1ccccc1 1829228327 ZFPGVHUEHDRCJO-QHCPKHFHSA-N 458.515 0.751 30 20 JCED CCN(C)[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829335182 WRAXQBKPXAQFJK-KBMIEXCESA-N 484.553 0.867 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(Cl)ccn34)C2)C1 1829765320 UZUWSQVNRMCKAQ-GYLQWBMOSA-N 487.944 0.916 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830881573 DHNVKVVKEQKXHI-JLHGSKIFSA-N 489.635 0.673 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1831330716 XWOXYWQZVJCBTQ-YZZKKUAISA-N 492.598 0.711 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 1831397896 ZHHOWSTWYHJRNL-DVECYGJZSA-N 452.511 0.981 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1831420585 YMDPDBUXZDGWKT-KKSFZXQISA-N 467.544 0.146 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831448824 GZWCDHQWBGLJKH-HTAPYJJXSA-N 463.556 0.238 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NC(C)=O)CCO3)c(O)n1 1831471773 WHCIIJZHFBRDOI-XMMPIXPASA-N 474.558 0.891 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831742430 UBTYASUQRSOIBT-WAIKUNEKSA-N 489.529 0.169 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)c(C#N)c1 1833125017 FNTJPTHHPKKPKO-XMMPIXPASA-N 465.510 0.598 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1833475288 MBTRAZADJADPOC-IBGZPJMESA-N 463.623 0.313 30 20 JCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CC3)CC2)CC1 1834604485 WGKLLPZXJFJWGM-UHFFFAOYSA-N 456.503 0.632 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1834715892 RFUOTPOMNDNGOR-UHFFFAOYSA-N 455.625 0.275 30 20 JCED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)Cn4cnnn4)CC3)CC2)c1 1834873251 FCARYVRMFGNDGI-UHFFFAOYSA-N 450.547 0.749 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1835680411 IFPTUBQTTPVFLP-DEOSSOPVSA-N 481.557 0.619 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835753568 XPFNFOXBNVEYFQ-IBGZPJMESA-N 458.603 0.947 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)cc1C#N 1836151546 GOUAHGPYKJJLGE-QFIPXVFZSA-N 469.502 0.102 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c(C(F)(F)F)n1 1836321713 CTUVQGIQFHLWMY-LJQANCHMSA-N 479.419 0.334 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1837393160 LXJPAZDEXRYZHM-ZHRRBRCNSA-N 450.536 0.765 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1837432877 RTAYGTHRHOOSLM-QHCPKHFHSA-N 475.618 0.419 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1837524201 BQTCRVRRGDZZCJ-GUWIHSABSA-N 467.563 0.771 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524486 BXFSUZYQNNWLJU-BFBBILTRSA-N 498.577 0.885 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1837530250 KBSJKCBUUNNWAK-XCUVTCGESA-N 471.514 0.933 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cn4[nH]cnc(=O)c4c2C)CCO3)c1 1838471100 HKEXWDHBMUZZRW-RUZDIDTESA-N 490.520 0.895 30 20 JCED CN(CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1)C(=O)C(=O)O 1838580199 OZINPLGOJJVPAA-UHFFFAOYSA-N 456.499 0.713 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c[nH]nc2C)CCO3)c(C#N)c1 1838684024 LOZVWUIUCHPYRG-QHCPKHFHSA-N 453.499 0.911 30 20 JCED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n[nH]1 1839186685 JJSOVMANIVPEIO-HSZRJFAPSA-N 469.473 0.936 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1839225267 DKGAHVCGJMVDBC-WAIKUNEKSA-N 474.514 0.888 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839437387 UTCZSXIJQNNARE-XMMPIXPASA-N 483.525 0.847 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCc5cncnc5)C4)C3)c2c1 1839488110 YDPHJYSYPFZJJI-DEOSSOPVSA-N 475.509 0.927 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C2)C1 1840156936 YLPCFWHJCLNMCX-MBSDFSHPSA-N 462.616 0.827 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840571909 WNJHQUIHGPDANZ-NLFFAJNJSA-N 492.617 0.701 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccc3)CCO2)C1 1840900554 NWEMGGKHJMMJIC-XLNZFTOWSA-N 459.543 0.852 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC(=O)NC)C1 1841561616 VGQURHRRYBWPIF-OAHLLOKOSA-N 481.550 0.131 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 1841604472 XYEINZQYQVHCEG-UZEJHQAJSA-N 488.585 0.601 30 20 JCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)c(C#N)c1 1843130508 DHSLBLDZJLVDMG-UHFFFAOYSA-N 469.523 0.778 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848128331 CZKABHWZEMSCCM-VGWMRTNUSA-N 463.535 0.646 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c1 14731398 GUEBPSWBSGWTHC-UHFFFAOYSA-N 454.552 0.672 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1-c1cnn(CC)c1 522389405 IDNWHHURWKRUET-UHFFFAOYSA-N 465.535 0.938 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O 524410643 KKGUPBCLRBXOTA-UHFFFAOYSA-N 487.525 0.995 30 20 JCED CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1 590997053 RNXJVHAUMTZPOD-UHFFFAOYSA-N 481.578 0.155 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1C 604447871 MPZMNJVOISXOGY-UHFFFAOYSA-N 454.411 0.222 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1=O 726044011 YIXYURQBPOTISU-NSHDSACASA-N 460.399 0.014 30 20 JCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)nc1 915778356 XWRDLXQBXJZOPM-UHFFFAOYSA-N 455.500 0.591 30 20 JCED Cn1c(=O)ccn(CC(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1=O 916952430 FJVRTWBJPNXDMR-QGZVFWFLSA-N 473.511 0.069 30 20 JCED CCOC(=O)c1cnn2c(O)cc(COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)nc12 918872749 OPHBWETYAKMNNK-UHFFFAOYSA-N 459.440 0.394 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1286884811 WMMFVQHGKYQCEX-UHFFFAOYSA-N 467.530 0.679 30 20 JCED CN(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCOCC1 1298047562 LWUCIDLJRMJDRP-IBGZPJMESA-N 495.650 0.852 30 20 JCED N#Cc1c2c(cn(CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c1=O)CCC2 1473024276 KHINAEWJKRVAEG-UHFFFAOYSA-N 456.524 0.546 30 20 JCED COc1cccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1504323031 SWJFXPYWAIXNRJ-SFHVURJKSA-N 453.503 0.568 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539799618 REPOUGKZANGNAK-AWEZNQCLSA-N 455.928 0.622 30 20 JCED C[C@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1692807381 FAXRADBEPVMFSA-OPYAIIAOSA-N 482.607 0.671 30 20 JCED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1707955860 OVXBJNKMPFRGOZ-INIZCTEOSA-N 467.530 0.678 30 20 JCED Cc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1742221186 JGTRBXRWWJCZHW-RBUKOAKNSA-N 460.560 0.891 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1750209927 LJBVOBCBTCHCNW-UHFFFAOYSA-N 483.501 0.192 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1751096198 NOROOEIMMRQBKZ-KBPBESRZSA-N 467.518 0.843 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760374278 LLIIIBBLZHSCDP-OAHLLOKOSA-N 486.961 0.619 30 20 JCED N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(=O)NCC(F)F)CC2)nc1 1771533494 NEEIMJNIMGMARF-AWEZNQCLSA-N 459.461 0.204 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1778979912 QLRFHFDDOPRNPM-GAJHUEQPSA-N 469.579 0.931 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1779225890 NVLLQDWCDGAETA-STSQHVNTSA-N 474.562 0.661 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1CCCS1(=O)=O 1781654843 OHTSPISDNRSZAY-PQWKGXQHSA-N 454.593 0.549 30 20 JCED CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015699 YYHPWLUUXXVMHK-XMSQKQJNSA-N 458.471 0.876 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1782146743 HEQSZXPFHWUQKX-ICTHTSFCSA-N 479.530 0.531 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1782764645 HGKLUDVNUARRNP-HOIFWPIMSA-N 460.535 0.586 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C1)C2 1782853179 QUMCIVPLPIBRMC-XDHUDOTRSA-N 480.525 0.966 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)CC)C2)C1 1783091510 XUOHIODYBHWCCY-MWTRTKDXSA-N 496.561 0.601 30 20 JCED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1)C(=O)O 1783131748 GPMDHVLHQYKYOE-LYHRCORUSA-N 458.515 0.514 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1)n1cnnn1 1783133951 PCFRCJWMRJKGIP-ZWDAVXSWSA-N 453.503 0.699 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1783535206 BZGQKPDVIGJNIW-NNMDPDCNSA-N 471.510 0.655 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1784518236 JZYYNDLTJGNTHN-XWSJACJDSA-N 454.589 0.345 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785379762 DRPUFEANZXKKFN-BXKMTCNYSA-N 478.509 0.375 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1785577497 XNWVCERHQLOWHE-QMHKHESXSA-N 475.546 0.789 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1786576763 VEDNHYAXNMCFOW-ATIWLJMLSA-N 462.547 0.161 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)CC1 1786698675 PPQDVEJWLUSVBP-FHWLQOOXSA-N 475.590 0.823 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)CC1 1786705280 QDMDYUNKNMQZRT-FHWLQOOXSA-N 463.579 0.823 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1)NC(=O)OC(C)(C)C 1786809282 MXRNFZREBZKVBI-YVSFHVDLSA-N 466.583 0.309 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Cl)c4nncn4c3)[C@H]2C1 1788557615 UCJTXWLMMKNXSV-MJBWGRTLSA-N 472.933 0.834 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)n1 1788731199 DMLVVICJIDCLMT-ZGKUKWLPSA-N 489.573 0.796 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1792257006 PQTONZFAINJBTK-FFGOWVMKSA-N 499.568 0.916 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)C2 1792484811 VFJCEIWFZNVXNQ-NOAIIALASA-N 466.538 0.853 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1793349858 OHWBMAJQIHDFSK-JCECYMMASA-N 481.546 0.071 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1793383371 TXSQHTJKPVZFNH-WTLGNFPFSA-N 450.557 0.993 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1C 1793545217 VEOCJXJIVWYCIB-UKBAYJJMSA-N 459.547 0.848 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1-c1ccncc1)C2 1795597986 OEQMQQWTKVZMKL-XEMDLRDOSA-N 451.531 0.752 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(cnn2C)c1OCC 1796069898 RZXZJHFAVSYKTJ-GGXPGOJBSA-N 455.515 0.609 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)[C@@H](C1CCOCC1)C(=O)N2 1797327703 IBFSVXWSEWDEHE-OIDISNMWSA-N 481.505 0.440 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)n1 1797742157 HMIQDBQPLDVECS-VRSUEAKESA-N 460.491 0.673 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Cn1cncn1 1797903780 XZDYGNHIEHMWOD-OYSTVDSJSA-N 474.562 0.420 30 20 JCED Cn1c(=O)c2c(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CCC3)C4)csc2n(C)c1=O 1799062869 XIRLLVZKUINXDR-JLVBRIDZSA-N 485.566 0.125 30 20 JCED C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799237876 NNMJCMYWLZAJJP-WCXIOVBPSA-N 450.536 0.498 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCS2(=O)=O)c(Cl)c1 1800393755 KVIJVXAPCJQBMJ-DACLVMHWSA-N 451.932 0.992 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c1 1801766496 ULJLWBFHQGGUCS-IBHRTIHJSA-N 474.583 0.247 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2)NC(=O)OC(C)(C)C 1801930879 WUOHYXNQTLECOQ-CLWJZODNSA-N 497.662 0.920 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1802114722 QTEBCMILNFBIHT-RFCBENFFSA-N 472.542 0.924 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)C2(N3CCN(C)CC3)CC2)[C@@H]1c1cccnc1 1802486735 ASODWOMRFXUSFN-OANJVXEKSA-N 480.613 0.726 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(C(=O)O)ncn2)[C@@H]1c1cccnc1 1804964981 SFALMHJNWWRAHS-GLPQSPQZSA-N 464.482 0.748 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806077555 GHIFMMDRFKENMO-WRWLIDTKSA-N 450.499 0.379 30 20 JCED Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n(-c2cccc(=O)n2C)n1 1807742617 LWWWUALYDMYJMQ-MHECFPHRSA-N 488.504 0.682 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1810387406 FEDCTGZFOJXURQ-CBWPXHNPSA-N 487.582 0.530 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1811407985 VDVFGUOCTDSACF-IIBYNOLFSA-N 499.491 0.721 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1813174822 JASVISJRWKODBZ-SDWKVFCTSA-N 469.498 0.541 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)NC(=O)c3cnccn3)sc2C1 1820022108 XVIFIKDWTOMKRL-IHRRRGAJSA-N 456.528 0.702 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824977554 XJTKPCCQFFWQBQ-FQEVSTJZSA-N 483.631 0.846 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCN2C(=O)OCc2ccccc2)C1 1828982872 LAMRPEKDMHNGLE-UZUQRXQVSA-N 488.614 0.597 30 20 JCED C=CCSCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829044450 LVJYAEOMUKUNHW-WMZHIEFXSA-N 475.615 0.644 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCN2C(=O)OCc1ccccc1 1829134037 WFMOEEPXQFVZPK-PXDATVDWSA-N 499.520 0.567 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCSCC2)CCO3)cc1 1829704632 IOQSSKQCUPKETO-XMMPIXPASA-N 472.611 0.996 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1829769991 ASFRIVMNYZFTGH-YOXWTLATSA-N 459.528 0.553 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(O)c3)C2)C1 1829773761 UPQAJDLOLZRJFX-FFYIOULGSA-N 457.527 0.640 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(Cl)c1OC 1830168481 QGBOKAMEBXZQEG-OAQYLSRUSA-N 466.874 0.515 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831742429 UBTYASUQRSOIBT-QMHKHESXSA-N 489.529 0.169 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CC(=O)N(C4CCCC4)C2)CCO3)c1 1832359972 GLTQUVWPTICDAV-KOSHJBKYSA-N 469.542 0.747 30 20 JCED COc1cccc(N2C[C@@H](C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)CC2=O)c1 1833043853 ACQLVZQRCLCROD-SFHVURJKSA-N 496.564 0.708 30 20 JCED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1833076928 FRBXLTCICSUFNB-UHFFFAOYSA-N 470.578 0.990 30 20 JCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c(F)c1 1833631911 HGMIWUNMCGNPAY-WGBQGACBSA-N 463.510 0.771 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3O)CC2)CC1 1833962647 MHYOWIJLGCPVIW-UHFFFAOYSA-N 460.531 0.780 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOCC3)CC2)CC1 1834634985 HJHANQRBMDEWFL-ARJAWSKDSA-N 461.607 0.139 30 20 JCED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797618 PYQGKXMXMSAEHP-UHFFFAOYSA-N 453.547 0.796 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835657355 NQPYLVAJVKZVHT-AOMKIAJQSA-N 497.618 0.376 30 20 JCED CC(C)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)C 1835897360 BRHGMBHDAQHIGP-ZRINGLHMSA-N 451.612 0.937 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)c1ccco1 1836126890 WIZAXXXYBLDQRQ-AWUSRGSFSA-N 487.534 0.966 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837201932 NJZFIBAFOWYHND-OFNKIYASSA-N 474.514 0.012 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)cc1 1837246284 BSXVWPLHDKNOLM-SOONCWKUSA-N 466.538 0.782 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1837399250 PFWITVZYXSDFRD-DVECYGJZSA-N 457.527 0.573 30 20 JCED COc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837524275 DPHDPIIHVXEKHB-MBIGCVILSA-N 462.503 0.689 30 20 JCED COCc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837531709 UIQHMOHHGJQQEL-PHBSZKRHSA-N 464.519 0.760 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1 1838349463 MOMYFGKZQQZXEP-QHCPKHFHSA-N 458.515 0.254 30 20 JCED Cc1c(Br)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)nn1C 1838769452 YLHRYLLCAPLHIL-GOSISDBHSA-N 454.325 0.865 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2 1839139565 LSXKQLURXFLOFG-QHCPKHFHSA-N 467.563 0.788 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)ccc1F 1839187691 RHEBJJFPLOJLDC-JOCHJYFZSA-N 455.446 0.506 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1839204082 GOLXVYLGKGVERC-MGPUTAFESA-N 495.495 0.837 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1839223581 ABSDJXXOXPTPHC-WZONZLPQSA-N 495.598 0.890 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1839226076 CQJTWOWRRXIHOJ-OPAMFIHVSA-N 493.586 0.149 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNCP(=O)(O)O)C3)C2)c(Cl)c1 1839423597 MKOUSLOTCNONOL-LJQANCHMSA-N 486.849 0.006 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1839887593 JOWYWYFVXFJECC-FQEVSTJZSA-N 487.525 0.908 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCC(F)(F)F)c(F)c3)C2)C1 1840043549 FQGGKMMASHEJMW-HXUWFJFHSA-N 488.390 0.925 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840170969 GRIWJCIZCWZRLW-RUZDIDTESA-N 492.617 0.799 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840371918 ITEQPFAFXLWKDC-NFBKMPQASA-N 459.547 0.107 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C(=O)OCC)CC3)CCO2)C1 1840816852 TWIGBAPHRMHPCS-FDDCHVKYSA-N 465.547 0.350 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820056 WEYIDOXLAACYFP-UUOWRZLLSA-N 472.542 0.698 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195426 OORSXUXQNQTIQL-GOSISDBHSA-N 470.526 0.996 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1847805328 VBSWYGFSFFYMRT-ULQDDVLXSA-N 483.550 0.518 30 20 JCED N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 497581048 RYKYLVPXSXYVHH-UHFFFAOYSA-N 496.570 0.813 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CCOC)[C@H]3CCS(=O)(=O)C3)nnc12 503617739 YPYXMXOYTWAWJH-HNNXBMFYSA-N 491.595 0.984 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 522284633 FZFMMERRYQGUDI-UHFFFAOYSA-N 470.551 0.267 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1Cc1ccccc1 603826141 VLHPXDFYOKPNCP-UHFFFAOYSA-N 477.542 0.995 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)cc1 642936945 MDWJFHJYTXXJLG-UHFFFAOYSA-N 494.595 0.797 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)cc1Cl 726961042 DXUKNTCKVIPKJN-UHFFFAOYSA-N 485.953 0.656 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 811679378 BUYUOEITEXEOKW-VBKZILBWSA-N 452.533 0.653 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](C)O 887546098 AZHXWJIRFNRGMG-GLJUWKHASA-N 463.512 0.811 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c3ccccc3)CC2)o1 914683349 BBJDSJFOAPJDGT-KPKJPENVSA-N 473.511 0.637 30 20 JCED COCCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 1459894161 OLXOEIHWJDFGQQ-VQTJNVASSA-N 452.552 0.670 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC)C1 1507784518 IYEPQQRUGQMIAQ-UONOGXRCSA-N 491.412 0.482 30 20 JCED Cc1c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cnn1C 1510511800 ZXAWTUREEOKJBK-MAUKXSAKSA-N 452.516 0.143 30 20 JCED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1518265611 RMPIMTVCAOASCV-BBRMVZONSA-N 450.521 0.683 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1518520148 PVPPJAZWQZEARF-SJORKVTESA-N 476.559 0.876 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)CCO1 1555993166 JTZVXAVZSGKBQA-DLBZAZTESA-N 450.565 0.702 30 20 JCED CC[C@@H](C)[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)NCCN1CCOCC1 1565583619 RBXBTYDPNUFOEL-OXQOHEQNSA-N 453.547 0.919 30 20 JCED C[C@H](CC(=O)N1CCC(N2CCCS2(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1570311287 MSMKEVNKIHXCIT-CQSZACIVSA-N 454.574 0.530 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1618842322 PIVMRQVFDDTHBO-LJQANCHMSA-N 470.559 0.776 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nccn1C(F)F 1692792056 BYRQRLIXFAWGNP-TZMCWYRMSA-N 469.522 0.705 30 20 JCED CCCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1695444931 MCJKMLFHWAFVBP-HNNXBMFYSA-N 450.503 0.930 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1698494128 SAVDYKTYRQWHSH-FUHWJXTLSA-N 476.534 0.407 30 20 JCED CCc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1709171916 PQKSRPXOBYAUTM-CZUORRHYSA-N 462.580 0.972 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)c2ccccc2)CCO1 1712884578 OLJMFBBWRGQKJB-JKSUJKDBSA-N 465.557 0.383 30 20 JCED Cc1cnn(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)c1 1724975024 QWSLNVCPJWILQS-SFHVURJKSA-N 462.580 0.946 30 20 JCED CCS(=O)(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1729224421 LOMKUKAFAPDOCX-HXUWFJFHSA-N 474.522 0.573 30 20 JCED C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1750102853 VKVMKRRUTRXZMA-DLBZAZTESA-N 490.586 0.845 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1767815823 NLGMVSSVGFZYJY-UHFFFAOYSA-N 475.575 0.725 30 20 JCED CC(C)(C)OC(=O)N1CC(C)(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1778884272 LZECDPLUZDMHTL-WAIKUNEKSA-N 463.531 0.845 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)[C@@H](O)N4CCOCC4)C3)c2c1 1779415881 PDRPBFDAGQRYCI-CTUHWIOQSA-N 482.541 0.213 30 20 JCED C[C@H](NC=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1781252205 OJMKXASLHZZLAB-GAJHUEQPSA-N 477.562 0.492 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1781394316 CSOBFARLRIIJRK-OXQOHEQNSA-N 458.581 0.289 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1)c1ccccc1 1781839094 OPWDIBDJKZUBEJ-FKCDAAJZSA-N 485.625 0.984 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1782469566 XFRIZTDQKFONRW-YOSAUDMPSA-N 489.573 0.480 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1)NC(=O)OC(C)(C)C 1782666917 MVGLZNKIVPVAKI-KOSHJBKYSA-N 489.573 0.933 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1782892904 BLHOVARFXPXURD-WJONJSRFSA-N 486.635 0.896 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783178332 MCOWYOKQNGRXCL-VGOFRKELSA-N 452.552 0.812 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1783767188 OVOTZPXAZOLIBU-WAIKUNEKSA-N 477.562 0.894 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)C1 1783768422 MDQUVCAOFCESPX-VVBPWWLESA-N 484.550 0.350 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1)c1ccc(O)cc1 1784018054 FKNSDHCEFJQMTD-WWEVIYMKSA-N 456.543 0.312 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C[C@@H]21 1784485827 RNNHWYDKWYZMOV-XASIKMQRSA-N 461.471 0.941 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1785572554 OKGYKRGQEDJCIM-SZNDQCEHSA-N 478.575 0.940 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1785576967 JPGUCYIHHRNRSS-WAIKUNEKSA-N 473.530 0.845 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](CC)NC(N)=O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380307 RHDHDGSXQFMPDZ-VMXHOPILSA-N 493.605 0.979 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C[C@@H]21 1792176181 SODQEEFQNBBXHS-LSTDLKDCSA-N 465.547 0.836 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)C(C)C)C[C@@H]21 1792255387 KGLIUAIKBZNULL-QXCZDIPSSA-N 451.564 0.900 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cnnn3)C[C@@H]21 1792258385 BXWQMESPSNCJAP-TXTZMMAHSA-N 475.550 0.130 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2 1792490457 YKVNPWHDCTXJLG-JTVGABBVSA-N 450.536 0.348 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1793592607 NISILKCYTPIKKU-DFBDCSAJSA-N 487.619 0.726 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077485 LUCWHDIMYCATBB-KYHPRHEASA-N 495.577 0.908 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1sc2nccnc2c1N 1795706585 JCIMYOHZYVDQFW-YWVIFJGQSA-N 459.528 0.986 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796109179 SPAHXDCACIYSMP-CCWDJLKJSA-N 471.594 0.067 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O)c1ccc(O)cc1 1796324022 MERORMAYLIXOJW-DCIOMXRHSA-N 456.543 0.926 30 20 JCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797104973 LSCOIUFRUBDINK-YWVIFJGQSA-N 472.452 0.985 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1797710854 NJIUBLSKPOVVCY-PJVZLEMVSA-N 481.590 0.785 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(OC)n(C)n2)c(C#N)c1 1798760043 LJGUMQHSPWPCKX-FAQVEIGNSA-N 453.499 0.755 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2)c1ccc(O)cc1 1801058418 XKISDMYFPMQJNT-QSNWEANLSA-N 471.510 0.022 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1)C2 1802125047 NKCNZZKMEZFFHC-JTJHWIPRSA-N 462.591 0.979 30 20 JCED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@@H]2c2cccnc2)C1 1802405469 KGMASFKKTYZLFI-FXAWDEMLSA-N 491.552 0.501 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1808434122 YEBKPMHVQWWVCQ-QRFRQXIXSA-N 480.587 0.925 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cc(C)c(O)nc2=O)[nH]n1 1814440036 KRXHMQNQCRKUAR-PTZVLDCSSA-N 469.502 0.531 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819776415 BNWYCISMJJKDLG-CRIHDISZSA-N 450.565 0.678 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNCP(=O)(O)O)CC2 1822922677 YSFCUNPNPAZLRF-LLVKDONJSA-N 460.449 0.289 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)ccc1F 1822961722 GGZDCULQXWDDGW-GFCCVEGCSA-N 493.484 0.748 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)n(C)n1)CCN2C(=O)OCc1ccccc1 1828646026 CSURJKLDBYVTNC-HSZRJFAPSA-N 451.483 0.825 30 20 JCED CC[C@H](C)[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330691 OGDOYVVTGGAKJN-PZGSVQSZSA-N 485.537 0.934 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3C)OCCO4)C2)C1 1829766268 OXSUBPOPQABGMG-KBDOHKNDSA-N 485.537 0.695 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1829770297 HUZBCIVUCOHJCP-KSEXMQBYSA-N 457.531 0.148 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1829770444 QGQMNZOJVIAPRI-QDFBPKLPSA-N 457.531 0.197 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1829773735 SEJHMKBLIVLDMO-VRWDYKOXSA-N 492.573 0.170 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)C1 1830428646 IDMTZODERHMIDC-QMHKHESXSA-N 477.583 0.542 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468003 BWWVAYPATFWKRO-SBUREZEXSA-N 476.961 0.856 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C)CCO2 1831727665 PSCIZHHKHVZDJS-MFSJNOQSSA-N 479.574 0.881 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3C(F)(F)F)CCO2)C1 1833325038 ZOJZEGNIFMKDRP-AUUYWEPGSA-N 458.437 0.547 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833466483 GXFBJOMPKRLSCX-GHTZIAJQSA-N 494.633 0.872 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1833482848 IOADPKLXCUXZJG-QIWJOQEQSA-N 466.604 0.951 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834450516 MTACRHWLWUCRID-GAJHUEQPSA-N 475.546 0.407 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)[C@@H]2C1 1835363019 ZNHRNXCNSIOYSC-PDPLOHQNSA-N 462.547 0.859 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835495109 XOZCYWZDLWUVOL-JPYJTQIMSA-N 453.499 0.376 30 20 JCED Cc1nc2ccccn2c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677426 QYWLFJGQLHSSIJ-DEOSSOPVSA-N 468.558 0.995 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835766048 VOTUBPPKQZXZLR-RUZDIDTESA-N 485.585 0.159 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1835767213 IZNBDOJCMGCORX-OLCUMFGGSA-N 475.546 0.800 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2ccccc2=O)CCO3)cc1 1835993531 ZOUZLHOAMNVHOV-DEOSSOPVSA-N 450.495 0.419 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1837487153 XYSHJALJOKBOBJ-QHCPKHFHSA-N 465.616 0.190 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1837531697 TZNUOJYFUJIVDX-OBKNTDCBSA-N 450.467 0.820 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838583589 IXYKQYRBKZNYRS-URXFXBBRSA-N 472.542 0.942 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)c1 1838805668 QTWPGEHIVLYMDA-QFIPXVFZSA-N 456.455 0.431 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)c4ccco4)C3)C2)c(C#N)c1 1839131246 TZWYHCQGSNONTF-LADGPHEKSA-N 469.494 0.892 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C1CCOCC1)CCO2 1839139486 JIWASETZTPYYIH-CYFREDJKSA-N 479.574 0.786 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1839174940 FUERJHORXDRXQO-JOCHJYFZSA-N 463.487 0.817 30 20 JCED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486324 UAUUCMXQFPOIKL-NQKDMWHGSA-N 455.515 0.912 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1840060381 MGFFTFPXCQZRRB-IEGUWTFLSA-N 499.630 0.732 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1)c1ccc(O)cc1 1840220404 NJHIRXOHOOYPFW-SWYRRKHMSA-N 483.565 0.872 30 20 JCED O=C1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CCN1 1840227723 ZNFYBUKUWBBISV-WZONZLPQSA-N 459.930 0.674 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1840230158 AZRQYCZARYGRJA-SBUREZEXSA-N 456.499 0.163 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1840294723 OUXGAVAOBGGKFG-QHCPKHFHSA-N 474.583 0.542 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840319034 NLEKAKIXCQRQEB-AOMKIAJQSA-N 484.550 0.268 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840436668 UILHVGLYXYWPIM-HAGRQHFESA-N 477.562 0.565 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840498923 GWCRIJRFICMKCG-DEOSSOPVSA-N 466.494 0.737 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)cc1C#N 1840762702 KZDGXASOJCWNJX-XMMPIXPASA-N 486.525 0.868 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840844483 YJYUULHSZHGXNM-KBMIEXCESA-N 491.585 0.882 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1840882313 DZSCOJRSBFRMCA-HTAPYJJXSA-N 469.535 0.475 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)CC)C2)C1 1840909469 SUOVAOGDBIEQKM-OPAMFIHVSA-N 451.520 0.339 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)C2(C#N)CCC2)C3)C(=O)C1 1847125028 VTWUYWFUBFATPV-UHFFFAOYSA-N 459.547 0.963 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)C1=O 499036993 JGQJFVAUHJLFSU-UHFFFAOYSA-N 485.522 0.353 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C2CCN(C)CC2)CC1 516831703 PPPPHBPMSOSCQG-UHFFFAOYSA-N 495.649 0.852 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)c1 555735777 WSRXXFJYBAVKCG-UHFFFAOYSA-N 478.530 0.562 30 20 JCED Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccncc3)c2=O)c1 603789446 SGVBMTCVSDBLBL-UHFFFAOYSA-N 475.574 0.554 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCNS(C)(=O)=O 608913090 SKDFHMIDDNHACI-UHFFFAOYSA-N 483.015 0.532 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)c(C)c2)c1=O 609220565 VZNZCDAOOLSJJV-UHFFFAOYSA-N 458.559 0.719 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1-c1ccc(C(N)=O)cc1 609220813 JPBBKQLRHMSDFT-UHFFFAOYSA-N 474.542 0.960 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1-c1ccc(C(N)=O)cc1 609323280 FUGMPXJOZPGWPR-UHFFFAOYSA-N 498.948 0.918 30 20 JCED C#CCNC(=O)[C@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 820033349 CCKJNYPVVZHNTA-HNNXBMFYSA-N 462.528 0.208 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 838235749 KDBPFLYFCFFZER-UHFFFAOYSA-N 471.535 0.855 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)c1=O 915794631 GBTZYKLAZPAAPM-NVNXTCNLSA-N 454.468 0.149 30 20 JCED Cn1cc(/C=C\C(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(=O)n(C)c1=O 917504083 CVXMPDXVUUALAE-GIFJBRJJSA-N 461.482 0.391 30 20 JCED Cn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)cn1 1298828664 VJPTYNSPHJEUCY-UHFFFAOYSA-N 450.503 0.981 30 20 JCED CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1313999430 MRPCORWLZPYRBU-UHFFFAOYSA-N 450.507 0.757 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OC(F)F)cc2)C1 1316358453 YXDGWQANDLPCRL-IRXDYDNUSA-N 498.512 0.989 30 20 JCED CN(C)CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1517009457 IWQDGRJNCALWOO-ICSRJNTNSA-N 474.587 0.898 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC(C)(C)C1 1554303424 KKDRWKRJPBOYRE-UHFFFAOYSA-N 461.592 0.913 30 20 JCED N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)CC1 1620353362 KHEDRMXDWMCECP-HNNXBMFYSA-N 453.594 0.348 30 20 JCED CC(C)N1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1692489151 SFHPUYLEBUUHCW-GBESFXJTSA-N 481.623 0.460 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCNC(=O)C(C)C)CC2)c1C#N 1751827847 NNMAZONRFZGBBZ-QGZVFWFLSA-N 468.566 0.242 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(=O)N(C)C 1761497811 MHPVNTHTTBJGMQ-CQSZACIVSA-N 495.009 0.828 30 20 JCED CNC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)c1 1769183677 ZTPBQYXEHNOSRA-HNAYVOBHSA-N 486.602 0.473 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1779021113 FUJGZZSRVAJLFD-RLWVUDJFSA-N 454.575 0.685 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104740 GJFBAQGEQGANSQ-KBVBPZEESA-N 498.577 0.887 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)CC1 1779364536 ZEKVJYPGXSNWCN-VJPTWTESSA-N 476.622 0.136 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)nc3cccnn13)C2 1779365805 OTDDNSABGRJMAQ-XMEICTIRSA-N 481.557 0.689 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@@H]3CCCCO3)C2)CC1 1779423643 VUGFSKXFPGAEDF-LMSPAZJHSA-N 493.605 0.193 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1781264381 YEXNDQNICBVGKI-UUOWRZLLSA-N 493.557 0.904 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CCOC1 1781310646 VSRNFRCIGZITOL-ZDDFAFCGSA-N 493.605 0.972 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1782086340 SNPRCWDOKIJBOT-IVZQSRNASA-N 459.455 0.863 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(Br)cc(F)cn4n3)C2)C1 1782561759 NLDORKNMLWSPAV-GOSISDBHSA-N 480.250 0.162 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc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c1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(=O)(=O)N4CCCC4)[C@H]3C2)c1 1787505780 KTJIVCKVUHXHBN-JBACZVJFSA-N 474.583 0.886 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc5ncccn5n4)[C@H]3C2)ccc1F 1787939498 RAALKGHNYCAKAA-IEZWGBDMSA-N 463.473 0.971 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1788604087 OOLYGPOFORJQMC-RVCQPPLSSA-N 459.591 0.839 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)N(C)C(C)=O)C[C@@H]32)c(C#N)c1 1789842039 SKPUMDOBKXVDCY-VPPRVIDZSA-N 456.543 0.956 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789907761 UXYGUWSMPGKAHU-JCGQYXLISA-N 461.490 0.835 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789918960 NPJNGRFKQNRJFT-SOWBTEIWSA-N 467.563 0.444 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1789959575 QPJPVYZYTGYKPO-ATIWLJMLSA-N 497.593 0.536 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccccn3)[C@H]2C1 1790586571 RGRWTSOQAKDZNJ-STEXWYFWSA-N 459.547 0.981 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791077750 HIILRFCUFKGMAD-IKJLZNBSSA-N 475.542 0.701 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21)c1ccc(O)cc1 1791331346 QLCINNPIEJUDNF-UMBQZNGKSA-N 470.570 0.462 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1)c1ccc(O)cc1 1791396546 FWSYPMJJBHRBQN-WAGURGNTSA-N 479.533 0.794 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccccc4)C[C@@H]32)c(=O)nc1O 1792131083 AECADQNFFYQQRJ-UFYCRDLUSA-N 450.495 0.289 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)C1 1792634733 NXHPQYKKLJFNQF-JEZSTIGHSA-N 450.536 0.498 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C 1793002809 GSCDHYMUGIGVNY-YHDCXSKOSA-N 462.591 0.977 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)NC 1793285560 NDJHPRRZTMPAMC-RCJHGTSTSA-N 452.552 0.572 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)c1ccc(C)cc1)C2 1793356108 WTYGWDQFBCGCTE-DCXXXQMHSA-N 450.557 0.949 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)NS(=O)(=O)CC 1793535153 HQQKNTDDUIUKLH-SFFUCWETSA-N 484.619 0.869 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCNC(=O)c2ccc[nH]2)c(C#N)c1 1794037443 PWRNGFBTQDNZLE-NHKMSHSESA-N 479.537 0.847 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1794154049 JWPQASIWZBTKSZ-VWFIUDSGSA-N 486.525 0.195 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC 1795204011 KGUSOGUQQHSBEK-KYHPRHEASA-N 484.550 0.028 30 20 JCED CCOc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cnc2c1cnn2C 1795598714 ZKCFDUIGZVFEBU-HGKCTWBKSA-N 483.573 0.852 30 20 JCED COCCOCCOCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N 1796046782 TVKZXPMVEPYXKY-ACDBMABISA-N 468.595 0.603 30 20 JCED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)C2 1796325441 SZONQEHDMMFEET-DMUMMCEESA-N 457.531 0.996 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1797121833 UVHVLXBQDHEBNL-JEIKXUOUSA-N 487.557 0.707 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)[C@@H](O)C1 1799200390 VETVYJWOSJRNIR-MGGVOPSTSA-N 473.530 0.317 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(OC)cn2)C3)c(C#N)c1 1799237591 UJYMHVQYTKMSIR-FAQVEIGNSA-N 451.483 0.811 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2[nH]nc(C(F)(F)F)c2C1 1800319737 PPSSOOZOHZDJLP-CGEFAEBTSA-N 454.449 0.771 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1800716801 DYSWGZKKHOJNLN-BBPSPNIXSA-N 461.515 0.311 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(I)c(O)c1)C2 1800778537 GQBWZHLJMWXJJI-DPIQGUFMSA-N 484.246 0.288 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1800823180 AXMCIDJCLSDKOC-VEXWFWOFSA-N 462.547 0.762 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C/N=C/c2ccco2)C3)N1 1801443458 UUSINUCNHMVFKN-QYRMRLQDSA-N 487.582 0.517 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1802127701 WTOXTWKVFZYHJG-ZMMAXQRCSA-N 460.535 0.174 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2 1802138626 NJSDYNLGKHFNFF-IFSBAMAHSA-N 460.535 0.488 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1802938786 XOSFCLZWMGZTCB-KOSHJBKYSA-N 490.516 0.956 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@@H]1c1cccnc1 1803552659 ICFKAFKASUWXKK-DGEVVOEJSA-N 466.542 0.596 30 20 JCED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807023691 IZYUBQIHJNXXJS-FXAWDEMLSA-N 454.464 0.795 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807148269 WUJBCVSJLWNHKT-CUWPLCDZSA-N 492.584 0.978 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1810100447 UAPGVFLKVRQJRK-POAQFYNOSA-N 462.503 0.661 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1810247127 SCZOERCPCCHIEI-UXPWSPDFSA-N 466.542 0.914 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810328183 VZJDWNNNJNYQKG-CNNODRBYSA-N 455.559 0.379 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814768292 WSYQBWIGFGXHAN-AINDZBIGSA-N 458.481 0.252 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCN2C(=O)OCc1ccccc1 1828627451 BVLNJCCSTHCUGQ-DEOSSOPVSA-N 465.510 0.680 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829825276 YDGUJTQFXWTYOF-JEISCHNNSA-N 451.476 0.298 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)cc1 1829903950 GKYZLXHSFZNENZ-RUZDIDTESA-N 488.504 0.274 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2 1830296848 LLPRCTWGXIYZPP-DRBYORDMSA-N 480.562 0.214 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnc3ccccn13)CCO2 1830655410 QSSPCOTXWHIBSQ-WNWNSBFKSA-N 467.526 0.192 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCCN3C)CCO2)C1 1830778763 WJXMPXSQLSZOTB-RNHFSVANSA-N 492.617 0.844 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1831396191 ATMHVIVKZUCVJA-HXOBKFHXSA-N 475.498 0.641 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1831437728 HFFPNLIQIDOAJI-JPYJTQIMSA-N 467.563 0.902 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)CC1 1833407965 TVMVNNKCOLQIML-HXUWFJFHSA-N 480.565 0.695 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(O)n5)CCO4)C3)c2c1 1834193667 WTGKFQXYUICTHI-HSZRJFAPSA-N 462.466 0.919 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756375 XYYQITCCPNTWQM-NRFANRHFSA-N 454.524 0.288 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116342 GNDXMURLNOYNMQ-FQEVSTJZSA-N 484.663 0.557 30 20 JCED CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1835258844 YPCXWXPDPIYCNP-IBGZPJMESA-N 455.920 0.326 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2)c1ccc(O)cc1 1835413994 PEDXQTUXPVIMOX-RLWLMLJZSA-N 483.565 0.968 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682596 MBLHIIGOLDMTQH-UZUQRXQVSA-N 481.594 0.638 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNc4ccccc43)CCO2)C1 1835716563 YCOZURXOAWEOGQ-DVECYGJZSA-N 455.559 0.934 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836321917 PMUBWOYWVZOBSB-SZNDQCEHSA-N 495.458 0.733 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1837402437 BCEWNMMUKUWGKW-XMSQKQJNSA-N 463.487 0.944 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837403314 KFLYHFUPGYYIGH-AOMKIAJQSA-N 461.494 0.512 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1ccccc1=O 1837491165 VRJKPAWTXVLPKR-NLFFAJNJSA-N 471.554 0.564 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2)C1 1837502411 LDOGDPPBFFINIP-VQIMIIECSA-N 462.446 0.149 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1837529915 GXOCDFLWLNPQNA-GTBXIFBCSA-N 492.485 0.899 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1837533432 UBAAOAFJKWFXOZ-MFDGSOIASA-N 452.552 0.458 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1838330586 ALSDLLMRWPFQGR-GYCJOSAFSA-N 478.509 0.586 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=Cc3ccccc3NC(=O)C1)CCO2 1838443462 QHYOOSJECBAAFB-PAUWSZDUSA-N 494.548 0.727 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838475700 UTJOGZGIPODVPU-JOCHJYFZSA-N 459.503 0.162 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838569295 XDCGMRGCIIFLOJ-YCRPNKLZSA-N 452.529 0.224 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)Nc3ccc(F)cc3)CCO2)C1 1839028784 VREBPPDQPOAOBW-SBUREZEXSA-N 461.490 0.649 30 20 JCED C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CCCN1 1839123100 VLVYRSNYYAQORV-DHIUTWEWSA-N 452.515 0.647 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCN(C)C4)C3)C2)c(C#N)c1 1839132344 CYYPXZYFGKPQSS-CJFMBICVSA-N 470.570 0.908 30 20 JCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1)C(F)(F)F 1839210477 QNCAFMFYNZJHMJ-QRWLVFNGSA-N 495.495 0.837 30 20 JCED COc1ccc(Br)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839248654 DEDICKHNDHVHPG-FQEVSTJZSA-N 481.299 0.616 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(-c4ccc(F)cc4)no3)C2)C1 1840041118 RKXFOBICEDYFGS-QHCPKHFHSA-N 486.456 0.353 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840164386 HVVQBHVGJRHLAN-IWMITWMQSA-N 473.592 0.133 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)cc1C#N 1840764063 HGIMJNHHBSUOEK-VWLOTQADSA-N 496.520 0.340 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C)C2)C1 1840909603 XQKLYGUTBGZMMP-AOMKIAJQSA-N 493.586 0.833 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1840909617 XZFFEOTWRAEROF-OYHNWAKOSA-N 493.586 0.712 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1841597955 FCAWLJUEMJORKX-CFXYEOBUSA-N 469.604 0.890 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O 1847265159 PDFLUYXAMGSCAM-GFRGQMQTSA-N 456.518 0.933 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(-c3ccccc3)noc2=O)CC1 60107148 MWXTXMOGNDWMLW-UHFFFAOYSA-N 453.480 0.908 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480185536 KVBTXCVWUCUXNV-UHFFFAOYSA-N 498.605 0.288 30 20 JCED CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 516011550 GIUNOXXAJMFZAC-UHFFFAOYSA-N 476.536 0.433 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C1CCN(C)CC1 517990295 USKOWAMTLHGCHZ-UHFFFAOYSA-N 472.567 0.894 30 20 JCED CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 518822985 NIIAEAHULNCFTJ-LJQANCHMSA-N 461.519 0.647 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522541709 SPMPOORQOBUBLH-UHFFFAOYSA-N 497.602 0.420 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 523257029 FZCWIJXFRRJWSS-UHFFFAOYSA-N 466.494 0.403 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc(OC)c1OC 524281178 KEOVXZGAPPYXBJ-UHFFFAOYSA-N 459.524 0.539 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O 524282079 OVWVYYZZALMFES-UHFFFAOYSA-N 453.343 0.001 30 20 JCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCNS(C)(=O)=O 589161191 QYFYBPRXJCGAII-UHFFFAOYSA-N 477.608 0.976 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC)n(-c2ccc(C(N)=O)cc2)c1=O 608829045 YPMGDPGSNHBHFS-UHFFFAOYSA-N 493.501 0.554 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1CC(N)=O 608911154 NGVLFFRCVUJURI-UHFFFAOYSA-N 450.545 0.929 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(N)=O 608911308 ZWTRHYYXENKRJS-UHFFFAOYSA-N 472.479 0.193 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 729671465 OBNGLHQHNANGOP-UHFFFAOYSA-N 483.518 0.337 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NCCCN1CCCC1=O 804946165 ZDEFMVSDZNUWKU-XMMPIXPASA-N 468.510 0.823 30 20 JCED N#CCCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)cc1 848375712 UFTUGTFNEVIOQV-UHFFFAOYSA-N 457.306 0.927 30 20 JCED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1OC 916933177 AOPQVZKERRKCFQ-QGZVFWFLSA-N 486.506 0.785 30 20 JCED N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCC(=O)N2CCOCC2)cc1 1302994305 LHFMAALCJAJBJL-KRWDZBQOSA-N 453.503 0.289 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCN1CCCO 1360676985 YZGPQCMOZOGMMF-DLBZAZTESA-N 453.613 0.865 30 20 JCED Cc1nccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1492707553 ZPFSWVZYOZUDNW-MAUKXSAKSA-N 461.596 0.660 30 20 JCED CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1516795421 SCSRHKHWXCXVPQ-UHFFFAOYSA-N 454.578 0.579 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1692796860 SWQHADNOYHOOGK-GOEBONIOSA-N 466.612 0.370 30 20 JCED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1698298941 WPMDFBKJFGCCEO-WMZOPIPTSA-N 478.600 0.722 30 20 JCED CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1764675138 OTMRNGJALMXKOW-HNNXBMFYSA-N 454.539 0.271 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)C2)c1 1778115976 RYXLXHHCVCNLQP-HSZRJFAPSA-N 474.583 0.982 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138020 NIDHKIWEIJLIJW-DXDNHBLBSA-N 490.557 0.899 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C1 1779295925 PQFROQCQOJZGCP-QZTZHPFYSA-N 492.573 0.939 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1779329717 AGASEHDOCNHXSE-KYFSNAEOSA-N 459.609 0.401 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1779420918 AEFNUTBQGARFIA-AYMSFJCUSA-N 488.545 0.283 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1779553612 HQYGFDDXPBZOOF-UWJONJOKSA-N 451.568 0.123 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780804581 USHXZNRVPATIER-DJZBOODTSA-N 469.535 0.796 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1781166497 QYZGXKPOQFAVRS-IEGUWTFLSA-N 464.563 0.648 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786843 HSWVPGKGNSSOOU-XTSMJKTBSA-N 477.474 0.115 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783605661 YFODSTSDWVOLOI-MYGLTJDJSA-N 471.510 0.575 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1783767146 WOHWLEMVGUUDGE-ZHRRBRCNSA-N 464.567 0.126 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C[C@H](NC)C(=O)O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090423 QJBGHYYRZBTPTL-QQMNAOGKSA-N 480.562 0.445 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CN(C(=O)c4ccccc4OC)C3)C[C@@H]21 1784474471 KLNLWVVYDGPVPK-GPFNJZLUSA-N 483.565 0.785 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1)NC(=O)OC(C)(C)C 1784601996 VDIKNEHWCBGZMA-JKSBSHDWSA-N 477.566 0.924 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1785608913 FHGWYNMSFPDHBF-UUOWRZLLSA-N 485.541 0.770 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1786570156 ZZUNJYKEOOZIBX-ATIWLJMLSA-N 464.563 0.714 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn(-c4ccccc4)c4c3COC4)[C@H]2C1 1787259846 HJJAJLJOPTZHTI-KNBMTAEXSA-N 464.478 0.584 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1788631540 MMPLDYQCAUKIBS-NLEPDTAZSA-N 476.599 0.467 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 1788658921 QDXGNPKYRBOQPE-MDOCNXNBSA-N 456.503 0.852 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)cn1 1789344169 UNBWJTHBJFKRHE-QRFRQXIXSA-N 471.539 0.733 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1nn[nH]c1C(F)(F)F 1789359406 KYFONTVAUHTALK-RNLPRKSYSA-N 474.440 0.946 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1)[C@H]1SC(=N)NC1=O 1790326947 AQXUBAAWLPEZNS-RLBJMNPOSA-N 495.565 0.830 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]21 1792255357 JEJPBPRCGVXCQC-ATIWLJMLSA-N 464.563 0.394 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1792793909 LZIGBZVTTRPXBC-KXJCHZFLSA-N 482.603 0.542 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1793347521 FHQJYFFCRWXBDW-VBRUWADQSA-N 472.542 0.250 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(O)C(F)(F)F 1793698324 GDYSWSSEEYUTQX-UPYQZRRNSA-N 477.480 0.806 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)=NO2)C1 1795420591 KZAYVWFCSYZRER-JLVBRIDZSA-N 461.519 0.646 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2 1795598065 BKCBERKPAJSGSU-KAOXLYBCSA-N 483.613 0.759 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797740086 UBVYYNKUUCTNNH-ZJCHSGNISA-N 451.568 0.961 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1799232902 IIZNGDTXOCEZML-YVSFHVDLSA-N 461.519 0.970 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1799233378 WIJIABHUKHXEPR-SFNKJDCFSA-N 485.603 0.317 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCc3ccc(O)nn3)c2c1 1800179682 PAGNZYNCYZSQSL-USGNIVHTSA-N 461.482 0.766 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1802159845 PMYJWNBHXKDUIH-KYHPRHEASA-N 480.566 0.222 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803919338 OJWGGSKZXOZXBK-JPYJTQIMSA-N 468.510 0.912 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)ccc1F 1808549616 NOTCZACFKQZERD-GAJHUEQPSA-N 478.484 0.893 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810362204 YURADFUGWRKRNZ-PKXVKHKKSA-N 475.546 0.768 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@H]3CCc4nc(NC(=O)CC[C@@H](N)C(N)=O)sc4C3)c2c1 1815066761 NEMDEENKIKKVHO-WCQYABFASA-N 466.527 0.710 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1819706107 KGQKOIILUFVDEW-BBRMVZONSA-N 470.617 0.359 30 20 JCED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)sc2C1 1821151203 JKDGWROSNBNGKZ-GFCCVEGCSA-N 482.547 0.980 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1 1828921545 YIAOBXZHWVBNBI-HSZRJFAPSA-N 488.566 0.787 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C(O)O)C3)C2)c1 1829179583 QVESNJQBNRPYSJ-HSZRJFAPSA-N 467.482 0.263 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCN2C(=O)OCc1ccccc1 1829246876 HTEJAXTUXWGYNU-WZONZLPQSA-N 450.499 0.924 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)cc1 1829635434 HPBJIFDSWSCCMU-QFIPXVFZSA-N 470.555 0.858 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)C)C(C)C)C2)C1 1829765144 IIZIFXXCHHTIFU-OENHHBGDSA-N 450.580 0.324 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1829776421 APUYPRQSCVCUJU-LAUBAEHRSA-N 459.609 0.763 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1829845669 FXGOFGMUVVASBD-URXFXBBRSA-N 456.543 0.862 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)cc1 1829902619 URRWWLYJSMMLEC-WIOPSUGQSA-N 463.538 0.522 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487784 JOVSMSWXYBCGOR-QFIPXVFZSA-N 463.619 0.591 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1831999754 BVIFYXWEFRBQCC-VGOFRKELSA-N 463.535 0.949 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1832000452 PPHANHHIBKQWIM-DNEJYPSXSA-N 494.589 0.952 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)CCO2)C1 1832353491 FUXFYXLFUMEUGZ-SPLOXXLWSA-N 483.974 0.840 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1832456673 UWJLFUQJPSFNKX-QHCPKHFHSA-N 498.565 0.560 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1832458591 RVGNIYKMPGBLRJ-NRFANRHFSA-N 452.621 0.142 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832881257 JZFQODQNNFCOCG-HXUWFJFHSA-N 454.474 0.802 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccc(OC)nn3)CC2)CC1 1833074987 KOEIMPVJMDLRBN-WAYWQWQTSA-N 456.547 0.529 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)n(C)n4)CCO3)C2)c(O)n1 1833404127 LWXLJRMKTRUUCU-QHCPKHFHSA-N 471.514 0.729 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C(=O)O)ncn4)CCO3)C2)c1 1833497232 GCTAKECPFYXXDP-QFIPXVFZSA-N 469.429 0.569 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833568703 ODTBKSBZOISVHN-OAQYLSRUSA-N 464.498 0.134 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834676246 ZDHITNQGFTZWDD-SFHVURJKSA-N 479.626 0.510 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102327 LBNPVBBBFYVHDO-HYBUGGRVSA-N 473.526 0.338 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835133905 KKDVGUDOCDGWPG-UHFFFAOYSA-N 465.510 0.439 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1835247184 KIRJVQXARQCGJA-FDDCHVKYSA-N 483.562 0.022 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835342689 KPTIKQCIRDQWCW-JOCHJYFZSA-N 461.540 0.393 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1835732077 LSUAFYMZWAEQRR-BUVRLJJBSA-N 474.566 0.835 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c1Cl 1836129302 WFQJABYFJJWHKZ-IBGZPJMESA-N 474.993 0.990 30 20 JCED CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837243070 NWBAHWLWUGTYMM-PVAZPRTOSA-N 477.583 0.724 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)n1ccccc1=O 1837531108 CZHJSBZDIKGQQA-QZHPGNLSSA-N 476.530 0.395 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559843 AXMWWELVTZEKQE-MJTYOFFASA-N 494.545 0.041 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncon1)CCO2)NC(=O)OC(C)(C)C 1838324960 ULTOEMUBMPVQHX-OPAMFIHVSA-N 479.534 0.999 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838426840 GGPHWKGOLSIAFK-QFIPXVFZSA-N 457.487 0.309 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1838642594 ZASAYMCYWCHUHP-UHFFFAOYSA-N 458.577 0.929 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)cc1O)CCO2 1838886914 VTRKEWVZECSPMZ-KSEXMQBYSA-N 459.499 0.329 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COCCO)CCO3)C2)c(C(F)(F)F)n1 1839193836 AVMDYMJZQXWXEF-IBGZPJMESA-N 472.420 0.051 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839486069 KOLGYJPQPRSTCU-XLQQFJOYSA-N 478.509 0.363 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4cccnc4nc2O)CCO3)c1 1839513970 NUVREWYKSKNKMY-QHCPKHFHSA-N 462.466 0.919 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840165672 GQVHXENLWZITCJ-LYLBAIIYSA-N 467.563 0.648 30 20 JCED COc1ccc(COCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1840253270 ASHAJBRGDHIJTM-RUZDIDTESA-N 488.585 0.950 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840840627 GOBMFAKTPPBEAP-HTAPYJJXSA-N 453.536 0.132 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1840956351 PYKMPIGCXOBLKW-QHCPKHFHSA-N 493.605 0.782 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1847081355 WQYXJDCODPKHBB-UZUQRXQVSA-N 496.630 0.390 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1847265126 NKFVCKJFWZZEAZ-LUNNPTDRSA-N 489.573 0.126 30 20 JCED Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cscn3)c2=O)c1C 497561617 KFRGGQOMKYIMLX-UHFFFAOYSA-N 495.630 0.924 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(OC)nc1 524023058 KCJZDPLLYFZCKP-UHFFFAOYSA-N 454.483 0.707 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 588156714 SZCLMPKIWHMZIN-UHFFFAOYSA-N 474.589 0.790 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cc1C 589759447 PLPXANSEZPZZQY-UHFFFAOYSA-N 484.622 0.834 30 20 JCED CC(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCN(C)CC1 603806499 VAOHAMVMXVKJCT-NRFANRHFSA-N 462.620 0.846 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 604508426 KESMMVIUBRSLAU-UHFFFAOYSA-N 462.478 0.381 30 20 JCED N#CCCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 608910899 VUOKRDJWOBGHMF-UHFFFAOYSA-N 479.562 0.640 30 20 JCED COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)cc2c1OCCO2 726575036 DLRXOYBBVWOHLT-UHFFFAOYSA-N 460.471 0.804 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C#N)c(Cl)c3)c2=O)cn1 726576947 GBYCCQOSPNFMJC-UHFFFAOYSA-N 480.937 0.519 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 726869845 XUBLDYXCPITFKI-AEFFLSMTSA-N 463.604 0.988 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1 728570903 OXBMAAAYGAKGKM-UHFFFAOYSA-N 472.542 0.964 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)cc1F 729672924 OSPSFQFPDHSCRV-UHFFFAOYSA-N 452.529 0.830 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1=O 917471902 PGFIAQUDRDWLCF-UHFFFAOYSA-N 457.506 0.669 30 20 JCED C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)N1CCOCC1 1303701140 VBKRQRNVTPCFSV-GOSISDBHSA-N 453.547 0.832 30 20 JCED CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1314560590 QWUGWSVZZWZUJN-HNNXBMFYSA-N 459.580 0.862 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1315065933 XEPDZXMFXCBALA-IBGZPJMESA-N 473.603 0.915 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1 1472497340 ISPZSVNDQBSKDK-UHFFFAOYSA-N 456.528 0.087 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1504912254 ZXPXKISVMCBQNP-UHFFFAOYSA-N 459.576 0.621 30 20 JCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)F)CCO1 1505322224 KMJGDQDOGMLXNW-GJZGRUSLSA-N 468.486 0.996 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)F)CCO1 1505322225 KMJGDQDOGMLXNW-HUUCEWRRSA-N 468.486 0.996 30 20 JCED Cn1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1 1517426627 QFHDAVOJTMOQCI-CQSZACIVSA-N 460.424 0.893 30 20 JCED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)C1 1521063259 PFBKCSQMCVLTKJ-UWJYYQICSA-N 460.535 0.981 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1541935765 SEBHSBOAVLATEA-RHSMWYFYSA-N 458.610 0.843 30 20 JCED CCCNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1614953418 KIJRPUMEGFKNJJ-UHFFFAOYSA-N 453.551 0.926 30 20 JCED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617714975 OEJHMCAMCNATAT-LJQANCHMSA-N 484.586 0.797 30 20 JCED CS(=O)(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1698304070 IGBOZJSBEKFYGT-INIZCTEOSA-N 458.548 0.257 30 20 JCED CC(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723722463 HHXDAURYPLDRPF-QZTJIDSGSA-N 467.596 0.213 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)CC1 1728666707 WMDRGAROEHRCOQ-UHFFFAOYSA-N 474.591 0.014 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 1741133215 PFRMPYUZDCRWQT-RDJZCZTQSA-N 467.596 0.656 30 20 JCED C[C@@H]1CCCN(C(C)(C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1752136862 XJRLHZBWOKNALC-QRVBRYPASA-N 495.650 0.850 30 20 JCED COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCC1 1769323001 ANNIAYUUIPUIJN-NVXWUHKLSA-N 451.597 0.882 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1771369010 JGTYIVYADKXRHS-IBGZPJMESA-N 489.602 0.436 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc6n(n5)CCCNC6=O)C4)C3)c2c1 1778383319 LAXQVRDXUBUFJK-DEOSSOPVSA-N 488.508 0.522 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)C1 1779001875 JXZKEVRJCQPAJT-MZNJEOGPSA-N 473.526 0.997 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1779021126 GQLCGTDWAHRJFP-UKKLRFBMSA-N 460.491 0.058 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779344260 PXPGLJZJURNEMG-RVUOGAPUSA-N 461.519 0.898 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1779402432 OADJRGWXLGRKDP-PQNGQFLHSA-N 492.569 0.694 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779440111 NIDDQSRHDIKKIH-GJNHJQHYSA-N 453.561 0.893 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CCO3)c1 1780600657 QACFZYZPTOWMSY-XLNZFTOWSA-N 497.577 0.182 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1781289814 BRBJHKZGYDQYKJ-SAHWJRBASA-N 481.594 0.269 30 20 JCED O=C(Cn1ccncc1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1781485254 KWMXZKNIKVEFES-PTQKAELMSA-N 461.519 0.286 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(C)=O)C1 1781789199 XADHTVAGBADOGW-IYBGNGRRSA-N 478.590 0.942 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(=O)n5[nH]nnc5n4)CCO3)C2)c(Cl)c1 1781967876 AGVBUMRFEHOVQU-HXUWFJFHSA-N 468.861 0.095 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010722 CKTLOKVTPXONDD-AQWIKTBWSA-N 493.557 0.613 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783291302 URQJVOLIQYBMAX-XCGNWRKASA-N 465.551 0.085 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C[C@@H]21 1784482018 BAESNHQOZMJUTJ-IWFBPKFRSA-N 496.568 0.198 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)n4[nH]nnc4n2)CCO3)c1 1785080173 SLHYDHNSOMQCIP-PEBXRYMYSA-N 462.470 0.197 30 20 JCED COCCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1785379062 HFHIDMGYLWBBMP-HSZRJFAPSA-N 453.499 0.924 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)C2)C1 1785478072 MBTNIGRZFCHECE-POUSAUBHSA-N 476.574 0.932 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]4C3)CC2)CC1 1786859581 QUTLQSMTHKQDLH-UFYCRDLUSA-N 460.623 0.028 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3C2)cc(C(F)(F)F)c1 1786890334 DOYRLMDXTVXRQP-RUGDWHBFSA-N 481.475 0.763 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CCC4)C[C@@H]32)cn1 1787250634 QPBBCJZMRGAFGR-WDSOQIARSA-N 460.556 0.913 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cnn2cccnc12 1788292049 JEKAHKMRTDJRJG-CTLPRUSGSA-N 456.503 0.852 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1788575062 BAONOAPOCSWQTK-VIQHNZTISA-N 455.552 0.382 30 20 JCED CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2C1)C(=O)C(=O)O 1789271176 IQKMBIQJGHJIIC-BPUTZDHNSA-N 462.890 0.348 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789346683 XEKWNRXDQGVLPC-LAQRGFTBSA-N 488.545 0.248 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1789510478 QIYIEEJOKLRLBP-IYXGVVJKSA-N 455.540 0.954 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790326942 AKVUKFNKUJYZND-SCNOPHJPSA-N 453.503 0.475 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327501 NEPLOVTTYDPRNU-CJCBUOBESA-N 467.530 0.735 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC)NC(=O)OC(C)(C)C 1793321802 PEBRSKRKLBOEND-AXVVYFOYSA-N 487.619 0.870 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 1793347951 REJULWULDUPWLN-VKPOMUGMSA-N 491.585 0.496 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793419009 DEWSDNXDSFNOKI-UJMXGEILSA-N 486.525 0.556 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc4ncnn4c3)c2c1 1797559892 FFJSOYDPTFIHIA-CWPLJXCYSA-N 456.466 0.994 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1797712221 VUBAYIVGKAOXKR-WOUAJJJCSA-N 460.527 0.612 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O 1797968166 MBTGHUJUZYRYNE-UJMXGEILSA-N 496.605 0.587 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2 1799334460 DBHOSRZJUMZAGH-QNDFHXLGSA-N 472.542 0.582 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@@H](N)C(N)=O)C3)cc(C(F)(F)F)c1 1799784743 LLVAEHGJKFSAAE-CXHZTBPHSA-N 467.448 0.373 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nsnc1NC)C2 1802125215 QKTYKZPORXAPNH-LXTVHRRPSA-N 478.575 0.700 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)[C@H]1c1cccnc1 1804112334 QSIYEPFFCRJHHF-IEGUWTFLSA-N 452.511 0.967 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1807144316 XCJOLCGPBSBUSA-PGRDOPGGSA-N 466.542 0.684 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)[C@@H]1c1cccnc1 1807148929 BBLARLPEONBWQK-XTQVGHSUSA-N 459.547 0.985 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2(N3CCN(C)CC3)CC2)[C@H]1c1cccnc1 1807936123 CPUGRJRWNWNMFQ-BAGYTPMASA-N 453.587 0.906 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[C@H]1c1cccnc1 1809451590 BQOUDELDFSHMTK-MGPUTAFESA-N 485.460 0.373 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1811408909 BGIAGJXWHCKWIQ-HYBUGGRVSA-N 481.553 0.568 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC2(O)CCCCC2)CC3)CC1 1818895743 ZWJNGAPOPCWSAJ-GOSISDBHSA-N 487.626 0.918 30 20 JCED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)c1 1823667841 SURVAZGAVCUPME-SNVBAGLBSA-N 479.457 0.819 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)O)C2)C1 1828584151 WYWPKDOGBSZKAQ-XLNZFTOWSA-N 457.527 0.858 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCNC3=N)C2)C1 1828805709 BCYKGZCOICGREO-HSZRJFAPSA-N 467.530 0.192 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1828925211 ONRJZIGZMCTRQF-MZLICYQSSA-N 469.542 0.465 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3c(C)noc3C)C2)C1 1829764804 WGGDJRFXSWRSGZ-RNPAOAGASA-N 460.531 0.539 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc4ccccc34)C2)C1 1829766348 TWIDWQDRDPIQJU-UTBBOMKLSA-N 480.521 0.869 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13COC[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1829846525 VRGIKBOMQHPYCO-LQGLAIQGSA-N 491.585 0.740 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1830353352 YZVSDROQLPHHPU-KNPBPUNLSA-N 489.569 0.213 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)c1 1830461366 FBVQHCZJTHXZRA-RUZDIDTESA-N 477.521 0.981 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCOC2=O)CCO3)c1 1831013396 QINDFIGJNYMXOG-QHCPKHFHSA-N 456.499 0.399 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831277176 ZIQSKHJZUUTYEK-UZUQRXQVSA-N 482.578 0.438 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831466188 OJWDEDNNXXFEMB-XMMPIXPASA-N 456.543 0.862 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(C)[nH]2)CCO3)c(C#N)c1 1831857967 PYRGDGCPFLNEFF-QHCPKHFHSA-N 453.499 0.911 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4noc(C)n4)CCO3)C2)c(C#N)c1 1832930556 JLOUMALBUMKQRF-QHCPKHFHSA-N 469.498 0.500 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c(O)n1 1833699914 HRABNIRRTFOFMR-JOCHJYFZSA-N 486.485 0.921 30 20 JCED COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1833767133 SUXCBHNJISANOJ-DEOSSOPVSA-N 457.527 0.859 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833787175 ATSKYICTOSQEFR-KRMBDEGVSA-N 467.910 0.729 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncnn2C)CCO3)c(C#N)c1 1833843897 GSCGJFZXIPRHSU-QFIPXVFZSA-N 454.487 0.008 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834330497 OPWBABMSLILSCC-GAZXMLTASA-N 489.573 0.960 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835381554 SDWRXFVHCVBNAC-MBSDFSHPSA-N 468.595 0.864 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1Cl 1835410623 KBJDGHAZVWZMRF-JOCHJYFZSA-N 460.918 0.904 30 20 JCED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)CC1 1835482022 XIEGSRNYCIZYCG-HWEDYNCSSA-N 478.638 0.334 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCO4)CC2)CC1 1835567772 VLBDMPALQLUALY-PLNGDYQASA-N 470.574 0.709 30 20 JCED CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835681076 PKBDZQZPAYJLFV-RUZDIDTESA-N 485.585 0.740 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3ccnnc3O)CC2)CC1 1835769505 VRFGFDRLENXCSZ-UDIPQKBFSA-N 460.535 0.896 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2)NC(=O)OC(C)(C)C 1836141181 ADUMNSDJIGSVNU-FDDCHVKYSA-N 492.577 0.594 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(OC)c3F)CCO2)C1 1836237159 KEDUBEDKMILSRD-KSFYIVLOSA-N 451.495 0.872 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2[nH]nnc2C)CCO3)c(C#N)c1 1836302463 AQOOEXYUANMWHX-JOCHJYFZSA-N 454.487 0.306 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1837397232 UDEPEFYUEAXANZ-QZTZHPFYSA-N 499.605 0.556 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837491577 PNZFMFMUCMSBBX-XMMPIXPASA-N 467.526 0.498 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1837492138 BJEYNRPAXKDZOV-WNCULLNHSA-N 494.592 0.908 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc1 1837527249 ZNGQNMIDAOULLO-QUWONWARSA-N 491.541 0.714 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529704 BXFSUZYQNNWLJU-YCZYPVKCSA-N 498.577 0.885 30 20 JCED Cc1nn2cc(CC(=O)N3CCOC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)nc2s1 1837559724 CSEGNSMQNMYXEN-DBNSOCDESA-N 486.554 0.810 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1837606407 SHYYSIZNRXGNDO-UUOWRZLLSA-N 471.558 0.820 30 20 JCED COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)c(C#N)c1 1837882379 YZVGBKJZLXLLBR-QFIPXVFZSA-N 485.585 0.701 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccncc3)[nH]n1)CCO2 1838009948 XAQLFTRLBMJUAI-YJMIJIGASA-N 480.525 0.400 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838319608 ADBUIFSXVZVRMB-HXOBKFHXSA-N 491.545 0.836 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838401950 CWNWMQGVBHTNDW-QVDLLNTASA-N 482.578 0.165 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C3)C2)c1 1838579147 CWAZAALXTIRSNT-OPAMFIHVSA-N 479.555 0.318 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838582367 LMIOTRXXINNOOB-QMHKHESXSA-N 473.530 0.344 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)c1 1838583656 KHYVNHKXUPEHFI-DEOSSOPVSA-N 470.526 0.649 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1839173426 PCKQUXKDUFSQJF-NRFANRHFSA-N 453.442 0.939 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1839185526 FFGNEKVEYZRURJ-YADARESESA-N 496.605 0.829 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421890 QXNJKTBKYJRNMW-JPYJTQIMSA-N 492.504 0.610 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2C[C@@]24C(=O)Nc2ccccc24)CCO3)c1 1840017240 DBOYPCYKFWPUFW-YWWLGCSWSA-N 475.505 0.866 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)CCO2)C1 1840048016 OQVQYSSZKGNFDA-SNCIRPARSA-N 499.630 0.520 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/OCC)CCO2)C1 1840312147 NVBZQBGYAKNTQE-XVYIGEKPSA-N 465.547 0.910 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C(C)=C/c1cccnc1)CCO2 1840411869 IWXDAJCYMDFQJR-MZUYNVLQSA-N 454.527 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)c(O)c(C)c1)CCO2 1840674070 ASKFBHOJGYPEIV-VRWDYKOXSA-N 457.527 0.937 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1 1840712481 LDZFMALIHPDIMI-UZUQRXQVSA-N 456.499 0.836 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1840795949 LCANBSGVNPMQQN-YZZKKUAISA-N 482.578 0.437 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1840840595 WXBZEVSJRCCGOS-WZONZLPQSA-N 459.568 0.966 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(C)C)C2)C1 1840906692 HFMSCBZDUJJHOO-MBSDFSHPSA-N 467.563 0.784 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)C3(O)CCC3)C2)C1 1840906903 LFGYIYXOKJAFQZ-IMWIBFENSA-N 493.601 0.911 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1840909612 XXCBBXONCMEATA-DVECYGJZSA-N 489.573 0.565 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](CC)NC)C2 1844215427 FGRKIVZKWMLTGU-IAGOWNOFSA-N 481.594 0.993 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1845440320 CUDCESLPIDUEHY-HZPDHXFCSA-N 480.562 0.950 30 20 JCED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)ccc1Br 1845457870 OJDRBLXNYLHAKU-UHFFFAOYSA-N 460.288 0.690 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1 18038935 QTFSHOBJPBSWQO-UHFFFAOYSA-N 468.582 0.821 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 514645721 OILBMTUXBNOWDV-UHFFFAOYSA-N 487.578 0.715 30 20 JCED COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc1C 608910774 MWRKWJHQUAOGPL-UHFFFAOYSA-N 485.562 0.682 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(Cl)cc2)c1=O 608912901 JBEBZPOIIZDRJK-UHFFFAOYSA-N 495.026 0.674 30 20 JCED COc1cc([C@H](C#N)NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC 609006979 ZVLVVTQXQVTSHW-ZDUSSCGKSA-N 456.459 0.231 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1=O 726043837 SUQDQKHHSIPSAA-CYBMUJFWSA-N 480.499 0.220 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCS(C)(=O)=O 729672871 MIMOOSLNZNKCRX-UHFFFAOYSA-N 463.537 0.981 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(OC)c2Cl)c1=O 730439832 CNCFHRZGRUWFNL-UHFFFAOYSA-N 493.969 0.589 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1OC 916922971 HNLVKYNURHELJJ-IXDOHACOSA-N 477.539 0.107 30 20 JCED CC(=O)NCC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918274841 YWNOZOCMAUICFR-CLCOLTQESA-N 463.560 0.813 30 20 JCED CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C[C@H](O)CN1CCOCC1 1191477169 VJEVTZFIAOANBI-OALUTQOASA-N 459.591 0.981 30 20 JCED CC(C)N(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1303297888 UYPXNUZYPZYXTL-ROUUACIJSA-N 469.612 0.459 30 20 JCED CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1515793997 XKVAAAIEVHPAPZ-HNNXBMFYSA-N 455.548 0.947 30 20 JCED C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1539766957 ZZEXPPJUPGYOJY-GOSISDBHSA-N 475.619 0.812 30 20 JCED CNC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1554480674 RJHISRSXFDQSJL-SFHVURJKSA-N 486.602 0.508 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1613028553 MISVMVWOYRHVGS-KNBMTAEXSA-N 468.580 0.281 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1620169355 NZTCKCNFULWEQS-KUHUBIRLSA-N 462.511 0.791 30 20 JCED CS(=O)(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1620178163 ZDZWOZQTCHKKLN-QGZVFWFLSA-N 460.564 0.662 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 1637213428 ACNPXQRWFGVTMO-AWEZNQCLSA-N 454.574 0.436 30 20 JCED CN1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1(C)C 1696884214 RKNOMJYLKHEDDV-UHFFFAOYSA-N 487.630 0.990 30 20 JCED CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1727357504 XIUXDEDELBYOJE-IAGOWNOFSA-N 468.580 0.547 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778708121 IDXMGDLGXRWAEU-HSZRJFAPSA-N 453.499 0.547 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2 1781692140 ADKJHOQPWLUKMW-YGKZAACZSA-N 465.547 0.980 30 20 JCED CCOc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cnc2c1cnn2C 1782010624 QIBIQXNNOMULAD-UZUQRXQVSA-N 469.498 0.583 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 1783435345 SYDAELZTFYJKGO-OTWYLLFQSA-N 456.499 0.975 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(O)nc4O)C[C@@H]32)cc1 1783441035 LHZMLHBZMMEHAE-WDSOQIARSA-N 451.483 0.986 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CC)CCO2 1783883229 GCPRWDBAYPBVRQ-YGKZAACZSA-N 498.577 0.393 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785034236 VQLUZPOEJNYJKR-YRPNKDGESA-N 453.605 0.465 30 20 JCED O=C(CNC(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1785336319 OLEITGWKKUKCLV-WCSKPKODSA-N 478.571 0.987 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1785572754 PLBGQQYPKSCJLW-MZNJEOGPSA-N 487.557 0.747 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)NCC)CCO2)C1 1785596381 QKIPLCXWCLUSKX-JSMQRPJFSA-N 493.605 0.993 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786743414 HWMZDPQXIGBXDA-VJANTYMQSA-N 478.590 0.751 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787504621 RZQBZLSVELHVDR-FHWLQOOXSA-N 457.593 0.375 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)[C@@H](O)C1 1788250556 SJQWQNKGGLVGNJ-BRHFBXIFSA-N 493.557 0.062 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCCNC5=O)[C@H]3C2)cc1 1788255601 WEQKQPHSAHODRO-WFXMLNOXSA-N 462.510 0.795 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)[C@H]2C1 1789260878 SBRUQSLXUITHBP-IVENPTRMSA-N 482.537 0.858 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079374 MYCKYLPGSCICFB-WOYTXXSLSA-N 467.494 0.402 30 20 JCED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791445913 CFRCTCDQDYCTPQ-VJANTYMQSA-N 478.590 0.928 30 20 JCED CC(C)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1ncc(Br)cn1 1793125173 WBPAUMYMQABKOI-DRXBFXEBSA-N 465.304 0.194 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1797713983 FEYKXNXVJLCFAR-WXJALIKYSA-N 481.590 0.377 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1799389680 MEXGLLVBUGWWGK-XVMXLUHGSA-N 496.605 0.995 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(c2ccccc2)=NN1 1800154753 BVSSQSNPIYJKBG-TWWGPRNNSA-N 454.527 0.852 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c(C(=O)OCC)ncn2C1 1800324624 ITUQWMACMQJTMS-YFYQMDMQSA-N 472.542 0.250 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c1 1801762716 LUWGIJXHGAAGLS-NYYTWLDWSA-N 483.550 0.982 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801993438 UJFFQQMTNWMRMH-XMTFNYHQSA-N 475.542 0.986 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1802198500 OVWSYTYVCPLORS-BJWYYQGGSA-N 481.569 0.817 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1804346310 MRIFMGIJLVUOBL-JOJPZAKESA-N 472.502 0.215 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1804405680 NDRJSWDOTAFUTQ-IJUZYZCRSA-N 498.544 0.534 30 20 JCED CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1)C(=O)O 1807206259 USXHWQIVRVMNFD-VWGXHTLUSA-N 461.519 0.679 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1810332232 UVJXZYSBJQBEID-PGRDOPGGSA-N 467.526 0.338 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1812873198 KVNFYEYUPGFECT-GWJPWWOOSA-N 498.561 0.851 30 20 JCED CC(C)n1nc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1C(=O)O 1812873464 BSCVQDFYYYNABL-FOIQADDNSA-N 453.455 0.965 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814972807 OVKYWWYJFGDNBF-OLZOCXBDSA-N 470.621 0.665 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1819844007 PPZJYGBMSOEKQX-GFCCVEGCSA-N 482.526 0.194 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)C#CC4(O)CCCCC4)sc3C2)CC1 1819846371 PESXVRDWXMCEEY-SFHVURJKSA-N 487.626 0.918 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)CNCP(=O)(O)O)CC2 1819899260 SUCYFKQFOAEFMO-RYUKKXEOSA-N 475.464 0.309 30 20 JCED CN(CC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1)C(=O)C(=O)O 1819908580 WCTGUQCIWSBJIE-GDWIWIMNSA-N 467.504 0.127 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829371997 XRLBBUBFPRUKBX-DVECYGJZSA-N 467.526 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1829768536 AQRIHUXSRBIOMU-FBQMEGEOSA-N 451.911 0.002 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830299945 HXHRTVFIMSHBHU-SBUREZEXSA-N 481.594 0.638 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)C1 1830708708 JORVHRCJMKDEMW-PMAPCBKXSA-N 464.563 0.314 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2)C1 1831136539 JFDZSRMMOAZMHM-IERDGZPVSA-N 475.608 0.693 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1)NC(=O)OC(C)(C)C 1831280795 JFCLRRAUULXRIF-SBUREZEXSA-N 482.578 0.438 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3C)C2)C1 1831388628 ZRYAMLOAQMRXOC-WPWBMXPQSA-N 455.555 0.538 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1831419527 NGZNUSZUQIZPSH-STSQHVNTSA-N 485.578 0.310 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1831434705 FTOIOOWGYFUQRI-JPYJTQIMSA-N 455.515 0.928 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831445183 WBTAGCHTNLYCDL-SWHKHVPSSA-N 453.517 0.061 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832530879 JKCFUWUDFOHVFX-IQGLISFBSA-N 485.537 0.720 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(O)cn3)CC2)CC1 1833076363 YJWFUOCGRVIKJS-WAYWQWQTSA-N 455.559 0.760 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833572520 MDUDJEPQNPQCKC-YWZLYKJASA-N 453.471 0.653 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833651049 IYSRELKNRCIGLA-WZONZLPQSA-N 453.499 0.376 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1N(C)C)CCO2 1833665480 SYAOPVUROGUBJJ-QHCPKHFHSA-N 460.531 0.727 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Cn4cncn4)C3)C2)c(O)n1 1833699946 IQIAFOSCEWZDMG-UUOWRZLLSA-N 484.557 0.904 30 20 JCED Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)c1F 1833711267 DAXXMPBWPPGJGE-HSZRJFAPSA-N 471.489 0.888 30 20 JCED COCCOCCOCCOCC(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834607543 XOWOBBVFIKEMNU-UHFFFAOYSA-N 468.595 0.558 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)Cn4ccnn4)CC3)CC2)c(C#N)c1 1834897778 QWIDIUFRJIRHDH-UHFFFAOYSA-N 465.558 0.973 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1)NC(=O)OC(C)(C)C 1835517041 QEWIDXHKOYLDML-OPAMFIHVSA-N 499.634 0.929 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835920649 AVNOGTAHOGBLFX-QFIPXVFZSA-N 456.503 0.256 30 20 JCED COC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1836520786 RPNHRENMCZUPLR-DPZZJQGRSA-N 451.501 0.299 30 20 JCED CCn1nc(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489500 JQYYNBAUPVNXKR-DEOSSOPVSA-N 458.559 0.980 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493450 GCENJQAWRPJJBH-HYBUGGRVSA-N 458.559 0.674 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837646714 AUAZVYSMZITVNJ-UZUQRXQVSA-N 470.505 0.624 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838736857 BGCMMZONVGALRW-HSZRJFAPSA-N 473.530 0.823 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)CCO2)C1 1839080747 IIINBMHZNNKQGV-YZIUBNRHSA-N 453.605 0.798 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1839117679 BEWCJKPCWVRUDB-NSJZWROTSA-N 478.590 0.990 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)ccc1F 1839187177 NZPINEZVLREREN-FQEVSTJZSA-N 469.416 0.806 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839190893 JGIAPVXJLXDDCM-ONGXBYRLSA-N 473.592 0.445 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839844911 YCFUVEXXHPEULE-YZZKKUAISA-N 469.579 0.931 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1840029290 ZIIWHAJMMGUMRP-HOIFWPIMSA-N 453.536 0.389 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840141510 JKUOPOPNYWGUMQ-XLNZFTOWSA-N 476.574 0.480 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC[C@@H](C(=O)OC)C3)CCO2)C1 1840146873 BIETZYZSXMVMCI-YDLHNXBPSA-N 466.575 0.995 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nnc(Br)n4c3)C2)C1 1840159948 RTMBHGQNSMJSSQ-SGTLLEGYSA-N 484.376 0.880 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1)c1ccc(O)cc1 1840221945 WAUDJVTUPWMNKJ-YKSBVNFPSA-N 467.526 0.637 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1)NC(=O)OC(C)(C)C 1840796113 UXTPSVJJEJBOII-UZUQRXQVSA-N 492.577 0.745 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840843466 RJZMYXPOPAPGDA-UUOWRZLLSA-N 495.573 0.703 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840905297 GDACRBMBAZQUJB-NTKDMRAZSA-N 474.558 0.982 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1840907103 PEPJTVHZWJRUKJ-RGZWJVDOSA-N 491.541 0.686 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1 1845768826 QKRIPHLNOOWKEK-WAIKUNEKSA-N 457.531 0.916 30 20 JCED C=CCN1C(=O)C(=O)N(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCC)C1=O 498025988 LTJHUDQPMPLUBC-UHFFFAOYSA-N 475.527 0.944 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)c(C)c2)c1=O 520624531 LQSQGCARIYFPSX-UHFFFAOYSA-N 488.585 0.345 30 20 JCED CCn1cc(-n2c(=C(C#N)c3nnc4n3CCCCC4)sc(=Cc3ccnn3C)c2=O)cn1 523180657 BAXVZVUYRJLTQP-UHFFFAOYSA-N 461.555 0.718 30 20 JCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCNS(C)(=O)=O 524281203 LQWUXPWYJZEBPE-UHFFFAOYSA-N 477.608 0.976 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCNS(C)(=O)=O 589160717 MJRVYDQFWLHLLH-AWEZNQCLSA-N 463.581 0.586 30 20 JCED NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 748343374 GAOSSOKBXPGCHR-MRXNPFEDSA-N 464.544 0.695 30 20 JCED Cc1ccc(OCC(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 748645205 PTNRBUYRASGQSM-UHFFFAOYSA-N 456.524 0.783 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O 748836458 RNTZIPLBLQHVLA-HOTGVXAUSA-N 464.544 0.549 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 838231075 SJRKDHYVWOBPMY-UHFFFAOYSA-N 457.508 0.419 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)cc1 839237283 GZLDDHDYHOWQME-UHFFFAOYSA-N 451.552 0.987 30 20 JCED Cc1ccc2ncc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c(=O)n2c1 912874882 WEAQNOGMERIEMQ-UHFFFAOYSA-N 495.517 0.565 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 916659634 UTERLODKGVVFGQ-SFHVURJKSA-N 485.566 0.815 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)c1cccc(C#N)c1 916809571 GCTBZPYCNPSFII-UHFFFAOYSA-N 465.509 0.706 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 918277456 FLACDAHKYJKMCL-AKKXKAEUSA-N 470.573 0.521 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)cc1 921172304 PVXGUIOMDVQLQF-INIZCTEOSA-N 459.480 0.992 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(O)CCOCC2)C1 1288977259 LWQLXTDATCXWAX-PXNSSMCTSA-N 482.607 0.673 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 1316533446 PZTBEOBLYSNDAN-KRWDZBQOSA-N 479.463 0.928 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1516847854 RILYIEMJVWKVHO-IBGZPJMESA-N 473.603 0.915 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1617576499 WYYFGRPTURTQJF-OAQYLSRUSA-N 494.600 0.950 30 20 JCED Cc1c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)sc2ccc(C#N)cc12 1621721732 VWFFJTYGOONYTO-HZPDHXFCSA-N 455.583 0.858 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1692574065 XOCDNOULXWTFEU-OAQYLSRUSA-N 488.549 0.962 30 20 JCED CN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)CC(F)(F)F 1696816871 ULJHYGBXYOTKIY-CJNGLKHVSA-N 483.492 0.547 30 20 JCED CC(C)(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1706153290 JGLGVKOAEVWVAJ-WBVHZDCISA-N 463.608 0.662 30 20 JCED N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1750388192 LODGKHSZNDZBIC-LJQANCHMSA-N 471.543 0.900 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)CCN5CCOC5=O)C4)C3)c2c1 1778159254 ORVPBEXMALIXMY-QFIPXVFZSA-N 452.471 0.720 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779013193 FAYRVJJGMQVCNR-MISWTBGBSA-N 485.585 0.467 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779313787 MKYWJGSIZLBHCJ-XSSDXNQZSA-N 475.546 0.293 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780949820 HDMHQTZXWAEIGA-XMMPIXPASA-N 451.527 0.800 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873393 SUDDGHXYXJEAJR-HOOSLVGPSA-N 492.642 0.989 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)=NO2)C1 1783454639 BFFNTTKCOGSVSB-QFIPXVFZSA-N 473.530 0.886 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)NCc3ccccc3)C[C@@H]21 1783528047 FWSHWPCKFDSBNE-KQFKIVRJSA-N 480.565 0.697 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(CC(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)C2)C1 1783565580 ODUVGAJLMWKTIB-XMMPIXPASA-N 475.542 0.942 30 20 JCED C[C@@]1(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCN(C(=O)OCc2ccccc2)C1 1783567780 ZKJBTCJVMQJZHW-JWQCQUIFSA-N 483.521 0.953 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1788565956 YKMJRKPZSKWWBK-GWKIZSTFSA-N 471.558 0.797 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1788594117 TYDYSLRKUVAKAG-XWUOBKMESA-N 465.667 0.668 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)c1 1788601161 KWUVYBZXFSNYAL-AJGSBBHBSA-N 477.587 0.550 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)Cc5ccc(F)c(C#N)c5)[C@H]4C3)CC2)CC1 1789907090 GPJZUECNURDDPB-RRPUWOKSSA-N 483.588 1.000 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COCCO)[C@H]3C2)c(C(F)(F)F)n1 1789916721 XNGAQPXDBCEQGK-RCBQFDQVSA-N 456.421 0.574 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)[C@H]2C1 1790863229 PAPVNRARBJYUNI-RFZNHBKKSA-N 466.579 0.960 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1791544151 SNQVUNPQBVPSMM-MKFRZFLASA-N 462.551 0.238 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1792451202 HBHQIJULUPWNDG-KYHREEPGSA-N 463.575 0.997 30 20 JCED CN1CCN(c2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)cc2)CC1 1792456831 JQJCPCJCWWJLKF-IUTQVRIDSA-N 482.629 0.923 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1792780092 XFJHHVZOJRVDKG-GIECYPEWSA-N 482.537 0.468 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1793354682 JORUINMFCHCXNJ-QSNWEANLSA-N 471.558 0.202 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC=C)NC(=O)OC(C)(C)C 1793592631 NTVUTAIKTPZNEZ-QBWSZWEKSA-N 476.574 0.904 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795408341 VJAGSMBSNIWXFC-UHDSXZAQSA-N 450.536 0.808 30 20 JCED CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)nc2C(F)(F)F)CC1 1795994668 UULMKPMJOUDWTM-CCWDJLKJSA-N 480.491 0.423 30 20 JCED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1)c1cc(=O)n2[nH]nnc2n1 1796894710 XQXWAHQTJAOBSW-XGHSUDEFSA-N 453.484 0.565 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1)C(C)(C)S 1797152384 KODBPLCJSMGJBL-KOWPAETKSA-N 471.620 0.949 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 1797368629 WBZBFKIAZWPSLT-NBMJBFSESA-N 482.541 0.849 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1797713012 AVQCBTDACYZCEN-XSEPRYCASA-N 495.617 0.767 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1797815177 KZDWQIJZYAOQMC-UJIKITHMSA-N 452.508 0.634 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798635067 WIWXBRDPWPVVKT-CLWJZODNSA-N 487.557 0.670 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)C3(CCOCC3)c3ccccc32)CC1 1799070490 PLGHRKGZMPYGBH-OPMZPASUSA-N 478.549 0.975 30 20 JCED C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236487 PIUJQMJWUJSFCH-FJIDUMEYSA-N 477.562 0.251 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)ccc1F 1799325935 ZYDNYYQAZVVOEM-YVWYUNDQSA-N 487.513 0.295 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799748824 AUVCIBDIRCLJQY-CSHUHZATSA-N 462.478 0.744 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12)N1CCN(C)CC1 1799884436 JPUKAALULDZUOD-LAVAIGHBSA-N 465.558 0.274 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c(C(=O)OCC)ncn2C1 1800325872 UHCGDSOEVKEEEE-NAQNXIHYSA-N 499.568 0.070 30 20 JCED C[C@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CN1C(=O)OC(C)(C)C 1800778580 IQYKWSUWZZFOBR-PHSQPZKOSA-N 463.531 0.700 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 1802026579 YCLMSYRAABJMNK-XVAUXIKLSA-N 477.583 0.666 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1802148113 SBZWYKIRRLPVIZ-DFGXFYAUSA-N 450.536 0.311 30 20 JCED O=C(C/N=C/c1ccco1)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806699241 IAIFXZBKBIBOJU-HZHRSRAPSA-N 464.588 0.660 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)N2CCN(C)CC2)[C@@H]1c1cccnc1 1807852544 LIHOOUWNPCXKFO-XUOZLJLTSA-N 468.602 0.582 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2c2cccnc2)c(C(F)(F)F)n1 1808261750 OCGLTLODMPCNQW-RRQGHBQHSA-N 461.448 0.973 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808820610 PWFSJAFQLYVIMT-YKSBVNFPSA-N 491.541 0.262 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@@H]2c2cccnc2)ccc1F 1810351362 KBZIYVMIVPYPPD-VPHKFGTKSA-N 481.528 0.991 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc[nH]1)CCN2C(=O)OCc1ccccc1 1828702780 BNQJHUFLJCHRKP-HSZRJFAPSA-N 465.466 0.563 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnoc1)CCN2C(=O)OCc1ccccc1 1829064083 IMLSMPYKHFFVTC-HSZRJFAPSA-N 466.450 0.828 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)[C@H]4CNC(=O)C4)CCN3C(=O)OCc3ccccc3)C2)CC1 1829310042 OYKPZZNSEIGCFK-KBMIEXCESA-N 479.537 0.878 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(=O)C3CC3)C2)C1 1829330852 SNTBKTBXBPQUMT-DEOSSOPVSA-N 467.478 0.506 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 1829618913 CQVAFNSAIDBWKB-FUMRIQNTSA-N 472.498 0.452 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3OCC)C2)C1 1829759531 GLHCQMXZFJXSNR-YLNCNTMDSA-N 458.515 0.409 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(F)ccc(F)c3F)C2)C1 1829763023 YMWUOUYYDWMXRH-UZQCKINESA-N 481.471 0.961 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1831485489 VPTNPUMMUHQWJN-IAQYHMDHSA-N 460.446 0.752 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1832454436 NXVGAFFCZNDTJH-OYHNWAKOSA-N 478.571 0.368 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833027316 JKNHZBVWPHQXLG-IERDGZPVSA-N 451.545 0.525 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1c(C)noc1C)CCO2 1833060580 MXAJIEKTCWBEEX-RNPAOAGASA-N 460.531 0.539 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1833314436 HNHBXKYVUYPSLJ-HSZRJFAPSA-N 467.457 0.575 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)c1 1833399826 GLVZYEZXXMNMJE-HSZRJFAPSA-N 484.534 0.741 30 20 JCED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767612 MHWFUQSKMVEJKE-YWZLYKJASA-N 456.565 0.613 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835644236 VAASHSXWSUJZOI-VGSWGCGISA-N 452.552 0.098 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1835678138 ZMCDVBDDZXCBNG-NRFANRHFSA-N 451.474 0.712 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(NC(=O)OCc3ccccc3)CC1)CCO2 1836689345 UQRXFIZBOXSUEA-NBGIEHNGSA-N 499.564 0.940 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837371420 WFTCTCWUZMTDJU-QFIPXVFZSA-N 491.932 0.962 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccc(OC)cc3)C2)C1 1837392048 YSIUZSCVHDZYBK-ROKPMTFOSA-N 462.543 0.758 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1837402602 IKRWPCYDLPEXRM-RAZUEPIFSA-N 464.559 0.771 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Nc2cnccn2)CCO3)c(C#N)c1 1837483085 JMFFBVDTJKDWDL-BVZFJXPGSA-N 494.552 0.856 30 20 JCED COc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837524274 DPHDPIIHVXEKHB-KHLOOKIASA-N 462.503 0.689 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1837732155 RQIKUTQICNFQPO-NFBKMPQASA-N 481.666 0.645 30 20 JCED O=C(C/N=C/c1ccco1)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1838022782 MSIFXNXKJABJFV-YDZHTSKRSA-N 482.501 0.137 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1839175533 OSTQXVLWPWNHKV-XMMPIXPASA-N 483.525 0.847 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1 1839185388 YHJXXNBYZAHWMS-JPYJTQIMSA-N 468.595 0.864 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191026 QKPHYTSLLWGOBJ-XZOQPEGZSA-N 465.547 0.540 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1839227706 JJNDRBXFJRONNW-YZZKKUAISA-N 475.546 0.457 30 20 JCED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCO[C@]2(COCCN(C(=O)C(O)O)C2)C1 1839345031 KZGUYQUSJSHMFR-RUZDIDTESA-N 450.491 0.467 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420947 ONDHAHPVXXXOBN-AOMKIAJQSA-N 456.478 0.695 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)cc(C(F)(F)F)c1 1839442755 DPCXINYCBWBWKH-QFIPXVFZSA-N 496.486 0.979 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)CCO2)C1 1839470547 UUBMIKYVASKLMZ-QMHKHESXSA-N 491.497 0.720 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)n(C)n1 1839487330 BUJDYCYJDJFFKZ-HSZRJFAPSA-N 463.498 0.860 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839497926 QILFVVNZWWERGZ-QHCPKHFHSA-N 454.531 0.686 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c(Cl)c1 1839670590 QLPIOVOHXSSHGK-QFIPXVFZSA-N 487.900 0.856 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839719014 YXCQOQQDWMSWTL-KKSFZXQISA-N 479.490 0.014 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(Br)ccc3[N+](=O)[O-])C2)C1 1839805535 LPGKLCYTYYSHOA-IBGZPJMESA-N 466.288 0.989 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1)c1ccc(O)cc1 1839886150 KYJBTENFZKCOKT-OFVILXPXSA-N 471.554 0.872 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(Br)cc3F)C2)C1 1840044379 GOIHXRVPPYUUIU-HXUWFJFHSA-N 483.290 0.675 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(N5C(=O)C=CC5=O)cc4)CCO3)C2)c1 1840771579 GAGOIKMNXLITMW-RUZDIDTESA-N 489.488 0.700 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818194 PWKYDHJRPAIXAT-OAQYLSRUSA-N 472.527 0.600 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820904 PNSFATIIJVOMHV-HYBUGGRVSA-N 472.542 0.698 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C1 1841301177 FDNPTMZFTVWWLM-DLBZAZTESA-N 494.589 0.992 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)/C=C/C(=O)c3cccs3)C2)n(C)c1=O 1843417665 XCNUDNIMFLAIEW-VOTSOKGWSA-N 496.549 0.138 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)C1 1844259631 LZOBGCHBBWOVSL-OSKVOAQMSA-N 463.579 0.889 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844299821 VGKCYLPIIOQQDI-AOOMUMSASA-N 464.544 0.972 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1844386135 KVJOPUKRYNDHFF-GOSISDBHSA-N 491.589 0.882 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cncnc1[C@H]1CN(Cc3ccccc3)CCO1)C2 1846195757 ALNQLBMKSKXXHY-OAQYLSRUSA-N 489.532 0.955 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1ccnc1)C2 1846365840 XYLAJMDXZKCIMH-KRWDZBQOSA-N 490.561 0.892 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)OC)C1 1846511875 TVTXBSVQUOTZNZ-OAHLLOKOSA-N 497.549 0.351 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2CC(=O)C2)C1 1846992798 FSQUHAANEHJJFJ-QGZVFWFLSA-N 478.546 0.974 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1847069856 SWSMGORDVZIOGK-SOUVJXGZSA-N 477.587 0.909 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 514347700 LZJBWHQKOMVPSL-UHFFFAOYSA-N 484.534 0.528 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1cc(OC)ccc1OC 523254714 NVSVVQJPCPEQSX-UHFFFAOYSA-N 486.575 0.947 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 523734041 VEUCOOCGXAFVMB-UHFFFAOYSA-N 489.619 0.912 30 20 JCED N#Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 603629103 STDYKFPKQIHDRC-UHFFFAOYSA-N 456.524 0.952 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c1 604270093 DYENQZIVJAIKPC-UHFFFAOYSA-N 454.552 0.568 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c(OCCC)c(OC)c2)c(=O)n1CC(N)=O 608911510 HNTZZKNGVXJIEX-UHFFFAOYSA-N 492.985 0.875 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 811833541 HJBPPIQSAOXQHM-UHFFFAOYSA-N 477.583 0.906 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 811834312 CZXDMOWCWNTVPE-UHFFFAOYSA-N 450.494 0.797 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c(=O)n1CCOC 838257837 XKELTFRNNAUVCK-CQSZACIVSA-N 473.551 0.154 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917760821 DZPKEDQYVIWAHE-UHFFFAOYSA-N 473.599 0.650 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[C@H](C#N)C(=O)NCCCOC(C)C)cc2)CC1 919664605 JGGNHGRRMNJQNQ-FQEVSTJZSA-N 478.571 0.793 30 20 JCED CC(=O)N1CCC(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1248564496 SZRDCUWKTBHRMD-UHFFFAOYSA-N 476.555 0.629 30 20 JCED Cc1n[nH]cc1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1510437360 QYKYMMCCQOLPHG-PBHICJAKSA-N 450.569 0.871 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1513400688 MNRDWTMNFYQEHG-KRWDZBQOSA-N 463.608 0.950 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 1556354733 SHBMOLCJRVDLOS-MRXNPFEDSA-N 456.524 0.911 30 20 JCED CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1626756335 QRWKQQATUJPVIP-HNNXBMFYSA-N 453.952 0.258 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1696593178 ZSYJPEQUDSEYHA-SFHVURJKSA-N 487.586 0.821 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1729216720 QOLCRWDDPYZALJ-UHFFFAOYSA-N 466.589 0.769 30 20 JCED COCCN1C[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C)(C#N)CC2)CC1=O 1749863930 GVDSOMADWHVGTG-IRXDYDNUSA-N 464.592 0.805 30 20 JCED CC(=O)N1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CC1 1760588900 YQLJGFLFLIZVPG-QAPCUYQASA-N 467.596 0.608 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1778086337 FOVXBFOKXVKUPU-DGGJZMOXSA-N 462.547 0.738 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)cc2C1 1778374379 RWJXVHLAVWMSIN-QFIPXVFZSA-N 458.519 0.991 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1779101554 RBTJPCIQIWOZKI-ZIBQQBJNSA-N 451.455 0.755 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)NCc1ccco1 1779139414 SJOVPOADBIRZSL-SPQMEYHESA-N 454.483 0.994 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1)c1ccc(O)cc1 1779317263 HVMZDONUEBVYLQ-JLRUASKGSA-N 471.554 0.870 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC(C)=O)OC(C)=O)C1 1779400701 QOPRXGKPMFINDM-TWSMVNEUSA-N 454.520 0.586 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](S)C(C)C)C2 1779400829 UNEIZPQVKMVPJL-DCXXXQMHSA-N 458.577 0.950 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c(Cl)c1 1779876776 LVVSKOPJTSLZMU-OAQYLSRUSA-N 454.874 0.858 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)c1 1780168511 HZRUSIUSIAKWDH-JOCHJYFZSA-N 463.454 0.055 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780933969 LBTDRBYCLMOXNA-AOMKIAJQSA-N 462.572 0.295 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1781291758 PVXLPQPBLXHVFF-MWTRTKDXSA-N 493.561 0.228 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781399485 GESWTXDYVLTPRN-SIKLNZKXSA-N 473.567 0.313 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)COc5ccc(O)nn5)CCO4)C3)c2c1 1782198684 CLVSOVIAPHVSNE-QFIPXVFZSA-N 463.454 0.453 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)C=CC3=O)C2)c1 1782311722 IRPBYWKYZQMTIN-CJFMBICVSA-N 464.522 0.930 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1782852590 XVXGAONKSVKUGJ-YTZAWJCFSA-N 472.542 0.490 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C1 1783226483 JIDHTXKSBPGYPP-ZDPZECHZSA-N 451.520 0.590 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1783769282 RAUSDSYSOGWKRH-XCGNWRKASA-N 450.536 0.422 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1785578421 ZKIRXXYZGIGMEZ-KSFYIVLOSA-N 481.619 0.217 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1788603350 ZOUYOLPHVUYIDH-FLRUPXEYSA-N 497.556 0.744 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4[nH]cnc(=O)c4c3C)[C@H]2C1 1789176638 KEOTUNZMFWPMID-FZCLSBEQSA-N 458.519 0.725 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)CCOC1 1789913669 KGIMMYIBBNSODH-DSFVOBFGSA-N 462.547 0.954 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCCCNC(C)=O)NC(=O)c3ccccc3)C[C@@H]21 1790793629 SRGWEWYNNATPEB-GPJHCHHRSA-N 482.581 0.704 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]21)C(F)(F)F 1790884710 RUMWXOYJOFBESI-ABHRYQDASA-N 451.442 0.928 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(OC)OC 1793170249 UVUJVVLNGNZCJO-MHORFTMASA-N 467.563 0.892 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CN(C(=O)OC(C)(C)C)C3)C2 1793342436 OJYMADHXFYQLJM-GGXPGOJBSA-N 487.557 0.902 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O)c1ccccc1 1793943180 QXPSWVAPISQLQX-TWHPPBISSA-N 452.511 0.371 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(S(C)(=O)=O)cn2)c1 1794427336 GXLMSXLBPZDRBB-UPHUGPLXSA-N 484.534 0.882 30 20 JCED Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)c(C)n2n1 1796923558 REXGMGOEKRKWNH-HGKCTWBKSA-N 454.535 0.226 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1797742609 YTUMSPWMGZIAKR-YEWNCCTLSA-N 455.515 0.782 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1798574258 UGSKCJJWRUFQOZ-CWPLJXCYSA-N 464.482 0.024 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)CCOC1 1798694113 CRZNAGNVTONQRA-FIEAQMJYSA-N 473.530 0.773 30 20 JCED COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694210 NZBBIVWMHFLENW-HATOLVCRSA-N 478.546 0.176 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1799063138 OAPARKBPMWHNHS-HGKCTWBKSA-N 472.567 0.397 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)cc2)C3)C1 1799196630 MDLIMEGFBSVMLR-FDKIHUSFSA-N 484.553 0.989 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)CCOC1 1799335124 MOLKOVZFHFUHLQ-VSLMROLDSA-N 493.605 0.732 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2)C(F)(F)F 1800550287 ZVLRVKOSMPDPCR-NPJQDHAYSA-N 477.480 0.922 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1800800056 NTNSZHHZTISPFG-BASYENTBSA-N 452.508 0.336 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)C2 1800981229 RWXJEZRNGZEWDY-NSAWSLCGSA-N 453.948 0.973 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCn2cncn2)c(C(F)(F)F)n1 1801261484 OHULKBBOLHZMDK-FVCICTRLSA-N 463.420 0.857 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1802127154 QTKHVRGWUFEPQI-LVEJAMMSSA-N 462.547 0.019 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)c2cc(C)on2)[C@@H]1c1cccnc1 1802483580 SMYGSHQTZWLYFH-NBBDWSPISA-N 480.525 0.672 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2c2cccnc2)c(C#N)c1 1807708506 VRBKYXKSPCCODT-UYLMIGBBSA-N 463.538 0.933 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]2c2cccnc2)ccc1F 1808563501 XXZLEISCRFBHFC-XTQVGHSUSA-N 466.517 0.934 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cnncc2C(=O)O)[C@@H]1c1cccnc1 1810792619 HILHIQHCIBNURF-ZEUIOTOJSA-N 464.482 0.748 30 20 JCED CCNC(=S)NCC(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1812330848 PATNKEXFIOQUPO-MJGOQNOKSA-N 459.620 0.853 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)ccc1F 1816674657 YDVWNCBECFQMBR-GFCCVEGCSA-N 493.484 0.748 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1817179280 GGABHVVMMXBOEI-WCQYABFASA-N 466.516 0.683 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC4)c2c1 1823889277 KPTWMPYHTMNAGL-AAEUAGOBSA-N 466.527 0.710 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1829267358 VLFMEVQHOOCICW-OFVILXPXSA-N 499.520 0.567 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)n1ccnn1 1829635750 NDBZIEKKVXTIAZ-JPYJTQIMSA-N 452.515 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(Br)n3)C2)C1 1829766065 JEWAJHLDUOOJLA-LLHWWHOWSA-N 499.387 0.834 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829903931 FLFSNSKHQVUECY-XMMPIXPASA-N 450.495 0.570 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c(CC)c3Br)C2)C1 1831393509 MWMRXLKUHJINLA-QVKFZJNVSA-N 497.390 0.853 30 20 JCED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)no1 1832929019 AAUJLMOEDCLRAR-QFIPXVFZSA-N 465.470 0.439 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1833468248 PEFAZCHLZYEMQO-ROUUACIJSA-N 470.574 0.205 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833569668 CYWCYEWUQABTKH-QHCPKHFHSA-N 476.505 0.551 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)CC[C@H](N)C(N)=O)CC4)CC3)c2c1 1834735070 IOEKFXPJNVJGLN-IBGZPJMESA-N 480.573 0.213 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1835644564 UZHFGPLDYKUNII-HSZRJFAPSA-N 456.543 0.674 30 20 JCED CN1CCN(CC(=O)N2CCC(N3CCC(NC(=O)C#CC4(O)CCCCC4)CC3)CC2)CC1 1835751266 GKNKRYMFQMDESV-UHFFFAOYSA-N 473.662 0.504 30 20 JCED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1835755069 PJCKRIUCCWAZAW-FQEVSTJZSA-N 469.604 0.972 30 20 JCED COCCOCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835767481 AEXIGSKLKFAPQL-MWLMUJSGSA-N 454.568 0.750 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)n1cncn1 1835769099 SKHNFNQSVWHSGP-ZNUZEINGSA-N 461.567 0.940 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1836474084 RXGBWZQXAXSTSS-HTAPYJJXSA-N 453.536 0.132 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525289 LTHCDBTYCUNAHP-JPHKLTHBSA-N 469.535 0.704 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CSCSC1)CCO2 1837574079 OAOQABOVMSUSBO-DYESRHJHSA-N 487.644 0.995 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1837664477 NWJTUAGYGVIUOS-WMZHIEFXSA-N 468.547 0.930 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CN(Cc5ccccc5)CCO4)C3)C2)c1 1838736974 DGEZWMOOLPOFKD-JYFHCDHNSA-N 493.564 0.857 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)cc1 1839363059 GDVIWGNWPORIPA-QHCPKHFHSA-N 456.499 0.665 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c(O)c1OC 1839377286 VJJMAVJPWLGPHO-HSZRJFAPSA-N 470.482 0.993 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)CCO3)C2)c1 1839414389 CRZUOZSLTCRVOJ-OAQYLSRUSA-N 455.427 0.884 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486024 IKHNHJIKANEIFE-RDPSFJRHSA-N 466.542 0.989 30 20 JCED CC1(C)C=C(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CN1C(=O)c1ccccc1 1840044108 LDBUDBUNDXXFLI-AREMUKBSSA-N 495.532 0.392 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840055239 MAFAUTDZPIQEDN-GXZWQRSESA-N 489.591 0.218 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840055390 RTIOQNIUNTXCQN-KOSHJBKYSA-N 493.557 0.313 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)c1 1840180475 RJXUCFUKZKBJNW-GOTSBHOMSA-N 475.498 0.253 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)n1cnnn1 1840474620 YCLRYBQFORASBX-VGSWGCGISA-N 453.503 0.195 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819629 XIJPYDHFJDQUIJ-GAJHUEQPSA-N 458.515 0.260 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1840844359 QRTCKQOBLBVJQO-MHECFPHRSA-N 472.542 0.492 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1840909505 UKPHFLIQARXFGP-MHECFPHRSA-N 494.589 0.132 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)c3cccc(C#N)c3Cl)C2)n(C)c1=O 1844734549 OIBLCLZPLULNBE-UHFFFAOYSA-N 495.927 0.476 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)C1 1845884300 VEWLKQAMEXGFNC-HNNXBMFYSA-N 483.529 0.368 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)N2C(=O)OC(C)(C)C)C1 1846483226 VCRPWJJLLSRIOI-SIJIIQCFSA-N 460.531 0.974 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO 10351017 BIMLYAKLHASDDZ-JLTOFOAXSA-N 454.549 0.941 30 20 JCED CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 15118382 AKARQOSBTVGJNT-UHFFFAOYSA-N 465.513 0.885 30 20 JCED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 512993632 QVGZNYSLFBWYID-UHFFFAOYSA-N 491.504 0.819 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 515655300 RQCCDYXSDOWJPL-UHFFFAOYSA-N 450.564 0.698 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc3c2OCCO3)c1=O 523466532 NQRUCOPCLLJIIU-UHFFFAOYSA-N 457.552 0.993 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCc3ccccn3)c2=O)cs1 523857672 SVDIFKZPPRWNBG-UHFFFAOYSA-N 469.592 0.832 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC[C@@H]3CCCO3)cc2)c1=O 590898098 LFSKVZHEHTZBQB-IBGZPJMESA-N 469.563 0.919 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cc(OC)ccc1OC 608826495 ACIAGDMLOCYPLD-UHFFFAOYSA-N 499.570 0.569 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)c1 608911522 HWBVDBHSXHZRNR-UHFFFAOYSA-N 492.513 0.317 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccc(F)cc2)c1=O 608913113 UVCLAMAAZAJGFY-UHFFFAOYSA-N 486.550 0.740 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)c1 726304513 AZWHOQKESPCMNT-NCELDCMTSA-N 471.543 0.577 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 747555849 FGVMBNXNWYTGBA-UHFFFAOYSA-N 453.480 0.799 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1 788280721 YQHIJTPKRLTWMS-YWZLYKJASA-N 454.549 0.865 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1 811834757 YZTSSHFSFWDWFQ-CQSZACIVSA-N 491.547 0.380 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC(F)F)c2)c(=O)n1CCOC 838222867 DXCZMYOSLHCZLO-UHFFFAOYSA-N 465.478 0.971 30 20 JCED CC(=O)N1CCC(NC(=O)COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 898672984 QQPJCGRKMVBJNV-UHFFFAOYSA-N 478.571 0.956 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)o1 914683478 FRELEVWDELKSCH-UHFFFAOYSA-N 455.427 0.205 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690346692 ZPVLBKZGVDCXOI-MRXNPFEDSA-N 459.016 0.923 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CCO1 1696974974 YTSDTYOJHOSSGB-LJQANCHMSA-N 470.530 0.612 30 20 JCED CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1728629960 RGTUAUOFOFSDLJ-PZJWPPBQSA-N 471.654 0.866 30 20 JCED CN(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1747587358 XOKLNICJAUIOFH-VQIMIIECSA-N 485.586 0.164 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)ccc1Br 1779876169 FMJFGFVIMKSELW-OAQYLSRUSA-N 499.325 0.967 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1780339245 USWWQVYCOBVREX-WZONZLPQSA-N 473.530 0.966 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1781294708 IDYPXCMHPKERQW-JLHGSKIFSA-N 477.566 0.924 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)cc1 1781793870 WCCKYTAQMMYBSM-DEOSSOPVSA-N 458.478 0.913 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)C1 1782006283 UTCQTXDSPJDZLK-MXSVQDJISA-N 451.479 0.498 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192816 VXIMUNQPEWZOAQ-QKKBWIMNSA-N 459.528 0.559 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C[C@@H]21 1784477507 FFZNEDDBXWBHEV-CXQPBAHBSA-N 479.574 0.640 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785245905 SXVMVWOYRZCGMN-HSZRJFAPSA-N 475.567 0.564 30 20 JCED Cc1nc(O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)nc1C 1785574099 QHOKDPJXOQISFX-IRYRZFEGSA-N 461.519 0.921 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)[C@H]2C1 1786790359 MFQAYPVCMBBNQP-FJIDUMEYSA-N 480.610 0.699 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)c1 1786978885 HCAMXZXUMFHEIP-YEWWUXTCSA-N 465.445 0.335 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/C(=O)c4cccs4)[C@H]3C2)CC1 1787511457 RLOAWMITIDZNSN-XQMISQMHSA-N 488.610 0.631 30 20 JCED CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5n[nH]c6ccc(C#N)cc56)C[C@@H]43)CC2)CC1 1789808105 ZAQNLJDGBJFKKI-VCOUNFBDSA-N 491.596 0.808 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792628165 CLHWJKGGTZAHEZ-ZMMAXQRCSA-N 481.594 0.707 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793789422 OCYSDHWMTXNHTJ-HIRMHNASSA-N 475.546 0.101 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794088602 QNRYKXMLOMATBK-CNALLMJASA-N 475.546 0.646 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795080257 ZMDDXQWGEYHISW-BIWGCHKCSA-N 450.536 0.498 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N)c1ccc(O)cc1 1795581516 SILHEQSTHNHFAD-XWQURZDVSA-N 453.543 0.319 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796307363 GNLZWIYJVKVDOH-BVRUVYRISA-N 491.614 0.519 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797803398 QZRBIUXYBNOYPR-TWWGPRNNSA-N 451.640 0.278 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]([C@@H](C)OC)N(C)C(=O)OC(C)(C)C 1799169921 NPAGESFHYSQLJG-FGSPNWDHSA-N 481.590 0.885 30 20 JCED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1800839400 JZVYVQNCFRXBEB-JHDGKUDLSA-N 475.542 0.840 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)ccc1F 1802107026 HXTZFUZIARGTMH-YVWYUNDQSA-N 476.555 0.690 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(C)=O)[nH]n1)C2 1802124871 JIOMONDIJOLELQ-YYAJDYIMSA-N 473.530 0.732 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2 1802128996 XHSBLEGIAOXJSX-FKEXNYPISA-N 489.525 0.923 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2 1804406360 YTSREYBWXIDSGM-BHXTYQBISA-N 475.546 0.692 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807026261 SBKGXWCDHOWVDP-QFBILLFUSA-N 468.447 0.322 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1810332152 SVHKOTFPJXFJIT-XMSQKQJNSA-N 467.526 0.338 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@H](C)NC(=O)c2cnccn2)[C@H]1c1cccnc1 1810437489 UVMOYYGZHGNSMA-ZDWTUXFCSA-N 464.526 0.734 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CN(CCO)CCO)n[nH]3)c2c1 1822026929 VCCZYRVZUGNPDY-IBGZPJMESA-N 480.529 0.750 30 20 JCED Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=N/O[C@@H]2CCCCO2)CC3)c(=O)nc1O 1827994619 PGSKMFWTDJKZED-ZDZHXEAUSA-N 490.542 0.855 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)NC=O)CCN2C(=O)OCc2ccccc2)C1 1829221266 NFBZDSZYIBVRAE-UMEGOILYSA-N 484.553 0.611 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1cccn1 1829333622 BJWHKJVSAMXVEI-DFBJGRDBSA-N 493.520 0.984 30 20 JCED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2 1829628688 UTDLFPQIKIZBKG-XMMPIXPASA-N 456.543 0.816 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)n1ccnn1 1829635752 NDBZIEKKVXTIAZ-WZONZLPQSA-N 452.515 0.800 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](C)S)C4)C3)CC2=O)c1 1829639222 FOPMLRKTPRCIRV-QZMQVMSPSA-N 477.583 0.823 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1829769550 ZQZBHKJOZUHNGX-LXHZQTKUSA-N 474.470 0.229 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1830881616 FQARWBVTMPEZED-STSQHVNTSA-N 485.578 0.310 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)no1 1831493843 UYUKIGGMJIAQJV-YLJYHZDGSA-N 454.549 0.124 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1832000806 XPBVNFIXHJYSNW-VFNWGFHPSA-N 465.507 0.609 30 20 JCED CC#C[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1)c1ccc(O)cc1 1834678750 ZBTHNBUFANZSNK-IBGZPJMESA-N 468.602 0.944 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1834775220 XFWAKNOCPNURRE-JXSPYEIYSA-N 471.510 0.685 30 20 JCED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)n5[nH]cnc5n4)CC3)CC2)cc1 1834797143 AUPXVWIBARBTAF-UHFFFAOYSA-N 488.552 0.983 30 20 JCED CS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1835250563 UUMGAJIXLLIRKD-FQEVSTJZSA-N 454.932 0.193 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835620628 GWWNQYKAOVWQJM-HOYKHHGWSA-N 480.606 0.748 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1835644461 OTIKLCDSFYMOKH-HKUYNNGSSA-N 454.568 0.196 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1835668140 UOZASNVQRQWQDT-NRFANRHFSA-N 465.938 0.792 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835674229 FXGYGRICZIFXGY-DEOSSOPVSA-N 458.559 0.976 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1)C(=O)O 1835760981 IJYNUASYNYZYIO-AVRDEDQJSA-N 467.639 0.557 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1835799620 ACMIXJRQEZREOF-OAQYLSRUSA-N 457.512 0.746 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1836842018 DAPMXBTYOMEKFH-IRXDYDNUSA-N 457.593 0.351 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1837440813 ZJUOJDMYWULHBY-MBPBHBQCSA-N 464.563 0.504 30 20 JCED Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1C(F)(F)F 1837440910 GGZWGARMBJIFOK-HTHFWCIQSA-N 486.495 0.981 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1837490661 KNZZSLPVFRIAIO-AHWVRZQESA-N 497.548 0.876 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1837527638 ROKZXTSGXGMJTG-AMGMZLQMSA-N 453.536 0.789 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c(O)c1 1837531780 WRLRVEHFHQUWJI-UYAPEEHZSA-N 477.514 1.000 30 20 JCED CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1C 1838150054 QEHRSJJBBVMBFT-JPHKLTHBSA-N 463.535 0.810 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838257649 MJDTYLKRSFWGJL-NANPPUGASA-N 467.910 0.729 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)CC2)CC1 1838288672 JTSZUOSNPRBBHK-HSZRJFAPSA-N 483.565 0.974 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)cc1C)CCO2 1839022854 IBVWMQMNSLPUAF-IBLIISRWSA-N 457.527 0.932 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccc(F)cc1)CCO2 1839037733 VJJQCOCBQQSVAP-WIEQDCTASA-N 453.536 0.719 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCN(C)C4)C3)C2)c(C#N)c1 1839132348 CYYPXZYFGKPQSS-NBGIEHNGSA-N 470.570 0.908 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1839223837 JLQJGCKWPFSBLV-CYFREDJKSA-N 489.573 0.789 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4C)C3)C2)c1 1839451844 QJYFJSOUUXCJSD-XMMPIXPASA-N 450.495 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c(O)cccc13)CCO2 1839605198 HSOKTDFXYMBKIC-CVUHLLMESA-N 480.521 0.869 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630187 JZOLULNTRRURAK-IGPUNGKJSA-N 455.519 0.500 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)Cn1cc3c(n1)-c1ccccc1CC3)CCO2 1839745579 PRWQKZADKJBDKN-UIOOFZCWSA-N 478.549 0.489 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1839808165 MNDQOMDIVPPQRM-QHCPKHFHSA-N 473.530 0.337 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840843489 SCQBXVWTQZNPJJ-IEGUWTFLSA-N 465.547 0.084 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCN5CCCC5)CCO4)C3)c2c1 1840940543 PECZHHJDXWKPQE-DEOSSOPVSA-N 466.542 0.990 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)C2 1841603052 CMLPUNBPYPACGA-BCYZHJNNSA-N 461.559 0.987 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842946649 VXOVVGODKDLVKJ-HOTGVXAUSA-N 451.568 0.642 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)C1 1844259630 LZOBGCHBBWOVSL-BCEARJSMSA-N 463.579 0.889 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1847068809 GPAFKUWFXZTTDI-CVEARBPZSA-N 470.592 0.434 30 20 JCED C=CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 18522012 XDTGQPKMAGSWKN-MRXNPFEDSA-N 467.544 0.392 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)cc1 505945176 YKEUWJWJODTPIF-QGZVFWFLSA-N 452.577 0.450 30 20 JCED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c2ccccc2O1 518118794 LNVXDCVASCRXSW-HXUWFJFHSA-N 451.458 0.886 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 590909454 SOIWOQDASGHUHW-UHFFFAOYSA-N 484.578 0.724 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1C#N 604000770 BAMKJGFTYKDVRT-UHFFFAOYSA-N 475.486 0.945 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCc1cccnc1 609038533 QJPNNMIUCQDKRU-UHFFFAOYSA-N 492.557 0.600 30 20 JCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)C[C@@H](C)O1 609342362 VQMPGURVMQKLSX-IYBDPMFKSA-N 463.560 0.527 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(OC)c(F)c1 726584034 NJEZRFJNQDBCIY-UHFFFAOYSA-N 485.541 0.663 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2Br)CC1 728589575 IISJEBUWKZUAFK-UHFFFAOYSA-N 472.361 0.682 30 20 JCED CS(=O)(=O)N1CCC(C(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)CC1 744938045 ILZZWRIXXLHZMF-SFHVURJKSA-N 458.544 0.952 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 753642924 FKXKLOYDWHFCHV-UHFFFAOYSA-N 459.480 0.333 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 769634682 UIALTLKSERIYNW-SFHVURJKSA-N 489.531 0.724 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1302505225 HSOZRLWYJRZHTC-UHFFFAOYSA-N 469.518 0.665 30 20 JCED CN(CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1314851722 ZNKYPKHCPUHRSL-UXHICEINSA-N 489.602 0.866 30 20 JCED N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1316541287 VUQJEUORACTGKV-APWZRJJASA-N 467.935 0.789 30 20 JCED CN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503375903 ZEJNPKUQHLQXFG-UHFFFAOYSA-N 479.570 0.951 30 20 JCED CC(C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1509528598 UIKKGCYCFCBKKH-OALUTQOASA-N 480.639 0.128 30 20 JCED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1620357508 XUPCJYNGKNDKGL-CABCVRRESA-N 464.573 0.823 30 20 JCED CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1711162837 JNSCODLWMWRRMB-DYESRHJHSA-N 461.544 0.751 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1729746725 QUVCGIGTOPJOFO-KRWDZBQOSA-N 489.602 0.971 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1747526362 MJKCZWHTGVLYBN-VGSWGCGISA-N 460.558 0.899 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1779400698 QOPRXGKPMFINDM-DJZBOODTSA-N 454.520 0.586 30 20 JCED CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779419560 AZZHLVVRWFYFPX-CXILCQDGSA-N 459.565 0.464 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cn5[nH]cnc(=O)c5c4C)C3)C2)c(C#N)c1 1780019925 JQQQMSGZHDSETC-VWLOTQADSA-N 490.520 0.898 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c1 1780176267 YAEFITYVEOWJJW-QFIPXVFZSA-N 451.439 0.812 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1780253155 QYUWSLOZXDRYOX-GAJHUEQPSA-N 473.530 0.779 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CCN4CCOC4=O)CCO3)C2)c(C#N)c1 1781172757 WIBXWEHQCDIESY-QHCPKHFHSA-N 456.499 0.782 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873394 SUDDGHXYXJEAJR-RHGYRFJNSA-N 492.642 0.989 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1783531141 DEQZFCWALQQAAY-XYOLNXMOSA-N 456.425 0.275 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)NCC)CCO2)C1 1783768102 IKTUEJQBSHSAMX-YGKZAACZSA-N 481.594 0.993 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)CCO2 1783922697 XYCCQBCFEGZVAM-JOCHJYFZSA-N 471.518 0.532 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21 1784786220 RZWSPGVPBDFTIA-AVEIZBFRSA-N 482.578 0.498 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787428265 RNKMXSLWJMZQLF-LLLHUVSDSA-N 491.545 0.951 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1788573372 VANBXBGRIWZXRA-OTRWWLKZSA-N 460.556 0.922 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC)NC(C)=O)C[C@@H]21 1792256816 MIZIQNGZLHSHOV-OMZCGLGVSA-N 494.589 0.034 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1792256822 MMEAMCUDAMXICW-TXTZMMAHSA-N 450.536 0.017 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)OC)C[C@@H]21 1792262082 YKXKFXNTVIFIJW-XSLAGTTESA-N 465.547 0.836 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)C2 1792491275 GMCPDQIZWOBACK-IBRLJDPESA-N 458.471 0.665 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793086065 OFWDVUABCVNPRF-AJYBTWMASA-N 469.579 0.835 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1793595101 KMUOCNAMOHHXPU-RIUYPTKQSA-N 468.551 0.108 30 20 JCED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1794251107 HLNYOVQUQFAVGZ-BJWYYQGGSA-N 454.531 0.266 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cncn1-c1ccncc1 1794464563 LWKCCWISSVYARR-PMEUBLMBSA-N 451.531 0.942 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccccc2)C1 1795278160 PUWUTPRFSXPMDM-JCISHKRCSA-N 483.565 1.000 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)cc2)C1 1798921058 ARPPRSFTOXIFFO-VIYGXFRKSA-N 484.553 0.989 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799184323 MTFLOXUSWINAGB-YMQHIKHWSA-N 491.633 0.129 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1cncn1 1801262678 WRXMZVXDHSGIPQ-JTJHWIPRSA-N 488.589 0.955 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c1 1801760867 UKYYQTSCNPTREA-IBHRTIHJSA-N 474.583 0.942 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802085921 XZOTWJAWSGWKKG-CYGHRXIMSA-N 485.603 0.952 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1803600557 BMLLKFAIEWXBCC-XKQJLSEDSA-N 456.532 0.482 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808270906 JFKBANANVVWVNE-FCGDIQPGSA-N 460.579 0.843 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)C1 1809774524 RXDIJRLPFQCVEX-UHFFFAOYSA-N 467.636 0.925 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817653712 WJTYQRKSTXOEMO-IMJJTQAJSA-N 475.502 0.860 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1828806629 XVOKCHUUZIEGQZ-MBSDFSHPSA-N 453.499 0.631 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CN4CCNC4=N)CCN3C(=O)OCc3ccccc3)C2)CC1 1828981794 UTDATCKVKXRYRY-VWLOTQADSA-N 493.568 0.582 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1829263149 LRPFHEHPEAOPLW-KOSHJBKYSA-N 454.527 0.939 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)[C@@H](O)C1 1829691847 NXPCBOVYJYWACM-RLSLOFABSA-N 491.585 0.474 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4sccn34)C2)C1 1829770459 QZVGTOCWWDBHHB-XSAUMEDDSA-N 473.555 0.633 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)c1 1830458876 KZLPKUCZBHLXQX-RUZDIDTESA-N 470.570 0.670 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1830643016 MBWQRTLMASKROI-XMMPIXPASA-N 460.619 0.991 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c(C(F)(F)F)n1 1831018190 WDKPWESOZMFDFX-HXUWFJFHSA-N 497.430 0.494 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)CCO2)C1 1831139128 NJMSSCMQXHZXHZ-UUOWRZLLSA-N 477.558 0.658 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1831426336 KMFYLYPKVUDYSM-MBSDFSHPSA-N 462.547 0.334 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1831998896 UUIQCPUDFWSWCJ-MBSDFSHPSA-N 477.562 0.960 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1832000554 TXLCRKGXCMFKIW-ZHRRBRCNSA-N 478.550 0.653 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832423774 GOIDVRCRAYEGRU-JECJHWOISA-N 463.579 0.317 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1833468522 UEIXTSPEGFLIEP-IIBYNOLFSA-N 465.547 0.091 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](CC)NC(N)=O)CC2)CC1 1835060193 WRWWEAIVOVXFEE-GOSISDBHSA-N 451.568 0.514 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835099294 PFMPJMCINIBGSB-FLZWBEAESA-N 469.634 0.995 30 20 JCED COC(=O)CSCC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835729958 SKHHMJVEWOCCEC-HZHRSRAPSA-N 467.636 0.936 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1835844215 MDSQSKMFQGCKKD-QHCPKHFHSA-N 487.576 0.963 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)CCO2)C1 1836259676 JSVXPGOAGLAASE-CLOONOSVSA-N 499.568 0.541 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1836380654 ACMYJCCBCSLFRQ-QHCPKHFHSA-N 477.583 0.890 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncncc3c1)CCO2 1837022395 MGBJNHAQWDRXQO-VRWDYKOXSA-N 465.510 0.558 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1838075473 IKEOIPCQCMKJCW-SFTDATJTSA-N 493.649 0.968 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnn4)C3)C2)c1 1838584124 QUPIDKDGZGWVLY-QHCPKHFHSA-N 467.482 0.506 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1838605280 WRKXICCBEUSGIT-XMMPIXPASA-N 483.525 0.942 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1838742435 FKHOUQCENXCHOL-KFVKGYIZSA-N 468.466 0.787 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)CC1 1838906053 NNNYXJBWYVWTTG-XMMPIXPASA-N 455.559 0.266 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(c3cc(NC4CC4)ncn3)C1)CCO2 1839039130 UYASYRIJGRBUCO-HOYKHHGWSA-N 483.573 0.637 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)[C@@H](O)C1 1839108272 DZZCEFSANDALBF-JXQFQVJHSA-N 477.558 0.084 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1839175515 NSDSHUMGMIGVQZ-YDIMBITNSA-N 477.558 0.353 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1 1839184720 AFGUALRKQRVFBX-VGSWGCGISA-N 455.552 0.949 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1839222978 HACNIFSHGLQRAZ-BLLLJJGKSA-N 471.404 0.599 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)CC1 1839420688 XQMQRBZYPXTTQT-XMMPIXPASA-N 473.549 0.405 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)Cn3cc4c(n3)-c3ccccc3CC4)C2)C1 1839810068 BOOFATPAGSSBEG-UIOOFZCWSA-N 478.549 0.489 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)CC)CCO2)C1 1839828243 KVKIXBPXLHYDJA-KSFYIVLOSA-N 453.536 0.891 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1840795961 LMANXBDBKVZKLP-WAIKUNEKSA-N 493.561 0.178 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5c(c4)CCNCC5)C3)C2)CCC1 1840815235 DUPFDUGUSMKWAS-DEOSSOPVSA-N 453.543 0.534 30 20 JCED Cc1ccn(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840818461 DOVPPASJDPQXOE-HSZRJFAPSA-N 453.499 0.599 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCC)C2)C1 1840909268 XQNYIKURZIYPFH-WZONZLPQSA-N 467.563 0.786 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@]23COC[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 1841081372 VTTNUYHVFPLWMN-NODZLZLFSA-N 488.585 0.932 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848068685 NEXFXVXTWYCWDH-PMPSAXMXSA-N 463.535 0.600 30 20 JCED Cc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)cc1S(=O)(=O)NCC#N 518216307 KGIVBRIYZFVLMH-HNNXBMFYSA-N 454.599 0.887 30 20 JCED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)CC1 603876071 NQFWELCZIDTKNR-UHFFFAOYSA-N 473.555 0.980 30 20 JCED COc1cc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc(Br)c1OC(F)F 727162776 VYYSOYOQHWMQPX-UHFFFAOYSA-N 485.266 0.794 30 20 JCED Cn1cc(/C=C2/CN(C3CCCCC3)C/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 727266993 MCFHICVCDOQSIS-VRNBXGKJSA-N 481.553 0.166 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CCS(C)(=O)=O 729670934 BXDREIMBFUJOKD-UHFFFAOYSA-N 473.601 0.974 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCS(C)(=O)=O 729674076 AMFDSNSXQWJNRI-UHFFFAOYSA-N 451.957 0.413 30 20 JCED COC(=O)CSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 729884503 LGAMTPXTAXACIN-RCCKNPSSSA-N 456.546 0.460 30 20 JCED CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2c(c1)OCCO2 730720196 HSNJWYITDASRSV-HNNXBMFYSA-N 456.484 0.954 30 20 JCED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl 828062373 HUFJNRMFKXOSJS-AWEZNQCLSA-N 469.947 0.926 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)cc1 858005620 SRMOECGKLGDISL-DOTOQJQBSA-N 470.569 0.569 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(CCNS(C)(=O)=O)s3)CC2)o1 915382087 QYDJHSONOPDLMU-UHFFFAOYSA-N 481.556 0.514 30 20 JCED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 916198068 BSQZAGHFDJAIEM-UHFFFAOYSA-N 467.503 0.755 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)c(F)c3)c(=O)n2CCOC)CC1 916199086 AHLAASMZIVECIQ-UHFFFAOYSA-N 462.522 0.502 30 20 JCED N#C[C@H](C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917013104 IMBVRIVHODVYPD-GOSISDBHSA-N 497.489 0.797 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)F 1288863848 SKROBOODPNIYMX-NWDGAFQWSA-N 473.485 0.827 30 20 JCED CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1OC 1302410751 SLEMTJOEIYRHPE-HDICACEKSA-N 461.544 0.606 30 20 JCED COCC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555417281 KDQDPFKEODSONS-JTSKRJEESA-N 454.535 0.889 30 20 JCED CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)(C)C 1697176366 YDZKRGWYDOKXPT-GUDVDZBRSA-N 495.650 0.849 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)CC1 1741988847 XUCBVYRERWOPRG-CYBMUJFWSA-N 475.522 0.122 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CC2CCS(=O)(=O)CC2)C1 1771361291 KOSKQBPYBNFNNW-QGZVFWFLSA-N 486.620 0.176 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1778968666 VOJMVOCZMCIRNV-XMSQKQJNSA-N 465.572 0.643 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014819 JZVWUWFQHBVUBU-OFDFKWJBSA-N 481.594 0.564 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C3)C2)c(C#N)c1 1779071301 FORKCMQRLUVQJA-QPPBQGQZSA-N 487.509 0.434 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1779104455 DGEODZSVCBAYPV-HLRKREJISA-N 460.413 0.796 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104565 MFGZWXOHJGTSHT-BFBBILTRSA-N 498.577 0.885 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C3)c1 1780088954 KCZJKGMSELASFL-WIYYLYMNSA-N 480.458 0.419 30 20 JCED CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(F)c(C#N)c2)C1)C(=O)C(=O)O 1780756046 YHITYVOOPVFYHD-WZONZLPQSA-N 474.489 0.297 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1780933348 ZNWBCMOBXTYOFO-IBVKSMDESA-N 495.576 0.950 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)CCO2 1781265442 NMINJSGNJFXKBC-RUZDIDTESA-N 499.568 0.361 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1781265494 OWHZLFYNHRBFEY-OAQYLSRUSA-N 465.528 0.438 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782196739 GCQQURFLFGFMJO-PGRDOPGGSA-N 454.487 0.029 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ccc(Br)cc4c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c3ccnc(OC)c3)[C@H]2C1 1785101705 CDHWTYNEZSGHPZ-GRMGMVGISA-N 456.543 0.861 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785344532 HQOGFGJWVOZQBJ-YADARESESA-N 478.590 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1785575179 ZNEOYXIDZGPMRQ-GLDPYIMESA-N 471.558 0.828 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2C1 1790231086 TYTLUJIZPGARBU-CJCBUOBESA-N 464.906 0.869 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1790695593 CBMPMDAEMORHCX-NXHUNJGVSA-N 498.671 0.101 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21)C(F)(F)F 1790883255 RTXHBGKNZJGYBK-YHUYYLMFSA-N 450.410 0.579 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1792145833 OCMUJKYIVKVXRC-FTRWYGJKSA-N 499.549 0.382 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(C)=O)C[C@@H]21 1792258755 PVNMRLNRCBSKEB-GBBGEASQSA-N 464.563 0.407 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792424718 PJORSUXZZJOTFO-IIZPIQPGSA-N 486.569 0.966 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1793359334 VDZMYWUIYWQTLF-HVRFAWQISA-N 467.563 0.851 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C2 1793592782 SSVJVQRSGHHFIB-PJVZLEMVSA-N 466.579 0.960 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793629936 LAUOBQRGMFKAAC-MHORFTMASA-N 463.579 0.867 30 20 JCED O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1794003680 SGCOWAROUUSQTD-SPFNZZPCSA-N 459.484 0.882 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794090047 ZWJFGSADULYHKN-RDGPPVDQSA-N 498.646 0.824 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ccc(C(F)(F)F)cn12 1797435290 VRDWAUPIMREQPS-KSPBDQMDSA-N 450.373 0.644 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1797709908 BUQSLYOPUJJHJN-SHJAMOMRSA-N 458.559 0.695 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1799231974 FUUAWCLKHRYKJC-STEXWYFWSA-N 476.574 0.551 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@H](N)C(N)=O)C2 1800025508 ZWZBEWKFMQVZLP-XCDZQEORSA-N 477.606 0.914 30 20 JCED CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1 1800773961 AUUOFFAHTXMYLV-JLVBRIDZSA-N 467.494 0.403 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1800993463 FSNAMEFUAIKEGU-FAQVEIGNSA-N 497.577 0.671 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1800997169 RMORATOBMALPRH-RCJHGTSTSA-N 450.536 0.148 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(C)=O)C3)N(C(=O)OC(C)(C)C)C1 1801103128 CEHMSJZBLHDNNB-ZMMAXQRCSA-N 450.536 0.278 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1802127060 FIQBDYGDXWZRIL-OYNZLANYSA-N 462.547 0.113 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1)C(C)(C)S 1808271363 NNOOGKOFSHCMPB-WNRNVDISSA-N 494.662 0.975 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]1c1cccnc1 1810339355 PGOXUSFBGRWPCH-SKHLZRIUSA-N 486.525 0.441 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(O)nnc3O)cc2)[C@@H]1c1cccnc1 1811423892 HOXRVULFSVRNFB-UZLBHIALSA-N 476.449 0.481 30 20 JCED C#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1814109106 OHEJFGBPECRSFM-VWNVYAMZSA-N 483.594 0.681 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814813316 GUWRQZOPHDMDGQ-KBPBESRZSA-N 456.528 0.599 30 20 JCED CCNC(=S)NCC(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814984249 OCXGKMMNDJJINY-GFCCVEGCSA-N 451.622 0.821 30 20 JCED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1815797095 FLGLOIAVNNKZLA-ZBFHGGJFSA-N 498.544 0.440 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1820949437 ZAFIRVQPKXZXRY-UKRRQHHQSA-N 463.491 0.766 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975430 WNPQTNRKOWJVLL-UYAOXDASSA-N 453.605 0.375 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N[C@H]1CCc3nc(NC(=O)C#CC(=O)O)sc3C1)C2 1825670441 CGVJEDIKZVJQMZ-STQMWFEESA-N 485.522 0.779 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1F 1825674794 GHZAGPJCJPAXRI-LLVKDONJSA-N 465.484 1.000 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCN2C(=O)OCc1ccccc1 1828969741 MSTMZVJCMAUXPK-CEXJFXJFSA-N 491.614 0.350 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1829358362 NAKKPWSDLLGOOX-DEOSSOPVSA-N 486.525 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccnc3Cl)C2)C1 1829763787 BAJROYRZAPHEHB-YOXWTLATSA-N 466.897 0.803 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Oc3ccccc3)C2)C1 1829771122 GVXVHMLZIYBFHE-KXSQZTRYSA-N 457.527 0.769 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1829771604 WXMDVTLFSTTYOX-QGZUEGPWSA-N 454.738 0.671 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc4[nH]ccc4c3)C2)C1 1829773328 HDKZTQOPUBXRLR-SFTDFLHESA-N 481.553 0.810 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830049886 GPYQUEFPHOPNLF-RUZDIDTESA-N 484.553 0.773 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830352542 PLXFBDIMHXPUTJ-FTGWLVSGSA-N 495.536 0.136 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1830756676 JSQBPBOKZNAEQC-YHMUTIFUSA-N 452.552 0.456 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1830778706 JBKBWOSKDNUZDE-CSODHUTKSA-N 485.628 0.437 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1831484854 HCDCSSKKFNJDIC-WIYYLYMNSA-N 452.577 0.545 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832004730 LNJAPUJQOREAEI-XLNZFTOWSA-N 495.573 0.117 30 20 JCED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CCC1=O 1832381160 ULLDBFYKZMBYKY-HSZRJFAPSA-N 479.497 0.113 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1832454658 WIQVVVYYYJRKQN-HSZRJFAPSA-N 476.599 0.907 30 20 JCED COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1832767317 KMPVVEXZIDPOKT-UUVZMSSXSA-N 456.499 0.801 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832788679 CBPWFFHYGBOLHP-ZHRRBRCNSA-N 450.536 0.765 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833028983 YXBFSIAEPMCGRP-LNPFQXMTSA-N 491.545 0.250 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833400293 QQJQREZKBYXSII-XMSQKQJNSA-N 481.571 0.128 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)c(O)n1 1833699660 HCXCLCIXTXHEIY-QHCPKHFHSA-N 455.515 0.942 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1833724234 NBLHMDFHMBAHFS-ZHRRBRCNSA-N 461.519 0.396 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834716224 PCGCQTJKHQIADQ-SFHVURJKSA-N 498.632 0.448 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835516037 ORTDYUQZKOXSPP-QGZVFWFLSA-N 472.590 0.793 30 20 JCED C[C@@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835810727 WQFMAOSAPBWVPI-QVWJKXSPSA-N 458.611 0.958 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1836859698 WZIOZPDKICZIBL-GOSISDBHSA-N 469.604 0.449 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(=S)NC)CCO3)C2)c(O)n1 1837462438 JRCBUAZXNGJFKM-HSZRJFAPSA-N 491.614 0.460 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1837527335 LOBYEKPHIGYYKZ-KEBYFXCJSA-N 466.579 0.848 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1837563739 XYUPBTBPHWQWQZ-OTUOEDBFSA-N 497.552 0.700 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nc2nccn12 1837565561 WNFYMFWFGYETRV-AMFJNGDOSA-N 466.498 0.820 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838431675 ZCFPGPBZASUTOR-XMMPIXPASA-N 476.493 0.750 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c([N+](=O)[O-])cc1O 1838738185 VSXVSPYNWSMXRV-QFIPXVFZSA-N 485.453 0.893 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CC(=O)Nc1ccc(F)cc1)CCO2 1839028601 LXKIOFNGTLWULR-WEHRJKGCSA-N 488.516 0.469 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4c(O)cc(O)cc4O)C3)C2)c(C#N)c1 1839133077 ZJIGOXHXVAMGTA-VWLOTQADSA-N 497.504 0.996 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1839136550 YWFKHJTWOAFGJE-UUOWRZLLSA-N 495.573 0.703 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C1CCOCC1)CCO2 1839139489 JIWASETZTPYYIH-YADARESESA-N 479.574 0.786 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1839175195 UHELIDZRRNVWOC-HXUWFJFHSA-N 452.895 0.709 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c(O)n1 1839235356 YKXKRGYMYZGZIC-QFIPXVFZSA-N 456.503 0.268 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)c1 1839420337 CBVLELQDXYOHGP-HSZRJFAPSA-N 480.456 0.829 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486499 XZNUYNKGGWGIMA-XMMPIXPASA-N 482.541 0.667 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO4)c2c1 1839784616 SITUSSGPHURODI-PGRDOPGGSA-N 487.538 0.082 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2)C(=O)O 1840763278 SJNRPODWCHGQNZ-YADARESESA-N 488.541 0.478 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1840820065 WXFWDJJARKPEEL-DEOSSOPVSA-N 465.510 0.850 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880067 VFZMQXHMUPFNGN-JREJRMLUSA-N 462.499 0.864 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1840907525 XJVAAUNHLPXLAP-ZYLNGJIFSA-N 492.617 0.844 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C2 1841055881 BORZKCLHPQXEDL-ZEVQVBBLSA-N 486.573 0.907 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842304978 BETBGIPLMTXEKQ-GOSISDBHSA-N 455.559 0.798 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 31603848 TVKVVVJJFKABMK-UHFFFAOYSA-N 456.528 0.929 30 20 JCED CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 604162673 HPXCXVAOXULQFL-UHFFFAOYSA-N 469.523 0.318 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(=O)N(C)C 604269893 HRFAQDOAXIBUKV-UHFFFAOYSA-N 493.383 0.026 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CC(=O)N(C)C 604270067 OOFGJOFMWYHZIN-UHFFFAOYSA-N 488.635 0.766 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(F)c(F)c3)c2=O)cn1 608884451 ICBZCVNPSXTEHD-UHFFFAOYSA-N 484.484 0.943 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)c(Cl)c3)c(=O)n2CC(N)=O)CC1 608912566 ZYJCPGKBQGNQDW-UHFFFAOYSA-N 494.404 0.369 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CC1 728589604 ITDCBDYGSAZKLB-RTBURBONSA-N 496.655 0.409 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 729256916 MMPIWPXYWJOGDZ-SFHVURJKSA-N 464.563 0.510 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCS(C)(=O)=O 729671629 RFNSSAKEKLVIKH-UHFFFAOYSA-N 477.608 0.227 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(C(=O)OC)c2cccc(Br)c2)C1=O 730994264 IDKSTJWPGYLWFN-SFHVURJKSA-N 452.261 0.930 30 20 JCED CCCn1c(CCC(=O)OCC(=O)NCC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 731238049 UPMVRYKDYMATAO-UHFFFAOYSA-N 477.543 0.583 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)COCC2CC2)c1 749043013 LIPYFQRGHVABBA-PDNPPFGYSA-N 452.533 0.342 30 20 JCED COc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(N)c1 915405554 QLKCTBGMGUEBNK-UHFFFAOYSA-N 458.496 0.839 30 20 JCED CCn1c(CCC(=O)[C@H](C#N)C(=O)NCCOC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 916892190 ITLGLYRKJBPOPW-KRWDZBQOSA-N 491.570 0.481 30 20 JCED CN1CC[C@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1554357907 JPXJBWGCTMUYOR-SIKLNZKXSA-N 489.602 0.186 30 20 JCED CN(C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617683450 MYIBNEWAHDIEQW-RBUKOAKNSA-N 494.666 0.375 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1618842510 VLASZWJXNULZGZ-IBGZPJMESA-N 459.576 0.667 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCc1cnn(C)c1 1692792135 CGQDIQARMHCYHV-YJBOKZPZSA-N 461.596 0.431 30 20 JCED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCO1 1697913723 UESUJSHQIOMJSG-IBGZPJMESA-N 456.503 0.439 30 20 JCED CC1(C)CN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCO1 1724011652 QVSQIASDXSTOFK-AVRDEDQJSA-N 495.650 0.852 30 20 JCED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c(=O)n1C 1724359694 WLGOBJGRGUBEOD-RHSMWYFYSA-N 463.564 0.262 30 20 JCED CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1728677468 LOCGTWGXKAEUDT-UHFFFAOYSA-N 490.590 0.472 30 20 JCED Cc1ccsc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1742078433 OFBOUVSIPUATNQ-GJZGRUSLSA-N 452.562 0.758 30 20 JCED CC(C)NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1750994223 SRKNAXQIBFVNHL-SFHVURJKSA-N 471.587 0.903 30 20 JCED C[C@@H]1CCCN(C(C)(C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1752136863 XJRLHZBWOKNALC-QYZOEREBSA-N 495.650 0.850 30 20 JCED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)n(C)n1 1762400501 LVZYKJNLFTWKDL-YLJYHZDGSA-N 462.580 0.831 30 20 JCED CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1765850486 OATXDCGCTPXXSS-VQTJNVASSA-N 453.565 0.610 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(O)cc2)C1 1770351579 USUFPAHWRGDNBQ-MSOLQXFVSA-N 462.532 0.288 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1779103068 NFXRGYLIIFEHHM-RAGMITBNSA-N 451.398 0.451 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1779873329 NJBPSSRSXNMFHR-JOCHJYFZSA-N 453.886 0.724 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3nccnc3C(N)=O)C2)c1 1779938308 BFSGKMQIYLWAIA-HOYKHHGWSA-N 478.509 0.897 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1781396978 XEFVZEMRSLYORU-HYFFOGBASA-N 470.567 0.893 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(N)=O)C2 1783269273 MKEFFRYENZDCRT-YGKZAACZSA-N 464.563 0.682 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1783602118 KQCANTQRFZBHDH-GAJHUEQPSA-N 489.529 0.786 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1784480979 BOPDKNLODIGBPA-WLNKUXMVSA-N 479.574 0.376 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1784504597 RYKRPLKRGJNCKS-CBVHJVASSA-N 471.514 0.863 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)NC(=O)OC(C)(C)C 1785305631 WCNBIYJWSOCNSE-ORQYLMBXSA-N 466.579 0.399 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(C#N)c4)C[C@@H]32)CC1 1788248734 RLHCLFYFLDRGQH-FKBYEOEOSA-N 453.543 0.316 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5n[nH]cc5[N+](=O)[O-])[C@H]4C3)c2c1 1788814175 XWYHTTMQPXCDGQ-JDFRZJQESA-N 464.442 0.973 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)N1CCN(C)CC1 1789799900 NVHNQPSJRGEITA-TVAOHMKVSA-N 465.595 0.131 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)ccc1Br 1790197453 LKAXZZAGFRSDDC-ZVZYQTTQSA-N 489.374 0.754 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCN5C(=O)C=CC5=O)C[C@@H]43)c2c1 1790328584 GRWUPERVFUTSIZ-IEZWGBDMSA-N 476.493 0.343 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1792490369 YHWBVSACTUSALW-RJCXDBGRSA-N 454.483 0.169 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1 1792887307 PLLZFBCBKYVGRK-HNJRGHQBSA-N 488.541 0.656 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(C)C(=O)CC2)N(C(=O)OC(C)(C)C)C1 1793787356 KCAZLJCQPBTYOI-WQDJSCAQSA-N 489.573 0.750 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2)[C@H]1SC(=N)NC1=O 1796426685 FHGOATANYKWWGF-AYVKHACWSA-N 471.539 0.329 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796481354 TUCROUOOXAAPPA-UPHUGPLXSA-N 466.542 0.651 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1797121838 UVHVLXBQDHEBNL-VYMYIBDJSA-N 487.557 0.707 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCO2 1797438316 POPGMPXKQQYWIW-CLWJZODNSA-N 487.557 0.785 30 20 JCED O=C1COc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3(O)CCCCC3)C4)cc2N1 1797450228 AAHWYDNTTUBVBT-FEJSZKPUSA-N 467.522 0.919 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797739835 IANKWVDHMSLTSD-FONMZJLOSA-N 491.589 0.626 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccc(O)nn2)C3)c1Cl 1798592702 VHINQHREZNROER-VTEUUUEMSA-N 457.874 0.989 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C)C1)C2 1799324324 HMMWQLVVBJUTMD-FCGDIQPGSA-N 450.580 0.997 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800774035 NMRICSRUJQLUCC-VQQMMKBISA-N 485.537 0.800 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1800992830 ZQMRUBGGHBCION-NHKMSHSESA-N 451.523 0.995 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)[nH]2)C3)N(C(=O)OC(C)(C)C)C1 1801102322 HDBPKSPNUFPMEK-FSDCSDTHSA-N 461.519 0.884 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)N2)C3)N(C(=O)OC(C)(C)C)C1 1801104133 ZEQYQCDQZAEZOT-OYNZLANYSA-N 462.547 0.420 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1801284279 XYCJBQIIJIQPRW-NNTZPNAXSA-N 483.956 0.752 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCNC4=O)C3)cc1C#N 1801847186 AYNCNFGZLPUQOV-OPMZPASUSA-N 492.536 0.802 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 1802139445 NAWARVKRDXLTAE-MUJYYYPQSA-N 467.931 0.735 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810094152 IFYAKTIZCKQXRG-CZTZKLFOSA-N 472.542 0.851 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810351287 IGUMIKAKZJQYFF-XQFWAAQXSA-N 460.531 0.247 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1812718037 YOWYNXCNZDDNRU-FYYLOGMGSA-N 451.527 0.559 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1814065016 DFWFYYIWFANTNI-BWKNWUBXSA-N 481.553 0.325 30 20 JCED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 1825118355 HMOINLNRBGWAJF-OLZOCXBDSA-N 485.570 0.715 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1828517455 ASFRNCVTUAUEOH-HSZRJFAPSA-N 470.530 0.657 30 20 JCED CNC(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1828578917 FCRKXOJXYARFPY-ZHRRBRCNSA-N 462.572 0.893 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1828581140 ZUNGLINIWHLXSP-BNIKKZEQSA-N 496.564 0.755 30 20 JCED CC(C)[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=N)N)C2)C1 1828585491 WFLAELLWLGVDAD-CVDCTZTESA-N 490.630 0.876 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)COCCO)C2)C1 1828924728 AHEVKXSPZVIPMT-QHCPKHFHSA-N 458.515 0.751 30 20 JCED O=C([C@@H](O)N1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828952789 ZYNXROHOVZMLSD-XUZZJYLKSA-N 461.603 0.955 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990062 LTUPKSKBYBYCRP-KBMIEXCESA-N 498.584 0.581 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CC[C@@H](N)C(N)=O)CCN2C(=O)OCc1ccccc1 1828990083 MDHSNESYNJPKFG-DVECYGJZSA-N 471.558 0.607 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1829466933 UIVTYVRIKHARJM-NBGIEHNGSA-N 466.538 0.988 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1830461503 MKAWOJKMKHJLJV-RLWLMLJZSA-N 483.613 0.583 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1830469838 HWTARHSZDNMIKS-QHCPKHFHSA-N 486.912 0.723 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1830779030 XZRIGUQKYCCDGN-UWJYYQICSA-N 464.544 0.032 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1831136510 IEXGFIZUXVSBIH-JOCHJYFZSA-N 468.551 0.678 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3COc4ccccc4O3)C2)C1 1831387418 HWDHEBXOCYCDAR-IECBHUPTSA-N 458.511 0.711 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=C4c5ccccc5C(=O)N4CC3)C2)C1 1831397427 YAMVHUZEJHCDQN-WXTAPIANSA-N 479.533 0.752 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1831438258 NIFJAPHFIYLDQS-WSUBETFTSA-N 491.560 0.920 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1831997805 GMESORUWMZQHIP-DVECYGJZSA-N 496.605 0.244 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832361600 XFWBVLFRAPNKHH-UQBPGWFLSA-N 491.585 0.743 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832881253 JZFQODQNNFCOCG-FQEVSTJZSA-N 454.474 0.802 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)N4CCOCC4)CC3)CC2)cc1 1833041967 SWCSJKSWRUKVRI-AREMUKBSSA-N 483.613 0.713 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C(C)=O)[nH]n2)CCO3)c(C#N)c1 1833824903 XKAGBRFJGNZJDD-XMMPIXPASA-N 481.509 0.805 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(NC(=O)OCc4ccccc4)CC3)C2)C1 1834760742 IZKYAZGOZYWVEI-QFIPXVFZSA-N 456.499 0.815 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096962 MQVPBNPQUNMZAD-VWLOTQADSA-N 497.573 0.748 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342047 IZMXMFLMTJHSQM-KSFYIVLOSA-N 466.535 0.286 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835495055 FXVAJBAIJSUHSG-ZOLLBZJMSA-N 498.540 0.866 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C[C@@](C)(O)CC(=O)O)CC2)CC1 1835717704 GVCOWMLWJDEHCK-FDDCHVKYSA-N 453.580 0.747 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)NCC(C)C)CCO3)C2)c(O)n1 1836523462 XFNZIGQHQCKSIM-XMMPIXPASA-N 474.558 0.748 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1837394539 CKSPNMLZCJTVAE-SQJMNOBHSA-N 488.585 0.561 30 20 JCED N=C1NCCN1CC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1837860981 VCXUWVYJXSQWOX-XAOCGEIJSA-N 464.567 0.354 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C3)C2)c1Cl 1838596115 OJBBANZUSNKLDX-JOCHJYFZSA-N 497.899 0.326 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n1 1839222958 GSQWJUBPYBHQOD-AOMKIAJQSA-N 461.519 0.911 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419744 SSLZOABHKGIWFX-QVKFZJNVSA-N 482.534 0.095 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420422 IEFGYIUOIPFNEI-QHCPKHFHSA-N 471.489 0.924 30 20 JCED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488360 NLPHAICBANTOMR-DHYKOVJISA-N 473.555 0.663 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1839801634 UDLDQNUQZNHRLU-HRAATJIYSA-N 470.613 0.797 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CSC(c4nc5ccc(O)cc5s4)=N3)C2)C1 1839810726 NTQFPDFSTITWDP-OPAMFIHVSA-N 486.575 0.954 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO3)C1 1840055102 FGPVKUFFNOSERN-UUOWRZLLSA-N 495.573 0.865 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)CCO2)C1 1840142816 ZERYTXUMSQVMGL-LYXWCMDISA-N 464.559 0.771 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)OC)CCO2 1840212307 FTJYPTXJAYVWOQ-PNLZDCPESA-N 453.536 0.394 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)n1cnnn1 1840476626 KPQYWAWBWFTWPN-YJYMSZOUSA-N 494.434 0.290 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840840630 GOBMFAKTPPBEAP-VGSWGCGISA-N 453.536 0.132 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2 1840854827 OUXANVRSCLMKRM-XMSQKQJNSA-N 453.536 0.257 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCO2)C1 1840887135 WWBAKBCNCWANHY-ZHRRBRCNSA-N 463.462 0.771 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1840906387 AHTAKTKDJBUXJN-YDIMBITNSA-N 478.590 0.454 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CC#C)NC(=O)OC(C)(C)C)CCO2)C1 1840907431 VCLOTKSNIHYBAX-KHCICDEESA-N 477.558 0.398 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1841602924 AXOJRLTYBRHSDN-HOTGVXAUSA-N 451.520 0.685 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)C1 1843169389 MJSWMPKUEWOQOL-HNNXBMFYSA-N 453.421 0.940 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1847100603 QPDNKFBQNGQOQM-QGZVFWFLSA-N 461.563 0.945 30 20 JCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C1 1847101049 ALHRGKSNSTZNGI-ZIAGYGMSSA-N 457.597 0.850 30 20 JCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CCN(C)CC2)c1=O 507087985 LRGJUNAVOPTSES-UHFFFAOYSA-N 470.570 0.986 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3csc([N+](=O)[O-])c3)c2=O)cn1 524274898 DYUANLBOUORJOQ-UHFFFAOYSA-N 499.530 0.634 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCNS(C)(=O)=O 524282091 PGXYCXPWIXIVBE-UHFFFAOYSA-N 478.552 0.485 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 609074609 XVAMRAJWGGEQRJ-UHFFFAOYSA-N 458.421 0.664 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 610927978 MLYJLOZWVSNXSA-UHFFFAOYSA-N 472.552 0.250 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCS(C)(=O)=O 729672896 NHUUJUFGCDJEHX-UHFFFAOYSA-N 469.947 0.552 30 20 JCED C[C@](C#N)(NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C1CC1 771823436 BMOUNISURKYEPY-WMLDXEAASA-N 474.333 0.440 30 20 JCED CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1316358273 YEKOUOXTTCLBOX-UHFFFAOYSA-N 487.586 0.584 30 20 JCED CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)Cn4cnc(C#N)n4)CC[C@@H]32)CC1 1451450532 SYFQDAUMMMGIFA-CVEARBPZSA-N 458.523 0.544 30 20 JCED CCOC(=O)c1c(NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c(C#N)cn1CCOC 1476381776 ZQUBJLOYJWJVDQ-UHFFFAOYSA-N 453.521 0.825 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1615881549 XNNOUMRTPUWRMI-FHWLQOOXSA-N 465.624 0.183 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)NC(=O)CNC4=O)CC2)cc1 1625121269 MHWNUXGRPZQFPC-UHFFFAOYSA-N 453.480 0.387 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1 1697708321 XUFJLLPDHFKTGF-UHFFFAOYSA-N 472.571 0.937 30 20 JCED CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1763369382 ZNRREPTWEXONMW-DEOSSOPVSA-N 467.574 0.959 30 20 JCED CN1CCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1(C)C 1769076879 ILQSERNQKYRPHR-LJQANCHMSA-N 494.666 0.377 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1779319114 VFIBXFSCUSTQLE-UZLBHIALSA-N 483.447 0.567 30 20 JCED NC(=O)c1ncccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779420090 MOKRAYZNBFURSV-IXENAGBTSA-N 473.530 0.837 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)cc1C#N 1779880521 ALAWOFGUHJORCP-XMMPIXPASA-N 478.509 0.992 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)NC(=O)OC(C)(C)C 1780338281 RQXWCGVZWWPRID-HXOBKFHXSA-N 489.529 0.786 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1781264042 OWTDGDYZLCKJAJ-SBUREZEXSA-N 483.562 0.601 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1783478921 TWMNVHOPKPRYHF-AQBJMCTPSA-N 464.563 0.888 30 20 JCED CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566913 AQQRIDGMLGLWBK-ZHRRBRCNSA-N 451.520 0.844 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784253009 COPBHFCGHVBQIU-VFNWGFHPSA-N 454.524 0.642 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1784783499 BRNSHARERWGWOB-BCYZHJNNSA-N 478.590 0.962 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785329034 ZBPQZYRCUIVDQP-BSZJXLGXSA-N 458.515 0.011 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)C=C)[C@H]2C1 1788758495 CJXUJFCKNPCKNF-FKSLSLAPSA-N 476.574 0.573 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cc(=O)nc2sccn12 1789138788 SFVKEIPWTGCNNA-KNIIRZAFSA-N 472.571 0.821 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789764207 CWCWWAZACQOECJ-HVTWWXFQSA-N 459.591 0.649 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327942 HGVMJEGROVNTPT-UJNZZBMASA-N 452.515 0.943 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C[C@@H]21 1790793018 OLFARQLEAQYAGO-QAETUUGQSA-N 451.520 0.446 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CC3)C2 1792490696 KVNADXBZLXFZBM-NOOKGOPLSA-N 452.511 0.633 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)C1 1793258735 ORZDOJMIJJEDNO-BBIADKPPSA-N 451.523 0.770 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)cc1C#N 1793620088 KXKDTHJGPWGRLU-NHKMSHSESA-N 480.521 0.864 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)[C@@H]1CCc2nc(O)nc(O)c2C1 1794109581 LZAFPZBYDDDBRO-QSNWEANLSA-N 462.506 0.634 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccccc2)CC1 1795276059 ZIMMSYZTWTUSQI-VTYHHJSWSA-N 459.568 0.299 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798352455 ZRZYNXAMQUIVEA-YYIAUSFCSA-N 461.519 0.970 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)N1CCOCC1)C2 1800025162 MJWUMQJFGLYBBQ-ZJQTUCFNSA-N 492.617 0.972 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804190383 NBTCYOSPYVDUSZ-UZLBHIALSA-N 457.487 0.149 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807026361 SGKDJLMBRXOPCI-SOLBZPMBSA-N 454.464 0.385 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1810278830 MDIZQGMEALPZMF-BIGGXTMTSA-N 455.519 0.111 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]cc2I)[C@@H]1c1cccnc1 1812881609 XCCQVBJFMULVBX-YVEFUNNKSA-N 493.261 0.817 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812905431 XERDIVHVVUECAM-TWFHAPMSSA-N 486.525 0.546 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814768117 QDHLVSZMAZWFRE-LZDMLGOCSA-N 475.464 0.309 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819776815 NQOCDPBZTGHFLB-PBOCHOLISA-N 452.537 0.591 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)NC(=O)c3cnccn3)sc2C1 1820022109 XVIFIKDWTOMKRL-MELADBBJSA-N 456.528 0.702 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)cc1 1829627324 CMNHGFHQACJNAE-RUZDIDTESA-N 480.521 0.262 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3OC)C2)C1 1829759572 HLFSKQHUCPJXHO-XSAUMEDDSA-N 478.933 0.672 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccc(C)cc34)C2)C1 1829766275 PLPICNALFJIRQS-UUMVVRSSSA-N 467.526 0.571 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(cnn4C)c3)C2)C1 1829766291 QBNIJVKWOSVZFR-POUSAUBHSA-N 467.526 0.502 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3CNc4ccccc4O3)C2)C1 1829770491 UKEYTAMBLWVOGD-VUCTXICCSA-N 484.553 0.564 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)s1 1829902426 QZSKWRBJVAJUOE-QFIPXVFZSA-N 455.540 0.960 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c(C#N)c1 1829956515 NYRCLDUMVNHLGG-MHECFPHRSA-N 470.526 0.092 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1830879973 DYSBIUFYKJRKBH-JTSKRJEESA-N 466.535 0.382 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C(C)(C)C 1831093653 MZSBSZRPYXJKLY-DHLKQENFSA-N 486.569 0.944 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831411581 YOHFDIWZZPOTDY-RXRGDLQPSA-N 453.536 0.955 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831863662 STETVVYINHJBMR-UZUQRXQVSA-N 475.546 0.705 30 20 JCED CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1832788820 GZGWAURMBUJEOW-NOIVPASESA-N 479.534 0.721 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@](C)(O)C(F)(F)F)CC2)CC1 1833073821 IWGYXMZYVRRJOS-FBQMEGEOSA-N 460.497 0.730 30 20 JCED O=C(CN1CCOC1=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1833386593 HSOHGUBTHYBUCK-UHFFFAOYSA-N 460.575 0.709 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C[C@@]45C(=O)Nc4ccccc45)C3)C2)CC1 1835348058 NQLNHENEDLCFCL-DPSWKAHMSA-N 450.495 0.657 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCSC(=N)N)CCO3)c1 1835644028 PBLABNGDSICWND-JOCHJYFZSA-N 459.572 0.964 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1835677841 OVUCOXBTXOKDCM-JOCHJYFZSA-N 481.500 0.595 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1835682710 RZMNLWYWZYOESM-YKSBVNFPSA-N 458.559 0.328 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836111716 YUCLVWBOJGFWQL-QHCPKHFHSA-N 474.583 0.724 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836171239 GJGVUYUMCFAACX-HXUWFJFHSA-N 474.562 0.915 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1837392355 DJVOOZJZLWUBSD-IXFSTUDKSA-N 453.580 0.567 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1837444282 VQSQYUFARMXSOD-XZEIMLRBSA-N 460.560 0.938 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1)c1ccccc1 1837612832 NEHYPQGJDCFTDL-WATLYSKOSA-N 470.570 0.233 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837757216 NIUHAMVSKSFHPW-UZUQRXQVSA-N 462.547 0.568 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131654 QGYPRNTURXOGEA-QHCPKHFHSA-N 491.566 0.472 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C)nn4C)C3)C2)c(C#N)c1 1839131676 RMVIOVZVEYKEQK-XMMPIXPASA-N 467.526 0.922 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138923 MDODIMHKCPVKEQ-KOSHJBKYSA-N 499.605 0.557 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](OC(C)=O)C(C)C)C2)C1 1839175112 POGGROINYMPQKI-SIKLNZKXSA-N 454.520 0.540 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1839176618 YMKWWOSEUDJLBH-QFIPXVFZSA-N 457.487 0.537 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)ccc1F 1839186548 BBGOCXWIXYTNRP-QFIPXVFZSA-N 486.460 0.501 30 20 JCED NC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)CCO2 1839346215 ZQYKFTVBTIUHIU-AREMUKBSSA-N 476.533 0.825 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccccc2C(N)=O)CCO3)c(C#N)c1 1839351740 KJHVUYPKMHUSFP-AREMUKBSSA-N 492.532 0.978 30 20 JCED Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401011 MTVURSWWIYFRDU-FQEVSTJZSA-N 489.330 0.833 30 20 JCED Cc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488368 NTEDRDHMXFEUDQ-HSZRJFAPSA-N 461.482 0.917 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839667495 UGYRSLFOQZQENP-GAJHUEQPSA-N 455.515 0.350 30 20 JCED C[C@H](N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C1CC1)c1ccccc1 1839751598 GSSYWMUGDRHZGM-VVMVZBAXSA-N 469.538 0.660 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1)c1ccc(O)cc1 1840222435 OSZAKCCFQJCYBM-NRYAXDJKSA-N 457.527 0.480 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2)c1ccc(O)cc1 1840264447 ZWXKNULNRFFIIT-IBVKSMDESA-N 495.532 0.271 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1840293850 YLUPKTDDGGXNTM-SIKLNZKXSA-N 452.504 0.131 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812445 REYIVSQPBVAATP-MHECFPHRSA-N 490.557 0.715 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2CC(=O)C2)C1 1846992555 FSQUHAANEHJJFJ-KRWDZBQOSA-N 478.546 0.974 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1847080929 SLAJQASLEVYSCX-JLTOFOAXSA-N 472.479 0.384 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)N(C(=O)OC(C)(C)C)C1 1848072289 SYWMLNUHYUFGHU-FHWLQOOXSA-N 496.630 0.484 30 20 JCED C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 18662710 KDAKJBZKEXSFHA-CRAIPNDOSA-N 497.595 0.536 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O 510224921 VPDVKRMRLPGVJG-UHFFFAOYSA-N 470.507 0.650 30 20 JCED N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)ccc1OCC(F)(F)F 514335482 GWPNXRMZBUIEOW-UHFFFAOYSA-N 483.447 0.441 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 516047973 RNCZJPFRCQIERG-UHFFFAOYSA-N 482.522 0.559 30 20 JCED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 516405018 CZQVOZJHWYPTCK-UHFFFAOYSA-N 484.538 0.690 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(F)c(F)c3)c2=O)cn1 522384441 XZKVHVYKUJJLNJ-UHFFFAOYSA-N 459.478 0.659 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3csc(C)n3)c2=O)cn1 522389442 JGNGWOOYJCEQKD-UHFFFAOYSA-N 458.569 0.536 30 20 JCED C[C@@H](c1cccs1)n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C)c1=O 522625033 HVNKFMQGQFCWSQ-AWEZNQCLSA-N 455.565 0.676 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)c(C)c1 524282781 KOYTUJFZGWKKLX-UHFFFAOYSA-N 474.608 0.201 30 20 JCED C=CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 619530505 WMRMOJDHRJKUDE-QGZVFWFLSA-N 472.608 0.672 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cn1 726577615 UCLHKWZGXVYODK-UHFFFAOYSA-N 485.591 0.457 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 727010883 PUPLKUUGXBUPOQ-MSOLQXFVSA-N 463.512 0.026 30 20 JCED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CCNS(C)(=O)=O)c2=O)cn1 727163960 JFKVPWXEWFVQHC-UHFFFAOYSA-N 499.618 0.796 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 728534317 IZXMXISWXJFBMQ-UHFFFAOYSA-N 492.598 0.190 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CCS(C)(=O)=O 729671953 YOMVJKOLDGYYJQ-UHFFFAOYSA-N 481.983 0.422 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCS(C)(=O)=O 729672777 HXVNCTNPGAXNBC-CYBMUJFWSA-N 463.537 0.981 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCS(C)(=O)=O 729672815 JTAZUQMUIYAJJK-UHFFFAOYSA-N 463.537 0.981 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC(F)F)cc2)c1=O 729673499 SOEBEOVUVJDQDD-UHFFFAOYSA-N 497.545 0.681 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3cccc(Cl)c3)c2=O)cn1 839215304 CPBMQNNYHYFBCF-UHFFFAOYSA-N 498.996 0.237 30 20 JCED CS(=O)(=O)NCCC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 915386551 SZVIOWHMSWZLDN-CQSZACIVSA-N 452.533 0.839 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(F)cc2F)c1=O 917356789 RAIXQXBKITYPEW-UHFFFAOYSA-N 485.516 0.889 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1314644006 TVXGLPKLGHVGSZ-UHFFFAOYSA-N 466.590 0.749 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2\S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCOC2)cc1 1325621995 NXIKRLPMUMXGNO-RBDWEEIOSA-N 466.585 0.839 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1360713693 JEJBOJDTKAQNNQ-YJBOKZPZSA-N 473.559 0.792 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1503406818 PEAKAZXSMSSFQE-GOSISDBHSA-N 457.560 0.909 30 20 JCED CO[C@](C)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C1CC1 1503916085 IAHDJNXFHRKOSX-WIBUTAKZSA-N 451.597 0.880 30 20 JCED CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1505124077 OIXQRRRUKYHNLN-UHFFFAOYSA-N 478.600 0.866 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1516975225 LFRDVDQKZBGTEG-UHFFFAOYSA-N 480.617 0.874 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)[C@@H](C#N)C1 1532608422 YDVUNZCMEHCDFN-AWEZNQCLSA-N 454.505 0.886 30 20 JCED CC(=O)N1CCC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)CC1 1596030270 CNPKHYPQHPWCAT-LJQANCHMSA-N 493.634 1.000 30 20 JCED Cc1nc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)ccc1C#N 1624771578 LGHHMVUNNMDRGV-UHFFFAOYSA-N 456.528 0.640 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1695910482 YNHGCMMOMYQIRV-HOCLYGCPSA-N 466.612 0.227 30 20 JCED CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1729309370 LPQMAMUEQFJMLK-UHFFFAOYSA-N 450.547 0.649 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1729740887 JPNVZORZMDJSJT-UHFFFAOYSA-N 487.565 0.874 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760374499 QPEGLOOMGOZJPC-GJZGRUSLSA-N 482.028 0.767 30 20 JCED CCc1noc(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1764979088 FVDLPYSBWANENY-VQIMIIECSA-N 467.527 0.960 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1770360763 QYJOFGIJDHLBJC-UHFFFAOYSA-N 457.560 0.861 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)C1 1779001881 JXZKEVRJCQPAJT-XDHUDOTRSA-N 473.526 0.997 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)cc2C1 1779020764 AKBVVWJAQUHNKQ-GVFUYMABSA-N 457.579 0.634 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1779039531 BSVJMPZGTPYYJJ-DPZZJQGRSA-N 450.586 0.801 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1779067168 PTIMSHBUWBJOPB-QHCPKHFHSA-N 472.498 0.285 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](COC)NC(C)=O)C3)C2)c(O)n1 1779312247 XPHOPGKMPQWQMU-AUSIDOKSSA-N 460.531 0.500 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780038710 JCQYSUYWXPXGIL-HOYKHHGWSA-N 481.557 0.499 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 1781701971 ZDXSSADDHYGPLB-ISNLERQRSA-N 488.585 0.507 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1782085682 FDPMXADGBVKVMU-FUMRIQNTSA-N 486.481 0.683 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(I)c(O)cc3O)C2)C1 1782112443 ZTWGJGSRLZBPEB-KRWDZBQOSA-N 456.236 0.779 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1783267942 IZRLXJQMFGTFOB-BMCPXHGSSA-N 478.546 0.525 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(NC(C)=O)c3)C[C@@H]21 1783530882 QLJDKFKFBFHZRP-PXYFQHJDSA-N 455.515 0.492 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(=O)OCCO)C[C@@H]21 1783531611 NCQYAKBFWOHPML-UPDDZZLWSA-N 485.537 0.287 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1783647375 VKPGWOVFPLANEO-IFXCNKOCSA-N 499.564 0.627 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)[C@@H](O)C1 1784379703 NEPHXWIYBDLJMZ-SSTJLMRISA-N 475.586 0.997 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1784486778 OPKMOJKXSVGYOJ-ANULTFPQSA-N 492.617 0.557 30 20 JCED CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1785286898 VCNHRJAZJJZCLB-IBGZPJMESA-N 454.888 0.275 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCO2)NC(=O)OC(C)(C)C 1785306923 YJMCCWCZGGDWHS-IERDGZPVSA-N 463.539 0.363 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CCO2 1785421153 MDNIWBPRULVUTJ-OZDBCNKYSA-N 469.604 0.892 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1785593830 GVMFILJTMKEBJR-QKCPIRFBSA-N 480.562 0.348 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncnn3C)[C@H]2C1 1785855401 RCZQAYDRGNWRFD-DAWKRRPCSA-N 474.562 0.878 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21 1788772448 ANFKCDGNRFXYRE-DVWBAYGPSA-N 458.515 0.311 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1789839252 JWEPSFYGJXEQJR-KNJMJIDISA-N 490.601 0.942 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc5ncccn5n4)C[C@@H]32)ccc1F 1789906582 MHXRSVPNNYPCMX-IEZWGBDMSA-N 463.473 0.971 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790652596 TWKDBZQPXSQXBN-LNLFQRSKSA-N 462.503 0.719 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793435942 KJSZHBIFRATNEI-XLKGFZLASA-N 450.536 0.004 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793943345 HZDHVEXMKBUHDU-RIUYPTKQSA-N 493.561 0.034 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n(C)n1 1794322328 FBVWLTXVPYNMMW-BASYENTBSA-N 463.535 0.798 30 20 JCED CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)C3)CC1 1795445016 PZPQOOXICSMBHO-CWPLJXCYSA-N 494.518 0.813 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)c1 1795732684 LCLAQDKXHDAAGI-NYYTWLDWSA-N 461.482 0.562 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1797707662 SDZVDQLGTMTWKF-CYGHRXIMSA-N 451.545 0.261 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCC#C[Si](C)(C)C 1797729498 VIGHOHCHCMHAJY-RCLSDMTESA-N 451.640 0.778 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)n1 1797838688 NDRMVGWGQWYDEK-UWBSXTGSSA-N 457.443 0.914 30 20 JCED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1)c1cc(=O)nc2cccnn12 1798493468 ABQZKJJEPRCPLY-RWTPIHKPSA-N 454.487 0.870 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799197231 VUWDHPFQTNCERT-ZBLLQYKHSA-N 467.563 0.395 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1 1799238042 VXJKNZLQKHVJBW-HGKCTWBKSA-N 474.514 0.205 30 20 JCED COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C#N)c1 1799803377 QTILOQVPJJXNJK-ACHVPNTGSA-N 489.569 0.766 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)C2 1800453329 DJKTVOYXKQLSNV-XEMDLRDOSA-N 453.536 0.157 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2)C(C)(C)S 1800906784 FWXBAUBJXHWECM-CYGHRXIMSA-N 496.634 0.860 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ncc[nH]1 1801210843 DJCVWIQDGCBPCE-AXVVYFOYSA-N 459.547 0.849 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2)NC(=O)OC(C)(C)C 1801930701 QVUINYPCLPJINY-YXZMJPADSA-N 478.590 0.962 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccccc1=O)C2 1802125757 RFXNDEAACYLSAW-UNJWAJPSSA-N 486.569 0.916 30 20 JCED C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1802295040 PIAFIDSCNOWBOU-RUZUBIRVSA-N 450.586 0.798 30 20 JCED COc1cc(N2CCC(C(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)CC2)ncn1 1803297693 QEIGFUXVFWJHFH-YADARESESA-N 492.536 0.891 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)COCCOCCOCCOC)CC2)C1 1804858108 ZVJJQYNAHUEOPU-WAYWQWQTSA-N 495.617 0.772 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1806695915 YRCLPGANDLWGGS-JPYJTQIMSA-N 469.519 0.958 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 1806699992 ZADLQNRFBDRTNJ-KRWDZBQOSA-N 489.573 0.686 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810277967 BJSTYBKJJCVVKL-CYAOMUEDSA-N 478.619 0.887 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1814062375 GBBFMDBKLBPZRS-SELNLUPBSA-N 464.526 0.631 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1819425326 XJVSIWJWTNDYCY-JKSUJKDBSA-N 456.503 0.699 30 20 JCED CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1)C(=O)C(=O)O 1819456514 KHLNSPPQJMWAKR-VUYHKVBESA-N 464.479 0.474 30 20 JCED Nc1n[nH]c(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=N/O[C@@H]2CCCCO2)CC3)n1 1819556954 ZJLGTHRSCGRWGN-IKBWJELASA-N 462.536 0.917 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671715 NCVFAOFIOHMDHR-AAEUAGOBSA-N 494.526 0.600 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)COCCO)C2)C1 1828580873 XCZOEPHMQNDDGK-NBGIEHNGSA-N 487.553 0.486 30 20 JCED CN1N=C(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CC#N)C3)C2)CCC1=O 1828627696 HTTDGPDDTLKIMR-DEOSSOPVSA-N 480.525 0.960 30 20 JCED COC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829383706 QJBDJVUEBCVJRC-QFIPXVFZSA-N 457.487 0.708 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c(O)n1 1829947977 DOYXUOQZONSKEV-MZNJEOGPSA-N 472.542 0.502 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830353351 YZVSDROQLPHHPU-JCYRRQQNSA-N 489.569 0.213 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c1 1830464651 QHKZBKIFJYEQLM-QHCPKHFHSA-N 452.515 0.629 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1830768897 JSQBPBOKZNAEQC-VKQHQMNQSA-N 452.552 0.456 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1831136511 IEXGFIZUXVSBIH-QFIPXVFZSA-N 468.551 0.678 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1831396757 IQMHOZXHYATJSE-WAIKUNEKSA-N 473.482 0.638 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 1831397036 OGEAPRQRRISKSL-MBSDFSHPSA-N 459.499 0.940 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1831397455 YOIDYOVEVRGDOR-UTKZUKDTSA-N 450.561 0.446 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1831410611 DXXDJPJODWJABY-QHCPKHFHSA-N 471.514 0.142 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1831997553 BYSLBULRPBXVPC-UZUQRXQVSA-N 493.561 0.846 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832208235 JZPUSIUYZUOTNQ-JTSKRJEESA-N 458.519 0.689 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1832452963 MCXMXPMNUJULDS-ZXYWRSMDSA-N 456.590 0.164 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1)c1ccccc1 1832479168 BKKZZVQRGXQZAY-NLFFAJNJSA-N 482.537 0.192 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)n(C)n1 1833442513 GNLYDFIAZCGQSP-BDNZGDGKSA-N 474.539 0.999 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1833451864 JIAXRPCCAOMIBZ-IBGZPJMESA-N 496.674 0.584 30 20 JCED COC(=O)CSCC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833478820 FTRDFEAPGNORGN-ZZAWEDPDSA-N 484.619 0.993 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)Cn4cc([N+](=O)[O-])cn4)CC3)CC2)c1 1833786041 BYUXZPRYZWMGEK-UHFFFAOYSA-N 454.491 0.876 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1835109932 KGTVUOMPBYPNRC-IFLIKKASSA-N 490.630 0.219 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1835677316 NEMFZQBHRJBFHG-DEOSSOPVSA-N 484.557 0.407 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)Cn3ccccc3=O)CC2)CC1 1835767604 GQOYINXVQZUHRI-MQHZAWOVSA-N 473.574 0.949 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4ncccn4n2)CCO3)c(C#N)c1 1836872888 OLGQOLKHKGVZKN-RUZDIDTESA-N 490.520 0.922 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)NC(=O)OCC)CCO3)c(O)n1 1837204499 XSTHDPSBCURDJG-WMZHIEFXSA-N 492.529 0.040 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1837402795 FGQANOKSQZSPNM-YKSBVNFPSA-N 469.542 0.910 30 20 JCED Cn1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1C(F)(F)F 1837440911 GGZWGARMBJIFOK-KSRKCLLLSA-N 486.495 0.981 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1837445867 AFZJKPOIVBRFGQ-XTVKVDEJSA-N 454.531 0.876 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490402 CKCXAAVEFAYEJS-DVECYGJZSA-N 471.558 0.432 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567362 GXULVTXUSLTYMK-JJDHCWFKSA-N 457.531 0.748 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837630037 ZHTDPDAQOLMEKF-NWBNNPRYSA-N 455.471 0.189 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837758967 HJXLRMCFUARBEF-ZHRRBRCNSA-N 463.535 0.796 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)ccc1O 1838973079 LUWFIHBNHCUONT-QHCPKHFHSA-N 460.531 0.753 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839133126 ZSSXCIPIMRJUKX-WYOOIXGGSA-N 477.583 0.724 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1839174634 OQEHCSXTFLSUOG-JOCHJYFZSA-N 457.487 0.537 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)ccc1F 1839186142 BWXSEDWOYKCEKX-XMMPIXPASA-N 474.533 0.419 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)cc1 1839361204 XHKPQTXFDVDKBY-HSZRJFAPSA-N 458.584 0.871 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839414008 IDDPIWRQMDSFAG-IGPUNGKJSA-N 475.502 0.842 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1839452730 SOOWPUVKBYTTKM-OAQYLSRUSA-N 454.443 0.882 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1839738091 JRZACHYKGGKCRI-BFUOFWGJSA-N 455.437 0.903 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)Cc4ccnn43)C2)C1 1839806948 IJJJFDRINOYSIU-MBSDFSHPSA-N 473.530 0.265 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C[C@@H](C[C@@H]4F)N3C(=O)OC(C)(C)C)C2)C1 1839810699 MIUUSHHZEHBRNP-NANGKKJLSA-N 465.522 0.812 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)NC(C)=O)CCO3)c(O)n1 1839876735 YNTHFLJOINGWLG-QMHKHESXSA-N 460.531 0.500 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1839882179 WBAFDNCYWMENFU-XDHUDOTRSA-N 472.542 0.940 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCCCC2=O)CCO3)cc1 1840103718 OVSGDSRWVIOGPF-VWLOTQADSA-N 468.554 0.960 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1840165794 KKCIEZTWGXCNNV-QRQCRPRQSA-N 459.524 0.504 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2)C1 1840172867 NRHGWNUKAOUPSU-UZUQRXQVSA-N 496.609 0.175 30 20 JCED Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840492208 HLWUNXFBZZHHQO-DVECYGJZSA-N 458.559 0.908 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c(C#N)c1 1840608760 UHSHNCZXQWKNRT-IKJKNFHUSA-N 455.511 0.458 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)cc1C#N 1840763933 ZPONQBRRWPBYFE-VWLOTQADSA-N 495.536 0.672 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818989 JBJUYSONCPAIIY-MNQSQUENSA-N 457.483 0.513 30 20 JCED CC[S@@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819710 AWYFQFYAHMVYEA-GHRAFVERSA-N 463.556 0.552 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1840907475 WNGLXVJHQITQGA-JXQFQVJHSA-N 479.574 0.929 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3)C2)C1 1840908607 CQPWLJZIMFZJKN-HTAPYJJXSA-N 462.503 0.661 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C)C2)C1 1840909605 XQKLYGUTBGZMMP-OPAMFIHVSA-N 493.586 0.833 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CN2CCN(C(C)=O)CC2)C3)N(C(=O)OC(C)(C)C)C1 1846449217 CTJZPKVPHRGBQT-FQEVSTJZSA-N 489.617 0.920 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 19298522 MUITUEZKIXFHHX-SFHVURJKSA-N 497.595 0.994 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 106055374 STUXZHRDYJGCRL-UHFFFAOYSA-N 496.524 0.552 30 20 JCED C=CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(OCCOC)cc2)c1=O 501256301 GYZGUZSAGNGVQH-IBGZPJMESA-N 469.563 0.919 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1=O 522124305 XYKCCYSDIHEASK-UHFFFAOYSA-N 453.434 0.491 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 522537225 ZUFABRHEMNEYMB-UHFFFAOYSA-N 477.502 0.935 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1-c1ccc(OC)nc1 559254869 SMSRZZVSVWNPTQ-UHFFFAOYSA-N 482.518 0.577 30 20 JCED COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c1=O)O[C@@H](C)C2 591000383 LWLOMWFGDVKPRU-AWEZNQCLSA-N 467.547 0.939 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc2c(c1)OCCO2 608855602 SELVGRXVFCMFOY-UHFFFAOYSA-N 479.562 0.685 30 20 JCED CC(C)[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCCC1=O 726039931 QHRDRWQKVCZECY-OAQYLSRUSA-N 476.555 0.581 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1 728534296 IIBIXUFXIULSBZ-UHFFFAOYSA-N 466.563 0.945 30 20 JCED C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 785578197 BQDAMPDMUAOTJC-CQSZACIVSA-N 469.523 0.947 30 20 JCED CSc1nc(C2CC2)cc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C#N 792734766 XQMLZHJWYBZISQ-LLVKDONJSA-N 452.514 0.722 30 20 JCED C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)Nc1ccccc1C#N 914668085 OGTUYOUVTQLGLQ-AWEZNQCLSA-N 456.480 0.863 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 914996139 VUHBUFJELXDYKY-UHFFFAOYSA-N 456.484 0.980 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)CC2)c1 918406751 ZOORZGACGFXKSC-UHFFFAOYSA-N 467.917 0.830 30 20 JCED CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 918822393 CWIJKGRQMABIDQ-SJLPKXTDSA-N 478.571 0.810 30 20 JCED C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N1CCS(=O)(=O)CC1 1136613149 JYHYMERQKQOREA-OCCSQVGLSA-N 452.920 0.326 30 20 JCED CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)co1 1290636243 JSGVMMMFBHLHRN-UHFFFAOYSA-N 452.514 0.548 30 20 JCED CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1315069135 RSNVLRWXUGGXKR-INIZCTEOSA-N 452.562 0.237 30 20 JCED COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CC1=O 1316123903 VUZQQUGNLSHTOO-FQEVSTJZSA-N 481.557 0.892 30 20 JCED Cc1n[nH]cc1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1510437361 QYKYMMCCQOLPHG-RHSMWYFYSA-N 450.569 0.871 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCS(=O)(=O)C1 1517039897 VNNBEZZNYMBLGQ-AEFFLSMTSA-N 478.600 0.722 30 20 JCED CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1606952950 VEGOJONSOOILEK-FQEVSTJZSA-N 452.581 0.830 30 20 JCED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1631745298 QZLWMULNTVNOEK-OAHLLOKOSA-N 456.528 0.957 30 20 JCED CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1710263646 AQJDSTBBWPHGSB-ICSRJNTNSA-N 457.627 0.619 30 20 JCED CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1710901324 MKSOKCNUMNQETQ-QGZVFWFLSA-N 460.564 0.315 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 1741133218 PFRMPYUZDCRWQT-WBVHZDCISA-N 467.596 0.656 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(N2CCOCC2)CCSC1 1751215781 UZGONJJPSAIANS-KFKAGJAMSA-N 487.627 0.538 30 20 JCED CC[S@@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766733713 JBDHEQBTTFUMRK-PBNKOMEISA-N 480.620 0.250 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2C[C@H](O)CN2)C3)c(C(F)(F)F)n1 1777757513 HNUSXNMSVUUVQY-JKXYVKTPSA-N 481.475 0.822 30 20 JCED Cc1cc2nnc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)c(C)n2n1 1779019586 RQWSRZBYPOBDBR-IGPUNGKJSA-N 454.535 0.656 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc(O)n3c2CCCC3)C1 1779573406 MIBRWVFEKMLFMP-YLKSCKIRSA-N 471.558 0.911 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1780334964 SUIXJRGZLFJHJO-OAQYLSRUSA-N 457.512 0.583 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)CC1 1781170166 SGCMHZMLQFERNU-QHCPKHFHSA-N 487.561 0.649 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSc2nc[nH]n2)C1 1782481333 CQBVZCNONDSSJI-FOIQADDNSA-N 451.549 0.920 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1783173178 LNPSLLNSZUZMKI-HXPMCKFVSA-N 453.421 0.940 30 20 JCED O=C(CN(CCO)CCO)N1CC[C@]2(C1)CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)CCO2 1783260734 WKAMTXHQPCDFNF-NDEPHWFRSA-N 491.588 0.817 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C[C@@H]21 1783530950 YARVSBGMNFDXBE-GLUQJIRCSA-N 473.486 0.450 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]4C3)csc2n(C)c1=O 1783683232 IDNXVIJMKJIPLO-BPUTZDHNSA-N 487.582 0.371 30 20 JCED Cc1cn(CC(=O)N2CC[C@@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)c(=O)nc1O 1785351987 ZQDGROCPLOLEDT-ZDUIWUOISA-N 472.523 0.588 30 20 JCED C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788627450 COOZTTBGNZQSMO-UINBSZBSSA-N 460.535 0.786 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1789853595 KMLVFUNIBRIVRW-OLUJBWPBSA-N 495.621 0.979 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnc1 1793938821 HUCMHVNBEYOQEO-SHJAMOMRSA-N 472.542 0.967 30 20 JCED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794506461 FYLMMGSTYWNHFQ-QSNWEANLSA-N 455.559 0.823 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)CC1 1795407979 KLPPZSFETRACIW-BJWYYQGGSA-N 462.547 0.642 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)CC2=O)c1 1795597692 UWSGHMPZTBATFK-XWQURZDVSA-N 497.596 0.920 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796142029 NWJYCOSPDDETFC-RCJHGTSTSA-N 474.514 0.613 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1797728789 GIOWFKUUDBEJDQ-CCWDJLKJSA-N 471.594 0.067 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1798471584 PJFQZOVQVQWCLE-BHNDSDRQSA-N 453.492 0.648 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798493533 NCMSGLQDFSNMMI-STEXWYFWSA-N 464.563 0.192 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1-n1nccn1)C2 1799306335 UOYHEVJYQHGAON-UPHUGPLXSA-N 453.499 0.980 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2 1799322257 FWWVQLAFFHYHRL-AJYBTWMASA-N 466.579 0.962 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801989966 GWALTIMLONTKEM-XZWCOCNFSA-N 469.538 0.978 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801990647 CSYLYONWHIIXSF-FZKCQIBNSA-N 465.503 0.559 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)c(C)nn1C)C2 1802124781 HWAPYVNOEBKHPK-KYHPRHEASA-N 477.537 0.987 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1802126646 MELJFUUGOUUSMH-IVSAIRAKSA-N 478.575 0.403 30 20 JCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1802158789 NAKJYXDXKLBKFQ-UPHUGPLXSA-N 478.546 0.730 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)nc3cccnn23)[C@@H]1c1cccnc1 1803550783 SADVWGPEJUIAEC-RADWXHQJSA-N 460.494 0.842 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)NC[C@H]2CCN(C(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)n(C)c1=O 1804384982 BUYHXLQGJOMHID-SJLPKXTDSA-N 492.540 0.084 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)[C@H]1c1cccnc1 1808393039 KRZBKIWQXWLZQO-ZEZALWCBSA-N 484.582 0.748 30 20 JCED COC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819845830 KQRQEKSXWCWKQX-WBVHZDCISA-N 462.572 0.905 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)CC1 1826195678 XHUXMVZNNJSJHH-LIXSYLKWSA-N 468.558 0.718 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1829266952 HYRNQOWSTJCPMA-DEOSSOPVSA-N 463.494 0.329 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(=O)N(C)C)C2)C1 1829343158 SNAFZOZJVQDZEC-OPAMFIHVSA-N 462.572 0.845 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)cc1 1829903279 NSTUPTVUBRYDMR-WEHRJKGCSA-N 452.511 0.392 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5cccnc5n4)C3)C2)cc1 1829903570 YIRUPWOHNUEARC-DEOSSOPVSA-N 460.494 0.914 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1830573607 MQXXDGJWCPIJMD-JPYJTQIMSA-N 467.563 0.522 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1831391890 GUDHQKBNKGPQHF-HJPURHCSSA-N 456.499 0.164 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ccc(OC)nc34)C2)C1 1831396919 MMELYLWORVZVOD-QMHKHESXSA-N 456.499 0.680 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1831490707 JFIMIIJOFMYRBS-WMZHIEFXSA-N 476.599 0.901 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1831950901 AXXSHORNYVUTQO-XMMPIXPASA-N 457.527 0.859 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CCO2 1832035980 GGTDDFIWLPBLMY-HXOBKFHXSA-N 467.563 0.784 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832162731 QWAMWNPYROGYLM-ZWKOTPCHSA-N 452.426 0.266 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(OC)n3)CCO2)C1 1832824203 QAVOIEDESYVTJJ-DEOSSOPVSA-N 475.542 0.989 30 20 JCED Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1833039753 VHGRTZABABPYSE-FKTOORKZSA-N 463.535 0.485 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)CN(CCO)CCO)CC3)CC2)cc1 1833041668 DIPILBVTOZJISD-UHFFFAOYSA-N 485.629 0.349 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n(C)n1 1833446904 TYHYNYMUKDKKFO-HSZRJFAPSA-N 479.497 0.560 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nc1 1833599684 LXZVOSFROLXKCX-YQNSVDCASA-N 493.586 0.027 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834560749 QGRVMLBCCYLUHF-QHCPKHFHSA-N 457.531 0.465 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CC(=O)N(Cc5ccccc5)C4)C3)C2)CC1 1835338266 CKKHUCWFWFJZTK-CJFMBICVSA-N 466.538 0.795 30 20 JCED CCOc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cnc2c1cnn2C 1835342026 IFGAVSWVHCOELV-QHCPKHFHSA-N 468.514 0.741 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1835354994 NTJCFTQPRJIBGO-JOCHJYFZSA-N 480.562 0.509 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835640832 WBXIJKSCHWFCMV-VGSWGCGISA-N 486.635 0.604 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1835674306 IPKZWYHAYQCPBP-HSZRJFAPSA-N 454.531 0.915 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835675579 WVBYOESXPYGPDL-KBMIEXCESA-N 489.617 0.516 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731957 WSLBMNHCNSBIAD-UPMNJHNBSA-N 463.627 0.737 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c(C(F)(F)F)n1 1836321803 KHKFBKMYTYMMFE-LJQANCHMSA-N 479.419 0.334 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837135413 GIHMZWKKTURYDT-XMSQKQJNSA-N 461.540 0.846 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1837302618 BJQUJTHWGFACLT-WAOWUJCRSA-N 457.593 0.539 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1837394840 KLUOIJUBZMWALU-GBXCKJPGSA-N 469.542 0.910 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1837399671 ZCUXUNRRDVEYMC-XDHUDOTRSA-N 471.510 0.465 30 20 JCED O=C1NCc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)ccc21 1837491713 WGSFAGYMHIWHIO-AREMUKBSSA-N 481.549 0.699 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2)c1ccccc1 1837518419 LHVQSYFSTBAUTO-GGBSJPMNSA-N 485.581 0.291 30 20 JCED Cc1cc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)/C=N/O[C@@H]2CCCCO2)CCO3)no1 1837531758 VZRSKABFWIJSKH-WELCAWPPSA-N 462.503 0.982 30 20 JCED CN(C)c1cncc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837561586 WEMUMTXBHCHPKY-SKZKPWFZSA-N 455.515 0.930 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837563382 XLYMBJAGQVIXJX-JBMWNJKUSA-N 452.471 0.740 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1839130586 IWQUQIZBGFKBKI-CPJSRVTESA-N 492.617 0.701 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1839165635 PZKZAFFVRJCCBM-YZZKKUAISA-N 482.578 0.437 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191394 GQZMDACZHJMJEN-DQMJNTIXSA-N 497.589 0.718 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210447 PHXCGZSXZCDRAU-IIBYNOLFSA-N 491.532 0.930 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2)C1 1839805334 JNBLOYOWDYCBMV-CLOONOSVSA-N 491.585 0.882 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CC1 1839896967 OLQQCWZHBFSZRQ-KTBYTZPXSA-N 462.524 0.897 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncsc3Br)C2)C1 1840041823 JSAPLYHLFLHHFF-INIZCTEOSA-N 458.290 0.064 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840077702 GYFVFASBBDVKMS-HXUWFJFHSA-N 464.506 0.724 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CC2(O)CCC2)CCO3)c(C#N)c1 1840595161 NKGUKGLCOQMXFA-XMMPIXPASA-N 457.527 0.871 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)c3ccccc3)CCO2)C1 1840901880 WVCTWSOHVFPPSE-KNOQFWTLSA-N 473.570 0.834 30 20 JCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CN2CCN(C(C)=O)CC2)C3)c(C#N)c1 1845139008 QZORSMGZTBKKDA-UHFFFAOYSA-N 453.543 0.477 30 20 JCED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2)NC(=O)OC(C)(C)C 1846933411 ABODXSUPICZTTM-JKSUJKDBSA-N 451.568 0.642 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)C1=O 206118255 LOFZIVDJVZIBFJ-GXDHUFHOSA-N 460.443 0.955 30 20 JCED CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCNS(C)(=O)=O)c2=O)c1 524282058 OGHCPTMWAGGHHE-UHFFFAOYSA-N 490.607 0.028 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(N)=O 608912025 KSSFPYMEUQMAIV-UHFFFAOYSA-N 453.351 0.977 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CC1 728534016 CYGWJZLENOJZDL-RTBURBONSA-N 490.626 0.869 30 20 JCED CN(C)C(=O)c1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 728641373 BNWJFJKIMWHNRA-UHFFFAOYSA-N 484.534 0.950 30 20 JCED N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl 731234242 ACOQGLBYPKSRMO-UHFFFAOYSA-N 456.908 0.427 30 20 JCED CCn1c(=O)c2ccccc2n2c(COC(=O)CNS(=O)(=O)c3ccccc3C#N)nnc12 800754845 REDGSZKVQOGFKD-UHFFFAOYSA-N 466.479 0.957 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCC1(N2CCOCC2)CCCCC1 805943185 YIXDHLYOJJNVQD-UHFFFAOYSA-N 478.571 0.531 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccc(OC)cc1 837427537 PLPHBAUBRDKVLA-UHFFFAOYSA-N 467.551 0.160 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)c1 857836112 KKVVRMNAZZSKLT-MRXNPFEDSA-N 457.512 0.282 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCNc3ncccc3C#N)CC2)C[C@@H](C)O1 916640226 PAHUCELYBOEUFF-IYBDPMFKSA-N 451.553 0.046 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 918439423 KLELIHBLHLUSLP-MOHJPFBDSA-N 493.567 0.402 30 20 JCED COC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918456726 UIQKBOFMESHXJR-PGMHBOJBSA-N 451.505 0.349 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(=O)N(C)C 918729970 XMCSQQYLHZVDGM-UHFFFAOYSA-N 476.562 0.483 30 20 JCED Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)nn1-c1cccc(C#N)c1 1441239495 RJCZTKKWCLQEGY-UHFFFAOYSA-N 457.560 0.302 30 20 JCED CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1541261883 HZOYBSCCHJAOPZ-UHFFFAOYSA-N 451.531 0.980 30 20 JCED N#Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2=O)cc1 1674717280 ZRDXTAGFQGUSLK-SFHVURJKSA-N 451.487 0.536 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1695603786 UPJCETLFWZGVLT-UHFFFAOYSA-N 482.589 0.807 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1697023783 VAUFJONTMSMPMQ-UHFFFAOYSA-N 455.548 0.874 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1763197567 FXPSSPBMYPJLJO-FTEYMNFISA-N 494.666 0.564 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779364411 OSZTVGVPHGFXHY-KBDRKHKJSA-N 485.589 0.581 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)c(C#N)c1 1781176209 IJBXQBKXIQHDAF-GOTSBHOMSA-N 459.499 0.555 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781250649 DCHTVMMKHUIXLD-MFSJNOQSSA-N 472.542 0.822 30 20 JCED CC#C[C@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2)c1ccc(O)cc1 1782259305 GOCWFFUVIWINME-INGGGZDUSA-N 484.597 0.996 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1783531161 FEUGTQMBNFNEGT-ADHYBHLCSA-N 458.559 0.226 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(C#N)cc4)[C@H]3C2)no1 1783605673 YZKUNFCHZLEVJE-ZJOUEHCJSA-N 465.510 0.807 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC)NC(=O)OC(C)(C)C)C2)C1 1785339880 FUGGEWNXPLFXEB-CBBCZIBFSA-N 464.563 0.978 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1785577509 XURKPICHJAUMGT-MHECFPHRSA-N 487.557 0.861 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785587919 WSAVBZPFTYRBCN-PDWMJMLSSA-N 466.560 0.879 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785608134 VIWJNCGOEKFLMG-PBPSECFOSA-N 482.578 0.158 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(OC)c(O)cc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c1nc3ccc(C(F)(F)F)cn3n1)C2 1793342745 OJBOSZFTMMTURL-ZJOBFFGXSA-N 465.432 0.990 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795582844 BJBHAEVQHPDYMR-AVEIZBFRSA-N 454.568 0.409 30 20 JCED CC(C)(C)OC(=O)Nc1ccc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)ncn2c1 1795926126 VGRROIYSHSRYJZ-YVWYUNDQSA-N 497.508 0.973 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1797119423 BTLFMPHSZPWZGT-RKGSWTEASA-N 495.617 0.767 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798352454 ZRZYNXAMQUIVEA-YVSFHVDLSA-N 461.519 0.970 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 1798691034 BLBOPJLCUFJNCE-FPPGBKCQSA-N 487.557 0.707 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)C3)c(C#N)c1 1799237522 QHTRLSFMBSJYSI-APGOHJEMSA-N 485.566 0.501 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(Br)ccc1O)C2 1800778884 VDAQRJVPQIJUSZ-DBWKPXFBSA-N 451.273 0.375 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)C2=NN(C)C(=O)CC2)[C@@H]1c1cccnc1 1802478899 WRGXYPLFGSQKRD-HTNYWEHUSA-N 452.515 0.554 30 20 JCED N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1804126801 INPBTPRGOPRIFF-REPLKXPHSA-N 460.556 0.306 30 20 JCED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)c(=O)nc1O 1807151777 OUXBRCROBINSLL-UYAOXDASSA-N 481.557 0.640 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)CC1 1808164334 CUAHPVANVQUVNR-UFYCRDLUSA-N 499.616 0.914 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1812716898 IANXYARMVUCJHG-WMZHIEFXSA-N 469.517 0.699 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813179491 WOENOQBSIPDQMA-CLOONOSVSA-N 473.489 0.963 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)CS(C)(=O)=O)[nH]n1 1814434369 SKXJDNBAFFSEAC-LRPNZCEASA-N 451.549 0.941 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCNC4=O)sc2C1 1818910049 FFNPQRISZODGMX-FMFIFOJESA-N 483.554 0.557 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNC(=O)c2cc(C)on2)n[nH]1 1819464849 KZVDNWMKNDXJCX-ZPUOCTKUSA-N 469.502 0.987 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)NC(=O)OCC)sc2C1 1819470814 QMDNEKBUNQTVAI-DIFFPNOSSA-N 454.505 0.629 30 20 JCED N#Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN(CCO)CCO)[nH]n2)ccc1F 1820915747 YWMCJFZQHLLULZ-FQEVSTJZSA-N 472.521 0.942 30 20 JCED CN1CCN(CCC(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCN3C(=O)OCc3ccccc3)C2)CC1 1828805778 CRGJYRZYDBHOFM-SANMLTNESA-N 496.612 0.990 30 20 JCED CN[C@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1)C(=O)O 1828990363 NVMVSZFJJGPFEF-WZONZLPQSA-N 471.514 0.415 30 20 JCED N#Cc1ccc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C(O)O)C3)C2)cc1 1829195316 DXYXDUWDNCAUJH-VWLOTQADSA-N 478.505 0.935 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCN2C(=O)OCc1ccccc1 1829244554 VZMGVXZLESWJEC-RUZDIDTESA-N 492.536 0.999 30 20 JCED CN1CCC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1830006627 YFPIRDFRQHEZBF-HFUKASDHSA-N 466.579 0.704 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c(CC)c3Br)C2)C1 1831393507 MWMRXLKUHJINLA-BTYIYWSLSA-N 497.390 0.853 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1831398556 HAGKNIMSUONLGX-HJPURHCSSA-N 454.483 0.444 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1831402389 XMJXBNHESCJPPN-ZKCPLKSISA-N 491.585 0.594 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831483864 QHMRBQCIYIUFLI-QYWGDWMGSA-N 475.608 0.283 30 20 JCED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)c1=O 1831889764 CJTMKYPCXMZADC-XMMPIXPASA-N 450.495 0.835 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)Cc4ccccc4C3=O)CC2)CC1 1833337336 USHOQSNXTAWUPF-UHFFFAOYSA-N 494.548 0.261 30 20 JCED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1833448795 NPSXEUJNZJEIMA-INIZCTEOSA-N 460.666 0.805 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CC(N)=O)CC2)CC1 1833522725 AZVCCDQEGOZEJG-FXAWDEMLSA-N 491.633 0.986 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCN(C)CC4)C3)C2)c(O)n1 1833700446 YECIOFRTHCJBAD-RUZDIDTESA-N 487.601 0.223 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833886405 UFDIABSRIXEQBI-ZGNKEGEESA-N 490.561 0.355 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)c1cccc(=O)n1O 1833961803 GAWJULMUKJGVNE-ZHNJOBQTSA-N 475.546 0.800 30 20 JCED COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1C 1834577017 KFBKJOIIEQHQNE-QHCPKHFHSA-N 459.547 0.751 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)Cc3cccnc3)CC2)CC1 1834715328 UVHWIOYABYZUOG-QFIPXVFZSA-N 469.634 0.805 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1834716996 FHHWDYNIHARPDF-UHFFFAOYSA-N 473.578 0.414 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)C[C@H]1CO2 1834766075 VESIBBDWNITWNW-SSKFGXFMSA-N 464.519 0.135 30 20 JCED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797626 QQQPCZGAAPJUES-UHFFFAOYSA-N 463.489 0.814 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cc2NC1=O 1835345682 UHLRQTSOJNZOOC-WNSKOXEYSA-N 454.483 0.780 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1835668141 UOZASNVQRQWQDT-OAQYLSRUSA-N 465.938 0.792 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C(C)(C)C)c3)C2)C1 1835673042 SHXUITRPNPFITI-QHCPKHFHSA-N 460.579 0.990 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835768684 CIVVWDVTPPPOFT-BRGNJTTMSA-N 481.594 0.238 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836174148 GEQINCWVSRBVPD-DQMJNTIXSA-N 489.573 0.809 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837318996 FZDZZUCWTYHTKK-GOSISDBHSA-N 466.409 0.058 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1837401956 APEMGACTWZAYCE-FEQYIJDPSA-N 450.532 0.359 30 20 JCED COc1cccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837441068 PRPWCSIZUWZXHS-DGEAWOGYSA-N 459.547 0.561 30 20 JCED C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441959 JYSYTWOORXAXBP-CBWPXHNPSA-N 458.563 0.810 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1837525474 WUXZTIJLISVLAU-GKBNZUOUSA-N 499.414 0.327 30 20 JCED COc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1F 1837526246 CHUYWMJWDQGDLU-RTAVMZEGSA-N 480.493 0.828 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1837526625 VCLULWGKLOLRGH-GLCBDYMLSA-N 468.457 0.959 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nc2nccn12 1837529960 HGRFBHULVIGRGN-SJAQWOJPSA-N 486.529 0.637 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1)c1ccccc1 1837615818 NKQGCWOZSZUGHZ-IZIIKQMZSA-N 466.542 0.888 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cn2[nH]cnc(=O)c12 1838471305 LUNODCUNOVOSHF-DEOSSOPVSA-N 476.493 0.587 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1838508736 YZZQWJFKUKPLTN-HNNXBMFYSA-N 460.535 0.989 30 20 JCED Cc1nn2cc(CC(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)nc2s1 1838732425 QEBNVICQBHCPDK-OAQYLSRUSA-N 469.527 0.612 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5c(c4)NC(=O)CS5)C3)C2)c1 1838740461 MHEKKAXEGKPZQN-QFIPXVFZSA-N 482.522 0.709 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CC1 1838743015 XQOFCZICGKFPMS-QHCPKHFHSA-N 473.530 0.825 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1 1839130744 QUEHCRJZCOTQHF-DVECYGJZSA-N 480.606 0.701 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nccn4C)C3)C2)c(C#N)c1 1839132115 STZNYGZXLPDEGD-HSZRJFAPSA-N 453.499 0.613 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1839174757 VNZJYMSSDJJYJY-JPYJTQIMSA-N 461.515 0.827 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1839224942 TWZDNHTYDXLOSR-OXQOHEQNSA-N 451.549 0.826 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839772588 FEOLMQJISXJFJH-GCJKJVERSA-N 450.532 0.414 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839988121 XHHGNOVOUMQYRZ-AOMKIAJQSA-N 455.552 0.541 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840052131 SXODWIFBYWAOPV-ZBSGDCQRSA-N 491.585 0.927 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2cncn2)CCO3)c(C#N)c1 1840420260 FVPYDWALHWFJLB-HXOBKFHXSA-N 468.514 0.418 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1840480069 MNNBDCGCFXRTTC-WWEVIYMKSA-N 482.541 0.593 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820711 GKRABTNLDIMPPZ-RUZDIDTESA-N 481.553 0.987 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1840957786 VBOIBYYODWUFFM-XMMPIXPASA-N 456.495 0.722 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 1841427270 XUSGIFICEIDFRR-QWPQOLDESA-N 462.547 0.684 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1841476151 GJYOJGYBDXYIJH-ACRUOGEOSA-N 497.596 0.920 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1841747406 PYSMBIWNIINTLB-WMZOPIPTSA-N 452.552 0.310 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)c2cccc(C#N)c2Cl)C3)n(C)c1=O 1841985040 ORUXGKVSNOMZPM-UHFFFAOYSA-N 495.927 0.476 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1844386136 KVJOPUKRYNDHFF-SFHVURJKSA-N 491.589 0.882 30 20 JCED C=CCOCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 514478888 PKSZJLQNIFONHN-UHFFFAOYSA-N 452.577 0.991 30 20 JCED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)c1 524281026 BPJGLGQPXWCEMF-UHFFFAOYSA-N 490.541 0.925 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc3c2OCCCO3)c1=O 603986271 QQEYHPCJORRTGJ-UHFFFAOYSA-N 496.589 0.209 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCNS(C)(=O)=O 608912525 PXYLTVXJQFZAOY-UHFFFAOYSA-N 483.015 0.388 30 20 JCED COc1ccc(OC)c(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn(C)c3)c2=O)c1 726577810 PSWLDUIHUFYARG-UHFFFAOYSA-N 465.535 0.775 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3c(C)nn(C)c3C)c2=O)cn1 726961543 KANMYHIJMYZWAW-UHFFFAOYSA-N 450.524 0.435 30 20 JCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C3/CCCN3C)cc1)CC2 727232031 VKZUYZFJMPVGHO-VKEPEHDUSA-N 459.532 0.469 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)CC1 728530738 QKBJSDHZIIMGDS-UHFFFAOYSA-N 460.325 0.499 30 20 JCED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2CCCNS(C)(=O)=O)cn1 730721806 KOBIXWOOZJBRSX-AWEZNQCLSA-N 493.571 0.780 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)o1 915249757 LKBANBUPYOQMAN-XOBRGWDASA-N 467.500 0.961 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)n1CCOC 916198272 JAVSCQYPPCNSLZ-UHFFFAOYSA-N 498.517 0.990 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 916694291 RRSZVVSMNHOFRJ-CLCOLTQESA-N 462.576 0.928 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 917384874 IGDFTFOIVLZXBT-UHFFFAOYSA-N 487.563 0.785 30 20 JCED Cc1ncc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)s1 917765564 SYIVQDSLEXJSDE-UHFFFAOYSA-N 461.613 0.282 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccco2)cc1 918253704 XZLFMYFXWTWBTQ-ULJHMMPZSA-N 461.500 0.577 30 20 JCED CN1CCN(c2ccccc2NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 918309892 KDGCQFOLDMSWQT-UHFFFAOYSA-N 496.593 0.782 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c1 918767180 MBFKULBNBNPMED-UHFFFAOYSA-N 475.508 0.334 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1295084598 UKJBOTKXTZRCPU-UHFFFAOYSA-N 455.519 0.502 30 20 JCED CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)N2CCSCC2)CCOC1 1296527092 NIFXWURJYJVYIA-LPHOPBHVSA-N 472.637 0.905 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NC2CCCCC2)C1 1316354649 GZAYIUSPAILTAF-UZLBHIALSA-N 483.570 0.502 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359077172 WGLHHJLNYCDPGO-NEPJUHHUSA-N 470.415 0.810 30 20 JCED CCOC1CC(O)(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1502957481 QCXFGLUALFOSBQ-UHFFFAOYSA-N 468.562 0.940 30 20 JCED CS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1519524644 JERFWZSGLIFXDQ-ROUUACIJSA-N 479.584 0.674 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(CO)c2)C1 1555813938 VNBCUEBYYMWVBN-XLIONFOSSA-N 464.523 0.594 30 20 JCED C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCCn3cnc(C#N)n3)cc2)C1 1561547678 QDJOOPPZUBCMDP-GASCZTMLSA-N 452.562 0.795 30 20 JCED CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1611804265 NVTIQBLMZYEGAC-HOTGVXAUSA-N 454.553 0.156 30 20 JCED CCS(=O)(=O)NCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1617395955 OXVXJJSCISNDQE-INIZCTEOSA-N 461.596 0.987 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2COCCO2)C1 1620170779 LQSXWRJMVRWFPJ-DLBZAZTESA-N 454.553 0.156 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1690229315 SRECFSYBUMFBMK-WFASDCNBSA-N 463.333 0.962 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](c1ccco1)N(C)C 1706887790 REYIWFUKCBJFCM-SZMVWBNQSA-N 476.607 0.961 30 20 JCED CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)N2CCSCC2)CC1 1706937174 RTQHKIBSFUYVBU-UHFFFAOYSA-N 481.648 0.909 30 20 JCED CCCN1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1728156387 USJXLERZVFTYPK-NEWSRXKRSA-N 464.640 0.939 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1728684905 YNLXGRPXNIZSQY-OAHLLOKOSA-N 467.502 0.716 30 20 JCED CCOCc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1728972983 ZMGZAWRJWVQOJT-WOJBJXKFSA-N 490.586 0.925 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOC(C)(C)C1 1741803538 RBFGPKSEXMOVDA-DLBZAZTESA-N 469.612 0.460 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1746512147 NUWDLRSWOOLUSS-UHFFFAOYSA-N 471.587 0.652 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(F)(F)F)C1 1750211695 RGCDLEWBENDDNE-KGLIPLIRSA-N 463.486 0.350 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2)n1CCNS(C)(=O)=O 1752282228 UKMSCKWUYGJOHM-MRXNPFEDSA-N 467.559 0.871 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 1767509894 JVMCCYWUSQQGSL-QFIPXVFZSA-N 473.603 0.649 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2 1779004991 HWWXGUHGEFAICH-QFIPXVFZSA-N 453.656 0.154 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779074379 QBLPSKBDGWYQFQ-AUSIDOKSSA-N 464.515 0.010 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779316880 GQOZADGASOOFAV-AVRDEDQJSA-N 454.487 0.029 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779419850 JQFSLJBVRLZSQD-JVBFROTCSA-N 473.592 0.710 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780039801 IZQZSZRDLMVKAG-QZTZHPFYSA-N 469.542 0.790 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1780385842 XXUSPIVCBDPNHF-GYLQWBMOSA-N 450.499 0.569 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1780738300 OSTXDVQVTOXRSX-BVZALQNUSA-N 483.562 0.853 30 20 JCED C[C@H](CN)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781169928 FBNVKUAWSWKCON-UZUQRXQVSA-N 463.579 0.952 30 20 JCED C[C@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170235 XWHSXCMIPJJTAH-SBUREZEXSA-N 477.562 0.492 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781984626 XZRARWIUAAYGMT-MCEAPILBSA-N 475.542 0.701 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3c(Br)cc(F)cn3n1)CCO2 1783565679 QDZCJGCHMMGXGS-GOSISDBHSA-N 480.250 0.162 30 20 JCED C[C@]1(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCN(C(=O)OCc2ccccc2)C1 1783567781 ZKJBTCJVMQJZHW-LOSJGSFVSA-N 483.521 0.953 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783682494 PCMWPJPXLQGGMA-RUZDIDTESA-N 496.601 0.211 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]3C2)[C@@H](O)C1 1783682856 YFBFEGYARLAAEN-ATIWLJMLSA-N 464.563 0.744 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)CCO2 1783901463 QCSZBTHDDSBTKW-UFNANVBGSA-N 455.577 0.913 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784007789 RAKOQOWKGXJUEC-NLSFWIRASA-N 465.547 0.227 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787512184 XYQPJPOCDQXEET-NKCWYTJXSA-N 469.523 0.669 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(O)nn4)C[C@@H]32)c(C#N)c1 1789840227 RDSKFTUJDCRQNP-QSFXBCCZSA-N 451.483 0.898 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nccnc4C(N)=O)C[C@@H]32)c(C#N)c1 1789841553 WEFLDQYXPCAWBG-SNRMKQJTSA-N 478.509 0.292 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790143351 UYSHQGCMYQTMRJ-CMOCDZPBSA-N 471.510 0.841 30 20 JCED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1790254960 SZBJFHUNFDMTPG-NUTKFTJISA-N 483.930 0.393 30 20 JCED C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)[C@H]2C1 1791192546 SJZNCOJMHCXFLV-UVPYHEFZSA-N 459.609 0.949 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)ccn3C)C[C@@H]21 1792256747 JFUGNOSRVIRCLZ-WBKMXMRLSA-N 486.569 0.895 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccn3C)C[C@@H]21 1792261190 BMDHWDXIXNVSIE-XSLAGTTESA-N 459.547 0.930 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3)C[C@@H]21 1792262004 VLBUMZPDGVICDS-VJANTYMQSA-N 457.531 0.987 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792557097 DJEMLPDPAVWLMV-XAPVIXHLSA-N 485.585 0.932 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796404081 DNCBEBZVQNDITC-LMKFDNDNSA-N 490.517 0.991 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N(C)C(C)=O 1796458498 CVMXSZZTKKKQMX-IQZDNPOKSA-N 464.563 0.359 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NC(=O)NCC)c(O)n1 1797695129 XJDSJCOGSFXQBR-GGXPGOJBSA-N 459.547 0.817 30 20 JCED CCOC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)CC1 1799885333 BQGSSPXUMMTLGN-JLVBRIDZSA-N 451.483 0.981 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)C2)N(C(=O)OC(C)(C)C)C1 1800527410 GTQLVLARBRQGMI-LVEJAMMSSA-N 462.547 0.278 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCOCc1ccccc1 1800848269 PZWAIECDYJEQLE-ITAIVJFTSA-N 488.581 0.864 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1800982003 UQAYXPQLNXFTHA-LUSFBHQCSA-N 477.649 0.556 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1809669797 XGICUTKIQQSGIP-QNWVGRARSA-N 471.602 0.825 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C(=O)OCCO)[C@@H]1c1cccnc1 1812877459 JGKJMHJIXBNSAL-HTAPYJJXSA-N 465.462 0.638 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879048 OVFBILOJNAZIQO-TXPKVOOTSA-N 460.487 0.061 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)[C@@H]1c1cccnc1 1812883283 ZCQGBFXZEYBXOH-HOYKHHGWSA-N 472.457 0.919 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816673567 CZIBPBARARKYJE-JTQLQIEISA-N 472.487 0.004 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC3)ccc1F 1822960223 PZYKQUWQXXUYQX-ZDUSSCGKSA-N 470.486 0.860 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828522738 OAPQSMHKOLWNBN-VWLOTQADSA-N 499.564 0.448 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1828883029 VZCSXUZVHIUYQZ-PMACEKPBSA-N 469.648 0.910 30 20 JCED Cc1cn(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)c(=O)nc1O 1829638286 XFOCOYIPMMATKY-VWLOTQADSA-N 495.536 0.218 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1829766081 KLQCBUIAUFOWPZ-GYLQWBMOSA-N 453.499 0.443 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccccc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c3cccnc3)C2)C1 1831405730 IBIHMVCSQDIMNT-HSZRJFAPSA-N 460.531 0.251 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1831482367 GUACVWZFLVOPJI-HOIFWPIMSA-N 489.635 0.673 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1831997471 AZAYNNZRFYAFLI-HJPURHCSSA-N 491.545 0.722 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832162730 QWAMWNPYROGYLM-ROUUACIJSA-N 452.426 0.266 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)c1 1832380629 IASNQMKYWXBPMU-XDHUDOTRSA-N 467.526 0.992 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1833564241 VLYQPZFBCOATSM-RUZDIDTESA-N 497.573 0.748 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1835677742 NVLPRFPEYYQVEP-JOCHJYFZSA-N 489.964 0.735 30 20 JCED CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837246659 IBSUHHBZVMTOIE-APYJYERMSA-N 463.556 0.552 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c2ccccc21 1837444105 YXTIBFROQIWOEU-IAWFGPOKSA-N 498.584 0.268 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1837527084 XGTYCGNXHRGGIN-HCHKYEMOSA-N 485.541 0.862 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1)c1ccccc1 1837614570 QPJUKIPEACSGFH-DVECYGJZSA-N 452.511 0.516 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1)c1ccccc1 1837616451 GEIHNAOAHDZICS-ATIYNZHBSA-N 478.549 0.897 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1838075470 IKEOIPCQCMKJCW-LEWJYISDSA-N 493.649 0.968 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(-c4ccccc4)n3)CCO2)C1 1838743023 XTWZJNJUCXIDET-YADARESESA-N 452.511 0.981 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1839174005 ZSTKYTGHMCJHFL-QFIPXVFZSA-N 457.487 0.309 30 20 JCED Cc1cc(Br)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839281866 SNMTWNNSWSCQIR-FQEVSTJZSA-N 465.300 0.916 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839387918 ZTCHWIPWFHZHJT-MBSDFSHPSA-N 492.504 0.610 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)c1 1839420049 JWMRBGGRVVYHNB-HSZRJFAPSA-N 482.472 0.021 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc([N+](=O)[O-])c(O)cc3C)CCO2)C1 1839465682 ILBIZAHIRHQKKM-ZHRRBRCNSA-N 461.471 0.717 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839667829 LERWBAXHKWTSMA-GKVSMKOHSA-N 495.511 0.981 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C3CCOCC3)C2)C1 1839809684 HHNZSUSECKJEEP-YADARESESA-N 479.574 0.786 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3c4[nH]cnc4CCN3C(=O)OC(C)(C)C)C2)C1 1839810154 GTONPUGVROYJBY-CVDCTZTESA-N 473.530 0.334 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840016560 JKOOBLHQGDQQBS-XYOOIOGLSA-N 467.522 0.391 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840817967 CUVBVMJXYUSSJY-XXBNENTESA-N 458.515 0.308 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1840819364 GXKQMOQBRLHCPF-XMMPIXPASA-N 476.493 0.750 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)on3)C2)C1 1840906450 BXNPMTQCFINZGT-SBUREZEXSA-N 476.530 0.970 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCOC)C2)C1 1840906558 FGUGTGCKUNWQLA-WZONZLPQSA-N 467.563 0.786 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841848071 LTMYEFJSHKUZTB-OAHLLOKOSA-N 463.535 0.601 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CC[C@H]2C(=O)OCN2C(=O)OCc2ccccc2)C1 1845036056 SJJPATLJEYHGPF-SFHVURJKSA-N 483.477 0.580 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3ccc(O)cc3)CC2)CC1 23696334 LHOFIIGWCLRUGM-UHFFFAOYSA-N 469.567 0.919 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)c1 485474986 MSKWHXLNBOXFOD-UHFFFAOYSA-N 461.569 0.927 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1=O 510259754 ZJGINCQHPFLPCU-UHFFFAOYSA-N 470.891 0.276 30 20 JCED Cc1nc(S(=O)(=O)NCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cn1C 512268896 GKLVJIXWQGTRCB-UHFFFAOYSA-N 453.528 0.776 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cs1 516372455 KAHPKVZSPLWDRX-UHFFFAOYSA-N 475.640 0.536 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 523734035 SRBHDAJEGSDUHE-UHFFFAOYSA-N 461.565 0.131 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OCCO2 839370429 OIRSHMUWZWJUSK-UHFFFAOYSA-N 451.508 0.431 30 20 JCED CC(C)[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 877876848 FXOBXZIMFGVEPW-AEFFLSMTSA-N 464.544 0.784 30 20 JCED CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCCN(C)S(C)(=O)=O)C1=O 915112016 TWSNCWSPKYBNBA-INIZCTEOSA-N 469.589 0.994 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 918609749 ACPMQVHDUWMBEQ-XLNRJJMWSA-N 463.541 0.936 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 918729701 QVGGROGQAZRBAP-UHFFFAOYSA-N 474.546 0.237 30 20 JCED CC1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1291183752 CPIBXDUTFYHPPH-MJGOQNOKSA-N 464.640 0.797 30 20 JCED COc1ccccc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1300590224 YWXHTQCIPKZADL-HKUYNNGSSA-N 476.559 0.591 30 20 JCED CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O)C1CC1 1316346116 YAYIZZRLEUHZHD-UHFFFAOYSA-N 478.600 0.866 30 20 JCED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1464320462 PGFIXNKJNIXNCW-KRWDZBQOSA-N 455.558 0.377 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1509958126 YLJXIZQFASGLMK-HUUCEWRRSA-N 455.585 0.512 30 20 JCED CCS(=O)(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1516851073 KOJOMHZXZBKJQV-UHFFFAOYSA-N 451.578 0.949 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)C)CC1 1593886162 REQSIGBPBFQXPX-HNNXBMFYSA-N 460.988 0.668 30 20 JCED COc1cc2c(cc1S(=O)(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)C(=O)NCCC2 1662237633 ODJPRWLFJDSBJN-CQSZACIVSA-N 456.528 0.932 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC[C@H](O)C2)C1 1698313035 RNJXEZPQHQNWLI-FPXQBCRKSA-N 456.544 0.604 30 20 JCED CC1(C)COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1706933987 PLCUAWVGTUEBQS-PGRDOPGGSA-N 495.650 0.852 30 20 JCED CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1765850485 OATXDCGCTPXXSS-UXHICEINSA-N 453.565 0.610 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1768524500 STIFNMWATUGNGW-OAQYLSRUSA-N 491.549 0.496 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778834628 QDJIMTMBVCAKDZ-MIVJIENQSA-N 474.558 0.568 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1778976335 OOROASADUVKEEZ-YRUKQIKQSA-N 481.590 0.761 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3c2NC(=O)C3=O)C1 1779147941 VTWTVZLNQMQSRI-PQNFPLSNSA-N 453.495 0.987 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1779322722 ISHVEHHLRUOTOD-DNVFCKCGSA-N 462.591 0.907 30 20 JCED COC(=O)C1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@@H]3CCCCO3)C2)CC1 1779428159 JLMAAAJRAVHCAJ-HSOAJUISSA-N 451.520 0.983 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1n[nH]cc1[N+](=O)[O-] 1779602709 SXVDCCHAWPTZKH-HLZPJYFYSA-N 464.479 0.974 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779947336 MIISBDWYNKNLDW-XMMPIXPASA-N 497.577 0.911 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1781165055 CAGDXFHBUMVOMW-NXMSCROESA-N 493.605 0.106 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)[C@H]1SC(=N)NC1=O 1781298701 PVFFMOHEDCVLPZ-PFDOBSCMSA-N 473.530 0.872 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](N)Cc3cscn3)CCO4)c2c1 1782196226 XNRNBOAQIMAZHH-JTSKRJEESA-N 465.539 0.905 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1782468708 KFXXMJYSSYRUBO-DBYOASNMSA-N 475.590 0.544 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1I 1783563237 YSNZIMZURYFFBU-QGZVFWFLSA-N 486.266 0.108 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783887544 ZOYJKIVVURLOAV-YWZLYKJASA-N 457.593 0.897 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(C)n3)[C@H]2C1 1786085116 BWLGRMHPAZVPKB-CAMMJAKZSA-N 459.547 0.930 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788659302 XQSJTVXERLIQTR-UINBSZBSSA-N 460.535 0.786 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788681089 MICLNUCAHIGYGU-RVMSYBGYSA-N 495.573 0.374 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)n4cnnn4)[C@H]3C2)c(C#N)c1 1791687057 AEIYEHSOIKXNTG-QHERXFFYSA-N 453.503 0.337 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1)C(C)C 1793261367 GXKFBHUNVHXTJL-AINOVGTFSA-N 488.585 0.361 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC 1793319360 ZSHJAIGZZKVKNN-SFNKJDCFSA-N 487.619 0.870 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1793595998 WNMOLYKSUPAKEY-AJYBTWMASA-N 466.579 0.378 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(F)ccc1Br 1793750024 PIUHBQOJDZBWFB-DBWKPXFBSA-N 453.264 0.808 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)CO2)C1 1795412504 GKMXQFPZGUVLJE-FJIDUMEYSA-N 474.558 0.906 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)c1 1795929805 HKTUARTZHUBHBM-HGKCTWBKSA-N 469.523 0.535 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)cc2C1 1797318394 NWALBBVBUCLLMC-CCWDJLKJSA-N 458.519 0.751 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1797836851 DEXRIEHXVIJJTH-FEQDATNQSA-N 478.505 0.974 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)n[nH]2)C3)CC1 1799236267 BGKPBUSIBQIIFD-JLVBRIDZSA-N 488.545 0.859 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C2 1799303965 PCOKOJRJOBKCSX-OPMZPASUSA-N 478.567 0.732 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1799372847 YJNSTORNPLJCCM-RBNVPPIJSA-N 465.432 0.796 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cccc(Br)c2n1 1800007390 ITCLAWISAZFCNA-DPIQGUFMSA-N 461.272 0.388 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1)C2 1800452655 QHIUKYGKRIVKFD-BFUACXKISA-N 455.511 0.371 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1800911952 KRSFQHWUZPAVIA-FSNPWBFUSA-N 497.589 0.606 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801990087 QXPCLNNVVKMGJM-NYUBLWNDSA-N 488.541 0.412 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802084442 JBPAILOKCINCOP-IECFSIQFSA-N 481.546 0.071 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(C)[nH]n1)C2 1802125168 AGHFYETXFCIFSE-YNVMFWSZSA-N 459.547 0.767 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1804195547 YMQLFCOVXLSQIG-HQGJICSSSA-N 487.582 0.530 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807357111 DIIHIMWRMMODMI-OXJNMPFZSA-N 479.497 0.642 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812392287 NMBIJBUQTCYJGZ-APWZRJJASA-N 460.487 0.140 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1)C(C)(C)O 1812882781 RDTNVMBRJDJDAF-PWIZWCRZSA-N 488.541 0.840 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCN2C(=O)C=CC2=O)n[nH]1 1815470026 JKBJDZKWZQHTNG-MWWKQMNYSA-N 454.487 0.575 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cc(C)ccc3C)C2)C1 1829764172 GXDLNJNZVPENJV-CNXHMKESSA-N 471.554 0.997 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830606846 KPPVNCJZJLTPBS-HXOBKFHXSA-N 463.531 0.339 30 20 JCED CC1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1831104150 LXVNGSAQPMOMPD-LPEYTCNWSA-N 466.579 0.704 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(=O)OC(C)C)C2)C1 1831386525 HJOIKWGQOIAXQM-MHECFPHRSA-N 473.526 0.755 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)cc3)C2)C1 1831398808 LPMVALBXBCFZHO-NTKDMRAZSA-N 452.511 0.981 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1831435218 NEYXUKYEHIPKJA-MBSDFSHPSA-N 455.515 0.928 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1832000517 RLUFKKXBQVGHDK-FJPNIYADSA-N 479.574 0.805 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CC1 1832112206 ZJJFWPUKYPWBLY-QHCPKHFHSA-N 492.573 0.509 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832521742 JCLQECQWEIRFBK-UXIGSVSMSA-N 462.587 0.940 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc3ccnn31)CCO2 1833027424 DCHWAZNNXNGWNB-WZONZLPQSA-N 473.530 0.265 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cccn(C)c3=O)CC2)CC1 1833074399 NDMMWBQFRVOACT-SREVYHEPSA-N 455.559 0.429 30 20 JCED C[C@@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1833204062 LDVCKSLEOIXOSK-YADARESESA-N 467.526 0.926 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1833482846 IOADPKLXCUXZJG-DMGPTTAYSA-N 466.604 0.951 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835346202 VJDCOQCZDOKFNL-OAQYLSRUSA-N 465.503 0.603 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1835676812 BJNVNFXWJNXFEN-JOCHJYFZSA-N 455.519 0.081 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1835676834 CIGGBQXJHCPGHC-HSZRJFAPSA-N 454.531 0.686 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)c4nncn4c3)CCO2)C1 1837367522 QNJKZYLBAINJFT-VFNWGFHPSA-N 461.906 0.491 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)C1=O 1837491464 NRWHWJXXGBXWTL-AREMUKBSSA-N 495.532 0.590 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)no1 1837533404 SKTKITJVRAIYLO-KRAMAXKOSA-N 450.492 0.511 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Cn2cncn2)CCO3)c1 1837647448 LMRGTTXCWKFDTK-MBSDFSHPSA-N 452.515 0.865 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)cnc2C1 1838414052 AKYRPLQXFBCWKP-QHCPKHFHSA-N 488.545 0.617 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Nc4cnccn4)C3)C2)c1 1838582550 SFGPMFXGQWPJEE-OSPHWJPCSA-N 480.525 0.927 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)cc2NC1=O 1838589426 OZGJNPJUFMKWEL-OWJWWREXSA-N 479.493 0.990 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)c(OC)c1)CCO2 1838930151 NXOAANGEOAZVHM-IBLIISRWSA-N 473.526 0.632 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1838953117 SBLIEJBSHZTWLU-NTKDMRAZSA-N 455.559 0.264 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839036669 LIQPNPIUJUQLOX-GYCJOSAFSA-N 483.500 0.914 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)cc(C(F)(F)F)c1 1839079455 RXFGEAKWNRRGGN-WFXMLNOXSA-N 482.459 0.370 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839124322 YDEZQDAPLYQNTE-SBUREZEXSA-N 495.577 0.118 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)c(C#N)c1 1839131932 IPXKYUMLEPNLHZ-QFIPXVFZSA-N 475.571 0.583 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C3)C2)c(C#N)c1 1839133098 ZBVPHSJBSOWMSJ-XDHUDOTRSA-N 472.542 0.433 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1839174137 IDGVZBFJQZDCHF-QHCPKHFHSA-N 492.529 0.742 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186888 VDZXGGCNFNPRMZ-QHCPKHFHSA-N 469.473 0.809 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839363673 PDWWSGYDMJSGHH-QFIPXVFZSA-N 459.572 0.307 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839517009 BWVHJKMTGURXJL-XMMPIXPASA-N 450.495 0.787 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1839807678 FJCOCGJFTYWYQM-MQNAVGNWSA-N 465.547 0.084 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H](F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1839808423 RDILWTPOWXFJPH-DRSNIGMVSA-N 453.511 0.671 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)CC)CCO2)C1 1839828244 KVKIXBPXLHYDJA-OPAMFIHVSA-N 453.536 0.891 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1)C(F)(F)F 1839892786 GPPBHDWYPVIHPR-HXUWFJFHSA-N 472.464 0.862 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1)C(F)(F)F 1839893667 IUROKDVTDADPBR-SFHVURJKSA-N 472.445 0.945 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840010484 DUZNSHGMXMNZTG-HVRFAWQISA-N 499.630 0.643 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840011346 YTFYWAZUWKBPJV-RAZUEPIFSA-N 461.559 0.969 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1840170540 MUPRBJIDDCTFNQ-KOSHJBKYSA-N 495.573 0.703 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1840213148 GMAMTEQERIWNTM-DRSNIGMVSA-N 455.552 0.947 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840272225 MHFLHGXMIMZMQK-YASKCIBGSA-N 493.601 0.911 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c1 1840410686 MYJXNMPNTSQBGR-QHCPKHFHSA-N 467.482 0.506 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2cncn2)CCO3)c1 1840419714 OEXHQOQHORARBG-ZHRRBRCNSA-N 454.487 0.490 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840799350 SVTDAVUMLFQNOF-NTKDMRAZSA-N 459.543 0.854 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1840819833 IERLCTUCBVKDIH-QNGCPFJASA-N 468.554 0.734 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840844512 ZMWNZRRLHCGDDL-STSQHVNTSA-N 465.547 0.227 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1840908264 GSVANKCGOTUVIP-CPJSRVTESA-N 492.617 0.845 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cncn2)C1 1843082133 QOHMNFVOQNEKCF-INIZCTEOSA-N 491.549 0.287 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 515946332 AVGHTBIJNMOIFY-UHFFFAOYSA-N 477.525 0.511 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 522536957 OKRYMLJKZVUFPF-UHFFFAOYSA-N 477.502 0.934 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 523079511 XQJHRJNUNKZSLH-UHFFFAOYSA-N 455.536 0.243 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 602253018 MAZJPTHIYKSKCE-UHFFFAOYSA-N 494.913 0.820 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1CC(N)=O 608910775 NARMJARDZQXHQL-UHFFFAOYSA-N 473.511 0.121 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O 608910905 VXUOFIAGPWTJPE-UHFFFAOYSA-N 484.578 0.372 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)ccc1F 609220950 VZUWLYYZTTWSOF-UHFFFAOYSA-N 494.504 0.756 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)N2CCN(C)CC2)cc1 642959229 MJGCMYIGRZKLIS-UHFFFAOYSA-N 451.593 0.574 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 769805351 XQXQXLAZXRGCHV-AWEZNQCLSA-N 494.551 0.657 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(Br)c2)c1=O 838166310 QHIYZPKXOZONIC-CYBMUJFWSA-N 480.384 0.973 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(F)cc3F)c2=O)cn1 838689774 JWOYMIQLYNNYKR-UHFFFAOYSA-N 457.462 0.273 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 915444987 UODYSIYGFRFSKY-UHFFFAOYSA-N 471.488 0.412 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 918263455 FAKOVJIWHMANIT-DIBXZPPDSA-N 469.527 0.933 30 20 JCED CCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1296221595 XVXBSPYDYJDXBJ-FQEVSTJZSA-N 474.522 0.666 30 20 JCED CO[C@@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CCOC1 1504055629 OTARVESRJWAZGD-FXAWDEMLSA-N 468.580 0.547 30 20 JCED C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539793748 LMDQPULYUJUVRE-CQSZACIVSA-N 453.956 0.942 30 20 JCED CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCOC1 1728780171 PJQJLOBCKMSNDP-FXAWDEMLSA-N 452.581 0.952 30 20 JCED CN(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1766904395 NWQUEZRGEBANMB-LPHOPBHVSA-N 469.587 0.927 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(O)cc2)C1 1770351582 USUFPAHWRGDNBQ-QZTJIDSGSA-N 462.532 0.288 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CC3(OC)CN(C(=O)OC(C)(C)C)C3)C2)C1 1778136707 PTBGITVNBRDVGA-MBSDFSHPSA-N 479.574 0.881 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)n1)CCO2 1779100906 FWEDNKJVBBNJCG-HSBZUZAYSA-N 487.557 0.891 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105703 MTZQOUIMGMGCTH-ACOPQKDGSA-N 498.577 0.621 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)cc(OC)c1)C2 1779557382 JHNPCPYXOVNUCO-PQNGQFLHSA-N 472.542 0.845 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)c1 1780172987 PWLKZXFQGXJGAV-XMMPIXPASA-N 495.561 0.915 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780197551 NYXARXGAAWLEIQ-IVZQSRNASA-N 455.471 0.160 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cccc(C#N)c3)C2)c(=O)nc1O 1780350195 BTPMESICHHEGND-NTKDMRAZSA-N 465.510 0.957 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781373110 VZBYKCKCGPPSCU-UOIPHLHCSA-N 476.574 0.907 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)ccc3-n3ccnn3)C2)C1 1782161476 XIDJXCNEHMFTMN-POUSAUBHSA-N 464.526 0.878 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NNC(=O)C2)C3)N(C(=O)OC(C)(C)C)C1 1782302026 LJYNCTFQKQJGCK-HOOSLVGPSA-N 489.573 0.942 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1782664835 RCOWPZXDEIFVNA-UUOWRZLLSA-N 487.557 0.639 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)c2C1 1783565452 UMVNRROXTDCWTO-HSZRJFAPSA-N 487.513 0.165 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1783862880 RAIKTKAAMPFPHZ-STFNCZPLSA-N 491.676 0.946 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783928618 LKAVTHYMJSCEAO-FNVCAUGXSA-N 483.562 0.902 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1)NC(=O)OC(C)(C)C 1784601993 VDIKNEHWCBGZMA-GSHUGGBRSA-N 477.566 0.924 30 20 JCED CCn1c(-n2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)cc2C)cccc1=O 1787153347 KIGADURDBHVNAY-LNLFQRSKSA-N 452.515 0.869 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@H]2C1)c1ccc(O)cc1 1788474641 AYNNCNZROKJKFA-JHCRBYMJSA-N 487.553 0.933 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1788640553 XQGXLGXDEHNOID-MYGLTJDJSA-N 456.495 0.513 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)c(C#N)c1 1789295900 WEYUIJYAVGCANJ-QSFXBCCZSA-N 451.483 0.486 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(C#N)c4)[C@H]3C2)no1 1789509414 SWQYYAFUADBHHC-BJLQDIEVSA-N 451.483 0.878 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1789904413 OHASUOQIMICMSB-OKYOBFRVSA-N 469.579 0.835 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CN5CCOCC5)C[C@@H]43)c2c1 1790327857 LAMIUNFZSYUCTD-QRFRQXIXSA-N 452.515 0.360 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790857318 TZRCQSMSLIMLFC-ADHGMGHFSA-N 464.563 0.572 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C[C@@H]21 1791266215 MOTOXRGPXVKRQK-QAETUUGQSA-N 484.619 0.364 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CC(N)=O)C[C@@H]21 1792267171 QIQGJRUBPFEKED-IROFKAFKSA-N 478.590 0.947 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1792794675 DDNVORUMRGTNNF-VOPHGLLCSA-N 477.649 0.556 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CS(C)(=O)=O)N(C(=O)OC(C)(C)C)C1 1793371494 LTPPFHUXEXCPFJ-ZSXDVEMLSA-N 499.630 0.822 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccnn1)C2 1793599547 ZLFOVMDXMFCBMS-AVEIZBFRSA-N 462.551 0.898 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1c(=O)oc2ccccc21 1793981512 MGRMWEAYNTZUHX-XXGILCFXSA-N 468.510 0.433 30 20 JCED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)cc1 1794108158 GCPFNSYVRNRMHO-QSNWEANLSA-N 477.521 0.697 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(C)c(C)[nH]c1=O 1794313340 ZJMLJXVMAJWMTC-XMTFNYHQSA-N 487.557 0.507 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(=O)OC(C)C 1794313557 RKELHAUGUFLZQF-KAXDBTLWSA-N 470.526 0.708 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)c1ccccn1 1795620064 CDRIPUJFDWGHPF-ZRSLWSEBSA-N 471.558 0.588 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797739007 PAWKCIPAIKLLOJ-GQKLUMADSA-N 477.587 0.301 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)[C@H]1SC(=N)NC1=O 1797783357 NIZDTYZINZSLJP-ONMISFSYSA-N 462.572 0.077 30 20 JCED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cn2[nH]cnc(=O)c12 1798464878 XUCLLXRCBSGYJE-GOBSBTPVSA-N 455.519 0.006 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccc(Br)cc3n1)C2 1800777163 ISQZPHHJLOMUQA-KSPBDQMDSA-N 461.272 0.388 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2)c1ccc(O)cc1 1801055601 BGTGTJVGJKLBJD-NAZDKBRTSA-N 455.555 0.811 30 20 JCED Nc1n[nH]c(CCC(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)n1 1810152231 PXCMGAAHFUPPOU-ARCZTVJNSA-N 453.551 0.892 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]1c1cccnc1 1810339354 PGOXUSFBGRWPCH-NIIIZDBBSA-N 486.525 0.441 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1 1819454710 SFQFREVZNBQPEY-XMRHIBNKSA-N 466.495 0.995 30 20 JCED NC(=O)CC[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819898682 NGMSAEMCBFTUHB-YKORKFJOSA-N 452.537 0.177 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cncn3)C2)C1 1828805992 HHSDZQPXPNHESM-JOCHJYFZSA-N 451.487 0.644 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1828808386 RNJCFQZOFQJTKX-FDDCHVKYSA-N 453.499 0.488 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCN2C(=O)OCc1ccccc1 1828930271 CTTANENASBMHHO-VWLOTQADSA-N 496.520 0.149 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828967371 FCEMTYXTVQZZIM-GMAHTHKFSA-N 461.603 0.955 30 20 JCED C=C1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CN)CCN3C(=O)OCc2ccccc2)C1 1829044238 JNQQBCIXOZWCIT-RDPSFJRHSA-N 455.559 0.691 30 20 JCED N#Cc1cccc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)[C@@H](N)CN)C3)C2)c1 1829189710 IAYJABAATMGFGA-NVQXNPDNSA-N 490.564 0.910 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1829267309 TXBPUAORVLYDJZ-MHECFPHRSA-N 469.542 0.779 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4ccoc4C3)C2)C1 1829762291 CJHQRFFGJIHINL-OJFPZYBJSA-N 457.527 0.699 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2 1831192420 FXZJKMSZCSETDM-YTZAWJCFSA-N 494.589 0.274 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Cl)c(CC)nn3C)C2)C1 1831386530 HMLZZWAUMMHLRP-QVKFZJNVSA-N 452.939 0.744 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CC(N)=O)CCO3)c(O)n1 1831599772 SRJPRXWPQUQJCS-QMHKHESXSA-N 460.531 0.487 30 20 JCED O=C(CCN1CCOCC1)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1834637817 WKENFVZURLEGME-LKUDQCMESA-N 462.639 0.752 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1835170223 UESHEVVCYARLQV-QCYAZGCDSA-N 489.525 0.943 30 20 JCED CS(=O)(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835782361 FYDAYYCNSCLXOJ-PXLXIMEGSA-N 452.577 0.705 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(C)C)C(C)C)CCO2 1835896254 BTQMKWOYTGNLKX-REWPJTCUSA-N 453.580 0.975 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2ccccc2=O)CCO3)c1 1835993184 QNPCKVQLWKZPCD-RUZDIDTESA-N 464.522 0.809 30 20 JCED COc1cc(C(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)nn1C 1836202699 SUPCSPAUYVJNCE-UHFFFAOYSA-N 459.595 0.896 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1837440875 CWNYPKRUFOHNRT-IPACTHBOSA-N 499.568 0.913 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1837443503 CQVLLNUHEBOTEZ-RLWVUDJFSA-N 481.557 0.809 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1837447295 WXXZFCXVADLTIM-DXPRYJPLSA-N 481.557 0.809 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1837492623 MTYPPQIFZNNNCT-DEOSSOPVSA-N 458.511 0.866 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1837528200 AXUQISQAMFLIOY-FYGKWSDDSA-N 490.513 0.452 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1837529590 VVOUULDBPVILNK-KTGCVPNGSA-N 471.514 0.933 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837531298 HVQUQGWAXARPMM-VJIOCRDPSA-N 462.503 0.689 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n[nH]1 1837592338 OVVCJKQFCUQMSK-QHCPKHFHSA-N 453.499 0.668 30 20 JCED CCCC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1C 1838541506 NSPQQZIMODXVGO-XMMPIXPASA-N 471.510 0.892 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838578979 XDHBSOVKCYFYNU-NRFANRHFSA-N 472.527 0.844 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(OC)n(C)n2)CCO3)c(C#N)c1 1838834687 SEQZTNJJCCPOCJ-DEOSSOPVSA-N 483.525 0.622 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)C#Cc5ccccc5)C4)C3)CC2)CC1 1839107611 GJKRULYNXDSNAQ-VWLOTQADSA-N 466.582 0.275 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4CCOCC4)C3)C2)c(C#N)c1 1839131801 AFKXZLCKFSJGNC-DEOSSOPVSA-N 457.527 0.992 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)ccc1F 1839185489 CWENIJQQYJVRJG-SBUREZEXSA-N 458.490 0.222 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839203528 NQNODJJRCDCCHR-DVECYGJZSA-N 499.605 0.701 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839222847 CNHZSGPWIGXDFR-DNVCBOLYSA-N 452.468 0.049 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1839225402 IXQQWLKZGXWIFY-MHECFPHRSA-N 487.557 0.597 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)c1ccccc1F 1839233605 HMXMABGSAQCUGL-UJUVCNOISA-N 467.563 0.952 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839240784 VDQDYGYTPGQLKK-BPHSFESTSA-N 463.535 0.554 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839422479 WSWPCDFAMTXAPM-ZJSXRUAMSA-N 498.515 0.238 30 20 JCED CCN(CC)[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1839729519 HSLQZVMNXLUWBY-UPVQGACJSA-N 457.527 0.614 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1839801635 UDLDQNUQZNHRLU-IERDGZPVSA-N 470.613 0.797 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)C[C@H]2C1 1840003112 WOTJUDQVNXORNC-DPSWKAHMSA-N 491.541 0.178 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219442 NZAZGZFZBSWLSP-JHVJFLLYSA-N 473.592 0.133 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840276755 AIRAOCIJDZUNBS-HXOBKFHXSA-N 479.530 0.178 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOCCOC)C2)C1 1840294923 UHSMOAMDTSSBNP-VWLOTQADSA-N 498.617 0.723 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CC1 1840820539 VRPNICTXSQXIAM-HSZRJFAPSA-N 471.510 0.737 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1840909661 ZUCRDOIWYGUMMH-REROXQDQSA-N 492.573 0.399 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)N(C(=O)OC(C)(C)C)C1 1841892806 VRIUAMVBYANORN-HNNXBMFYSA-N 461.519 0.307 30 20 JCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)N3CCOCC3)C2)c(C(F)(F)F)n1 1844295226 LYDODJAELAJCFW-QGZVFWFLSA-N 453.421 0.440 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C1 1845145620 WNFGCEJACQMXGD-DOOKAGJSSA-N 492.573 0.895 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C=CCN1)C2 1846365872 AEBVPDTVFLRRPG-IRXDYDNUSA-N 477.562 0.523 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 10351233 DQSPOIQYUABUAB-XOBRGWDASA-N 452.533 0.770 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H](CO)NC(=O)c2ccccc2)CC1 109129315 SKUHFPDUFNPVNX-SFHVURJKSA-N 493.476 0.789 30 20 JCED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c2ccccc2O1 523233952 QMIWHVTVPKVEKN-FQEVSTJZSA-N 451.458 0.886 30 20 JCED N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(N)=O 524282015 LZVNCTWGVDNGEK-UHFFFAOYSA-N 496.932 0.961 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 561127489 LRLWOUXDXITNJG-UHFFFAOYSA-N 451.549 0.695 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 603794300 DTULNLWXGOENKD-UHFFFAOYSA-N 455.540 0.895 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)CC1 728969172 MWVJGOOMGLDGRW-HXUWFJFHSA-N 453.543 0.857 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCS(C)(=O)=O 729673623 YDTCXQOKMAGGBQ-UHFFFAOYSA-N 491.591 0.160 30 20 JCED O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N([C@@H]2CCS(=O)(=O)C2)C1=O)Nc1cnccn1 730727782 VQSCVZCNKBGACG-DJPAKNNNSA-N 474.568 0.930 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OC(F)(F)F)c1=O 763249577 DIPUHHLRZFJQHQ-UHFFFAOYSA-N 483.468 0.817 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 769726101 IBRZYLVWUGKVIN-UHFFFAOYSA-N 487.494 0.637 30 20 JCED COc1cc(OC)cc(C(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 914498175 KWVKCFXVYSWZJH-UHFFFAOYSA-N 472.523 0.727 30 20 JCED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 917036627 MGHVYQCJTWKCMW-LJQANCHMSA-N 470.507 0.455 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1Cc1ccccc1 917356999 XDEOVUGKKLDZBC-UHFFFAOYSA-N 465.579 0.964 30 20 JCED CCNC(=O)CN1CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 918086805 PXOBRTLBOTZHIB-UHFFFAOYSA-N 463.604 0.956 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CCO1 1299155092 NBGXLBBRCWMXJT-XLIONFOSSA-N 469.546 0.401 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1303301978 XWIZQNJOTIZMOT-YLJYHZDGSA-N 499.613 0.288 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCNC2=O)CC1 1359151321 REGAKZCIKKCVOR-INIZCTEOSA-N 488.014 0.748 30 20 JCED N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1521149267 RWTFNAKERLXVOY-UHFFFAOYSA-N 450.565 0.584 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN(C)C1CCCC1 1611706909 HQBPSTAPBHCTST-QFBILLFUSA-N 464.640 0.939 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CN2CCOCC2)c1 1611711740 SJSPANDDSZKJQO-PXNSSMCTSA-N 489.602 0.498 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N(C)C 1617907950 LRCWYJNLOQISPU-KRWDZBQOSA-N 466.589 0.580 30 20 JCED CS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1698321169 UIENVVSEBGBMHQ-INIZCTEOSA-N 476.538 0.116 30 20 JCED C[C@H](CN1CCCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1706817045 OTOLDFZKCYSTIO-KURKYZTESA-N 467.596 0.072 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1706937701 RKEGYBOXJPSDPQ-JKSUJKDBSA-N 470.621 0.734 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1710484053 QMZFRFIFRDFSOF-GPMSIDNRSA-N 454.553 0.083 30 20 JCED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 1711275506 LAZUDSMPMLUMHP-WZONZLPQSA-N 453.547 0.887 30 20 JCED Cc1noc(C)c1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1726421431 AIKQNAJSVHMQLA-RHSMWYFYSA-N 462.580 0.912 30 20 JCED CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCN1CCOC 1727801911 LHBSGVRWIOEBPG-NZQKXSOJSA-N 488.614 0.913 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1760589883 KVTJBNQPVIVDGA-IEZWGBDMSA-N 478.623 0.323 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1761436574 YNMXIWNTGRGJET-SFHVURJKSA-N 473.603 0.867 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CC1 1771360531 KZUYYKMQRYIBAT-UHFFFAOYSA-N 461.617 0.947 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)NC(=O)c4cnccn4)C3)C2)c(O)n1 1779177314 NEFXXMOEPCJLTG-GKVSMKOHSA-N 494.552 0.958 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779423200 ISHJCIAJHGUDKM-NUCBNXIXSA-N 469.608 0.513 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO3)c1 1780176007 VPKXUFLYPZTTKZ-REWPJTCUSA-N 473.482 0.505 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C3)c(C#N)c1 1780686581 LDQBHNQHHOVFIK-DCLXLUIPSA-N 471.558 0.216 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1781161443 KJQMNVZLTNEJAS-UUOWRZLLSA-N 492.573 0.965 30 20 JCED CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccc(Cl)cc1)C2)C(=O)C(=O)O 1781537383 RDXJYCJWXDVIOA-WZONZLPQSA-N 475.929 0.748 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)cc(C(F)(F)F)c1 1782030712 DYYJSPMEBGCSIJ-HXUWFJFHSA-N 479.415 0.572 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1783052944 JXWANNWMUBBVEY-KSFYIVLOSA-N 450.536 0.211 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567449 PNMHNOKKYUZJIP-SKYHNFRHSA-N 491.541 0.176 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783601593 ZXFYJISPCWLIOZ-UZUQRXQVSA-N 463.531 0.686 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783682008 UNTLJAROOUZIJV-NXOAAHMSSA-N 451.568 0.758 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1783883820 LPPUDJJDCVOUFP-DGGJZMOXSA-N 497.593 0.217 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC)NC(C)=O)C[C@@H]21 1784786318 VCIWOMIPCHBNKQ-KNJMJIDISA-N 496.605 0.587 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1785370739 NZNBOMLNBVDEGK-UZQCKINESA-N 462.547 0.543 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1785576638 LJBXFIYAEAYESM-JTSKRJEESA-N 460.535 0.415 30 20 JCED Cc1cc(NC(=O)CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)no1 1787491719 IWYYVUHBXKUJGO-YNJQCJAMSA-N 477.518 0.820 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1787509951 SNGASQSQMUOOME-YYOQYYTKSA-N 460.512 0.065 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1791024321 MOMDHLVBINVPTP-DAWKRRPCSA-N 461.515 0.311 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1791142728 CVKWVLGRVIKEKU-FHWLQOOXSA-N 455.552 0.212 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc[nH]n4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380008 KPZODKGCBGAYMZ-QAETUUGQSA-N 460.535 0.964 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792110043 GIRXFGFHWCWUHY-MHORFTMASA-N 487.619 0.870 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792282698 PZRDDLILNMJCEX-XSLAGTTESA-N 479.578 0.331 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(C(=O)OC)cc3)[C@H]2C1 1792340758 NLLMUFRGOSFCGJ-LGYWMIHWSA-N 458.511 0.870 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCN(C)CC2)cc1 1792457883 XSSZQUUULFCZDJ-WRHDZBKDSA-N 454.571 0.680 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1c(C)cccc1C)C2 1792489720 LPAYEPQQWBZNJF-NOAIIALASA-N 454.527 0.690 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1793597692 SQCOENZAIFPBFU-ULQWZQFMSA-N 484.550 0.110 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2)C3)c1 1794320796 GPMMZSWEVHYGTO-OPVJXMOQSA-N 454.508 0.874 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)c(O)n1 1796436113 NEGBAVRVPLSMGI-UPHUGPLXSA-N 492.598 0.535 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C(C)C)n1 1796635832 BRRKSZBGLOJQME-MHORFTMASA-N 474.562 0.979 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1797707027 WCBYYAMCURZDLV-GNNCWXLZSA-N 460.531 0.155 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1797808781 QETCQXCSCPVNEK-VELUKZMGSA-N 489.529 0.111 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1797815881 XQDFVGNBFYSGFU-WLOWVPMJSA-N 460.413 0.556 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1799363726 DJYHRLHFBHPAQD-BMQTXXJKSA-N 469.579 0.835 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1800801376 BAIMGFRPMMIOFB-XYFZXANASA-N 459.565 0.351 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800801501 KLTIOTBBPGQFQU-AXVVYFOYSA-N 465.547 0.836 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)C2 1800981235 RWXJEZRNGZEWDY-SNCMPBNLSA-N 453.948 0.973 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801069913 OQJJPQIKHHHIPW-XLIFZOOWSA-N 490.601 0.799 30 20 JCED CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1801531419 HVCDQVGNEQBTIG-JLVBRIDZSA-N 484.372 0.959 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CN2CCSCC2)[C@H]1c1cccnc1 1802479782 YZSUSNREBPDROM-QFZALXNFSA-N 457.600 0.995 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1804524972 PTSNEFIOXZJKQN-OKYOBFRVSA-N 476.574 0.742 30 20 JCED CN1N=C(C(=O)N2CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)CCC1=O 1807141485 BSCIVOXLGJKUOA-FXAWDEMLSA-N 453.547 0.977 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1808454066 BPSJKNJKERHHJE-OXJNMPFZSA-N 466.498 0.800 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C3(C#N)CCC3)[C@@H]2c2cccnc2)CC1 1809678496 MMXWVNJOPMJCBG-IFMALSPDSA-N 452.559 0.945 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1810246423 YDOIQWAWNKNYGJ-DYXWJJEUSA-N 478.615 0.391 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1812340159 WQCNGWSBEDSROJ-UKFPXBFUSA-N 450.499 0.203 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1814208225 QWXIRANQEVBOIQ-HBFSDRIKSA-N 482.545 0.691 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816673642 KCNFQLWOJFHLTC-TVQRCGJNSA-N 458.504 0.068 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCN(C(C)=O)CC2)n[nH]1 1818963924 PLRQTYHKPZZWKH-QULHZPMSSA-N 471.562 0.424 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822202050 BLNYXAMEOKGUKV-LSDHHAIUSA-N 463.491 0.766 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cccc([N+](=O)[O-])c3=O)sc2C1 1824713864 HDPDRVKRNMHULM-QWHCGFSZSA-N 459.484 0.864 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828629461 XYXDTNHSTOSBKK-XMMPIXPASA-N 496.524 0.294 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1828808151 MBGZHQYGIBNZQU-HSZRJFAPSA-N 464.482 0.749 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)CC1 1828921406 UIDAATVFLZDYIM-RLSLOFABSA-N 481.553 0.465 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828969885 UOMVQDXKNFQSHO-HSZRJFAPSA-N 469.546 0.471 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCN2C(=O)OCc2ccccc2)C1 1829016772 FTFRHZGUQPIDEI-KKSFZXQISA-N 473.559 0.444 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cnsn3)C2)C1 1829331119 ZFFMNRFSCKVHBT-QFIPXVFZSA-N 483.506 0.692 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1829332795 ZVPGLQXCQBYVPZ-RUZDIDTESA-N 495.488 0.926 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3Cl)C2)C1 1829764185 HAPMFKOAABGTRX-LXHZQTKUSA-N 462.934 0.592 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1829776868 JAGAREDLICATQH-KSEXMQBYSA-N 492.573 0.359 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)NCc1ccccc1 1830674084 FFCVSRSXQWTDEN-UKEJNIAMSA-N 451.523 0.729 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(OC)OC)CCO2)NC(=O)OC(C)(C)C 1831043833 SRZQUDQCROUHTF-UZUQRXQVSA-N 485.578 0.921 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1831393691 NKKBUEFMCZAJRJ-LHSJRXKWSA-N 459.528 0.382 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=Cc4ccccc4NC(=O)C3)C2)C1 1831396506 NIUIYTMFSBKVPO-BVZFJXPGSA-N 467.522 0.907 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)OCc3ccccc3)C2)C1 1831402150 PHLQEDLFNZTDLV-UMEGOILYSA-N 487.553 0.796 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832212832 ZKSJYBRAICKDAF-RUZDIDTESA-N 490.520 0.838 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1832456494 RIWGEFUNGKLLLR-QHCPKHFHSA-N 472.567 0.992 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1834716727 ROIUBBAVUOOLFI-UHFFFAOYSA-N 494.600 0.557 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOCC1)CCO2)c1ccc(O)cc1 1835397566 RRNYMNDXEVQASP-ATIYNZHBSA-N 485.581 0.678 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1835667278 AJDQMCYKXLSDNL-NRFANRHFSA-N 451.474 0.712 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1835681056 OCXXOQRMRVXTHU-HSZRJFAPSA-N 462.522 0.670 30 20 JCED COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835768396 DGURUWWHMIAEAC-BTVXTAIASA-N 453.540 0.443 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CN(Cc4ccccc4)CCO2)CCO3)c1 1836688483 VIYHSKVXFSOMBQ-ZEQKJWHPSA-N 493.564 0.857 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1)c1ccccc1 1837362770 NEKXQSYUXZXBDH-NTKDMRAZSA-N 452.511 0.516 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1837401386 YVWFLTDTUJTSIO-CYFREDJKSA-N 475.542 0.901 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447743 SBGZPYCKUZPDOP-DHNIJCFSSA-N 452.552 0.504 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837474820 BKCZKBBDPISZML-HOYKHHGWSA-N 464.526 0.848 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837531316 JCUUPBKPMPKNEW-REWVYZQPSA-N 472.502 0.328 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1837531410 LYSWMVYVZSQPIC-YBCPASKMSA-N 492.573 0.373 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837770676 JCDOEIRKKMVJMB-KSFYIVLOSA-N 469.485 0.887 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1837869583 VDMPFOBMVAEOPH-UHFFFAOYSA-N 458.563 0.524 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2)C(F)(F)F 1838472146 AJDZSSGFFCXCJS-IBGZPJMESA-N 469.420 0.520 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c([N+](=O)[O-])cc1O 1838600790 AMIBGXNGLQNNLP-NRFANRHFSA-N 460.443 0.683 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838626189 LSBHDHXTJRFSHS-IVZQSRNASA-N 477.470 0.985 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1839173837 OFOYSCHWXINFJU-QFIPXVFZSA-N 476.486 0.878 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1839224867 QRKUXBUOZMKMKN-ZHRRBRCNSA-N 462.503 0.724 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)cc1 1839362042 VDQITDKVNWGIBC-DEOSSOPVSA-N 466.494 0.846 30 20 JCED CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489361 YRPYKOSHKKKQSV-QFIPXVFZSA-N 454.487 0.031 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CC4)CCO2)C1 1839608534 JXEPHUTYTKTQFE-VWLOTQADSA-N 483.569 0.923 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839624914 SXSWPOWKVFLQKB-KSFYIVLOSA-N 461.494 0.512 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839666142 SFFSRHCPRZHXHT-BSRJHKFKSA-N 460.531 0.247 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3C[C@H](NC(=O)OC(C)(C)C)CC4)C2)C1 1839808416 ZSXYQIITIANDCB-GYCJOSAFSA-N 488.541 0.760 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)c1ccccc1 1839870406 LQJDAFHZVKVBHT-CZSZKKDXSA-N 453.539 0.776 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)C2)C1 1840043593 IHGFYLDSXPELFA-QFIPXVFZSA-N 471.466 0.561 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=CC(C)(C)N(C(=O)c3ccccc3)C1)CCO2 1840086456 TWAHDQMYZVOZOG-VWLOTQADSA-N 451.523 0.937 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](C)S)CCO4)ccc12 1840159486 FSEQAZBONJSTQI-OYHNWAKOSA-N 476.555 0.899 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)c1 1840182964 MMOPLUFNENTLAI-GAZXMLTASA-N 473.526 0.999 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1)c1ccc(O)cc1 1840221791 KJVBWWVTYNROEZ-WZONZLPQSA-N 453.499 0.778 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1840882720 QQOUZADJEYMTDW-JPYJTQIMSA-N 481.546 0.313 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3oncc3C)C2)C1 1840909178 NXYMBTHEJAASBF-UZUQRXQVSA-N 476.530 0.970 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COCCOC)C1 1842777517 XPNJTEVPJCULOI-KRWDZBQOSA-N 498.577 0.658 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844299822 VGKCYLPIIOQQDI-DOUQRPAJSA-N 464.544 0.972 30 20 JCED CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C1)C(=O)C(=O)O 1846301920 KRKJABPACCSXSX-CQSZACIVSA-N 486.591 0.335 30 20 JCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1846331443 ZAGGLXBCEDDQPO-KGLIPLIRSA-N 463.622 0.836 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)c1Cl 1848073283 KXEHRQKVCASQTP-IRXDYDNUSA-N 450.948 0.757 30 20 JCED CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 21033431 PZSDOKWIJMJOTH-UHFFFAOYSA-N 457.578 0.223 30 20 JCED N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1 24442440 SQSGRKYNXBRNPI-UHFFFAOYSA-N 477.568 0.485 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)ccc1F 105951353 ZKOCFTIQQLJYMU-UHFFFAOYSA-N 496.517 0.428 30 20 JCED Cn1c(N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c(C#N)c(=O)n(C)c1=O 514322271 DARSFBIQPLLFFN-UHFFFAOYSA-N 466.420 0.615 30 20 JCED CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2ccccc2O1 518076774 CBOYMLMZECMJJO-FQEVSTJZSA-N 462.510 0.922 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O 524281048 CWMXCPVTQCLEPK-UHFFFAOYSA-N 479.331 0.422 30 20 JCED CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c1 589160356 QUHJOQRXGNBPTL-UHFFFAOYSA-N 477.608 0.974 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(F)c1 608828251 OQXJRVOTTUNSOY-ZDUSSCGKSA-N 471.514 0.434 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CCNS(C)(=O)=O 608912795 DFBFMPWIUHRTNX-UHFFFAOYSA-N 476.624 0.441 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)s1 731205068 YFOXARSUKULKDQ-UHFFFAOYSA-N 467.638 0.854 30 20 JCED N#CCSc1ccccc1NC(=O)COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 753667922 XDGUGOKJYUFPRW-CYBMUJFWSA-N 464.525 0.949 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NS(=O)(=O)c2cccc(C#N)c2)c1 916809614 ILKKAJJDHLJJNS-UHFFFAOYSA-N 452.514 0.256 30 20 JCED CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918424420 UOMCVBVBVNXDIU-PJWCADQQSA-N 454.549 0.588 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)c1=O 921057005 HVCSCRINBLCSEU-UHFFFAOYSA-N 481.600 0.186 30 20 JCED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1150870513 ISECDXIVKSTPIA-HNNXBMFYSA-N 456.528 0.957 30 20 JCED C[C@H](CC(=O)NCC1(N2CCOCC2)CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1161232711 ZCINUQHSJDMOJE-MRXNPFEDSA-N 450.561 0.501 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 1443493384 WQNPPJWGONGULO-CQSZACIVSA-N 450.542 0.937 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1494919301 SBHKMPXVSOXLLW-YIOZNXECSA-N 456.569 0.137 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1([S@](C)=O)CC1 1541675603 QVHJPZLBSIWGLO-YHOYWCJOSA-N 471.591 0.704 30 20 JCED CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1552416679 NFOBBIZTTLLZCO-ZYSBOAIWSA-N 479.632 0.855 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1 1611308380 OUNKMYVBXPBUHU-CABCVRRESA-N 476.650 0.297 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705755775 YCEHEHKQGLPYOK-LSDHHAIUSA-N 473.987 0.404 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C 1708181477 RDFLFYLRDHSSRT-DOTOQJQBSA-N 457.560 0.765 30 20 JCED C[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1726747209 YUTQDLQXHDTVEW-OAFZBRQQSA-N 456.544 0.726 30 20 JCED CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1746685104 MRCSDVVUJWGJON-NRFANRHFSA-N 467.592 1.000 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2F)C1 1750211356 JRLQCXPKCHIMDR-RDJZCZTQSA-N 450.496 0.527 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccnc1N1CCOCC1 1751199417 JQMPQJSRXVJBLW-HZPDHXFCSA-N 462.580 0.907 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777703485 ZATDBQHCFBZFLV-UZQCKINESA-N 453.499 0.357 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778277715 YZLWCGDRVTXONI-GJZUVCINSA-N 483.613 0.999 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1778834873 AWVDLMUCKWMKLJ-YGKZAACZSA-N 463.531 0.845 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066664 DIDYFYOPGCOHLL-DEOSSOPVSA-N 466.575 0.585 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1779069700 FWCSHPSDEHVXKL-KXJNKWKMSA-N 478.523 0.812 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C/N=C/c2ccco2)C3)no1 1779433518 CJSHQKBMDSKPDG-SEBDPMNHSA-N 471.514 0.939 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780698847 SNDYUMQILRIQSE-OFNKIYASSA-N 450.499 0.472 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CN3CCNC3=N)C4)c2c1 1781204873 OTLCRPPOVNZFRP-WZONZLPQSA-N 464.530 0.402 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c(=O)[nH]c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n4cnnn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090433 QQDUIFRBUBNYHI-HRAATJIYSA-N 461.523 0.069 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C[C@@H]21 1788572934 UFPBVPLUVLZFCB-LEAZDLGRSA-N 479.599 0.793 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1789570766 SHCMYMLCPKHJPX-FLXRQSBHSA-N 455.540 0.954 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C[C@@H]21 1789955530 QOULXUXKYXKIGV-FZCLSBEQSA-N 458.519 0.725 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792629954 BLURCELWIFQELK-YYIAUSFCSA-N 493.609 0.282 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(Br)ccc1[N+](=O)[O-] 1792874222 NMUXCBLZWAZKOJ-DBWKPXFBSA-N 480.271 0.577 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1793598673 CCKDFTVMRHKODR-KRXQYRFLSA-N 461.519 0.443 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)N1CCOCC1)C2 1793832713 XYOAOVYUVUVZDH-NAIAOIPJSA-N 466.579 0.745 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796349739 DPYAYLDDNFFQDE-OCVGTWLNSA-N 475.502 0.008 30 20 JCED CC(C)CNC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1796465053 ZYQOJPCXLYHSRB-YWVIFJGQSA-N 467.448 0.947 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1799306453 GNPRVIWRHLMKOG-VXQHEEGCSA-N 467.522 0.995 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccnn1 1800271551 WDEWOZPRNQDBEM-DFBDCSAJSA-N 460.535 0.345 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800801502 KLTIOTBBPGQFQU-CLWJZODNSA-N 465.547 0.836 30 20 JCED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801447156 IQHYCSYJNGNCGD-XCDZQEORSA-N 460.600 0.998 30 20 JCED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc([C@@H](C)C#N)c2)c(=O)nc1O 1801766600 CCBPTPJRNOXFPN-CWWINAKGSA-N 465.510 0.788 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)(C)C)C2 1802126155 CNCBACVZFDEZIJ-SFNKJDCFSA-N 450.580 0.881 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)COCCOCCOCCOC)[C@@H]1c1cccnc1 1803553437 RDROIIKNUJHNPB-KIFXHHALSA-N 491.585 0.822 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1804090216 NUCXFDKPTTWCNV-BVTBEYEISA-N 455.519 0.111 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H](CNC(=O)CC#N)[C@@H]1c1cccnc1 1806290879 NSCMVPFJFJBFKA-GJYPPUQNSA-N 458.519 0.770 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810292594 ZXMYFBJLUBHRBT-ZKTZSGDISA-N 458.563 0.210 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCc3nc(O)nc(O)c3C2)n[nH]1 1815921772 WVBAQFPNTKYPTQ-XHDPSFHLSA-N 454.443 0.496 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnncc3C(=O)O)sc2C1 1820493487 MOXUDUQVBYTSNO-ISALQUGTSA-N 456.484 0.716 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828805961 GZEKXVJASUJMFS-FDDCHVKYSA-N 470.530 0.799 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1828808388 RNJCFQZOFQJTKX-MBSDFSHPSA-N 453.499 0.488 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CN)CCN3C(=O)OCc2ccccc2)c1 1829049683 JGLUDKWBCJQVDU-YADARESESA-N 479.541 0.238 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1829266762 DGKQVKCSXAOXQN-QFIPXVFZSA-N 459.524 0.890 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1829692523 VEKRWWSXXQOVJF-PNCHPQGNSA-N 467.563 0.637 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1830345929 HNYHNOFUFXOSPG-HNAWTQNHSA-N 477.514 0.756 30 20 JCED Cn1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)cn1 1830464503 HPMYOHQECHUDGX-XMMPIXPASA-N 451.527 0.923 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2)C1 1831133077 PLCCLJXXUURXJO-DVECYGJZSA-N 497.589 0.413 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1831401553 BPAHKLISWHMKBA-YTZAWJCFSA-N 493.557 0.407 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1831999089 PNZBYDFYDYCTTF-SBUREZEXSA-N 496.561 0.364 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1831999334 TWPIEYVVEAFLDC-HXOBKFHXSA-N 465.547 0.891 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832751360 SLIANKMMXIBOLH-WZONZLPQSA-N 459.568 0.966 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1cccs1 1833031940 SKODDAILYATVOO-YQNSVDCASA-N 477.587 0.406 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833172444 NBYJNFHKTCHIHC-KOSHJBKYSA-N 487.557 0.392 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3C(=O)OC(C)C)CCO2)C1 1833393305 OHRYKZHGLPWWOB-HOYKHHGWSA-N 473.526 0.755 30 20 JCED COc1nc(C)ccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677927 QWHFYEMGNLKSOQ-QHCPKHFHSA-N 459.547 0.751 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1 1835768458 HDQUCPLSQROJMP-PCCDRTMGSA-N 461.567 0.769 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CC)NC)CCO2)C1 1835916160 FVHYRZSLCKWGBV-PNCHPQGNSA-N 468.595 0.910 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CCO2 1836634395 DUGQFUFHOSHZCF-XLNZFTOWSA-N 479.574 0.738 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836989210 LVTYBQUCGQXEMT-HJPURHCSSA-N 457.483 0.126 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1837391743 VJDHZZPBJCKVQA-JHJFPORKSA-N 485.581 0.889 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n1 1837655712 UHVXMUOMVHHEJA-AREMUKBSSA-N 493.564 0.858 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838313768 LNSMFTPXVCQGRW-VFNWGFHPSA-N 465.507 0.609 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838404893 SRNVXFMSURSNGJ-VGSWGCGISA-N 454.568 0.437 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838426294 TYXHNQJEFIPJKH-SGCYSOCQSA-N 455.519 0.271 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn2[nH]cnc(=O)c12 1838471287 PGTSCUASMKJDRD-VWLOTQADSA-N 497.552 0.100 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1838471574 RCXMLTUOIDILDH-ZHRRBRCNSA-N 474.518 0.202 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)CCOC1 1838646980 QYOSJJCURNCKCT-XMMPIXPASA-N 493.557 0.757 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044628 PBMPLBYEIXZDQG-OPAMFIHVSA-N 462.572 0.560 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)ccc1F 1839187637 OEFMTZUMBAVHHI-JOCHJYFZSA-N 455.446 0.093 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1839388935 LPNSJGMCVFNWKP-NYYYPAOWSA-N 459.499 0.251 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c(Cl)c1 1839423340 VAVKCLLIUGJMED-JOCHJYFZSA-N 472.885 0.994 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c(Cl)c1 1839423573 KQRYRZWVXWEJLV-QFIPXVFZSA-N 460.918 0.904 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1840201170 IIIUOMQWKCVAGP-FQEVSTJZSA-N 487.862 0.826 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840344405 DXTTZTFVLMUGFK-URZJJNJKSA-N 487.557 0.796 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568610 FCEBODAEAVIAIO-FDDCHVKYSA-N 466.579 0.474 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)cc1C#N 1840763180 NFPCEEPYGVNLBL-QHCPKHFHSA-N 468.514 0.707 30 20 JCED CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CC1 1840818094 JLGUOKSKSBYVEY-XMMPIXPASA-N 456.543 0.735 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CC1 1840820540 VRPNICTXSQXIAM-QHCPKHFHSA-N 471.510 0.737 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1840844203 IZMFVSYVJMULPU-GKVQRAMASA-N 479.574 0.617 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1 1840906573 FQZARTXHRBFBRM-UZUQRXQVSA-N 475.546 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1840908383 ANBQHZNYYXTKKO-CYFREDJKSA-N 489.573 0.565 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC)C2)C1 1840908847 IQWPFVWNEOGLFY-IUKKYPGJSA-N 466.579 0.357 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)COCCOCCNC(=O)OC(C)(C)C)C1 1841434307 VNYCYLUPYAECQF-GOSISDBHSA-N 467.563 0.786 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)nc1 1844299757 PFPHMBJTYMTMKX-FNLSEGDXSA-N 450.517 0.831 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)C=CC3=O)C2)CC1 1846460791 DIOGUEVFSCLJCY-UHFFFAOYSA-N 485.541 0.656 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C1 1847099173 OIDXEYYDSBCXKM-SJORKVTESA-N 479.578 0.570 30 20 JCED CCCN(C(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 31295860 SUBISGBPEQKVIR-HKUYNNGSSA-N 482.628 0.679 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc3c(cc2Br)OCO3)c1=O 489593574 CUFVDQJJMQTUJT-UHFFFAOYSA-N 492.351 0.853 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)CCOc2ccc(Br)cc2)c1=O 504912319 UMPODBRQTWBYCV-UHFFFAOYSA-N 479.331 0.844 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 589160794 OFNAZBFZTLMDPC-UHFFFAOYSA-N 463.581 0.586 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C1CC1 590997604 BTLQLYIDYWZCNU-UHFFFAOYSA-N 450.314 0.970 30 20 JCED CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCNS(=O)(=O)CC)cn1 726108677 JJJLMWFCSVUJAI-OAHLLOKOSA-N 456.594 0.833 30 20 JCED CCCCn1c(=O)nc(O)c2c1nc(COC(=O)CNS(=O)(=O)c1ccccc1C#N)n2C 749274279 HWWXPZRKPQKCID-UHFFFAOYSA-N 474.499 0.529 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)CC2)o1 915375224 GPXKESGQZOMOOC-SFHVURJKSA-N 465.470 0.167 30 20 JCED CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918419207 BZRXPIXOTGKIFO-OQKWZONESA-N 464.548 0.264 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCOCC1 1288525464 OFMZSWXYGVUDDY-SJORKVTESA-N 469.612 0.460 30 20 JCED CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1295250636 RNJDNKHOYKURMK-DYESRHJHSA-N 461.544 0.894 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 1503462422 QRTHAYDOCLNBTF-MOPGFXCFSA-N 476.559 0.534 30 20 JCED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1504885270 WGTFGPLIPBZITE-MRXNPFEDSA-N 453.569 0.162 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCSC2)C1 1505141849 YBBMURVVYLQSHH-LPHOPBHVSA-N 470.621 0.609 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)CC1 1519548745 QGJDDPJBXSBFJI-UHFFFAOYSA-N 491.643 0.859 30 20 JCED CC(C)(C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1541197213 WHVCHXIEFJPASU-KUHUBIRLSA-N 471.559 0.358 30 20 JCED N#Cc1ccc(OCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1Br 1546242093 QMUQNUKNTQEPHZ-HZPDHXFCSA-N 458.334 0.314 30 20 JCED CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1548321451 XBYZTQOIHXVLBA-UHFFFAOYSA-N 472.575 0.428 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1617799773 SECAZHKCILPELI-XIFFEERXSA-N 472.571 0.935 30 20 JCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1654032433 PNZZKTRWZZDFCO-UHFFFAOYSA-N 459.576 0.402 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1711422457 PTPDQXZMRSDPEK-MRXNPFEDSA-N 463.539 0.669 30 20 JCED CS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1712711515 PBBPTNOVBNBXEC-SFHVURJKSA-N 455.544 0.944 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCO[C@H](C)C1 1726470795 KAXWCZJWUBCQKZ-KYHPRHEASA-N 451.597 0.880 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1730763819 KXLPNSWVUKGHFW-KRWDZBQOSA-N 456.569 0.404 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CCN1S(C)(=O)=O 1750350303 IHMRVNJZUDBTCC-HNNXBMFYSA-N 457.560 0.813 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1768432507 NYCPCLMYSQHDTJ-HTAPYJJXSA-N 460.558 0.785 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1778950876 NMMOWIIYFMGAKH-HKARXFIJSA-N 481.594 0.993 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779134902 PVJJCTHPADWKJP-LFDPDMFCSA-N 469.498 0.535 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779442763 FHOSAUDISGXUEB-NTQKPYKESA-N 454.487 0.415 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779949151 SMTXBZDBIYIQQJ-OAQYLSRUSA-N 458.544 0.481 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783614727 FCVXYYUNELPHIP-YTZAWJCFSA-N 495.573 0.696 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)c1ccc(O)cc1 1784013101 SHZSZBHFDNHXJJ-VNZMSGEBSA-N 473.526 0.784 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1784044722 JPVWTLUHOHUJTC-JSMQRPJFSA-N 476.574 0.812 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1788640281 YKKNAVVSRRTLHY-XODARUQUSA-N 489.500 0.714 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079276 BERTWTYJTURSAA-ATIWLJMLSA-N 463.531 0.748 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1792222925 DEWPLXFPUACUSH-UVPYHEFZSA-N 473.592 0.741 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C[C@H]1CCOC1)NC(=O)OC(C)(C)C)C2 1793342944 BGTRJAAWLFIYIQ-COXXTLHVSA-N 493.601 0.934 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793431996 FXHYZPBZCVJEQO-NRUGXNMXSA-N 466.579 0.947 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795080297 ZMDDXQWGEYHISW-KMWNMMNJSA-N 450.536 0.498 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796347110 FPBTWOZIUMMBSP-YALNPMBYSA-N 491.545 0.951 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Br)cnn1C 1796748986 VZVLGFKWOWTTGM-YWVIFJGQSA-N 469.336 0.895 30 20 JCED COC1(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)S)C3)CN(C(=O)OC(C)(C)C)C1 1797155288 IOHXHASQVYUZOV-MPTYRVRUSA-N 457.593 0.920 30 20 JCED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O)c1cccs1 1798095351 NEBBVPGURJBSSD-BPNQKZMOSA-N 456.480 0.879 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799199652 LITCLNGAAQLYSG-UWVPOSKDSA-N 481.590 0.377 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COC(=O)C(F)(F)F)C3)c(C#N)c1 1799240044 XEFXGEHFEUSVPI-CCWDJLKJSA-N 469.416 0.804 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(NC(C)=O)c1ccccc1F 1799405158 OFDDNSJXBBLUQY-KFMVCVINSA-N 459.518 0.805 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1801000408 OMWBKEABDCJEJY-AINOVGTFSA-N 457.527 0.924 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802084701 ZASAKCDDRATHDJ-IECFSIQFSA-N 483.562 0.624 30 20 JCED O=C(NC[C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1)c1n[nH]c2c1CS(=O)(=O)C2 1807737671 LRWQQDYVNTXILO-IIBYNOLFSA-N 453.524 0.966 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)CC1 1808164333 CUAHPVANVQUVNR-SLFFLAALSA-N 499.616 0.914 30 20 JCED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1812667923 JKUGLWWASFRPNG-CJNGLKHVSA-N 458.429 0.739 30 20 JCED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1)C(F)(F)F 1817816610 IKTZSLXPZJWSEC-LLVKDONJSA-N 451.369 0.960 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)sc2C1 1828307722 GACCLFWJSFHYTF-YDHLFZDLSA-N 493.586 0.862 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCN2C(=O)OCc1ccccc1 1828628108 SQCPEPCSYWQTGK-RUZDIDTESA-N 495.536 0.404 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1)N1CCN(C)CC1 1828807993 DBIABFAQHMTEGI-QFQXNSOFSA-N 496.612 0.988 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)[C@@H](N)CCC(N)=O)CCN3C(=O)OCc3ccccc3)C2)CC1 1828967747 OIAHLGRGTKEHAM-DFBJGRDBSA-N 496.568 0.335 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1829267731 ZTQUVCCAUVYQSC-VGSWGCGISA-N 451.487 0.319 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1829460375 MRCPXFMMMSOHPY-KBMIEXCESA-N 495.536 0.450 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3nccs3)C2)C1 1829766361 UYRXDVGIAGQWNE-QXTNZQRQSA-N 463.560 0.258 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)C2)C1 1829770426 OYFDGHSTGKWJCH-HILQUJMNSA-N 482.537 0.819 30 20 JCED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)o1 1829900353 BVOSGCHDVVNJHF-HSZRJFAPSA-N 453.499 0.925 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)cnc2c1 1830056843 XLHIMGBGVADKOI-HSZRJFAPSA-N 453.499 0.623 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1O 1830248603 UFEJDVPBDPAFNH-YPJMUEFNSA-N 491.541 0.929 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(Br)ccc1[N+](=O)[O-])CCO2 1830545480 JWDVOTNRPPOKRY-IBGZPJMESA-N 466.288 0.989 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831042824 GOOLMZFOILKILH-UZFJHSOTSA-N 483.562 0.531 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(C)(C)C 1831088160 FQHJXJUKRVUMLY-DAHHHLRYSA-N 462.547 0.706 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@H](C(=O)OC)C3)C2)C1 1831401366 AROMPPCUDFQRPM-GKAYAJSDSA-N 450.532 0.461 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)C2)C1 1831402331 VCWUTCSYBBBIJA-QXVOXHNYSA-N 491.585 0.881 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831990049 FYAOLMQXQWDCLR-DEOSSOPVSA-N 464.559 0.873 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1 1833272434 OEXDWETVAMTOFR-SFHVURJKSA-N 451.568 0.747 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2)C(F)(F)F 1833565800 VFJRRKYVCQNSKH-LJQANCHMSA-N 491.488 0.815 30 20 JCED CN1CCN(c2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cc2)CC1 1835339263 JMDDNITZKGEJBD-VWLOTQADSA-N 467.570 0.812 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835521642 VOHYMJJGXPVECE-HOIFWPIMSA-N 454.568 0.507 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1835642599 RYWIZTALIKYAQI-PNCHPQGNSA-N 499.609 0.486 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1835675330 NSPNAFHWHKCWKP-ZMXFDXOUSA-N 497.596 0.597 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1835677973 SCGYXQUPAQIZMS-JOCHJYFZSA-N 489.964 0.963 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(N)s2)CCO3)c1 1835845249 LFUBCBVURISZFM-OAQYLSRUSA-N 457.512 0.989 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5nc(Br)nn5c4)CCO3)C2)CC1 1836255427 BPMROCOBPDGUSI-HXUWFJFHSA-N 489.330 0.866 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837139264 WQPGCXIAVFKZNO-NPMXOYFQSA-N 472.498 0.692 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837201047 DVTYKHCDARNLFT-OFNKIYASSA-N 474.514 0.012 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c(O)c1OC 1837446347 JDHVVZZBPLMQBY-SKLAUCLBSA-N 490.557 0.951 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837491142 VMKWVAALJDZSMR-JOCHJYFZSA-N 460.487 0.692 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1837492687 OTURRNSVQFKQGK-YZIHRLCOSA-N 487.597 0.542 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1837525321 UKHGJYCFBHHTAP-OCNXCNKESA-N 480.562 0.374 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529048 OXZPINJCBLPAGI-UZIOCCCESA-N 459.565 0.131 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1837529131 PUDRPUHDAUKWLC-COQMUBBDSA-N 471.514 0.933 30 20 JCED O=C(NCC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1ccco1 1837562780 PKTYSRYHGTVFPL-JBMWNJKUSA-N 458.471 0.178 30 20 JCED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1)N1CCN(C)CC1 1837869973 DOLDFEHIUKUDIM-HXUWFJFHSA-N 476.666 0.903 30 20 JCED CC[S@@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838582627 WNXWXRVRCJVUAT-GHRAFVERSA-N 463.556 0.796 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)C2)C1 1839173361 LMMVGYAQHIPYRK-YZZKKUAISA-N 466.531 0.542 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187538 IJECISJZAGUJIV-UZUQRXQVSA-N 470.505 0.624 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2)c1ccc(O)cc1 1839237970 MPPKKJMGVDBLAT-YKSBVNFPSA-N 467.526 0.637 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839351153 SLBCJEAVYMGVAG-ZWGHOPNTSA-N 474.514 0.385 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452629 ODYCHQDTCKMPBA-NFBKMPQASA-N 458.515 0.088 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452632 ODYCHQDTCKMPBA-REWPJTCUSA-N 458.515 0.088 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1OC[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]13)CCO2 1840016803 YKIOIOFBYFUXHR-GBWYYYKWSA-N 491.585 0.738 30 20 JCED CC(C)(CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840040376 WZYJAVMJEKOVET-JOCHJYFZSA-N 467.519 0.224 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840071835 KYIWGVCTMYLHLE-PKKBDPGCSA-N 494.589 0.753 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840142594 SXZIUYODBGCRSS-UYOJLFFASA-N 476.574 0.670 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840180859 ITQCYNQGXVKJGU-FCHUYYIVSA-N 463.462 0.383 30 20 JCED CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1840799490 YLFYIRBCMHIREQ-YOHDVBOVSA-N 493.557 0.614 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)CCO2)C1 1840945931 NPOGUXPOGYBHAX-RAZUEPIFSA-N 497.564 0.829 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(C(=O)OC)cc3)CCO2)C1 1840957718 QKGIKDQZBVOFBI-KOSHJBKYSA-N 474.510 0.347 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(=O)OC)C1 1842650532 SUASCSLJPGGKSY-INIZCTEOSA-N 496.561 0.949 30 20 JCED O=C([C@@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844281951 KZBUXBWITCKTKT-MRXNPFEDSA-N 454.527 0.895 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 32717812 UXOYLACWPTWCCS-UHFFFAOYSA-N 493.611 0.428 30 20 JCED O=C(CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1CCS(=O)(=O)C1 509995257 GVPFFYYVIIOFKE-FQEVSTJZSA-N 453.520 0.835 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3c2OCO3)c1=O 511147033 ZSFMDDFYAKRJER-UHFFFAOYSA-N 459.524 0.331 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 728532614 DUHIRSDENRMGRS-UHFFFAOYSA-N 467.979 0.029 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)c(F)cc2Br)CC1 728590227 XUFJFQKOGPORHZ-UHFFFAOYSA-N 476.324 0.431 30 20 JCED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)nc1 730895168 HHTJMBNZGFWAAG-UHFFFAOYSA-N 486.506 0.804 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)s1 731204608 OMBRIKSXJOMIJW-UHFFFAOYSA-N 453.611 0.606 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OC(C)C)c2)c1=O 742531153 YDCSAGYXXXUQLM-MRXNPFEDSA-N 459.568 0.998 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2cc(C)ccc2F)CC1 744122156 XZEJZZSVSVHFFC-UHFFFAOYSA-N 480.569 0.747 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 753656096 XCSNWJRTGFBVJO-INIZCTEOSA-N 473.507 0.721 30 20 JCED C=CCOC(=O)c1sc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c(C(=O)OCC)c1C 774886765 AWSXSSHCRXPYFV-UHFFFAOYSA-N 489.510 0.962 30 20 JCED C#CCNC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 852963954 IBRFLXBKDRODDT-HNNXBMFYSA-N 469.947 0.634 30 20 JCED CC(=O)N1C[C@H](C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)Oc2ccccc21 915372316 IAZJTGMBHCRFJY-LJQANCHMSA-N 453.455 0.861 30 20 JCED Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 918274962 MTTVNHKRGXQABO-UHFFFAOYSA-N 490.563 0.742 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)c1 918452177 NXWFYTBJKRHSKL-BWAHOGKJSA-N 475.531 0.539 30 20 JCED C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(c3ccc(C#N)cn3)CC2)C1=O 918729336 HJVOTQSEDIMYSP-JOCHJYFZSA-N 468.539 0.903 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 919318987 RVLAGFFILPUOQP-UHFFFAOYSA-N 499.545 0.805 30 20 JCED CCNC(=O)CN1CCCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 920456126 WTMDCBXJZUGVBF-GOSISDBHSA-N 463.604 0.810 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1 1298327254 PULNAGAOSFUGBH-IBGZPJMESA-N 490.586 0.661 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCCCC1 1303863150 MUCYHSSWALCQSB-MJGOQNOKSA-N 464.640 0.941 30 20 JCED CCCN1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1307036003 VPTLHLQHRCPOQY-LNLFQRSKSA-N 464.640 0.797 30 20 JCED CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)NC)cc1OC 1314179931 WSMKPYHXPSSFNT-HNNXBMFYSA-N 450.521 0.630 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359077173 WGLHHJLNYCDPGO-NWDGAFQWSA-N 470.415 0.810 30 20 JCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1503810990 NVZRMSVNALMYCG-LJQANCHMSA-N 487.586 0.584 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1509782036 XSJNRMVBULSRIH-QGZVFWFLSA-N 466.589 0.768 30 20 JCED COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCN(c4cnccc4C#N)CC3)C2)cc1 1635076390 RBBDLNKDFVCOKB-UHFFFAOYSA-N 456.528 0.867 30 20 JCED N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2=O)cc1 1674716617 QDHHXIRAOXSHNQ-GOSISDBHSA-N 451.487 0.931 30 20 JCED COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1770138018 VWEZDZPRTLRBCC-LJQANCHMSA-N 475.571 0.740 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)C2)c1 1778115099 NEEUXNJXPJWUAR-QHCPKHFHSA-N 490.582 0.682 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccn(CCOC)n2)C1 1778241345 WORDABQGIWMCEO-OCOIBCLLSA-N 459.547 0.515 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779018012 ZQWWIPMWEHYHHB-LTZZLEMGSA-N 493.605 0.924 30 20 JCED Cn1c(=O)n(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)c2ccccc21 1779020109 YHAWKYBSZWTJGM-SFFGGSCWSA-N 468.558 0.642 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1779322887 MNCFSTKPMLRKLK-XMEVSZALSA-N 450.584 0.680 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOCC1)C2 1779421333 IHIRPNNUTFOIJR-JTKAJYQNSA-N 466.579 0.752 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cccc(C#N)c4Cl)C3)C2)CC1 1780190962 SLOGWLBFLMKLJS-HSZRJFAPSA-N 473.961 0.819 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781096812 IRJWSTCZHAJJNE-ZYLNGJIFSA-N 491.633 0.369 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1781310162 CKNZOOSPAZCDEA-HYBUGGRVSA-N 475.542 0.696 30 20 JCED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1781736532 MTSKEIQZRYHVRA-OBWXTZQISA-N 486.573 0.160 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)c2n1 1782886247 OOLXRDKRVWYCFI-QHCPKHFHSA-N 498.544 0.506 30 20 JCED CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783568133 NNSOTINMGLXCDH-OCJFHSIUSA-N 463.531 0.988 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784042123 AIHFJZLAFOQXTD-SAHWJRBASA-N 462.547 0.259 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cnnn4C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784086279 JOVIZDGXPAKWEQ-AOMKIAJQSA-N 460.535 0.824 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1784784409 MGYGZLCKYBHASJ-FKSLSLAPSA-N 478.590 0.962 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785331415 XJSICEJZMAUWIQ-SARNLOFESA-N 475.546 0.773 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1785595876 AIOGGMLFNLFEGR-DURYTUKUSA-N 489.577 0.619 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1785720134 PHXDAHGWXNGSBF-XMMPIXPASA-N 472.542 0.964 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)c1n[nH]c2c1CS(=O)(=O)C2 1787151416 CQEBQHJMYQKDFQ-ZWOKBUDYSA-N 468.535 0.483 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc(O)nc4O)[C@H]3C2)c1 1787427842 BGMGYSZLOWFBLF-WDSOQIARSA-N 451.483 0.986 30 20 JCED C[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1791051974 NNGTYHAUDYIVEG-OWSLCNJRSA-N 464.563 0.888 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1791071441 COXQVKJARSDUTR-OWSLCNJRSA-N 463.531 0.701 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380281 QJOVCMCCBFREDA-OYSTVDSJSA-N 476.574 0.810 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccco1 1792519669 DGELUECZOWRKFA-DARIXABFSA-N 461.515 0.819 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1)[C@@H]1SC(=N)NC1=O 1792557289 YDOJTVFBVRGSIV-DKWZOFSHSA-N 455.540 0.493 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOC)C2 1793595991 VIUOSMNCYNMLFS-ZMMAXQRCSA-N 455.552 0.708 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795470593 BPZJAOZSFWLQIN-CQVUMHHCSA-N 492.617 0.768 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)ccc12 1795923954 BGHXAVXMZRIXFH-OPVJXMOQSA-N 496.568 0.996 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1-c1cccc(=O)n1C 1795932722 DEEBUKUNPRIDNX-AYMMHLMVSA-N 469.542 0.674 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797816434 KCICEVQJGDPZCO-PTIYNHDHSA-N 463.531 0.860 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cscn2)C3)c1 1798576430 BVNMYISYWAJDKE-JSJNYSNDSA-N 455.540 0.797 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1799232730 YVLUGWQZTMKNLB-AJYBTWMASA-N 467.563 0.282 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1799395429 BLGGLAFPUUSULW-YCOHNSLCSA-N 482.578 0.747 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)O[C@H]2C1 1800732725 GXFYYZLVBANZLP-CZLFUSQZSA-N 462.547 0.904 30 20 JCED COc1c(Br)cccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778817 RTBSNQCWKZEDTH-DPIQGUFMSA-N 451.273 0.749 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800818941 VOXLKALGXXIEPN-KEWPSSGFSA-N 475.542 0.603 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1800996826 XAMDCVIRJRUVCR-DOHQYTNGSA-N 457.593 0.814 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)cc1F 1801871493 YQHQDFYGLXVPIL-CCWDJLKJSA-N 460.487 0.946 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cn1)C2 1802125183 SWVPRNBUMJBKEE-LORHWOILSA-N 458.515 0.907 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(N)=O)C2 1802128895 VHICDSJDCSUJAC-WOUAJJJCSA-N 484.553 0.905 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C2 1802138812 WIRMCAPAKRSSJI-NHWFWODHSA-N 478.590 0.960 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2 1802138883 YLDZQJYITRQXCX-LOAAXEFPSA-N 473.530 0.855 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803918776 VWJLYNKRMAESPD-KGVIQGDOSA-N 454.527 0.976 30 20 JCED CC(C)[C@H](S)C(=O)N1CCC2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 1806900139 YOJKCDQWPAJTKP-SFHVURJKSA-N 490.630 0.619 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1808434121 YEBKPMHVQWWVCQ-KPFFTGBYSA-N 480.587 0.925 30 20 JCED C[C@H](C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1)n1cnnn1 1810364241 NWJAMGKRBNJFFO-QTORRJMHSA-N 456.507 0.864 30 20 JCED C=CCC(=O)NC[C@@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1813053070 CERIHEIXPXZVFA-LPHOPBHVSA-N 465.514 0.111 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)CC1 1814035870 BGQFMILRRSXARX-AUSIDOKSSA-N 499.568 0.728 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829055963 SZEXIXAUNOPXGK-AVRWGWEMSA-N 498.536 0.393 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCN2C(=O)OCc1ccccc1 1829184057 VGZAILKDWWNRKZ-QHCPKHFHSA-N 452.467 0.866 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3C)C2)C1 1829764813 WUXRXPQNSPNMEF-NKTLJPPGSA-N 482.581 0.358 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccco4)no3)C2)C1 1829766064 JEURKZGXGPJBTN-UZQCKINESA-N 470.482 0.863 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1831392199 BZAYZTGQWPVZMV-UUOWRZLLSA-N 468.510 0.274 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)C2)C1 1831402462 HWHZABZRMDVNEO-RLTOQUHHSA-N 491.585 0.879 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1831427722 YWEKPIBQQSJBDL-HJPURHCSSA-N 459.499 0.679 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832005487 KQWOXFJKYIVGML-ZOCZFRKYSA-N 473.592 0.397 30 20 JCED COc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)ccn1 1832594741 NLYZKHVEAXKBCA-XMMPIXPASA-N 473.574 0.761 30 20 JCED COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1832767038 CDKACJBHYXDRQI-VWLOTQADSA-N 471.554 0.788 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833095569 AWNCXSWYPIWPST-DVECYGJZSA-N 489.573 0.565 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1833434328 WTFKWEBWIYDYTE-DEOSSOPVSA-N 472.542 0.644 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)cc1 1833761698 FVKWGWKRQNCLLA-FQEVSTJZSA-N 466.542 0.270 30 20 JCED Cc1onc(-c2ccccc2)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833916951 ZDRJIIHOTHSYBP-QHCPKHFHSA-N 453.451 0.808 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1834389797 QSMBGACTTZQTLB-YADARESESA-N 489.573 0.905 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCNC)CCO2)C1 1835668260 YPTMHPINYRRAID-FDDCHVKYSA-N 466.579 0.359 30 20 JCED Cc1nnc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)s1 1835675551 VZATYMDKPHKICS-NRFANRHFSA-N 464.592 0.517 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835677266 DJPLYEBPSSCUMQ-DEOSSOPVSA-N 469.542 0.919 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1835754310 YPIDJNPQWHNQPL-IIBYNOLFSA-N 467.563 0.644 30 20 JCED Nc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)s1 1835843192 KYFSUXFIAWHHRP-ASWIKEOKSA-N 453.521 0.324 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CC)NC)CCO2)C1 1835903843 FVHYRZSLCKWGBV-IUKKYPGJSA-N 468.595 0.910 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)CC2)CC1 1836726456 PGMXSFAKYXEUDU-RUZDIDTESA-N 489.617 0.469 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837208880 IBONRXGADOWQIB-DYESRHJHSA-N 480.905 0.346 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H](C(=O)OC)C3)C2)C1 1837391533 SCHVQCHIJUSZKF-ZHSNQQFMSA-N 452.548 0.605 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1837394428 AIVRCMRRZBZXBG-MBSDFSHPSA-N 478.546 0.805 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)cc(C(N)=O)cc3C)CCO2)C1 1837433699 GBKZUUFPNPWGRF-HOYKHHGWSA-N 457.527 0.511 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1837446753 OKLAMGVNOFYHGA-JKJLQIMHSA-N 454.531 0.876 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533094 KAAPKLFFSUJOTF-MNUQWNKMSA-N 486.525 0.922 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)no1 1837545676 NNNZPXTUSXJNMY-RUZDIDTESA-N 495.536 0.674 30 20 JCED CN1CCN(CC(=O)N2CCC(OC3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)CC1 1837869405 OHOXTNSRNBRTNG-UHFFFAOYSA-N 462.639 0.514 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(OC)nn4C)C3)C2)c1 1838580442 CAMWFTORQNGABD-QHCPKHFHSA-N 469.498 0.693 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838582368 LMIOTRXXINNOOB-WAIKUNEKSA-N 473.530 0.344 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1839227113 JVPSWOZPCZPIHY-NLSFWIRASA-N 474.514 0.978 30 20 JCED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)cccc1=O 1839420231 WYAYKDTUVBBXNW-HSZRJFAPSA-N 454.458 0.780 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)cc(C(F)(F)F)c1 1839443445 HTAOSKHCOJAVPW-WFXMLNOXSA-N 482.459 0.370 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839447982 HPTWRQZFXKLFCK-DEOSSOPVSA-N 458.511 0.866 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485914 BZLCIJLNFVYKBI-QMHKHESXSA-N 451.483 0.543 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc5c(c4)NC(=O)CS5)CCO3)C2)c1 1839578040 MYPOCQMIUYGUTO-QFIPXVFZSA-N 482.522 0.709 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839624348 DTJZERMIBKEMPO-XUHCNCODSA-N 473.509 0.410 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1839807682 FJCOCGJFTYWYQM-PDIWNELESA-N 465.547 0.084 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840158414 LLDQYHBLLXSKNY-WHSLLNHNSA-N 473.592 0.397 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@H]4NC(=O)NC4=O)C3)C2)cc1C#N 1840762639 HGNIXGQYMODJLV-HOYKHHGWSA-N 499.524 0.014 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841540630 CMWRPVWYBJFSGT-QGZVFWFLSA-N 460.579 0.760 30 20 JCED CC(C)CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 16635043 RAAYDZPBGRFVLS-IBGZPJMESA-N 482.628 0.536 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1-c1ccccc1 604434188 KKEDGEOXIAGZNB-UHFFFAOYSA-N 464.459 0.827 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 608778783 NSBYVXRJEBZMOQ-UHFFFAOYSA-N 486.506 0.407 30 20 JCED CN(CCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1)S(C)(=O)=O 726105395 BAHRUPVMQZDGLV-MBOBHEEDSA-N 467.617 0.874 30 20 JCED Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccnc3)c2=O)s1 727813654 BVZNMZDUEGVGMY-UHFFFAOYSA-N 467.576 0.674 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CC)CC1 729257261 YSBAEKWVHXZTAD-UHFFFAOYSA-N 452.515 0.292 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCS(C)(=O)=O 729675324 ZWAZKADPNYAZFC-UHFFFAOYSA-N 451.957 0.413 30 20 JCED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 754809166 DCFHQKPHHUOFCD-UHFFFAOYSA-N 452.471 0.541 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 769218635 WHMGPJQFPALUIY-UHFFFAOYSA-N 456.480 0.911 30 20 JCED CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 821714982 UVTOBRPCRJAYOY-ZDUSSCGKSA-N 451.501 0.459 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)cc1 858005621 SRMOECGKLGDISL-NVXWUHKLSA-N 470.569 0.569 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 913300420 IJQZNTLOXMWSNM-GOEBONIOSA-N 451.501 0.570 30 20 JCED NC(=O)CNC(=O)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 917214555 GOGODVMAQQKAMV-UHFFFAOYSA-N 457.512 0.037 30 20 JCED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918303735 QRXSTTJUXYNEDH-PLRJNAJWSA-N 492.602 0.107 30 20 JCED C[C@H](Sc1ncccn1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919626567 SISYVHRTXVDPQN-HNNXBMFYSA-N 475.552 0.905 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccccc1F 1541804581 YNJDQIWVCYKAPI-QAPCUYQASA-N 493.565 0.918 30 20 JCED N#CC[C@]1(O)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1638968602 RSLWLPMOVRIZBI-FQEVSTJZSA-N 452.508 0.316 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC1 1695933754 RUWYFOZPODHVPL-UHFFFAOYSA-N 488.618 0.403 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCCC2=O)C1 1712707177 XDLQCZWFDGAOOE-ZWKOTPCHSA-N 495.606 0.132 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CCN1S(C)(=O)=O 1712846242 VESIDMOEXUEQAD-DOTOQJQBSA-N 478.600 0.722 30 20 JCED COc1ccc(F)cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1748844985 DKPALISRPAQYLE-WMZOPIPTSA-N 480.522 0.536 30 20 JCED C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1751283269 NXMSFPXWYVXBEP-HSZRJFAPSA-N 467.530 0.679 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)C2CCN(S(C)(=O)=O)CC2)CCO3)c1 1780174130 OLPDFGMNVVEJLM-QHCPKHFHSA-N 490.582 0.682 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)NC=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1781254198 FPLGERJJHYHEKG-JLHGSKIFSA-N 450.536 0.516 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1782804166 UMCYOZBUEPNHHC-ZEQRLZLVSA-N 456.543 0.995 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(N)=O)C2 1783271539 IDFBOYOFJDAJAB-ZBWOKKAISA-N 479.578 0.638 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3cc(Br)ccc3n1)CCO2 1783563809 AKVWXRXLOSEKOT-LJQANCHMSA-N 461.272 0.628 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3cc(Br)ccn3n1)CCO2 1783565067 PACJBFXPAWDAJW-LJQANCHMSA-N 461.272 0.628 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1783581797 WEERTEWOUBPBLK-JOTIYABQSA-N 461.559 0.989 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@H]4NC(=O)NC4=O)[C@H]3C2)c(O)n1 1785151907 QKHPKMGRHPYNTI-RUGDWHBFSA-N 471.514 0.097 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1 1786901416 XBAJPBMUEGFFEN-YZZQMHEZSA-N 494.589 0.498 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787515396 WWLPUPJJCDHKHR-VMXHOPILSA-N 493.557 0.374 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787537479 WRZAFUZLVUTDHO-VKRLORBYSA-N 452.511 0.797 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCOCC4)n3)[C@H]2C1 1787656696 MXZPVFFWOLREBB-ZJOUEHCJSA-N 484.601 0.793 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1789838148 COXQVKJARSDUTR-XSLAGTTESA-N 463.531 0.701 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cccc([N+](=O)[O-])c4=O)[C@H]3C2)cc1 1790655196 UBABHIUMAWSJJF-BJLQDIEVSA-N 465.466 0.922 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)[C@H]2C1 1790685991 BQYDSKIUYYARHP-JLCRNFDHSA-N 486.569 0.640 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1792266738 QBAVBODXXVQBQF-LKBVBZQSSA-N 489.577 0.683 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1792561794 GJHBUMVOESFCNW-BQVFVJDASA-N 468.554 0.662 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1793595464 MUBQBRYNAGHIHG-ORDFZIBCSA-N 450.536 0.324 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1793772732 AOAGPSQFDXDCME-LMGVVVSRSA-N 475.929 0.693 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795583353 ZLZDLJJCHVQYLE-JJTUDDRGSA-N 458.625 0.773 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 1797140714 FBMNXNHXFUNSKJ-WKCHPHFGSA-N 474.583 0.742 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1797704239 MCLQMAMFEGIOQW-UKBAYJJMSA-N 450.557 0.866 30 20 JCED Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/N3CCCCC3)c(C)n2n1 1797742207 KAEPGYOXHXBUHH-SESRIWRTSA-N 454.535 0.416 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1797812575 VYFMHJWDCUOJLD-LOZNHANFSA-N 472.498 0.840 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c1Cl 1798589385 HWQXDLUXUSLCRI-CWPLJXCYSA-N 480.974 0.145 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798690918 NTBQCUGDNUMXGC-UKBAYJJMSA-N 473.530 0.725 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCO 1800153529 ZRMAASPRPHHAST-MHORFTMASA-N 498.577 0.439 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@](C)(O)CC(=O)O)N(C(=O)OC(C)(C)C)C1 1801008171 QLPJCGUERYQYGK-SLMNMNMESA-N 495.573 0.757 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CC2)C1 1804857990 CVIMKLQXEMQICN-FQQSSWHASA-N 464.563 0.919 30 20 JCED Cn1ncc(Br)c1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808927198 OBQPMEMXDGGHAZ-DYVFJYSZSA-N 460.288 0.985 30 20 JCED Nc1n[nH]c(CCC(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2c2cccnc2)n1 1810152131 ORHGMHWDNKQQAJ-RWQWXENRSA-N 470.534 0.950 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810292596 ZXMYFBJLUBHRBT-ZVGYYSIRSA-N 458.563 0.210 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1811406554 OSJOAWRNSZFDID-HTAPYJJXSA-N 476.493 0.833 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1812716938 JMERENWVJRCYJZ-XUZZJYLKSA-N 465.554 0.868 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCN(C(C)=O)CC2)[nH]n1 1814438338 LYOGDTHEPAPPKK-QULHZPMSSA-N 471.562 0.424 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)c1 1815064532 RVULCQMUIQIMBM-DZGCQCFKSA-N 456.528 0.842 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819846671 RIQISQXBBLHWPS-UGSOOPFHSA-N 464.544 0.818 30 20 JCED Cn1c(=O)n(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)c2ccccc21 1822201699 QPDBVMKMRUUPPZ-HNNXBMFYSA-N 450.455 0.843 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncc(OC)c3)C2)C1 1829764444 LVJMTHUNWLEYDA-ZKWSMMDQSA-N 472.542 0.338 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1829771099 DZBKVOFIQIKVRD-UZQCKINESA-N 453.499 0.263 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)c1ccccc1 1830044253 AIPLZFCEDXNWJZ-PXDATVDWSA-N 470.570 0.911 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830460202 DVQGWANPWCJFFK-HSZRJFAPSA-N 473.599 0.431 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1831392196 BZAYZTGQWPVZMV-MHECFPHRSA-N 468.510 0.274 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1831402595 LNEMDVJPOSHFRO-KSFYIVLOSA-N 461.471 0.712 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)ccc1F 1833314753 LFKROZDUPFAVCG-XMMPIXPASA-N 481.484 0.504 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1833433672 HNCQKDDDLZTBQU-FDCKDHBTSA-N 460.535 0.417 30 20 JCED CN1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833709723 DZAAPHTYWGUIJS-JOCHJYFZSA-N 452.555 0.703 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834676245 ZDHITNQGFTZWDD-GOSISDBHSA-N 479.626 0.510 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116805 CCARAOXONXSPSK-GOSISDBHSA-N 470.636 0.575 30 20 JCED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1835244766 ADJSMMFOSYEPTJ-NRFANRHFSA-N 451.907 0.945 30 20 JCED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CCC4)CC3)CC2)CC1 1835513311 VERPUSWOJKFCOC-UHFFFAOYSA-N 458.607 0.416 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1835717898 RQZYVTPUMIKLQT-INIZCTEOSA-N 462.513 0.810 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732581 MLBIOJFULYHFPE-WDRHXJDGSA-N 465.595 0.646 30 20 JCED Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)n1 1836062369 LVVIDRJCSWENCU-HSZRJFAPSA-N 455.490 0.672 30 20 JCED Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)c1 1836200691 TUHHEKXUIHQHMS-HSZRJFAPSA-N 455.490 0.901 30 20 JCED COCCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1836551184 LAWPFSYOLHSANN-XMMPIXPASA-N 474.558 0.298 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)c1 1836780370 AVNNQRXSSCOLEG-VWLOTQADSA-N 492.536 0.581 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3[nH]nc(Br)c3c1)CCO2 1837153867 KCGVGFFNVGPXNV-FQEVSTJZSA-N 491.298 0.483 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1)c1ccc(O)cc1 1837277468 KTDXBGXPLNDIIB-DFBJGRDBSA-N 496.568 0.679 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)o1 1837452973 PFBBSIAUAVHLGQ-IFXSCVBMSA-N 478.502 0.837 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837490465 FZEHXRIWXOEGOS-QFIPXVFZSA-N 462.934 0.899 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1)c1ccccc1 1837612644 HSINQNMWIONTDK-OZXSUGGESA-N 469.582 0.972 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1)c1ccccc1 1837613229 YOARKGLAFOVRFL-BWKNWUBXSA-N 467.570 0.480 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(OC)n(C)n4)C3)C2)c1 1838582262 IDPBWJRJNYSAQD-HSZRJFAPSA-N 469.498 0.693 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c1Cl 1838595569 WHLFNFRAUBAHNT-HSZRJFAPSA-N 486.912 0.597 30 20 JCED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c(-n2nccn2)c1 1838630123 AKESMDDMXATHJX-HSZRJFAPSA-N 450.499 0.950 30 20 JCED CN(CC(=O)N1CCC(OC2CCN(C(=O)COc3ccccc3C#N)CC2)CC1)C(=O)C(=O)O 1838730129 AHVBFSZKUMFJGB-UHFFFAOYSA-N 486.525 0.479 30 20 JCED CN(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131313 WIFJZHFFHCAQGF-XMMPIXPASA-N 493.605 0.545 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CCOC1 1839191340 FPYXVWVDVSNLAN-ZEQRLZLVSA-N 477.558 0.540 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=N)N)C3)C2)cc(C(F)(F)F)c1 1839443290 YWIJHQMRAOIEBO-IBGZPJMESA-N 468.436 0.130 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839622748 RVHQZADYSUIYRV-FDDCHVKYSA-N 476.578 0.590 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1840158455 LYJYMCJQNIPAJR-WAIKUNEKSA-N 475.567 0.838 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(OCC)OCC)CCO2)C1 1840282620 HPYNDGZDFQKUGR-JOCHJYFZSA-N 456.536 0.741 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCn5ccnn5)CCO4)C3)c2c1 1840448798 JVGVLVXMVASCKG-QFIPXVFZSA-N 464.486 0.186 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466903 CRIGQQTWKDIBCS-YADARESESA-N 489.573 0.336 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1)NC(=O)OC(C)(C)C 1840795358 DMNMKRFUMLAGPN-GAJHUEQPSA-N 492.577 0.745 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)C(F)(F)F 1840818683 PTNSCFDBSWFTFZ-PMACEKPBSA-N 471.432 0.707 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1840819154 SAHHCFITZYTEIO-OFVILXPXSA-N 479.537 0.879 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1cncn1 1840820785 JXVYJOBGCPJYDR-HTAPYJJXSA-N 454.487 0.246 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2(N3CCN(C)CC3)CC2)C1 1845104220 ZVUMXDFDJWDPIW-LJQANCHMSA-N 473.618 0.886 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCNC2=O 1847939399 FVPGXSKWYYNUIT-XIRDDKMYSA-N 472.546 0.911 30 20 JCED Cn1c(O)nc(N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)cc1=O 2048529443 XQOIHWIJMSZSSP-QGZVFWFLSA-N 481.488 0.486 30 20 JCED Cn1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3)c2)c1=O 11458645 BXOPIPBMGWHYHP-UHFFFAOYSA-N 458.500 0.308 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC)c1=O 500550342 DAGAJVJEHJORJF-UHFFFAOYSA-N 458.496 0.598 30 20 JCED CCc1ccccc1-n1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccnn2C)c1=O 502059868 ZBRIDVJRZZRIOU-OAHLLOKOSA-N 451.552 0.849 30 20 JCED C=CCN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 512084723 QTZHQJZNDBYXML-HNNXBMFYSA-N 458.558 0.718 30 20 JCED C=CCN(C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)[C@@H]1CCS(=O)(=O)C1 512098730 KRPKNKQXHYAISP-LJQANCHMSA-N 455.602 0.649 30 20 JCED COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 517113501 SRHZXRLMJFUWGA-UHFFFAOYSA-N 473.467 0.947 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc(OC)c3)c2=O)cn1 523859923 NUGHZSVFOUQEPE-UHFFFAOYSA-N 465.535 0.486 30 20 JCED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 603592264 DZEHTCXZYCJEBS-UHFFFAOYSA-N 451.530 0.843 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(N)=O 608911462 GOSMXWSYJXTSJM-UHFFFAOYSA-N 453.351 0.977 30 20 JCED N#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 609338698 GAVDXNMTNXGPRU-MRXNPFEDSA-N 455.562 0.261 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)COCC2CC2)cc1 749042993 LBEKLADKQVRTHH-PDNPPFGYSA-N 452.533 0.342 30 20 JCED CCOC(=O)c1cnn2c(O)cc(COC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)nc12 918818500 RONHFTZDWVVWEJ-UHFFFAOYSA-N 473.467 0.784 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(c2ccncc2)CC1 1288870820 QYCALBBQUOPHGZ-VQIMIIECSA-N 474.591 0.929 30 20 JCED N#Cc1cccnc1NCc1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 1292655433 PKOJSKCQEWKABT-PMACEKPBSA-N 455.540 0.793 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1298283782 OBZCRTXYIBUMEF-NRFANRHFSA-N 458.544 0.572 30 20 JCED COc1cc([C@H](C#N)NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc(OC)c1OC 1325965283 BQXDEWJXAFBVBD-KKUMJFAQSA-N 451.501 0.429 30 20 JCED CC[S@@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1516869373 IFBODGITHYILKB-FZEVHQGJSA-N 480.616 0.888 30 20 JCED C[C@H]1COCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1613011780 VVDOOQHHINIKPV-FUHWJXTLSA-N 460.560 0.798 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CCO1 1618691682 ZYPIMGCPOUQPEZ-SFHVURJKSA-N 453.503 0.017 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C1CC1)N(C)C 1692796777 SLRLQEPNQYAZBZ-QGTPRVQTSA-N 450.613 0.405 30 20 JCED Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1707551399 NCGJFKQVKBYRGA-GOSISDBHSA-N 461.544 0.834 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CCO1 1760668773 QWQNCTTZWMTVDO-DYESRHJHSA-N 453.547 0.879 30 20 JCED CC(C)CCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCS(=O)(=O)C1 1761078346 UATORCQNPKKJKO-FQEVSTJZSA-N 452.581 0.716 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCNS(C)(=O)=O)CCOC1 1765912497 IZBKWZIWAMJCPW-QFIPXVFZSA-N 489.602 0.678 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)c(C)n2n1 1777779624 BLLIDYGNPZVBPT-QFIPXVFZSA-N 454.535 0.467 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779398488 RAFKTDNQCZLBCJ-YFXJRYMSSA-N 464.559 0.815 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](O)N3CCOCC3)C2)cc1 1779411031 VMEWJKNGRKOTRS-AGILITTLSA-N 456.543 0.265 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c(C#N)c1 1781175000 WKVDJDDHIOVBEM-XMMPIXPASA-N 463.494 0.747 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1781187255 DSPUSVYQFNUMMV-OPAMFIHVSA-N 466.535 0.967 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)no1 1782195176 PFPOZCUBEHKMDZ-QHCPKHFHSA-N 477.481 0.605 30 20 JCED CC#C[C@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2)c1ccc(O)cc1 1782259459 UJANADXPDOAUQV-DRMXPCRNSA-N 455.559 0.886 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)CO1)CCO2 1783052958 KKZFAEMOHJSCKJ-MGPUTAFESA-N 457.474 0.721 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1783268335 HAIGRKLQOAOTSX-UTBIRPSLSA-N 493.605 0.010 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4CN3)C[C@@H]21 1783531233 LFCVWTZBMMHKKB-MBJUWTOCSA-N 452.555 0.539 30 20 JCED CC(C)(C)OC(=O)N1[C@@H]2C[C@H](F)[C@H](C2)[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567058 DKJWFIZGPHXAOU-FKJUYZFESA-N 479.505 0.640 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1783641524 CNOMTNRAYMGBRY-MBPAZGTNSA-N 479.574 0.615 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1783892597 BDHGXYJCNDBOID-VFNWGFHPSA-N 460.560 0.328 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088709 QEVTWJJKCYRBHN-VWMXVWASSA-N 495.573 0.998 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1785378598 KUUIECALQLLBRA-HSZRJFAPSA-N 462.466 0.829 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786694831 UJYPLUROIGCGRD-FJIDUMEYSA-N 462.547 0.906 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1787392642 OIEGLYVJBMDKIF-TUFLPTIASA-N 486.569 0.966 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788659314 XUZLQWAYZFKNFD-GBMNOEEQSA-N 453.540 0.203 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1788776752 JMXFXEFZPDJZND-HUUJSLGLSA-N 458.515 0.068 30 20 JCED CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]43)cc2C1 1790523246 VTABEYXFPFULPZ-CUWPLCDZSA-N 471.606 0.594 30 20 JCED COc1cc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc(OC)c1OC 1790784827 IDHWFDKPLZCMBD-UWKLHEQASA-N 472.494 0.793 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(C)=O)[C@H]2C1 1790869432 OBFXDEWBKQORGL-GBBGEASQSA-N 464.563 0.407 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1793349496 VHKMFVKLDGZQDC-AJYBTWMASA-N 468.595 0.801 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccn3c(O)nnc23)ccc1F 1796288926 QMXKORBBTUHZQQ-CWPLJXCYSA-N 464.457 0.892 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1 1797725718 NQJOBUDQYBFXCF-XNTOXWQXSA-N 483.521 0.875 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1797811839 ZARYFZPKKFIFTQ-MNRZRQKZSA-N 487.557 0.650 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815233 LKPZTEPMPFHYJC-INLMFVPISA-N 498.577 0.381 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)[C@@H](O)C1 1799197388 YTXKWXWVGUFQRL-QEOTZNIISA-N 450.536 0.354 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2 1799320855 RTNYSGWCKOSRMB-YYIAUSFCSA-N 462.551 0.878 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1801052579 SXYVSTLZMJZKEW-FIEAQMJYSA-N 473.530 0.461 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2)NC(=O)OC(C)(C)C 1801932225 VYHMNTSCUWSSBP-UIVXKWKOSA-N 452.552 0.701 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H](NC)C(=O)O)C2 1804374603 YHNZDJLKPQJGDI-BQJWPVKWSA-N 450.536 0.604 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807120136 JPWAYKCNHMNNRG-SVFBPWRDSA-N 497.600 0.844 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815329606 DASSOAWLWULIEC-PGCIDKTFSA-N 469.531 0.572 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1829334864 OHQKACYFEFIFOH-VWLOTQADSA-N 492.488 0.474 30 20 JCED CN1CC(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)C1 1829334997 QEQJDTOWOBXHJC-DEOSSOPVSA-N 468.510 0.088 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1829766300 QJMMSMPPGZTBFO-YLKSCKIRSA-N 494.589 0.605 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1829770540 XJZHMVBAARIXNR-IYZQMXKPSA-N 453.499 0.263 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2)c1ccc(O)cc1 1829958827 BRMALHJVSGZXID-IPVFLDMMSA-N 483.565 0.872 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1829960889 YOIWUDKBZUBZME-HOOSLVGPSA-N 494.589 0.438 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830050508 LWHMLBVIIMYOPY-OPAMFIHVSA-N 468.551 0.268 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1830462270 AWIGXQKDVKOYTQ-REWPJTCUSA-N 475.567 0.524 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)CCO2)C1 1830886908 MFDOUSDHAVMGQK-IVZHQMGZSA-N 471.576 0.340 30 20 JCED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(=O)c1ccccc1 1831145692 RTVSVRBMEHMYEM-RUZDIDTESA-N 485.585 0.497 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209262 UMWMTRDLRBSTLR-FDDCHVKYSA-N 465.547 0.132 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1831345949 SQOGYOWLFTWNDG-HTAPYJJXSA-N 463.556 0.818 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1831409712 XGZQMUIYCZSGNJ-RUZDIDTESA-N 486.569 0.779 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1831432861 ORKWBORUMIUHFD-QRQCRPRQSA-N 479.486 0.970 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)c(C#N)c1 1832800198 LODFBYVYRYKMTC-QHCPKHFHSA-N 498.496 0.371 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nc1 1833647168 ARRQQYLRTZKJFW-XTVKVDEJSA-N 458.563 0.689 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnnn4C)C3)C2)c(O)n1 1833696301 AIHHSEXZIWULMM-JOCHJYFZSA-N 456.503 0.418 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834401397 HUXACMGQPATDRX-HXOBKFHXSA-N 475.546 0.407 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1)CCO2 1835063606 FOLPJKXSRXPNRB-HMLKYZKVSA-N 457.527 0.553 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccn(CCOC)n3)CC2)CC1 1835185270 ZYPGFCWFUYCWKJ-PLNGDYQASA-N 472.590 0.573 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCNC)CCO2)C1 1835668266 YPTMHPINYRRAID-MBSDFSHPSA-N 466.579 0.359 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)COc3cccnn3)CC2)CC1 1835732540 IYQFNVUAHDHEIF-KOEQRZSOSA-N 457.579 0.899 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CCc3ncccc3-4)CC2)CC1 1836095215 RTXBIYIORHTCSI-UHFFFAOYSA-N 476.537 0.844 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)c1 1836258080 RQOKNDFVSHJGNJ-JOCHJYFZSA-N 485.522 0.094 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836350344 BBFOZIZKIOBRLQ-OPAMFIHVSA-N 478.550 0.734 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CN(Cc4ccccc4)CCO2)CCO3)c1 1836688479 VIYHSKVXFSOMBQ-JYFHCDHNSA-N 493.564 0.857 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1837394476 BHVVQCUTCUNNPI-XMSQKQJNSA-N 481.571 0.128 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1837525339 UNTAYCMHKSJVQX-FRBZJCMESA-N 456.883 0.927 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837531278 HFCQUUNAJJEPOD-WBOUNHBKSA-N 490.439 0.423 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1837560192 SKXJCBLSQLSHBU-JJDHCWFKSA-N 466.498 0.600 30 20 JCED COCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(OC)cc4C#N)CCO3)C2)CC1 1839131560 KUVWLAGFZUZVBA-XMMPIXPASA-N 457.527 0.992 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1839224968 ULVWKKRJFZKNDZ-IXFSTUDKSA-N 499.609 0.486 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(Br)c1[N+](=O)[O-])CCO2 1839409467 BLTOAMJWTMRLIV-IBGZPJMESA-N 496.270 0.515 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1onc3ccccc13)CCO2 1839544432 ARURAPMVUQYWNN-YLNCNTMDSA-N 454.483 0.756 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnc4C)CCO3)C2)c1 1839715016 BLBZEHCMGVPTDE-QHCPKHFHSA-N 453.499 0.842 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1840165823 LJXVKAVGPMQATE-BFUOFWGJSA-N 460.549 0.618 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(c4cc(OC)ncn4)CC3)C2)C1 1840166404 GWZFBOHIYMHHSI-RUZDIDTESA-N 485.585 0.962 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840261130 OJIVRJMNJRSZIP-HSZRJFAPSA-N 471.897 0.073 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840326955 IPGLGVSOAFKVOM-HSZRJFAPSA-N 453.499 0.749 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CCO2)C1 1840610364 HSNHHUTWUXIAGH-PMYBCWHUSA-N 491.585 0.805 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)N1C[C@H]2C[C@H]2C1 1840819834 IERLCTUCBVKDIH-ZHBILRMLSA-N 468.554 0.734 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ocnc3C)C2)C1 1840906746 JBXKBAJRRRHLQG-SBUREZEXSA-N 476.530 0.970 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1840912195 BSYQARYQBFTSHP-GAZXMLTASA-N 489.573 0.878 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)N3CCOCC3)C2)CC1 1844296917 IZSTWYSAOJDQMT-GOSISDBHSA-N 491.589 0.381 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844674720 QABSBCNGOOMZIB-INIZCTEOSA-N 480.525 0.823 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](COC)NC(C)=O)C2 1847082941 VDFUWJDEDMMKRN-SEPYTNNBSA-N 464.563 0.810 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 1847262908 OBOVJBJCWHDROE-LJKFFZRWSA-N 462.547 0.730 30 20 JCED COc1ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 10474250 WHXTVHDIJIMRAD-FQEVSTJZSA-N 451.501 0.681 30 20 JCED CCS(=O)(=O)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3)c2)CC1 109636232 SPAOBUGTSDXVDB-UHFFFAOYSA-N 485.632 0.843 30 20 JCED COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 521286654 DKHMWNYQGLJBFX-UHFFFAOYSA-N 470.507 0.745 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522538273 ZRZNALFFRCOKQN-UHFFFAOYSA-N 486.575 0.618 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 523251852 NCKUECKXUOUYJL-UHFFFAOYSA-N 480.571 0.977 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 603795772 RHNLJQUNFHQFPM-UHFFFAOYSA-N 485.562 0.485 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 725763920 ZWRJRKQTGGFEMH-UHFFFAOYSA-N 479.562 0.669 30 20 JCED C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 726294586 VHGXAZQFWVTQEO-SAZKUCFMSA-N 451.549 0.275 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)CC1 728534604 OHAVVXFUJJXSNQ-UHFFFAOYSA-N 489.642 0.825 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 811834214 MOVSPOGDJCTJLU-UHFFFAOYSA-N 484.577 0.791 30 20 JCED CN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1(C#N)CCCCC1 912685762 XXVLGHBUCDCVNS-UHFFFAOYSA-N 462.528 0.649 30 20 JCED CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)n(C)c1 915382308 XBMNSFDVRIPVNT-UHFFFAOYSA-N 492.558 0.729 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)c1 918257820 LOXYEVFODQQTLJ-DIBXZPPDSA-N 482.526 0.730 30 20 JCED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 918319537 PQXGNFSDDXJRCM-UHFFFAOYSA-N 468.539 0.441 30 20 JCED C[C@@H](OC[C@@H]1CCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 921094849 INRBGQAAPWCFLI-AEFFLSMTSA-N 465.528 0.518 30 20 JCED CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C[C@@H](O)CN1CCOCC1 1191477168 VJEVTZFIAOANBI-MOPGFXCFSA-N 459.591 0.981 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2\S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCOC2)cc1 1325621993 NXIKRLPMUMXGNO-DSFCABCKSA-N 466.585 0.839 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 1472525069 XCDIXRQQYWYBDC-RHSMWYFYSA-N 452.533 0.977 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCNS(C)(=O)=O)C1 1510292122 MYBBNGKDESUKAL-SFHVURJKSA-N 451.578 0.949 30 20 JCED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1517583514 SDMRTZCXXZYTTR-UHFFFAOYSA-N 468.562 0.465 30 20 JCED CS(=O)(=O)c1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1519505519 PLXCSBYXSUGXNV-KRWDZBQOSA-N 458.544 0.889 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC(=O)NCC(F)(F)F)CC2)c1C#N 1543001676 YUNUNHBAZIRFQQ-UHFFFAOYSA-N 496.498 0.335 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CCO1 1596634206 QEAYOXDXKKIXMD-UTKZUKDTSA-N 453.547 0.879 30 20 JCED CN(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617714008 XHYQXSIIYQVKTF-UHFFFAOYSA-N 481.586 0.749 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC(=O)NCC(F)(F)F)cc1 1698489359 SWAREHOCIQVMLL-UHFFFAOYSA-N 456.450 0.976 30 20 JCED N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC1 1698491889 RGYUEBZOXPHMSO-KRWDZBQOSA-N 450.565 0.559 30 20 JCED CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1710876040 NCFGBCYOEJPBAO-INIZCTEOSA-N 458.548 0.257 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(C2CC2)C1 1723779349 LNEVPEINAGGHLM-RYRKJORJSA-N 451.597 0.834 30 20 JCED CCN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1728265644 YLYZAJVBIWAGMJ-BEFAXECRSA-N 453.569 0.219 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CCO1 1729683255 XLDOMLSCANFPMB-LJQANCHMSA-N 453.547 0.879 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1740738705 KGEKFEZLAGWZET-LLVKDONJSA-N 485.430 0.315 30 20 JCED C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1740802268 JUWQPGXRPNOLFT-SFHVURJKSA-N 465.601 0.975 30 20 JCED CCc1nn(C)c(OC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1744510133 ZEORVHIOOSUFPK-ZDUSSCGKSA-N 450.569 0.981 30 20 JCED CCN1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CC1 1746469726 XVWNCHOGIFRCAP-MOPGFXCFSA-N 482.655 0.377 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CCO1 1748222989 LLXYSZXGSZWBOM-IHPCNDPISA-N 470.530 0.731 30 20 JCED C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1749243043 ZFKAJIWPBBCNAQ-APWZRJJASA-N 462.576 0.943 30 20 JCED C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1749243044 ZFKAJIWPBBCNAQ-LPHOPBHVSA-N 462.576 0.943 30 20 JCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760607672 XPGWELTYXNTAEF-UHFFFAOYSA-N 458.544 0.425 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCN1S(C)(=O)=O 1771503435 JJBOPEYONSREDD-INIZCTEOSA-N 475.575 0.677 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1778964826 JBEXXVMABIVEEJ-WKVINZIJSA-N 473.570 0.569 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1779402940 SBNMCNIMGWCELS-FZONSQQESA-N 468.547 0.568 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO3)c1 1780176004 VPKXUFLYPZTTKZ-OFNKIYASSA-N 473.482 0.505 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1781169460 QYZGXKPOQFAVRS-YZZKKUAISA-N 464.563 0.648 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781383659 MBEHOZYLIFTYFN-HSZRJFAPSA-N 454.564 0.706 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C2 1781693401 MHWQPMOSFILWMH-QZTZHPFYSA-N 492.573 0.939 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1783267944 IZRLXJQMFGTFOB-ZDPRRSKRSA-N 478.546 0.525 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cncn1)C2 1783268382 JDWAGQDUPMIABR-PMAPCBKXSA-N 474.562 0.709 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1784601530 RUOZKSLFZPHUAA-FHJLPGHOSA-N 452.515 0.967 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)c1 1785078473 FSDNIEDZQLCMEK-IQMFZBJNSA-N 461.482 0.802 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=S)NC)[C@H]2C1 1788611996 GGRFTRKHYZXKAS-FJIDUMEYSA-N 497.662 0.920 30 20 JCED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1790574564 HMPKMDFSJVIAAA-ZVZYQTTQSA-N 469.571 0.512 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(NC(=O)OCc4ccccc4)CC3)C[C@@H]21 1791077045 XMSFUVRBOHBLJG-FHWLQOOXSA-N 469.494 0.513 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C[C@@H]21 1791266218 MOTOXRGPXVKRQK-QZWWFDLISA-N 484.619 0.364 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n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c1cc(O)n(C)n1)C2 1793593986 ZDCFVYGQFWTOBG-KRXQYRFLSA-N 463.535 0.798 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C2 1795598629 OFGUBYXTFUVKMC-RMFSNUHRSA-N 476.599 0.504 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795641322 MJVGXIJIUGMOQS-ORDFZIBCSA-N 468.551 0.108 30 20 JCED COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)n1 1796596737 SLKHVZXKRBHZHP-OPMZPASUSA-N 455.490 0.986 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2cc(C)ccn2c1=O 1797068518 MVEVDZYRQXSYOR-YNVMFWSZSA-N 454.527 0.779 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798863035 FSOWKDKZRUHSTM-DMUMMCEESA-N 485.541 0.530 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C 1799385625 OSARHZSKRKDHCL-VYMYIBDJSA-N 464.563 0.524 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)OCc2ccccc2)C1 1800441715 UQXPIKFUELBQDY-MVWVFHAYSA-N 469.538 0.883 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)=O 1800512739 PEZBEOLKZXSJRL-DMUMMCEESA-N 464.563 0.409 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800801500 KGMOSKHVVQIOGI-OYNZLANYSA-N 497.589 0.606 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CN2CCCCC2=O)[C@H]1c1cccnc1 1802489195 DGFKWDXVBFXKTL-DXJATJGKSA-N 453.543 0.958 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1819450665 CALFZNRWRWCNFR-OGQSQWDMSA-N 461.479 0.483 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2CCc3nc(NC(=O)C4(C#N)CCC4)sc3C2)n(C)c1=O 1828007928 JBLZMRBCNFDCJK-GFCCVEGCSA-N 496.553 0.196 30 20 JCED C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1829809048 RGUUFSLDPVJNSL-UZUQRXQVSA-N 452.515 0.962 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C(N)=O)cc4)C3)C2)cc1 1829907305 GDOVMOJBCKHNQS-RUZDIDTESA-N 462.506 0.970 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064276 IARNTCJVCVAFAD-VWMXVWASSA-N 494.589 0.753 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830606848 KPPVNCJZJLTPBS-SBUREZEXSA-N 463.531 0.339 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1831390982 CEWKGVGLCGWAHS-JTSKRJEESA-N 453.536 0.348 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)ccc1Br 1831573265 BOIIIZMPGNINRS-JXFKEZNVSA-N 493.314 0.499 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832354334 SXJMBMQLBIYIQH-YTRVONPVSA-N 488.585 0.092 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832358373 ZCKJLEOTWCLLTB-DFBJGRDBSA-N 489.617 0.516 30 20 JCED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)CCC1=O 1832381475 UCVLPRIFPLOLAT-QHCPKHFHSA-N 469.498 0.002 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cnc[nH]4)CCO3)C2)c1 1832813399 NGBSXSUVFCXNIV-QHCPKHFHSA-N 453.499 0.993 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833886403 UFDIABSRIXEQBI-UZFJHSOTSA-N 490.561 0.355 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)c(C(F)(F)F)n1 1834384242 QIRDZCJMDVGDJE-HXUWFJFHSA-N 478.431 0.939 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834716698 NMRWIKBKJUOETC-UHFFFAOYSA-N 456.591 0.852 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@H](N)C(N)=O)CC3)CC2)c(Cl)c1 1834735150 LDIMWWCUBMUMHL-FQEVSTJZSA-N 474.993 0.990 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COC)CCO2)C1 1834974502 GLHDCNLQWXOLRL-JTSKRJEESA-N 455.552 0.949 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(N5CCOCC5)cc4)C3)C2)CC1 1835342571 WBWFRDYTKGQIFN-DEOSSOPVSA-N 454.527 0.897 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(O)c1 1835680545 KORDFFUXWBAVRH-QHCPKHFHSA-N 460.531 0.753 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1835714805 WOHVAARETHDRPK-VQIMIIECSA-N 472.652 0.459 30 20 JCED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)C(=O)O 1835752191 OUEPYGHCGNKGRA-XXBNENTESA-N 458.515 0.010 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cccc1C=O)CCO2 1835958231 LYSJUJXLUZRAOX-JPYJTQIMSA-N 461.515 0.827 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836110647 AAPGQAGNCFVDMR-WWCXEQRYSA-N 479.559 0.554 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c(CC)c1I)CCO2 1836232758 CPIULENMKRXHLS-QGZVFWFLSA-N 472.283 0.280 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1837401206 VMUBTRUHEUWYKZ-CJFMBICVSA-N 490.553 0.479 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1837491489 OAPANVHBSILAMF-XMMPIXPASA-N 468.510 0.991 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837563691 UQGYLVMRQBHKQL-NYNQOQISSA-N 452.471 0.511 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837656037 LRQPTWGPYVYMAL-DEOSSOPVSA-N 476.574 0.726 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837658799 ZUUVYDZWLGBECD-HOYKHHGWSA-N 476.574 0.316 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837758940 GLYJNPSZAOHNCR-UNTPSSOGSA-N 491.545 0.524 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838257379 LGSZEHLBXUUWDN-DGPKFNOPSA-N 450.927 0.672 30 20 JCED Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1Cl 1838308572 OHRIAZWWKHKQCV-JOCHJYFZSA-N 464.950 0.842 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccccc4C(=O)OCCO)CCO3)C2)CC1 1838568390 GIXHIDHZBINEGS-HSZRJFAPSA-N 457.483 0.209 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)CCO3)C2)CC1 1838604095 HXXFNPUCGKXEOB-QFIPXVFZSA-N 468.470 0.052 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4COc5ccccc5O4)C3)C2)c1 1838732205 GJWOKSYQKBXBFV-REWPJTCUSA-N 452.467 0.796 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1839173922 VOQIYEXNUGOVSB-HSZRJFAPSA-N 486.529 0.321 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1839185124 OFJLJOVAQCDJKG-YTZAWJCFSA-N 496.605 0.814 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)ccc1F 1839186893 VSSNYXUDFHPURT-HSZRJFAPSA-N 483.456 0.498 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1839224688 NUOBKXFCSQMXIZ-YYQBIWNASA-N 469.564 0.046 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1839224785 ORXWSYYVVGCHKG-OXFYSEKESA-N 453.565 0.270 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487374 FQRNNVKKGBNRJN-HSZRJFAPSA-N 477.481 0.617 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5nc6ncccn6n5)C4)C3)c2c1 1839488430 QXCXBQROLNDPOP-HSZRJFAPSA-N 487.480 0.256 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839625984 MOIXYFLCUJFXEG-XMMPIXPASA-N 494.483 0.889 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=C(\C)NC(C)=O)CCO3)C2)c(C#N)c1 1839648111 SROVNUDDXQBSSO-AFAPPVNZSA-N 470.526 0.606 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)C2)C1 1840043456 ZWNGZDQXONFXDK-JOCHJYFZSA-N 472.885 0.888 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)OC)CCO2)C1 1840212497 LEXFWSGXUXXNQS-MBKAAHDRSA-N 467.563 0.947 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840252278 SWYLHUKDVSCJGI-IXFSTUDKSA-N 467.563 0.779 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840326956 IPGLGVSOAFKVOM-QHCPKHFHSA-N 453.499 0.749 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2cncn2)CCO3)c(O)n1 1840416836 YFKUDPYZDKIGPC-UZUQRXQVSA-N 470.530 0.829 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840771807 QLSOELNIQLNRAO-OPAMFIHVSA-N 482.530 0.338 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1840913075 WYVWYOUVFJBNPG-ODQLMNOUSA-N 479.574 0.683 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1844238325 VWPPTXHBCOKXRG-BBWFWOEESA-N 451.564 0.991 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1845210070 YQVZQGWALRPJQJ-GOSISDBHSA-N 453.503 0.748 30 20 JCED N#Cc1c(CCCNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)nn(-c2ccccc2)c1N 514550031 QDGFPYOJXYLHRA-UHFFFAOYSA-N 456.470 0.989 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(OC)cc3)c2=O)cn1 523180851 KIEJHLJJNQAOBX-UHFFFAOYSA-N 465.535 0.486 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 603846492 DJDZHHWXRKRMCE-GGPKGHCWSA-N 452.577 0.464 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604120062 XPENAAFHICXHJM-UHFFFAOYSA-N 463.581 0.379 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O 609074453 NZCCRWLSCYFAET-UHFFFAOYSA-N 454.430 0.321 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCN(c4ccc5c(c4)OCCO5)C3=O)CC2)o1 730621633 OCSDRDNUWFDJGJ-QGZVFWFLSA-N 495.492 0.871 30 20 JCED COCCN1C(=O)/C(=C(\Nc2ccc([N+](=O)[O-])cc2C#N)[C@H](F)C(=O)OC)C(=O)NC1=S 814339392 KYOAVMSPQZFSKZ-BSHRGCEOSA-N 465.419 0.533 30 20 JCED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 839370271 UZNGGKHJQQNKRT-UHFFFAOYSA-N 461.613 0.375 30 20 JCED Cc1c(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c(=O)n(-c2ccccc2)n1C 916962064 YIDMJOYFBYDWIC-INIZCTEOSA-N 487.476 0.391 30 20 JCED CN(C)CCN1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918256635 HYDXOMILKCQHCV-LKUDQCMESA-N 478.619 0.580 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 918583245 JHJCDFFRCLXUGM-UHFFFAOYSA-N 458.496 0.586 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1698311194 NBBVIKLWLPEKLD-UHFFFAOYSA-N 455.548 0.970 30 20 JCED Cc1c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)cnn1C 1707028900 OGPGNFPQSMSVOK-PXNSSMCTSA-N 462.580 0.831 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1712454364 NFYYJIBIMNFJCX-UTKZUKDTSA-N 484.623 0.919 30 20 JCED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1728201844 TUTSPDGSIFKFGB-UHFFFAOYSA-N 452.563 0.990 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1740823147 YLSSBZPYIBEEDV-RVKKMQEKSA-N 461.972 0.748 30 20 JCED Cc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1742221184 JGTRBXRWWJCZHW-MOPGFXCFSA-N 460.560 0.891 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749084286 QKMUGXSQKNEUKU-GFCCVEGCSA-N 499.457 0.563 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1750897491 IIICIRIQCUXPSB-IRXDYDNUSA-N 452.581 0.144 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1768589430 VRTMGUKFWDHJMM-UHFFFAOYSA-N 477.472 0.405 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCC2CCOCC2)C1 1770350527 NBYCLSRKTHYOEP-SJORKVTESA-N 454.553 0.156 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777711692 JJRWQUYIXCTAPI-XMSQKQJNSA-N 480.587 0.948 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1779323875 UFUOWVDPKBLLLG-OMJAGBKOSA-N 467.567 0.737 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335307 YMLPSPSBQGTZNK-HTAPYJJXSA-N 461.519 0.870 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780338801 BGVLPEUMCBNZKO-SBUREZEXSA-N 489.529 0.786 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781097389 LMAZGKVLXGSFIF-WZOHSFFVSA-N 493.649 0.922 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1782893076 FVUCTJFULDXMDG-ZHRRBRCNSA-N 450.536 0.211 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783164667 BCZILQYQZMVCAF-FHAGJXEFSA-N 484.553 0.824 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783568198 QOXJNMDTIVRDOH-XZOQPEGZSA-N 463.531 0.942 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1784480980 BOPDKNLODIGBPA-XTHUUODCSA-N 479.574 0.376 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369357 INGHYVSQXLHIAZ-MWTRTKDXSA-N 478.546 0.967 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(Cc4ccccn4)CC3)[C@H]2C1 1785385852 WPBPRJRMNKQMNO-JBACZVJFSA-N 454.527 0.361 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1785575524 CYKFULCDRVXJQK-AOMKIAJQSA-N 481.619 0.217 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncn3)[C@H]2C1 1787570351 WEIPEHTZHVHTHF-DKKFBQAASA-N 457.531 0.987 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@H]2C1)c1ccc(O)cc1 1788474640 AYNNCNZROKJKFA-JCXYWDFNSA-N 487.553 0.933 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)nc5cccnn45)C[C@@H]32)c1 1789258776 DEABMFBRBPGLAZ-LRQRDZAKSA-N 488.504 0.877 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789841560 WYKGMMSRZXRLIH-MVWVFHAYSA-N 472.542 0.240 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)ccc1F 1789908087 IXYOHNLTBRSRMI-IEZWGBDMSA-N 454.458 0.145 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)nc1)C2 1792490156 MHYKYVABGXHXBA-MZNTUGIBSA-N 450.499 0.329 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1)NC(=O)OC(C)(C)C 1795893645 HTCUPKYQQKYAAT-CLWJZODNSA-N 462.551 0.727 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)n(-c2cccc(=O)n2CC)n1 1795935461 ZJVVZNABFNSMDN-XWQURZDVSA-N 481.553 0.604 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc(-n2cccn2)nc1 1798212918 JQDZFPHMTXHGRT-UYLXYHMOSA-N 451.531 0.942 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694126 FDDLEEIKFYBEGB-RCJHGTSTSA-N 461.519 0.365 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 1798695168 UCDVQFNHVZEPJG-FIEAQMJYSA-N 473.530 0.461 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1799233461 YVLUGWQZTMKNLB-DMUMMCEESA-N 467.563 0.282 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-] 1799822349 CSNVZERZGYSDEV-AMVTXUCVSA-N 459.455 0.623 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cn2c(nc1=O)SCC2 1799839381 ZJFGJYLJNCKEIC-LJGIQUCRSA-N 457.556 0.388 30 20 JCED CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1800537790 UCZGTIKUHKHBFQ-FVCICTRLSA-N 453.421 0.701 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1811187496 PFWOJLQXAYFIFD-OVXRQDAMSA-N 481.513 0.819 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185375 PWTOUNOERCLURF-OGWOLHLISA-N 460.581 0.986 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)NS(=O)(=O)CC)n[nH]1 1815164071 IEBMYDBDLCJKEO-NRXPATIISA-N 466.564 0.588 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3cn4[nH]cnc(=O)c4c3C)sc2C1 1821217331 FWFPKCFSPJRWCO-FWWRYZNZSA-N 481.538 0.872 30 20 JCED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@H]2NC(=O)NC2=O)CC3)c1 1823664515 ICPODZCEYZDSKC-IINYFYTJSA-N 456.459 0.978 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990870 XRDVBNRYFJFFIH-TXBYWVTISA-N 491.614 0.350 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCN3CCOCC3)C2)C1 1829262486 RHNQKDOGCVPAQW-VWLOTQADSA-N 468.554 0.794 30 20 JCED COC(=O)C1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1829317274 OPGBLANRWADDIM-DEOSSOPVSA-N 497.504 0.480 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1829345689 LIAGUDCIAQCOQS-ZQDYSYBYSA-N 476.599 0.480 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCSCC2)CCO3)c1 1829706005 NRDWFQUNQBXQSC-XMMPIXPASA-N 472.611 0.996 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cc3)C2)C1 1829768775 GRKHVHGNUUXNEH-OPSAWKISSA-N 456.543 0.681 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1829771043 BWWMYSMYMLHVEB-WNWNSBFKSA-N 480.525 0.196 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(OC)c3O)C2)C1 1829771163 JGKYDJSYZYOZLI-WEHRJKGCSA-N 489.525 0.338 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)cc1 1829896101 LDVSAWUSDKMVNP-HSZRJFAPSA-N 458.584 0.606 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CN(CCO)CCO)CC3)c2c1 1830826861 CEPJEOTZTVLXEO-QFIPXVFZSA-N 482.585 0.954 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)C2)C1 1831391414 ATTVCWYASZNYNQ-MEKIYTOJSA-N 455.511 0.999 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1831418116 AKMKYWGLEWXCPT-KKSFZXQISA-N 451.545 0.525 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831470457 UBXSXMGKVCYRCK-UUOWRZLLSA-N 496.605 0.827 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1831496381 VPWAORUDDZVCFU-UGKGYDQZSA-N 465.620 0.743 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1832729536 HQLZRQVVMGKKDE-VWLOTQADSA-N 477.521 0.762 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn(-c3cccc(F)c3)n1)CCO2 1833352024 KNSFJCNSSDHNNJ-WNWNSBFKSA-N 498.515 0.335 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2ccnc2)CCO3)c(C#N)c1 1834385804 CKAWHMYEFNARSU-HSZRJFAPSA-N 453.499 0.462 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835099146 FOOFTGRGFRRNAF-ARJAWSKDSA-N 459.507 0.362 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(C)(C)O 1835349264 ARUVVDCJRVSPOT-MWTRTKDXSA-N 480.562 0.411 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836305525 KBZZEFFQTOLLQV-ZHRRBRCNSA-N 476.534 0.100 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1836484388 VBWQPWYLKZWIDN-LAUBAEHRSA-N 463.922 0.729 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837386048 KDLIQRPNARNZFC-GAJHUEQPSA-N 473.530 0.101 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1837394431 AIVRCMRRZBZXBG-WZONZLPQSA-N 478.546 0.805 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1837397271 OECULGMYJYOCAP-OPAMFIHVSA-N 451.495 0.872 30 20 JCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837434240 ZDFCCNORLUXWOH-VWLOTQADSA-N 485.585 0.754 30 20 JCED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c2c1CCC2 1837490972 HHGRNKGQKUGVQH-RUZDIDTESA-N 470.570 0.677 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1837527336 LOBYEKPHIGYYKZ-NPPXVMCASA-N 466.579 0.848 30 20 JCED Cn1cc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837527900 ZUHNCCRVSIIEPY-NXWDISQXSA-N 463.535 0.338 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837531297 HVQUQGWAXARPMM-ROZQTZPBSA-N 462.503 0.689 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1837533292 NPTLYAKADQJTDP-ZRNBDRQBSA-N 475.546 0.500 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cnc2c1 1837563724 XOERAFXNOJEFMV-IIIXYQLDSA-N 493.520 0.785 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837633802 RTUWEYUSYKNIES-XVXCJXIKSA-N 461.515 0.500 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)c1 1838907560 ZEUFGAXNBIYJAW-LJQANCHMSA-N 455.389 0.734 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1[nH]nc3c(Cl)cccc13)CCO2 1839045877 XCCQQLHUPLFYKV-NRFANRHFSA-N 460.874 0.303 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)N1CCN(C)CC1 1839103076 CWCIMGPSTLRSOU-UUOWRZLLSA-N 490.004 0.918 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)ccc1F 1839186351 OEOQCTGZDAEXEB-HSZRJFAPSA-N 470.457 0.816 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839436258 LBBYCDMQEXBMBI-DEOSSOPVSA-N 481.557 0.619 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476867 MJAJKCIMYLWOMO-CVDCTZTESA-N 498.573 0.872 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CC(c4ccccc4)=NN2)CCO3)c1 1839636086 HRMRPZBDVFCHPO-XUZZJYLKSA-N 462.510 0.723 30 20 JCED CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1839642496 QZJRYEVHYMWEDI-KOSHJBKYSA-N 458.559 0.906 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Br)c3)C2)C1 1840042275 KITIQMCEVHYPJD-GOSISDBHSA-N 452.261 0.002 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1840171013 JIPQVRMAFGDFAN-DVECYGJZSA-N 481.590 0.911 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1840204784 MMDGSTZWYUMGCS-FQEVSTJZSA-N 468.432 0.615 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840550849 UFAANLYCFWERLQ-HXUWFJFHSA-N 453.492 0.202 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1)NC(=O)OC(C)(C)C 1840796112 UXTPSVJJEJBOII-HXOBKFHXSA-N 492.577 0.745 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840798329 LKFWOQYAZVSKMO-QZTZHPFYSA-N 493.557 0.614 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840821012 WIWJMHKIMXLVEI-HSZRJFAPSA-N 467.482 0.262 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840908371 KSVMERUKHGASTH-FDDCHVKYSA-N 490.561 0.041 30 20 JCED CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840913840 GPVGFMXZVGSEFP-NVVBAYIOSA-N 481.546 0.470 30 20 JCED CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1[N+](=O)[O-] 9550679 KNKSYJLLJWAQLR-KRWDZBQOSA-N 456.502 0.947 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(F)c(C)c3)c2=O)cn1 520625508 LWSIDFPKYFGHHZ-UHFFFAOYSA-N 467.526 0.925 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(C(N)=O)cc1 522531980 VPWCSNPDOHYPKG-UHFFFAOYSA-N 454.533 0.325 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H](C)c1cccs1 522625316 YCXPFHFQUYPQGP-AWEZNQCLSA-N 457.581 0.970 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)nc1 608883805 IHPYPNZSOMOYBP-UHFFFAOYSA-N 468.539 0.082 30 20 JCED CC1(C)Cc2cc(C=c3sc(=C(C#N)C(=O)N4CCCC4)n(CC(N)=O)c3=O)ccc2O1 609220905 QPJWSYZSTLFSAH-UHFFFAOYSA-N 452.536 0.234 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 728571029 ULAQDVJEYREUAK-UHFFFAOYSA-N 453.374 0.404 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)N(CC#N)c2ccccc2)c1 788268714 FKYKKZFBLWFQCP-UHFFFAOYSA-N 460.512 0.979 30 20 JCED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 857750151 SUZVSRVJQBOCCQ-IUODEOHRSA-N 464.949 0.103 30 20 JCED C[C@H](NC(=O)C1CCCC1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919352940 BMDGGVOGYMLWKQ-INIZCTEOSA-N 476.555 0.629 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 1266191294 ZJNFQCTUTRETTQ-QGZVFWFLSA-N 454.556 0.930 30 20 JCED CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1294901590 CRCOHPMOVNRFCU-HNNXBMFYSA-N 453.569 0.267 30 20 JCED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 1503679291 JMGJWQMCKHWATB-QFIPXVFZSA-N 474.587 0.809 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1504530214 SCZRJBGODCRRHY-YLFCFFPRSA-N 456.569 0.258 30 20 JCED C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1509968678 VLSIYULYOCBUCG-HNNXBMFYSA-N 477.616 0.895 30 20 JCED CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(=O)(=O)CC)C2)CC1 1547724631 SHWMIBQNJIFURO-NRFANRHFSA-N 486.646 0.972 30 20 JCED N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1620348286 QTPNWHLXAXRSRY-RTBURBONSA-N 453.471 0.988 30 20 JCED CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1748294824 UVXBZMTUJZOSIO-GOSISDBHSA-N 454.516 0.734 30 20 JCED CC1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1752262289 VXKWYVMAXQOJCW-OALUTQOASA-N 481.623 0.462 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778164847 IVMOTIVWVUINDW-XMMPIXPASA-N 470.526 0.679 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778939602 KJBBCVPSJGHLCR-NYHFZMIOSA-N 463.535 0.552 30 20 JCED Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(C#N)c[nH]2)C3)cn2[nH]cnc(=O)c12 1780019014 QWULYOYUKWZOEK-WZONZLPQSA-N 463.498 0.972 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1780385843 XXUSPIVCBDPNHF-XXGSHBOYSA-N 450.499 0.569 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)S)C2 1780799845 TVFVJGBRSUSVJD-NNMXDRDESA-N 476.636 0.905 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c(C#N)c1 1781176825 OEWCELSQGXFYPR-FQEVSTJZSA-N 468.432 0.618 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@@H]3CNC(=O)C3)C4)c2c1 1781206980 LLDMTISEXJBKGW-TUVUNVSASA-N 450.499 0.698 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)CCO2 1781268705 UFIZBGCOOCMSJG-RUZDIDTESA-N 497.552 0.832 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1781290208 GNBLLBYZXUNXEW-QMHKHESXSA-N 493.561 0.228 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21 1783529722 XILSGNHVLDZNPX-GOYFQBHRSA-N 472.586 0.616 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NCC=C)[C@H]2C1 1783535356 ITHORSGXOBSBLJ-IJNTWLFSSA-N 488.585 0.741 30 20 JCED CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561973 UIHMQXYLDJOERN-WAIKUNEKSA-N 481.546 0.613 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783682443 MRQXOKBJBCJGNF-CVDCTZTESA-N 472.579 0.086 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)NCc3ccco3)[C@H]2C1 1788719504 ANPWFVOYZXPQGS-MKTSTNRYSA-N 471.558 0.714 30 20 JCED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1)C(=O)O 1789839646 SISKHEGVEDHIGO-QLIIJSOBSA-N 458.515 0.152 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccccn3)[C@H]2C1 1790586336 KKMAWUCGOPUTLE-VDWQKOAOSA-N 458.559 0.753 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791263776 MZHVSUVWGLURCG-VJANTYMQSA-N 462.609 0.371 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OCC)C[C@@H]21)c1ccc(O)cc1 1791333467 YNUAPKXEODWCGJ-DDTVBTAGSA-N 487.553 0.933 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)nn3C)C[C@@H]21 1792261775 QBFQRRKCAMLORS-BMFAXAFESA-N 489.573 0.939 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1792271607 NLYLDXLFUSESPT-VGWMRTNUSA-N 465.551 0.285 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792629429 ARFWUGCQMBLSNN-KRVVFRQQSA-N 484.619 0.788 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCN(C(C)=O)CC2)C3)c(O)n1 1794491017 PHFBJXABCAFMSN-BBIADKPPSA-N 485.585 0.273 30 20 JCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795968621 FLMJFLNUIJYGLX-BBIADKPPSA-N 480.569 0.963 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1I 1798115623 POAJGDDEDLTMLD-OAILTHCBSA-N 499.309 0.076 30 20 JCED CCOC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)CC1 1800366821 YDJBAMJLVYOAQH-JLVBRIDZSA-N 451.483 0.981 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1800801375 BAIMGFRPMMIOFB-USRAEIGSSA-N 459.565 0.351 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1800986382 QAHNBVZUOXEQBC-FLTUCWPJSA-N 491.595 0.186 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2 1802024602 REJTWZBIUWYDNU-YYAJDYIMSA-N 451.520 0.446 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)cc1 1802575799 KYHJDFLBEGLFBG-WIOPSUGQSA-N 495.605 0.932 30 20 JCED Cn1c(=O)c(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)nc2ccccc21 1812877360 KZRLNILQWTZFCL-OPAMFIHVSA-N 459.462 0.736 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1812878033 STTJZAQBGIZFNG-XOBRGWDASA-N 453.411 0.801 30 20 JCED NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1815062354 JTVLXFVUNBRUAO-TUNLLYFNSA-N 452.537 0.177 30 20 JCED COC(OC)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828564529 ODQZFJHJAOLABV-QHCPKHFHSA-N 473.482 0.145 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCN2C(=O)OCc1ccccc1 1829183653 PHGWINDQFKWPOH-XMMPIXPASA-N 496.476 0.321 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccccc4[C@H]3O)C2)C1 1829762745 QNUOXEDABKRFPU-SOKKMCFSSA-N 483.565 0.597 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N(C)C)c3)C2)C1 1829769557 ZWNFCGNXQPPOEW-XXXZYALBSA-N 456.543 0.681 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898909 NATNDGRGAGGVAT-HTAPYJJXSA-N 463.556 0.238 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1830184098 GTKWENYWRXMLCK-QFIPXVFZSA-N 472.523 0.674 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)C1 1830720172 URKHOFAQOXDJFK-MPCDZSKCSA-N 485.537 0.983 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CCC5)C4)C3)CC2)ncn1 1830957714 QZAHIDBADLSYOP-VWLOTQADSA-N 498.584 0.852 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC=C)NC(=O)OC(C)(C)C)C2)C1 1831386546 HQCXIMFQRWDWNG-YDIMBITNSA-N 479.574 0.951 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1831413226 REZCWYWMHWYDQR-RUZDIDTESA-N 472.586 0.823 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1831435555 UVKIYGIMRLQMTR-PNCHPQGNSA-N 485.578 0.310 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)c1 1832250703 FTLYZBSHMDPLBJ-MRXNPFEDSA-N 462.356 0.312 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832424465 ZDGRROHHLUQSFA-HFUKASDHSA-N 480.562 0.374 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832796435 UQEHQBXKDWWNET-JOCHJYFZSA-N 453.455 0.299 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CC2)CC1 1833467773 ZCQCXOKFMLBBNI-QGZVFWFLSA-N 468.558 0.555 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835352327 SSHOHHHXTZEPNU-NWVWQQAFSA-N 492.573 0.630 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2)c1cccs1 1835444342 WXWQAFRSIDDOTH-OSFWOZTASA-N 477.583 0.666 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1835677308 MIZKPYGQIHXDFV-DEOSSOPVSA-N 456.543 0.973 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1835716877 ANZFQPBEUSAIEE-MOPGFXCFSA-N 482.622 0.974 30 20 JCED Cc1c(Br)c(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)nn1C 1836177918 SGZQUULKTWCUPT-UHFFFAOYSA-N 480.363 0.764 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1836470462 ZGWNOSOFOIBSAU-NHMXVPMISA-N 473.530 0.395 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)ncc1[N+](=O)[O-] 1836552763 ZORZBDARRQCXRI-YGPNGPECSA-N 474.518 0.840 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1837443344 GGJSWFRBBCGASF-ZVWIGDQWSA-N 493.605 0.781 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1837444178 QUYDTRPHCVIJPS-CNSRZQHFSA-N 450.927 0.672 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1837524277 DTFBLXQDZKBCMW-BEQIRNJDSA-N 498.540 0.866 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1837529729 DEMQTYTWIPLHEN-AIFGKWQTSA-N 474.352 0.899 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837564841 BBTOSIYVSHYMQJ-JEHGDBSQSA-N 470.461 0.651 30 20 JCED CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1)C(=O)O 1837868336 OJTHRAAAIYOZIB-GOSISDBHSA-N 451.568 0.330 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn(C)c4C)C3)C2)c1 1838580627 OHHULMYYTZWRNG-HSZRJFAPSA-N 453.499 0.993 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1839130796 UQBPLRUWQDFKTD-YDIMBITNSA-N 480.606 0.734 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)c(C#N)c1 1839131303 ASNQQRAXXKEPMI-HSZRJFAPSA-N 498.496 0.371 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)c(C#N)c1 1839132681 MAGNLHJUCMEDIH-XMMPIXPASA-N 491.508 0.317 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ncc[nH]4)C3)C2)c(C#N)c1 1839133578 XGPKHOFIIYHILR-XMMPIXPASA-N 467.526 0.922 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839186087 YVQQRBRCHYLKAU-SBUREZEXSA-N 482.578 0.568 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204373 BPVLDWCGIWLILP-HTAPYJJXSA-N 487.619 0.638 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2)NC(=O)OC(C)(C)C 1839239516 YMFQOTRLWDRNBF-FDDCHVKYSA-N 492.577 0.594 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1839453631 ULCJTRBEQCWNRZ-SIKLNZKXSA-N 461.540 0.514 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840036805 VKTVYPSSYRJBGK-XJWBDWDQSA-N 494.548 0.211 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1840162130 MYKXZWZDENLXPD-CWTRNNRKSA-N 453.473 0.712 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840436375 BTIDIQYPVBHRRR-RZZUAFPKSA-N 460.579 0.508 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)cc1 1840896545 FUQCPVMXOKMOCA-NRFANRHFSA-N 474.564 0.489 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)nc3)C2)C1 1840907281 SRECDUKNSYCFOE-YADARESESA-N 487.557 0.772 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cc1F 514918220 WRDBZTQVBFUOKJ-UHFFFAOYSA-N 488.585 0.665 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cccc(OC)c3OC)c2=O)cn1 523579662 ACSSIOASGQOVKW-UHFFFAOYSA-N 465.535 0.914 30 20 JCED COc1cc([C@H](C#N)NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc(OC)c1OC 609008078 ZJSKPIJJGDNKPC-AWEZNQCLSA-N 451.505 0.804 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 609178289 NGUDLQCWVVXHJE-UHFFFAOYSA-N 470.555 0.905 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CC(=O)N(C)C 609416716 FSXOIBQASPDBCA-UHFFFAOYSA-N 470.595 0.661 30 20 JCED CC(=NNc1ccc(S(=O)(=O)NC2CC2)cn1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 914698113 SSJSCKUYKFKESB-UHFFFAOYSA-N 478.600 0.952 30 20 JCED Cn1cc(/C=C/C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O 917010243 AUSAXIQINSBUCB-BYVAAYKLSA-N 466.454 0.063 30 20 JCED COc1ccc(CC(=O)NCCNc2ncccc2C#N)cc1S(=O)(=O)N1CCOCC1 917155583 NCENDWFVLGKWBA-UHFFFAOYSA-N 459.528 0.754 30 20 JCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1296652897 WMJZTUDAEPMLMJ-MGPUTAFESA-N 453.494 0.488 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1301809969 RXYJODOCSSUETK-KRWDZBQOSA-N 452.537 0.927 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)OCC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 1318049966 JJFKPDVTRBNMRH-RLLQIKCJSA-N 489.550 0.649 30 20 JCED N#Cc1sccc1N1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 1683812695 NXVJEJSTOLQAOW-UHFFFAOYSA-N 454.560 0.980 30 20 JCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1698494131 SAVDYKTYRQWHSH-WMZOPIPTSA-N 476.534 0.407 30 20 JCED CC(C)C(=O)NCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1741296497 WANKHNNMUSZINO-GOSISDBHSA-N 453.551 0.953 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748278540 PDCPRLSXLKNOKH-UHFFFAOYSA-N 480.573 0.609 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3ncccn3n2)C1 1778971650 BQSFXNXMGGPYJK-YUVPUZHMSA-N 452.515 0.715 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1779069441 RRMZIMHVASKTJT-URXFXBBRSA-N 471.510 0.816 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1779076627 OOXLXQUCBOYKMU-REWPJTCUSA-N 473.482 0.262 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c(O)n1 1779874529 QMTAEEQQOXCKKK-QHCPKHFHSA-N 466.498 0.552 30 20 JCED CCOC(=O)c1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccn1 1780320227 XCVUZJWEMMUWGM-HSZRJFAPSA-N 457.531 0.984 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC1 1780338812 BMXMTIBFRYYPHR-XMMPIXPASA-N 486.573 0.883 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cn3c(nc2=O)SCC3)C1 1780543169 WLSCWVQVNBXXNU-PRCFCKQXSA-N 476.599 0.997 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CNC2=O)C3)c(Cl)c1 1781105033 BRCQLCQBLDKLSM-VGOFRKELSA-N 473.917 0.891 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1781187258 DSPUSVYQFNUMMV-ZHRRBRCNSA-N 466.535 0.967 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1781859502 IXSLXAXOUJKFAZ-OFMYSQENSA-N 456.499 0.445 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1782147081 PRIPXJFLCHFIFO-VFNWGFHPSA-N 452.504 0.711 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCCCNC(C)=O)NC(=O)c3ccccc3)C2)C1 1782875214 LWNONBYBLSKIBR-PXDATVDWSA-N 468.554 0.555 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1783603577 PFVHGHCPYCQJPW-WAIKUNEKSA-N 478.546 0.967 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783613091 GDZPLRIQYJNPGV-QFAGGNDHSA-N 493.605 0.658 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nccnc4C(N)=O)C[C@@H]32)c1 1783915608 YBAAUCBWUVMHRG-FHWLQOOXSA-N 462.510 0.673 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1784012699 ADOLIQASAPUUKX-FHJLPGHOSA-N 452.515 0.967 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1785572561 MOKPNTVWKPWNJQ-UZUQRXQVSA-N 459.499 1.000 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1785573137 RCRUBSQCPSPFKC-WAIKUNEKSA-N 475.546 0.789 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788109325 INDRKWZEAVCUQP-BVBHFADKSA-N 457.593 0.229 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cn3)C[C@@H]21 1788600990 AFPVUWPSYHWHNH-KUNNFBPESA-N 484.601 0.983 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)c(CC)nn1C)C2 1792488770 SIKLRPIAAVKRGC-LEDMXFKVSA-N 494.390 0.807 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)C2 1793349542 BKYHETHQRZSTGN-JCECYMMASA-N 469.604 0.871 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1793383151 NGLFLZQBVFVASL-DACLVMHWSA-N 494.639 0.385 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793421476 UTDMETHTEKUVSH-RIFZWEIWSA-N 464.519 0.154 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N(C)C(C)=O)C2 1793597731 VHWMDAWIESEULG-GYFISPQKSA-N 466.579 0.912 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1793823547 AUFZDEALTFSUNE-OYNZLANYSA-N 469.604 0.866 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794112076 HZQZZXXGVZWEPP-FQRJBHLQSA-N 461.519 0.383 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795892962 AWHJYZDYCKKZRI-ZMMAXQRCSA-N 462.551 0.727 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1)c1ccc(O)cc1 1796574379 PVXNKPFWDZIOFP-ZJPYXAASSA-N 475.509 0.967 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1797812618 WVZHTUHPHBXEAT-SSJCNKTBSA-N 472.498 0.750 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797818060 HIOJITJTPNEISA-AWVBPEFHSA-N 472.542 0.924 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)c2n1 1800345347 PMYOJZSAFZAMHY-XOIINTDNSA-N 484.517 0.020 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1800723735 GUVPJPZFUVYIQN-AGYLXNLDSA-N 491.541 0.080 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1808454067 BPSJKNJKERHHJE-OXQOHEQNSA-N 466.498 0.800 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809964317 XJJHLMZPWAYLDR-KTCKORJGSA-N 471.518 0.791 30 20 JCED CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1)C(=O)C(=O)O 1819908584 WCTGUQCIWSBJIE-HIMBNPAISA-N 467.504 0.127 30 20 JCED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)CC3)c1 1821595132 DALFKDIKLQNHPJ-CYBMUJFWSA-N 462.557 0.299 30 20 JCED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2CC(=O)NC2=O)CC3)c1 1823664728 PLDLQDQTZPEAMX-LLVKDONJSA-N 456.459 0.931 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@H]2CCc3nc(NC(=O)CN(C)C(=O)C(=O)O)sc3C2)c1 1824673665 IDHMVQJUIFEQMT-ZDUSSCGKSA-N 471.495 0.792 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1828204173 SILUNTALXWRRBT-MEDUHNTESA-N 494.526 0.600 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829113670 NYWAWDRABUNCBM-WMZHIEFXSA-N 487.513 0.417 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)cc1 1829630884 CWJMDKUMDWKZSK-XMMPIXPASA-N 475.509 0.699 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)cc1 1829635795 PONYLJPJFXUVOK-RDPSFJRHSA-N 454.527 0.473 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1829769975 AIMWUUNNDFQWKJ-YJMIJIGASA-N 480.525 0.400 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1829777358 XDJHEFDCNYEFSR-NSUVWMATSA-N 484.553 0.120 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)CC2)ncn1 1831207966 DGTLPQRMTNQPEE-VWLOTQADSA-N 483.569 0.571 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1831218403 RQVVUGOQIFVUOW-QFIPXVFZSA-N 457.439 0.807 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(NC(C)=O)cc3)C2)C1 1831392739 NJTPUWKHVYYMEV-MHECFPHRSA-N 457.527 0.682 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1831397541 ZVXBVKWLAJFZMW-IERDGZPVSA-N 451.907 0.609 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831666312 WWABODUTWAAYLR-ZWKOTPCHSA-N 465.547 0.970 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)c1 1831736285 CELHOICNSJEXGQ-QFIPXVFZSA-N 453.455 0.446 30 20 JCED Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831880440 OFBYNXAQYUEFEP-QHCPKHFHSA-N 453.499 0.749 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1831997475 AZAYNNZRFYAFLI-QMHKHESXSA-N 491.545 0.722 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1831998689 QUHPISCANMVNRX-NYHFZMIOSA-N 479.534 0.655 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CCn1c(=O)oc3ccccc31)CCO2 1832755124 FJVKZQBPWOEQKH-XMMPIXPASA-N 453.495 0.854 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)c(C#N)c1 1833169362 OTFGQUWYJLZZLZ-XMMPIXPASA-N 465.510 0.598 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833596229 BGEPQOSONLVTMK-PXNSSMCTSA-N 471.601 0.510 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1F 1833738105 SJIMZQFENLLHGI-LEYRACOBSA-N 467.498 0.710 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1835100210 GQMKBCDYDITQAA-XMMPIXPASA-N 450.495 0.787 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835498923 USZRITIMJDVBJK-XMMPIXPASA-N 483.525 0.847 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835731459 PNMISRFLYRDFPC-HKOYGPOVSA-N 496.678 0.455 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835780070 LHTLPAWTHFQJLW-PWYGXMRTSA-N 490.557 0.765 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c1 1836124212 SLOHMXUFECSIJL-NRFANRHFSA-N 470.574 0.345 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3Cc4ccccc4C3=O)CCO2)C1 1836591360 VTNSKOZJKXXAJE-AREMUKBSSA-N 497.596 0.771 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=C\C(=O)NC5CC5)CCO4)C3)c2c1 1837254732 OPDMLYGFWFUZIM-XLQQFJOYSA-N 478.509 0.339 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1837486629 LDLWXSCHGAJPKT-RUZDIDTESA-N 475.586 0.544 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1837490751 NOFNYAJHFLSLJW-FQEVSTJZSA-N 476.448 0.247 30 20 JCED Cc1nnc(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)s1 1837524178 BELAQPBRHRBMCJ-KRAMAXKOSA-N 481.575 0.765 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c1 1837943616 RDYJWJVPQQVRLX-DEOSSOPVSA-N 479.493 0.749 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838167423 BZIYLJVKACRGRR-NRFANRHFSA-N 453.442 0.939 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OCCCO)cc3)CCO2)C1 1838546249 BXMXMYCWAUKNOO-VWLOTQADSA-N 488.585 0.800 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838597867 AIZWXPZHFZFRJR-OAQYLSRUSA-N 479.990 0.766 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1839130704 OROPPEMYIIOUFJ-UUOWRZLLSA-N 494.589 0.276 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1839136106 HBGYABWUJUFXQZ-GAJHUEQPSA-N 483.562 0.865 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1)C(F)(F)F 1839210475 QNCAFMFYNZJHMJ-FOIQADDNSA-N 495.495 0.837 30 20 JCED CN(C)C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2 1839442934 HXCZTTDAEIDTKJ-FQEVSTJZSA-N 468.432 0.735 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C1)CCC2 1839582331 BNKWOWMJGLGTGQ-XKUSAJHISA-N 475.546 0.508 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)=NO2)C1 1840008255 CWMMCWSHRFAYBM-QHCPKHFHSA-N 491.545 0.512 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1)CCO2 1840008438 HKRGKRSYCCBWLK-FGZHOGPDSA-N 453.511 0.815 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840009846 XLIMXNRFMPOMGF-DPSWKAHMSA-N 491.541 0.178 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840042846 QIHUZKQKWMVXSW-XZOQPEGZSA-N 479.530 0.178 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)C2)C1 1840044496 KDEKSXOMHNIMKG-HSZRJFAPSA-N 490.940 0.933 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840176188 YPQFSTOJRGAZRX-YADHBBJMSA-N 453.536 0.391 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840180862 ITQCYNQGXVKJGU-VXKWHMMOSA-N 463.462 0.383 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1840906550 FGIYMSVLEPLBAF-UZUQRXQVSA-N 475.546 0.407 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1840912432 HXTNXEGOMQGZFA-DQMJNTIXSA-N 489.573 0.809 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843415221 ZGFUDKOKEFUSBP-QGZVFWFLSA-N 482.603 0.532 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1845199598 JENVFOZATXRWCW-JKSUJKDBSA-N 451.568 0.642 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N1CCCC13CN(C(=O)C1(C#N)CC1)C3)CCS2(=O)=O 1846141481 ZRMKOKSRBUGKQE-INIZCTEOSA-N 492.598 0.918 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)=NO2)C1 1846194498 KJFPRENRZRJEMZ-QHCPKHFHSA-N 474.514 0.824 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1846561296 MDOIHNUVLHITFZ-LJQANCHMSA-N 460.498 0.722 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2CN(C)C2)C1 1846715539 WZTZRGGQUQIFOE-QGZVFWFLSA-N 479.578 0.557 30 20 JCED COCCN1C(=O)/C(=C(/Nc2c(C#N)cnn2-c2ccccc2)[C@@H](F)C(=O)OC)C(=O)NC1=S 10384376 ADFALZZMYYPSKB-DPEHCCBOSA-N 486.485 0.811 30 20 JCED COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(OC)c1OCC(N)=O 16106957 HQXUEIXHQCDJNX-UHFFFAOYSA-N 488.522 0.586 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1 491727404 CPIMZKMCJADCMS-UHFFFAOYSA-N 459.513 0.229 30 20 JCED CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 509833972 HSTFVUHIIGSPCI-SFHVURJKSA-N 468.601 0.985 30 20 JCED Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NCC#N 521751809 IZGZXZQVAAHODP-IAGOWNOFSA-N 455.558 0.605 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CC2)c1=O 590997715 XFPCTLJFMUSZEL-UHFFFAOYSA-N 454.552 0.205 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828207 KARVHOWFWYVJGM-UHFFFAOYSA-N 477.546 0.439 30 20 JCED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727233149 HJXCNLFYBQGHGI-LLVKDONJSA-N 453.297 0.533 30 20 JCED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)CC1 728402621 XHMVOUAOSYEZMX-UHFFFAOYSA-N 478.557 0.330 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 728532074 XVJJFBLWJYYWEF-UHFFFAOYSA-N 450.337 0.854 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCS(C)(=O)=O 729671971 ZEEVMWUQHLPTGX-UHFFFAOYSA-N 471.482 0.177 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1OC 837285127 IGYMRFRTHFMFBB-UHFFFAOYSA-N 453.524 0.297 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c(=O)n1CCOC 838254515 DAMIINNLAJEHMY-OAHLLOKOSA-N 487.578 0.544 30 20 JCED COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)c1 863699683 CVYGMIUIQMHWDU-HXUWFJFHSA-N 457.468 0.232 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)nnc12 913166041 GTRFKSODRNYSPB-CABCVRRESA-N 498.565 0.978 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)Cn2nnc3ccccc3c2=O)CC1 918919662 QPVUNUQEMSPRHC-UHFFFAOYSA-N 489.448 0.803 30 20 JCED CC(C)C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1287332086 IWTZFICAHFWYPM-FGTMMUONSA-N 469.612 0.316 30 20 JCED CC(C)SCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1288429186 QDIIFZUDFGENNP-ROUUACIJSA-N 483.664 0.929 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1315065032 MPUBPQACTBGNNH-MRXNPFEDSA-N 486.602 0.155 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359150971 JQOCOVIJICGKSC-ZNMIVQPWSA-N 458.972 0.611 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1519607285 UHFKABVTLIYFOU-IBGZPJMESA-N 459.576 0.667 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCOc2ncccc2F)C1 1698313091 SFGFZSRAFGKHGW-KXBFYZLASA-N 483.501 0.666 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3CC(=O)NCC(F)F)CC2)c1C#N 1707808019 WWRCKJVZLACXOZ-UHFFFAOYSA-N 490.519 0.136 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)c(OC)c1 1711776293 ZJZZUHSXYRSKBY-INIZCTEOSA-N 462.532 0.727 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1=O 1712486527 QDKASPRTZPMOPP-UHFFFAOYSA-N 453.547 0.834 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCC(O)CC1 1723935053 UZMHMDMRXVIOME-INIZCTEOSA-N 453.613 0.865 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729741714 WHDGWYMKGHJSGL-KRWDZBQOSA-N 460.564 0.662 30 20 JCED CC1CCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1750076215 LVWDOXCMZDTCTG-ROUUACIJSA-N 453.613 0.939 30 20 JCED CC[C@@H]1CCCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1763330450 PXZYXLAKKNFPLG-QRVBRYPASA-N 481.623 0.604 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1768464367 OESKYZVMHUBNGM-LJQANCHMSA-N 485.614 0.852 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1778884963 BERUMIGUYKFVNC-LFALDJFMSA-N 490.626 0.765 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1779076615 OOXLXQUCBOYKMU-NFBKMPQASA-N 473.482 0.262 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107060 RONRFAFSNOCLJF-GEEYGDQWSA-N 454.524 0.870 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1781295668 ZGXZQZSQTFKSNA-YCRPNKLZSA-N 453.540 0.344 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781321068 RZVJDVMDQFIIRR-HYBUGGRVSA-N 475.542 0.696 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)CCO2)C1 1781396021 NPBGRNMVNNVLDI-YDSTWLSQSA-N 482.578 0.845 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)ccc1Br 1781902390 IJRGTJCJEGPFMV-SFHVURJKSA-N 460.292 0.451 30 20 JCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1783200803 IFRINEJYEQVTLN-UGSOOPFHSA-N 451.442 0.820 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1783269072 WWOSAYQMANBFJK-HOOSLVGPSA-N 492.573 0.869 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783564319 IYLVKNLXEWIZAY-XCGNWRKASA-N 467.494 0.499 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1783769209 OEDTZOUNRYLPAH-ZHRRBRCNSA-N 483.635 0.770 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1784357604 YIYDRHYSCXLMKI-FDDCHVKYSA-N 470.530 0.882 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)CCO3)C2)CCC1 1785363090 NKOQQCZTXJYDMF-XMMPIXPASA-N 466.542 0.545 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1785429974 OGQRWDCMCDBWQL-HXOBKFHXSA-N 479.578 0.572 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 1785511146 AYLAHJNCAATLFI-BBBUJXPOSA-N 476.574 0.978 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1785576557 JXTKTNJWWYVHNO-MZNJEOGPSA-N 472.542 0.954 30 20 JCED CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)c1 1785587184 BTQVPILLXTZFLS-AJGSBBHBSA-N 477.587 0.550 30 20 JCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(N5CCCNC(=O)C5)n4)[C@H]3C2)CC1 1785785353 JPQNXDDVKSHJRK-LNLFQRSKSA-N 466.542 0.305 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)C1 1788094473 KJAUWYKVXRKTKN-QTMHVTGLSA-N 476.574 0.888 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1789905734 QBQTZYZEELWTPH-ATIWLJMLSA-N 480.562 0.934 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(N)=O)[C@H]3C2)c(C(F)(F)F)n1 1790851126 MXLVLMUFGONUSA-CQDKDKBSSA-N 453.421 0.831 30 20 JCED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]3C2)C1 1791142796 LBLFZHJJKWUNMS-JBACZVJFSA-N 454.564 0.629 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1792257232 CCOJUKVGHPVINX-FJIDUMEYSA-N 460.535 0.174 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 1792426448 KEMBHKDWBYZSKR-RCZRAQRLSA-N 496.564 0.496 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3[C@H]1O)C2 1792484538 KNDYYQYIIGRFEE-MTCFMXJTSA-N 453.539 0.730 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CSCSC1)C2 1792490246 QYSYMYRRTJQIJE-ZVRDBITFSA-N 454.618 0.477 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1793355849 RWRDFODQLAGWMK-XEZGLNCPSA-N 467.563 0.537 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1793361178 JVYAXOXLNYTKAB-VBRUWADQSA-N 474.558 0.803 30 20 JCED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)C(=O)OC(C)(C)C 1795338877 RERLVQVEMCDVRD-YAHCNQDQSA-N 451.568 0.915 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795416453 UCIRWXJPLUBGBY-JMEXBRRFSA-N 464.563 0.888 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)[C@@H](C)CC 1795557360 SUIIHTIGWSWNMO-XEZGLNCPSA-N 450.580 0.866 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795580323 MZWFOAKZAWVXMW-ZMMAXQRCSA-N 478.594 0.275 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CCC3)C4)c2C1 1797315718 WHJNYDSFVPHRJG-ALXJQNPVSA-N 499.572 0.926 30 20 JCED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)cn2[nH]cnc(=O)c12 1798467823 ZRWUJCCVZXBIAD-UPHUGPLXSA-N 478.484 0.788 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(C)ccn3c1=O)C2 1799303545 GQJGUGBDHOLGMU-UPHUGPLXSA-N 468.510 0.716 30 20 JCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)COc1ccc2scnc2c1 1800290224 QAKYBCFRCGMCHG-YEZVWNJWSA-N 471.539 0.685 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988036 WNAFCGNWKHDREC-BTWXHTNGSA-N 469.560 0.375 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1802138537 KNPWLYTWOREZQT-YJDCLEDVSA-N 476.574 0.572 30 20 JCED C#CCCCC(=O)N1CC[C@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1804389977 LYXPPYUOYQKYRH-NQIIRXRSSA-N 491.552 0.338 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)CN4CCNC4=N)[C@@H]3c3cccnc3)c2c1 1807118649 QETLSTHPDUYYJB-JTSKRJEESA-N 471.525 0.989 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)c(C#N)c1 1808167706 WBWQVUMYSULNRS-UTSGNWPNSA-N 478.553 0.803 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810356843 GRKNMJVKXROGRP-WOIAPQMNSA-N 477.518 0.681 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1812880968 OUNSJDPKADUBGG-UTKZUKDTSA-N 451.483 0.476 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1819427107 ZHBOLZZELROIKK-RXVVDRJESA-N 459.547 0.751 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829202354 IRPARFDAJWDWQS-YDHSSHFGSA-N 455.515 0.075 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1cccn1 1829393742 UYXOAMPCDSAUNN-KBMIEXCESA-N 493.520 0.984 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1829769264 PZJFCKFCGGILQP-YOXWTLATSA-N 472.527 0.015 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c1 1830458906 LWMSGQVMOKVNKS-XMMPIXPASA-N 456.543 0.279 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)cn3)C2)C1 1831396953 TXCLAKBWRNOLJZ-MGPUTAFESA-N 466.332 0.952 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCc3ccc(OC)cc3)C2)C1 1831402246 RLXBFGVJQMPITM-DVECYGJZSA-N 460.527 0.707 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1831409041 IMFGFCIUWHQPBQ-QHCPKHFHSA-N 472.546 0.794 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1831472489 LZFHJFPAHRZWKC-NRFANRHFSA-N 497.474 0.957 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832048357 BAPDNQSSULVLSJ-UUOWRZLLSA-N 495.573 0.962 30 20 JCED C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(F)(F)F 1832161018 SZVJZQFGSBQHIW-ICSRJNTNSA-N 462.465 0.455 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(-c4cccc(F)c4)n3)CCO2)C1 1833351991 JOHWTCDFKJDNAZ-SBUREZEXSA-N 471.489 0.515 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C(C)(C)C)c3)CCO2)C1 1833453303 SWOLFQHHDNSRLI-HSZRJFAPSA-N 460.579 0.990 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2)c1cccs1 1833472129 WLSKEEFTNMAYFI-WMWRJIBUSA-N 473.507 0.656 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833502578 NIAUHBCVEWDXMB-HSZRJFAPSA-N 481.465 0.195 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1833611146 GLSUFQJHDOMQAG-GOSISDBHSA-N 490.605 0.903 30 20 JCED COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1C 1834580025 JYBHJTOJSKWONP-ZWGHOPNTSA-N 476.530 0.998 30 20 JCED O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccccc1 1834705475 LUECNOMURFIHEP-YRWBNLPSSA-N 459.499 0.855 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1834760666 GQJHEGRPXQTHPG-JOCHJYFZSA-N 489.533 0.012 30 20 JCED CO[C@H](C)[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)N(C)C(=O)OC(C)(C)C 1834765961 OGBPVDRRLOBXCJ-NRJQMVOHSA-N 468.551 0.627 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834773837 CKRUEICJFQZZES-WYIFPNPKSA-N 453.492 0.091 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CS(=O)(=O)c3ccc(C)cc3)CCO2)C1 1835183733 DGOODOHAJSDNDI-CVDCTZTESA-N 478.567 0.263 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1835714800 WOHVAARETHDRPK-LPHOPBHVSA-N 472.652 0.459 30 20 JCED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1)C(=O)O 1835763772 NCETWXQLPAXSBX-UTKZUKDTSA-N 498.458 0.710 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4nc(C)no4)CCO3)C2)c1 1836072982 WMRHVJGLERSLJL-JOCHJYFZSA-N 455.471 0.571 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c(C(F)(F)F)n1 1836320808 PRDWMXFHXOCCIJ-LHSJRXKWSA-N 495.458 0.568 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)c2c1 1836419002 LXKYFXVVJADPKE-QHCPKHFHSA-N 478.465 0.625 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1836727339 DOGSAWIAGVZGSE-SFTDATJTSA-N 454.499 0.706 30 20 JCED O=C(NCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1cccs1 1837440847 AYHHSIQOJQUCEJ-YQNSVDCASA-N 477.587 0.406 30 20 JCED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n(C)n1 1837531662 SMABBTIWEQRAJE-PTJKWTKHSA-N 463.535 0.582 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1838568277 BZLKQLOIYVHSNS-HSZRJFAPSA-N 478.567 0.825 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838605248 UWYJBXWQUNOTML-ZUOKHONESA-N 463.516 0.067 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)cc1 1838950100 BTRJYUVZOKHAKT-DEOSSOPVSA-N 465.510 0.776 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839047300 IQGMSUZJIFNKKX-QHCPKHFHSA-N 457.531 0.711 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839130998 HBNDPGLCQRJSFM-ZJSXRUAMSA-N 472.542 0.480 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132291 BMDOLXCNAUBMFY-AVRWGWEMSA-N 486.569 0.871 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1839173893 SCVWTPRRYVNJDJ-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1839174947 GBJFWQCWFJMJPP-XDCGKPNXSA-N 483.521 0.988 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187192 OULONXRZOCZVFK-MWTRTKDXSA-N 475.521 0.404 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)c1OC 1839226951 ZUGJRSFNIYJWAH-ZHRRBRCNSA-N 464.519 0.970 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)c(OC)c1O)CCO2 1839376964 BRESLYLRGUTPKZ-DEOSSOPVSA-N 492.525 0.989 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839693011 FMIVSUXXMLGQDZ-BWKNWUBXSA-N 472.586 0.413 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)n1ccnn1 1839706881 BGTQYZCWFTWUAO-XOBRGWDASA-N 493.446 0.895 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)c3ncc(Br)cn3)C2)C1 1839806151 CHHNJISBKWWKDE-LJQANCHMSA-N 451.321 0.606 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)Cc4ccnn43)C2)C1 1839806950 IJJJFDRINOYSIU-WZONZLPQSA-N 473.530 0.265 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3ccccn3)NC(=O)OC(C)(C)C)C2)C1 1839806972 JIFUMQKLEFFBKB-DVECYGJZSA-N 472.542 0.607 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1)C(F)(F)F 1839892822 HQYUHBHFIQRTSA-SFHVURJKSA-N 483.509 0.233 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840158544 NANZMAJDEDTOFX-OXQOHEQNSA-N 456.586 0.543 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1)c1ccc(O)cc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c1cncc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c1 1842189399 ZXSBDMLYYICEHT-YPKZHZFPSA-N 450.517 0.831 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(=O)CC)C2 1844215409 CEMSAFHATCSOLT-OAHLLOKOSA-N 466.535 0.974 30 20 JCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 505993011 UEFCUIXUABGXMI-QGZVFWFLSA-N 450.561 0.158 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 603796280 COOMXLDOBSLEKB-UHFFFAOYSA-N 462.522 0.549 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCc1ccccn1 726182715 ZBIXZXZCVNARRZ-UHFFFAOYSA-N 480.594 0.765 30 20 JCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 746508705 WGZFHOWUIBUIDF-OAHLLOKOSA-N 451.588 0.864 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)s1 750233489 ZYJSMAJBXUPROV-MRVPVSSYSA-N 454.324 0.732 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1=O 802747020 MJKTUVBRFANYNS-UHFFFAOYSA-N 456.427 0.179 30 20 JCED CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N[C@]1(C)CCS(=O)(=O)C1 913173822 QAJGQNVWCODPTK-IEBWSBKVSA-N 471.557 0.098 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507785353 NNJKOOJXHMJCAT-STQMWFEESA-N 477.385 0.187 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC(=O)N(C)C 1541929247 PNIIGQHVCUPPBF-OAHLLOKOSA-N 475.575 0.896 30 20 JCED CCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)o1 1546360116 IOGCBQRFNYIQNN-GOEBONIOSA-N 462.580 0.972 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CCN1S(C)(=O)=O 1555954498 UWPCDBLGMAUZPU-KRWDZBQOSA-N 487.586 0.536 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(OC(F)F)c1 1611711540 PRRJDUKVUQMKPC-YPMHNXCESA-N 457.463 0.662 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)cc2F)C1 1620171813 LJZNPUXVJFUJOG-DOTOQJQBSA-N 468.486 0.666 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 1638518507 UYDMYDRAKNVSGA-GOSISDBHSA-N 454.574 0.690 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1698316504 PFVZSUYRAIDONB-OAQYLSRUSA-N 460.560 0.734 30 20 JCED CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1710263645 AQJDSTBBWPHGSB-AZUAARDMSA-N 457.627 0.619 30 20 JCED CN(C)C(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1710971703 PHOSTFKVPJQBOW-HOTGVXAUSA-N 450.565 0.558 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1711019911 KKVLLPWZUGQRDU-GOSISDBHSA-N 486.602 0.709 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2CCCO)C1 1712707552 YMOAHNDOCNSBRK-MOPGFXCFSA-N 481.623 0.198 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC(=O)N(C)C 1723960700 UOJMKCCYABHEDM-YOEHRIQHSA-N 461.548 0.426 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1728652300 VFSDGQWWNNNXFG-WBVHZDCISA-N 463.608 0.519 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1ccn(C)n1 1741937511 CNHBYDCECGFTIM-MRXNPFEDSA-N 469.575 0.868 30 20 JCED CCCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745789084 WDXUORHFMZTXSI-INIZCTEOSA-N 466.550 0.417 30 20 JCED CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1746464591 VYQHGYDIJKYEIO-IBGZPJMESA-N 466.590 0.939 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(=O)NCC1CC1 1762289938 IHXMECYRWMWMMB-UHFFFAOYSA-N 496.620 0.963 30 20 JCED C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1763275658 SSZHYUMWWXONFB-HXOBKFHXSA-N 470.530 0.564 30 20 JCED COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1768340057 NRSFHZKGRURCEY-LIRRHRJNSA-N 467.935 0.885 30 20 JCED CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1770333321 RAOXQQNPKMGTIO-INIZCTEOSA-N 460.516 0.804 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1779238364 SSEKTIILHSUOOR-XMMPIXPASA-N 486.573 0.256 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c(O)n1 1779874528 QMTAEEQQOXCKKK-HSZRJFAPSA-N 466.498 0.552 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170258 YQSXWLVAFUZIFI-XDHUDOTRSA-N 491.589 0.882 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)no1 1781964115 TWCVTGPHQIWRLM-JOCHJYFZSA-N 455.446 0.867 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 1783132422 UWYJYZLRINPKME-DRMXPCRNSA-N 454.527 0.977 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)S)C3)C2)cc1 1783888837 MNTLZTRCHLRUFT-RZQQEMMASA-N 455.602 0.810 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CN(C(=O)c4ccccc4OC)C3)[C@H]2C1 1783890830 GFBNOXWVTFQBFG-CFFRYYMNSA-N 483.565 0.785 30 20 JCED CC(C)[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)N1Cc2ccccc2C1=O 1784454515 GBUNZNXTRFXZPH-UDSSINMLSA-N 467.522 0.735 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(N)=O)CCO2 1785574990 WSCGGNUUSUPLNZ-ZMPRRUGASA-N 465.551 0.180 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1785729373 ZYUNTWVFUURKRY-GUUZLSKKSA-N 493.605 0.924 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nccnc4C(N)=O)[C@H]3C2)c1 1789092316 XEUCVDDKMPABBH-QRTARXTBSA-N 452.446 0.493 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)C[C@@H]32)c1 1789345111 WXLCJLMNKRODEA-DOXZYTNZSA-N 486.492 0.678 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC(=O)NC)N(C(=O)OC(C)(C)C)C1 1793287657 BEPRPVUOTDETFB-RCJHGTSTSA-N 450.536 0.278 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1793359178 RCDAWZQGPUQORE-VXIBKDFQSA-N 455.552 0.708 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1)NC(=O)OC(C)(C)C 1795855114 MXXCTTBAAICXED-AXVVYFOYSA-N 462.551 0.727 30 20 JCED O=C1Nc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3(O)CCCCC3)C4)cccc2C1=O 1797541239 DKPAJLRCUDJDRE-CWPLJXCYSA-N 465.506 0.723 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797626308 YNYXTECVLYZPDX-RCJHGTSTSA-N 491.593 0.769 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1797714118 MDQQTILONVTXCZ-KMOPNRPKSA-N 469.579 0.425 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[n+]([O-])cc1 1798359126 YGJCEMHGYKRMEN-RDGPPVDQSA-N 460.531 0.993 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)cc2)C3)[C@@H](O)C1 1799196632 MDLIMEGFBSVMLR-SSTJLMRISA-N 484.553 0.989 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1799302120 ZLOLOKCCLOYZBD-ZMMAXQRCSA-N 483.562 0.361 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccncc2=O)cc1C#N 1800199676 DBSSHTYINFTARO-BBIADKPPSA-N 465.510 0.806 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncn(C)n2)C3)N(C(=O)OC(C)(C)C)C1 1801100518 YRDOACDEPVDKKN-YVSFHVDLSA-N 460.535 0.584 30 20 JCED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1802581311 PWEQNSGFPNHMHR-RCZVLFRGSA-N 465.554 0.488 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810356835 GRKNMJVKXROGRP-GPLICZALSA-N 477.518 0.681 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1812882914 SUIXIJUKPPFCOO-VWQFJMCTSA-N 486.525 0.547 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)nc4cccnn34)sc2C1 1821261789 HHFWFQPVYGSISN-STQMWFEESA-N 452.496 0.810 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)c1 1821385803 UIFMFQLRFXHLSI-GFCCVEGCSA-N 491.493 0.689 30 20 JCED O=C(CN1C(=O)C=CC1=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1822529057 FPCYANQXQJFMBK-SLVQHOKSSA-N 458.475 0.856 30 20 JCED Cn1c(=O)c(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)nc2ccccc21 1825667524 MNHLJZKGGYBLLA-NSHDSACASA-N 451.464 0.704 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCN(C)C(C)=O)CCN2C(=O)OCc1ccccc1 1828624696 DBEWEHMEPRLQCP-DEOSSOPVSA-N 454.527 0.940 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCOCC3)C2)C1 1828806288 OZSJUWCDOCNPJP-DEOSSOPVSA-N 469.542 0.684 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1828925578 XWDYHQDKJNLYDM-RDGATRHJSA-N 499.568 0.393 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829520021 UAVBCAVLRSUBAW-DQFTVGBOSA-N 467.910 0.729 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1829770501 UTKYHDPEFLTDFO-FBQMEGEOSA-N 485.463 0.367 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)nn1C 1829898487 HYQPOUVRYASZJY-DEOSSOPVSA-N 451.527 0.842 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1831396975 UJVNJAJHKWJOJG-AUUYWEPGSA-N 458.437 0.547 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1832052720 VVNOVMVJCBJXLJ-KWAHZMDQSA-N 493.605 0.924 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)cc1C(F)(F)F)CCO2 1832197947 CZTXVDBVXXLAOI-FQEVSTJZSA-N 472.391 0.931 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4noc(C)n4)CCO3)C2)c1 1832930522 IGKRDOTWZSGCEK-JOCHJYFZSA-N 455.471 0.571 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1833074845 GHQGDCNRSOPPHS-KAKONUFLSA-N 490.630 0.219 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccn4c(O)nnc34)CC2)CC1 1833465433 GUDYXNRXBWUFSW-MRXNPFEDSA-N 454.531 0.658 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)c1 1833496028 BWOPHQYZURPIOL-QHCPKHFHSA-N 481.465 0.439 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)[C@H]2OCC[C@H]21 1835361982 ASZASIPBCZZIPT-KKIGLAAZSA-N 492.573 0.771 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1835437487 GVBRAFNTDWYTGI-GAJHUEQPSA-N 480.562 0.097 30 20 JCED COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1C 1835672715 IUDHLGUCECMWFT-HSZRJFAPSA-N 459.547 0.751 30 20 JCED N=C(N)SCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835767807 SGTYIWOOHWOUKU-QMFLXTPQSA-N 454.597 0.714 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CC)NC)CCO2)C1 1835916159 FVHYRZSLCKWGBV-PMAPCBKXSA-N 468.595 0.910 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4nnc(C)o4)CCO3)C2)c(O)n1 1836021833 LYXUTMHDFDOZSV-QHCPKHFHSA-N 471.514 0.910 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)c4nccnc4C(N)=O)CC3)CC2)c1 1836050195 JLBGDAGJIKDGQF-UHFFFAOYSA-N 491.552 0.955 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836479172 DTSTWINAYSTDPH-VVZHRXSXSA-N 498.580 0.842 30 20 JCED CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533430 TXBFGOBVSCRZRU-RUCZPBRESA-N 459.565 0.086 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1837608087 TZZIMMZUIUVHBJ-XLNZFTOWSA-N 471.558 0.820 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838632744 MCZWORJCKRJNPD-JOCHJYFZSA-N 456.886 0.545 30 20 JCED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)c(=O)[nH]c1C 1838950288 HNAKQCPVPKPZCD-HSZRJFAPSA-N 451.483 0.642 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1839130701 OROPPEMYIIOUFJ-HOYKHHGWSA-N 494.589 0.276 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(C)cn4)C3)C2)c(C#N)c1 1839131308 AZQMHJIKLZPEBC-DEOSSOPVSA-N 465.510 0.978 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1)NC(=O)OC(C)(C)C 1839195724 FOBICMVIUPNLJH-FDDCHVKYSA-N 485.578 0.311 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839203983 CRFHZRZPAVDFBQ-VGOFRKELSA-N 453.536 0.132 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839239073 KGEIUNYGWGMVGB-NLSFWIRASA-N 490.561 0.204 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C3)C2)c1 1839450801 HTKRCLSXACOZAE-HTAPYJJXSA-N 463.556 0.617 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1840082107 ZRRFOHJGNQOCCA-JOCHJYFZSA-N 490.619 0.058 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1)c1ccc(O)cc1 1840219906 MENQWWTZSNZSLJ-OWHZGTRUSA-N 487.553 0.408 30 20 JCED CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)OCC 1840281585 CXDZJSPCDSPESS-OEEWFINQSA-N 471.551 0.761 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)cc1C#N 1840763321 WAJWKRYZTYYXSD-HSZRJFAPSA-N 468.514 0.707 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)CCO2)C1 1840806403 WHMXEKKBRMEXOD-VGSWGCGISA-N 486.635 0.314 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818923 GAWZYRDFAVFDPA-DEOSSOPVSA-N 469.542 0.675 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1840819831 IERLCTUCBVKDIH-JKPKGCNWSA-N 468.554 0.734 30 20 JCED Cn1ncc2c(N3CCN(C(=O)C4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)CC3)ncnc21 23463100 WWPSOZCZHUJWHV-UHFFFAOYSA-N 494.581 0.984 30 20 JCED Cc1cc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)n2ncnc2n1 24769921 AQTBTACYONFXJU-UHFFFAOYSA-N 454.516 0.274 30 20 JCED CC(C)N(C)C(=O)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 30272689 NNFJFXMVSJKSOY-UHFFFAOYSA-N 475.615 0.970 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccc(F)c2)c1=O 501765563 MDRHUXCKFXLCJE-QGZVFWFLSA-N 473.526 0.800 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C)c2=O)cc1OC 507088105 RPTIVPYMIRSXGH-UHFFFAOYSA-N 486.594 0.530 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)c1C 521764299 DDVTVEMSXPQIOZ-UHFFFAOYSA-N 490.541 0.925 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 573943732 MKMPFMXJDARNOZ-HXUWFJFHSA-N 475.958 0.861 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592992875 MSAWGQUFVREJHL-UHFFFAOYSA-N 495.584 0.707 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)CC2)c(F)c1 726300175 NGMRYSYPIMRQRF-UHFFFAOYSA-N 450.474 0.921 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(OC)nc1 726961759 MCTDGIMWAYMTAU-UHFFFAOYSA-N 450.524 0.458 30 20 JCED C=CCc1cc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc(OC)c1OC 805821388 JPOPBJLDGOMNCB-GOSISDBHSA-N 466.556 0.920 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 899895414 RUPDRQKLGUNXRZ-CQSZACIVSA-N 468.532 0.331 30 20 JCED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 916941987 CMDNWZRWSMUBMC-HYVNUMGLSA-N 461.496 0.546 30 20 JCED CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918253723 YGBWZCSIANSZPV-PLRJNAJWSA-N 478.619 0.580 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](c3nncn3C)C2)cc1 918438318 IWEUOSLBXVLRDC-WZTHKDHVSA-N 473.559 0.973 30 20 JCED N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cc1Br 1211368714 KXLGGRUXRKXPMB-SECBINFHSA-N 455.331 0.654 30 20 JCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1301725781 SAVFGJWSTMZWSU-LJQANCHMSA-N 457.560 0.909 30 20 JCED CCN(CCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)S(C)(=O)=O 1313798466 SQPRNVRXYKYSAS-KRWDZBQOSA-N 459.580 0.583 30 20 JCED CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1315049257 LVAAIFIEQAAUGN-INIZCTEOSA-N 475.550 0.654 30 20 JCED CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1501208371 YDQQMUHYHPGUFL-GOSISDBHSA-N 475.575 0.645 30 20 JCED COc1ccc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1518339063 OUQXURYTDWTWFX-RHSMWYFYSA-N 450.521 0.705 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1633446987 UMZFAGNMAWTHLQ-APWZRJJASA-N 455.540 0.689 30 20 JCED CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1)S(C)(=O)=O 1696753031 IHVGOYKHGBUFFH-QGZVFWFLSA-N 480.616 0.969 30 20 JCED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1697025843 OVJANRLTQSDFLY-GOSISDBHSA-N 473.559 0.399 30 20 JCED CCc1nn(C)c(CC)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1727480562 UDXMSFOJESZOFA-RXVVDRJESA-N 494.597 0.960 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1729343179 NGAUIIDTXSKNKY-OXJNMPFZSA-N 496.590 0.921 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740803654 UHKKZNCMNVMVST-GJZGRUSLSA-N 497.043 0.272 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(C4CCN(C(C)=O)CC4)CC3)C2)C1 1778319984 APOXFGVLXFWIAK-FNZWTVRRSA-N 488.629 0.578 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1779243185 ONRXPDAFFUCYIT-HOOSLVGPSA-N 492.642 0.989 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](COC)NC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1779318800 NWBURAJGHUOLIS-IMWIBFENSA-N 494.589 0.533 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779418375 WOLKSWQTMUXCOZ-HGEINPHVSA-N 452.552 0.944 30 20 JCED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779947339 MIUGITPPTKBWDK-QFIPXVFZSA-N 471.539 0.684 30 20 JCED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@H]2NC(=O)NC2=O)C3)cc1 1781009639 VCJYMLOFRYOVBG-PMAPCBKXSA-N 453.499 0.478 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)ccc1Br 1781902388 IJRGTJCJEGPFMV-GOSISDBHSA-N 460.292 0.451 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786804 GQZFYMPTZNKJBK-HSZRJFAPSA-N 472.498 0.285 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1Cc3nccnc3CN1C(=O)OC(C)(C)C)CCO2 1783053980 PQMIIBQFEHJBRQ-WZONZLPQSA-N 455.515 0.602 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1788570256 PIPXVPDKDWSTKY-ATIWLJMLSA-N 469.579 0.425 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1nc(O)n2c1CCCC2 1788790497 XUOVZCGFUSBKNP-HNFFUWDWSA-N 458.563 0.990 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]21 1792255322 HOTNOUVLFMFKKU-BCYZHJNNSA-N 499.630 0.563 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(-c3ccccn3)nc1)C2 1792484186 GZKVRSBIGNILKO-MZNTUGIBSA-N 462.510 0.600 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1 1792888360 BHGFZZNXKJKKEC-YRPNKDGESA-N 472.542 0.956 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1793340911 RLZXZMLUIMQNRN-OPOADAIRSA-N 453.495 0.301 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]1O3)C2 1793344685 FQHXJKHJJUIDMY-CDPKGHFDSA-N 491.585 0.639 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793730933 IJZZFWVCGXOOKM-YWVIFJGQSA-N 473.379 0.882 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C)NC(=O)OC(C)(C)C 1795466528 YNBLPQIEHYFLTG-KYHPRHEASA-N 452.552 0.524 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Nc1cnccn1 1797781063 OJKTUPNKOQYHTR-PKRADWSKSA-N 486.573 0.783 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1797808709 NPVYXNQWHMPPIU-MLXKZIFNSA-N 487.557 0.650 30 20 JCED Cn1c(=O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)nc2ccccc21 1797838778 ZJLHJQNUJYXPSO-IEBVLFKKSA-N 463.494 0.849 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797964692 XCOUJGPMRCZBFA-RHQZKXFESA-N 482.578 0.197 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(N4CCOCC4)cn2)C3)c1 1798693349 NQEMVRJEJIQQKH-UPHUGPLXSA-N 450.499 0.635 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cc(F)c(F)c(F)c1)NC(C)=O 1799071173 WEJAPFSJMRFFBG-CMWGAGICSA-N 495.498 0.779 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)cc1 1804184332 XBEQKHKPOWZBBY-AUSIDOKSSA-N 460.494 0.754 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1804188791 VJTMOKYIRVGSSN-JZDMFWLRSA-N 452.471 0.351 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804192124 KAFISMPUSSYRNM-WZONZLPQSA-N 476.493 0.590 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1805276835 CFIRYZFWLJHMFW-UYCLUKJHSA-N 497.614 0.968 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1811730386 UFPZJWZXLNFWGS-CVDCTZTESA-N 469.517 0.699 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812391113 NZKDQYSIKVXCPA-WIYYLYMNSA-N 470.526 0.329 30 20 JCED C=C(C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1)C(F)(F)F 1812676851 IJZOFNOHGLUIIU-UKRRQHHQSA-N 450.354 0.931 30 20 JCED C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[nH]n1 1815202585 LXOSRDWGEVEIQG-NIKGAXFTSA-N 455.519 0.911 30 20 JCED COC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819905367 ZUEJUPCDCIHCMT-GBOMXBGUSA-N 467.548 0.735 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)C#CC(=O)O)n[nH]3)ccc21 1822200508 LSSUAUHGSOKTIP-OAHLLOKOSA-N 450.455 0.994 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)CC1 1825661027 FNTUPEASTJYMNT-ZDUSSCGKSA-N 492.554 0.905 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1828284432 KBJXTQBHAZZXMW-IPYPFGDCSA-N 492.602 0.565 30 20 JCED C=CCSCC(=O)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828521087 UISWUSSFEQKYMW-QFIPXVFZSA-N 463.556 0.668 30 20 JCED CC[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828540041 WMFUTXNZFCHACD-JPYJTQIMSA-N 457.483 0.297 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)Cn4cnnn4)C3)C2)CCC1 1829452095 QDCLPMMWPGYQOD-DEOSSOPVSA-N 492.540 0.819 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)cc1 1829630780 AXTTWRVGGGMIKN-RUZDIDTESA-N 470.570 0.670 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncsc3Br)C2)C1 1829766170 OBYODFKLROLYSR-ZRHASKPBSA-N 499.387 0.834 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc(Cl)c3OC)C2)C1 1829768690 DUWSGQRXZKHEHT-XSAUMEDDSA-N 478.933 0.672 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CCN(C)CC2)CCO3)c1 1829891939 MWVIJVXZSCRNNK-DEOSSOPVSA-N 456.543 0.979 30 20 JCED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)cn1 1829900323 BDUVLDWRPBUFQY-QHCPKHFHSA-N 451.483 0.670 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3(C)COC3)CCO2)C1 1830039055 ZOOLYLNWPKTTCU-GAZXMLTASA-N 479.574 0.949 30 20 JCED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)CC1 1830462842 QQTRHKJJACXNGM-HSZRJFAPSA-N 455.511 0.900 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc(-c4ccccc4)o3)C2)C1 1831396062 HNCJQIVABUEMJU-HXOBKFHXSA-N 454.483 0.845 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1831484851 HCDCSSKKFNJDIC-GHTZIAJQSA-N 452.577 0.545 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832250564 BUPVIKTUZIQION-KADBZYALSA-N 499.414 0.327 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c1 1833236598 YFGXXVKIUWFVOT-QFIPXVFZSA-N 468.602 0.655 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc4ncnn4c3)CC2)CC1 1833467202 MPTFLHPOLIKNLG-GOSISDBHSA-N 452.559 0.882 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833483324 YYVUKUKJSAXGBW-RCQWNHEVSA-N 486.635 0.768 30 20 JCED CN(C)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1833663335 RNBREZOSGHVDOE-XQHLYRQSSA-N 475.546 0.747 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Cn4cncn4)C3)C2)c(O)n1 1833699944 IQIAFOSCEWZDMG-KOSHJBKYSA-N 484.557 0.904 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834388622 RSMLBGLAZIGGMM-DQMJNTIXSA-N 489.573 0.809 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834873992 DCWCTKHGXCSELQ-UHFFFAOYSA-N 451.531 0.800 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)COC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1834979284 WJNHKXCACNZSJT-HTAPYJJXSA-N 453.536 0.655 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)NC(=O)OC(C)(C)C 1835348114 RHBQPOQMPSZBLQ-MWTRTKDXSA-N 494.545 0.203 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)cc1C#N 1835641238 FVKKFTKYNZUOHR-DEOSSOPVSA-N 484.557 0.255 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1835767742 OXZKIXDLHRIJGV-RXULLKCLSA-N 476.534 0.602 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836174520 HZZLPTKXTGDHFD-JPYJTQIMSA-N 475.546 0.256 30 20 JCED O=C1NCc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5(O)CCCCC5)C4)C3)ccc21 1837150551 RKBNCSXFZOMLRY-AREMUKBSSA-N 481.549 0.699 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1837442382 WPUQEHJZYHNVMY-OGCGYOKDSA-N 481.557 0.809 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447810 UCSPVPSHCZMJOW-ZDXRRBIGSA-N 469.542 0.865 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837492342 FRDAYISNKACDEE-XMMPIXPASA-N 456.543 0.598 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493738 VOZUQCKGXGBIJK-VWLOTQADSA-N 496.601 0.211 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837501889 FRXUALQZMVTIBP-ZJSXRUAMSA-N 487.509 0.317 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1837524642 KVSHMMORVIEJKY-RGIPFKFQSA-N 489.525 0.812 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837532932 IDOXPBIYVMOFHY-NXWDISQXSA-N 462.503 0.315 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837921906 UJVHSIRBOFJMFL-HXUWFJFHSA-N 450.927 0.482 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1838405685 NCXXEBKRPWWOGN-JAMLUQCHSA-N 461.519 0.911 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4nnc(C)o4)C3)C2)c1 1838581826 RQMPYLGQGWSVRJ-JOCHJYFZSA-N 455.471 0.571 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCSC)C3)C2)c1 1838583789 ODKXZHULIQFXFD-SIKLNZKXSA-N 463.556 0.751 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2)C(=O)O 1838595798 BYLQMCVMZQXXFZ-KKSFZXQISA-N 464.906 0.344 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)c1 1838950681 XREJLONXNLGKSR-QHCPKHFHSA-N 484.534 0.741 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839048700 NXGWHZAFZUJURM-JPYJTQIMSA-N 457.531 0.301 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1839174047 CATQLONENMGYRR-QHCPKHFHSA-N 460.531 0.727 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COCCO)CCO3)C2)cc1C#N 1839195895 OHWMVIOHJOHHES-QHCPKHFHSA-N 461.515 0.424 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)n(C)n1 1839361542 QMJTUIZILZSABL-HSZRJFAPSA-N 453.499 0.879 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)cc1 1839362990 BZKVHOIPIMLQBZ-IBLIISRWSA-N 452.511 0.657 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839499079 IOBMQLOHNFWYLZ-HSZRJFAPSA-N 456.499 0.914 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)CCO3)c1 1839727603 TVAQDAVLHADPDV-FXSPECFOSA-N 493.564 0.592 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H]3C(=O)OCN3C(=O)OCc3ccccc3)C2)C1 1839809936 UMICUDPYLXNVBM-NBGIEHNGSA-N 499.520 0.378 30 20 JCED COc1ccc(-c2ncccc2C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840041714 DDUAYBBBWJSEAE-VWLOTQADSA-N 479.489 0.915 30 20 JCED COc1cc(OC)c(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043416 WVHUWXAEROHNKL-NRFANRHFSA-N 450.419 0.001 30 20 JCED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840200019 SXIYMMWODWZYMO-AVRDEDQJSA-N 473.555 0.619 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840252279 SWYLHUKDVSCJGI-YZZKKUAISA-N 467.563 0.779 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840321657 FKEXFBZRICXAQC-GAJHUEQPSA-N 498.577 0.658 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2 1840712238 AZRWMJRGQLSMKY-HTAPYJJXSA-N 463.556 0.818 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840839719 BFRYYMSKXXJFJK-XLNZFTOWSA-N 479.574 0.474 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840909344 XYLZUITXBLOIER-FDDCHVKYSA-N 490.561 0.041 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1840912408 GAUGBOAVUPSJFL-UZFJHSOTSA-N 490.561 0.653 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840945638 XYJDQYFOYJMQAU-VGSWGCGISA-N 483.537 0.440 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845106685 BQUGHOFPUYACGL-ULQDDVLXSA-N 451.564 0.991 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1845132064 XAGACGPMRXRJFA-MRXNPFEDSA-N 497.556 0.931 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)cc2C1 1846195934 RRIMIKSFWKCEHX-UHFFFAOYSA-N 457.487 0.539 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)OCC(F)(F)C1 1846196222 AOZCCGOFWHSYBH-AWEZNQCLSA-N 471.457 0.549 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847448755 AQVJGTOPDWSUNM-BZSNNMDCSA-N 458.515 0.507 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847448921 FPEBRHUMQHWRSY-SQNIBIBYSA-N 458.515 0.507 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)cc1 105048329 VQGJQTFGZMAEIO-HXUWFJFHSA-N 460.556 0.809 30 20 JCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 109540279 BZWXZMAVNUENTQ-UHFFFAOYSA-N 452.452 0.723 30 20 JCED C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1=O 110090195 DNJMERLLLXSLBN-HXUWFJFHSA-N 451.468 0.905 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 495267652 MAGXTUOVCWUBST-UHFFFAOYSA-N 452.496 0.919 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(C)ccc1C 502058674 RALVEBRDEXENKN-UHFFFAOYSA-N 451.552 0.905 30 20 JCED N#Cc1nc(N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1C#N 504180668 GDQCNRIRUIJWLU-UHFFFAOYSA-N 451.871 0.534 30 20 JCED CS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)c([N+](=O)[O-])c1 507436562 VMHLSFDZJNYZQE-UHFFFAOYSA-N 451.486 0.776 30 20 JCED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 590995725 VDPPXRFCZBHEPE-UHFFFAOYSA-N 486.619 0.983 30 20 JCED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119993 VTJHADIFSFCOIK-AWEZNQCLSA-N 461.565 0.153 30 20 JCED N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)ccc1OCC(F)(F)F 604145682 RUXLUKZKJWBDEM-UHFFFAOYSA-N 467.404 0.387 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)C1=O 726043582 WLDZEKBOFMGVGB-CQSZACIVSA-N 465.484 0.167 30 20 JCED CS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 730724878 TZASXWOONLBFMY-UVPKWBSNSA-N 491.599 0.682 30 20 JCED Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c(=O)n2C 748409620 FYPUMGZJPADGIN-UHFFFAOYSA-N 473.511 0.758 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c1 784931428 NTZWNSVFBUATBH-NRFANRHFSA-N 456.480 0.719 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c(=O)n1CCOC 838257829 XKELTFRNNAUVCK-AWEZNQCLSA-N 473.551 0.154 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2Cc2ccccc2)CC1 917357047 ZPFHFMHNORQAQZ-UHFFFAOYSA-N 490.633 0.976 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ccc(OCC(=O)NC2CC2)cc1 918360906 QHEHRBKUFKQRIP-UHFFFAOYSA-N 456.524 0.741 30 20 JCED COCCCN(CCOC)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918468435 RGQQOLRRIXOXOI-PYCFMQQDSA-N 454.549 0.949 30 20 JCED C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCCS1(=O)=O 1286970615 PURGNVXWBIHMJS-AWEZNQCLSA-N 451.578 0.901 30 20 JCED N#C[C@H](C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1nnc(N2CCOCC2)n1-c1ccccc1 1344538944 CRBZIRCYEFXGBD-BHIYHBOVSA-N 498.565 0.316 30 20 JCED C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1494656586 NZYBJQOCXHMRHA-VFNWGFHPSA-N 460.560 0.875 30 20 JCED N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(N)=O)CCOCC2)C1 1505318487 NUDQENGFQOHCFV-FQEVSTJZSA-N 461.523 0.994 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)N(C)C 1510208705 MNNJSTLJJHWHNQ-QGZVFWFLSA-N 488.618 0.560 30 20 JCED CC(C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1609826818 SDFTXVGSNXSKDQ-INIZCTEOSA-N 453.569 0.266 30 20 JCED CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1635702126 ZTHCGYAQMQPNDB-FQEVSTJZSA-N 454.508 0.956 30 20 JCED COC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697092168 DIJYKHZHWAGAEC-SJORKVTESA-N 467.596 0.213 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCOC1 1706883718 PGJSKVCVZZIGTA-HTAPYJJXSA-N 489.602 0.628 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1765507081 VEMXFBFMZZBSEZ-QUCCMNQESA-N 494.666 0.377 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1778368084 BYALKUWHXNOHMP-QFIPXVFZSA-N 458.519 0.991 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1781263949 LNYJWSXSKROZNX-DHTSOJEISA-N 487.553 0.505 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1781269816 PDIOHCVXXUALRN-QFIPXVFZSA-N 476.555 0.231 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1781400860 QJEPYGUJHLUXLP-IIBYNOLFSA-N 466.560 0.871 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782057721 ZTDLFTPEZQWVSN-NFBKMPQASA-N 457.483 0.805 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782191949 CDWXXHZEXLWXOV-QKKBWIMNSA-N 474.543 0.206 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1782194603 KBTGWLHQUQVHHM-DEOSSOPVSA-N 465.558 0.516 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CSCN4C(=O)[C@@H]4CCC(=O)N4)C3)C2)c1 1782873396 TWPURYZHQVHBSE-XLNZFTOWSA-N 497.577 0.182 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)[C@@H](O)C1 1783478672 OWRPHBQVVAVQCD-PJVZLEMVSA-N 476.574 0.888 30 20 JCED CSCC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783562740 QRHSRZDXAQYIBH-AOMKIAJQSA-N 483.587 0.941 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1783600662 LULWJHISDVYLFY-IVZQSRNASA-N 466.535 0.822 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)N4CCOCC4)[C@H]3C2)c1 1788653954 GKMRBCLGGSPGAY-XLKQCQOGSA-N 456.543 0.558 30 20 JCED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21)c1ccccc1 1788709609 ZCPIMHVEHVXCMP-KIHHCIJBSA-N 471.598 0.450 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=N)N)C[C@@H]32)cc(C(F)(F)F)c1 1790256640 GNESSLVPIYICIY-RCBQFDQVSA-N 452.437 0.653 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3c4[nH]cnc4CCN3C(=O)OC(C)(C)C)[C@H]2C1 1790688560 YPRVPEDPILNXHY-MZRZTIOWSA-N 457.531 0.857 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccccc3)[C@H]2C1 1792243197 XZYQHFGDIDZWEU-GNDBENCUSA-N 468.554 0.643 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)ccc(OC)c1OC)C2 1792490595 IKBQEUUHCOHZJO-GNGABJRFSA-N 461.490 0.905 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793088238 XWHXJUOLAJDNCL-DFBDCSAJSA-N 470.567 0.653 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793431997 FXHYZPBZCVJEQO-OGJJZOIMSA-N 466.579 0.947 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C)c1=O 1793550559 BOFSABZALAULDR-UKBAYJJMSA-N 472.542 0.505 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795438504 HFMZTOJINUVLFA-AJYBTWMASA-N 466.579 0.378 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3ncc(C(F)(F)F)cc13)C2 1800777090 AEKUGNROPPAPFA-YQYWCBKUSA-N 450.373 0.873 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)OC 1801046421 OIHACCCVFSMHQG-DFBDCSAJSA-N 498.577 0.416 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](CC)NC(N)=O)C3)N(C(=O)OC(C)(C)C)C1 1801103957 OUDWZAVLRDNXJB-MDMSPXHWSA-N 479.578 0.589 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCSC)C2 1802126632 MDXJJRZZJBZNKB-ADHGMGHFSA-N 469.604 0.607 30 20 JCED C=C(C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1)C(F)(F)F 1804197573 HUDFTGUKIKNXBW-FUHWJXTLSA-N 474.505 0.936 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807721689 WAEYGEDQGBUWIP-UQVNRYHBSA-N 485.585 0.727 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1808271370 BEBMPQPGRSDFJI-VKRNSVOSSA-N 452.471 0.461 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1810445985 FPMARRDWQYMPBV-DSKINZAPSA-N 492.584 0.978 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(O)nnc3O)cc2)[C@H]1c1cccnc1 1811423889 HOXRVULFSVRNFB-OXQOHEQNSA-N 476.449 0.481 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCN2C(=O)C=CC2=O)n[nH]1 1815470561 GNMLBUUITNWPDU-MRXNPFEDSA-N 455.519 0.999 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)NC(=O)OCC)n[nH]1 1819242730 ZKHXJYHENTYIFR-KSSFIOAISA-N 451.480 0.976 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)CNCP(=O)(O)O)CC2 1819774415 NLRDOCKZTCKMIC-AINDZBIGSA-N 458.481 0.252 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822201308 YZZZACDVRHVWOP-UKRRQHHQSA-N 462.507 0.732 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCN2C(=O)C=CC2=O)CC1 1823745819 OGIYUGSEUCUIEQ-LIXSYLKWSA-N 456.543 0.780 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC4)c2c1 1823889466 YAGMJHUKZSFWDR-DGCLKSJQSA-N 466.527 0.710 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827401756 OILXKOLGSXLWHU-MMTNMYCKSA-N 469.550 0.518 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CN4CCNC4=N)C3)C2)CC1 1828921008 IKVLOYQSFSNGAF-RUZDIDTESA-N 493.568 0.582 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828956724 RXCYACGKHCWEJJ-DEOSSOPVSA-N 470.574 0.679 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)cc1 1829632428 XICPQUDDLADPAO-XMMPIXPASA-N 478.509 0.150 30 20 JCED C[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CN1C(=O)OC(C)(C)C 1829693527 KUIMVWSLTOKTLW-GGUMNFRJSA-N 493.557 0.566 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1829766298 QGDGPGLJURXUGS-QJKPHDSHSA-N 455.471 0.151 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1829769982 AMYRCRLGIQQPHJ-VRWDYKOXSA-N 468.510 0.110 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c(C#N)c1 1829956517 NYRCLDUMVNHLGG-UUOWRZLLSA-N 470.526 0.092 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831200746 MYNLPJCCCYGCFY-HCQBAUJFSA-N 468.551 0.278 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831222824 HXSAWEDWOZTHKF-WIOPSUGQSA-N 471.529 0.743 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1831396256 IGHVJMKUKDYODN-MWTRTKDXSA-N 456.499 0.387 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)cn3)C2)C1 1831396956 TXCLAKBWRNOLJZ-YWZLYKJASA-N 466.332 0.952 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1831413298 UWNOHCCXHRZRIV-HSZRJFAPSA-N 472.579 0.495 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833172572 UFPLTRGWNYNOFL-QHCPKHFHSA-N 451.483 0.426 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3COc4ccccc4O3)CC2)CC1 1833433293 SELVGDIODQSUCH-LJQANCHMSA-N 455.511 0.876 30 20 JCED Cc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834066302 OFRHYGFEJMUHOD-CMQXEDBBSA-N 450.492 0.890 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)nn3C)CCO2)C1 1834166905 CIWACMZDBCPPJP-UUOWRZLLSA-N 489.573 0.715 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)CC[C@H](N)C(N)=O)CC3)CC2)c1 1834735634 SXGHSBGBKZOWLD-FQEVSTJZSA-N 458.538 0.475 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835067907 APGNGUAHYOIVJL-VQTJNVASSA-N 480.654 0.704 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099310 GFKSHDSRCMKIKF-DEOSSOPVSA-N 452.511 0.651 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C)CCO2 1835149334 XSKBQQGPIOPMHA-HMLKYZKVSA-N 457.527 0.689 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4Cc5ccccc5C4=O)C3)C2)CC1 1835342157 RUJWTQOSYBCRGX-DEOSSOPVSA-N 452.511 0.793 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCN(C)C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1835390908 LRPLSQNMWWWMIJ-YADARESESA-N 480.606 0.960 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CCC4)CC3)CC2)CC1 1835440098 JUSYPWYOGAJZPX-UHFFFAOYSA-N 479.647 0.923 30 20 JCED CN(C)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672594 FGELRXCCGYZUHP-QHCPKHFHSA-N 458.563 0.499 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1835674841 GGIBCLXEXQDKJN-DEOSSOPVSA-N 468.558 0.615 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)c1 1835997251 IEYSPLPVLSEGCA-DEOSSOPVSA-N 466.494 0.499 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)CS(C)(=O)=O)CC3)CC2)c1 1836124184 PQOWCDBGPDWSEO-UHFFFAOYSA-N 462.572 0.797 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836643785 KZBRHJFKAGLDJM-KIEWMECHSA-N 455.511 0.305 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837375969 VMCFPWZFPIPQDI-UUOWRZLLSA-N 471.558 0.655 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1837393174 MUIDLRYDTRMCNC-JTSKRJEESA-N 465.572 0.507 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837427438 QLRKGZPSQFYTSA-OAQYLSRUSA-N 472.680 0.929 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1837441282 ZEEQUKMAXQIQTB-ZDXRRBIGSA-N 481.557 0.809 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837444000 WDRRSDRCABAOAU-NMWDDECMSA-N 462.551 0.071 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1837525032 RSKSAUOYYKKQLG-BSEHWYNJSA-N 498.540 0.866 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1837704555 XJGMDYVGTPUIPX-NXMSCROESA-N 492.573 0.050 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2)C(F)(F)F 1838472147 AJDZSSGFFCXCJS-LJQANCHMSA-N 469.420 0.520 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)ccn4C)C3)C2)c1 1838582544 SFAGOQUSENQZRW-DEOSSOPVSA-N 466.494 0.649 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1Cl 1838598705 YOABURVIKXXRMO-OAQYLSRUSA-N 473.921 0.615 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)nn1C 1838835061 IFDSDUVYKQHGES-HSZRJFAPSA-N 479.497 0.560 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)N1CCN(C)CC1 1839103270 KLOOAJJNBQLIEM-KOSHJBKYSA-N 473.549 0.403 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)c(C#N)c1 1839131944 JJVMGSOHGUFWLU-XMMPIXPASA-N 482.493 0.686 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c(C#N)c1 1839132865 STMNHKXZCKBEEM-HSZRJFAPSA-N 470.482 0.360 30 20 JCED NC[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CCO2)C1 1839345540 OTFBJYHZEDTVAD-OZXSUGGESA-N 462.550 0.442 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)c1 1839421064 UGNQYLCTIMHERG-QFIPXVFZSA-N 460.462 0.610 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423162 ZWKGOKONSUMNOH-YCRPNKLZSA-N 483.974 0.962 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839517873 DBNGZBVBFXXXMA-ZZAWEDPDSA-N 460.535 0.207 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840164387 HVVQBHVGJRHLAN-JHVJFLLYSA-N 473.592 0.133 30 20 JCED Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840387105 PZESHRUPGUPELV-HSZRJFAPSA-N 460.579 0.710 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840533225 UIPCTWIBUZOCOA-STSQHVNTSA-N 467.563 0.949 30 20 JCED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819709 AWYFQFYAHMVYEA-APYJYERMSA-N 463.556 0.552 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840901545 LZYFYVNDBDQDRP-HLRAKELMSA-N 482.537 0.973 30 20 JCED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c(O)n1 1842296841 PCUZMDKTWDQBGM-UHFFFAOYSA-N 450.459 0.163 30 20 JCED COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301803 JUOIJQXRIWGTGA-PCCDRTMGSA-N 485.578 0.805 30 20 JCED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 410010857 KNVQGSJYHHUTEM-SFHVURJKSA-N 499.589 0.897 30 20 JCED CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 492942151 AVAQDAKRTLEVEZ-SFHVURJKSA-N 468.601 0.985 30 20 JCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 501514078 OKOSJZNFYWIDHZ-UHFFFAOYSA-N 455.544 0.669 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCCSC)c2=O)cs1 516374757 UEHXFDUBODRFFH-UHFFFAOYSA-N 452.627 0.947 30 20 JCED Cn1cnnc1-c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 516440375 ZDMNGXDZXCSQJT-UHFFFAOYSA-N 479.522 0.825 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCc1ccccn1 522387590 WDNPVXBSOQZUKK-UHFFFAOYSA-N 492.557 0.600 30 20 JCED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)CC1 523288597 BGQZBUKRTAGYSO-UHFFFAOYSA-N 473.555 0.980 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(OC)c(C)c3)c2=O)cn1 523574546 RPWBQHCFDKNVBZ-UHFFFAOYSA-N 479.562 0.794 30 20 JCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 609203936 DMXUNOSIGLDFEM-UHFFFAOYSA-N 472.546 0.245 30 20 JCED CCS(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 729557982 FBYYKHVFHWHMQI-LVZFUZTISA-N 457.578 0.999 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 811835366 ZAHLUFDDWDVXBW-MRXNPFEDSA-N 494.551 0.258 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 827878079 MMBXLKCKOSYELO-LJQANCHMSA-N 491.614 0.143 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 828073506 RJMMORZDRUGSIA-RDJZCZTQSA-N 499.611 0.863 30 20 JCED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1=O 1301859283 BCTMJESYVZMHRP-FUHWJXTLSA-N 451.531 0.979 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1519165170 NRTAYOAAEKOWBG-DLBZAZTESA-N 456.569 0.547 30 20 JCED N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1CC1(O)CCS(=O)(=O)CC1 1555996645 XWUUYGXNSDTDJK-UHFFFAOYSA-N 450.565 0.470 30 20 JCED COCCN(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1619875147 NXFWFLHOZHNIHW-GOSISDBHSA-N 469.612 0.319 30 20 JCED CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1629486291 WYZDUJWPPNFMIL-UHFFFAOYSA-N 450.517 0.373 30 20 JCED CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1695923037 WWOVFSWFHHVELP-SFHVURJKSA-N 469.546 0.842 30 20 JCED C[C@H](CN1CCCC1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1706817044 OTOLDFZKCYSTIO-FGTMMUONSA-N 467.596 0.072 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1706935837 ZNEPQJNZVYNBEI-FCEWJHQRSA-N 470.621 0.734 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1722796702 WUPNBJABCYOGSK-LJQANCHMSA-N 487.586 0.241 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(Cn2cccn2)cc1 1741944328 MFQFEYFABRQVCS-QFBILLFUSA-N 470.559 0.910 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1761271423 QBARJWKDHOZUFE-KRWDZBQOSA-N 466.589 0.768 30 20 JCED CN1CC[C@@](O)(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1767510654 VGLFTROLVIPIBP-UTKZUKDTSA-N 459.938 0.657 30 20 JCED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1770317788 QPJHFBLVYFJNDB-SFHVURJKSA-N 458.544 0.689 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1778725997 HQSMEVVISGCGOC-IRYIGKPUSA-N 492.536 0.737 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066709 CDPXLVYXHKQQJF-CLOONOSVSA-N 493.601 0.791 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1)N1CCN(C)CC1 1779366175 VGGJJBFEFAYGEJ-NSICVPBBSA-N 462.639 0.608 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2ccccc2=O)C1 1779522835 IJSICESKIBGHCO-SIAHLLIGSA-N 456.543 0.782 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3sccn23)C1 1779987670 KLQCCOYYRFMEPC-LBUQITIBSA-N 458.540 0.922 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3I)C2)C1 1781587744 GRGLDZPLEYKWQG-SFHVURJKSA-N 486.237 0.962 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)ccc1Br 1781902920 IFAOLMPKAURUPH-NRFANRHFSA-N 499.325 0.967 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(n3ccnc3)CCN(C(=O)OC(C)(C)C)C1)CCO2 1783055517 WPRHOELWWAGNCI-PKTZIBPZSA-N 457.531 0.682 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)CCO2 1783922698 XYCCQBCFEGZVAM-QFIPXVFZSA-N 471.518 0.532 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785367360 LDJYXNGQCPAZQH-AOMKIAJQSA-N 450.536 0.786 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1)[C@H]1SC(=N)NC1=O 1785378703 MBPIBMDUHYOWGF-GKIWIXTESA-N 471.539 0.569 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788652584 IZCMLTXIVPTLKB-FZWFPLCUSA-N 459.565 0.176 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789927866 DMGGJDCEOOBTIE-SPOLIRPYSA-N 467.563 0.280 30 20 JCED CS(=O)(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1791769990 RQCILPUZXYDEBW-LQXZAOOASA-N 454.570 0.901 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)C2 1792489475 ZUJBUVSTXAFEAQ-HSFPKCAOSA-N 494.564 0.784 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]3C[C@@H]3N1C(=O)OC(C)(C)C)C2 1792491476 YITOCONHOZLSFJ-HSAWZMRYSA-N 488.585 0.832 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)c(C(F)(F)F)n1 1793164912 XGMVBPWTGMMFQL-DRXBFXEBSA-N 467.404 0.627 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1793356086 VPRARPGGDNIKJF-AVEIZBFRSA-N 454.568 0.409 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C3)c(O)n1 1794489828 JHSMILLFDWBHDS-KAISUZLGSA-N 487.582 0.911 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cc1 1795602183 AEUZSAFRBOZAPE-CEQLMSFQSA-N 455.559 0.596 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1795894665 GZNWQGOHBCECRY-QSMSVPEVSA-N 481.590 0.519 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1797121950 SMOCIDPOSHPLHA-FSNPWBFUSA-N 450.536 0.498 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1)c1ccc(O)cc1 1797808800 QQONKUHBTFHQCX-PNRYVWDLSA-N 471.554 0.129 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008917 OOLIGRLQLJIPNA-FQLMCAECSA-N 478.506 0.991 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1800711895 BCSSKOQFMWXBIZ-WHZNHKCRSA-N 467.494 0.403 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1800799621 DUMQSPHOOAYNDX-JYYAWHABSA-N 464.519 0.336 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801008999 LWVUKISQXCLRCW-FVSFCRNKSA-N 481.546 0.108 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2[nH]nnc2C)C3)N(C(=O)OC(C)(C)C)C1 1801103976 RODDHKMGJSIDRN-DFGXFYAUSA-N 460.535 0.882 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1801283931 LRDBEVXLNSAQAI-DAVFGYKESA-N 478.553 0.551 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2)NC(=O)OC(C)(C)C 1801928099 JWNKDWZANZMQGE-WEMPKCCASA-N 480.606 0.768 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801982630 QQPIADGCNISACA-IVSAIRAKSA-N 463.535 0.039 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1803565806 AYRJDDVOKALTMO-JMUQELJHSA-N 457.575 0.843 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1808441843 ZQDRJFBSZAQUJV-APWZRJJASA-N 468.447 0.322 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1810285070 XGVBVSNKAZDDCC-WVJORUBWSA-N 477.529 0.604 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccccc2C(=O)OCCO)[C@H]1c1cccnc1 1811399077 ZLUZTPBHQCFTGT-VGOFRKELSA-N 465.462 0.638 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)[C@H]3c3cccnc3)c2c1 1812068682 BLOXPBOAAGGKHC-AOMKIAJQSA-N 486.492 0.701 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812387604 QDZUSMVEUGNOLI-DENIHFKCSA-N 463.494 0.745 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1819393031 DFCPOKBWBNXCOT-VRCTWVPOSA-N 467.494 0.313 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1819424067 FJMRJGWXNHLQEF-IBGZPJMESA-N 491.614 0.831 30 20 JCED O=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)=NN1 1829121642 WQAXXDKYCVXXQO-RUZDIDTESA-N 477.521 0.728 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1829330184 AXMOMHXDYPFNMZ-STSQHVNTSA-N 457.458 0.885 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 1829334767 NFBNGZBFRDLLHI-DEOSSOPVSA-N 494.508 0.208 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c(C)c[nH]c3C)C2)C1 1829762266 BLQHBLHJVAZEBU-VOVDEZLQSA-N 458.559 0.879 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1829770382 MSWJGIQUXXQICU-GSRQWWPUSA-N 460.487 0.166 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)c1 1829901271 YZRIPTMKMGXKOQ-DEOSSOPVSA-N 498.561 0.669 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1830345344 AAGDALRFWGFGDH-RZZUAFPKSA-N 460.531 0.699 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352101 FJENOPBCVSCRNE-UTSGNWPNSA-N 491.610 0.541 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830885391 DRUYEIOEWBYXCN-WVMBUTMQSA-N 493.557 0.060 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830997838 ORKJNVMYLASXCI-YGKZAACZSA-N 479.530 0.224 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Br)c3)C2)C1 1831395945 CLCMDBWNENSLEK-YWZLYKJASA-N 466.332 0.952 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1831397686 VWQXXRXRFLQBSU-XVWGUNQUSA-N 475.517 0.498 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1831438254 NIFJAPHFIYLDQS-MOADCYBESA-N 491.560 0.920 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1831997900 HSXNFBBWJVQRFE-JTSKRJEESA-N 478.550 0.204 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1831999034 XHLVVHYUJLICRG-KOSHJBKYSA-N 496.605 0.827 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251938 ZORPJWUXNSMEDO-LJQANCHMSA-N 494.438 0.497 30 20 JCED COc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1832823784 CIGCGCIILQMFCK-QHCPKHFHSA-N 453.499 0.993 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1833028492 QGHWSAOHZBKTQE-MBSDFSHPSA-N 488.545 0.545 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)CC2)CC1 1833056341 LJJRMZDHNAYERQ-VQTJNVASSA-N 462.591 0.809 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1835356902 RIOUXLDRGIWSDX-XUZZJYLKSA-N 456.543 0.648 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1835674997 IJHPKJFALJJPOF-XWEVFREBSA-N 450.580 0.523 30 20 JCED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)C(=O)O 1835751187 CFNBBEUKHRFSJQ-XXBNENTESA-N 458.515 0.010 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(-n4c(O)nnc4O)cc3)CC2)CC1 1836131871 YMOGEFIHRFEGSN-KRWDZBQOSA-N 496.568 0.902 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2)C(=O)O 1836321869 NTOHRQBTPCTZKA-YWZLYKJASA-N 499.446 0.105 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1C)OCCO3)CCO2 1836461048 SSQKXLWVKLWARH-CVUHLLMESA-N 485.537 0.695 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC2)CC1 1836557537 GPJRYOQQKFCHTE-IBGZPJMESA-N 498.646 0.519 30 20 JCED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837242357 FEFHYUGZCYCUHR-GHRAFVERSA-N 463.556 0.796 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4ON=C(c5ccccc5)O4)CCO3)C2)CCC1 1837299651 FFWTWJIUJQONED-NFBKMPQASA-N 454.483 0.871 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1837308941 DYEIJSZBTUNHOF-TXTKFYIRSA-N 466.531 0.706 30 20 JCED C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447933 YNOYXEDKYPFMPE-CBWPXHNPSA-N 459.547 0.777 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493418 DMLYOBWUSPMPBQ-XMMPIXPASA-N 479.574 0.666 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838319604 ADBUIFSXVZVRMB-GAJHUEQPSA-N 491.545 0.836 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)nn1 1838352692 PQEXFJKVVIRSAS-HSZRJFAPSA-N 477.481 0.617 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)CNC(N)=O)CC4)CC3)c2c1 1838695620 OLKUJEHRQZOVNT-UHFFFAOYSA-N 453.503 0.715 30 20 JCED C=C(C(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1)C(F)(F)F 1838757378 YMWXOLZKDFVRGM-UHFFFAOYSA-N 451.486 0.390 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1838952220 JFCDFJQFKJOLEN-OAQYLSRUSA-N 474.564 0.489 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839083902 KOZSUSVFOQXMRB-IMWIBFENSA-N 477.558 0.353 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1839174954 GHMFVYIBHQWUMJ-NRFANRHFSA-N 462.528 0.975 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419543 HCLWZOXNCDPGKO-HSZRJFAPSA-N 460.506 0.930 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)c1 1839419738 SGLOIYCJYOJBPK-XMMPIXPASA-N 481.484 0.592 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)OC(=O)OCC)CCO2 1839685350 NZVIVHSCEKBOCN-IIBYNOLFSA-N 456.492 0.514 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839739195 UOJNDAHTSMNWCD-WMZHIEFXSA-N 488.545 0.614 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]4OCC[C@@H]4N(C(=O)OC(C)(C)C)C3)C2)C1 1839810567 DIVMEKSEAKRNTR-GSRZOBFVSA-N 477.558 0.491 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(NC(=O)OC(C)(C)C)(C1)C3)CCO2 1840003324 KGRRQVPWNYDEQL-PRRZOPQCSA-N 491.585 0.929 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840071873 LSKOPVHLUCFXOU-YJGRUCBDSA-N 492.573 0.507 30 20 JCED COC1(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)CN(C(=O)OC(C)(C)C)C1 1840161367 MJYVROKEAHVRHL-KSFYIVLOSA-N 487.619 0.787 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1840162373 VYDFOIBPIANZHJ-JLCFBVMHSA-N 457.556 0.959 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815059 UUZGKVXJHCIULZ-GAJHUEQPSA-N 480.562 0.412 30 20 JCED CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)C1 1840819959 QKWNUSJLSLSBHV-GBXCKJPGSA-N 456.543 0.735 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1840845488 YZTHDUYBABJRFA-XUZZJYLKSA-N 459.518 0.743 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840853770 NTPYOVWFRWPVFQ-GBXCKJPGSA-N 463.575 0.446 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1840908530 CBYRZDIUWDFCAQ-DVSDUFGPSA-N 453.511 0.717 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1840909504 UKPHFLIQARXFGP-KOSHJBKYSA-N 494.589 0.132 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)C)C2)C1 1840909625 YAXHKSJGNDCDBS-NTKDMRAZSA-N 480.606 0.748 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1840959219 BAESQVGFBJKECQ-VGOFRKELSA-N 453.536 0.655 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1841602902 ABRZJTMXWOSVFN-DLBZAZTESA-N 485.603 0.556 30 20 JCED CC(C)(C)OC(=O)N1CCc2onc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)c2C1 1843991352 CZQUSGHLEVJVMS-UHFFFAOYSA-N 458.471 0.873 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847090103 UYEXPLBVZKQAPG-LSDHHAIUSA-N 452.552 0.532 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847448917 FPEBRHUMQHWRSY-BZSNNMDCSA-N 458.515 0.507 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)c1 505960618 PSPRSRAKNIWBEW-KRWDZBQOSA-N 452.577 0.450 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(C)C 515922935 NVZJHWZUWNMFPA-UHFFFAOYSA-N 477.608 0.625 30 20 JCED C=CCN(C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[C@@H](C)c1cccc(-n2cnnn2)c1 596508395 MFGDALKXEYELFU-INIZCTEOSA-N 475.513 0.708 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(Cl)nc1 727163820 AVKSMEZIKQLQNH-UHFFFAOYSA-N 455.927 0.998 30 20 JCED C[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)c2ccco2)CC1 769239509 HAJGTWFZMRWLNL-HNNXBMFYSA-N 488.522 0.625 30 20 JCED CCc1ccccc1-n1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnn(C)c2)c1=O 839354817 HKCQHVUOBYPTMR-UHFFFAOYSA-N 476.606 0.862 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 878407319 PVGBXQPNAFOAAM-HXUWFJFHSA-N 485.566 0.918 30 20 JCED Cc1nc(SCC(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)c(C#N)c(C)c1C 916538095 YNWVASBVWBWRFX-ZDUSSCGKSA-N 454.530 0.527 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)c1 927571612 OWRPUQPESOVBIT-XLIONFOSSA-N 470.569 0.473 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(N(C)C)CCC1 1303861572 GUPFGBIMCLHEPH-RDJZCZTQSA-N 450.613 0.549 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)NC1CCCCC1 1360708047 PIFJXZRJCCMDBE-QFBILLFUSA-N 492.650 0.904 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCS(=O)(=O)NC(C)C)CC2)c1C#N 1492728223 WXEFQIHPXLTHJS-UHFFFAOYSA-N 475.623 0.799 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1510217122 GKFDAIJZXJSBFS-JSGCOSHPSA-N 481.533 0.841 30 20 JCED N#CC[C@@]1(O)CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1627464128 KVLDCLFYEXIXQB-QGZVFWFLSA-N 458.334 0.961 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(O)CCOC1 1692794928 GXGGGKIFOPRDPS-VFNWGFHPSA-N 493.565 0.377 30 20 JCED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1698298940 WPMDFBKJFGCCEO-SJLPKXTDSA-N 478.600 0.722 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1710329149 SDJGFJQIVMHRKT-HSZRJFAPSA-N 452.563 0.141 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1711292614 OIOQODLGSZRRRY-YWZLYKJASA-N 467.596 0.513 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccccc2F)C1 1750211605 PCNJWSSMTGQULW-SJLPKXTDSA-N 464.523 0.722 30 20 JCED Cc1cc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)CC2)on1 1751978787 SPLUCVCNMYQFMA-UHFFFAOYSA-N 470.559 0.985 30 20 JCED CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1770333322 RAOXQQNPKMGTIO-MRXNPFEDSA-N 460.516 0.804 30 20 JCED N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCS(=O)(=O)N2CCSCC2)cc1 1771533423 KXTXDUVWAIUQOI-UHFFFAOYSA-N 496.640 0.430 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(C(=O)OCc4ccccc4)CC3)C2)C1 1778279971 KYRLOQPYUIXTJZ-VWLOTQADSA-N 483.521 0.953 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1778980233 SNVUFPUUUXIZBN-KSFYIVLOSA-N 462.572 0.295 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCO2 1779000445 VYDXRZGBFYESFT-LJQANCHMSA-N 459.556 0.592 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779019792 FARGNDZXFOSCIR-ZDDFAFCGSA-N 493.605 0.660 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1781112771 DRPNGCZWZVFGFV-RXTFZPRWSA-N 490.557 0.756 30 20 JCED CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cccc(C#N)c1)C2)C(=O)C(=O)O 1781536323 CGCQPXACTGSBNW-NTKDMRAZSA-N 470.526 0.548 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1)CCO2 1783050578 XTJDUOCBFBFPTR-JXALWOEJSA-N 455.511 0.612 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CC)CCO2 1783883226 GCPRWDBAYPBVRQ-MFEFFIJZSA-N 498.577 0.393 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CCO2)C1 1783888228 GHXFBIMLODICDH-KKSFZXQISA-N 475.608 0.693 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785034033 LLJUBYVDIYIAEZ-FHWLQOOXSA-N 455.621 0.689 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785349677 KCRZZQFELRZTDB-IERDGZPVSA-N 456.609 0.687 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1785595936 DYDPBGIUCBGIOJ-JRVVOHRXSA-N 489.529 0.801 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1785606754 BLNLMTIHDDPVEQ-LHSJRXKWSA-N 451.524 0.135 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601313 URMUJTXDZLQEEA-VXYRRQGOSA-N 491.614 0.691 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)n1ccccc1=O 1788746066 KOPRBSVZMSGDQJ-HEEWZMQBSA-N 460.531 0.918 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790857328 TZRCQSMSLIMLFC-RZFLPCETSA-N 464.563 0.572 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1791107901 UOVNTYNZSRYBFK-ADHGMGHFSA-N 462.547 0.640 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1791286482 FYXLWUOROGDGRN-MQKZXWNDSA-N 459.499 0.533 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791286724 HSOPIUGXEDGVRJ-GWOIBFRYSA-N 495.573 0.499 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1792322775 GUUSJDQXYPFBSW-XSLAGTTESA-N 467.538 0.963 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(=C/c1ccco1)NC(C)=O)C2 1792491080 YYDUOFPUOXPSHE-VKJXBQDMSA-N 456.499 0.205 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)C1 1793082401 FLBBJPAZRZRVRL-QVXMBZQBSA-N 493.605 0.684 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCF)cn1 1794409932 HBDZFTJCHYBEMW-RCJHGTSTSA-N 491.520 0.902 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC 1795206589 KGUSOGUQQHSBEK-DFGXFYAUSA-N 484.550 0.028 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1)c1ccc(O)cc1 1795442757 DENNKAVXKNLEQX-HULNYRCFSA-N 455.555 0.811 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CS(=O)(=O)N3CCCC3)c2c1 1796441094 JPLZGAWCBVPJGR-CWPLJXCYSA-N 486.554 0.063 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796444399 SPHHUIWWNOVYCU-IKPIXVSQSA-N 469.585 0.404 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1 1798485308 KQPSULRQWAIEEF-KWXDATOUSA-N 466.579 0.745 30 20 JCED COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236548 XXMZOGYYLMQETA-BJWYYQGGSA-N 480.562 0.736 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC[C@H](N)C(N)=O)C3)CC1 1800029540 ARYCFMJTBGYYAH-MHORFTMASA-N 490.605 0.758 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)CC1 1801965018 WMIZAEAHCCCDKK-HATOLVCRSA-N 460.575 0.542 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801979334 SMLJTVIHGLWTGW-YVSFHVDLSA-N 450.536 0.546 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cn3[nH]cnc(=O)c3c2C)[C@@H]1c1cccnc1 1802488155 SDKQYKXRAUZCBU-AWWPTUBISA-N 489.536 0.904 30 20 JCED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)C3)N(C(=O)OC(C)(C)C)C1 1802507021 YHQGWLJUUXMBNQ-IVSAIRAKSA-N 498.544 0.630 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1804347230 YYKZCBHUOXTOHJ-BBTUJRGHSA-N 467.526 0.384 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)C(C)(C)NCCC#N)C2)CC1 1809771260 RSHFRLMIRCKTPV-KRWDZBQOSA-N 455.625 0.827 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810279351 UOAWNMMOUNJPFK-YKMTWBPMSA-N 466.542 0.874 30 20 JCED CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810359547 XBMXEKQOIGYTMU-ZJWSGYRYSA-N 460.535 0.888 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC4)c2c1 1823889465 YAGMJHUKZSFWDR-AAEUAGOBSA-N 466.527 0.710 30 20 JCED CCN(C)[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829241464 HQPLUXYUKIWNPB-KBMIEXCESA-N 484.553 0.867 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C3)C2)C1 1829670611 FPWSTDRVPAFMHM-HSZRJFAPSA-N 467.563 0.950 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)cc3OC)C2)C1 1829773489 LDJBUMSJQSJAIB-WEHRJKGCSA-N 457.527 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Sc3ccccn3)C2)C1 1829773816 WTDUILTUUKZOAW-QDFBPKLPSA-N 474.583 0.877 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830885778 KYIJXXXZQXJMCZ-BSRJHKFKSA-N 499.630 0.976 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1831437647 FOVBKPHSNUZZLG-XLNZFTOWSA-N 459.543 0.852 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1831998688 QUHPISCANMVNRX-IVZQSRNASA-N 479.534 0.655 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCN(Cc3ccccc3)C1)CCO2 1832303861 PKPQKJKJLSDTHY-OFVILXPXSA-N 469.538 0.443 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1833105445 ISJSWRRTYJRDOS-DVECYGJZSA-N 487.557 0.887 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098775 PSDWECBPDSLLSR-REWPJTCUSA-N 454.552 0.521 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c(O)n1 1835119591 RNDGJBOJUOPAAH-MBSDFSHPSA-N 458.515 0.254 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1835765461 KCYROWHWMVQRBE-XJNGEBIUSA-N 463.579 0.613 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2 1836259194 HNSKSFJUBJSYSP-OAQYLSRUSA-N 464.544 0.102 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836306063 YWMJVVPQROSAMU-ZGNKEGEESA-N 490.561 0.653 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836357150 NPJLJHIXWOSHAN-UHFFFAOYSA-N 450.536 0.559 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836479774 PUWJEDYEKPHWBM-RLSLOFABSA-N 490.601 0.668 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)CCO2)C1 1836552464 IYUCXISYCQRMLD-PGRDOPGGSA-N 462.503 0.941 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1837531407 LYSWMVYVZSQPIC-ADVHWAFKSA-N 492.573 0.373 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2 1838468991 WVRHZLIVAUDGAI-HSZRJFAPSA-N 473.530 0.384 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742636 KNMXVJXEFWIKTQ-MHECFPHRSA-N 485.541 0.873 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839229129 ZRHGCMDIDKXQOI-LIRRHRJNSA-N 472.589 0.104 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)cc(C(F)(F)F)c1 1839443542 NYEBCMDUPHZWFU-IIBYNOLFSA-N 480.443 0.783 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1839649821 LXFKZIOEERLONM-XMMPIXPASA-N 450.495 0.623 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839726911 NJDXXDDJUHHSOK-PETUGJSASA-N 487.597 0.669 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)C3)C2)C1 1839808598 VXFOSNHVAKKOAJ-IIBYNOLFSA-N 471.501 0.968 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1Cl 1840204814 OEENHCTXQKYBSS-IBGZPJMESA-N 488.850 0.960 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CN(C)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251688 UFODZWXQOFUPBN-YADARESESA-N 478.590 0.570 30 20 JCED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1840320512 HYTTYIFZVDBTGV-SGSXCFNPSA-N 451.501 0.299 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)N(C)C)C3)C2)c1 1840711855 KTBXVJNLTCGFCC-HXOBKFHXSA-N 457.531 0.655 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1840712840 VJVQSMPZWGHOGW-PNCHPQGNSA-N 492.598 0.711 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840807775 SYNNOHLCEZIHFT-MBSDFSHPSA-N 460.531 0.482 30 20 JCED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cccc1=O 1840818486 FEEUGISDNQUBLR-XMMPIXPASA-N 466.494 0.406 30 20 JCED Cc1ncncc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819914 NSJOAKGOOKFHML-QHCPKHFHSA-N 451.483 0.806 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842918918 BRAXPVYZAZRQLU-INIZCTEOSA-N 451.568 0.747 30 20 JCED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1)NC(=O)OC(C)(C)C 1842948386 MWJIIWMVZSKDHZ-HOTGVXAUSA-N 451.568 0.642 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC4(CCCN4C(=O)/C=N/N4CCCCC4)C3)csc2n(C)c1=O 1844259529 AWIZFKQQKCENFF-WYMPLXKRSA-N 486.598 0.516 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(C)=O)C2 1846366206 ZXORWGOXPBIKPL-RDJZCZTQSA-N 495.577 0.520 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)nnc12 16617782 DEWMNCPBAJRPJJ-UHFFFAOYSA-N 465.495 0.972 30 20 JCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 17222805 MCCVMSBRLDTFLU-UHFFFAOYSA-N 460.512 0.346 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1 17591907 AQAIQELFAZTABQ-UHFFFAOYSA-N 491.591 0.690 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)cc1 517983703 NIDAYCXKSCGFJX-UHFFFAOYSA-N 466.563 0.745 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(F)cc3)c2=O)CC1 517983886 GDDSQFZAZDRLPB-UHFFFAOYSA-N 456.543 0.677 30 20 JCED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 518210520 IDOJWMVLJVRZPD-UHFFFAOYSA-N 484.538 0.690 30 20 JCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 518579628 JIOHWMXWVORGLP-UHFFFAOYSA-N 457.512 0.892 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)c(C)cc2C)c1=O 523477626 JYNXFAYSBWVCCS-UHFFFAOYSA-N 498.649 0.823 30 20 JCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 604131684 VUBMVMLZZLPCBG-UHFFFAOYSA-N 485.570 0.676 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CC(N)=O 608911429 DCVGJBAJUKVNHG-UHFFFAOYSA-N 490.969 0.629 30 20 JCED N#CC(C(=O)Nc1ccccc1Br)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 608912284 RRKJLQFSUDJTJR-UHFFFAOYSA-N 484.335 0.694 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCc1cccnc1 609038209 JGPLQCCKIZBEMN-UHFFFAOYSA-N 479.518 0.721 30 20 JCED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)CC1 728248946 CVTCQGHIJQRSEO-UHFFFAOYSA-N 491.595 0.690 30 20 JCED NS(=O)(=O)c1ccc(OCCOC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 749008456 SWGXPUGBXQMKKU-UHFFFAOYSA-N 467.525 0.775 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 749865532 WDUIRJNBQBDRPK-UHFFFAOYSA-N 475.958 0.844 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cn2cc(Br)cn2)CC1 917316040 JODVPHMZXLNKLB-UHFFFAOYSA-N 496.343 0.594 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1141772926 PDWLYUJZIXDFIP-GDBMZVCRSA-N 454.574 0.545 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1298937777 PWWCBROMDYBMRQ-HNNXBMFYSA-N 453.569 0.123 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1314542840 XDYYACNTYJQOOW-UHFFFAOYSA-N 489.602 0.783 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCn1cc(Br)ccc1=O 1450363655 OATPSSFEOJONRX-LBPRGKRZSA-N 453.318 0.966 30 20 JCED COCCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)cn1 1504897213 OGOZYBKXMWGIKQ-HNNXBMFYSA-N 450.569 0.910 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2CC(=O)NCC(F)(F)F)cc1 1505319666 GUPUGAHKQKKIHS-MRXNPFEDSA-N 479.463 0.928 30 20 JCED N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1505326441 OEEBXALAGNXLOV-MRXNPFEDSA-N 467.621 0.738 30 20 JCED CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCCO1 1641635039 ZLMVLYRUTFAFRQ-MRXNPFEDSA-N 452.533 0.979 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 1667098403 XWCZOHVFCQJEBC-UHFFFAOYSA-N 457.535 0.864 30 20 JCED CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1711162838 JNSCODLWMWRRMB-LAUBAEHRSA-N 461.544 0.751 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1723961140 VUFJVYGTNROHFN-IHPCNDPISA-N 489.602 0.518 30 20 JCED CCCN1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1728160129 XGLYXTQMSQACDY-BZSNNMDCSA-N 467.596 0.214 30 20 JCED Cc1ncc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)s1 1742621343 CCZVQCHHABAXPK-WMLDXEAASA-N 455.541 0.866 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CCO1 1748211339 YZKVCZHIIWVBIR-FXAWDEMLSA-N 453.547 0.736 30 20 JCED CC(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750572016 JFTKQKQTXSPANC-SFHVURJKSA-N 486.602 0.546 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(N2CCOCC2)CCSC1 1751206205 QVVCKXPNJSNANX-JTDSTZFVSA-N 471.653 0.835 30 20 JCED CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)c1ccccn1 1760813300 JPTHYTGVPWHIFZ-IRXDYDNUSA-N 475.575 0.713 30 20 JCED O=C1NCc2cc(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)ccc21 1778723317 QWEQAPHSGROTKV-OXZVPYCZSA-N 456.499 0.903 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1778999752 KZNJSYBHEGOSAB-QFIPXVFZSA-N 470.606 0.912 30 20 JCED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)C=CC2=O)C3)cc1 1781013630 UYFGRBQVEDOGFI-NTKDMRAZSA-N 450.495 0.805 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781173653 UPWBGFXSJIUXLX-OFNKIYASSA-N 458.515 0.090 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1781271956 UPVBQLIDZYDQKV-QHCPKHFHSA-N 486.562 0.022 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300593 AIGKGKMDQXMRSN-NZQKXSOJSA-N 475.473 0.565 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781655476 FDXFDCLRBZKZCL-CSODHUTKSA-N 456.561 0.587 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(=O)n5[nH]cnc5n4)CCO3)C2)c(Cl)c1 1781967544 JWCMVRMBQTZFEF-OAQYLSRUSA-N 467.873 0.700 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1782206725 LPFPWVGHBWVGEF-MLVQSYCXSA-N 452.552 0.588 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C[C@@H]21 1783530758 BAWGVDREWLZELS-KJDLQJKJSA-N 455.511 0.910 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCC(=O)Nc1ccc(Br)cn1)CCO2 1783558339 XAFBFWVGYFEAJZ-FQEVSTJZSA-N 493.314 0.481 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCNC5=O)C[C@@H]32)c1 1783911901 CKTJDNPRDJPAEB-IPJJNNNSSA-N 476.537 0.724 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783991475 ZMVMXDDRUDUNAL-ATIWLJMLSA-N 455.552 0.443 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786562486 SBMQXCLRSVOZKJ-CMOCDZPBSA-N 456.495 0.513 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CS(C)(=O)=O)nc3)[C@H]2C1 1787251665 ROOMQFYSKXOIOR-LEAZDLGRSA-N 479.599 0.793 30 20 JCED Cn1c(=O)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)c2ccccc21 1788139731 PYPQQDTVVGBDMG-CWWCBOJOSA-N 482.585 0.791 30 20 JCED CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C/N=C/c5ccco5)C[C@@H]43)CC2)CC1 1789807484 JGROXDKOROMSRM-VCVUETJXSA-N 457.575 0.458 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@H]4NC(=O)NC4=O)C[C@@H]32)c(Cl)c1 1790229399 HKCJJWDMSYOSSB-SDNTUTLCSA-N 459.890 0.403 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078865 BZTICCCUPOQILQ-OKYOBFRVSA-N 475.542 0.751 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791351370 ORBJIMLCPAWEAM-NQFGCGTESA-N 490.601 0.962 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1792256818 MMEAMCUDAMXICW-FPSMNIFISA-N 450.536 0.017 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1792836183 KWWWMVCHQIKXLP-OPMZPASUSA-N 479.986 0.012 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc([N+](=O)[O-])ccc1F 1793807272 TZWNQGRVPBNZGG-JLRLZTEKSA-N 460.462 0.724 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O)c1ccc(O)cc1 1793835412 SMFNJFRZVXVXGS-OVCNXMPXSA-N 468.510 0.031 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc[n+]([O-])c1 1794251843 ZWCFUQRVZFFXPE-RDGPPVDQSA-N 458.515 0.440 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1CN(Cc2ccccc2)CCO1 1797249866 CRVSADYYTPHJTD-FQQNVSCMSA-N 483.613 0.949 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2)c1ccccc1 1797874463 YZHHMXUDYUDVAF-KYHREEPGSA-N 452.511 0.371 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1799048912 SCEANOJPXBZRBE-PHXBYCTMSA-N 473.549 0.815 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCC)NC(C)=O 1802039496 APRMQAMOILXNOP-WPVAHCMFSA-N 478.590 0.797 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1802482743 OJACZKNXPSXLMP-BTOOWLAUSA-N 482.585 0.110 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1807146799 AFVYRYQWKSHSGE-VQIMIIECSA-N 464.530 0.572 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1811534891 UIJXTSLHJVTCNJ-LJHODMEESA-N 458.544 0.929 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)[C@@H]3c3cccnc3)c2c1 1812069232 UUCAJUCATDSWKZ-UQASEVPWSA-N 486.492 0.747 30 20 JCED N#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1817124626 RRMNFGHVFQUGMB-CWRNSKLLSA-N 473.559 0.886 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccncc1=O)CC2 1819907531 PRHSBQBHQVDFIN-UERFZAEFSA-N 460.516 0.841 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC3)c(C#N)c1 1822808041 SKKUWXYNYYDDNQ-ZBFHGGJFSA-N 470.555 0.771 30 20 JCED C=CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1828585744 ZAYWWNAANIMDDO-HOYKHHGWSA-N 487.557 0.698 30 20 JCED CS(=O)(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828810585 NVNFKMQUAQQHDF-JOCHJYFZSA-N 476.555 0.787 30 20 JCED CC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332727 WNQCIANVDARWDY-DEOSSOPVSA-N 469.494 0.896 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1829460404 NVRYKGBXHQJKTM-RUZDIDTESA-N 495.536 0.404 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1829769221 NZRHTLWWYMKOGF-WRAFWBCBSA-N 496.524 0.368 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(F)cccc3F)C2)C1 1829769349 RGKJSCCJSNAVTC-FUMRIQNTSA-N 463.481 0.822 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]13COC[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1829846530 VRGIKBOMQHPYCO-OWAUWMPXSA-N 491.585 0.740 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1830062821 FEAPRMWGKAMJPC-NRFANRHFSA-N 467.519 0.849 30 20 JCED C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(F)(F)F 1832161578 WYGWOMZABCABPD-DDCBRMDLSA-N 450.458 0.228 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832205694 NZIYJTSJCDOICL-WMZHIEFXSA-N 457.531 0.461 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832357047 LMPNGVPYPWMXIT-SOWQTONRSA-N 486.569 0.946 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c(O)n1 1833696830 PGSWVEUANBPULR-XMMPIXPASA-N 468.510 0.923 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(Cc3ccccc3)C(=O)C(F)(F)F)C2)C1 1834765925 MPURZXDDSCOYDP-NRFANRHFSA-N 482.459 0.948 30 20 JCED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835244493 IBDVAOYZSWIJTD-KTBYTZPXSA-N 452.529 0.606 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1)c1ccccc1 1835315023 XBGACOIWGHNWJK-DNRQZRRGSA-N 453.539 0.919 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CC1 1835403795 UDRPRYAKEPGSNO-VWLOTQADSA-N 454.571 0.132 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)ccc1F 1835448693 VOGYXAZFPNNGLD-DEOSSOPVSA-N 474.533 0.419 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1835750156 INZHOCZQYPVBTC-UHFFFAOYSA-N 495.584 0.301 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1835773148 CDPBBCCYFAZNSO-UHFFFAOYSA-N 489.573 0.794 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1836033976 LJBGUEAWTBYILN-COMOFLLJSA-N 464.494 0.749 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)c1 1836128792 VPGDXHKIULWDMK-QHCPKHFHSA-N 452.467 0.651 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1836470447 XSXNCBDZLYEZSW-JJDHCWFKSA-N 470.482 0.635 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837146599 DVXUPLADHJALCN-DEOSSOPVSA-N 457.527 0.983 30 20 JCED C#CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CC2)CC1 1837340922 STIWPZBYVYRBGN-UHFFFAOYSA-N 453.543 0.653 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1837495710 AAGKVHPJANTAPY-REWPJTCUSA-N 466.531 0.706 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1837530959 ADXWGLLDAQQUJX-CHKZVEJASA-N 467.910 0.729 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1837658531 OOBZSMUQJAZUFF-LPHATQMZSA-N 488.589 0.215 30 20 JCED COc1nc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1838175355 QRGRDWIADAFCHI-RZZUAFPKSA-N 459.547 0.940 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)nc(OC)c1)CCO2 1838228058 AKEAQKAVQBQRIE-QATSOJGNSA-N 478.933 0.672 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc[n+]([O-])cc4)CCO3)C2)c(O)n1 1838333358 DROMSLKCINTAOL-XMMPIXPASA-N 468.510 0.923 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCCCO)cc1)CCO2 1838547813 MAMOVADZFQBVNM-TUIZQPODSA-N 488.585 0.990 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1 1838830653 KUXRUGYCPZGOFU-ZZAWEDPDSA-N 460.535 0.417 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)[C@H]1SC(=N)NC1=O 1838906839 IQMHMIVKSRBGBJ-ORHBMQHOSA-N 471.539 0.431 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5cccnc5n4)C3)C2)c(C#N)c1 1839132519 IJWCYOXZLSKAJX-RUZDIDTESA-N 490.520 0.922 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCOC4)C3)C2)c(C#N)c1 1839133570 WYBNAPDHSQQUHH-YADARESESA-N 457.527 0.992 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=C\C(=O)NC5CC5)C4)C3)c2c1 1839488182 CCMLVPZTIOFHPP-VRWDYKOXSA-N 478.509 0.339 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(C(F)(F)F)nc3ccc(F)cn13)CCO2 1839620247 ARSPXIPZDUMGRS-FQEVSTJZSA-N 498.389 0.650 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839713179 WVUJISPCIXDYOZ-BSRJHKFKSA-N 490.561 0.212 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CCO2 1840003011 PHDZSWAAXNBMGE-GOTSBHOMSA-N 476.530 0.232 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840077207 FZRWQGFUYLSPIZ-JOCHJYFZSA-N 464.519 0.026 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCSC)CCO3)c1 1840197927 CKJIZXFSOPWPLQ-DENIHFKCSA-N 463.556 0.751 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)cc1C#N 1840762742 NMOUFACBVJYZIV-WMZHIEFXSA-N 472.498 0.524 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1)NC(=O)OC(C)(C)C 1840795484 LBQZBQKQZSTFIN-RHGYRFJNSA-N 494.589 0.581 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1)NC(=O)OC(C)(C)C 1840795916 JGBXUMLCFBEXOI-JPYJTQIMSA-N 485.578 0.311 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1 1840812748 JJRDBTJFNSSPBW-QHCPKHFHSA-N 475.567 0.783 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1840819478 MWSIGHWOAAODGQ-XMMPIXPASA-N 492.492 0.456 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1840882314 DZSCOJRSBFRMCA-JTSKRJEESA-N 469.535 0.475 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CN)C1 1842871179 HGTATNRXWWBUIF-CVEARBPZSA-N 467.567 0.590 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1845187199 HKEKBQHFAORCRH-MRXNPFEDSA-N 453.536 0.975 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196808 SBFBXLRRIWHXOS-SFHVURJKSA-N 457.487 0.535 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C 1847806230 SWZNTAWPOCADLM-BDXSIMOUSA-N 479.578 0.568 30 20 JCED Cc1ccnc(NC(=O)CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 60363308 GRGLDLMBOVCMDL-UHFFFAOYSA-N 470.555 0.665 30 20 JCED N#CCCN(C(=O)CCC(=O)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccccc1 110897008 FTVQCQUIALBPLM-UHFFFAOYSA-N 462.466 0.998 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(F)c(F)c2)c1=O 501802985 HVIPYEBPBHBHKU-OAHLLOKOSA-N 491.516 0.939 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCNS(C)(=O)=O 589160317 GTINWKKOBIFADK-CQSZACIVSA-N 463.581 0.586 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H](C)c1cccs1 608829824 MLCQSCGZLSNEOE-UONOGXRCSA-N 457.581 0.968 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc3cnn(C)c3)c2=O)cn1 726180423 JHIDHSHOUXBEHR-UHFFFAOYSA-N 469.571 0.283 30 20 JCED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@@H](C)N1CCOCC1 729883040 XORWAHIZXDGOQN-DBPDSBIXSA-N 465.576 0.663 30 20 JCED CCC(CC)N1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 915583411 ORCLUEWYAKRRKR-SFHVURJKSA-N 490.582 0.971 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCOC 916199045 ZXAIAINBMHMLFU-UHFFFAOYSA-N 453.467 0.423 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccc3c(c2)CCO3)c1=O 917770763 PAMDETBXAFXXKD-UHFFFAOYSA-N 471.579 0.925 30 20 JCED C[C@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1510237745 USZZCFKWBMHKQI-OPYAIIAOSA-N 476.559 0.247 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCO[C@H](C)C1 1541116368 NXANXWYZQNDOBA-QRVBRYPASA-N 483.639 0.708 30 20 JCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)CCO1 1555993168 JTZVXAVZSGKBQA-IRXDYDNUSA-N 450.565 0.702 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(C)=O)C1 1589404537 KNCLUZYFKWWRLY-GJZGRUSLSA-N 491.412 0.625 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1627409708 XRAUPNUXQKFVQD-INIZCTEOSA-N 452.533 0.979 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC(=O)N(C)C 1723960699 UOJMKCCYABHEDM-WMLDXEAASA-N 461.548 0.426 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1747448386 QNQRZWSABLJGHV-KRWDZBQOSA-N 473.559 0.479 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1778105261 QNMHOPKTVGIYED-ZSNHMIAGSA-N 452.552 0.896 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1778967620 MBCIAABZPIYUCV-UQBPGWFLSA-N 485.585 0.425 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(OC)n(C)n4)C3)C2)c(C#N)c1 1780434664 FFHHMZXQCRGIKP-HSZRJFAPSA-N 453.499 0.995 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)Cc5ccc(C#N)cc5)CCO4)C3)CC2)CC1 1781106122 OGIDJLBWLAXODV-XMMPIXPASA-N 451.571 0.711 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1781165351 JUQRBKWOLSJHOX-JTSKRJEESA-N 485.603 0.558 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CCN4CCN(C)CC4)CCO3)C2)c(C#N)c1 1781173302 CCQMTYVFZWOQIB-VWLOTQADSA-N 469.586 0.577 30 20 JCED C[C@H](NC=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1781252209 OJMKXASLHZZLAB-SBUREZEXSA-N 477.562 0.492 30 20 JCED C[C@@H](NC=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1781252211 OJMKXASLHZZLAB-UZUQRXQVSA-N 477.562 0.492 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2 1781692169 DQFUZUHNJLXCIG-HOOSLVGPSA-N 478.590 0.895 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781861079 NFNMJBPWQFFQRN-IIBYNOLFSA-N 455.508 0.169 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(n4ccnc4)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1782862013 NUPPKHXOYGWUSB-PKTZIBPZSA-N 457.531 0.682 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CCO2)C1 1783888222 GHXFBIMLODICDH-HRAATJIYSA-N 475.608 0.693 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1784186243 LYFOSRFIUITZPL-RIQLYKPZSA-N 490.557 0.601 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1785328569 IEKSSICQQFSNTN-HMLKYZKVSA-N 454.527 0.495 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785516343 OMGYGKLVPOKJMY-SEPYTNNBSA-N 481.546 0.311 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1785574672 NZRRLZFYHGBFNV-CPJSRVTESA-N 491.633 0.370 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCOCC4)n3)[C@H]2C1 1787656234 ADZAYRDLXFNCCN-JVCMNYIZSA-N 483.569 0.370 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C[C@@H]32)c1 1789256811 VPEXBMTZIRFTPE-YSSFQJQWSA-N 468.470 0.965 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1789905838 UHMKTUIGXIPHLC-XSLAGTTESA-N 466.579 0.962 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1790176422 RHMLWLUUOXYBDA-JPLJXNOCSA-N 458.515 0.995 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1791143084 QHJUFKYEQMFWQZ-ANULTFPQSA-N 487.594 0.463 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)C1 1792629450 CPUCCDSTSXXXPA-XEMDLRDOSA-N 454.527 0.907 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792636030 BTGJWYPMNPCJGA-JYYAWHABSA-N 466.535 0.582 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCNC(=O)OC(C)(C)C 1793088517 DZIVRAAGQZVDOG-RMFSNUHRSA-N 467.563 0.547 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1793384146 OAADKLPSZJTKCM-DLTLXFJOSA-N 470.555 0.728 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2nc(C)sc2n1 1793660124 BYHQPAWFVJFVJX-CXMDPZGFSA-N 458.544 0.090 30 20 JCED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795997094 VEGVPPKDOXYRRL-DRXBFXEBSA-N 474.461 0.610 30 20 JCED CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)C3)CC1 1797234542 KKMYSUXZQBMLIS-CCWDJLKJSA-N 480.491 0.423 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC 1797586579 COSLRNQSRUAHLG-CNMWIUBYSA-N 498.577 0.500 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1797668998 KFVTXTWJBYOVRW-KYHPRHEASA-N 479.534 0.295 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1797808576 JXTTZVVIEDPNOO-VDNFSCKISA-N 461.519 0.253 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCNC(=O)OC(C)(C)C 1799260602 YIKYFGPANKJPPV-XEMDLRDOSA-N 453.536 0.157 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2 1799322019 YGLAZBUKYXPNNF-ZMMAXQRCSA-N 497.662 0.920 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC(=N)N)C2)C(C)(C)S 1800907991 STFHBKWXOQIMJJ-AYRXBEOTSA-N 489.664 0.804 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1801003364 KMCGSZTZXZJIFE-LVDFWZHTSA-N 450.513 0.692 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1801244583 XELVYTRVBPVVLU-NZGUISNBSA-N 471.558 0.849 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)=NO2)C1 1801889400 IGXQJACAFIAOLK-QDMKHBRRSA-N 460.487 0.478 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1810248927 TWGUWCXARHFWGZ-WNHJNPCNSA-N 466.604 0.988 30 20 JCED CNC(=S)NCCC(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1810306133 HCVKKVDXHMRRAV-MJGOQNOKSA-N 459.620 0.853 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(F)c(C#N)c2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812392716 WAHWPFVGPWHYKF-HTAPYJJXSA-N 481.484 0.884 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812880277 NPVJZAVBZLHXMY-FUHIMQAGSA-N 474.514 0.451 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC3)c(C#N)c1 1822805811 PVKLTGNXOCXLHH-AWEZNQCLSA-N 482.522 0.730 30 20 JCED Cn1ccnc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332610 RWRBFPMCPIRZLF-DEOSSOPVSA-N 479.493 0.574 30 20 JCED Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n(C)n1 1829332620 SDKWZGYWGBEIPJ-VWLOTQADSA-N 493.520 0.882 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829712956 HGYRDUHVYRTQBI-HSZRJFAPSA-N 465.616 0.190 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(C)C)C(C)C)C2)C1 1829765143 IIZIFXXCHHTIFU-KLHDVOOMSA-N 450.580 0.324 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1829766321 RGDATTOELRZKCE-QEVIJRNUSA-N 461.544 0.344 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)c2ccco2)CCO3)c(C#N)c1 1829825834 MJIOLWMLVIRRBY-ISKFKSNPSA-N 469.494 0.892 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c1 1830456867 VAUMXLPFCUHNQU-HYBUGGRVSA-N 454.527 0.473 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CCO2)C1 1830882840 YABQCGDNEWNHSJ-XFQAVAEZSA-N 473.592 0.397 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1831387371 GQJCPAKBEVGKMU-JTSKRJEESA-N 464.540 0.198 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1831413166 OXXTVEXOVKBLBY-JOCHJYFZSA-N 455.552 0.950 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1831418294 BIQDDQHOJCLOJE-CJAUYULYSA-N 485.537 0.720 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1831427835 VZKYDWOTRHNJDY-WAIKUNEKSA-N 458.515 0.716 30 20 JCED Cc1cccc(C)c1N1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1=O 1832545609 WGAQFQLNLSIBES-UQBPGWFLSA-N 483.521 0.201 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832920828 LHXYDISIEDDZEW-SBUREZEXSA-N 493.561 0.846 30 20 JCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1833147866 QXTQJAKTIPALPZ-UHFFFAOYSA-N 455.563 0.752 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4cncn4)C3)C2)c(O)n1 1833699785 LVGZWKGSIIMUPI-GAJHUEQPSA-N 470.530 0.829 30 20 JCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(S(C)(=O)=O)cn3)CC2)CC1 1833999986 PGPJBOOFIFZTAF-CQSZACIVSA-N 454.618 0.989 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1835100313 MGAKIXBAIYLXNM-FQEVSTJZSA-N 454.401 0.600 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c([N+](=O)[O-])cc1O 1835345279 INJDQHOYXOZGQZ-OAQYLSRUSA-N 460.443 0.683 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c(O)n1 1835408601 PIRISBGXDIZMBU-XMMPIXPASA-N 472.542 0.598 30 20 JCED C[C@@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1835532632 BUOYRATVJWQYKH-WJONJSRFSA-N 488.651 0.639 30 20 JCED Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835803173 BLYOYCULOPMBQC-PDEZOQIOSA-N 450.565 0.575 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835873774 BSYAFIPXTUAOMH-SZNDQCEHSA-N 461.544 0.935 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc(C)cn2)CCO3)c(C#N)c1 1836200400 QJZKQRLFGYESRF-XMMPIXPASA-N 467.526 0.771 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1837392065 ZFHOWUSIZQLTKS-YGKZAACZSA-N 469.579 0.929 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)on1 1837525460 WSMZJIVHJDBFNP-YHAFYQSGSA-N 450.492 0.511 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1837529582 VRVAHNWVETUYFS-UJKYDTKXSA-N 471.514 0.933 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1838629378 QGOJGEURLRWLRQ-RBUKOAKNSA-N 493.557 0.301 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c(O)c1 1838888763 JOSZQXDLKISXHG-RZZUAFPKSA-N 460.531 0.943 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)cc1 1838950825 HGCMLRAKOKPDFM-QHCPKHFHSA-N 462.466 0.690 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)N1CCN(C)CC1 1839104916 YTQMXGNOYACQOO-UUOWRZLLSA-N 490.004 0.918 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc(C)cn4)C3)C2)c(C#N)c1 1839131826 BELYQVYMTVPNIG-XMMPIXPASA-N 467.526 0.771 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)c(C#N)c1 1839132995 WLRPIVKDWSFNKZ-OAQYLSRUSA-N 499.442 0.671 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)ccc1F 1839187648 ORBYUQKTBQWAKR-QHCPKHFHSA-N 454.458 0.643 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191023 QKPHYTSLLWGOBJ-DHIUTWEWSA-N 465.547 0.540 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)cc(C(F)(F)F)c1 1839443540 NYEBCMDUPHZWFU-HRAATJIYSA-N 480.443 0.783 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)CCO2)C1 1839470548 UUBMIKYVASKLMZ-WAIKUNEKSA-N 491.497 0.720 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839723076 DCMIHPPHAOLWSE-YADARESESA-N 489.573 0.974 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4ccc(Br)cc4c3=O)C2)C1 1839810427 WZPXFKCXIONCRX-NRFANRHFSA-N 474.311 0.994 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)cc(OC)c4)C3)C2)CC1 1839897304 MKEOBBKJFYBMFG-JOCHJYFZSA-N 457.483 0.590 30 20 JCED CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840041114 RBLBMXLENHHPTI-QHCPKHFHSA-N 477.514 0.098 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)NC(=O)OC(C)(C)C 1840112050 XDIKKDDJKJEQBT-OPAMFIHVSA-N 482.534 0.203 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840142405 MEFSBVRNEOOSTH-UZINWLIJSA-N 488.581 0.897 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1840167743 KCCNPTGETVUNGU-XMMPIXPASA-N 456.543 0.792 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(OC)OC)C2)C1)c1ccc(O)cc1 1840220708 ZVMQNLYYPSVHQB-DVECYGJZSA-N 460.527 0.965 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1)c1ccc(O)cc1 1840221937 VHLVYHIKVUJGMK-NTKDMRAZSA-N 457.527 0.434 30 20 JCED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1840321049 DGZFYCIGVCTRCF-HXUWFJFHSA-N 450.879 0.638 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(CC)COC3)C2)C1 1840908852 ISNSOAZCDSUYEL-UUOWRZLLSA-N 479.574 0.786 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1 16557636 VLYPVWZJJJEOSN-UHFFFAOYSA-N 451.482 0.041 30 20 JCED CNS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1OC 16775968 PJQIGOFUGMLBGW-UHFFFAOYSA-N 478.552 0.622 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1 514303763 ILNJIHMWFOJACG-UHFFFAOYSA-N 484.506 0.648 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 514943045 GJJAIMNSJYVMRQ-UHFFFAOYSA-N 470.530 0.695 30 20 JCED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 590897590 DNVHHSKDLOIWCQ-CQSZACIVSA-N 473.551 0.776 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 608828708 JAVYUJTXOAYKIB-UHFFFAOYSA-N 482.587 0.417 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3csc(C)n3)c2=O)cn1 608884391 ZPNGVUCHNKRZCZ-UHFFFAOYSA-N 469.548 0.429 30 20 JCED CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c1=O 608912238 PTEVDEFZARJSKU-UHFFFAOYSA-N 452.536 0.979 30 20 JCED COCCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 730725125 QZIRJOCTSNVXBV-GFDWPABASA-N 492.583 0.989 30 20 JCED N#Cc1ccccc1OCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 748114146 FIDWYSTZGREESG-UHFFFAOYSA-N 468.491 0.885 30 20 JCED CN(C)S(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1314674518 UHUYYCPOVAALCQ-INIZCTEOSA-N 481.966 0.482 30 20 JCED COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1504541831 UIXUBUJMJADYPM-FQEVSTJZSA-N 470.530 0.876 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1555818445 ZUHKIFIMOBHCLP-GOSISDBHSA-N 459.576 0.524 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1613028554 MISVMVWOYRHVGS-RIFZZMRRSA-N 468.580 0.281 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1620177200 WJALZRJKYXFYOM-OAHLLOKOSA-N 485.492 0.871 30 20 JCED N#C[C@@H]1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCO1 1632583923 XNDTZVZFTHABKC-MRXNPFEDSA-N 454.936 0.704 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 1676810735 PWCCFMYAIGQBCH-UHFFFAOYSA-N 452.537 0.182 30 20 JCED C[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1693858896 RJNQDDWWIFSRCQ-QBPKDAKJSA-N 454.553 0.012 30 20 JCED CS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1698306556 JDHMSROTFSOLSN-SFHVURJKSA-N 457.560 0.468 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1710269350 URIBIAKZUCJCNF-OTWHNJEPSA-N 482.655 0.233 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1748209914 TVTVVIRERNMPEN-WMZOPIPTSA-N 458.544 0.593 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066666 DIDYFYOPGCOHLL-XMMPIXPASA-N 466.575 0.585 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO3)c1 1780172560 PYECRAREVRPFSW-FDDCHVKYSA-N 474.514 0.853 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C[C@@H]21 1783531687 RUKBSIRHWCIDPT-LCGDVEJUSA-N 468.510 0.559 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)c(I)c1)CCO2 1783563306 NDCQENIQJBYEGX-GOSISDBHSA-N 484.246 0.528 30 20 JCED COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1783666468 IUZSTWXMVNCRFQ-DEOSSOPVSA-N 475.542 0.837 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1783897065 HKHBWZCBPPEJTL-SXGZJXTBSA-N 493.648 0.463 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784396309 FXJJGMKQJHKBOE-YCRPNKLZSA-N 478.575 0.643 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C[C@@H]21 1784478197 WAEBLANJHYMLGK-MILMJNAHSA-N 481.590 0.933 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1)c1ccccc1 1786890834 HFZZRWCRFKQLLD-YFNVTMOMSA-N 454.571 0.756 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]32)c(C(F)(F)F)n1 1787198958 OITDOCDZZXKHFK-KSYCFECVSA-N 465.432 0.844 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1788659620 QUPXCPGKEJWPHV-KLNRZKPYSA-N 481.575 0.298 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccc(F)cc3)[C@H]2C1 1789695209 RWCYHPRFJZZNNV-BWOMAWGNSA-N 459.518 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789765292 DXOZYGIGDMITHA-MPNAQVEISA-N 458.559 0.226 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1789929580 AQFQBQVHNXLVMC-XSLAGTTESA-N 464.563 0.936 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1791286445 BSWCQEVIRZKEKD-PXXNVOBCSA-N 469.498 0.644 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1791542637 DSSAPDIBYCTFPH-MVBLQPKNSA-N 461.563 0.010 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(C)n(C)n1 1793132291 AZAHLTNQIKECCN-SHJAMOMRSA-N 473.574 0.777 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1793357688 XAGJYQZLWRYGCT-BOQPXBONSA-N 481.590 0.785 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CS(C)(=O)=O)c(C#N)c1 1793369888 UCZDEEFOZPAYRF-WMIGDMCZSA-N 463.556 0.380 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1793600003 OTHAQXJNOWIVBI-XLKGFZLASA-N 450.536 0.182 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC(=O)NCC)C3)c(O)n1 1794491248 WDGXVJINLBTVCI-GGXPGOJBSA-N 459.547 0.817 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(C(=O)OCC)ncn2c1 1795924370 FESLCBZXJUVFBD-SWFHQTGMSA-N 495.536 0.573 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1797784969 SVWJCWZHXBDPRG-BBIADKPPSA-N 451.527 0.560 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cc1 1797812167 YVFFAOZLEQYWDD-FJNFHRSHSA-N 493.582 0.751 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)CC2)CC1 1797897128 IZJKLFFOACWPQV-NUZGMZIFSA-N 458.559 0.436 30 20 JCED O=C1CSc2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)cc2N1 1800037451 DELCGNCEONTRCV-OCVBPOBGSA-N 489.554 0.858 30 20 JCED C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C 1800879074 VTWMUEDALGMIRQ-CMWLGVBASA-N 486.569 0.964 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@](C)(O)CC(=O)O)C3)N(C(=O)OC(C)(C)C)C1 1801103094 ABUHVKBPAQANIQ-NVHIMHAJSA-N 495.573 0.757 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1801287311 YIXCSUNUSSHQCX-NNNWTRQLSA-N 484.944 0.885 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 1804296485 MIGDHJYAJOOPTL-UAQUTRPGSA-N 492.573 0.939 30 20 JCED O=C(C#Cc1ccccc1)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1806621787 XCPSNDXFIPQNMD-RDGATRHJSA-N 450.539 0.426 30 20 JCED N#CC1(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[C@H]2c2cccnc2)CC1 1806858794 MYUGHKOZZGRKMR-RMJJICAUSA-N 496.593 0.571 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]2c2cccnc2)c(C#N)c1 1808167462 RVULLEMZMLFWHF-NSXLHWASSA-N 478.553 0.803 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1817316142 AMIBXDQXHXZMPY-QGZVFWFLSA-N 479.607 0.414 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824900322 IOBGGKLTBFJXPP-XGHYCODVSA-N 463.535 0.687 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COCCO)CC2 1828287125 XEKJBQZGCJOPQH-DZGCQCFKSA-N 466.560 0.981 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)O)C2)C1 1828494587 PLSNCFKGENKEGP-RCAXOHPUSA-N 484.553 0.678 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)CN)CCN2C(=O)OCc1ccccc1 1828946179 CSJPUSQOUKQPJZ-LDALOYHTSA-N 497.596 0.892 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN)C2)C1 1828988006 JNHVJJUMPFATLQ-DEOSSOPVSA-N 470.574 0.679 30 20 JCED CC[C@H](NC)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829003872 NYPQMDGNJARFGT-CYFREDJKSA-N 470.526 0.525 30 20 JCED N=C(N)SCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332397 JZRIZAWLUBBSQV-JOCHJYFZSA-N 487.538 0.153 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)[C@@H](O)C1 1829691453 LNEGKSLOIHVNCA-XFAGBWLFSA-N 492.573 0.364 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830467998 BVGKQLUAHIWLQW-HXOBKFHXSA-N 459.930 0.839 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C(=O)OC(C)(C)C)C3CC3)C2)C1 1831388637 VMTHXNBTXWZVPR-KOSHJBKYSA-N 479.574 0.881 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1831391898 GUDHQKBNKGPQHF-WAIKUNEKSA-N 456.499 0.164 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831437501 BWCVUGQXTVMEEF-JOCHJYFZSA-N 461.540 0.463 30 20 JCED Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1833039754 VHGRTZABABPYSE-UELCCTMMSA-N 463.535 0.485 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)CC2)CC1 1833467309 ORJILQYKDMEFAC-WOIUINJBSA-N 458.603 0.997 30 20 JCED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1833506081 OFNIUJCHUPJIER-HAXZGJKISA-N 463.491 0.084 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n(C)n1 1834165464 MBGIAQJERASFNL-HSZRJFAPSA-N 453.499 0.749 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834794147 VWTLBOPQCKQCKR-HNNXBMFYSA-N 457.535 0.194 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116330 FYLSEAXSEMDKTI-UHFFFAOYSA-N 498.646 0.493 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3nc4ncccn4n3)CC2)CC1 1835349051 QDEDPLWYFDAZTJ-PLNGDYQASA-N 466.546 0.168 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN)CCO2)C1)C(C)(C)S 1835555630 UBINLEGNTRJTGP-FOIQADDNSA-N 460.597 0.003 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1835716163 ZXOPOKWFFFLJBE-FHLIZLRMSA-N 479.647 0.934 30 20 JCED CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCCC#C[Si](C)(C)C)C3)C2)CC1 1836672356 JVKNEPFCRKAJDF-DEOSSOPVSA-N 478.710 0.741 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)c2C1 1836776256 OVTZSEYYRGUEPN-HSZRJFAPSA-N 488.545 0.617 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1836858874 BFBSQYWHLFUSIG-ROUUACIJSA-N 471.558 0.632 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1837305935 NIRCZHYDUXULEY-OPAMFIHVSA-N 478.571 0.677 30 20 JCED Cc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1F 1837488474 HMOSUAOGELIIJJ-HSZRJFAPSA-N 462.522 0.636 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1837490457 FNFRWMICNKNIHY-VWEIPLKFSA-N 459.587 0.482 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837531841 XUKWOSOUGQCLHW-XLKFECATSA-N 465.463 0.522 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1837605499 AZRXNBNTZGPVEP-HZUJVAHNSA-N 465.576 0.006 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1)N1CCN(C)CC1 1838598031 KWNFCUUXOLNIBG-KOSHJBKYSA-N 490.004 0.918 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1839109662 PIBIHVOSXLSEGF-HOIFWPIMSA-N 453.536 0.247 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4cncn4)C3)C2)c(C#N)c1 1839133390 NZRKHTMHHOSKOL-UZUQRXQVSA-N 468.514 0.418 30 20 JCED C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1839164273 LNEKQCZVDBRACA-VBKZILBWSA-N 479.331 0.525 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839387917 ZTCHWIPWFHZHJT-JPYJTQIMSA-N 492.504 0.610 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H]4OCC[C@H]4N(C(=O)OC(C)(C)C)C3)C2)C1 1839810569 DIVMEKSEAKRNTR-LUCIHVKJSA-N 477.558 0.491 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1839886966 SEDPSASJXNMVGI-IERDGZPVSA-N 491.532 0.930 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1840159127 XERVIFNVUQDMOC-CKJXQJPGSA-N 467.613 0.871 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1840159711 LCARCIPDQPJRFR-SXGZJXTBSA-N 460.597 0.003 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840171444 GVUXKGICBYZBOH-HTAPYJJXSA-N 453.536 0.655 30 20 JCED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840431583 LKOMINQSWQGBQW-RDPSFJRHSA-N 458.559 0.674 30 20 JCED CN1N=C(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CCC1=O 1840818726 UMOFGXMLHCRCHF-QHCPKHFHSA-N 469.498 0.002 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1840908524 MXHDSOZMHFCYIN-ZEBZWOGCSA-N 499.568 0.863 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)C1 1843992195 RFEQOOXGENAYFN-MRXNPFEDSA-N 472.546 0.884 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845107938 PKAOGKVRFCYCNI-SJORKVTESA-N 465.547 0.927 30 20 JCED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1)NC(=O)OC(C)(C)C 1846035228 ZUNXGCVWLFLAAI-GOSISDBHSA-N 468.595 0.336 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1nccn1)C2 1846366205 ZTGGPTOJCSGDLZ-INIZCTEOSA-N 491.549 0.287 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cc(C)c(O)nc2=O)C1 1846969246 CNFAUBIJRNBNPK-VOIUYBSRSA-N 487.557 0.930 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848128327 CZKABHWZEMSCCM-FZKCQIBNSA-N 463.535 0.646 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1848243723 WCKIWNOBJPTCOS-BZSNNMDCSA-N 456.499 0.807 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(C3CC3)c2=O)cc1 501171197 DZRQJAZYSKCBJG-OAHLLOKOSA-N 457.552 0.924 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnc3ccccc23)c1=O 517522138 PMBGVLDBALUQQY-UHFFFAOYSA-N 464.547 0.856 30 20 JCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 519946648 HHVTWVMKAWOOIC-UHFFFAOYSA-N 468.438 0.705 30 20 JCED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 589802254 VZMWSLBQAMTBHB-UHFFFAOYSA-N 476.511 0.805 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CCc2cccnc2)CC1 609038291 LMHJVRGXTXAQKO-UHFFFAOYSA-N 474.590 0.610 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC2)C[C@@H](C)O1 725766401 LJPKHFVTQHEKDO-DRSNIGMVSA-N 490.586 0.254 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 811833686 MVTIGBVKIXFKSZ-UHFFFAOYSA-N 450.494 0.797 30 20 JCED CCOC(=O)N[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 915682567 HYQVXCJLYWCPIL-SFHVURJKSA-N 463.560 0.602 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917761450 SBYKJINACZMIRQ-UHFFFAOYSA-N 456.616 0.938 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 918916140 XDEAHSLJAXOZCA-HNNXBMFYSA-N 450.517 0.643 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)C1 1507785416 OAMMIIJKJLKLDR-QWHCGFSZSA-N 478.369 0.519 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)N(C)C)CCCC1 1509954439 NVUSGGXNHKOMAE-IRXDYDNUSA-N 481.623 0.998 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC(=O)N1CCOCC1 1510201634 VUZGDHCTDPANIV-HNAYVOBHSA-N 453.569 0.267 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)CC(=O)N(C)C)cc3)CC2)c1C#N 1523175829 SXKKHNRPMDHEMB-UHFFFAOYSA-N 458.544 0.425 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CCO1 1618691099 UXJJPCQNRJXRRH-IBGZPJMESA-N 453.547 0.879 30 20 JCED N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1620348283 QTPNWHLXAXRSRY-MOPGFXCFSA-N 453.471 0.988 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1723951519 AJSUCWVRBJDDSV-VPWXQRGCSA-N 482.680 0.502 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CC4CCCC4)n3CCNS(C)(=O)=O)CC2)c1C#N 1725867559 JVECIVINJKSOQN-UHFFFAOYSA-N 475.623 0.800 30 20 JCED CCN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1728265645 YLYZAJVBIWAGMJ-DNVCBOLYSA-N 453.569 0.219 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740803875 WEYLQWJVKCQAJI-AWEZNQCLSA-N 467.987 0.881 30 20 JCED CN(C)CCN1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1747592159 ZMEVFBMPKZVCCF-IBGZPJMESA-N 467.578 0.928 30 20 JCED C[C@H]1C[C@@H](C)CN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C1 1762729796 SLHKJBDXMFHYQO-MHORFTMASA-N 453.613 0.985 30 20 JCED CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1777984009 ABMQMFWZOGZROY-KPSJGODXSA-N 453.540 0.476 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/N2CCCCC2)C3)CC1 1778754576 KZTWROBEQXPKCV-GRCSCBDFSA-N 497.662 0.644 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1778921846 VSTZOBPECZCUDP-UZUQRXQVSA-N 497.593 0.183 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1779069437 RKUUCZRSZLXSEA-REWPJTCUSA-N 457.483 0.425 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1cccnc1)C2 1779334092 OXJHVOVHMRYBHA-KHCICDEESA-N 458.559 0.898 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781116015 YXIYHGVFJVUEME-ZHSNQQFMSA-N 482.578 0.845 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781200869 XYNVAIWVMFPNCE-HTAPYJJXSA-N 455.552 0.949 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c(Cl)c1 1781968850 TZHQPFADFVPREU-JOCHJYFZSA-N 456.886 0.970 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)[C@@H](O)C1 1783478674 OWRPHBQVVAVQCD-VMXHOPILSA-N 476.574 0.888 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1cccnc1 1783557363 FVJJYCWBHFWRTI-WMZHIEFXSA-N 472.498 0.565 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CN(Cc3ccco3)C(=O)OCC)C2)C1 1784302332 GXRZEQLBVALZKK-IBLIISRWSA-N 488.541 0.926 30 20 JCED CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(CC#N)cc4)C[C@@H]32)CC1 1786730355 GJLCLMGYVXAQCJ-VABKMULXSA-N 453.587 0.983 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1)NC(=O)OC(C)(C)C 1786901424 XESGIRXYCXDHIX-FKSLSLAPSA-N 496.605 0.888 30 20 JCED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1)C(=O)O 1787198772 ABRHLLNVEHZZIH-DDWPSWQVSA-N 483.447 0.628 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)N4CCOCC4)[C@H]3C2)cc1 1788644811 DVAUDSPCCJJIIJ-IBPRQYQWSA-N 456.543 0.121 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)n1 1788731211 GDHMNIUKUKMOTI-PFCOPWGTSA-N 472.590 0.738 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789708867 INYVZEBNBIYIAA-WDSOQIARSA-N 476.599 0.854 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792148409 DCZZVJSAJKKIJN-DXKRWKNPSA-N 494.552 0.387 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N(C)C(C)=O)C[C@@H]21 1792257790 MAZHAYZTIXDJFE-XCZFOBESSA-N 478.590 0.750 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cn1 1794442336 TWCKNOZVDKDGTP-HRQSHJORSA-N 458.559 0.695 30 20 JCED COc1cccc(-c2ccc3c(C(=O)N[C@@H]4[C@H]5COC[C@@H]4CN(C(=O)C#CC(=O)O)C5)ncn3n2)c1 1795969165 NTQMYYAOWSUHHT-GPVSGQMNSA-N 489.488 0.696 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)ccc21 1796982989 YLMKCEXSSBHXLK-PIACKPHESA-N 485.541 0.609 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)C1 1797122109 ZTHSWKXADALTCD-APAFKAMOSA-N 476.574 0.888 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccc2c(c1)CNC2=O 1797549572 AECSOBVCEKEHGK-IJOAMSGDSA-N 456.499 0.662 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H]1ON=C(c2ccccc2)O1 1797643270 LJGTZFWOFCJFEO-LIOOABDWSA-N 472.498 0.840 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797785245 YYIQWGYIQZAUDV-VQQMMKBISA-N 493.601 0.550 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1797812571 VYFMHJWDCUOJLD-DOMYYKBESA-N 472.498 0.840 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)n1 1797909147 VMFWDMBCLFXRCO-IZZQQSIFSA-N 458.563 0.158 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799196278 OQUYHBVLXNBOQF-TWHPPBISSA-N 481.590 0.787 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2)C(C)(C)S 1800907087 YSOCOPUFLCQGHZ-DMHIMHRUSA-N 498.646 0.704 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801050782 HWNMMUDZOQGNDB-QGLBADPUSA-N 467.563 0.539 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1803549487 YZZRNWNZIPQCCF-JZWVFAODSA-N 455.559 0.290 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c(C#N)c1 1804190213 JRDSEGKZNPYAEU-HOYKHHGWSA-N 490.520 0.762 30 20 JCED Cc1cn2c(=O)c(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)cnc2s1 1809398730 XLRMIMSTFOQYLC-BEFAXECRSA-N 465.491 0.867 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1811797289 WQIRJPBTWUMMSV-GMAHTHKFSA-N 451.527 0.559 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)CCOC1 1812881398 ZVKHLSOSOFRYIY-GERBCZOESA-N 486.525 0.859 30 20 JCED C#CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)[nH]n1 1815200241 NRNWSXAJHIZMQM-RDJZCZTQSA-N 451.549 0.866 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1815785646 WVDKVKFNMOPLNH-DYEKYZERSA-N 478.527 0.513 30 20 JCED N#CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)n[nH]1 1821780984 UPOFCFMMJFPXLM-NWANDNLSSA-N 459.532 0.496 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](COC)NC(C)=O)CC2 1822928381 UYMBACWAGZRBIP-DZGCQCFKSA-N 452.533 0.716 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1823038252 MWFYXFSQDWOTLJ-VXGBXAGGSA-N 466.516 0.419 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCN2C(=O)OCc1ccccc1 1828968074 WPRWJYAIWYMRFM-YADARESESA-N 484.557 0.335 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1829465862 CXNCIJLMCDGEHQ-SANMLTNESA-N 492.532 0.777 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCCCn3cccc3)C2)C1 1829770122 DWRCAUHFQAKOEQ-HMLKYZKVSA-N 458.559 0.973 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@@H](C(=O)OC)C3)C2)C1 1829773068 AAQSTYPAZCQUAF-YPUAJCPCSA-N 477.558 0.281 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1829773736 SEJHMKBLIVLDMO-XLQQFJOYSA-N 492.573 0.170 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)Cc5ccc(C#N)cc5)CCO4)C3)cc2C1 1829906122 UUCKFIJGUAJJCL-AREMUKBSSA-N 492.580 0.903 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)C(=O)O 1830467082 SFBASXILOZFTIK-XMSQKQJNSA-N 463.918 0.211 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CC)CCO2)C1 1830531583 QQIHZVQNJDXIHO-YVHKJVDXSA-N 455.552 0.683 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)c1ncc(Br)cn1)CCO2 1830940969 HARGFYLMQZYDPM-IBGZPJMESA-N 451.321 0.606 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831209532 NFUAXDNFASUWMY-DEOSSOPVSA-N 454.527 0.402 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1831402387 XMJXBNHESCJPPN-RAKGEHAVSA-N 491.585 0.594 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1831425460 ACWYREPEEVYFRJ-UUOWRZLLSA-N 470.526 0.664 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833466511 GXFBJOMPKRLSCX-WIYYLYMNSA-N 494.633 0.872 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C(=O)O)ncn4)CCO3)C2)c(O)n1 1833490899 FLPZWJZOKWOVOV-XMMPIXPASA-N 497.508 0.778 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1833865190 SJZUIPZHEHZEKK-QHCPKHFHSA-N 471.489 0.752 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCC#N)CCO3)cc1 1835362733 UGWGIEROOUHVOF-XMMPIXPASA-N 472.542 0.852 30 20 JCED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1835680800 OUXVYTBAMJQUBS-GOSISDBHSA-N 468.562 0.766 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731939 VBTNYARRVBHDRP-KCOUNZPASA-N 464.611 0.181 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1)[C@@H](O)N1CCOCC1 1835762029 CBJLBXWABKUCSN-RUZDIDTESA-N 454.571 0.260 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1836881321 SCLBPDGJAQYQQL-QGZVFWFLSA-N 451.526 0.664 30 20 JCED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1837070517 JXJOLQRHPDBVMF-UHFFFAOYSA-N 461.548 0.344 30 20 JCED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)ccc1F 1837116639 LRVFAXBCJPQADD-FQEVSTJZSA-N 485.516 0.837 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(C)cc(C(N)=O)cc1C)CCO2 1837437383 VNVLHXHXGXTNIY-RUZDIDTESA-N 487.553 0.982 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1837533633 YAGRXUXTLVFBHT-NEQAHEGBSA-N 453.536 0.789 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564513 TZORBIRDQDIDDB-PYRKTDDNSA-N 456.503 0.446 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c1 1837882217 PTJNTZNOLPQWFO-OAQYLSRUSA-N 471.558 0.772 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)c1 1837882927 QXTVRUARMSSHSV-FQEVSTJZSA-N 459.522 0.902 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1838471571 RCXMLTUOIDILDH-AOMKIAJQSA-N 474.518 0.202 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)CN(CCO)CCO)CC4)CC3)c2c1 1838696732 YISQFRFBJYPWHS-UHFFFAOYSA-N 498.584 0.333 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839072806 SCENBRRLABMNGO-HSZRJFAPSA-N 481.594 0.638 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)c1ccc(O)cc1)CCO2 1839167533 XDFXTNOYCARHKW-FTVUIBSFSA-N 457.527 0.811 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1839173968 YFDOGDKXXZLJLJ-HSZRJFAPSA-N 456.499 0.914 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839216697 JYIFTQDLRAMJAO-MBSDFSHPSA-N 456.499 0.014 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C3)C2)c1 1839453652 WHBVNIRTGNOYHO-YADARESESA-N 488.541 0.780 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CC4)CCO2)C1 1839608533 JXEPHUTYTKTQFE-RUZDIDTESA-N 483.569 0.923 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)[S@](=O)c1ccccc1)CCO2 1839671036 NEQTXGBWVMDLJG-SYVRJULOSA-N 489.594 0.498 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719839 QQCJHSOLUFMECC-FDDCHVKYSA-N 477.562 0.878 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043671 NSFFLESMMSMDCE-HXOBKFHXSA-N 479.530 0.390 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1840169352 ZIPIPHDSLCVPTL-QHCPKHFHSA-N 469.498 0.552 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOCCOC)C2)C1 1840170156 NBOZNUKKYLMVRM-XMMPIXPASA-N 484.590 0.333 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CSCC(=O)O)CCO3)c1 1840190270 NMGSTAMHEJFBEA-QFIPXVFZSA-N 461.540 0.765 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1)c1ccc(O)cc1 1840219770 DIBOZDSOPQSAFR-OWHZGTRUSA-N 469.538 0.624 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840422411 XKFLZTWOGJVYHR-STSQHVNTSA-N 490.561 0.212 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@@H]4NC(=O)NC4=O)C3)C2)cc1C#N 1840762641 HGNIXGQYMODJLV-MHECFPHRSA-N 499.524 0.014 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840856306 KWXHBLSCTQVOIR-YKSBVNFPSA-N 474.533 0.879 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)CCO2 1840881795 OCTKJINEYZSPJK-GSRZOBFVSA-N 479.574 0.784 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1840906840 KOXIOSNNVCUHMF-GAJHUEQPSA-N 475.546 0.407 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1841746619 VDUMJGYXRLFQSD-AWEZNQCLSA-N 471.518 0.704 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841849388 XHLFKFQNFJBHKA-JLCFBVMHSA-N 461.519 0.211 30 20 JCED N#CC1(C(=O)N2CCCC23CN(C(=O)c2ncn4c2CNS(=O)(=O)c2ccccc2-4)C3)CC1 1842808661 WOIXRTHQTZTFBU-UHFFFAOYSA-N 466.523 0.785 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1845187198 HKEKBQHFAORCRH-INIZCTEOSA-N 453.536 0.975 30 20 JCED C[C@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845875245 GFSRFFOIWNTYQJ-DEOSSOPVSA-N 462.506 0.691 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1 1846000781 BRLBQVKPWURBLF-CVEARBPZSA-N 493.561 0.131 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(-c2ccc3c(c2)OCCO3)c1=O 502044025 NJOWIVRAWNARFS-UHFFFAOYSA-N 486.513 0.940 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCNS(C)(=O)=O 589161383 SBXVVDNGJXQDAM-UHFFFAOYSA-N 451.545 0.716 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(NC(C)=O)c1 603495359 FCWMKHPOEATCJV-OAHLLOKOSA-N 477.546 0.907 30 20 JCED N#Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 608793617 LSUNVRGEKPETCZ-CTNGQTDRSA-N 499.549 0.935 30 20 JCED C=CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 642721156 HZVPGMSQJQWLRS-UHFFFAOYSA-N 451.423 0.889 30 20 JCED COc1cccc([C@H](C#N)NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1OC 729428213 AYJDQYSAWWFZOL-KRWDZBQOSA-N 458.496 0.819 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)CC1 729533481 LSVFGVQEXIYJPP-UHFFFAOYSA-N 494.409 0.599 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1CCOC 731352839 SUSXOGTUGULOPC-UHFFFAOYSA-N 452.536 0.760 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)c(F)c2)c1=O 742530817 GOHWPRWQUHFGCA-UHFFFAOYSA-N 494.976 0.300 30 20 JCED CN(C)C(=O)CN1C(=O)C(=NNC(=S)NCCN2CCOCC2)c2cc(Br)ccc21 750919109 WAXRQDULOPMTPR-UHFFFAOYSA-N 497.419 0.384 30 20 JCED C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 752320921 KZMNAICVYRSHBB-OAQYLSRUSA-N 455.496 0.811 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C(N)=O)cc2)c1 918263812 MDDAJBZMBRCUPX-BWAHOGKJSA-N 457.512 0.853 30 20 JCED CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 918475704 BHXGVFMWPCGIQS-UHFFFAOYSA-N 458.500 0.422 30 20 JCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(=O)N(C)C)c1=O 918729542 MEUGTMFHNSQLNV-UHFFFAOYSA-N 460.943 0.442 30 20 JCED C[C@H](CC(=O)NC1CCN(CCS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1293023563 SRHLXKCBWRFPGH-CQSZACIVSA-N 456.590 0.129 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)NC2CC2)C1 1303940064 RRRBLDFEFDXRJX-DYESRHJHSA-N 479.607 0.800 30 20 JCED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 1503679541 QXJMWWXFVDJPQA-XMSQKQJNSA-N 473.603 0.649 30 20 JCED N#Cc1cn(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(=O)nc1O 1540743607 TZVZDPOXARUSNU-UHFFFAOYSA-N 451.892 0.397 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCCCC2)C1 1620171055 RMGCHJVLWDIQFB-FXAWDEMLSA-N 469.587 0.929 30 20 JCED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1623278018 NLPRLRFTJODIAA-CABCVRRESA-N 456.546 0.644 30 20 JCED CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1741372125 XCZZQDCGPBLQMM-KRWDZBQOSA-N 453.638 0.957 30 20 JCED CC(C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1760820851 VXBXWOAHXOCXKB-OALUTQOASA-N 490.586 0.831 30 20 JCED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1763035323 LULBFSOITQYBCM-MRXNPFEDSA-N 489.627 0.862 30 20 JCED CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cn1 1764931646 VERGFYLZVIOMFL-WBVHZDCISA-N 462.580 0.907 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc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c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1782667733 DMOSKNYZXCTPRV-DFBJGRDBSA-N 468.554 0.728 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1783131652 DJBAYYHJTODGMS-ZJSXRUAMSA-N 456.543 0.783 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccoc1I)CCO2 1783562175 GQYWVRMIMKUXPT-MRXNPFEDSA-N 458.208 0.416 30 20 JCED CN(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783778507 VAGDWYALQVLSLB-IERDGZPVSA-N 458.625 0.980 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783932704 AGWTWLFNFWLOJC-PBNUPURSSA-N 481.546 0.349 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785517086 PXYUDWXJYIHAOH-OBWXTZQISA-N 497.589 0.846 30 20 JCED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785669569 MLCBQDFVGMXWHS-QFIPXVFZSA-N 450.536 0.472 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOCC4)[C@H]3C2)c(C(F)(F)F)n1 1786723105 VZPFEQITNNCLKQ-WBAXXEDZSA-N 481.475 0.898 30 20 JCED O=C(CNC(=O)c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787082373 UPTIZWPYSUORHT-URZVVSFKSA-N 462.503 0.518 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3ON=C(c4ccccc4)O3)[C@H]2C1 1788520702 SHGTVUPIELXSMG-ZVVDCOBXSA-N 469.542 0.983 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)C4)C[C@@H]21 1790792407 AZBNXFOZLLCBSW-BQFCYCMXSA-N 457.531 0.860 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C[C@@H]21 1791260578 NLJLYRZPAMNHNG-XAJHFOFHSA-N 457.593 0.920 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C[C@@H]21 1791278806 LNUBNJJANPIVPU-NXOAAHMSSA-N 453.536 0.999 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)[C@H]2C1 1792343781 LUTPVNAPYMVUDO-JAZQRGJZSA-N 479.574 0.640 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCCCO)cc1)C2 1792489760 PZQAOVCQYXDCMM-YTRCMYEKSA-N 457.527 0.509 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)C1 1792812140 JNLOFLMAAZZRIK-XEMDLRDOSA-N 454.527 0.907 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 1793340302 RNAUIQQSMQHXIR-AKHDSKFASA-N 479.574 0.376 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H]1CC(=O)N(C2CCCC2)C1 1793777557 WSJJUSVBRAYNET-ZGVIVGPFSA-N 476.574 0.896 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)n1 1797812690 YRWBTVBWIWQYSK-NWLQOIJNSA-N 477.474 0.731 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCNC(=O)c2ccc[nH]2)C3)c1 1798573762 LCFSGNWKEYDICD-OPMZPASUSA-N 465.510 0.918 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2cccnc2)C3)c1 1798573836 SFQDMUZQQALIGZ-HATOLVCRSA-N 463.494 0.595 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799196115 GQWUFHZVWJNCKX-IHEQNBGGSA-N 495.573 0.313 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-] 1799822352 CSNVZERZGYSDEV-JNNRSPCRSA-N 459.455 0.623 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2)c1ccc(O)cc1 1801054234 SRBDIVAOIHOUJQ-PHTMTLDSSA-N 457.527 0.542 30 20 JCED Cc1nn2cc(CC(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)nc2s1 1803968112 RMDRHVGAOFISHE-FOIQADDNSA-N 452.496 0.831 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804094503 GAZOZYMUENDCIG-MBSDFSHPSA-N 476.493 0.590 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1804301659 HTCOKDQNQWWUCN-UMPJEAMMSA-N 451.476 0.169 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCC3(CCCN(C(=O)C#CC4CC4)C3)CC2)N1 1805890297 HUCIMHUSFWXLQO-RBUKOAKNSA-N 472.611 0.811 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)[C@H]1c1cccnc1 1808393837 SBPOFSMQUSGJMF-TWPTVVAISA-N 457.556 0.928 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)nc3sccn23)[C@@H]1c1cccnc1 1811268072 YBLQSEGGWPEVEZ-LIRRHRJNSA-N 451.464 0.559 30 20 JCED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1815797092 FLGLOIAVNNKZLA-GDBMZVCRSA-N 498.544 0.440 30 20 JCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3n[nH]cc3I)sc2C1 1820524564 RRQRMHGHXIJBQT-ZETCQYMHSA-N 485.263 0.785 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](COC)NC(C)=O)CC2 1822928392 UYMBACWAGZRBIP-UKRRQHHQSA-N 452.533 0.716 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)CC1 1823744677 ZWRJCUSBANCNQM-RURPWVQCSA-N 489.598 0.930 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824974480 GQHMMWAQVJXDHL-DQZIINAFSA-N 498.646 0.866 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCNC3=N)C2)C1 1828922939 GRWZVEDTKRXBPX-DEOSSOPVSA-N 481.557 0.582 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1829266714 FJVIACUCPYCGMK-YADARESESA-N 464.526 1.000 30 20 JCED CC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3(C#N)CC3)C2)C1 1829301755 WGVFPXYGWITLDH-XMMPIXPASA-N 467.526 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)c(F)c3)C2)C1 1829773147 CATCPJPPBITORT-POUSAUBHSA-N 475.517 0.692 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830060597 PSUHVGWGCDVMSY-QMHKHESXSA-N 460.506 0.950 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830469674 DKWJGRBSMLBGPA-WMZHIEFXSA-N 459.930 0.769 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2)C1 1831319151 NMFDPOGFLVOEEZ-DYESRHJHSA-N 459.609 0.763 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1831391813 WLZKQFZRPPOEJO-WZONZLPQSA-N 453.499 0.376 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])C2)C1 1831397223 PSBOWPJXGBFSNC-UZUQRXQVSA-N 474.514 0.769 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1831406185 YRXRZNQFJFWBSS-QFIPXVFZSA-N 481.571 0.538 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1831485588 XJDAKIBQNJUZIS-YLJYHZDGSA-N 471.601 0.510 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831742428 UBTYASUQRSOIBT-MWTRTKDXSA-N 489.529 0.169 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1831997642 DRWHOYJYWDRVST-ZMPRRUGASA-N 482.534 0.021 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832497217 LUTLUGFSFXHYKA-FZZUMWNJSA-N 472.542 0.755 30 20 JCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c(F)c1 1833631801 BEJGEZWSXPKUCN-IQCWKEAXSA-N 480.493 0.828 30 20 JCED CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCOC1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834760318 JLVWPILOBFWTBB-IXFSTUDKSA-N 480.562 0.676 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc(C(=O)OC)nc3)CC2)CC1 1835165480 AWXWGYQNJISICV-SREVYHEPSA-N 483.569 0.912 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835365768 UVWRNDRZMYNMBX-FQEVSTJZSA-N 454.499 0.706 30 20 JCED COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835673940 BWSOMVVUFDDPEM-DEOSSOPVSA-N 458.559 0.976 30 20 JCED COc1ncccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675623 ZUKQQQNLFKPVOE-DEOSSOPVSA-N 473.574 0.761 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1835677088 IDLHVPFPVSWISC-QFIPXVFZSA-N 455.519 0.081 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1cccnc1)CCO2 1835680290 GQRPNDANDXTTRD-KGPYNAKISA-N 457.531 0.197 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835780058 JXHJRCCHUBSGTL-BTVXTAIASA-N 463.535 0.335 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1835795524 XEAJBWMVVCQDPF-ROUUACIJSA-N 472.590 0.758 30 20 JCED Cn1nc(C(F)(F)F)cc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835968658 JEVMNMATMJCIOS-UHFFFAOYSA-N 455.437 0.712 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CC2)CC1 1836859848 GVGNZCFMQLKEGT-VGOFRKELSA-N 473.574 0.494 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1837492142 BJEYNRPAXKDZOV-YIXXDRMTSA-N 494.592 0.908 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837499183 FCZXEWQYDRSFEI-OFNKIYASSA-N 473.482 0.123 30 20 JCED Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525720 YUZLTUVKZUINBG-UELCCTMMSA-N 464.519 0.819 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1837526722 VEKJAKDEXIRBHK-VVVDXXIMSA-N 451.476 0.298 30 20 JCED Cc1nccn1CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837532199 ADUITMLCIUAQAV-FLFXYHILSA-N 477.562 0.957 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccccc1=O 1837564424 NGVHAWXKWYYXEA-SBRVNECPSA-N 456.499 0.578 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837565298 RIEARFVAOJBCCA-GVFUYMABSA-N 481.546 0.225 30 20 JCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)c4cc5n(n4)CCNC5=O)CC3)CC2)CCC1 1837581659 SRXUEFVBDGCCJV-UHFFFAOYSA-N 454.531 0.933 30 20 JCED O=C(C#Cc1ccccc1)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837728571 FLKQZOJRKWKIMT-UHFFFAOYSA-N 463.471 0.762 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn2[nH]cnc(=O)c12 1838471092 LDMDUOXTBVIHBS-DEXVNCAESA-N 482.497 0.113 30 20 JCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC2)CC1 1838744421 NJHYCDYNDUFZPQ-LJQANCHMSA-N 499.630 0.946 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839132026 NUUFDOJPVISEKL-JXSPYEIYSA-N 471.510 0.685 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1839175236 WJKKKACXLHOUFQ-JOCHJYFZSA-N 457.487 0.309 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839204472 RIQQCXMHAULHHJ-HXOBKFHXSA-N 480.562 0.412 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839422472 WJJWVQLMUDEUPG-VXKWHMMOSA-N 463.462 0.383 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN(Cc1ccccc1)c1ccn(C)n1)CCO2 1839724780 UFLSITSJDHXNET-RUZDIDTESA-N 465.554 0.906 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839774350 UOQIABZIYMZDPW-HSZRJFAPSA-N 478.590 0.658 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C1CC1 1840039743 GTBXRWPDDUFFJQ-HXOBKFHXSA-N 479.530 0.224 30 20 JCED CC(=O)c1ccc(OCCCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840040109 OGPQUSLRQSLVER-XMMPIXPASA-N 472.494 0.593 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043881 ZNLQZTLPLPYABY-UUOWRZLLSA-N 487.509 0.093 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1840089230 OQAIEUKIWJOMID-QZMQVMSPSA-N 469.579 0.929 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1840293848 YLUPKTDDGGXNTM-DENIHFKCSA-N 452.504 0.131 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)no3)C2)C1 1840906705 HPWUGOWRXWUPLX-DVECYGJZSA-N 490.557 0.899 30 20 JCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)c(C#N)c1 1841894551 OHQLFLWNHQSTBD-UHFFFAOYSA-N 460.556 0.043 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ncn3c2CNS(=O)(=O)c2ccccc2-3)C1 1844623450 SJQOLJSGIQIGIM-INIZCTEOSA-N 483.550 0.520 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)COCCOCCOCCOC)C1 1846257156 JUYAJRGZUGWSMS-UHFFFAOYSA-N 456.536 0.395 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1nc[nH]n1)C2 1846366160 UTPUJNZUHAQKLN-AWEZNQCLSA-N 477.522 0.427 30 20 JCED CN1CCN(c2cc(CNC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccn2)CC1 499599124 ICXZHYWMWSHXIT-UHFFFAOYSA-N 483.598 0.921 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)cc1 502039923 DKGBWWYHSIAZSE-UHFFFAOYSA-N 457.943 0.942 30 20 JCED COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 516096013 GQTQXWJDHIAWBB-MRXNPFEDSA-N 486.554 0.554 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 518729957 IQBDZYDABUBGTB-UHFFFAOYSA-N 456.480 0.801 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 523734003 KMCCWRZVLTXJPA-UHFFFAOYSA-N 482.606 0.548 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(CCC#N)CCN2CCOCC2)cc1 584366416 JQCJEZGSQLQASP-UHFFFAOYSA-N 451.549 0.388 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(SC)cc2)c1=O 603796277 CIVDQRSLTCBNLB-UHFFFAOYSA-N 472.636 0.993 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1-c1ccc(OC)nc1 608884356 XXRNNRFULIBDIJ-UHFFFAOYSA-N 492.513 0.845 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(N)=O 608911171 OKKQPBWHSFBGDL-UHFFFAOYSA-N 470.576 0.656 30 20 JCED COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)C1 609342081 MRESNJKQKKPNHC-INIZCTEOSA-N 491.570 0.303 30 20 JCED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 677814553 MDPQLLZSZUFYDF-CQSZACIVSA-N 461.592 0.836 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1=O 726044047 ZTFLEMHULKDDDQ-INIZCTEOSA-N 456.499 0.676 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 891292888 CVXLYPUPNUSFBT-ZDUSSCGKSA-N 455.489 0.460 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914668373 QPVORVBFZDNRRF-VLIAUNLRSA-N 450.517 0.407 30 20 JCED CC(=NNc1ccc(S(=O)(=O)NC(C)C)cn1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 914701281 GGVINMAMGCBEKQ-UHFFFAOYSA-N 469.545 0.967 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 915903069 VBLSFHHLTCIVIF-JZJYNLBNSA-N 472.570 0.948 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1303461378 WAHWVNRGBDYNRL-KBMIEXCESA-N 497.600 0.915 30 20 JCED CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1547968040 RXTJBGDNCSHZPE-RBUKOAKNSA-N 476.559 0.787 30 20 JCED COCCN(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1619875148 NXFWFLHOZHNIHW-SFHVURJKSA-N 469.612 0.319 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1706656474 SVLAKVNUBJEENJ-GOSISDBHSA-N 472.575 0.701 30 20 JCED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC(=O)N1C 1708175814 MXDGPJVRTPRRBX-OAHLLOKOSA-N 458.544 0.423 30 20 JCED CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)S(C)(=O)=O 1710140239 UOKVUGRYTUOBML-UHFFFAOYSA-N 489.602 0.783 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1778787432 ZARZAWFTWWNVNX-OXJNMPFZSA-N 450.879 0.720 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)nc3cccnn13)C2 1779423255 JRFKILPBIBBNLF-XHPZRIKISA-N 498.540 0.746 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780126108 NUMFEYHSLHXUPT-BUKPSGGLSA-N 487.557 0.814 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1781296071 QRRQLYYEVSPEQP-VGSWGCGISA-N 452.552 0.812 30 20 JCED COC(=O)N(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)Cc1ccccc1 1782015270 DMJSKFYFGIDRRR-NTKDMRAZSA-N 471.510 0.857 30 20 JCED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)CCC1 1783124780 MDQRKKMBULWOGD-IIBYNOLFSA-N 461.544 0.659 30 20 JCED CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)c2C1 1783561401 PYXGDFDTDVRFJG-JOCHJYFZSA-N 473.486 0.192 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783779961 OPFHFQQQLGGJKW-PGKMIFDNSA-N 486.635 0.930 30 20 JCED CCN1CCN(c2ccc(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2)CC1 1785236583 GHFJAYQJTROOAK-DEOSSOPVSA-N 454.527 0.360 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1785452551 PTGCYXVHYWABKQ-GUHNSWKSSA-N 486.544 0.561 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC)[C@H]2C1 1786973783 PLIMTCSGMNASJL-FKSLSLAPSA-N 450.580 0.881 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nnc4cc(C)nn4c3C)C[C@@H]21 1788574590 DHLCGDBGNFTCFB-XSLAGTTESA-N 456.547 0.908 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)no3)[C@H]2C1 1788978421 RWXBGLJLLPHEEE-JKQORVJESA-N 462.503 0.890 30 20 JCED CCC[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072879 GTQADYDIXXQFGR-MUGJNUQGSA-N 455.511 0.653 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)[C@H]2C1 1791164669 JCINHKNLESTIRW-WBAXXEDZSA-N 453.948 0.621 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)COc5ccccc5C#N)[C@H]4C3)CC2)CC1 1792147164 IRARLRMTJTUCRW-FUDKSRODSA-N 481.597 0.697 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2csc4c2c(=O)n(C)c(=O)n4C)C3)C1 1792441363 CLNARDZWWXKCEN-HGKCTWBKSA-N 472.567 0.397 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792636471 YNTJZMOPUMTNPR-TURABVPUSA-N 464.563 0.886 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)c1 1792828615 OQGBMMYASXEKJM-OPMZPASUSA-N 452.471 0.885 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1793593524 MDTKHYLQVATJMP-CYGHRXIMSA-N 487.557 0.853 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794001225 QJJJDNCKPLMBBO-HIRMHNASSA-N 492.533 0.850 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O)c1ccc(O)cc1 1795521956 GDLBXNNMOVRYKY-QSNWEANLSA-N 479.470 0.204 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)C3)c1 1798690625 GOFTUQIWKQTMSS-FLTUCWPJSA-N 452.471 0.096 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2 1799156135 FAHUWOFOFOIYPH-BDEKUHOQSA-N 479.574 0.946 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)C1 1799199332 YFLZMRWZBXQAEN-HVJVJISESA-N 483.565 0.856 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2 1799233213 NHPQIZABAFWLAN-ZMMAXQRCSA-N 480.562 0.629 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)C2)CC1 1800526177 VRQQRQRMCGVIMR-BMFAXAFESA-N 489.573 0.253 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C2 1800990115 ZLGPSHUEZBEXCX-QZLJAVCYSA-N 467.592 0.753 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1800992264 CCMUINNMHIEFBB-KYHREEPGSA-N 463.575 0.997 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801052137 ZZKQJUXXVSHVCG-KBVWPGPTSA-N 481.590 0.931 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)c1 1801764972 GSEVLQWSGWSQEY-JYISGYRJSA-N 450.495 0.832 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802088174 VOKUUJNZWOSHBC-NBMJBFSESA-N 465.547 0.836 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)CC1 1809599338 LBNUAZHQPXYLKI-NABFQKGHSA-N 455.607 0.807 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)[C@@H]3c3cccnc3)c2c1 1812071560 PKIOXTOYULIWMZ-MBXLBGHASA-N 459.510 0.872 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2n[nH]cc2I)[C@H]1c1cccnc1 1812881606 XCCQVBJFMULVBX-PXAZEXFGSA-N 493.261 0.817 30 20 JCED O=C(CNCP(=O)(O)O)Nc1nc2c(s1)C[C@@H](NC(=O)C/N=C/c1ccco1)CC2 1814768376 XMIXAZAEPKUVMB-TUVHXFJTSA-N 455.433 0.492 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)n[nH]1 1817682346 ADMYFUQCLUAIDR-BLLLJJGKSA-N 460.516 0.905 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]cc1I)CC2 1825667186 OAMXSCQDZZMYGP-ZETCQYMHSA-N 485.263 0.785 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828572731 XUJIRJGOMYZAIH-LVXARBLLSA-N 495.580 0.445 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)Cn4cnnn4)C3)C2)CC1 1828921028 JBSXWUMURGTEFA-HSZRJFAPSA-N 478.513 0.429 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc(C)c(O)nc1=O)CCN2C(=O)OCc1ccccc1 1829451089 AYOMLUNOPKJSFA-VWLOTQADSA-N 493.520 0.343 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1829764687 SQMRSZDQVQYERT-LXHZQTKUSA-N 461.519 0.050 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1829770473 SKRIMKAHYWGGFN-YOXWTLATSA-N 466.897 0.803 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CSCSC3)C2)C1 1829770516 VDMAXHPBIYGGBQ-SVYHKQQMSA-N 484.644 0.344 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1831387290 MQLDBYBHNUUFRW-CJAUYULYSA-N 483.521 0.167 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(Cc3ccco3)C(=O)OCC)C2)C1 1831402470 IDHCSACBWLRIFS-CYFREDJKSA-N 491.541 0.733 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1831406173 XWLYBBBWWGTVOG-QGZVFWFLSA-N 470.416 0.781 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831999200 XOPHKIVJXLSJGA-JTSKRJEESA-N 478.550 0.204 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1 1832026825 LBJWDPPVYSLGBS-IQGLISFBSA-N 480.521 0.699 30 20 JCED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1833289268 FDAHTHDAECSUME-UHFFFAOYSA-N 468.562 0.766 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCc4ccccc4[C@@H]3O)CC2)CC1 1833332097 ARSKEMMQERGTOG-URXFXBBRSA-N 453.539 0.942 30 20 JCED COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1F 1833484543 OMUZYDYVWPIXCG-WGBQGACBSA-N 463.510 0.771 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cnc(OCF)cn5)CCO4)C3)c2c1 1833573147 UOISDEXNMWTUIG-QHCPKHFHSA-N 495.471 0.914 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)[C@H]1SC(=N)NC1=O 1835099676 QRXJZKVPFCGYMO-XKDCRVNJSA-N 470.551 0.297 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835390370 SJTILMGPLDDULB-JPYJTQIMSA-N 466.579 0.311 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169358 ONOPGIROFRKKDX-NRFANRHFSA-N 473.530 0.566 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1)C(C)(C)S 1836353777 KGMQPYHWYVLTIH-SZNDQCEHSA-N 498.606 0.476 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1836860137 XJGAITSCWSDEQF-HNNXBMFYSA-N 467.613 0.884 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837079429 MJEOACXEXYDADV-FQEVSTJZSA-N 485.647 0.289 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837159704 BOYHYSSNJNPEMN-COQMUBBDSA-N 471.514 0.933 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c1 1837247248 OPAUTMVKHNXOHY-XMYAASDLSA-N 466.538 0.782 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1837401203 VKNGACSKEWLHML-GCJKJVERSA-N 463.487 0.944 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1837446743 ODGBAEGARVVUGW-TVRDVRDVSA-N 478.590 0.894 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1837529756 XZUURWABCRTKNG-ZYBSPHAMSA-N 463.434 0.082 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837972508 KJVGKGIKQUPVLB-HOYKHHGWSA-N 491.541 0.759 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn(C)c4=O)C3)C2)c1 1838579460 LPQUFXSJSYTOKE-XMMPIXPASA-N 466.494 0.649 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CNC(=S)NCC)CC2)CC1 1838642582 YRBXAFKAYXHLMH-UHFFFAOYSA-N 468.620 0.978 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839035864 IJBXHHDKMPVMGR-HJPURHCSSA-N 460.506 0.950 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCSC)C3)C2)c(C#N)c1 1839132919 WAYNFRWHCKRULW-REWPJTCUSA-N 477.583 0.680 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1839176271 FSPCZDKHAJNPMP-QHCPKHFHSA-N 486.562 0.022 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1839185721 JITFCPDCNJNAMQ-XFAGBWLFSA-N 494.589 0.438 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2)C(=O)O 1839442885 GVBAVOIYBPNWTG-UWJYYQICSA-N 498.458 0.710 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1839716169 ASOZPHJMBBWCHV-QHCPKHFHSA-N 458.515 0.462 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(F)CCCN(C(=O)OC(C)(C)C)C3)C2)C1 1839810598 IDBUCCKMNSTJOQ-FGZHOGPDSA-N 453.511 0.815 30 20 JCED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1839859834 IVPSMKCIYBSWMV-FQEVSTJZSA-N 479.331 0.527 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)NC(C)=O)CCO3)c(O)n1 1839876733 YNTHFLJOINGWLG-HJPURHCSSA-N 460.531 0.500 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1839889005 VZMSCHXEAMPMGV-IBGZPJMESA-N 479.546 0.326 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(Br)c(F)c3)C2)C1 1840044455 IZFZJJOVOBEJLR-FQEVSTJZSA-N 483.290 0.675 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2)c1cccs1 1840104789 BMWWVJWZXGFETR-BMOUEYTDSA-N 475.567 0.956 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3O1)CCO2 1840135114 HQDCMLPVFKJMMO-VLBOBANCSA-N 469.538 0.695 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840497095 HRKAXKSEYNUHFM-UEVPCVAJSA-N 462.503 0.315 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820006 SMMBINPONYUBMP-XMMPIXPASA-N 466.494 0.406 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846228797 JZUDRMYVRYZGDO-FRQCXROJSA-N 461.515 0.550 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c1 16224303 QQPYCJFBKUMTAI-UHFFFAOYSA-N 489.575 0.947 30 20 JCED CNS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1OC 18039306 ZCQHHRBBLCWKQB-UHFFFAOYSA-N 478.552 0.622 30 20 JCED COc1cc(CNC(=O)CO/N=C(/N)C2=C(N)C3(CCCC3)N(C)C2=O)cc(OC)c1OC 109086697 FSLPLHSTBFOTTG-UHFFFAOYSA-N 461.519 0.615 30 20 JCED COc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1OCC(=O)NC1CC1 516486615 CBLMKEHOKWUZQB-UHFFFAOYSA-N 478.509 0.907 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)c1 518462184 QQHOEVJYCUSGCZ-UHFFFAOYSA-N 467.525 0.855 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cc(C)ccc3C)c2=O)cn1 523179674 DPPLJZUSPPCGSQ-UHFFFAOYSA-N 451.552 0.998 30 20 JCED C[C@@H](c1ccccc1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccnn2C)c1=O 604004930 SWORDVCYHDJKKP-SFHVURJKSA-N 492.605 0.204 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCc1cccnc1 609038948 SOWAEBAZRKNXFZ-UHFFFAOYSA-N 455.565 0.660 30 20 JCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccnc2OC)C1=O 726401518 AQTWQHJPZMSLRV-UVPKWBSNSA-N 477.568 0.874 30 20 JCED CCS(=O)(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 748055511 BWAMLZWUGMMIBH-UHFFFAOYSA-N 456.590 0.779 30 20 JCED C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(CCC#N)c1ccc(F)cc1 824403792 BHLWCDMAAKIWAM-ZDUSSCGKSA-N 456.434 0.451 30 20 JCED CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 913242610 IIVQDZSRGGAWMH-ZBFHGGJFSA-N 451.501 0.570 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCCNc2ccc(C#N)cn2)cc1 914859605 VIBXPTZZWGUXSM-UHFFFAOYSA-N 458.544 0.942 30 20 JCED N#Cc1cccc(CNC(=O)CN2C(=O)N[C@@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)c1 915660559 AGTUQCZDAZIMHO-OAQYLSRUSA-N 456.455 0.938 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 918819128 KVEMUDDOGGNHMY-UHFFFAOYSA-N 490.582 0.910 30 20 JCED N#Cc1cn(CCC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c(=O)nc1O 1142609493 JTVZJGQTKUAKFH-GOSISDBHSA-N 451.531 0.666 30 20 JCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1290865138 LRLUAFIWFVFCAE-YLJYHZDGSA-N 466.594 0.906 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1294415193 WFFYGSGBUANJLQ-NVXWUHKLSA-N 456.590 0.192 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1300881062 SVADEWOAMQFPCI-NRFANRHFSA-N 467.574 0.959 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1517627150 LCQZGBFIWIYIKN-UHFFFAOYSA-N 454.516 0.022 30 20 JCED CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1541242100 UUDZWEQLMKLNTJ-IBGZPJMESA-N 495.650 0.852 30 20 JCED COc1cc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)ccc1C 1554750725 XSNFANGJYRDTLY-QUCCMNQESA-N 490.586 0.900 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCOC[C@H]3C#N)CC2)cc1 1565731655 NFYJBQVYAOKQMV-MRXNPFEDSA-N 450.517 0.059 30 20 JCED N#Cc1cc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1C(F)(F)F 1661782122 RWEYQTXLIQCHJL-CABCVRRESA-N 453.464 0.353 30 20 JCED CC(C)C(=O)NCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1723086930 PLZAHVQVKOUQED-QGZVFWFLSA-N 475.575 0.696 30 20 JCED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)n(C)n1 1725839143 LKHWVGWJKJFUDI-MAUKXSAKSA-N 452.516 0.143 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CC[S@](=O)CC)C2)C1 1778821795 BTRKTAPBYCLMDW-ZGVBGQFESA-N 469.604 0.892 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778846700 NYTXATSLIKIHSK-IVZQSRNASA-N 477.566 0.619 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778917627 PTEIMGDPRUHMHP-FVGIDDJYSA-N 484.557 0.003 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)C1 1778970772 DWWJTCPCNFPPOO-YADARESESA-N 456.543 0.743 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1778973091 ZCANULDVTJWNCE-NTKDMRAZSA-N 460.527 0.852 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1778979792 PUDSQCBBVUVXBW-SAHWJRBASA-N 469.579 0.665 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779015582 ZQWWIPMWEHYHHB-KWAHZMDQSA-N 493.605 0.924 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781168585 XNPOGANTWNQVMG-OSPHWJPCSA-N 491.589 0.869 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C1CCOCC1 1781206642 ZEPSAQVEADMENU-UUOWRZLLSA-N 493.557 0.614 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783642257 MBIIOBPQVVZZRK-YROCYRMSSA-N 462.547 0.880 30 20 JCED CCCNC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784376301 SWBLNNBFRTXQFO-JHLSVYKXSA-N 452.552 0.802 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc[n+]([O-])c3)[C@H]2C1 1785499668 DJCNZBGTCBFRSJ-HAGHYFMRSA-N 472.542 0.830 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1785573122 QYQFZRWINUMHIF-FDDCHVKYSA-N 459.547 0.938 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)NC3)CCO2)C1 1785593333 ZYPYQFJJGAITQI-HZCFWTAGSA-N 476.574 0.812 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787083448 YUDMULSMFMEPDS-WFXMLNOXSA-N 466.494 0.940 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC)NC(=O)OC(C)(C)C)[C@H]2C1 1787468163 AIOHMJTYPJTMJL-FKSLSLAPSA-N 467.563 0.544 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Br)ncc3F)[C@H]2C1 1787661400 XMQYVRPGHFPXEI-JKOKRWQUSA-N 454.252 0.665 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@H]2C1 1788470089 WRIOAUKTGOFNQM-LVEJAMMSSA-N 498.577 0.500 30 20 JCED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)CC1 1788658854 ZIOMPOACYNEQIE-GGWCFPGGSA-N 465.595 0.133 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21)N1CCN(C)CC1 1789797396 LAULBIUZCALTQH-UZSDIVCKSA-N 457.550 0.927 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1789839253 JWEPSFYGJXEQJR-OMZCGLGVSA-N 490.601 0.942 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)[C@H](O)C1 1791076571 KFXKEAPKOFPPBT-QOMBBPHQSA-N 493.557 0.062 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)[C@H]2C1 1791258566 SRAOVAAKZDQDPR-XSLAGTTESA-N 478.546 0.405 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1792171847 OWVYBXCKEJZFER-BJLQDIEVSA-N 453.543 0.415 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)cc1 1792629725 OMSWFVMPQPFKGH-BMFAXAFESA-N 462.572 0.801 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793943341 HZDHVEXMKBUHDU-IWSXDTNSSA-N 493.561 0.034 30 20 JCED CC(C)(C)OC(=O)N1CCN(c2cnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)cn2)CC1 1795077989 HJTGCWRYBHSNPQ-UPHUGPLXSA-N 499.572 0.651 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795411323 FTHKOQDGGQYYMV-KYHPRHEASA-N 478.546 0.726 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1795602979 SULURACETDLTOT-BPHLJZQPSA-N 458.515 0.688 30 20 JCED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)cc1 1796436547 OTWKGTGUSMKDIK-HATOLVCRSA-N 460.556 0.116 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccc(Cl)cc2)C3)CC1 1797136768 ILWVRPAMHFLTKV-HATOLVCRSA-N 494.013 0.953 30 20 JCED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C)cc(C#N)c2)CC1 1799801010 DQFYIYMEZNULAM-IUTQVRIDSA-N 453.543 0.234 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O 1800540942 IQAKPCIIUHAQDZ-DMUMMCEESA-N 466.579 0.962 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778470 APRREUUXPKTVKL-CLWJZODNSA-N 461.515 0.361 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CSC)NC(=O)OC(C)(C)C 1801945014 JTDAJQFGIQCYCG-DFBDCSAJSA-N 469.604 0.871 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)cc1 1804086753 AOWADEBUWWPRAH-XXBNENTESA-N 460.494 0.754 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)cc1 1804184343 XBEQKHKPOWZBBY-XXBNENTESA-N 460.494 0.754 30 20 JCED CCNC(=S)NCC(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1812330846 PATNKEXFIOQUPO-IEBWSBKVSA-N 459.620 0.853 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1812716937 JMERENWVJRCYJZ-URXFXBBRSA-N 465.554 0.868 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)C(C)(C)NCCC#N)sc3C2)CC1 1814980091 SVPYYJMWIPQWIA-INIZCTEOSA-N 475.619 0.501 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1819456782 SHNSOOOWEGJHRW-IZZJBSDZSA-N 458.475 0.856 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CC2 1825663452 GQIYTCZMXWQHOZ-UWVGGRQHSA-N 457.468 0.149 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CN)CC2 1828284692 OIVDHPZRWNCCCG-DYEKYZERSA-N 450.565 0.258 30 20 JCED CC(C)(O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828912927 OYDDEIOVXVMSQT-XMMPIXPASA-N 471.510 0.688 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)nn1C 1829904158 KVXPNIZJFRHMAR-HSZRJFAPSA-N 453.499 0.613 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063141 JUYNKDSAUOVWFC-RDPSFJRHSA-N 474.533 0.879 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830885387 DRUYEIOEWBYXCN-KDLAUNOPSA-N 493.557 0.060 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCOCC1)CCO2 1831109364 AZZDEEBEYCTHQP-QHCPKHFHSA-N 465.547 0.398 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831208369 MFSCYCUDCDAMLW-YADARESESA-N 489.594 0.532 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831324750 TVOHFTCRAYQNET-NIZDUYGQSA-N 499.611 0.271 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(COC)CC1)CCO2 1831386030 OQCFMRRCJBSHAS-KOSHJBKYSA-N 479.574 0.786 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C2)C1 1831421326 HZKRBWCYVJBYGL-WMZHIEFXSA-N 480.583 0.816 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831456649 SEKWBVOXFNZUBK-KYNLDRKZSA-N 484.596 0.624 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1831485003 KPJKCZSTLNOWBO-FXAWDEMLSA-N 471.601 0.510 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832497812 RDJNFUYJCVLLFX-XOKVZSEQSA-N 469.494 0.995 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1833105446 ISJSWRRTYJRDOS-NTKDMRAZSA-N 487.557 0.887 30 20 JCED C=CCCc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CNC(N)=O)CC3)CC2)c(O)n1 1834027875 WORBLPNXOUJACQ-UHFFFAOYSA-N 458.563 0.759 30 20 JCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835112822 VYPNHSNVOMROQI-RJHIMSKASA-N 491.662 0.832 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)c1ccc(O)cc1 1835437899 PGVNGXXBAZMSON-NTKDMRAZSA-N 457.527 0.434 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1835677241 CORSVBBPKWUCOE-URXFXBBRSA-N 485.541 0.459 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1835752617 SZTMPWVYJYLSHZ-UHFFFAOYSA-N 485.585 0.831 30 20 JCED O=C(/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)NC1CC1 1837250992 VYSAWGQFHALDEA-XCFMPIOMSA-N 473.551 0.778 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C(C)=C/OC)CCO2)C1 1837268382 KXHWVUFTTMDFHD-GPVLSUBRSA-N 465.547 0.910 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1837393312 OXVIYVUWXHBDID-FDDCHVKYSA-N 451.564 0.419 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1837427432 QIZKZTJJTKGTOD-XMMPIXPASA-N 489.645 0.809 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837443774 JARUXQDBYLVDMG-XTVKVDEJSA-N 458.563 0.689 30 20 JCED COCc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837490620 JDFCQRARQWUSPH-DEOSSOPVSA-N 459.543 0.930 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837503706 XVHSEKXPLKAJNB-ZJSXRUAMSA-N 487.509 0.432 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837532763 GCPGZDLEHJGDAS-LHFZJPHTSA-N 453.536 0.523 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)c(C)n2n1 1837562930 HNVDGYCDBUJDEO-YQSZEYAUSA-N 481.513 0.523 30 20 JCED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835412 DUEQDKHUYBPLTF-UHFFFAOYSA-N 453.423 0.921 30 20 JCED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c(C(F)(F)F)n1 1837961207 OITIFGDYGQZGBY-UEAIBJGASA-N 486.495 0.981 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1838603723 AMUXLWLUOGHXCY-QHCPKHFHSA-N 467.482 0.162 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838628199 ZPPYLCJZDFNMRA-SBUREZEXSA-N 491.497 0.967 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)c1Cl 1838640732 SVJVSFGCXDICQF-NRFANRHFSA-N 457.874 0.679 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908147 KJNQEQKNJCEEIE-AVRWGWEMSA-N 477.521 0.842 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1839130553 HDBNEKMCTZPXLQ-GAJHUEQPSA-N 491.545 0.836 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839666111 QOBQNAPRXAUUKW-JTSKRJEESA-N 462.572 0.576 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4C[C@@H](C[C@@H]4F)N3C(=O)OC(C)(C)C)C2)C1 1839810698 MIUUSHHZEHBRNP-GBLYOYEHSA-N 465.522 0.812 30 20 JCED C[C@@H]1[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCN1C(=O)OC(C)(C)C 1840045031 MWVPLIMZAUVTDT-QZMQVMSPSA-N 479.530 0.176 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840045061 PBJNGOMKVOYFQS-DNQXCXABSA-N 493.557 0.568 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1840175877 KAFBSNOUDNTQMC-IMRHEYAYSA-N 467.563 0.779 30 20 JCED Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)COc2ccccc2C#N)CCO3)cn1 1840819232 XJEFKQYWPQDSEE-XMMPIXPASA-N 467.526 0.760 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCOC2)CCO3)c(C#N)c1 1840877050 MINAVLGAOQKMOP-YADARESESA-N 457.527 0.992 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/OCC)C2)C1 1840908192 CUTYZQDEXDJOGF-JUNPDPNCSA-N 465.547 0.910 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C2(O)CCN(C(=O)OC(C)(C)C)CC2)C1 1841788269 UAKDKNKXQYRZAT-FPLPWBNLSA-N 476.574 0.810 30 20 JCED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)Cn2cc(C)c(O)nc2=O)C3)c(O)n1 1842298217 KIBGJTJNNYRKCT-UHFFFAOYSA-N 453.499 0.994 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843154160 GQEHLBSSISEVMD-UHFFFAOYSA-N 482.541 0.892 30 20 JCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2)NC(=O)OC(C)(C)C 1846934591 HNNQWQLAGUUSQD-MRXNPFEDSA-N 460.531 0.974 30 20 JCED Cn1c(=O)c2c(ncn2CCC(=O)OCC(=O)Nc2ccccc2SCC#N)n(C)c1=O 16162394 QAZUBYDSOAWUCV-UHFFFAOYSA-N 456.484 0.621 30 20 JCED CCCn1c(=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)sc(=Cc2ccnn2C)c1=O 502006149 SPFCZTJNGRIBNL-UHFFFAOYSA-N 496.505 0.874 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 515685624 XSCROSXNLDAYFM-UHFFFAOYSA-N 482.606 0.596 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O 524281234 MSBSFSNCUIIRTD-UHFFFAOYSA-N 455.359 0.248 30 20 JCED CS(=O)(=O)c1ccc(C(N)=NOCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 726788682 WLGWOULACKTRGP-UHFFFAOYSA-N 496.567 0.387 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc(Cl)nc2)CC1 727164676 QBAYWSUPKLGKAB-UHFFFAOYSA-N 483.985 0.348 30 20 JCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 743381281 SRQGRACLBVIJGX-UHFFFAOYSA-N 465.514 0.516 30 20 JCED CCOC(=O)c1sc(NC(=C2C(=O)NC(=S)NC2=O)[C@@H](F)C(=O)OC)c(C#N)c1C 814334797 DEIBMIKWKOLANN-SECBINFHSA-N 454.461 0.813 30 20 JCED Cc1ccc(C)c(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)c1 839013604 PWHRHALQPVNWIS-UHFFFAOYSA-N 492.605 0.201 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3cnn(C)c3)c2=O)cc1 839265798 HYQOHOKEGLPHNN-OAHLLOKOSA-N 467.551 0.685 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)CC2)o1 915377781 FMAXMOMJNNPUDR-PEBXRYMYSA-N 472.502 0.547 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 920467085 MVFDWJMIGOOEAZ-KRWDZBQOSA-N 457.508 0.653 30 20 JCED CNC(=O)c1cccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c1 1299051604 PJWFBCWTMCGNMH-QFBILLFUSA-N 489.602 0.952 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCCC1=O 1303866803 LFICGZDUQBRDNB-CVEARBPZSA-N 453.569 0.410 30 20 JCED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1316111684 NYYLOYMXFABSLM-UHFFFAOYSA-N 469.546 0.356 30 20 JCED CC(=O)N1CCN(c2ccccc2CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1442782933 PYEYBAZGAHTHCO-UHFFFAOYSA-N 455.540 0.821 30 20 JCED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cn1 1554929670 FOBWTQFRWUKCQS-RHSMWYFYSA-N 460.564 0.517 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccc(F)c2)C1 1555813925 VLLLAYUXXPTXBV-QZTJIDSGSA-N 464.523 0.722 30 20 JCED COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1619878662 REYRTUKQQRLKHP-UHFFFAOYSA-N 482.589 0.969 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCS(C)(=O)=O 1711085621 NCYAKPIKIVWMKZ-SFHVURJKSA-N 496.615 0.554 30 20 JCED C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1712715391 QICTZCCGRXVLBJ-HKBQPEDESA-N 478.600 0.721 30 20 JCED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1741886053 MLXUYCGECNBHTL-OAHLLOKOSA-N 466.589 0.722 30 20 JCED C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1749244785 UIORMCHIUKDDGJ-KRWDZBQOSA-N 453.590 0.879 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCO1 1760674517 PCSWSWPFGCNGBQ-IBGZPJMESA-N 455.519 0.548 30 20 JCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1=O 1769077836 SVUKVWPCFMDPCK-LJQANCHMSA-N 453.547 0.854 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1 1770346042 WJZOZWZLHCBQGZ-UHFFFAOYSA-N 478.600 0.723 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1778920859 GCPRWDBAYPBVRQ-SAHWJRBASA-N 498.577 0.393 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1779271539 NSIQNONGMCJYSG-LBUQITIBSA-N 455.519 0.709 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1780684465 TXESKUSBXLRFIX-YBJWPOLQSA-N 479.622 0.483 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1781295455 RCVGWEPHQFWLMH-XLNZFTOWSA-N 496.605 0.827 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(C)C 1781386171 DVOCGFLGAQSROM-OWHZGTRUSA-N 488.585 0.601 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)[C@@H]4CNC(=O)C4)C3)c2c1 1781779541 DBBSUOBHDYPBEW-TUVUNVSASA-N 450.499 0.698 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1781857893 COHDTKIPJQFBFB-WMZHIEFXSA-N 474.514 0.610 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)CCOC1 1782013896 XCKCBLSXNQPVRE-AVIJNYRZSA-N 479.530 0.272 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)Cc1ccccc1NC3=O)CCO2 1783566793 IZILBGFQVOYZJB-HSZRJFAPSA-N 463.450 0.029 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCO2)NC(=O)OC(C)(C)C 1785306924 YJMCCWCZGGDWHS-IIBYNOLFSA-N 463.539 0.363 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)C[C@@H]32)c(O)n1 1785772944 WRQJKYJMOHCRNE-MGHWNKPDSA-N 471.514 0.097 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1 1789344868 HPGCHVIEBBQHMQ-CAVMOMJPSA-N 487.557 0.707 30 20 JCED CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)NC(=O)OC(C)(C)C 1789939277 CTHIUPYQHHGMOT-YVSFHVDLSA-N 451.520 0.748 30 20 JCED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1790572067 ROTUPJNATCVWBQ-BZSNNMDCSA-N 450.605 0.149 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCC4(CC3)OCCO4)[C@H]2C1 1790734056 HFMYUJBOOKSSTN-IQUHNSSXSA-N 461.559 0.758 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)C[C@H]2C1 1791077770 JEMACJJTFKZWSU-BRHFBXIFSA-N 475.542 0.701 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)[C@H]2C1 1791103249 SVCDNJIQLSVERC-SPOLIRPYSA-N 495.573 0.461 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21)C(C)(C)S 1791192001 HWHCHUPDFVCVIT-NBOOPKSLSA-N 489.635 0.577 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1791266232 NAGVACLEEZKIGW-XSLAGTTESA-N 470.636 0.837 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792272128 DSIQXYUZZXLMRO-FPSMNIFISA-N 497.593 0.536 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)C2 1793346957 SOXKZQSDIKFWFH-NRUGXNMXSA-N 463.531 0.540 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1793357815 AVPRLYXKDOKQMR-FMSGJZPZSA-N 474.299 0.809 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)c2ccccc2C1=O 1793861052 HFUOVJGAIHVNQD-MNDZRTMASA-N 469.538 0.835 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CCC(N)=O)ccc1Br 1795532801 CMUWOXWMMHPRLE-KPEUIFRASA-N 478.347 0.117 30 20 JCED CN1Cc2ccccc2C[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598141 BOYNVJBXLQDUBC-CIAFKFPVSA-N 453.587 0.915 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N 1796043460 SDSHXCMDWOLRAS-YYIAUSFCSA-N 451.568 0.792 30 20 JCED CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/C(=O)c2cccs2)CC1 1796444909 SJWFLIVWEAXXDE-WZEMGFAMSA-N 460.600 0.714 30 20 JCED C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797311751 AQNBQOLWGWPZJT-WVPQZDDBSA-N 463.531 0.700 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1797808311 BDUIRDFLIOMUGE-GAGMKYEASA-N 476.574 0.896 30 20 JCED O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)NCc1ccco1 1797892831 VXJWVNVHGUNKPT-KFAIEEKJSA-N 474.514 0.571 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799354099 QGJAIYVPAFKMPH-UYTYNIKBSA-N 470.567 0.653 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)C2)C3)cc(C(F)(F)F)c1 1799786892 INWZISBEIZLGIB-AFIMGQEJSA-N 450.417 0.916 30 20 JCED C[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CCN(C(=O)OCc2ccccc2)C1 1800838802 CLFMPZXNTAUDQM-YBWLXYFRSA-N 483.521 0.713 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1cncn1 1801265219 ATWSDBMOIPGKEE-XSDDWTICSA-N 474.562 0.727 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2)NC(=O)OC(C)(C)C 1801931519 MNIRWXXPXSZPRG-QIYLELGZSA-N 496.605 0.086 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2C(N)=O)[C@H]1c1cccnc1 1802477609 QKQABXURNXSQDD-JUOHCQIYSA-N 462.510 0.754 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810356837 GRKNMJVKXROGRP-NHMRDKIWSA-N 477.518 0.681 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)COc2cccnn2)[C@@H]1c1cccnc1 1813385640 SOOYDICQBWCNHS-VQLQEPDVSA-N 450.499 0.815 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1814934061 RRVAITQVGIXVIA-WCQYABFASA-N 465.532 0.385 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](O)N4CCOCC4)sc3C2)ccc1F 1819890488 LPRVNDGLSJIQJC-QVKFZJNVSA-N 473.530 0.959 30 20 JCED C#CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1826415986 UYSVEXSZFMGSFH-HNNXBMFYSA-N 452.602 0.979 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1828284597 LXQJEQMQUZQKAG-GUTXKFCHSA-N 492.602 0.565 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN)C2)C1 1828494321 HBPNRIBIHDTQPX-HMLKYZKVSA-N 469.542 0.256 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1829342791 OHPXCWGKTFLHCO-QSAZIKIQSA-N 491.614 0.350 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)[C@@H](O)C1 1829690512 APCJPFPHEATRFA-BSRJHKFKSA-N 480.562 0.364 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCN(C)CC4)cc3)CCO2)C1 1829696862 LFNWRWPJRXLGAJ-FDDCHVKYSA-N 462.616 0.827 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 1829769539 YOEVLVCBNSVTSJ-RRFNBQSRSA-N 479.537 0.801 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(F)c3F)C2)C1 1829771307 QJSUOFPGEWLYQQ-KSEXMQBYSA-N 463.481 0.822 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1831388857 ZOKCWYKLFPZDPR-NKOIWJIPSA-N 469.538 0.354 30 20 JCED C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832132375 NJPUCPGHCFMQPO-QZTZHPFYSA-N 493.557 0.424 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)c(C#N)c1 1833276040 DGEFZWAORULPFS-DEOSSOPVSA-N 466.494 0.513 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c(=O)[nH]c1C 1833387707 BQNINQOMPIYPGM-DBNSOCDESA-N 457.487 0.169 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834602763 LKPNKVJAZDTSEK-GOSISDBHSA-N 451.568 0.747 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834755908 MHGVEVAONUNNQM-NRFANRHFSA-N 466.535 0.118 30 20 JCED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834973209 FWSQBCWLZMLXHW-UHFFFAOYSA-N 464.477 0.209 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)CCOC1 1835359182 YOMYUXFUVMHKLM-YADHBBJMSA-N 466.535 0.430 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnn4cccnc34)CC2)CC1 1835533838 IYNKNPKHEWFVPF-PLNGDYQASA-N 465.558 0.773 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835629857 KZXXJQURIIEKQK-QMHKHESXSA-N 491.545 0.552 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3CNc4ccccc4O3)CC2)CC1 1835699194 XPSQTYSYEZISIX-LJQANCHMSA-N 454.527 0.909 30 20 JCED CC(C)(C)OC(=O)N1CCC(CNCC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1835734106 BCQMGFNVTFJFEI-DEOSSOPVSA-N 493.605 0.593 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1837302233 XSLTVOWKAQCHPT-SBUREZEXSA-N 457.531 0.465 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1837427235 NHHWKAPFNRMJJA-JOCHJYFZSA-N 465.623 0.946 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837495789 BHTVYARPWGYYJQ-XMMPIXPASA-N 464.559 0.731 30 20 JCED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)o1 1837524753 MDPGMFIXXYFOHV-DKQKECBASA-N 465.507 0.340 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838321704 YTIWDVZIKODGEY-KSFYIVLOSA-N 479.534 0.999 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733073 MRZLNSKGPSPBLE-UZUQRXQVSA-N 491.545 0.232 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)CCC)C2)C1 1839174864 BCOKXOBHENFTJR-HTAPYJJXSA-N 453.536 0.257 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1839185752 JZHWUGWBBJUDQI-JPYJTQIMSA-N 485.578 0.311 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(NC(C)=O)c1ccccc1F)CCO2 1839234181 XXGDXDGNFSHCLK-PISWEHOVSA-N 489.544 0.672 30 20 JCED CC(C)C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840039702 DYOHUWOYTJWERF-MHECFPHRSA-N 495.573 0.860 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC)C2)C1 1840108138 PSPAMLDLZMHEQS-YZZKKUAISA-N 468.595 0.910 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1840168081 FQRMOMUGJXVTTE-XMMPIXPASA-N 478.509 0.444 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1)c1ccc(O)cc1 1840222087 CIRBTJBJEMPVLO-YZIHRLCOSA-N 483.565 0.872 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1)c1ccc(O)cc1 1840222389 NKLOBHCXNFVEQO-NLFFAJNJSA-N 455.555 0.907 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1840233154 OPSHRDUCNPTBLL-RHGYRFJNSA-N 494.589 0.438 30 20 JCED CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)OCC 1840281826 QSFJDRMVRHMMRU-GQBVICOWSA-N 454.568 0.704 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840835361 KDHIXCOKXMBIMT-FDDCHVKYSA-N 463.531 0.339 30 20 JCED CN[C@@H](CC(=O)N1CCCC12CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2)C(=O)O 1842952390 QYKCXNKUHISDAO-INIZCTEOSA-N 477.562 0.793 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197111 VIOQWOFYVTYLRP-WAIKUNEKSA-N 461.515 0.694 30 20 JCED CS(=O)(=O)N1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 109047076 RYTUNXWTUWYWNK-KRWDZBQOSA-N 454.574 0.499 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCNC(=O)c3cnccn3)nnc12 588114892 KUNKRXVZYLZWRP-UHFFFAOYSA-N 464.511 0.659 30 20 JCED CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCN(C)S(C)(=O)=O)cn1 726108059 DTMUWSXTUZNOEY-HNNXBMFYSA-N 456.594 0.785 30 20 JCED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCNS(C)(=O)=O 727163504 DTJVXUAYOXOCBM-UHFFFAOYSA-N 493.655 0.919 30 20 JCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCCNc1ncccc1C#N 743394491 BRGJKIHRCLYTAL-UHFFFAOYSA-N 465.514 0.516 30 20 JCED N#Cc1cccc(CNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 746566865 PGEFHOXRKDLXEQ-UHFFFAOYSA-N 456.480 0.152 30 20 JCED CS(=O)(=O)C1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 750272839 PSRRPSWTTSDFAB-UHFFFAOYSA-N 483.568 0.292 30 20 JCED C=CCOc1ccc(/C=C\C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 794254498 GTXWFIREDBORMW-ZQMJAJRESA-N 452.485 0.829 30 20 JCED COCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 917352426 SDNBEVPHJYNSCN-UHFFFAOYSA-N 464.503 0.880 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(Br)c2)c(=O)n1CCOC 917352520 ALITWBLWQPALRL-UHFFFAOYSA-N 496.383 0.593 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2cc(O)n3ncc(C(=O)OCC)c3n2)cc1 919048828 SPXLDENIHXKKSM-UHFFFAOYSA-N 458.452 0.880 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 1359402352 XLXNBFMYDVVSKD-HXUWFJFHSA-N 480.573 0.595 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1=O 1519237165 SACCCIFSPKYMDW-UHFFFAOYSA-N 467.530 0.394 30 20 JCED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N2CCSCC2)CCOC1 1616213693 KNQMPZJAWVCCPB-RTBURBONSA-N 488.611 0.751 30 20 JCED CC(C)[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(=O)N(C)Cc1nnc2n1CCC2 1617668506 YYPFVQKMXDOECH-AVRDEDQJSA-N 458.611 0.489 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)NCCc1ccccc1 1692537261 FNXXZWAMRICFGG-FQEVSTJZSA-N 464.574 0.952 30 20 JCED CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCOC1 1697227338 YTFNQZCGWDGEOY-QHCPKHFHSA-N 453.547 0.832 30 20 JCED COCc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1697817390 WDQCONLZAPZWLH-RBUKOAKNSA-N 476.559 0.534 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C)CN1CCCC1 1706814728 DICBTBFKVOHCSJ-AOIWGVFYSA-N 464.640 0.797 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1712443032 QDADFDDMZZVHKA-UHFFFAOYSA-N 481.557 0.784 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc2c(c1)OCCO2 1741945333 SOJZMMKSKSWWBJ-HOCLYGCPSA-N 462.532 0.631 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1766567610 IGOKSPXMDYPGIN-DEOSSOPVSA-N 467.574 0.959 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)C1CCN(S(C)(=O)=O)CC1 1766959426 JUZMZQGQLZLUNZ-UHFFFAOYSA-N 495.631 0.568 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2)c1n[nH]c2c1CS(=O)(=O)C2 1777716854 XNRCKRGPDHNVGJ-LTVDUZJQSA-N 489.554 0.678 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779072352 IRYKEKAZKLHBGZ-CVDCTZTESA-N 483.481 0.373 30 20 JCED O=C(NCCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccc[nH]1 1779099449 HJQKONODZOTNPN-UKPRUQCOSA-N 461.519 0.494 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn2[nH]cnc(=O)c12 1779102066 AWDRIZLVUZIZAM-AEGKILRESA-N 472.502 0.304 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1779136188 MPXIFKGSJYHSGT-XWRADEMYSA-N 466.560 0.200 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780182455 RNSXLNOCRIQCAU-TXTKFYIRSA-N 467.530 0.484 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1780807307 SEOBVNWOKZNEEP-DRSNIGMVSA-N 463.535 0.572 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780950604 WBOZPJUXDCZOHA-IERHDLLWSA-N 456.503 0.631 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C(F)(F)C1 1781380152 OAROGMRKNBAVFJ-QVKFZJNVSA-N 485.484 0.797 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1781392138 ZTYWFDDPKSYEOS-HRAATJIYSA-N 466.560 0.871 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781424043 CJQINNLOFFYZTA-YKSBVNFPSA-N 482.541 0.979 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CSc5nc[nH]n5)CCO4)C3)c2c1 1782198377 PKRSNENBMXMYAS-FQEVSTJZSA-N 452.500 0.788 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567827 BLFSTIMFEFRYDG-SEPYTNNBSA-N 463.531 0.988 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1783601677 BIDAILWVDLWPPE-VFNWGFHPSA-N 452.508 0.576 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783685518 OWEXSRHPBWUXOL-VGWMRTNUSA-N 465.551 0.285 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CNC(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784087972 GGBSZDCBSGQMKN-HTAPYJJXSA-N 450.536 0.518 30 20 JCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C[C@@H]21 1786367385 LDJANTGPVKRKNM-MPGHIAIKSA-N 484.538 0.171 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C(\C)NC(C)=O)[C@H]2C1 1790562515 DAXPUDSDVWEFRZ-WFHPHKQLSA-N 476.574 0.923 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)[C@H]2C1 1791434243 UUKHEQFPRKUNBQ-SPOLIRPYSA-N 477.558 0.931 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1791543573 FNJDMYKHPWKNPY-BPCBYJRWSA-N 496.543 0.690 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792110858 UTXTZVVWKNRYNE-RDGPPVDQSA-N 466.579 0.962 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)C1 1792631183 JCWBFHQZQLFJKX-MDMSPXHWSA-N 464.563 0.744 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795529322 SWWAMUFORQIYLH-RCLSDMTESA-N 471.558 0.542 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Br)cc2cn[nH]c12 1797544117 RQSADIGBFZZOBN-DPIQGUFMSA-N 461.272 0.617 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1797710989 PRULHZOHUXHYHQ-NNXHMXCWSA-N 455.552 0.035 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)n1nc(C)ccc1=O)C2 1799303912 CASOCHZDKXLPLY-XEMDLRDOSA-N 460.531 0.386 30 20 JCED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)no1 1799327496 FMNUSURCZYGSIA-FAQVEIGNSA-N 469.473 0.556 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)=O)NC(=O)OC(C)(C)C 1800515657 UGOPSZNEELTVDN-CLWJZODNSA-N 452.552 0.572 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800526949 FTXAYCHALXCSSP-GAATZLIZSA-N 462.547 0.182 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778823 HYGZAZSDPIHRSB-VNXBCOTQSA-N 461.515 0.452 30 20 JCED COC(=O)[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2)NC(=O)OC(C)(C)C 1800912208 YDLINJYQGSSQGY-LORHWOILSA-N 489.529 0.546 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2)NC(=O)OC(C)(C)C 1801930736 MNIRWXXPXSZPRG-LBFCPWMRSA-N 496.605 0.086 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1802020939 LCXWYRPWUQVYQQ-DGPQGTHCSA-N 463.575 0.997 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1802088172 VNOWINPOYJTQPP-SBJFKYEJSA-N 459.565 0.351 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C)n1)C2 1802126128 CFEYIUOJWREDFZ-SFNKJDCFSA-N 457.531 0.905 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804193923 FVQBBUOESPTQAK-TZIWHRDSSA-N 490.630 0.100 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(N3CCOCC3)cn2)[C@@H]1c1cccnc1 1805068200 IINVFFCJNDQSDA-JPYJTQIMSA-N 463.494 0.721 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)CC1 1807145845 PRWFHKMVJRNVEY-GMAHTHKFSA-N 483.617 0.533 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810349223 IEIUIHXKQCDRFL-SBHAEUEKSA-N 458.563 0.020 30 20 JCED CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810359545 XBMXEKQOIGYTMU-ZJLNXOFASA-N 460.535 0.888 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)Cc2cn3c(nc2=O)SCC3)[C@@H]1c1cccnc1 1812877961 QZRYTCNMAIXGJR-MGPUTAFESA-N 467.507 0.081 30 20 JCED C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1)n1cnnn1 1813470946 OATQJQLEEMRDLS-OYIVFDOCSA-N 456.507 0.864 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816673643 KCNFQLWOJFHLTC-ZANVPECISA-N 458.504 0.068 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)NC(=O)OCC)[nH]n1 1820895947 RGSSPNZTDIEUNB-RDTXWAMCSA-N 451.480 0.976 30 20 JCED NC[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1829051138 XFPNKPLKYUVKIJ-AQZHKSTJSA-N 499.616 0.196 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCN2C(=O)OCc2ccccc2)C1 1829202229 DCBKMFYPEDVIFX-ZYLNGJIFSA-N 483.569 0.711 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1829335209 XNFOXNFFFFYIMY-DEOSSOPVSA-N 496.476 0.321 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C3)C2)C1 1829667999 FGXKNXFNZVBAJS-JPYJTQIMSA-N 467.563 0.949 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C3)C2)C1 1829670657 HKKNJPYBAFJXLN-WZONZLPQSA-N 467.563 0.685 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1829773710 RDWRCNUYPABICL-UZQCKINESA-N 459.547 0.205 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)cc1 1829902720 ZDKZRAWZFHYKHQ-XMMPIXPASA-N 456.543 0.279 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)c1 1830461450 JULBYMOBMMZOLC-HSZRJFAPSA-N 451.483 0.757 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C1CC1 1830850689 BZHXHHYTJGNLTL-HXOBKFHXSA-N 479.530 0.224 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnc1)CCO2 1830987010 ISDSPORRLBHULA-JXQFQVJHSA-N 489.573 0.817 30 20 JCED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1831280827 JRVWLLHFGRJUIY-HSZRJFAPSA-N 458.515 0.552 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2)C1 1831325404 XWSMYUNWAAWPEC-OPYAIIAOSA-N 457.593 0.539 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=C4c5ccccc5C(=O)N4CC3)C2)C1 1831397423 YAMVHUZEJHCDQN-DWXRJYCRSA-N 479.533 0.752 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1831425965 CPVHTSWHYIAEST-WHSBFGAESA-N 487.597 0.935 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831434189 SLPXNBDQLHQWAI-DKLXNKCPSA-N 497.589 0.406 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1831493511 UUCITACPEJRYHT-PPULILFRSA-N 453.605 0.798 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1831495543 CKWGLDCPGNTTLE-MDOVXXIYSA-N 461.581 0.240 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnn(Cc3ccc(OC)cc3)c1)CCO2 1832782638 JQNZCPZJQKMNNV-XMMPIXPASA-N 452.511 0.572 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833400506 XRFIPPHTKHMRKV-KKSFZXQISA-N 482.559 0.356 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1 1833469265 NVKCAZYZWYLRHX-QGZVFWFLSA-N 473.530 0.366 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834177489 MJMQAUOZICTXBR-MBSDFSHPSA-N 475.546 0.407 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cocn3)CCO2)C1 1834513069 IXHBMMMPYYZFEJ-ZHRRBRCNSA-N 462.503 0.661 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4C(=O)COc5ccc(Cl)cc54)C3)C2)CC1 1835338938 ZQXVBLBLZKQMQH-QHCPKHFHSA-N 488.928 0.826 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835361974 AQZLOGMXODKSSQ-QFIPXVFZSA-N 463.556 0.783 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835482711 NLQIOACYCKDGTO-LJQANCHMSA-N 450.628 0.606 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1)c1ccccc1 1835743830 PVOJESDLPWHUPD-BKSPAHHJSA-N 470.570 0.233 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)N4CCOCC4)CC3)CC2)c(C#N)c1 1835766384 HOBXBDUCVXXMCJ-AREMUKBSSA-N 499.612 0.332 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)n1cncn1 1835769097 SKHNFNQSVWHSGP-OHVPOGFWSA-N 461.567 0.940 30 20 JCED NC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccccc1 1835816716 LIPFGQROVILGHI-JOMCSANGSA-N 457.575 0.657 30 20 JCED N[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1cccnc1 1835834506 SGDXGBDXXSHLPP-YXCKYXGJSA-N 475.546 0.457 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cn1 1836381041 UFBGIOUJTCVIEY-DEOSSOPVSA-N 498.561 0.882 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc6ncnn6c5)CCO4)C3)c2c1 1837170151 LCFYYNOEJGPZFA-DEOSSOPVSA-N 486.492 0.861 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1837528265 CLBCDCNCNBLYNV-COQMUBBDSA-N 471.514 0.933 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837633129 FUCCWPOSNFEJMY-GONYIKIESA-N 465.572 0.863 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc4cnccc34)CCO2)C1 1838462533 ZTLQYLFVYYQEMV-XMMPIXPASA-N 466.542 0.982 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(-n5cnnc5)cc4)C3)C2)c1 1838735105 WHPDRKMBLNZBEA-HSZRJFAPSA-N 461.482 0.851 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838795922 JZABBBDFQQWHKQ-GBXCKJPGSA-N 469.542 0.910 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]1O3)CCO2 1839085964 UBOHGFLFNITTLJ-XZWCOCNFSA-N 491.585 0.881 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1839130555 HDBNEKMCTZPXLQ-SBUREZEXSA-N 491.545 0.836 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4[nH]cnc4C)C3)C2)c(C#N)c1 1839132797 RDBRALOCBVWNMN-HSZRJFAPSA-N 453.499 0.911 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1839184782 CNHRYXGQCVFPMN-UZUQRXQVSA-N 492.577 0.745 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839185629 GNVHAZHHWMCDQH-GSRZOBFVSA-N 496.605 0.025 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)ccc1F 1839187481 FRAISOSKHRRMHY-RUZDIDTESA-N 492.511 0.982 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1839225305 FFJZERMOHFLMFX-JTSKRJEESA-N 458.519 0.909 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(NC(=O)OC)c3)CCO2)C1 1839244014 YYOAUTNWGYTAFP-HXOBKFHXSA-N 459.499 0.973 30 20 JCED O=C(Cn1cnnn1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)CCO2 1839345636 UTPLQZWUZYBJEC-SANMLTNESA-N 486.532 0.843 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)ccc(OC)c3OC)CCO2)C1 1839374378 USCOPQFEGRBSIR-WAIKUNEKSA-N 464.490 0.951 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839387234 DQPFWPDPXFCKTO-MBSDFSHPSA-N 474.514 0.471 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839412859 OVDLUUAUPKOGOF-LJBSOROUSA-N 474.470 0.229 30 20 JCED CN(C)[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1Cl 1839734438 ZAYDRTDIHINRFR-IFMALSPDSA-N 463.918 0.487 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1839887468 DEWBPQDOXUVYKK-VFVRVIDISA-N 460.503 0.457 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c(-c5cccs5)ccnc34)C2)C1 1840042004 UUUCOWDFPCXHRF-QHCPKHFHSA-N 495.517 0.616 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1840162393 WKMNDNUOMPBSIX-QVKFZJNVSA-N 452.529 0.224 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CNC(=O)C(F)(F)F)CCO3)cc1 1840201111 FHTFVMZOVFAJSY-OAQYLSRUSA-N 482.459 0.626 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)[C@H](C)CC)C2)C1 1840907163 PVPAITSRXJGLRY-NRAIQUKZSA-N 481.590 0.766 30 20 JCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)NC1(C#N)CCCCC1 19166056 IQLYQKNLGXJZQI-KRWDZBQOSA-N 485.584 0.654 30 20 JCED N#Cc1ccc(CN2CCN(CC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2)cc1 23257935 DZJRWJPIAAFDKQ-VXKWHMMOSA-N 460.600 0.871 30 20 JCED N#Cc1ccccc1OCCN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 108714703 KYCPBUIQQBFIHH-UHFFFAOYSA-N 450.542 0.591 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccc(C)c2)c1=O 501764081 FZXFYHDBGGPDKW-SFHVURJKSA-N 469.563 0.970 30 20 JCED N#Cc1c(CCCNS(=O)(=O)C2CCS(=O)(=O)CC2)nn(-c2ccc(F)cc2)c1N 507436237 NWSYFEFCYQBRKP-UHFFFAOYSA-N 455.537 0.894 30 20 JCED CN(C)CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 516443448 ZKWILBHAMYUBPF-UHFFFAOYSA-N 485.566 0.970 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCCC(=O)OC 520755583 RBENDILLPNDDDH-UHFFFAOYSA-N 465.478 0.407 30 20 JCED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 523991804 OQTLJQZGJKRBIT-UHFFFAOYSA-N 457.508 0.867 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(-n4cncn4)c(F)c3)c(=O)n2C2CC2)CC1 553595114 DWTLTJBIJYSKLR-UHFFFAOYSA-N 493.568 0.632 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cc(OC)c1OC 604270088 PJSHMXKRHSBOAE-UHFFFAOYSA-N 488.566 0.051 30 20 JCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434360 GSMNDNHRKFCLCL-CYBMUJFWSA-N 488.522 0.653 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCNS(C)(=O)=O 608913030 OUWNLWHMIYXXIC-CYBMUJFWSA-N 478.552 0.485 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3c(C)nn(C)c3C)c2=O)c1 726581997 OQYBZGZVVSGJGH-UHFFFAOYSA-N 475.574 0.886 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cn1 729031348 GNVOZWQDUXEZST-UHFFFAOYSA-N 485.518 0.914 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 887556320 DFEDUMNHRVDNLH-KRWDZBQOSA-N 494.570 0.552 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCCN2c2ncccn2)CC1 914626350 LHJVQEKBWUYVTM-SFHVURJKSA-N 484.538 0.393 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(=O)N(C)C 918729236 FGQCIWLGLXMYSB-UHFFFAOYSA-N 476.562 0.484 30 20 JCED CC(=O)N1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1301771586 VUGYIOXKWLKRQJ-WIYYLYMNSA-N 463.608 0.474 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(N(C)C)CCC1 1303861570 GUPFGBIMCLHEPH-DOTOQJQBSA-N 450.613 0.549 30 20 JCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1503254687 MEMOZNKERJDFLG-UHFFFAOYSA-N 452.562 0.333 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1516812390 LNEFAVLFUJLFIX-QGZVFWFLSA-N 467.573 0.787 30 20 JCED COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1554807765 KKSQNUBKVXKSBX-CYBMUJFWSA-N 485.364 0.994 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nccn2C(F)F)C1 1620171130 TWWIYVCCMZZDLE-PXAZEXFGSA-N 474.469 0.693 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCOCC1 1706075822 SZIXNQUHXAYMPL-SJORKVTESA-N 469.612 0.318 30 20 JCED CS(=O)(=O)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712696570 FYFAWDPQVPFIMA-MRXNPFEDSA-N 458.548 0.537 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cccc(F)c2F)C1 1731015641 STMZMAAFRIHLNW-DOTOQJQBSA-N 482.513 0.861 30 20 JCED COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1749043729 KWEPYQLFSVTBSC-KRWDZBQOSA-N 461.544 0.546 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 1749885854 WVRWKCISHPZSMZ-QGZVFWFLSA-N 450.547 0.648 30 20 JCED Cc1nn(C)c(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1751824371 XVJMQNIXEAFBNZ-GUYCJALGSA-N 450.569 0.606 30 20 JCED COc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1770373801 TXVKDXQBNTWYSK-ZWKOTPCHSA-N 462.532 0.397 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1nc[nH]c1[N+](=O)[O-] 1778059720 KRBXKRGSNOUCMN-SWUUMBIYSA-N 464.479 0.974 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778869824 HLFPYEIHZPDHML-RUVZISDQSA-N 454.483 0.409 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779181295 ZVGIQHLXUWXKKN-IZHWHUGBSA-N 488.508 0.487 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1)c1ccc(O)cc1 1779317268 HVMZDONUEBVYLQ-LFAGZIFBSA-N 471.554 0.870 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)ON=C(C)C)C2 1779405030 PSALVCAXZKFPTO-FTFYGEEPSA-N 469.535 0.796 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1780654400 YIQKYFXNJIBWBB-WERWAAGDSA-N 493.601 0.766 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)NC(=O)OC(C)(C)C 1781051766 SHZANBIMXMXARF-ORQYLMBXSA-N 466.579 0.399 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC[C@@H]1NC(=O)OCc1ccccc1)CCO2 1783566127 YYJMLFCFZKYNES-RLSLOFABSA-N 483.521 0.999 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1783767284 ZDCTZXGIQGQJHX-VLIAUNLRSA-N 455.581 0.912 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1784506293 LOIPISZKHLXRMG-VMXHOPILSA-N 469.579 0.833 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1785424930 DQSXSBRXKGRZSA-KSFYIVLOSA-N 451.520 0.686 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccn3)[C@H]2C1 1787104785 XJYMGTQUBOWSNV-VJANTYMQSA-N 459.547 0.779 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]2C1 1788780434 ZEGTXMCIXLXHIK-HVTWWXFQSA-N 494.589 0.034 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)[C@H]2C1 1789134799 HLLPSDYAOXZVAL-ZWOKBUDYSA-N 497.577 0.671 30 20 JCED CCc1nn(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1Br 1791076123 PTLHLEIVGXTBFM-OBJOEFQTSA-N 467.320 0.426 30 20 JCED COC(=O)N(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)Cc1ccccc1 1791078139 UWOLCWNCDFMXBQ-FHWLQOOXSA-N 457.483 0.323 30 20 JCED CC(C)[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)NC(=O)OC(C)(C)C 1791185509 WBIFQIJRNNTLEC-XSLAGTTESA-N 465.547 0.994 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792557610 BDYWATYMZOHUOU-XAPVIXHLSA-N 457.483 0.185 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1792563109 KYNCWADVDBOQEP-GHOVYXJKSA-N 455.515 0.489 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1793083040 WNQAYQVZBTXMEN-DMUMMCEESA-N 495.573 0.721 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1793833661 ZUJKQPZHFSSLJZ-RDGPPVDQSA-N 468.595 0.381 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)C1 1795410027 WZBWABXINSWBEY-JPDULQBJSA-N 476.574 0.888 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1796448282 KDSRBJWIFSMDOU-XGGXLVSVSA-N 452.554 0.654 30 20 JCED CN(C(=O)OC(C)(C)C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)n(C)n1 1796510299 PPUHTOBGKXOATM-HBCWATKFSA-N 475.502 0.083 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783594 ZRFQDAKDURLXAM-RCLSDMTESA-N 493.601 0.814 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799140779 MYFVAADRYGZRES-NALHQMNBSA-N 486.569 0.170 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O)NC(=O)OC(C)(C)C 1800536621 CJBAHVPVBKRNBT-RDGCENLJSA-N 466.579 0.960 30 20 JCED Cc1cccc(C)c1N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1=O 1800773301 JIORPPSGICUDIE-QSNWEANLSA-N 453.495 0.334 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nccn(Cc3ccc(F)cc3)c1=O)C2 1801987322 XGKZBWDSEAGTFO-BCDXTJNWSA-N 452.442 0.771 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)[C@@H]1c1cccnc1 1802480114 ASHGXFXZUXUNBE-QSVKBPDMSA-N 486.525 0.441 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807142195 CXVWMKIALHVUPB-NEWSRXKRSA-N 478.619 0.697 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3c3cccnc3)c2c1 1807705403 DWCJOWHUXTVDSP-MBXLBGHASA-N 459.510 0.872 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807738204 NZOGXJDUQIXGKT-PTSWNOGYSA-N 471.539 0.591 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1807738907 XJVGYPIMYFLXNA-JXFKEZNVSA-N 499.597 0.835 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807943624 GUYGKYQVTCRXQG-XKQJLSEDSA-N 456.532 0.482 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c(O)n1 1812714428 VKCZVOVQPXSDHF-YKSBVNFPSA-N 497.596 0.907 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC3)ccc1F 1822961836 NLASEYRNPVDTOE-ZFWWWQNUSA-N 458.519 0.901 30 20 JCED Cc1nc(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)no1 1828634978 VHILBDQRXLVJBE-XMMPIXPASA-N 495.492 0.461 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1829266969 MMZYLQFRSBTXLI-SANMLTNESA-N 495.580 0.236 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830677789 UFEDJOGQPNESEU-OGJPMFGRSA-N 499.564 0.825 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1831345744 OVKAAMUMPFFIPI-HSZRJFAPSA-N 493.582 0.850 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC(=O)O)CC2)cn1 1831670124 NQGHNHWTJMVWJD-IBGZPJMESA-N 461.540 0.948 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1831998312 MMWWGHHTWHUFAZ-HXOBKFHXSA-N 477.562 0.960 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246318 BWXCLPAPCMBACE-MLGOLLRUSA-N 456.389 0.389 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCN(C)C(C)=O)CCO3)C2)c(C#N)c1 1832293824 RHKYXNIOKAYIQR-DEOSSOPVSA-N 472.542 0.434 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)CN4C(=O)CNC4=O)CC3)CC2)c1 1833678821 CWJOTRHDQPTXJF-UHFFFAOYSA-N 470.505 0.434 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)c(O)n1 1833699905 HJEWIXFXKLMJDL-XMMPIXPASA-N 496.524 0.179 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836814236 FCPGMFMEOWEZKB-QFIPXVFZSA-N 457.487 0.537 30 20 JCED N#CCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)cc1 1837077509 BBOAQQINXYDTAO-UHFFFAOYSA-N 467.526 0.917 30 20 JCED O=C1NCc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)ccc21 1837148702 AGMXFDIVJCSYGV-RCHKNJNJSA-N 466.494 0.712 30 20 JCED O=C(NCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1ccccc1 1837446826 HKFHADNQDFHSOU-JOWQQVNMSA-N 485.585 0.735 30 20 JCED N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)c1ccccn1 1837527504 NWGMROGUJJUBIH-IRLSLHJBSA-N 461.519 0.067 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531048 BESPSKUWWSKEBZ-UNTPSSOGSA-N 498.577 0.885 30 20 JCED O=C1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)N1 1837781573 DSMAIIHSDRSTNF-ZRZKVNLTSA-N 450.536 0.793 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)C3)C2)cc1 1838950325 JEJRUHKQIBWDQZ-IQGLISFBSA-N 493.520 0.635 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)N1CCN(C)CC1 1839100557 CPLCEFOQUHCUDT-LVXARBLLSA-N 483.613 0.583 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(OC)OC)C2)C1 1839130830 WOYXKPQTBYXBKG-KOSHJBKYSA-N 497.589 0.759 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)ccc1F 1839186824 PQNNOGMHEJRDET-VWLOTQADSA-N 497.527 0.844 30 20 JCED CCOc1ccc(Cl)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839347011 BNEBDTGIGGNENY-OAQYLSRUSA-N 450.875 0.897 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCCOC3=O)cc1)CCO2 1839460551 DROSXUKOOGUHTM-QHCPKHFHSA-N 471.466 0.191 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)CCO2 1839583627 IPUOFPYFQPSCFP-HSZRJFAPSA-N 460.531 0.488 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CCC5)C4)C3)cc2C1 1839622984 HCGCOKUFGZZSMV-HSZRJFAPSA-N 456.547 0.482 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1839740041 PDVXNGVOQUYSDA-KOSHJBKYSA-N 472.542 0.492 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1839842135 LVDXQOXETMDBGK-GYCJOSAFSA-N 480.525 0.853 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839887784 QSDUYLIHOONOTF-LJQANCHMSA-N 451.430 0.716 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1)C(F)(F)F 1839895180 NWJUBWPJZGQTKK-INIZCTEOSA-N 467.491 0.422 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)N1CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1840045126 RXAQOALASVSCIW-AIDSWVIKSA-N 491.541 0.319 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc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c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CC2)cc1 31220930 MYSWKRJIRLLMCS-SFHVURJKSA-N 453.524 0.835 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 515214019 NMWACKHAFKOOMS-UHFFFAOYSA-N 477.568 0.488 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C 604270493 SSVKIOQYGCDYOJ-UHFFFAOYSA-N 498.483 0.162 30 20 JCED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCNS(C)(=O)=O 608912794 DBSTZJLYHGJNHC-UHFFFAOYSA-N 492.579 0.876 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1-c1ccc(C(N)=O)cc1 726575250 HJKUAFKBSSRSLE-UHFFFAOYSA-N 499.552 0.812 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 728150324 OHPRVOSJEACWMK-UHFFFAOYSA-N 465.539 0.532 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(CC(F)F)CC2)c1 747317802 ZUPJMFGCOLBARK-QJOMJCCJSA-N 457.503 0.847 30 20 JCED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1COc2ccccc2O1 831244148 YSXONGTXDNKLIT-KBPBESRZSA-N 459.480 0.613 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1C1CC1 839376352 LAFYTHLLFRPCNN-UHFFFAOYSA-N 458.584 0.965 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(c3nncn3C)CC2)c1 918435799 VXWZRXXLFIROKK-BWAHOGKJSA-N 473.559 0.973 30 20 JCED COCCn1cc(N2C[C@H](C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2=O)cn1 1156592252 RFOBKOXTOSDDEN-UYAOXDASSA-N 450.499 0.671 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ccccc2)C1 1302484406 OTGIINDOIAILJH-ZWKOTPCHSA-N 462.532 0.419 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(CS(C)(=O)=O)CC1 1303402687 NRNZJGUNDGJAMP-UHFFFAOYSA-N 486.602 0.834 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1465744884 SRKFIOPKKISSJS-DZGCQCFKSA-N 452.533 0.866 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1519606428 LOLFWNYUADQQJE-UHFFFAOYSA-N 457.560 0.957 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1766567611 IGOKSPXMDYPGIN-XMMPIXPASA-N 467.574 0.959 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778052352 BVUHFDPGLXJLKG-OPAMFIHVSA-N 470.555 0.969 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cc2ccc(F)c(C#N)c2)C3)CC1 1778910708 AOGXXOAPEQCTNW-ZEQKJWHPSA-N 499.587 0.918 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1781046963 LZVKEBQQGQGFOL-FIQUECFISA-N 455.552 0.935 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1 1781204507 BJZKVLBYRMYFJG-HCLVMJGWSA-N 484.513 0.627 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1781380625 PRDOYJHBKCCORV-SANMLTNESA-N 488.581 0.954 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782015479 CGBULHAORKKVRG-WZONZLPQSA-N 458.467 0.454 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cccn4)nc3)C[C@@H]21 1783531612 NEYUMSCZTDDYQB-GRMGMVGISA-N 464.526 0.719 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cc(Br)ccc1[N+](=O)[O-])CCO2 1783558576 RPZOGSRAJFOPKL-LJQANCHMSA-N 480.271 0.818 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783564309 IYLVKNLXEWIZAY-MCFFVMPBSA-N 467.494 0.499 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)c2C1 1783564883 OMGAFCMUGRRGJI-HSZRJFAPSA-N 487.513 0.165 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1783992849 MSVGAIAUOFNKAM-MZRYVQRASA-N 481.594 0.323 30 20 JCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)CCO2 1784200259 OYVQJWHWJNBOOO-DEOSSOPVSA-N 486.594 0.865 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1785576560 JXTKTNJWWYVHNO-OSPHWJPCSA-N 472.542 0.954 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1786860128 VGFDDRPRIQGCCQ-BQFCYCMXSA-N 474.518 0.018 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21 1788658969 DSPHLVGCGMCIMY-TZGVCBCYSA-N 474.514 0.975 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccnc4C(N)=O)C[C@@H]32)c1 1789256346 CCRKOJPWKMTFQD-YSSFQJQWSA-N 463.494 0.968 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOCCOC)[C@H]2C1 1789950528 NUCRJVQEKIHMLT-ACRUOGEOSA-N 454.564 0.466 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H]5CCCS5(=O)=O)C[C@@H]43)c2c1 1790330224 CZUWMEZDSMPXBN-CBVHJVASSA-N 471.539 0.605 30 20 JCED O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1790654194 YHEXOLVJETZDOU-IUDWQWOKSA-N 491.501 0.265 30 20 JCED CC(C)[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)NC(=O)OC(C)(C)C 1791077628 BHXJSDHUPCRJHE-XSLAGTTESA-N 465.547 0.994 30 20 JCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc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c1ccccc1)C2 1793360918 BKUZIZRXZILEOS-AWJHCHFGSA-N 457.571 0.803 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)[C@@H]1CCc2nc(O)nc(O)c2C1 1794113637 WIBCCGGBZUYXCE-GSQAZRCSSA-N 469.498 0.294 30 20 JCED O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1795299674 HONADTYGTGTDCK-COKSGKEHSA-N 476.599 0.912 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1795598830 AWMPUBMTQLZPEI-XOIINTDNSA-N 453.499 0.306 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csc(N)n1 1795665265 DAHDQPMNJIFOSM-HLPPOEQASA-N 463.560 0.845 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1797707037 WCBYYAMCURZDLV-WTEFKJMHSA-N 460.531 0.155 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C3)c1 1798578464 RDNSJCKWGLCHCB-KOUHRCEDSA-N 473.482 0.265 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(C#N)c2)nc1 1798858641 JOYCEJKLZOEXNY-XEMDLRDOSA-N 454.508 0.874 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(C#N)c2)C1 1798863486 RQPKQFXAWDUXSN-LUYSREMJSA-N 484.553 0.989 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cc(F)c(F)c(F)c1)NC(C)=O 1799071174 WEJAPFSJMRFFBG-HMLMVRNSSA-N 495.498 0.779 30 20 JCED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)ccc1F 1800131190 STQYTLVTUZOHAG-REPLKXPHSA-N 462.547 0.608 30 20 JCED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1800495960 YGISKIUARTZLSM-RPUYLAQPSA-N 452.552 0.557 30 20 JCED CC(C)[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)NC(=O)OC(C)(C)C 1800781102 IFPIZNGZRJXQSU-QOIOWGMHSA-N 451.520 0.603 30 20 JCED COCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800907572 ANNMNZRDOZVUNP-CYGHRXIMSA-N 489.635 0.841 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2)NC(=O)OC(C)(C)C 1801931144 JOFBGPUBDMMZHM-YYAJDYIMSA-N 473.592 0.480 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1802128068 XNTBDCIYBCESKS-YNVMFWSZSA-N 482.541 0.849 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807145304 IWZLVOXXMKZQQO-UZLBHIALSA-N 499.597 0.835 30 20 JCED CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1)C(=O)O 1807206255 USXHWQIVRVMNFD-MUXPZRJTSA-N 461.519 0.679 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)CC1 1809669206 NUYRLHUXWMRDSU-IOOWSGSWSA-N 483.617 0.723 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)NS(=O)(=O)CC)n[nH]1 1815164066 IEBMYDBDLCJKEO-JMBLZNSLSA-N 466.564 0.588 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3n(n2)CCNC3=O)n[nH]1 1816623903 FZIFTKLSNMCOIF-MRXNPFEDSA-N 467.534 0.937 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)C[C@](C)(O)CC(=O)O)sc2C1 1826068303 NPBABVHUMUQCLU-LPLXUNESSA-N 450.517 0.529 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1829635584 LHZIMGIUFOVYIW-REWPJTCUSA-N 475.567 0.524 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829636392 YJULSPNKEFBDST-BJKOFHAPSA-N 473.526 0.563 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C(F)F)C2)C1 1829766093 LLHVSDJQVJHXPO-NYPGBQQYSA-N 467.473 0.286 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)cc1 1829907831 RKVZJJJAYDPKEM-XMMPIXPASA-N 454.527 0.570 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056454 ZPGRPWFHRKHXJB-SBUREZEXSA-N 480.562 0.628 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831402029 LMSBOTPZMKUGNM-YHPCMVROSA-N 467.522 0.391 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1831494101 XXMNGIUGLIUCCX-DYESRHJHSA-N 482.628 0.302 30 20 JCED Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831812311 YTBWULZXCGLABX-RGEBAEOJSA-N 463.535 0.636 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1CCCCO1)CCO2 1832345516 ZVKAHUQCOGCEHQ-QXWBZLDISA-N 453.536 0.931 30 20 JCED COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1835029901 CCLZQANDINVUPA-DEOSSOPVSA-N 458.559 0.976 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1835118909 TVWHDCVJCIZCMV-SHCNBLLESA-N 475.615 0.651 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835510142 FHBWKAVTJCYOFD-UHFFFAOYSA-N 477.650 0.705 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1)c1ccccc1 1835539310 HPDZTYDFMGLMTC-REWPJTCUSA-N 493.497 0.365 30 20 JCED Nc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)s1 1835843196 KYFSUXFIAWHHRP-OEPFNZMGSA-N 453.521 0.324 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1837403919 WEQYBLRKYCFCBD-MHECFPHRSA-N 457.527 0.824 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1837490458 FNFRWMICNKNIHY-YCFYUYSTSA-N 459.587 0.482 30 20 JCED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c(C(F)F)n1 1837528178 ABNAXYNQHGBGGY-URXKYKMRSA-N 485.488 0.957 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1837529917 GXOCDFLWLNPQNA-IFXSCVBMSA-N 492.485 0.899 30 20 JCED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)no1 1837531075 BSTRXNJYMCEVST-XTSMJKTBSA-N 450.492 0.836 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)Nc4cccnc4)CCO3)C2)c1 1837632407 PTENRJGQUTZBPG-XMMPIXPASA-N 463.494 0.970 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837647522 MUMWETBGGMEWHC-MWTRTKDXSA-N 478.513 0.432 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839073621 QGOAAFPHUGFTNK-NHMXVPMISA-N 481.594 0.828 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)c(C#N)c1 1839131964 KMXLWBWSTWXDDE-ZCYQVOJMSA-N 479.537 0.661 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)c1 1839451675 INPWZSVWYJHOJV-DEOSSOPVSA-N 478.509 0.190 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)n3ccnc3n1)CCO2 1839550451 KJGYZVAKLNCXFP-HSZRJFAPSA-N 471.514 0.617 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1C(=O)N(Cc1cccs1)CC3)CCO2 1839620259 GWGDCNIBBUGMFH-QHCPKHFHSA-N 498.565 0.584 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1840088844 DNMCYTKFGWRTHR-UZUQRXQVSA-N 483.562 0.865 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840159817 OHEAPVNOYPDJGH-LIRRHRJNSA-N 457.574 0.015 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1)c1ccc(O)cc1 1840222093 DBBKBAMPCOLOMK-QTISVLPJSA-N 483.565 0.966 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c(C(F)(F)F)n1 1840607671 VBLFHTATJKDRSP-WCLQXYBISA-N 480.443 0.934 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1840907447 VKOMVIJNRMEWNG-MBSDFSHPSA-N 475.546 0.256 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(OC)OC)C1 1841487465 HLADDSXHHWDPJE-OAHLLOKOSA-N 484.550 0.614 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842946648 VXOVVGODKDLVKJ-CVEARBPZSA-N 451.568 0.642 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)C1 1845835559 KYTRFGAZAFSTMH-QGEPZOCXSA-N 452.555 0.684 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NS(=O)(=O)CC 1847788562 FZBWAYHWBBCXSG-QZWWFDLISA-N 470.592 0.433 30 20 JCED O=C(O)C(F)(F)C(F)(F)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(F)(F)C(F)(F)C(=O)O 1848011954 PLSTXMSJQAACHL-WDSKDSINSA-N 456.242 0.899 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(CC#N)cc2)c1 17183190 XJPNCCXOAOPWHC-UHFFFAOYSA-N 458.496 0.915 30 20 JCED CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 515923797 GLOFXNIHPSTYIG-UHFFFAOYSA-N 475.592 0.475 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1 617739840 GLCSSEHSGDMHRR-GOSISDBHSA-N 461.544 0.814 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 729030780 GPKYQANKFVPJLB-UHFFFAOYSA-N 458.452 0.661 30 20 JCED COC(=O)CSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 729885412 WWCSZKIYQSTFNE-RCCKNPSSSA-N 456.546 0.460 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 918930090 GYFDJADWSWCIDP-GOSISDBHSA-N 490.582 0.908 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 919319183 VMAWLPFRFBBSRH-UHFFFAOYSA-N 459.480 0.594 30 20 JCED CCS(=O)(=O)N(C)C1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1293210155 KTNFYHMPXOIJML-AWEZNQCLSA-N 456.590 0.776 30 20 JCED Cc1cc(NC(=O)CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)no1 1361105651 RODNWVAPVNWFFJ-UHFFFAOYSA-N 477.529 0.962 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O 1503438069 RZRCJJCGUSNLKG-UHFFFAOYSA-N 453.503 0.954 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1504888730 ZOCJRPJJCWDVNY-KRWDZBQOSA-N 481.600 0.998 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2=O)cc1Cl 1565963801 ZQPZAWBJSWPSCF-SJORKVTESA-N 459.934 0.614 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1615881550 XNNOUMRTPUWRMI-GBESFXJTSA-N 465.624 0.183 30 20 JCED N#Cc1cn(CCC(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c(=O)nc1O 1631073504 BEERMDMPRDCYCJ-ZJUUUORDSA-N 455.315 0.811 30 20 JCED N#Cc1cccc([C@H]2CN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CCO2)c1 1633294133 JKWQXWGQYGPWAD-HXUWFJFHSA-N 454.508 0.892 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(c3cnccc3C#N)CC2)c1 1637909577 UBQUDKFXINRAJG-UHFFFAOYSA-N 458.544 0.494 30 20 JCED CCN1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1695843688 RRUQROKXGULULH-ZWKOTPCHSA-N 451.597 0.835 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CCOC)c2)CCO1 1767714177 YULBNGOUVWXKHF-LJQANCHMSA-N 450.503 0.659 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1771361697 ODKITULGTLBTIK-QGZVFWFLSA-N 473.559 0.479 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779543522 UVESDRWITRVBHW-QGZVFWFLSA-N 454.268 0.871 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780332860 GXPFHWCXITVCQR-ZHRRBRCNSA-N 460.535 0.572 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)c1 1780333778 FBYZYGOZLCPAJW-NRFANRHFSA-N 454.512 0.235 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1782647821 ZZSRSFIGNLMBQV-NRFANRHFSA-N 455.544 0.362 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cc(F)ccc4n3)C[C@@H]21 1783530922 VFPIZBMJVJLDEY-RVKHQLRBSA-N 455.490 0.925 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1783687061 PQMIICRXMWCEMI-DEOSSOPVSA-N 493.532 0.837 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1783835312 FBVLDWKQHJCTCK-KKSFZXQISA-N 486.591 0.448 30 20 JCED CC(C)(C)OC(=O)NCC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CCOCC1 1784323203 GBFCCIHMAOTRDH-BZSNNMDCSA-N 493.557 0.376 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784597369 LBGFOTIEHQGMQD-IEGUWTFLSA-N 489.577 0.761 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1785424933 DQSXSBRXKGRZSA-ZHRRBRCNSA-N 451.520 0.686 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785541702 YQPFFJDBLUBHMA-LKQKOTCASA-N 453.590 0.148 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1785596633 PCSICLHGBLYWDA-URZJWIJPSA-N 460.535 0.577 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1786675937 PDLHTWKQIAZSDR-KNJMJIDISA-N 490.601 0.942 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1)C(F)(F)F 1788111046 HXLBHZGOEUBAAZ-JYJNAYRXSA-N 467.510 0.756 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1788631544 MMPLDYQCAUKIBS-WSRJKRBPSA-N 476.599 0.467 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 1788659818 UIDHGOHBOUFPFC-UWDOHLRBSA-N 456.503 0.852 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)n3nc(C)ccc3=O)[C@H]2C1 1788731552 PGQZCYUHTIYDOA-VJANTYMQSA-N 460.575 0.840 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4sccn34)[C@H]2C1 1789138687 POYGDRFTWRSXNW-OTRWWLKZSA-N 460.556 0.922 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906416 ULJXQPOCULWKSK-QQDKQVRDSA-N 465.547 0.900 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145500 MNNPVENRDUMVOB-CAIZAGQASA-N 463.556 0.597 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1793593809 VRHGTZWKAGOASU-YYAJDYIMSA-N 476.530 0.758 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN(C)C(C)=O)C2 1793593998 ZNARRKOHKAJLKY-AJYBTWMASA-N 466.579 0.914 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795417813 DWOUMTOYQBKPNE-OYNZLANYSA-N 450.536 0.498 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)ccc1F 1799326988 NFAAKCNHJMWNAD-FAQVEIGNSA-N 483.456 0.600 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O)C(C)(C)S 1800518641 CJBIJORQVLQUAL-DLTLXFJOSA-N 472.608 0.443 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC 1801205268 VFLZHISDWKFWSO-SFNKJDCFSA-N 480.562 0.629 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801993229 MIQDASAAMTWCGB-LXTVHRRPSA-N 451.476 0.169 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C 1802159581 HHQXPOJGCDQVSN-RBGFHDKUSA-N 487.623 0.236 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1802188787 STWQGGFZGOEDJC-UPHUGPLXSA-N 462.547 0.069 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1804186053 GTOWLWKCIOZCDT-GRDWHNLYSA-N 472.502 0.168 30 20 JCED N#CC1(C(=O)N2CC[C@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2c2cccnc2)CCC1 1804197208 UCXTXZKOKKCDQA-UYAOXDASSA-N 459.572 0.512 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810246108 SJPLAVLBOLGWLI-KGVIQGDOSA-N 454.527 0.976 30 20 JCED CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1)C(=O)C(=O)O 1828950137 RKGJVRBRAXWAHF-LJQANCHMSA-N 461.559 0.848 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1829263372 YCPVZMYXZZSRGW-LNZPYGSCSA-N 497.577 0.874 30 20 JCED CCOCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829403977 OMQNMGNYHXWQIB-XMMPIXPASA-N 471.510 0.953 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(=O)N(C)C)C2)C1 1829461085 JYAUUYPWRAUVFT-XMMPIXPASA-N 454.527 0.940 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1829854413 LDCMBGGUMQVQQN-LLQXBFRMSA-N 463.556 0.858 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1830184091 GTKWENYWRXMLCK-JOCHJYFZSA-N 472.523 0.674 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1830344435 KBAFBMWFRRFHNO-FQEVSTJZSA-N 453.580 0.402 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1830573827 RBESFRXDSBBCMN-HTAPYJJXSA-N 453.536 0.132 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209272 UMWMTRDLRBSTLR-WZONZLPQSA-N 465.547 0.132 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1831401945 JZTBZLCTJWFBPY-RRQZXNHTSA-N 491.585 0.738 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1831485562 XJDAKIBQNJUZIS-PXNSSMCTSA-N 471.601 0.510 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832101186 MWKKIDRMMMVTHS-YCRPNKLZSA-N 461.544 0.136 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832205776 QWYKNGZZTFVXBL-RUZDIDTESA-N 481.553 0.586 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C(=O)c5ccco5)CCO4)C3)c2c1 1832668191 BZXQWURDKGWTCN-QHCPKHFHSA-N 463.450 0.980 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CC2)CC1 1833466352 APSSPRVPHCUZGC-WIYYLYMNSA-N 494.633 0.872 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CCC(=O)N4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1835127553 IQBBPRPBBWDEEC-XFAGBWLFSA-N 492.573 0.287 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1835359890 NJBHLIZCUHLGPD-OAQYLSRUSA-N 456.459 0.052 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)CC1 1835402724 PYUZBYUBWYEYCA-XMMPIXPASA-N 455.559 0.266 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1835672634 FPYNOQBEADSNDH-HXUWFJFHSA-N 450.927 0.482 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1835673954 BZMHMCCIGAMBFA-JOCHJYFZSA-N 455.519 0.310 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1835844380 GCNQANAKTHASPC-JOCHJYFZSA-N 476.618 0.408 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(C(F)(F)F)cn1)CCO2 1836375182 TZLZFRZTKMURRI-XQQSMPNESA-N 483.447 0.424 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)ncc1[N+](=O)[O-] 1836552574 OLMCOHFWNPSJFU-PHBSZKRHSA-N 491.501 0.897 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837112587 HVCFQXJTPOOXRE-HBAGGBEISA-N 454.531 0.876 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Br)cc3cn[nH]c13)CCO2 1837140869 JONFTTHFWYBUQN-HXUWFJFHSA-N 491.298 0.483 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1837396564 JGYGCNLNEYFGMS-PGRDOPGGSA-N 462.503 0.941 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837655946 HMSRMIZBGYWSNY-QFIPXVFZSA-N 464.588 0.662 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838569292 XDCGMRGCIIFLOJ-BTYIYWSLSA-N 452.529 0.224 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1839072843 HZUQEPYRIAOFNC-VGOFRKELSA-N 455.552 0.947 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839073895 FWXQFHNHJNWPOS-QFIPXVFZSA-N 461.519 0.870 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)ccc1F 1839186216 HEUOKXXCXQSOMK-OAQYLSRUSA-N 463.535 0.713 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cc(OC)c1)CCO2 1839254345 RBZDFNWJBHASEN-VRWDYKOXSA-N 457.527 0.932 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)ccn4C)C3)C2)c1 1839453091 NVNPNSWQYWCCHI-DEOSSOPVSA-N 450.495 0.949 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839636874 QVVUDJNUWHUVKA-HPVHBOIKSA-N 482.585 0.681 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N(C)CC)CCO2 1839644998 VJGDUUXGXMTECQ-AXHZCLLHSA-N 480.606 0.700 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1cccn1 1840445409 UNWCRKRRDUANPT-WZONZLPQSA-N 453.499 0.851 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840445935 VCGKQRLSXURIFP-QFIPXVFZSA-N 457.918 0.830 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840571907 WNJHQUIHGPDANZ-CPJSRVTESA-N 492.617 0.701 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840796240 BOXSSYXOVLFQSJ-DVECYGJZSA-N 496.605 0.829 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812400 OITOKOPRJDUEIC-ZHRRBRCNSA-N 466.535 0.022 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814993 PUDRBKKPMCDZDJ-SBUREZEXSA-N 480.562 0.412 30 20 JCED Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 10453376 UAZXUNORVXZVSY-UHFFFAOYSA-N 454.516 0.271 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 32684284 VWYBKJBHTTVTJK-UHFFFAOYSA-N 454.555 0.343 30 20 JCED COc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 495408934 NGPVXTRRZJXMET-UHFFFAOYSA-N 479.540 0.753 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1CCOCC 522277910 URQUXUOKMILXPB-UHFFFAOYSA-N 455.536 0.913 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 523735636 LUEZDTCSWOQPGR-UHFFFAOYSA-N 458.496 0.216 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1-c1ccc(OC)nc1 524234268 DQUZTLVKCGLFOJ-UHFFFAOYSA-N 456.549 0.938 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cc1 550106088 BBTVQUFKVWBJJI-UHFFFAOYSA-N 462.487 0.323 30 20 JCED Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc12 604162715 VKBGOVPTMBCNTB-UHFFFAOYSA-N 467.511 0.620 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(F)(F)F)cc2)c1=O 604270161 QFYFGCAVLFQUGB-UHFFFAOYSA-N 464.469 0.798 30 20 JCED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)cc1C 604270372 NOQKZTDZBCCEPG-UHFFFAOYSA-N 468.579 0.285 30 20 JCED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 609437566 HGHUFEFIOFHZKZ-INIZCTEOSA-N 481.600 0.741 30 20 JCED COc1ccc(OC)c(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C)c3)c2=O)c1 726578071 UDCPWWHYXJZKDZ-UHFFFAOYSA-N 451.508 0.431 30 20 JCED CCc1ccccc1NC(=O)CNC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 749006567 WKVBZKMQEVNOKV-UHFFFAOYSA-N 458.496 0.697 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 769632649 FJBBDIVCWDRJMG-UHFFFAOYSA-N 487.494 0.637 30 20 JCED CC(C)CN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 769641410 OGRKEUFECWEXMV-MRXNPFEDSA-N 471.557 0.051 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1cccc(NC(C)=O)c1 917792192 XHYACOZGZYQUTR-UHFFFAOYSA-N 483.575 0.888 30 20 JCED N#CCOc1cccc(NC(=O)C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 918314353 VUURANXRKLVEBX-UHFFFAOYSA-N 452.496 0.941 30 20 JCED COCCN1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 920787885 ZGZIMJVFLPUVOM-LYBHJNIJSA-N 465.576 0.665 30 20 JCED C=CCCO[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 921218396 ICAOMHUJIKCNON-HNNXBMFYSA-N 455.489 0.952 30 20 JCED C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1303696428 PDBVTQVXGRUTTM-AEFFLSMTSA-N 460.560 0.798 30 20 JCED CN(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1503385951 IRCHWZOGYJGBFV-SJORKVTESA-N 467.596 0.214 30 20 JCED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1=O 1519198300 XIPKIGVDBOOLKA-HKUYNNGSSA-N 472.571 0.935 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1CCOCC1 1541942867 LUBAXCICAIWISL-INIZCTEOSA-N 474.591 0.908 30 20 JCED Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1618495949 ZPLWDWTWHLBKDL-MRXNPFEDSA-N 455.548 0.759 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1619913087 UIRXYOOELLZFPX-MRXNPFEDSA-N 473.621 0.904 30 20 JCED CC(=O)N1CCN(c2ccccc2CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1654277521 NQSJRELWPUXWOH-UHFFFAOYSA-N 455.540 0.821 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1692786582 VPCRSIBNTDQDFY-KUHUBIRLSA-N 484.579 0.923 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)N(C)C 1692796547 PENRMOMLQWQGGW-CVEARBPZSA-N 461.596 0.432 30 20 JCED Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c(N2CCOCC2)c1 1707493533 ZDOBBQAKGJKUJC-HKUYNNGSSA-N 489.602 0.810 30 20 JCED CNS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1711424629 QDAMAPLXUQMZLX-LJQANCHMSA-N 473.603 0.798 30 20 JCED CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 1728635180 ZLYILNUUHNTRKA-OAQYLSRUSA-N 466.590 0.796 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1730764539 ZKYYAWKXHYAEEA-INIZCTEOSA-N 456.569 0.283 30 20 JCED CCNC(=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CCC1 1767194296 TVCVVEXBQPZOPU-HOTGVXAUSA-N 467.596 0.513 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1769088178 OSJKUPOYDHFENO-INIZCTEOSA-N 488.618 0.859 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1779104348 JHZXKQSFEHABRV-YKABMDOLSA-N 458.475 0.407 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779423062 CFUFSMPOMFYZII-QRTJQILJSA-N 450.536 0.720 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)[C@@H](O)C1 1780334629 YLSFZOBRVBDFOM-CEXJFXJFSA-N 473.530 0.558 30 20 JCED CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)/C=N/O[C@H]3CCCCO3)C4)CC2)CC1 1780652529 CHVDAXSQJORQNQ-WDKVZNBBSA-N 491.633 0.809 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1781269668 FSWYKAHITKTTOF-HXOBKFHXSA-N 483.562 0.601 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1781271265 HUYISYRNHVFKTD-RZPFDVGOSA-N 485.581 0.961 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781352052 WYODGAIEZBQQDC-SBUREZEXSA-N 481.594 0.374 30 20 JCED Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)c(=O)nc1O 1781976738 RECXRTLYWPLKFU-QFIPXVFZSA-N 471.901 0.926 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C13CCN(C(=O)OC(C)(C)C)CC3)CCO2 1783056014 KJAHGKAQZHBLNW-SBUREZEXSA-N 474.558 0.213 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(F)cn4n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c3cc(OC)nn3C)CCO2)C1 1785573134 RCRUBSQCPSPFKC-HJPURHCSSA-N 475.546 0.789 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1785623224 ASBQHOVUJPAERJ-ZHRRBRCNSA-N 480.566 0.462 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786705144 HWCSORVZNCRVSN-XSLAGTTESA-N 494.593 0.612 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21 1788658968 DSPHLVGCGMCIMY-GGIWEXCQSA-N 474.514 0.975 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nccnc4C(N)=O)[C@H]3C2)c(C#N)c1 1789093480 WKWWDDMNXONZQS-SNRMKQJTSA-N 478.509 0.292 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)[C@H]2C1 1789774397 DFCKRDFYQZCLSU-ILNCAHHFSA-N 491.585 0.783 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1791266987 OORNVCUCMHJHAU-RVPHFEHCSA-N 457.593 0.656 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)cc1 1791392405 IVRKDAVKZJWFET-UFYCRDLUSA-N 450.495 0.396 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C[C@@H]21 1792172009 HTUVGPUABBGBGC-FSGKZVOOSA-N 463.575 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sc3nccnc3c1N)C2 1792488829 YMEWAVINWVVCMS-CYLMYCJOSA-N 456.528 0.335 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCc1ccc(OC)cc1)C2 1792490465 ZDCKMEKKRJWAPP-KALPFLKPSA-N 457.527 0.660 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1792830992 HFAFAMDRYZHKAS-OPMZPASUSA-N 462.510 0.334 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1793389627 WZMIZSCSAYTEMM-AUOOEQCUSA-N 472.608 0.299 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O 1796321238 REZUPARJKJAVLB-PJVZLEMVSA-N 493.605 0.720 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798493716 HNYLEATYTPCRAR-CXPHAPSRSA-N 453.492 0.648 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1799321807 LVFVTBMGKBZELP-ZMMAXQRCSA-N 478.594 0.275 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)c1 1801764973 GSEVLQWSGWSQEY-RTNRFSENSA-N 450.495 0.832 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1801989356 LIXLLKMJFNNKPQ-PPSDVSMJSA-N 493.520 0.533 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cncn1)C2 1802125921 CIVWCMDMANKGEJ-AVEIZBFRSA-N 460.535 0.345 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1802480105 AKVNHEZUIIMGCV-UCMHMESESA-N 452.519 0.279 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804198673 QCYMSJZWZARFAB-SIKLNZKXSA-N 492.598 0.327 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811192604 WIOXUPMBEPRSSR-OXJNMPFZSA-N 466.498 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1814034990 BECMNVHYYHDHPM-OTVNPASYSA-N 480.525 0.217 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814985229 ATSMETIVIRQVAB-RHSMWYFYSA-N 486.602 0.807 30 20 JCED O=C(CN1C(=O)CNC1=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1815597818 WKPYOVQHTOSJEB-OPYYKXCYSA-N 461.479 0.483 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1819452249 HSAIFVJZUYZEFS-PHJHEXBDSA-N 472.439 0.656 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825663937 MSMHKOUYHRMVTO-NSHDSACASA-N 462.509 0.397 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825669868 UYDUVQROIAXCMJ-LBPRGKRZSA-N 466.516 0.684 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990871 XRDVBNRYFJFFIH-XAEMIUIASA-N 491.614 0.350 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCN2C(=O)OCc1ccccc1 1829018340 SOMKKZSDQQRZDJ-QHCPKHFHSA-N 465.514 0.539 30 20 JCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1)C(F)(F)F 1829051232 YGJHBHHDULTODY-UWJYYQICSA-N 483.491 0.843 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1829763798 BKPOGNOZXHNLRY-CDFDFNMFSA-N 463.560 0.094 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)ccc1F 1829956439 NCLIIAXRUAIYOZ-GAJHUEQPSA-N 458.490 0.222 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1830778719 JBKBWOSKDNUZDE-FVJLSDCUSA-N 485.628 0.437 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnc1)CCO2 1830987005 ISDSPORRLBHULA-AXHZCLLHSA-N 489.573 0.817 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(N(C)C)c3)C2)C1 1831397306 QNIXQZBNTJAJGW-HOYKHHGWSA-N 459.543 0.870 30 20 JCED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834569794 VBFVIIHVKAKCSN-UHFFFAOYSA-N 453.605 0.301 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1835677686 UFFQSAQXAGXITM-DEOSSOPVSA-N 466.542 0.982 30 20 JCED O=C(O)CSCC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732520 FXNCEIYYJOUELM-HYARGMPZSA-N 453.609 0.848 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)cc1 1836130879 UMPGLJHYDHUVLW-DEOSSOPVSA-N 466.494 0.846 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1837304302 BOKQIWIOXRCHIZ-UGKGYDQZSA-N 469.604 0.637 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1837443466 BNCLJIROFIURKY-ZDDFAFCGSA-N 485.541 0.649 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1837446814 HDCODIYBEPEFET-ABBHQSEISA-N 462.522 0.860 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1837483710 XQIHQLHPSVWAPL-VGSWGCGISA-N 461.519 0.243 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1837490592 HZVGDHMMYOVOPQ-OAQYLSRUSA-N 461.475 0.087 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1837490741 MTKIEXGNEGJUNR-JOCHJYFZSA-N 462.934 0.899 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1837493758 VZDOSFSMYZUVRB-JVPDDCAZSA-N 454.527 0.645 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837532768 GCPGZDLEHJGDAS-VBXVAZGESA-N 453.536 0.523 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc(O)[nH]4)CCO3)C2)c(O)n1 1838063567 ONEHMYPAZXSXRR-JOCHJYFZSA-N 457.487 0.718 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c1 1838503490 XGNVFZWCJAIUCQ-DEOSSOPVSA-N 492.467 0.484 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)cc(OC)c3F)CCO2)C1 1838549080 BNLHPKJOVLLCDZ-HJPURHCSSA-N 464.490 0.951 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)cc(OC)c4)CCO3)C2)CC1 1838584848 JQUMMQCYLYPEMU-HSZRJFAPSA-N 471.510 0.980 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838599340 FKVNSVHRKYBPDG-YADHBBJMSA-N 479.917 0.897 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)N1CSCSC1 1838738177 VFLCTDUDGSTISZ-MGPUTAFESA-N 465.601 0.999 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccn(C)n4)C3)C2)c(C#N)c1 1839131967 KOYWUFMQMDIUCP-DEOSSOPVSA-N 467.526 0.542 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1 1839184717 AFGUALRKQRVFBX-HTAPYJJXSA-N 455.552 0.949 30 20 JCED Cc1cn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)c(=O)nc1O 1839363969 FUMGFHBJQDAFEE-DEOSSOPVSA-N 481.509 0.094 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839419583 JOEFOWFZTWOLFL-FQEVSTJZSA-N 453.492 0.202 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCO2)C1 1839481853 BSUUGQOFRURBOW-IVZQSRNASA-N 471.470 0.579 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)[C@@H](F)C1 1840039863 IVSAELJZGRACNP-SAHWJRBASA-N 497.520 0.126 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840174714 UDULVFHJBIHNHV-GSHUGGBRSA-N 453.536 0.247 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)n1cncn1 1840417999 MANOWOYMRUKWNM-HNDWEXJHSA-N 459.528 0.796 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(CC)COC3)C2)C1 1840908850 ISNSOAZCDSUYEL-KOSHJBKYSA-N 479.574 0.786 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1841746609 UUDAHSGZHKYBMJ-CYBMUJFWSA-N 472.506 0.099 30 20 JCED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CNC3=O)C2)ccc1Br 1841848572 YFZKHZZMOHPHJB-UHFFFAOYSA-N 460.288 0.690 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843007989 KNTGCOVWJRPIMB-CQSZACIVSA-N 471.518 0.704 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 25965025 FMNDZRWKEREKBR-UHFFFAOYSA-N 462.459 0.179 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c1=O 500520936 QVMIKLHKUHSPBN-UHFFFAOYSA-N 472.523 0.989 30 20 JCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CCN(C)CC2)c1=O 516827446 MYPWMPZCDLCSBS-UHFFFAOYSA-N 495.649 0.436 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)ccc2C)c1=O 603792714 JGFQNODNDNCTCR-UHFFFAOYSA-N 452.580 0.664 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC(F)(F)F)cc2)c1=O 604270466 QIIUBQDZFNONDY-UHFFFAOYSA-N 480.468 0.678 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCS(C)(=O)=O 729670912 AWXBKBLLHILOKW-UHFFFAOYSA-N 471.963 0.776 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCOC 747081246 XNVTXDJGEYXHEZ-UHFFFAOYSA-N 453.467 0.423 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccnc2N2CCOCC2)CC1 755316035 UGVOBWPAWSDZDY-UHFFFAOYSA-N 499.549 0.480 30 20 JCED Cn1ccnc1[C@@](O)(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 818650509 FKEDBRZHCPDZFT-SFHVURJKSA-N 471.461 0.965 30 20 JCED C[C@@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)Nc1sc2c(c1C#N)CCC2 856407739 AATLBFMCNRHKPX-SNVBAGLBSA-N 456.484 0.426 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)ccc1F 915611756 VFUJEAXTUFPEHB-UHFFFAOYSA-N 496.542 0.663 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2CCOC)CC1 916199259 DLBUWGYNXQCBHB-UHFFFAOYSA-N 471.539 0.132 30 20 JCED CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 919757646 RGECQEWWEIJZFW-CYBMUJFWSA-N 450.542 0.901 30 20 JCED COCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920106947 KFAKPMOZSXEYHB-YOEHRIQHSA-N 452.489 0.857 30 20 JCED C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 920731033 LJMCGFUEKZJWBO-UHFFFAOYSA-N 468.528 0.817 30 20 JCED COCc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1315857937 ZEYSMYKFFQEKDA-RTBURBONSA-N 476.559 0.534 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539803666 KWKXEZDKPIKALM-APWZRJJASA-N 485.998 0.849 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCN(C)C)CC1 1541803664 KRIBBSBNXXDBOF-UYAOXDASSA-N 496.682 0.623 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CS(C)(=O)=O)CC1 1541803824 NCKNAOSIZHYFQJ-GJZGRUSLSA-N 474.609 0.174 30 20 JCED CC1CCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1544521634 TVWRYUMTIAGZGI-FXAWDEMLSA-N 469.587 0.785 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@@H](O)CN1CCOCC1 1587655158 WTCODPPWJDUFIA-AEFFLSMTSA-N 452.577 0.291 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1610271108 OXMUSEOTTRLAPD-UHFFFAOYSA-N 488.618 0.355 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1611678260 DNLQKSPIOAQYST-AWEZNQCLSA-N 458.610 0.986 30 20 JCED COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1619607388 NWCGYRRPWPVPBL-IBGZPJMESA-N 478.575 0.862 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCCC2CCOCC2)C1 1698314003 UJBQQKSXGAWSKK-MSOLQXFVSA-N 468.580 0.547 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1710013590 PDOYNVJXTMCHMF-MDZRGWNJSA-N 457.576 0.783 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1710295864 OOPKQBDKEOMMKB-WFXMLNOXSA-N 467.615 0.896 30 20 JCED CC(C)N(CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1723536298 KQGBGLXMXKATFD-RTBURBONSA-N 483.639 0.849 30 20 JCED CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1723732332 VXHGTTGLJOWFJU-HSZRJFAPSA-N 488.614 0.913 30 20 JCED COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1729779579 WNNGINIFNHMCML-QGZVFWFLSA-N 474.543 0.764 30 20 JCED COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1=O 1749865884 OMKHJJCHLUVZSF-SFHVURJKSA-N 488.570 0.458 30 20 JCED CC(C)(C)[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1760808584 XYWQNXPELJBURQ-CBQLCPETSA-N 476.600 0.600 30 20 JCED COCCN1C[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1769886337 VVCLHGXXOYPGES-HOTGVXAUSA-N 473.559 0.493 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c(C#N)c1 1778832987 QLBJEASCEWADKB-WNWNSBFKSA-N 452.511 0.774 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778834617 QDJIMTMBVCAKDZ-GKNRWODDSA-N 474.558 0.568 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)cnc2c1 1779102312 VAZYIDNMCSOGFB-MUZGUSJISA-N 483.525 0.975 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104483 ABNAVAWACIALMX-ZBWFQAOJSA-N 471.551 0.415 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1)[C@H]1SC(=N)NC1=O 1779362921 WNZJFFYGEZRNLE-JOPJTGFGSA-N 478.619 0.774 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)c1 1780933814 AYYNCBVDRLXLEZ-OAQYLSRUSA-N 454.512 0.235 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1781310210 FAPKRIPCQPTZIJ-WZOHSFFVSA-N 484.553 0.824 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1783466010 UGXOQVOOULUGGN-APLYEEPTSA-N 461.559 0.968 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1)CCO2 1783557373 FZZBCVUZRZQTON-MBSDFSHPSA-N 457.458 0.348 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783605659 YFODSTSDWVOLOI-CMOCDZPBSA-N 471.510 0.575 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)CCO2 1783889412 IPKWTIDDJCDLFD-ZSDSOXJFSA-N 486.639 0.291 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)NC(=O)OC(C)(C)C 1784118804 HIHFZPFAGCLUKD-MZNJEOGPSA-N 490.557 0.601 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784196009 WAVHTHMLDYXPCL-VMXHOPILSA-N 469.579 0.833 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[C@H]2C1 1784604826 PYYADYVPGQCPSN-CSNNDUIRSA-N 478.590 0.947 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=S)NCC)C[C@@H]21 1784785173 HPDRXUSMOGJNFR-FJIDUMEYSA-N 497.662 0.920 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1785572364 NGPMJZKHFHAZLS-IVZQSRNASA-N 459.503 0.542 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)Cn5ccccc5=O)[C@H]4C3)c2c1 1787017354 CCPWJFOQZNWTCW-QRFRQXIXSA-N 460.494 0.890 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C[C@@H]21 1788521160 FCFPRFDFLDIDCJ-VJANTYMQSA-N 498.584 0.182 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1789839451 WWKRGMDYMLNMQJ-OYSTVDSJSA-N 492.573 0.771 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1789935419 YQSQQEKMWCNGRY-RDGPPVDQSA-N 495.621 0.524 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079627 WARQTGMCPPFMIY-DAWKRRPCSA-N 461.515 0.524 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)c(F)c3)[C@H]2C1 1792072678 WHEXEQPKQTWAEC-WMEZAQDKSA-N 466.531 0.861 30 20 JCED CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1792866463 RBOMOWJWYQDAJZ-XMTFNYHQSA-N 464.563 0.888 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792901942 CJLRUYNEOFETFR-FCGDIQPGSA-N 472.542 0.943 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](N)CCC(N)=O)c(C(F)(F)F)n1 1795975246 DBXQJPFFTMEDCY-XFMPKHEZSA-N 452.437 0.817 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1797740902 BKBRTNMQRREFPN-COKSGKEHSA-N 476.599 0.912 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2 1797811746 USPJSPMUMYNJFB-LKROHBFQSA-N 456.543 0.820 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799325941 ASQSBQDGPIBTRK-JSJNYSNDSA-N 476.505 0.673 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)OC)C2 1800980692 DBCABBWUTAYETK-JCECYMMASA-N 498.577 0.416 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N)N1CCN(C)CC1 1801991841 ZDRZJZGYWSPQDA-OYWYANMWSA-N 455.559 0.163 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1803034496 GYDXYLNBEGZLLK-GJYPPUQNSA-N 460.487 0.061 30 20 JCED C=C(C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1)C(F)(F)F 1807025832 MKPHNFNDZYUITB-HIFRSBDPSA-N 450.354 0.931 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1807146355 XNSDNPGCEKTYRI-FPOVZHCZSA-N 490.630 0.795 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)cnc2c1 1812877499 MHPGYJGXBHBMKI-VGOFRKELSA-N 459.462 0.806 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1812878888 NBQWOIYYXJLXMO-SBUREZEXSA-N 459.462 0.968 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCNC3=N)C2)C1 1828515347 WAQJZWLLNQNAKJ-VWLOTQADSA-N 495.584 0.828 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628614 QYDYYEFDQOZFNF-HOYKHHGWSA-N 456.543 0.862 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1829759656 KVFQLWTXHMPKFJ-IQMJAMCRSA-N 466.538 0.806 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1830053053 FKJYPHRTEDXBKN-HSZRJFAPSA-N 456.499 0.991 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)c1ccccc1 1830408417 GCIPODVUSLJVPA-JPYJTQIMSA-N 456.499 0.844 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1831404596 QUNBMJMNGNJENA-DVECYGJZSA-N 499.605 0.701 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1831431962 IGDWLMCQXYXGDF-MHECFPHRSA-N 476.526 0.497 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831451639 HQQSWUKEMBBKJO-FDDCHVKYSA-N 477.583 0.628 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832356865 HVRFHZSGMKJWCT-VFOQMXGYSA-N 489.617 0.706 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)no3)CCO2)C1 1832574951 GOZKUEPAMAXYAB-DVECYGJZSA-N 490.557 0.899 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)CC2)CC1 1833467947 DVMMDPUFMZGRCP-LJQANCHMSA-N 471.602 0.897 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834177513 NQCNGCLOTJLYSI-DQMJNTIXSA-N 489.573 0.960 30 20 JCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1834518073 FUJWSQIDRWWTCX-FQEVSTJZSA-N 451.527 0.208 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835351667 ZZPBPUIANVJITR-HYBUGGRVSA-N 494.610 0.662 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835494159 JRFLOAIPWNYRKU-FDDCHVKYSA-N 455.515 0.928 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1835677415 HXAYJQXCIBGOPB-DEOSSOPVSA-N 481.557 0.824 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835716114 XJHJRNSUCXDGIH-HXUWFJFHSA-N 484.663 0.557 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccn(C)n4)CCO3)C2)c(C#N)c1 1836062517 SBNQXEMKXDYMCM-DEOSSOPVSA-N 467.526 0.542 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(-n4c(O)nnc4O)cc3)CC2)CC1 1836131873 YMOGEFIHRFEGSN-QGZVFWFLSA-N 496.568 0.902 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1837393435 RHSDQGLHMRKWPY-VGOFRKELSA-N 477.587 0.671 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)C(C)(C)C 1837524880 IGKUKKIYZWARQT-XMKLJEJWSA-N 482.578 0.523 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1837527334 LOBYEKPHIGYYKZ-HSCPNVOASA-N 466.579 0.848 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1837528215 BKPRZHUZWDJZRP-XCUVTCGESA-N 471.514 0.933 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837658914 FFSRBVOIZRUQKO-WZONZLPQSA-N 477.562 0.544 30 20 JCED COc1nc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838173365 DVOKELKRBLKDPR-QHCPKHFHSA-N 459.547 0.751 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CCC5(CC4)OCCO5)C3)C2)c1 1838740915 ZPDKLPPQRONQPU-JOCHJYFZSA-N 458.515 0.890 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)c(C#N)c1 1839132572 JBISMNQLZYCSHR-OZXSUGGESA-N 493.564 0.531 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCSC)C3)C2)c(C#N)c1 1839132917 WAYNFRWHCKRULW-OFNKIYASSA-N 477.583 0.680 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1839176248 DGMFMWNTEYRLFG-HSZRJFAPSA-N 460.531 0.488 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839209408 VIZCUEYUHNUGRR-NRJQMVOHSA-N 489.635 0.673 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2)NC(=O)OC(C)(C)C 1839239518 YMFQOTRLWDRNBF-MBSDFSHPSA-N 492.577 0.594 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(NC(=O)OC)c3)CCO2)C1 1839244016 YYOAUTNWGYTAFP-UZUQRXQVSA-N 459.499 0.973 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCCCC3)cc1)CCO2 1839335758 CAESVVOGNLYTJE-DEOSSOPVSA-N 455.511 0.835 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)CCO3)C2)CC1 1839726913 NKCCVEAGVNJXCI-STWLZBDKSA-N 468.554 0.382 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NO[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 1839810857 VUDJYBDATGTUAK-GOTSBHOMSA-N 476.530 0.232 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1840026736 UJAYPIQIPWBFMS-IUKKYPGJSA-N 467.563 0.520 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1840089231 OQAIEUKIWJOMID-SAHWJRBASA-N 469.579 0.929 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1)c1ccc(O)cc1 1840220673 XRAKOCQEMBXUHX-MBSDFSHPSA-N 458.515 0.014 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1)c1ccc(O)cc1 1840220889 IJNNJNHWKJSBIT-QYXIYQDXSA-N 486.569 0.793 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251764 WZLFBIRFKREXJY-YADARESESA-N 489.573 0.974 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840380529 FWVMIHQVCATLFQ-OAQYLSRUSA-N 463.560 0.052 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1cncn1 1840420838 YGQVGGJXCBSGNE-ZHRRBRCNSA-N 456.478 0.549 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c1 1840714213 WUTQBIJQLPJLCP-DVECYGJZSA-N 456.543 0.716 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1)NC(=O)OC(C)(C)C 1840795958 LIYCVLDFTCIGNT-OPAMFIHVSA-N 479.534 0.999 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840903843 JPPDICQTTZBQFI-CYFREDJKSA-N 459.543 0.772 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1840907260 SMOIEFXZZIBOOE-HXOBKFHXSA-N 465.547 0.396 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1840907523 XJVAAUNHLPXLAP-WZOHSFFVSA-N 492.617 0.844 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)CC1 1843169288 APMTUNFRWCHKKS-UHFFFAOYSA-N 478.475 0.953 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CC(N)=O)C2 1844215299 RQURXLZFDJNTPG-JKSUJKDBSA-N 495.577 0.507 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844293949 MESCEKWVEFGVNV-AEFFLSMTSA-N 452.552 0.310 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1847040995 GWMCEVNBKRRQOJ-MRXNPFEDSA-N 479.578 0.928 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 10263271 JKIFGSJNUOFILC-UHFFFAOYSA-N 451.501 0.845 30 20 JCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 505987241 PCDCJSZOMZXFPX-SFHVURJKSA-N 455.563 0.836 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(C(F)(F)F)c1 515741128 KUWGCLCUOOKEGD-UHFFFAOYSA-N 460.434 0.269 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)cc1 520070335 BGTUGPOQOOOOFQ-UHFFFAOYSA-N 486.598 0.895 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1 522538059 ULKDTSOACLDUHK-UHFFFAOYSA-N 494.598 0.696 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(OC)nc1 608884791 YYCXBSXTYKIJIJ-HNNXBMFYSA-N 480.546 0.965 30 20 JCED COCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 609599921 UDXTVLZQFYMCSY-SFHVURJKSA-N 469.585 0.621 30 20 JCED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 610924664 XUSXPRDKNQVMBD-QZTJIDSGSA-N 461.588 0.485 30 20 JCED O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N([C@@H]2CCS(=O)(=O)C2)C1=O)Nc1cnccn1 730727785 VQSCVZCNKBGACG-NSLJIHCYSA-N 474.568 0.930 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(-c3ccc4c(c3)OCCO4)c2=O)cn1 839369130 HMKPRGWCWXGSDJ-UHFFFAOYSA-N 477.546 0.966 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 915250413 VDWZUSTWNOGVNB-GFCCVEGCSA-N 457.461 0.164 30 20 JCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 916952641 MLNXZHNZCNJRBV-SFHVURJKSA-N 456.480 0.777 30 20 JCED CCN1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918260770 RALFDCAMPGTLAC-LYBHJNIJSA-N 464.592 0.192 30 20 JCED CCS(=O)(=O)NC1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1198479160 NUQBGRGKFWJVGS-HXUWFJFHSA-N 451.568 0.938 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3CCC(=O)NC(C)C)CC2)c1C#N 1290577675 PSADYGKFDUOHIM-KRWDZBQOSA-N 455.567 0.937 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCSCC1 1303862887 LMIRBLTWOHVPMB-NVXWUHKLSA-N 468.653 0.114 30 20 JCED C[C@@H]1COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1512555218 LVCYCPJGTNDBIE-QZTJIDSGSA-N 481.623 0.462 30 20 JCED COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1518721415 WLAIFAOMPAAMJX-HXUWFJFHSA-N 497.600 0.992 30 20 JCED CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCCS1(=O)=O 1603683902 YHJDHYWQDKTRGY-KRWDZBQOSA-N 473.607 0.889 30 20 JCED CC1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1693714743 UWFYUSPZQOFXKL-CEXWTWQISA-N 481.623 0.460 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1696501980 KBXUJGREUCRJNL-UHFFFAOYSA-N 472.575 0.750 30 20 JCED CC1CCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1750076214 LVWDOXCMZDTCTG-QZTJIDSGSA-N 453.613 0.939 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1ccccc1F 1751222058 OMJIJCISLGSGHF-ORAYPTAESA-N 467.502 0.899 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CCO1 1769260009 VUGAZPIIIVRZFC-HXUWFJFHSA-N 483.573 0.791 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn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c3cc(-c4ccccn4)[nH]n3)C2)C1 1779628521 SVFMGKGUADKDLJ-FUMRIQNTSA-N 450.499 0.774 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171409 WROFDWNOCFTJPV-QFIPXVFZSA-N 461.540 0.845 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1781207782 CORKZLLVCROWBN-JOCHJYFZSA-N 468.551 0.678 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781294504 MHWAUNHQEASHIV-DVECYGJZSA-N 490.532 0.955 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781320842 PEJMLOHOQXMYRK-VGSWGCGISA-N 455.552 0.685 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1782893124 HMOGSHTZQFWMFF-KBMIEXCESA-N 490.601 0.991 30 20 JCED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1783683644 XELRTJLHYHFYHY-XIRDDKMYSA-N 454.487 0.822 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1784440862 XCSWGPIVBRWSKZ-DWOIRGBASA-N 483.612 0.795 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C[C@@H]21 1784483011 VEKLSRPYGGXUTH-QIJLZVCCSA-N 466.531 0.861 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1785575178 ZNEOYXIDZGPMRQ-AXHZCLLHSA-N 471.558 0.828 30 20 JCED CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)c1 1785587471 GZHKZMFMPHPTMR-FNHZYXHNSA-N 457.512 0.592 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788092254 UDTPVWPOKWOHBG-QEOTZNIISA-N 467.494 0.402 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3I)[C@H]2C1 1788900015 NFIZEAFUTMHNQK-OSFYFWSMSA-N 486.310 0.646 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)[C@@H](O)C1 1789808256 GMJWHABQJVOSAD-HVTWWXFQSA-N 461.559 0.607 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(OC)c(OC)c3O)[C@H]2C1 1790160658 MWKUAZCJKPGMPK-LYGXWFJISA-N 473.526 0.861 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1790176678 ARJSIWLVSJVTIC-YZZRYBLGSA-N 498.540 0.871 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C[C@@H]21 1790792523 FHZRNOOBWIYMTJ-FJIDUMEYSA-N 478.546 0.405 30 20 JCED Cc1nc(Br)sc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075670 KTHFRPDCXUIIIV-SRVKXCTJSA-N 456.318 0.895 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C)C2 1792489401 UROXGQJDMOPXSZ-MUXUUDDTSA-N 494.564 0.782 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)C2 1793344651 QWUKSGCQMFPNLK-UWSZBUKDSA-N 488.629 0.337 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)OC 1793360109 QQMULPNMUWIFOE-RCJHGTSTSA-N 485.603 0.952 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1793361344 IHHQKGYZUKNQGG-IECFSIQFSA-N 483.562 0.624 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1793488990 JNEDVKPETHZGKB-IECFSIQFSA-N 462.547 0.904 30 20 JCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C3)c(C(F)(F)F)n1 1796458666 PPOAGWFBXGYAEG-XFMPKHEZSA-N 452.437 0.817 30 20 JCED Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)c2ccccc21 1797170715 DHQZMYZVQAAGNN-NXKWYNOOSA-N 458.518 0.981 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[S@@](=O)CC 1797611413 SCQSZIAHNBAMQB-HPJXXVIVSA-N 469.604 0.651 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798921807 UDXZJYJTMLPPPH-FCGDIQPGSA-N 458.515 0.647 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799198696 ZBBJNYBNRYCWRP-RCFCFVIZSA-N 482.578 0.605 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC(=N)N)C2 1799232161 RXNFCARLVHXQDJ-DFGXFYAUSA-N 481.619 0.899 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC=O)C2 1799232605 SGQJZFCDERTBMK-QTMHVTGLSA-N 464.563 0.407 30 20 JCED Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)c(=O)[nH]c1C 1799324365 FJKTVTDPAROFLJ-XEMDLRDOSA-N 453.474 0.843 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799324998 VAFLAJDKFTVXRD-SHJAMOMRSA-N 490.532 0.715 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C 1800459586 PCKOSOLLYNQGPV-PFBIXUPDSA-N 480.562 0.958 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778904 VSQKXJVESHNVCK-DTFBLWLJSA-N 453.467 0.012 30 20 JCED O=C(CN1CCOCC1)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1806905273 IZMCNYSJHOPULH-FDOFZYORSA-N 459.547 0.949 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807055537 MMXKSPJTQZNVMG-MSYCTHLASA-N 464.526 0.631 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C3(C#N)CCC3)[C@H]2c2cccnc2)CC1 1809678501 MMXWVNJOPMJCBG-UNMCSNQZSA-N 452.559 0.945 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1810087497 MNCUDCIXKYGDGG-KULBIXTJSA-N 459.503 0.010 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810355561 CJKGDLDWCZBOKU-QWOXFCIWSA-N 460.535 0.209 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1)C(=O)C(=O)O 1810359621 ZNJAXCJGCGQCDK-GLAXCXMCSA-N 475.502 0.159 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)Cn2cncn2)[C@H]1c1cccnc1 1810472765 LLJDJXGBLGMNKE-VATAHRDTSA-N 451.531 0.874 30 20 JCED Cc1cc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)n(-c2cccc(=O)n2C)n1 1812878537 JJNSPMJEHTTWPV-MHECFPHRSA-N 488.504 0.682 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1814063707 MUDDELGSQFFXCF-VGSWGCGISA-N 499.491 0.478 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819894082 UXCFVJFHCLVRIZ-QVKFZJNVSA-N 471.539 0.656 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCN3C(=O)OCc3ccccc3)C2)CC1 1829121605 UWJCNMICSHMSPW-XMMPIXPASA-N 478.509 0.618 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3=COCC3)C2)C1 1829335286 YXDOEFLXQSQZHA-DEOSSOPVSA-N 467.478 0.831 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccnc(OC)c3)C2)C1 1829764635 RFWUSCSHPQTSLL-RULWIFSWSA-N 472.542 0.338 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)c3ccco3)C2)C1 1829771052 CGHGEUQXZGOXQG-KKHYBRAUSA-N 453.442 0.686 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C(=O)OC(C)(C)C)C3CC3)CCO2)C1 1830066414 WZASTIRQAODAAG-MHECFPHRSA-N 479.574 0.881 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)CC1 1830460485 OMLZMOHCOSSOEQ-VWLOTQADSA-N 469.586 0.195 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465531 KCUJNWVRJNRCIO-OAQYLSRUSA-N 468.959 0.583 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1830573638 AYGLNBOZBKRVAS-ZKTSJEKDSA-N 494.545 0.041 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831196518 DIFTXCKAEASRDH-QFIPXVFZSA-N 451.568 0.031 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831665656 JXSOIDCOVAQXKY-IAGOWNOFSA-N 451.520 0.580 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833620734 HNRBYEBJRNBZBG-GBXCKJPGSA-N 469.542 0.910 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cncn2C)CCO3)c(C#N)c1 1834328910 VPCDYEIFODWVPD-QHCPKHFHSA-N 453.499 0.613 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)cco2)CCO3)ccc1F 1834606326 UTAYHGCIOFHTJQ-QHCPKHFHSA-N 455.442 0.963 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CCS(=O)(=O)c1ccccc1)CCO2 1835145342 ZVJAYGGLRMXGKS-HSZRJFAPSA-N 460.552 0.720 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4Cc5[nH]nc(C(F)(F)F)c5C4)C3)C2)CC1 1835346896 YVZNFGRPJOIEFH-RBZFPXEDSA-N 467.448 0.903 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1835642595 RYWIZTALIKYAQI-PMAPCBKXSA-N 499.609 0.486 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3COc4ccccc4O3)C2)C1 1835675309 MZIFEPYQCSDFDV-CLOONOSVSA-N 486.569 0.955 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CC)NC)CCO2)C1 1835916158 FVHYRZSLCKWGBV-IXFSTUDKSA-N 468.595 0.910 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836983767 CQQHSHAMGBCAOJ-QHCPKHFHSA-N 454.531 0.686 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1837525679 OMDCLFRCHKRGKT-HNAWTQNHSA-N 477.514 0.756 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529901 GTBJNUPVWKJCPG-LDVHSUHUSA-N 474.514 0.385 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-c4ccncc4)[nH]n3)CCO2)C1 1838009461 MYCMJJZPOMSYIY-GAJHUEQPSA-N 453.499 0.580 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838739422 RTTLPLWSYVSVKO-SBUREZEXSA-N 491.545 0.232 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838756880 ZDPFRFKKFKDVDD-JOCHJYFZSA-N 461.567 0.385 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(OC)cccc1OC)CCO2 1838880838 OAZACDCVRCGZHS-HMLKYZKVSA-N 473.526 0.632 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1839044247 UTPSPJCPAHJERJ-VWLOTQADSA-N 494.573 0.400 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)ccc1F 1839187681 RCPBADIOZCKVLJ-NRFANRHFSA-N 472.433 0.641 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(N5CCOCC5)c4)CCO3)C2)CC1 1839344374 BZOVLRZHNQBGDP-DEOSSOPVSA-N 454.527 0.897 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361817 GGPDRZHBRCVPGA-XMMPIXPASA-N 467.526 0.979 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)c(F)c1OC)CCO2 1839380269 FLTXUHRGTBSFFQ-FUMRIQNTSA-N 479.480 0.902 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839422953 TYZSGHPIAFEURM-YCRPNKLZSA-N 498.989 0.609 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1839453155 QSRZOGCUTWRTMG-HSZRJFAPSA-N 464.482 0.139 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1839881140 NBRGQZLEOGKLKJ-PRCFCKQXSA-N 482.578 0.437 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1839889431 UMZKTZUXYXQQOE-LPHOPBHVSA-N 462.446 0.149 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1)C(F)(F)F 1839893044 MZOTVWVNUKOMTF-CRAIPNDOSA-N 466.409 0.056 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(Cc3ccccc3)C(=O)OC)CCO2)C1 1840083541 JIIOEEHOHJLFPB-NLFFAJNJSA-N 487.553 0.750 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840164812 QKULFGXGZVQJOV-QRQCRPRQSA-N 498.602 0.527 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1840820335 KVQAIMVFMRRXBO-DEOSSOPVSA-N 476.493 0.979 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C1 1841231857 IZEHJUYEFSUXSK-QEXQGXNMSA-N 496.630 0.710 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1842919702 OZOYBKSRSZELHA-UHFFFAOYSA-N 480.573 0.665 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1844355441 NJNBHOAUTJAVHY-UHFFFAOYSA-N 456.547 0.630 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846141006 MIUMOAJTLHDEMH-WAIKUNEKSA-N 461.515 0.694 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)c2nccnc2C(N)=O)C3)N(C(=O)OC(C)(C)C)C1 1846449424 BHPJQGDHMBZVIL-HNNXBMFYSA-N 470.530 0.958 30 20 JCED N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 14868550 XIIADBSPVXJMRY-HNNXBMFYSA-N 455.539 0.824 30 20 JCED N#Cc1ccc(OCC(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 18280592 FSLJFXDTWPUZSU-UHFFFAOYSA-N 473.507 0.818 30 20 JCED COc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C)c1=O 489173899 WHJUXKDSGPXLDW-UHFFFAOYSA-N 464.341 0.580 30 20 JCED CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 501584139 ZDXPERQQTJVTIH-UHFFFAOYSA-N 475.615 0.970 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 506968408 KNVJAUCIFAAGLO-CABCVRRESA-N 473.511 0.490 30 20 JCED C=CCN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 512084724 QTZHQJZNDBYXML-OAHLLOKOSA-N 458.558 0.718 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cc1 514306186 IXTGQOROFJWNFB-UHFFFAOYSA-N 498.605 0.304 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCNS(C)(=O)=O 518065732 JBMFERSBILJOAZ-UHFFFAOYSA-N 469.535 0.855 30 20 JCED CCOCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 523734017 NGRRMIJKDMLKJI-UHFFFAOYSA-N 498.586 0.887 30 20 JCED CC(C)(C)NS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 603824150 SNVMMFCPQLAEGW-UHFFFAOYSA-N 457.578 0.292 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 608828194 JHVFUMWFBCGJIB-UHFFFAOYSA-N 463.519 0.049 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1 619584831 AQIVOMFEUYNJHY-UHFFFAOYSA-N 480.524 0.202 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)C1=O 726043520 ONFLSHMLOADHRK-LJQANCHMSA-N 459.455 0.791 30 20 JCED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cc1C 729671433 MMLRMDOCZDCLKU-UHFFFAOYSA-N 459.593 0.661 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 729671669 UOYNQUCLZCIOBQ-UHFFFAOYSA-N 497.545 0.681 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCS(C)(=O)=O 729672964 ANHYCKZIIDIERK-UHFFFAOYSA-N 485.534 0.583 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N(CCC#N)CCC#N)c2)CC1 849202700 KPDOQQXXNCXVNA-UHFFFAOYSA-N 475.527 0.352 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 858005709 XZDBWNMWXRWTPR-CABCVRRESA-N 493.563 0.668 30 20 JCED CC(C)(C)C(=O)NCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 878557684 LUSPJBBYXSBXSX-UHFFFAOYSA-N 464.544 0.487 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1 918423955 IYZQJPHQYTXCKS-SAZKUCFMSA-N 499.615 0.226 30 20 JCED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 918887203 PYDXVQZEBHUYIM-MRXNPFEDSA-N 464.544 0.704 30 20 JCED C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1139811267 IRPINYHSKNIFTD-QRWLVFNGSA-N 456.524 0.748 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1519164708 KZPWMBUUZAKQQX-CVEARBPZSA-N 458.610 0.731 30 20 JCED CNC(=O)c1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1618610731 IJINFIOYLLBCDV-ROUUACIJSA-N 458.544 0.511 30 20 JCED CCCN(C(=O)CN1CCN(CCC#N)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1620509806 JPIQPBDAFBQMMQ-UHFFFAOYSA-N 453.547 0.854 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCN1S(C)(=O)=O 1712846736 POMHMEGWNQKLHW-INIZCTEOSA-N 473.559 0.146 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1723660831 IUYRBMCQWGDMRS-GOSISDBHSA-N 457.560 0.956 30 20 JCED Cc1nccn1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1751809192 ZIHPNOVWZFGAII-DOTOQJQBSA-N 450.569 0.802 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1761498314 RPTNIBVMHIGBAW-HOIFWPIMSA-N 489.602 0.626 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778753354 YZZAGPUOCOAJFE-SFGWALBWSA-N 469.604 0.210 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779423072 CLGJHOAULZEZJL-GQPGGXJDSA-N 497.545 0.524 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)NC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1783181194 GPJSFFKJTLPSPD-TXBYWVTISA-N 464.563 0.907 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783453015 KSOZWNZAAZKGEG-IMWIBFENSA-N 491.585 0.881 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC[C@H]1NC(=O)OCc1ccccc1)CCO2 1783566122 YYJMLFCFZKYNES-DFIYOIEZSA-N 483.521 0.999 30 20 JCED CCOC(=O)c1nn(-c2ccccc2C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1C 1783567905 HUPKYNWWWPYFSJ-RUZDIDTESA-N 494.504 0.889 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1783888293 HMNIEJAGXSFGRV-IWLLQYOYSA-N 457.593 0.753 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1784785141 GUMVENGSZUNTEB-QAETUUGQSA-N 491.593 0.769 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccn(CCOC)n3)CCO2)C1 1785574801 SONSQVIRRVAEAZ-MHECFPHRSA-N 489.573 0.890 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1)C(F)(F)F 1788255600 VYMUVCSPLLJJPN-XEZPLFJOSA-N 455.437 0.728 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21)N1CCN(C)CC1 1789798307 RAGRVIFVYXVJAU-JQIPMYIQSA-N 471.577 0.855 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CN)C[C@@H]32)ccc1Br 1790197422 INIGYGODRJSBQZ-CSFVBSKPSA-N 450.337 0.200 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791078997 REAMJTQLLDJCEE-CABLIKTCSA-N 491.541 0.079 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1792147591 WDLIZXBLNFEATD-QSFXBCCZSA-N 465.466 0.719 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1793310342 USRKWTCHAYZGPU-RMYQPGKMSA-N 462.572 0.408 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2 1793340190 PTSQCBDPTABLQS-UWVPOSKDSA-N 467.563 0.543 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795274954 JTWOFYJCDQRTRZ-XAPVIXHLSA-N 470.570 0.870 30 20 JCED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797743931 IWUOAQQLWDTDSZ-ROEAWGTKSA-N 454.568 0.117 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cc1 1797811876 SXLBGVIOOSCENO-NIWYBKIKSA-N 493.582 0.887 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c2c1OCO2 1798624930 VWXKKUJCBXLDNW-KUIZXIRVSA-N 472.454 0.385 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](COC)NC(C)=O 1798642713 NJLQYULDJFEJES-PJVZLEMVSA-N 464.563 0.692 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H](O)CN2)ccc1Br 1799140770 LYCAFUBHVXZRSI-CRCOGDFISA-N 463.332 0.247 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(=O)n2O)C3)c(C#N)c1 1799238181 AXGNMQLRWBEOOD-FAQVEIGNSA-N 452.467 0.412 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3nc5ccccn5n3)C4)c2c1 1799883603 ZZFKHQDUNCLNLO-CCWDJLKJSA-N 456.466 0.994 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800322563 DWFHWTAHTOTWPE-CSHUHZATSA-N 458.519 0.747 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)NC(C)=O)N(C(=O)OC(C)(C)C)C1 1800534971 HKZUZKHOQOIFON-GYFISPQKSA-N 464.563 0.666 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 1800741838 SYZVHGYTCUSKLA-YCXYWVQESA-N 457.527 0.929 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)OC(C)(C)C 1801955431 RECFNSPKLUYWPD-BFUOYJEKSA-N 450.536 0.349 30 20 JCED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)n(-c2cccc(=O)n2C)n1 1801979468 JFLXOYYIMCKRAB-UPHUGPLXSA-N 464.526 0.777 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCC)NC(C)=O)C2 1802126266 JPRIWZAJWAVHKG-USYVTKNRSA-N 478.590 0.797 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1814060548 SPNZWGQXDDUYRX-FDDCHVKYSA-N 476.493 0.590 30 20 JCED COCCOCCOCCOCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1820964491 NMJCKQWIVDLLLA-GOSISDBHSA-N 480.518 0.576 30 20 JCED O=C(CN1C(=O)CNC1=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828971197 WPEMNONLUIUVMF-NXUSNIPQSA-N 463.535 0.687 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)cc1 1829632091 OOSWSJAEOFXZKJ-DEOSSOPVSA-N 456.543 0.279 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(C)c(OC)c3)C2)C1 1829773727 RZLYAYRNZYOMQQ-CVUHLLMESA-N 487.553 0.941 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccnc1 1830982962 IASBMILWITVKPV-QMHKHESXSA-N 463.498 0.962 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC4CCOCC4)n3)C2)C1 1831396294 IZHCXKBRBQWFQU-CLOONOSVSA-N 487.553 0.748 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1831404411 MXJFXGFIMPYURY-KHCICDEESA-N 495.573 0.117 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1831432988 DKXNBFBJPTYXEN-PGRDOPGGSA-N 452.548 0.967 30 20 JCED C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)C(F)(F)F 1832163223 VRRRBNATFWROGU-PMACEKPBSA-N 481.431 0.818 30 20 JCED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)n1 1833091578 IHVJEBMPJZDEJN-HSZRJFAPSA-N 455.490 0.901 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1833199452 RUPISZOIVTZZAE-YKSBVNFPSA-N 458.559 0.674 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)N(C)C)C3)C2)c(O)n1 1833695755 GVOQVXQRXBYWCN-HSZRJFAPSA-N 475.546 0.247 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CCn3c(=O)oc4ccccc43)CC2)CC1 1833778109 SYSZYANFZXSMRZ-UHFFFAOYSA-N 468.510 0.644 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CSc3nc[nH]n3)CC2)CC1 1834715935 VKORHNLZADUPNG-UHFFFAOYSA-N 462.624 0.750 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1835103252 ZSMXUJDRNLJGCU-DEOSSOPVSA-N 450.495 0.623 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1835675151 JQKLHGZKKRFUEK-XMMPIXPASA-N 489.642 0.844 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1835717506 YNDYRUKIKQARRK-JOCHJYFZSA-N 475.678 0.911 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2)NC(=O)OC(C)(C)C 1836354876 UUWUBFUOAQBERM-KSFYIVLOSA-N 478.550 0.734 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CS(=O)(=O)CC)CC2)CC1 1836847743 MZEOLFAUZJWKKD-UHFFFAOYSA-N 458.577 0.929 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1837395992 ACLRNUVZSLUWKS-UQBPGWFLSA-N 484.553 0.577 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1837440553 MWUGNKISIHUPLA-ZUQYEVSTSA-N 489.617 0.706 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837489898 XXYPCSQOWRQJJE-DEOSSOPVSA-N 467.526 0.498 30 20 JCED CN1CCC(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1837524732 GULFBZLAPUXLRU-VWMKTKPBSA-N 466.579 0.704 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837527363 LZAAGFJYUWSMCX-NDYBPRIYSA-N 461.515 0.705 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1837528214 BKPRZHUZWDJZRP-QNRXVKNXSA-N 471.514 0.933 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1Cl 1838599579 NFACKYOLLZMYMR-JOCHJYFZSA-N 472.885 0.207 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(CO)on4)CCO3)C2)c(C(F)(F)F)n1 1838801285 AZWBXXADQPTKQD-FQEVSTJZSA-N 495.414 0.836 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)N2CCN(C)CC2)CCO3)c1 1839104452 SGGRJTQYOMOXJV-DFBJGRDBSA-N 485.585 0.273 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 1839176102 WEEWQLGKMGXQTG-FDDCHVKYSA-N 461.515 0.815 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1839204042 FISVYRGCHXKJPD-IERDGZPVSA-N 491.532 0.930 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839497130 UBTNXBDIQRETMG-KSEXMQBYSA-N 453.499 0.263 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839539217 FYXYHIIVMYPOLU-FPHRNUPISA-N 471.514 0.933 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1840060623 ZNOLMFNOOZFVDD-UAKAABGRSA-N 497.589 0.404 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840089269 REROUILWWHESED-BOPCVMIFSA-N 498.577 0.885 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCCCC2=O)CCO3)cc1 1840103717 OVSGDSRWVIOGPF-RUZDIDTESA-N 468.554 0.960 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cnccn4)CCO3)C2)c(C#N)c1 1840458026 HDVKUMMEBHTUPQ-RUZDIDTESA-N 479.537 0.989 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)n1cnnn1 1840478804 BODJFAFCLQJXKO-XOBRGWDASA-N 459.894 0.529 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)c1 1840715320 XBUDUUOSFINERW-IHLLOCCUSA-N 472.542 0.034 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)C3)C2)CCC1 1840814211 VDZFBFCGLXEALQ-DEOSSOPVSA-N 491.508 0.335 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(N5C(=O)C=CC5=O)cc4)C3)C2)CCC1 1840816314 XIIDMHCOWKSCFR-VWLOTQADSA-N 478.505 0.880 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C2)C1 1840844627 GCUOWECZCAWTGA-QFIPXVFZSA-N 498.001 0.878 30 20 JCED CC1(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CN(C(=O)OC(C)(C)C)C1 1840955601 ZXJADLORWAVTNL-QHCPKHFHSA-N 479.530 0.178 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CC)C2 1844215382 ZRRGLWGHKBZNAY-CVEARBPZSA-N 468.551 0.766 30 20 JCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1/C(O)=N/c1nc(CN2CCOCC2)cs1 21129374 XRXKTXZBKPILIP-UHFFFAOYSA-N 455.562 0.971 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CC1 60350387 NTSVJEIKLRVLOY-UHFFFAOYSA-N 471.539 0.502 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)CC1 516372239 ZWXYFQBTSRTODR-UHFFFAOYSA-N 453.524 0.866 30 20 JCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 518035534 PJGZKGMKUVIWMB-MNEFBYGVSA-N 458.540 0.955 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(OC)nc1 567452557 AUNOMDSPCXOJNV-UHFFFAOYSA-N 480.546 0.967 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828397 SFRNHUHHOIIKKM-UHFFFAOYSA-N 492.557 0.581 30 20 JCED CSc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 608912849 HEHQLEGXYKNZRU-UHFFFAOYSA-N 494.664 0.456 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)nc1 729008880 JISDNPGBSXSSAW-UHFFFAOYSA-N 485.518 0.914 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN(C)S(=O)(=O)N(C)C 731142593 RCERBEQAMNVOEI-OAHLLOKOSA-N 460.578 0.421 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 769808372 NQNIPAGNJNBJIZ-UHFFFAOYSA-N 460.487 0.868 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Br)cc2)c1=O 916199183 CKTQTIOXJPGTBQ-UHFFFAOYSA-N 478.368 0.681 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 916659631 UTERLODKGVVFGQ-GOSISDBHSA-N 485.566 0.815 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 919315653 LYMNHGJFHUVAFC-LJQANCHMSA-N 482.580 0.975 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 1359084557 LHZSDASRVLGINZ-AWEZNQCLSA-N 491.412 0.611 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1503839443 XBKFWRZTOFBZOZ-SFHVURJKSA-N 456.532 0.468 30 20 JCED COCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1504649614 PVJRHUYIYNQMIU-HNAYVOBHSA-N 456.544 0.870 30 20 JCED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1505321809 XJUKYANJJSCMEE-SFHVURJKSA-N 458.544 0.858 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@H]2C1 1539600807 VSZYPTPJYNEARR-OLZOCXBDSA-N 491.368 0.160 30 20 JCED Cn1cc(-n2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc2=O)cn1 1543122443 ULDQTDQEFMXDMC-UHFFFAOYSA-N 452.496 0.589 30 20 JCED COCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1555440729 VMBXXMDRIKSNJP-KXBFYZLASA-N 456.544 0.870 30 20 JCED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589289806 XGWWLQZUKGJRDE-UHFFFAOYSA-N 456.389 0.972 30 20 JCED C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C1CC1 1611705161 OCPJTIBSISAVOW-DLBZAZTESA-N 487.634 0.964 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCO1 1706049569 JCAGMWYQMATKGG-LJQANCHMSA-N 453.503 0.017 30 20 JCED C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1706810614 YUUBHIRJYAEHRV-DLBZAZTESA-N 452.567 0.727 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1711020886 ZVZIRGWZLUMKON-UHFFFAOYSA-N 483.558 0.295 30 20 JCED C[C@@H]1CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCCO1 1726736344 NLNGAGFQZTWGSH-LQWHRVPQSA-N 499.613 0.554 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1731011788 KMEOKYYWVJBPMS-UHFFFAOYSA-N 487.586 0.727 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1741133785 ULCZTHKVXWQGPR-YJBOKZPZSA-N 462.580 0.716 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1747419276 KDSSWNHVHGIVGW-MRXNPFEDSA-N 459.532 0.377 30 20 JCED CN(C)CCOc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1747594977 ORBKNSFJAIXDJM-UYAOXDASSA-N 474.587 0.898 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1 1770345838 OGGUOMCMFCMXQQ-UHFFFAOYSA-N 471.465 0.577 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1778920934 IDTFRDZNZXOJAX-XCGNWRKASA-N 484.550 0.003 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1778978160 DLXXEKYSWMIDCJ-QQMNAOGKSA-N 469.579 0.665 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779205636 FXWDTUWGKHUFAL-UUOWRZLLSA-N 485.541 0.767 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337381 MJKPCJNKGBLPDC-ZHRRBRCNSA-N 461.519 0.606 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781320799 MHBMYMNZTQAKRA-FDDCHVKYSA-N 467.563 0.522 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781353966 BJDOVXQZVLHIPY-DRSNIGMVSA-N 470.567 0.893 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781379868 GSQSWOMPYMDKBP-OFNKIYASSA-N 472.579 0.494 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1782017183 BGLOQRCNODGBET-HOYKHHGWSA-N 465.462 0.332 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782650302 UFBPGNABLUULJO-ZHRRBRCNSA-N 481.619 0.217 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-n4ccnc4)ccn3)C[C@@H]21 1783531497 SLHDQESNSZSITR-FQUWNOGJSA-N 464.526 0.719 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1783767826 DIBSWDJZQKNCTR-DVECYGJZSA-N 479.622 0.533 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1785572589 NAIGBIXXKVFLOZ-DFBJGRDBSA-N 499.568 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785725777 XYKSXNMBBRQWON-IIRYRQSKSA-N 492.573 0.311 30 20 JCED O=C1CN(c2cccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC5CC5)C[C@@H]43)n2)CCCN1 1785783724 BCYPJKFBCRSDFE-ZJOUEHCJSA-N 465.554 0.415 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)NC2(c3ccc(NC(=O)C#CC4CC4)cc3)CCC2)n(C)c1=O 1786301382 SQLNDLNFWSVKCP-UHFFFAOYSA-N 474.521 0.981 30 20 JCED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3I)[C@H]2C1 1788897681 ACOOEMIZTVVBTP-GVXVVHGQSA-N 457.272 0.911 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NCC=C)C[C@@H]21 1792255611 QLCYPGGORXUJFT-VKKXURQZSA-N 488.585 0.741 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3[nH]nc(C(F)(F)F)c3C1)C2 1792490372 PSUKXQYMQOUKBT-JTRPBFNQSA-N 481.475 0.591 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1cnc2ccc(Br)cc2c1=O 1793309377 FBTYLJPQCBPEGM-VTEUUUEMSA-N 473.327 0.772 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)C2 1793347923 PVRJIHNEYAKMED-GVJYWCCQSA-N 479.574 0.375 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797838623 HDLIVMVVWJTRPL-CURDWCSZSA-N 478.546 0.828 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2c[nH]nc2cc1Br 1798515892 USJVBWMTFRSVEA-KSPBDQMDSA-N 461.272 0.617 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798635136 YAMUDAJCDKVLLX-RCJHGTSTSA-N 475.546 0.833 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1799259622 XPKAVFPUXGASIG-HATOLVCRSA-N 493.601 0.816 30 20 JCED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O)c1cccs1 1800391489 RBPKDBHKPPFACC-XGGXLVSVSA-N 452.554 0.654 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800778449 YBGUWBUYNUQEAA-MZZPOWALSA-N 467.494 0.259 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801119670 JXQYQGUZMTWDSM-KYFSNAEOSA-N 490.557 0.361 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2)NC(=O)OC(C)(C)C 1801928002 DRVOUPLFWWGFTK-WFNPHZEWSA-N 482.578 0.498 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2 1802140793 KYELTDARTPYOLE-WGHOHENRSA-N 464.563 0.570 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2)C(C)(C)S 1802180720 ATPWILYTVJWRKK-HLPPOEQASA-N 467.596 0.913 30 20 JCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)CCC1 1804197204 UCXTXZKOKKCDQA-ICSRJNTNSA-N 459.572 0.512 30 20 JCED NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1807189936 HCTZYXYYPPOMKB-GJQIPYMXSA-N 460.535 0.209 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1808293643 BIUUQADUUDSCRR-JTTZZOPQSA-N 452.471 0.461 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]3c3cccnc3)c2c1 1812070083 XAMFXEZZPIRQBU-ZJBJCVSYSA-N 474.525 0.742 30 20 JCED C=CCC(=O)NC[C@@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1813053071 CERIHEIXPXZVFA-QFBILLFUSA-N 465.514 0.111 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)COc2ccccc2C#N)[C@@H]1c1cccnc1)C(=O)C(=O)O 1814066153 XOFAIJPSEHRDQY-GCJKJVERSA-N 479.493 0.581 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nccnc1C(N)=O)CC2 1814982205 LGNXTRYANPPIIJ-LLVKDONJSA-N 456.532 0.540 30 20 JCED C=C(C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2)C(F)(F)F 1825264682 WYVIRJNXZVMART-ZETCQYMHSA-N 454.394 0.613 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)C3)C2)C1 1829663432 LJYQYWFBGZDVHZ-WNSKOXEYSA-N 458.515 0.415 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)Cc5ccc(C#N)cc5)CCO4)C3)(C1)C2 1829907658 OBDKKXHIISAYHO-STEQJIOHSA-N 467.522 0.900 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)CC2)ncn1 1830957440 IZFDTJBRTGWIBV-VWLOTQADSA-N 483.569 0.571 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831222755 GQLLMNZMLPNVLI-CYFREDJKSA-N 493.557 0.313 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1831388858 ZOKCWYKLFPZDPR-ODESFVKMSA-N 469.538 0.354 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831563231 BYAISYCQEQVONC-PONJGIIJSA-N 482.534 0.021 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1831770975 QTGPMXFKQKLQOX-ZGNKEGEESA-N 475.546 0.949 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](Cc1ccncc1)NC(=O)OC(C)(C)C)CCO2 1833106895 LACBSPZMTQIMJE-NLFFAJNJSA-N 486.569 0.997 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833220112 RQDLKQRTGWVYIL-KRWDZBQOSA-N 454.568 0.338 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cncn3-c3ccncc3)CC2)CC1 1834013996 WRSPZSBYXHKKRD-UHFFFAOYSA-N 450.499 0.541 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCN(C)CC3)CC2)CC1 1834624914 PASVPXGYGYHAHP-JOCHJYFZSA-N 463.667 0.769 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102730 ZMXGQZGUXXXFCM-RUZDIDTESA-N 474.554 0.564 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(C)C)C(C)C)CCO2 1835896252 BTQMKWOYTGNLKX-NZQKXSOJSA-N 453.580 0.975 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837202667 VBZFJUWBXNPQNR-DENIHFKCSA-N 479.917 0.212 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1837309554 OVGSUCJEWJBNLZ-HOYKHHGWSA-N 471.558 0.855 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1837367691 SCSWJVWLXUKSCM-QMHKHESXSA-N 493.561 0.178 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837444017 WLNBBEZZKLDEHC-PWYGXMRTSA-N 455.519 0.271 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837482949 GWHIDJACOVUUIU-HXOBKFHXSA-N 450.499 0.919 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1837528304 FPQSZNVBGSXDMT-AAADOUPPSA-N 488.501 0.034 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)no1 1837563332 WNJCOGZVMNCNNA-NYNQOQISSA-N 473.486 0.480 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)N1CSCSC1 1837570682 WELCHNMIXIXIRR-LAUBAEHRSA-N 485.676 0.768 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837972510 KJVGKGIKQUPVLB-MHECFPHRSA-N 491.541 0.759 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)ccn2C)CCO3)c1 1838534577 QGRZYRGHIDHGKJ-XMMPIXPASA-N 466.494 0.649 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2ccc4ncnn4c2)CCO3)ccc1F 1839049057 HIPSWWODVOSNCU-RUZDIDTESA-N 492.511 0.982 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(O)cn4)C3)C2)c(C#N)c1 1839133510 UGBHKTIMIGEZHV-VWLOTQADSA-N 480.521 0.909 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1839174495 GGKAUFDIOZPHEX-QFIPXVFZSA-N 489.554 0.853 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1839174649 PRLFLHJCVDFVOL-QHCPKHFHSA-N 460.531 0.868 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839220050 TZWFTWCZVKAYEJ-QHCPKHFHSA-N 485.578 0.079 30 20 JCED COc1ccc2[nH]cc(/C=C/C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)c2c1 1839221767 OHOJGTFAXOORHX-OCVYDVGESA-N 467.478 0.734 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1839227694 JEXNTASISMIOFP-KKSFZXQISA-N 479.490 0.014 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839389541 VQNWPOKXSLMBJV-FIYNTEMGSA-N 487.557 0.495 30 20 JCED C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401055 ODAOKVTXNONGHH-VLIAUNLRSA-N 479.331 0.525 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)nn1C 1839487830 YKDAWGJEZMQQOK-QHCPKHFHSA-N 463.498 0.860 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839687018 VYNFLQVYAVJOBD-HXOBKFHXSA-N 475.498 0.955 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(CNC(=O)OC(C)(C)C)CCOCC3)C2)C1 1839806455 PNQZKVBLNINXOA-HSZRJFAPSA-N 465.547 0.398 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cscn3)NC(=O)OC(C)(C)C)C2)C1 1839811424 UCXDNKOSLGOQBX-VGOFRKELSA-N 478.571 0.669 30 20 JCED CC1(C)C=C(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CN1C(=O)c1ccccc1 1840044109 LDBUDBUNDXXFLI-SANMLTNESA-N 495.532 0.392 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c1 1840192924 LABJDYDNQCKRPE-OAQYLSRUSA-N 463.512 0.455 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1840204785 MMDGSTZWYUMGCS-HXUWFJFHSA-N 468.432 0.615 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c(C#N)c1 1840232374 VCSSFJKPJNEDSR-UUOWRZLLSA-N 470.526 0.092 30 20 JCED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1840322673 QIUMABQBDVXDMC-QHCPKHFHSA-N 474.514 0.771 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840795351 DGSFNSAYJURALW-VUMVONDWSA-N 496.605 0.827 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1840818467 DRONHGNWTFBASB-HSZRJFAPSA-N 453.451 0.869 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1840908157 BTIXKPZIBYJBLU-FBFJCBDHSA-N 493.601 0.911 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 1845230798 AWYBTHZVBXPHIF-MRXNPFEDSA-N 453.536 0.975 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cnc(O)[nH]1)C2 1846366197 ZBXRFMYGFGWXOG-HNNXBMFYSA-N 492.533 0.738 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12 9549600 XEYQTOVPQAUVRA-UHFFFAOYSA-N 456.484 0.877 30 20 JCED C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O 19314451 RVPCTZRHBOFJNE-XMMPIXPASA-N 495.561 0.999 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)C[C@@H](C)O1 498179155 VDMDQKGLACMSQO-HDICACEKSA-N 498.627 0.876 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccccc2OC)c1=O 501773755 LJPPBDKGEZOTHT-KRWDZBQOSA-N 485.562 0.670 30 20 JCED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 516350088 DLUACLOAASQMTL-AWEZNQCLSA-N 462.509 0.930 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C1CCN(C)CC1 517990161 GPFKDHIVSOHEJK-UHFFFAOYSA-N 470.595 0.841 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 522283484 POUAAKDDVWZSIF-UHFFFAOYSA-N 473.551 0.325 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2F)c1=O 522284148 MJGXSPGJKPUZSI-UHFFFAOYSA-N 492.548 0.176 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(Br)cc2)c1=O 523089504 IYVJAGZCIJBUBZ-UHFFFAOYSA-N 480.384 0.974 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc4c3OCO4)c2=O)cn1 523864571 VAXNCDHSNWQSQK-UHFFFAOYSA-N 479.518 0.206 30 20 JCED Cn1c(=O)nc(O)c2c(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc(C3CC3)nc21 603510735 XPJQTHNQBIVGAW-UHFFFAOYSA-N 494.533 0.930 30 20 JCED CN1CCN(c2ccc(CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cn2)CC1 603551491 KOJYYEIQUXVCLY-UHFFFAOYSA-N 483.598 0.921 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cc3C)c(=O)n2CC(=O)N(C)C)CC1 604270198 SNOIJEILRCSZEU-UHFFFAOYSA-N 481.622 0.282 30 20 JCED CCOc1ccc(OCC)c(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccnn3C)c2=O)c1 608883515 GGDKBRQZABESJZ-UHFFFAOYSA-N 453.524 0.679 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ncccn3)no2)CC1 609019270 GTASDNATMPGKMV-UHFFFAOYSA-N 453.484 0.864 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccnc1 609038512 PZJGULZKCUBKRQ-UHFFFAOYSA-N 463.563 0.988 30 20 JCED CN(C(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C(C)(C)C#N 728721412 SGOXIJMJLPWXPV-CYBMUJFWSA-N 462.322 0.392 30 20 JCED C#CCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 730725917 WWDIQUYPIUKWGM-AZCDHQAESA-N 458.525 0.586 30 20 JCED CC(C)[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 877729983 IMEBYINUXYDDCP-IBGZPJMESA-N 486.554 0.432 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 894589537 BMEUUOALEJJADN-CQSZACIVSA-N 466.516 0.097 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)C1=O 916611463 MAEKWIWTRPIHTR-DHDCSXOGSA-N 486.462 0.545 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@H](C#N)C(=O)NCCOC)CC2)o1 917424135 DHANQLZVUOWRLM-AWEZNQCLSA-N 455.489 0.328 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1CN1CCCC1=O 1288870098 MMRQVBLVCNAGRD-VQIMIIECSA-N 487.586 0.788 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)c(C)n3)CC2)cc1OC 1337346753 RHVIEALYRPFZRG-UHFFFAOYSA-N 488.522 0.969 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359076763 LYZLNJLCANPXPW-OLZOCXBDSA-N 499.457 0.563 30 20 JCED CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359603568 VYROFGAXQWGZAS-UHFFFAOYSA-N 453.547 0.568 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1504888731 ZOCJRPJJCWDVNY-QGZVFWFLSA-N 481.600 0.998 30 20 JCED COc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1OC 1518408095 YIRCKTPYWJGFRQ-HIFRSBDPSA-N 450.521 0.683 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCCS1(=O)=O 1613588863 VRWNBCQYRGOTOH-GOSISDBHSA-N 478.623 0.409 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1692784356 VEQOYYZYVGENFM-ZWKOTPCHSA-N 494.666 0.961 30 20 JCED COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1O 1697454918 UDFJTPCTNWVQOV-KDOFPFPSSA-N 464.548 0.969 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1706865614 BOXIBIAXCPEPTN-CABCVRRESA-N 458.610 0.986 30 20 JCED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)ccc1F 1707296732 TZOCSLFCZJGTLX-SJLPKXTDSA-N 464.523 0.836 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1766958605 MXEKZIDQFRUJOB-MSOLQXFVSA-N 478.600 0.864 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)[C@@H]1SC(=N)NC1=O 1779063582 XMCBAQDDDLYEMF-YHEJKZAPSA-N 462.572 0.317 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779423667 WIPWHPDAJRRWGW-BYIPXSDZSA-N 474.518 0.232 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780598778 VLOHBHARHLRDLG-NFBKMPQASA-N 450.499 0.472 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1 1781102949 JJLAJCLCJVMSMM-VGOFRKELSA-N 480.460 0.265 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)NC=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1781254192 FPLGERJJHYHEKG-HOIFWPIMSA-N 450.536 0.516 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782198414 RCZGAAFIFOUZCS-YKSBVNFPSA-N 490.524 0.349 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783538758 XXVVBGHLASQFGV-YXLPEQJMSA-N 464.522 0.585 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)NC(=O)OC(C)(C)C 1784118805 HIHFZPFAGCLUKD-OSPHWJPCSA-N 490.557 0.601 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784389584 GYDJRPFVGTZPED-VJANTYMQSA-N 477.558 0.836 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785349678 KCRZZQFELRZTDB-IIBYNOLFSA-N 456.609 0.687 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786743425 IXTCXYJLOFTJCF-FJIDUMEYSA-N 466.579 0.914 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788639405 BFDQVAHBRPRLQU-FKSLSLAPSA-N 454.520 0.034 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(C#N)c4)[C@H]3C2)CC1 1789509049 AXGSMIBMDNXQLS-ACRUOGEOSA-N 474.583 0.823 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C[C@@H]21 1791077140 MLLZJOJVHJGDKX-FTRWYGJKSA-N 477.477 0.178 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)C2 1792484267 KJWFNBPZVRNPED-JKESYPDYSA-N 486.594 0.545 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)Nc1ccc(Br)cn1 1794115114 BMHMFQXIBACBLQ-NXCRSVRDSA-N 493.314 0.240 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c(O)n1 1794489132 GDZXCFQYEWOLKY-YVWYUNDQSA-N 480.525 0.363 30 20 JCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797105038 TUDLSIFILIAARE-CWPLJXCYSA-N 462.510 0.968 30 20 JCED Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)no1 1797810884 AQMOSGKTEWSFCO-JFUVVPLISA-N 463.491 0.430 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)O)C2 1798357935 JYURMEBSTYUJAI-ZOFXXKQRSA-N 468.551 0.811 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2 1799156098 AZAYTVWKHDSSIU-BDEKUHOQSA-N 477.558 0.393 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)C1 1799200111 RHOLDIOPPAWHSH-WAUMXQNTSA-N 493.605 0.276 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1799683662 JUZNTLITUBRKKW-MNDZRTMASA-N 476.505 0.673 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N)n1ccccc1=O 1801991855 AOLXEJKKPVOLIH-CVFMPKEZSA-N 450.495 0.950 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1802124443 BCEVRLYALDKUJR-VQQMMKBISA-N 490.601 0.895 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1802496473 BPBYARFDIQSAGO-WUDFEMJASA-N 487.607 0.806 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1810566849 UVJNZJPEOOGZRZ-WYUHHXHFSA-N 475.546 0.768 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cnncc2C(=O)O)[C@H]1c1cccnc1 1810792607 HILHIQHCIBNURF-BDGDHSELSA-N 464.482 0.748 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCN(C(C)=O)CC1)CC2 1819714637 OBXMFDKJFIFXTO-QAPCUYQASA-N 463.604 0.792 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1819777136 RFEOGERSEFWJQV-HFPPPRFQSA-N 450.565 0.177 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1823018294 PQACIZZTPRLVCL-WCQYABFASA-N 466.516 0.419 30 20 JCED C[C@@H](CN)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332503 OJQXYYNJMAZZED-SBUREZEXSA-N 456.499 0.121 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C\C(=O)NCC=C)CCO3)C2)c(O)n1 1829763933 GECWJEZGGRLQHY-HAAQQRBASA-N 484.553 0.834 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)nc(OC)c3)C2)C1 1829769504 WWOSIQVEOVBEHI-QATSOJGNSA-N 478.933 0.672 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)cc1 1829907274 FBHAKHQSGFSYFP-OAQYLSRUSA-N 456.528 0.468 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1830573720 NUCXFQJKMMFTOE-HOIFWPIMSA-N 455.552 0.541 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216168 YZGIVTFBZKRHKU-YADARESESA-N 477.558 0.492 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(=O)OC)c3)C2)C1 1831399210 RMRCTGOCAJJEOP-SBUREZEXSA-N 459.499 0.973 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831498756 POXBPIZZDSJUPD-CTNGQTDRSA-N 462.609 0.467 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831959033 KPOZZRBHFQPQOV-YOXWTLATSA-N 450.442 0.288 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1 1831998165 KGZSPCVGWHRGKM-UZUQRXQVSA-N 477.562 0.960 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1831998598 IYNOZMYLZJUGHG-YTZAWJCFSA-N 496.605 0.827 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)CCO2 1832005090 CJVKBCGDSNGBFX-FZONSQQESA-N 450.532 0.461 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccn(CCOC)n3)CC2)CC1 1833074828 FYRJAWDCJSVHIZ-PLNGDYQASA-N 472.590 0.573 30 20 JCED O=C1CN(CC(=O)NC2CCN(C3CCN(C(=O)/C=C/C(=O)c4cccs4)CC3)CC2)C(=O)N1 1833711508 XHAOSEXRNZDOQF-ONEGZZNKSA-N 487.582 0.610 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116853 IATKWTMIKQVTSS-GOSISDBHSA-N 468.620 0.022 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)CCO2 1835536845 RJPNESSDLWTYCO-UZUQRXQVSA-N 496.609 0.175 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)c1 1835703503 VMTNSRFQGGLVTG-URXFXBBRSA-N 465.510 0.732 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)CNC(=O)C(F)(F)F)CC3)CC2)c1 1836170839 PXNOSZPGYWTRJE-UHFFFAOYSA-N 454.453 0.750 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CN(Cc4ccccc4)CCO2)CCO3)c1 1836688476 VIYHSKVXFSOMBQ-BVAGGSTKSA-N 493.564 0.857 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1837311635 IZBIVTRHGBIGRG-JPYJTQIMSA-N 474.514 0.981 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1837399516 VRUAWZOBYHZISZ-NRUMPKIHSA-N 475.542 0.482 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN(C)C(C)=O)C3)C2)c(C#N)c1 1839131490 HODVFMDZHLHBCX-XMMPIXPASA-N 472.542 0.434 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)c(C#N)c1 1839132581 KRANUANEPBNYLL-VWLOTQADSA-N 495.536 0.859 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1839136108 HBGYABWUJUFXQZ-SBUREZEXSA-N 483.562 0.865 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1839174656 QEWMFEHIIJQABK-JOCHJYFZSA-N 465.478 0.809 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)CCOC1 1839191773 NODNCMZYCLVKDV-NHCUHLMSSA-N 452.508 0.040 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839229126 ZRHGCMDIDKXQOI-AUUYWEPGSA-N 472.589 0.104 30 20 JCED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)cccc1=O 1839487732 VFNFXWJGMUMSCZ-XMMPIXPASA-N 476.493 0.517 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839570612 WGBHLWTTZYVSNZ-QNRXVKNXSA-N 471.514 0.933 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)C2)C1 1839806279 IBGHPVIUSVTARY-YVHKJVDXSA-N 453.511 0.671 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c(CC)c3I)C2)C1 1839807626 IBMYSNJVGQAMEO-GOSISDBHSA-N 486.310 0.290 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C2)C1 1839809735 JPGBPHNZZNLOHO-MHECFPHRSA-N 468.558 0.357 30 20 JCED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042712 KGOJBMXSOORKQP-QQMNAOGKSA-N 479.530 0.034 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccc(Br)c4n3)C2)C1 1840044685 ROYYRGNRJNNHOD-HXUWFJFHSA-N 491.298 0.255 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cscn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c1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)CC2)c1 516015785 SSXDGPNODMGESX-UHFFFAOYSA-N 481.538 0.711 30 20 JCED CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 516406353 IJLKNCDAXKMRLB-UHFFFAOYSA-N 469.523 0.780 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C)c1 604118309 CKGFMVQKCPIUSE-UHFFFAOYSA-N 453.545 0.860 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O 608912608 XOHSMTBQYAKTKI-UHFFFAOYSA-N 453.343 0.024 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 608912749 ASOUUFWCXMEUMR-UHFFFAOYSA-N 476.536 0.239 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)C1=O 726043609 WSUQOWDYIGMQSG-UHFFFAOYSA-N 470.482 0.236 30 20 JCED C#CCNC(=O)CN1CCN(Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCC)CC1 728572746 DXRDZLCGMIFIFM-UHFFFAOYSA-N 460.604 0.564 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCS(C)(=O)=O 729675221 VMQGJCDVEIKYFO-UHFFFAOYSA-N 463.537 0.981 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)c1 918279889 NUUGIADOFOCIPX-QJOMJCCJSA-N 487.604 0.274 30 20 JCED CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 918584414 NECDTXFBIFZICE-UHFFFAOYSA-N 451.501 0.837 30 20 JCED N#Cc1ccc(NCC(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 919628316 YCTZHUSQYAWZNU-UHFFFAOYSA-N 472.523 0.851 30 20 JCED CCn1c(=O)c(=O)n(CC(=O)NCc2ccc(C#N)cc2)c2cc(S(=O)(=O)N(C)C)ccc21 1115842510 RHYJHALZKBJSOR-UHFFFAOYSA-N 469.523 0.621 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1286943100 SKDPGPMJDKVBAJ-WOJBJXKFSA-N 487.586 0.582 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1CN1CCCC1=O 1288870095 MMRQVBLVCNAGRD-APWZRJJASA-N 487.586 0.788 30 20 JCED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1300190983 KDEAIERDELRGCP-HIFRSBDPSA-N 450.521 0.683 30 20 JCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 1308996464 MAJVYGOECVNNPB-CYBMUJFWSA-N 453.464 0.891 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1509701467 ZZKWMISIMACMSO-ULQDDVLXSA-N 459.530 0.491 30 20 JCED CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1509740674 KQHXFSBQBJEINW-UHFFFAOYSA-N 455.519 0.548 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CCO1 1517538093 LRCUEFGESXYPBS-LJQANCHMSA-N 453.547 0.879 30 20 JCED CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)C1CC1 1519520742 NOEAEGCIHSTBKM-UHFFFAOYSA-N 458.544 0.689 30 20 JCED COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1619780181 WUZWDRAVXSTCJJ-VGSWGCGISA-N 455.519 0.730 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1729343181 NGAUIIDTXSKNKY-UZLBHIALSA-N 496.590 0.921 30 20 JCED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1=O 1749860972 UJZODLWWFRQBAZ-IBGZPJMESA-N 481.557 0.607 30 20 JCED Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)n(-c2cccc(=O)n2C)n1 1777715317 RGVVZIHJYMOLHU-HOYKHHGWSA-N 481.509 0.095 30 20 JCED CCSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778980696 XWKCKUFHHVEEBL-ZHRRBRCNSA-N 483.587 0.941 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](O)N3CCOCC3)C2)c1 1779415953 HYDLDJSKMZOMJK-FGCOXFRFSA-N 472.542 0.345 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)ccc1F 1779528009 BLJWWSKTANQJAW-QFIPXVFZSA-N 453.430 0.872 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780203671 NSASISDUSRQYJK-NYHFZMIOSA-N 472.502 0.923 30 20 JCED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170234 XWHSXCMIPJJTAH-HXOBKFHXSA-N 477.562 0.492 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C1 1781610869 JIZUTNQTPYLLTE-QZTZHPFYSA-N 478.590 0.895 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)CCO2 1783896533 ASFMMAGGCWRYFI-ZWBPQZFFSA-N 469.604 0.893 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1783993596 PQWUUFCXXGOEML-HAGHYFMRSA-N 493.601 0.550 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784501818 WHJXYQCPOCTKOT-BSZJXLGXSA-N 460.531 0.564 30 20 JCED CN(C)C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21 1786740683 ZYMXPHWKNHZLCO-CQDKDKBSSA-N 453.421 0.654 30 20 JCED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)S)C[C@@H]32)n(-c2cccc(=O)n2C)n1 1787153650 LGKKHUUPPJXASZ-OVWQWFNUSA-N 459.572 0.791 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787493063 PGHXEJLLIASSOC-AAEZLKGMSA-N 452.577 0.751 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)OCCO4)[C@H]2C1 1787809636 DKRDFUDNHSEGLA-KJDLQJKJSA-N 455.511 0.910 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)c1cc2n(n1)CCCNC2=O 1788256604 BNHPEZUZZJEVIF-IPJJNNNSSA-N 461.522 0.662 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(=O)OC)nc3)C[C@@H]21 1789892507 YVMZWTFFMKTJEW-LNLFQRSKSA-N 459.499 0.971 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1789935847 MBHJJXMCVGXTGY-MHORFTMASA-N 464.563 0.936 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cnnn4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791379918 DTVYESCNXSEASE-XSLAGTTESA-N 475.550 0.218 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)n4cnnn4)[C@H]3C2)c(C#N)c1 1791687058 AEIYEHSOIKXNTG-VTCANLHHSA-N 453.503 0.337 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1792451445 TXLGBHUIPZSKKW-JRVAAPGDSA-N 471.620 0.902 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@H](C)C#N)c1)C2 1793316208 HKZZCTRCZWIFBP-MKRDWBOCSA-N 462.572 0.845 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)c1 1794318880 HAPQRLLXJVMCNE-HATOLVCRSA-N 453.520 0.740 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795288474 IRRUREBUGCTOMM-VBRUWADQSA-N 476.574 0.551 30 20 JCED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1795358733 LXDFTKOGYFCSKK-QHBPRCKVSA-N 460.434 0.220 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CC#N)c2n1 1795463156 HJZSNLLPIWURQR-BTTYYORXSA-N 454.491 0.678 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1797815988 CEYTXFZPSDURQQ-KJOFTXCUSA-N 460.466 0.601 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc5n(n3)CCNC5=O)C4)c2c1 1800873470 HDHWLKNEGZZAQF-QDMKHBRRSA-N 458.482 0.940 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)OC 1801040679 OIHACCCVFSMHQG-AVEIZBFRSA-N 498.577 0.416 30 20 JCED CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)CC1 1801991328 MDKLYOYDQMAOPX-IRJINJETSA-N 455.559 0.164 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802080247 PAXMVWMUFQHZOU-BPHLJZQPSA-N 458.515 0.688 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccccc1=O)C2 1802125756 RFXNDEAACYLSAW-RFBJODPTSA-N 486.569 0.916 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CNC(=S)NCC)[C@H]1c1cccnc1 1802490507 RQIWBCWYQKDBNW-KSALOMHHSA-N 458.588 0.430 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@@H]2c2cccnc2)ccc1F 1808559666 FKHWQTLMZSUFSK-IEXUWNMDSA-N 481.528 0.991 30 20 JCED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)C(=O)O 1810328149 VRQVFNLICGFVTH-WOIUINJBSA-N 456.543 0.849 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CNC(=O)c2cc(C)on2)[C@@H]1c1cccnc1 1810375608 YKABFJODQAVCML-KGPYNAKISA-N 480.525 0.672 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1811797292 WQIRJPBTWUMMSV-JTHBVZDNSA-N 451.527 0.559 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1 1814436204 MMOYRFTXDIKFPV-WLMCBFPDSA-N 466.502 0.514 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817249224 HNPQPZVAEIFRJR-ZOBUZTSGSA-N 489.577 0.911 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccon1)CCN2C(=O)OCc1ccccc1 1828751092 LQGPNZJAFNPONM-QHCPKHFHSA-N 466.450 0.828 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828911940 YLSGMNMOQRVFQZ-PESPDQJRSA-N 481.663 0.808 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCN3C(=O)OCc3ccccc3)C2)CC1 1828990856 XCIYEYDDEXIEHR-KBMIEXCESA-N 496.568 0.335 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCN2C(=O)OCc1ccccc1 1829257075 OGXQEVLQJOAIAQ-BSRJHKFKSA-N 457.458 0.885 30 20 JCED CC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3(C#N)CC3)C2)C1 1829301753 WGVFPXYGWITLDH-DEOSSOPVSA-N 467.526 0.878 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccccc4C(=O)OCCO)C3)C2)C1 1829669783 GPGNZEGPVXRALN-XMMPIXPASA-N 458.511 0.872 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1829690698 DFFGOFGQEJQXEN-PDIWNELESA-N 480.562 0.364 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456043 CPORJQVTQQBIMR-KOSHJBKYSA-N 456.543 0.862 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)CCO2 1830742597 JBZJIKIAKPXSTM-YLKSCKIRSA-N 494.589 0.462 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1830836475 WBFJSELPTVXMGS-BCHFMIIMSA-N 499.564 0.649 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)c3C(F)(F)F)C2)C1 1831392774 OOGJQBZHJNHRPL-IFXJQAMLSA-N 458.437 0.547 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1831418289 BIQDDQHOJCLOJE-AVRWGWEMSA-N 485.537 0.720 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCC)C2)C1 1831998648 PHJCVRGWQWYJQT-HTAPYJJXSA-N 455.552 0.949 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834874306 VTZBLWNIQRHNRG-FQEVSTJZSA-N 487.605 0.766 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)C(C)(C)O 1835364731 FJYZYYBJWVWLSK-VGOFRKELSA-N 468.551 0.411 30 20 JCED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835628329 JDCMKMBSXMMOGU-JOCHJYFZSA-N 457.462 0.889 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674589 AEIDGZPZGLDZTO-JOCHJYFZSA-N 451.568 0.031 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750789 NIYGAKPNUDKEFI-LJQANCHMSA-N 481.659 0.937 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(O)n[nH]5)CCO4)C3)c2c1 1835858516 ITCNNLIVUOTIQP-OAQYLSRUSA-N 451.443 0.247 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1836289887 NIPIQRRZAQNOAO-XMMPIXPASA-N 497.556 0.186 30 20 JCED CCOc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cnc2c1cnn2C 1836376759 JBTGTJJCNZXJEV-QHCPKHFHSA-N 468.514 0.741 30 20 JCED COc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)C=CC4=O)CC3)CC2)c(C#N)c1 1836389404 FEXFBASUJLXXLA-UHFFFAOYSA-N 493.564 0.606 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837049710 ISMOTSGFUKPERI-XZEIMLRBSA-N 460.560 0.938 30 20 JCED CCOC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)ccn1 1837445082 BOAIJQKDKNKOSG-ZDXRRBIGSA-N 487.557 0.800 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cc2C1 1837445982 DPONWPABYIAZCY-SFFGGSCWSA-N 487.605 0.260 30 20 JCED COCc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837490621 JDFCQRARQWUSPH-XMMPIXPASA-N 459.543 0.930 30 20 JCED CN(CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)C(=O)OC(C)(C)C 1837526828 GQXLSFDANFLGHP-QWPYIFRSSA-N 498.577 0.839 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838091957 UMIICRQFABUYGU-SFHVURJKSA-N 481.546 0.613 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1838471572 RCXMLTUOIDILDH-KSFYIVLOSA-N 474.518 0.202 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc([N+](=O)[O-])cc5c4OCC5)CCO3)C2)CC1 1838525078 FEIFLWGBUCFHFX-QFIPXVFZSA-N 456.455 0.903 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1838534297 KQDLCHRFJDYAKS-XMMPIXPASA-N 468.485 0.709 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC(F)F)cc1F)CCO2 1838558330 BJDRZCLPDMMNIX-FQEVSTJZSA-N 456.373 0.585 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)c(N(C)C)c1)CCO2 1839114673 WXWILRPEDHVFQH-RRFNBQSRSA-N 486.569 0.690 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1839130895 ZOIJESSWUGBIMN-JXQFQVJHSA-N 494.589 0.274 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)ccc1F 1839186536 ZRVCAXPYFSZJHR-VWNXMTODSA-N 467.501 0.791 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839372792 HKXPWWJKECUEGK-QFIPXVFZSA-N 464.471 0.383 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)c1 1839420339 CGZQHGWULPXWIM-URXFXBBRSA-N 467.501 0.732 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nc2nccn12 1839549023 PGSYARIBJVXBGV-JJDHCWFKSA-N 466.498 0.820 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2)C(F)(F)F 1839693561 NIYQDFDYAMHLDZ-NRFANRHFSA-N 468.476 0.958 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)ccc1F 1839783519 HGPWWZAVJWARMI-KNQAVFIVSA-N 479.530 0.273 30 20 JCED COc1cc(OC)c(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1840041266 AXLYGUCVGCCXBD-OAQYLSRUSA-N 468.409 0.140 30 20 JCED CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043777 UGAKXNAVNBWEJT-XKDCRVNJSA-N 481.546 0.470 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13C[C@@H]1CCN3C(=O)OC(C)(C)C)CCO2 1840082946 YSUAHFOXSMNWKG-QXVOXHNYSA-N 491.585 0.881 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(O)cc1 1840220604 VIDUSFOYPFCQLY-YADARESESA-N 454.479 0.434 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840290822 JOWGMWDXMJOENO-PDSXEYIOSA-N 471.576 0.687 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(O)cn4)CCO3)C2)c1 1840498255 YIMGFEHICDYOEB-XMMPIXPASA-N 466.494 0.980 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 1846122799 VIXARYYIPCMPCN-INIZCTEOSA-N 460.531 0.994 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(C)C 515923242 BHVHNHXISFKTJX-OAHLLOKOSA-N 477.608 0.623 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)CC2)nc1 516483583 SBHURJICHSSUJI-OAQYLSRUSA-N 490.520 0.255 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc(OC)c1OC 524281112 HBXPKRAZKUXGJB-UHFFFAOYSA-N 459.524 0.539 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCNS(C)(=O)=O 524282209 WFOIADNFGMMJRA-CYBMUJFWSA-N 451.545 0.716 30 20 JCED Cn1c(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(C#N)c(=O)n(C)c1=O 589785207 RMHXSYJLJHFGMQ-UHFFFAOYSA-N 468.333 0.229 30 20 JCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 590908929 UTPATZBAEHJVTD-CQSZACIVSA-N 475.567 1.000 30 20 JCED Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434443 HOULXZCCNAXHGP-UHFFFAOYSA-N 456.480 0.688 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828341 QOKXCWGMXNYDIG-UHFFFAOYSA-N 482.949 0.917 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828551 BEJDMMMILMBAIB-UHFFFAOYSA-N 483.575 0.028 30 20 JCED CN1CCN(S(=O)(=O)N2CCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)CC1 612314617 LQXCHZOLANQWJL-UHFFFAOYSA-N 473.521 0.876 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 728533218 DBOIIBUBJOUQAP-ZDUSSCGKSA-N 461.316 0.327 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2(C(=O)NC3CC3)CCC2)CC1 729739598 SOLTUUWGZITNHL-UHFFFAOYSA-N 474.539 0.383 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H]1CCCCN1S(C)(=O)=O 744990357 FIWVRNGAHBISTR-QGZVFWFLSA-N 476.511 0.724 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 916923875 OLIHKGUEWVUOET-IRIXXLTMSA-N 451.479 0.878 30 20 JCED C=CCn1c(-c2ccncc2)nn(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1=S 921044442 BEIUYZKTBOEZBM-KRWDZBQOSA-N 498.656 0.754 30 20 JCED COCc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1315857935 ZEYSMYKFFQEKDA-OALUTQOASA-N 476.559 0.534 30 20 JCED CSC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519685256 UWQXFKDCKHFZOS-SJORKVTESA-N 483.664 0.929 30 20 JCED Cc1cc(N(CCC#N)C(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccc1Cl 1616498156 XAVXUOBKYFRROD-MOPGFXCFSA-N 454.980 0.671 30 20 JCED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1618348164 USTUNLCTHAVRHI-UHFFFAOYSA-N 452.562 0.333 30 20 JCED CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1635702130 ZTHCGYAQMQPNDB-HXUWFJFHSA-N 454.508 0.956 30 20 JCED CCOC1CC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)(N2CCOCC2)C1 1696186668 ZZFJFYSHSSVFAV-BWDFOLQRSA-N 495.650 0.898 30 20 JCED CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)(C)C 1697176367 YDZKRGWYDOKXPT-IPMKNSEASA-N 495.650 0.849 30 20 JCED CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1728511291 BNQYAQFLYDLNTL-WOJBJXKFSA-N 494.666 0.518 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N(C)C 1744087318 RNNXGXQGJDOSHY-UHFFFAOYSA-N 453.551 0.878 30 20 JCED CS(=O)(=O)CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)C1CC1 1750206387 YGPDSORRVACFBY-UHFFFAOYSA-N 488.570 0.601 30 20 JCED CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)N(C)C)C2)CC1 1767140949 QKQDXZMXFCOSNW-NRFANRHFSA-N 486.646 0.924 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1778967602 MBCIAABZPIYUCV-CLOONOSVSA-N 485.585 0.425 30 20 JCED Cc1nn2cc(CC(=O)N3CCO[C@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)nc2s1 1779014253 CGKUCOXJRGJYSB-XZEIMLRBSA-N 459.576 0.943 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(=O)O)ncn1)C2 1779419559 AYUBMDLMTMEVPK-KABOAARRSA-N 475.502 0.831 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1781166500 QYZGXKPOQFAVRS-IUKKYPGJSA-N 464.563 0.648 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)ccc1Br 1781904272 HYOCFMMOAKKWCG-HNAYVOBHSA-N 463.288 0.873 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010369 KENOJAIOACFCGD-BMCPXHGSSA-N 481.521 0.936 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1782069196 FYWABFKYWNOIPY-HYBUGGRVSA-N 481.590 0.890 30 20 JCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CCO2)C(F)(F)F 1783210933 LKFCKRBLHCGZES-KSMMKXTCSA-N 490.504 0.115 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1783603581 NRNZIFQJBOTYQE-DMXCXFHSSA-N 469.567 0.883 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCN3C(=O)OC(C)(C)C)[C@H]2C1 1784815695 VCTROHLEPFCKJU-SWLRZZBJSA-N 476.574 0.834 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CCO[C@]4(CCN(C(=O)C5(C#N)CCC5)C4)C3)csc2n(C)c1=O 1785367190 AMFIHNKNMBIVAA-HSZRJFAPSA-N 485.566 0.365 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1785576768 MZKHSZSDASXFHT-BTYIYWSLSA-N 469.560 0.551 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1785593580 CPOHMENPMVUBHZ-MQNAVGNWSA-N 467.563 0.949 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1785609117 OVVRRUNKAOICAG-OYHNWAKOSA-N 463.535 0.279 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787152251 JLRNHDHPSNXOGH-MGBSGCIJSA-N 466.560 0.005 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21 1788570413 RURQTGYOPQMQLQ-CYDGBPFRSA-N 454.417 0.894 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1789892353 USJPSWJARJSBDG-VJANTYMQSA-N 497.589 0.751 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1791413836 DCOQYXYRVRJSNO-XSLAGTTESA-N 463.531 0.701 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793431916 BLSOZEFWLLGGMP-PKRADWSKSA-N 478.590 0.784 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O 1795773039 BTFLUYQYVCFNFI-BMQTXXJKSA-N 474.558 0.907 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N 1796043458 SDSHXCMDWOLRAS-YVSFHVDLSA-N 451.568 0.792 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Br)cnn1C 1796748833 NLFYIRABQCQJSG-AYRXBEOTSA-N 455.353 0.959 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)cc2)C3)CC1 1797140705 DDSVVUUTUTUVNZ-ACDBMABISA-N 460.556 0.433 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797741048 VACRTFJXVVWRBZ-IVZHHQAMSA-N 493.605 0.418 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC(=O)c2cnccn2)C3)c(C#N)c1 1799239759 LMHYYISNEWNXIE-RTNRFSENSA-N 492.536 0.307 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1800806549 FRSSHJJHOGDHLF-HTPGKPQGSA-N 471.620 0.901 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988038 WNAFCGNWKHDREC-KBSGVYECSA-N 469.560 0.375 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1802188208 PWWAZZMSBDBKEU-RMFSNUHRSA-N 476.574 0.622 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@H]1c1cccnc1)C(C)(C)S 1802924417 HOZWSRGCDKDOMP-ARFHVFGLSA-N 482.603 1.000 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804356498 ZUOXWPNSTXYLFQ-GJYPPUQNSA-N 457.487 0.195 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@H](CNC(=O)CC#N)[C@H]3c3cccnc3)csc2n(C)c1=O 1806284407 REBUTCQTNHHBCH-FOIQADDNSA-N 480.550 0.856 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)[C@@H]2c2cccnc2)CC1 1809600669 URKADQCZDAHZPZ-SISVQMPKSA-N 472.590 0.864 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CN)C2)CC1 1809670867 GQTPOECUPDGELO-QGZVFWFLSA-N 481.594 0.982 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)C[C@@](C)(O)CC(=O)O)sc2C1 1826068300 NPBABVHUMUQCLU-JYRXRCSTSA-N 450.517 0.529 30 20 JCED Cn1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n1 1829332628 SGOWJAYGIDZBTI-XMMPIXPASA-N 479.493 0.574 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1829352423 UVCXISHSRRUFOY-KOSHJBKYSA-N 483.525 0.613 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCn1cncn1)CCN2C(=O)OCc1ccccc1 1829388072 WUCGHWCEHKIQKQ-XMMPIXPASA-N 494.508 0.208 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)c4ccccc4o3)CCO2)C1 1830306005 DMLAJPVEEXHGQY-BXKMTCNYSA-N 454.479 0.901 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)CC)CCO2)C1 1831191334 LXGRMGCSSYKTRC-RHGYRFJNSA-N 496.605 0.827 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(=O)OC(C)(C)C)C2)C1 1831402553 KDMVNISVCWUTMM-STSQHVNTSA-N 467.563 0.784 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1831427746 UVQDJJUVUFIDRM-IERDGZPVSA-N 450.492 0.359 30 20 JCED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1832291186 XBKFXRBLZWJPTH-BDNZGDGKSA-N 463.556 0.812 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832879046 NDDPLZLPDXYMOU-MBSDFSHPSA-N 462.547 0.164 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833032202 YIZKFBPCADMEKQ-VGSWGCGISA-N 465.572 0.507 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](Cc1ccncc1)NC(=O)OC(C)(C)C)CCO2 1833106894 LACBSPZMTQIMJE-CJFMBICVSA-N 486.569 0.997 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3ON=C(c4ccccc4)O3)CC2)CC1 1835676754 LWYSFWTWJHPZCL-HSZRJFAPSA-N 454.483 0.381 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836872017 QGCMZLRYUJEWNA-DEOSSOPVSA-N 467.526 0.498 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837403319 KFLYHFUPGYYIGH-KSFYIVLOSA-N 461.494 0.512 30 20 JCED CCn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cc1C 1837531760 WCZUEOUZJMQEEK-KHLOOKIASA-N 463.535 0.810 30 20 JCED CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533259 MPVIXNQRLYEEKA-IQZTVQLZSA-N 466.579 0.845 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1837566734 JDCWETIPOUSAKU-ARONNNLVSA-N 472.542 0.556 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1)c1ccccc1 1837612830 NEHYPQGJDCFTDL-BPYKYCOYSA-N 470.570 0.233 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)n1 1837657469 ZPLUPPCWCNXWHS-AREMUKBSSA-N 478.549 0.795 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1837869537 WSZLDSBSYUODIQ-UHFFFAOYSA-N 499.616 0.911 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838503066 ALTRAJXPFPSKDV-HXUWFJFHSA-N 463.441 0.371 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Cn4cncn4)C3)C2)c1 1838582299 JOTFZFHYNSHBPW-HXOBKFHXSA-N 468.514 0.565 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839223198 OXAUGNNVTBKRLS-HTAPYJJXSA-N 461.519 0.069 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c(Cl)c1 1839424534 PGIQXOBWDDMLRO-JOCHJYFZSA-N 487.900 0.856 30 20 JCED C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)C(F)(F)F 1839487429 IFLWWTIKCPSZQF-UXHICEINSA-N 481.431 0.818 30 20 JCED Cn1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn1 1839489495 ZASLFTODOACAGZ-HSZRJFAPSA-N 463.498 0.481 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839636878 QVVUDJNUWHUVKA-MFTBFKHKSA-N 482.585 0.681 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1839784096 JAPFWPULWBJOJC-RXVVDRJESA-N 465.503 0.345 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C(=O)OCC)C2)C1 1839810621 JHHJERIKVZNYEH-GGUMNFRJSA-N 493.557 0.122 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1839871436 IHRUZDJPGCCFPQ-DFIYOIEZSA-N 469.538 0.482 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840071742 GWKCQEFAYUZSJK-PDIWNELESA-N 480.562 0.507 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840166560 PVVQGQJGNCRLKZ-FDDCHVKYSA-N 467.563 0.522 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)C1 1840172530 UCSBMNIVYCFLRI-HSZRJFAPSA-N 457.531 0.054 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)ccc1F 1840232495 YWWYNUJURORPEF-GAJHUEQPSA-N 458.490 0.222 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1 1840278702 YAOWXDWYVKFODJ-HLHNIQGOSA-N 486.569 0.944 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c(O)n1 1840379279 HPXGGUOGPNMCIC-QFIPXVFZSA-N 488.570 0.886 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840780778 ASGWVTQJKSLRSM-IYZQMXKPSA-N 461.490 0.246 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)Cn3cnnn3)C2)CC1 1843084565 VQHWJTFWIRGWDE-UHFFFAOYSA-N 458.523 0.417 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1847100634 OJUAZYSGBOMASZ-HJPURHCSSA-N 459.547 0.867 30 20 JCED C=CCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 11677334 DLDHHYUBWYKLKO-UHFFFAOYSA-N 451.545 0.762 30 20 JCED COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 19420151 LQQNYYMVMKKPQJ-PKTZIBPZSA-N 454.483 0.964 30 20 JCED Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 608828274 MADNPOMOFJECQW-UHFFFAOYSA-N 465.560 0.888 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(OC)nc1 608883811 INGSQDNLEPXDDG-HNNXBMFYSA-N 480.546 0.965 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 728534318 HAHWOPZAYGNEJQ-UHFFFAOYSA-N 485.522 0.903 30 20 JCED COc1cccc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1OC 729429829 OGIHVRFIFQKCNS-QGZVFWFLSA-N 458.496 0.819 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2cc(C)ccc2C)CC1 839013768 RJPIKYKULJPUCR-UHFFFAOYSA-N 476.606 0.917 30 20 JCED CC(C)CN(C(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 921172468 USBAPJYIVOXKOS-QGZVFWFLSA-N 485.584 0.707 30 20 JCED C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)N1CCSCC1 1286971141 UCWICPZFTKKAKD-HNNXBMFYSA-N 455.610 0.375 30 20 JCED CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1295175207 UZPXEAXKYSKOHT-SFHVURJKSA-N 478.600 0.866 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1298013547 QCTACWFJQNOIRY-UHFFFAOYSA-N 450.547 0.553 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1302469537 QSUJRPCBCQIGSM-FUHWJXTLSA-N 457.560 0.800 30 20 JCED CCc1nn(C)c(CC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1306046015 PBLRGZIMPMIXPH-ZIAGYGMSSA-N 450.569 0.524 30 20 JCED CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1)S(C)(=O)=O 1314700499 QOXDUQVYBRDRMZ-UHFFFAOYSA-N 466.589 0.722 30 20 JCED N#Cc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)cc1 1544168234 YEZGXKMLNWQWGA-UHFFFAOYSA-N 453.524 0.641 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCO[C@H](C)C1 1545094765 ZMHNRXXQDVPZOM-IXDOHACOSA-N 455.585 0.118 30 20 JCED CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C1 1618636433 NQAHJELAJJEHKT-OAQYLSRUSA-N 464.574 0.943 30 20 JCED N#Cc1c[nH]c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1=O 1652052937 DXQPILLLSDLVPC-UHFFFAOYSA-N 453.480 0.095 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccnc(-n2cccn2)c1 1692786162 RYXPLHBUCCCGSW-IFXJQAMLSA-N 459.511 0.959 30 20 JCED C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1706823017 YJZJHQDUTPSUNT-QGZVFWFLSA-N 461.592 0.770 30 20 JCED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722487991 YQJXLIHJTMHOIV-ZDUSSCGKSA-N 461.386 0.779 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1778957381 QUJMNCKEYXKPEY-HJPURHCSSA-N 457.531 0.647 30 20 JCED Cc1nn2cc(CC(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)nc2s1 1779014252 CGKUCOXJRGJYSB-MHRHTVJOSA-N 459.576 0.943 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1779444593 FKRMDFKEVFKXHT-ZRDVYVFISA-N 451.545 0.790 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781353315 KESPHTXKQUQFHP-DGGJZMOXSA-N 469.579 0.665 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1781655474 FDXFDCLRBZKZCL-CBGDNZLLSA-N 456.561 0.587 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784597374 LBGFOTIEHQGMQD-PNCHPQGNSA-N 489.577 0.761 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1784784507 CGJSFPNXMZRVMV-JKQORVJESA-N 491.545 0.951 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1785577498 XNWVCERHQLOWHE-WAIKUNEKSA-N 475.546 0.789 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785724618 NBXYPZONPOFQAN-STSQHVNTSA-N 465.547 0.491 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)=O)[C@H]2C1 1786347763 HTFPGRBVZNSKDK-FJIDUMEYSA-N 496.561 0.361 30 20 JCED COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)n1 1787637108 YMQINYWYCZEVQV-HMNATIFRSA-N 463.535 0.652 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21 1788470852 JKOBYZMCWMJTTI-FGVQXAILSA-N 499.446 0.630 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)[C@H]2C1 1790666603 SSQZUIMMBXHUJX-RMCGQVEASA-N 469.582 0.640 30 20 JCED CCCN1CCN(c2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)cc2)CC1 1791077570 JHPWRWRMJPZYAU-PMVMPFDFSA-N 482.581 0.900 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1793600002 OTHAQXJNOWIVBI-UJHHCITNSA-N 450.536 0.182 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2)Cc1cccc(C#N)c1 1793872241 DDNSHEKAQYIMAP-VLVHOKLOSA-N 485.585 0.932 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CNC(=N)N)CC1 1795984321 NYBSXHYSJPBRKU-MUJYYYPQSA-N 461.567 0.649 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O)c1ccc(O)cc1 1796347158 APUZQODNLYEXOP-PZTGFMGMSA-N 466.494 0.994 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NNC(=O)C2)N(C(=O)OC(C)(C)C)C1 1797686683 LIEVGPXNRKPMIV-KPEUIFRASA-N 461.519 0.018 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccccc1=O 1797938597 OSPDGGCDMOUHPM-XLIFZOOWSA-N 486.569 0.916 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccccc2C(=O)OCCO)c1 1798565267 JNFLAMMPESEYAG-CWPLJXCYSA-N 452.467 0.552 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798595148 VJAPGNONQDLCQG-FSDCSDTHSA-N 461.544 0.836 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)cc1 1798693917 DTQRDIVRYTZXMP-UPHUGPLXSA-N 456.524 0.872 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799196008 LPAXMSWZACIZQG-RFSXOUPVSA-N 471.620 0.758 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799197225 VUWDHPFQTNCERT-RCFCFVIZSA-N 467.563 0.395 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C 1799396021 NGVQKLMMILLDPR-QLCXLMDBSA-N 498.577 0.833 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1800945076 SVBRFQLNLUIFBA-DFGXFYAUSA-N 486.591 0.208 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N)[C@H]1SC(=N)NC1=O 1801992272 AIAHWFWMANDFRG-AYVKHACWSA-N 471.539 0.329 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1802481028 GWDIWWCBAXNVMU-BINQMZBWSA-N 454.575 0.193 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1803507446 DTURMJSNKCUAJX-NZSAHSFTSA-N 478.619 0.697 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803913486 OSOVSRWXDWKHJX-CVAZCKDQSA-N 465.510 0.261 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 1804192642 RGJUVRRGIRABQI-WPVAHCMFSA-N 469.494 0.485 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)cc1 1807949139 NBNSHWPITTTXTC-NQIIRXRSSA-N 483.492 0.907 30 20 JCED N#Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)ccc1F 1808561114 NXUXZOYOZXAPLN-NLFFAJNJSA-N 483.544 0.627 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)CC1 1810287716 YWJDBBQWESFKSY-WFADYGGVSA-N 483.617 0.723 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879961 LJMJYGWHFVPULA-YKSBVNFPSA-N 491.541 0.262 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1813118322 SKCCBYSQHNNBIF-WSCWJOSJSA-N 486.525 0.547 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814979000 AGIPXUCAZRSTJI-IAQYHMDHSA-N 452.537 0.401 30 20 JCED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817813036 MQXABEDFEPIGQH-OAHLLOKOSA-N 455.479 0.824 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(O)nc1O)CCN2C(=O)OCc1ccccc1 1829050484 PNYGWRHNBQCIQW-HSZRJFAPSA-N 480.481 0.867 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCN2C(=O)OCc1ccccc1 1829166772 CVOGYXUBGMCCHE-VWLOTQADSA-N 492.488 0.474 30 20 JCED CN(C)CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332634 SONHONHHVGIIGP-HSZRJFAPSA-N 456.499 0.088 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(=O)OC)c3)C2)C1 1829768540 ARBULAKXAHFYFJ-IBLIISRWSA-N 486.525 0.793 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1830835853 FRRUNRGYRNXFPB-AFMDSPMNSA-N 497.548 0.096 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1831396192 ATMHVIVKZUCVJA-SBUREZEXSA-N 475.498 0.641 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831456651 SEKWBVOXFNZUBK-YONMQOAISA-N 484.596 0.624 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)c1 1832381252 ZQYWQBIVEGYEAJ-HSZRJFAPSA-N 453.499 0.545 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cn[nH]c4)CCO3)C2)c(C#N)c1 1832945129 WULBYBAGSDWCMN-DEOSSOPVSA-N 467.526 0.922 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833020826 OLUSCAQDJCNNFV-NRFANRHFSA-N 466.560 0.745 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1833451292 FHPSZPPJHFPNRX-SJORKVTESA-N 473.640 0.687 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)cc1 1833475275 NRASSPVDKZMUNG-QHCPKHFHSA-N 452.467 0.535 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C(C)(C)C)n1)CCO2 1833582497 HJCLRNJVDFZECA-FUMRIQNTSA-N 459.547 0.567 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)c(O)n1 1833699850 FZWWGRPBYLPRJR-XMMPIXPASA-N 497.508 0.778 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(O)nn5)CCO4)C3)c2c1 1833836587 OHZFZBZHCACFLC-QFIPXVFZSA-N 463.454 0.314 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834388624 RSMLBGLAZIGGMM-PUZWTLIVSA-N 489.573 0.809 30 20 JCED CCc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834519854 WJPFUCYHVLYICO-XGVOGHQPSA-N 450.492 0.836 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)c1 1834563926 LIIYCLPSSSQIHF-XMMPIXPASA-N 478.509 0.190 30 20 JCED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1834572366 YSRMTCYEZQJQLP-UHFFFAOYSA-N 462.572 0.553 30 20 JCED C=CCCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@H](N)C(N)=O)CC3)CC2)c(O)n1 1834737091 ZSUFKPKILSEHOJ-NRFANRHFSA-N 486.617 0.684 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)Cc3cccnc3)CC2)CC1 1835097183 ZXFOIPWGBRFIFP-LXHZQTKUSA-N 468.602 0.381 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731839 KKAUOUJOENOACO-NGIIGVMLSA-N 466.583 0.094 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1836844793 FZTXRRYPQORWJK-LPHOPBHVSA-N 473.636 0.886 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836992858 YGRFXWVKOHVFSN-XMMPIXPASA-N 485.541 0.369 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1837440873 CRQHXHOGAAVHSW-XUHCNCODSA-N 462.526 0.968 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1837443508 CWUJBMRRTNRAFH-XTVKVDEJSA-N 454.531 0.876 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837526376 UOGUXZCIXUGIHI-AIBKJFCZSA-N 453.536 0.955 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1837526752 VNZSSXKRZDCDEK-HUGLXHGBSA-N 468.457 0.959 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1)c1ccccc1 1837616178 ATWCVQKDJAGFHU-XUZZJYLKSA-N 451.527 0.932 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)C4(C#N)CCC4)CC3)CC2)CC1 1838301124 POBFZFQSJIFDAJ-UHFFFAOYSA-N 459.591 0.843 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1838400593 RZNVXIARHWWABF-NRFANRHFSA-N 496.557 0.989 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838510277 YRKNVAACLCCOBD-NRFANRHFSA-N 475.527 0.666 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1839171865 HDXJESCRRWIQPQ-FQEVSTJZSA-N 452.895 0.709 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2)C(C)(C)C 1839222329 KJEAACYZULXPIW-CDMIOBSGSA-N 454.568 0.795 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1839621303 OIDURPDHQZGYGT-JOCHJYFZSA-N 463.604 0.708 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839622957 FICWGITUCCJYRV-UZLBHIALSA-N 451.524 0.893 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839693013 FMIVSUXXMLGQDZ-PXDATVDWSA-N 472.586 0.413 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C1)C2 1839738842 IOBLDYLGLYCIIT-MZNJEOGPSA-N 487.557 0.628 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839774351 UOQIABZIYMZDPW-QHCPKHFHSA-N 478.590 0.658 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839774485 BFNYXBGHKDIKHC-QHCPKHFHSA-N 480.558 0.886 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COCCC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810731 OECRMHQWTNHMQA-KOSHJBKYSA-N 477.558 0.350 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(I)c3)C2)C1 1840043644 LXJRQDFTLMCUMT-IBGZPJMESA-N 498.273 0.449 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840261131 OJIVRJMNJRSZIP-QHCPKHFHSA-N 471.897 0.073 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840452563 VRPXVUYKAKZHKN-MBSDFSHPSA-N 459.547 0.587 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840783009 PJJIBOKMZIIXLA-WMZHIEFXSA-N 450.507 0.961 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCNC(=O)OC(C)(C)C)CCO2 1840905330 GNTVCBWZXHFWDP-XXXZYALBSA-N 494.589 0.606 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1840909307 QFHDASZPHXKGQW-OYHNWAKOSA-N 478.502 0.367 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1840913540 FDIKOSAGWFODPB-DQMJNTIXSA-N 478.590 0.474 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cc1cc[nH]n1)C2 1846366129 SHSMAPZREWKWIZ-KRWDZBQOSA-N 490.561 0.961 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848068707 OIOICEDECQTLGS-QYZOEREBSA-N 483.525 0.611 30 20 JCED N#CCCNC(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 15186105 GMCUSSZPUKLRML-UHFFFAOYSA-N 460.306 0.657 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 26112280 GMIAKUYJVIGUHN-UHFFFAOYSA-N 462.509 0.584 30 20 JCED N#Cc1ccc(CN2CCCN(C(=O)Cn3c(=O)oc4cc(S(N)(=O)=O)ccc43)CC2)cc1 29781361 ZPMZLMYQUWWMPG-UHFFFAOYSA-N 469.523 0.848 30 20 JCED N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)ccc1OCC(F)(F)F 410416657 XKDNSYQZIXVMBP-UHFFFAOYSA-N 480.490 0.933 30 20 JCED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 505868033 KEBPCXFXHYAMSM-UHFFFAOYSA-N 450.546 0.687 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)CC1 508381291 XKSWZILLSPTZBL-ROUUACIJSA-N 489.554 0.325 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3)c(=O)n2C2CCN(C)CC2)CC1 518725883 BIQBMAIQHUXERO-UHFFFAOYSA-N 483.613 0.983 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1=O 522122888 MUJWYOJCCLXCPV-UHFFFAOYSA-N 452.389 0.967 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(=O)N(C)C 604270154 PZKCYSPOLNHDAN-UHFFFAOYSA-N 460.531 0.183 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCCSC 604434309 HHYFBSKAHZWJHR-UHFFFAOYSA-N 476.536 0.591 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(OC)nc1 608884792 YYCXBSXTYKIJIJ-OAHLLOKOSA-N 480.546 0.965 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1cccnc1 609038696 JUZQKJLHKGRERA-UHFFFAOYSA-N 468.560 0.200 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 729360966 YTAOXLIXPHHDTJ-WMZOPIPTSA-N 463.604 0.843 30 20 JCED CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 769639883 AULWQQPSPKNSHN-CQSZACIVSA-N 451.501 0.570 30 20 JCED C=CCn1c(S)nnc1-c1sc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1C 899896778 QKXRVAYPQOAUJI-UHFFFAOYSA-N 473.544 0.571 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)ccc1F 914659095 GPQZJCDKLPUFPC-ZFWWWQNUSA-N 476.548 0.871 30 20 JCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 915296368 HUYKKWUOSQJIGI-OAHLLOKOSA-N 484.600 0.095 30 20 JCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)nc1 918264088 OWMFWEOILPIXPR-UHFFFAOYSA-N 483.504 0.920 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncnn1CC(F)F 1286629680 NAOXGEKPQXLMDM-LBPRGKRZSA-N 480.929 0.857 30 20 JCED CC1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1291183753 CPIBXDUTFYHPPH-PKOBYXMFSA-N 464.640 0.797 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CCS(=O)(=O)N(C)C)CC2)c1C#N 1492727997 ORBFJHSLYZHLIH-UHFFFAOYSA-N 472.579 0.405 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1507784751 KDVJKSNYEKBQAI-CHWSQXEVSA-N 450.359 0.745 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1509783243 SZRCESOXIGFEGQ-KRWDZBQOSA-N 458.548 0.358 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCCC1 1510217849 LHMQTFQOEOYIQQ-AEFFLSMTSA-N 450.613 0.551 30 20 JCED Cn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)c2ccccc2c1=O 1517427028 MQJUSPITCZJJEQ-LBPRGKRZSA-N 458.429 0.302 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C1CC1)N(C)C 1611705777 YUVCJABZAVUNLA-LPHOPBHVSA-N 487.634 0.822 30 20 JCED CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1696204616 ZSJFAGXDIOUBCN-UHFFFAOYSA-N 467.574 0.957 30 20 JCED CN1C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCCS(C)(=O)=O)CCN2C1=O 1696877214 OYOOXHUDQAZMJV-KRWDZBQOSA-N 473.559 0.719 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1705754952 IVPLDWUEEHRHMC-MRXNPFEDSA-N 496.055 0.810 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1706650977 LDIFXOUEFRZIQD-HXUWFJFHSA-N 453.547 0.879 30 20 JCED CC(C)NS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1706659490 PBBZDAVNFAQNLB-QGZVFWFLSA-N 458.548 0.573 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1766568027 PNLBFEOVQANQKC-RUZDIDTESA-N 480.617 0.874 30 20 JCED CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)N(C)C)C2)CC1 1767140950 QKQDXZMXFCOSNW-OAQYLSRUSA-N 486.646 0.924 30 20 JCED CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1769364489 OWOBBRAQTQMIGS-UHFFFAOYSA-N 460.564 0.164 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1779104991 IOJRISDJWRDDLN-ICHGEDPPSA-N 462.547 0.746 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(F)c(C#N)c2)C1 1780755933 VAJFVRJWPFXKOB-PQNGQFLHSA-N 474.533 0.905 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1781263751 DKECDJGVVOLLTQ-KOSHJBKYSA-N 495.573 0.962 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1 1782015653 XDOKZUVHARSDGW-DYESRHJHSA-N 466.487 0.445 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1)c1ccc(O)cc1 1782664618 MJZLNBDXCFCIIU-NBGIEHNGSA-N 464.522 0.976 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729534 DXZSPOSNPBTETA-BTYRIHFPSA-N 471.558 0.742 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1783157853 VOHZZLKPZAUHBG-ZHRRBRCNSA-N 452.552 0.941 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)[C@H](O)C1 1783478434 JIJWGOLBMYECBK-FCMAGTKHSA-N 475.586 0.997 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)N1CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C1)C2 1783567887 GPBSUDVKHVIUFV-IPPNXFFKSA-N 461.515 0.692 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)c1cccnc1 1784263156 KPGIAIXGQXMAEJ-NTLWEQJWSA-N 486.525 0.715 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(cnn4C)c3OCC)C[C@@H]21 1784482081 FJULUIITZXARCZ-LPWQTFTOSA-N 469.542 0.999 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1785225946 TWMJWAVCKDJFKL-QVKFZJNVSA-N 452.504 0.711 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)CCOC1 1786705748 ZVCRITVSFQLCCD-DOWNOZBLSA-N 450.536 0.954 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603978 FDSBQZWZIJBXSX-OLUJBWPBSA-N 495.621 0.979 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccc(O)nn4)[C@H]3C2)c(C#N)c1 1790591802 YGCKGJPLUYMXHB-VDGAXYAQSA-N 481.509 0.664 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1792255819 YOWYTQXKXBDXHW-FJIDUMEYSA-N 479.578 0.154 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 1792426100 DPFDYGPFNYZJPA-REKURBBTSA-N 469.538 0.676 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794112078 HZQZZXXGVZWEPP-IBTNMTNLSA-N 461.519 0.383 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC[C@H](N)C(N)=O)c(C(F)(F)F)n1 1796080054 GBGUVYZKHMXIEP-XFMPKHEZSA-N 452.437 0.817 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[S@](=O)CC 1797611415 SCQSZIAHNBAMQB-UYXROKOJSA-N 469.604 0.651 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783752 GEPNFUFXKOYKED-UKBAYJJMSA-N 465.547 0.118 30 20 JCED NC(=O)c1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1798354626 JXZXJOHYISWCBY-JLVBRIDZSA-N 453.886 0.484 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1798550259 PNKHXTCNCARQPR-ABLQDVQDSA-N 458.519 0.762 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)c(O)cc1[N+](=O)[O-] 1798593475 OSLYDRGGAAANFF-VKSZNNHQSA-N 474.470 0.371 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693562 NTBQCUGDNUMXGC-NBMJBFSESA-N 473.530 0.725 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)CO1 1799145586 ZHLVAETXYMEOHW-JYYAWHABSA-N 457.474 0.480 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOCC2)C3)c(C#N)c1 1799237581 SWRPDIDEXKPHNN-IRJINJETSA-N 456.543 0.421 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](CCN(C)C)(Cc1ccccc1)C(=O)O 1800292522 AXRIMNBXMBMPBR-DPPZXVMFSA-N 499.608 0.880 30 20 JCED Cn1nc(Br)c2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)cc21 1800775820 IWLSWJYILZKPOM-IVWMJMPLSA-N 475.299 0.627 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)NCC(C)C)C2 1802127397 NWHBRAJNHHOYBF-MHORFTMASA-N 464.563 0.265 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1802127617 JVASCZRBRHUIDA-UIVXKWKOSA-N 489.529 0.067 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)ccc1F 1807048107 PGJOZGGXUHZZGY-NYDSKATKSA-N 466.517 0.934 30 20 JCED CN1N=C(C(=O)N2CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)CCC1=O 1807141489 BSCIVOXLGJKUOA-XLIONFOSSA-N 453.547 0.977 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC3)CC1 1818893666 HUTXODFMOANKAS-INIZCTEOSA-N 475.619 0.501 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1819451500 WSBDUMCRJDXVRC-SWZHRBGYSA-N 461.479 0.529 30 20 JCED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)CC1 1827303426 QXRXFDXITACAKS-IBGZPJMESA-N 494.552 0.887 30 20 JCED CCOC(=O)/C=C/C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332514 PEUGMPFIVGLCER-VMQHTIDMSA-N 497.504 0.646 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncccc3C)C2)C1 1829764910 YXHJEVVAQDUTGY-QZOBCFMQSA-N 456.543 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1829771895 ZVXMQDDDQMKECL-FUMRIQNTSA-N 453.499 0.263 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@]4(CN(C(=O)CCc5cccc(C#N)c5)CCO4)C3)CC2)CC1 1830461749 ZTUSJWXLHZXCBE-SANMLTNESA-N 495.624 0.727 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1830716053 SIKFVDHHLQPDBA-MBPBHBQCSA-N 464.563 0.504 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831221110 DNSVHLYCMMUMSK-SANMLTNESA-N 483.565 0.961 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nn(-c4ccccc4)c3O)C2)C1 1831387868 RVSPXFUICIJNKK-KBMIEXCESA-N 482.537 0.995 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1831392075 JAAYTNHIDJYUNZ-GAJHUEQPSA-N 465.547 0.348 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1831399223 RVJCPSWTLLRJLD-QRQCRPRQSA-N 474.539 0.234 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1831495542 CKWGLDCPGNTTLE-BXTJHSDWSA-N 461.581 0.240 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831670357 UCOKOVYTAJMKTK-QZTJIDSGSA-N 464.563 0.936 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1832009822 VTSKWGIWQOSXFX-GCJOCQGHSA-N 495.573 0.951 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccnc5C(N)=O)CCO4)C3)c2c1 1833315225 PEPFETBGBLGVHO-DEOSSOPVSA-N 489.492 0.312 30 20 JCED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(OC)cc3C#N)CC2)CC1)C(=O)O 1834741613 BGGKYBUUJSXUOZ-QFIPXVFZSA-N 485.585 0.744 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncn(-c5cccc(F)c5)n4)C3)C2)CC1 1835341052 NESGLGNNYANJEZ-JOCHJYFZSA-N 454.462 0.780 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 1835451252 NBWTZWGVHVJGBV-ARJAWSKDSA-N 461.563 0.259 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835708115 DAIOIVABOFZMQI-KRWDZBQOSA-N 463.627 0.547 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835974023 WZWGUAQGQCVMEY-QFIPXVFZSA-N 464.950 0.692 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)ccc1F 1836419158 VPMCDOCJMUDLLV-QHCPKHFHSA-N 470.457 0.816 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1836861210 RCHFIKFTVQZDKN-HXUWFJFHSA-N 460.619 0.803 30 20 JCED O=C1NCc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5(O)CCCCC5)C4)C3)ccc21 1837150552 RKBNCSXFZOMLRY-SANMLTNESA-N 481.549 0.699 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837431512 RXPKUNGEYSDIPC-QFIPXVFZSA-N 482.723 0.978 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837608839 KFNDKEULPYJYIG-BXKMTCNYSA-N 478.509 0.237 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838422462 BDSANQSTDLMMMF-JOCHJYFZSA-N 455.519 0.081 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c1 1838581780 PCUWYAHNIMNZLE-NRFANRHFSA-N 470.442 0.582 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2Cl)CCO3)CC1 1838598460 IWACCJVYOMNYDS-HSZRJFAPSA-N 475.977 0.529 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4ON=C(c5ccccc5)O4)C3)C2)c1 1838737503 WEAOXJOZPKDBOO-XZOQPEGZSA-N 465.466 0.691 30 20 JCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838737908 FJEJSJLXQIMMHH-DEOSSOPVSA-N 465.510 0.986 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1839174422 AUMCYLVSBPXSCW-JOCHJYFZSA-N 457.487 0.309 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)C)C(C)C)C2)C1 1839174523 HMBSSKNNWBXTFE-REWPJTCUSA-N 453.580 0.975 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1 1839185387 YHJXXNBYZAHWMS-FDDCHVKYSA-N 468.595 0.864 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363405 TWHHXWFLMCRYCJ-BVZFJXPGSA-N 492.536 0.431 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839363672 PDWWSGYDMJSGHH-JOCHJYFZSA-N 459.572 0.307 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c(Cl)c1 1839423441 BJRWKSZYBHNQSU-OAQYLSRUSA-N 473.873 0.797 30 20 JCED CS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2 1839443236 UZLGKOQPJUXLFO-IBGZPJMESA-N 489.472 0.692 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)(C1)C2 1840005512 GQXBHEYZURQWAX-GRAFNAGYSA-N 459.499 0.498 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(F)ccc3Br)C2)C1 1840041008 KRVSBQKMYDSDHR-HXUWFJFHSA-N 483.290 0.675 30 20 JCED COc1cc(/C=C/C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(OC)c1OC 1840044361 FPBDPPAXBLRHAE-MCCBOCGNSA-N 488.493 0.270 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)NC(=O)OC(C)(C)C 1840111681 FIXYQAYECIPDBU-KOSHJBKYSA-N 493.557 0.313 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1)c1ccc(O)cc1 1840221737 ICKHGMKEKFUWGN-IQGLISFBSA-N 496.520 0.861 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840422410 XKFLZTWOGJVYHR-IUKKYPGJSA-N 490.561 0.212 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CC5(O)CCC5)CCO4)C3)c2c1 1840595458 GUYVEOALDZHUST-HSZRJFAPSA-N 453.499 0.810 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840853274 GEDSFNWVTXRNAN-DMYAPDPUSA-N 468.551 0.277 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(C)=O)C1 1846006777 NVRXJUPCSHGDDN-RDJZCZTQSA-N 495.577 0.520 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1847082524 WPIFITARKHSPID-DOQJBMMISA-N 466.535 0.724 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncn2nc(N3CCOCC3)ccc12 1847261286 HFSZSBVGQNIWDV-SLXDBMQSSA-N 479.541 0.240 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c1 16559738 ZEDWKDLMBARVDB-AWEZNQCLSA-N 491.547 0.380 30 20 JCED COCCN(C(=O)CSc1nc(C)nc(C)c1C#N)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 25960674 XZXHOQVCAXJEEL-UHFFFAOYSA-N 461.548 0.825 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(C(F)(F)F)c2)c1=O 489125219 FDFNUQYFVWYGQR-UHFFFAOYSA-N 466.485 0.417 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)s2)c1=O 501770305 OBKQOBXEYZOESU-UHFFFAOYSA-N 461.565 0.595 30 20 JCED C=CCN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 504060766 PFDNLXDVFKJPKY-JTQLQIEISA-N 457.393 0.991 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccc(F)cc3)c2=O)cn1 523182537 QJNFBCFNVSTIGP-AWEZNQCLSA-N 455.515 0.909 30 20 JCED COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604168904 LXWXVJSOSURJRE-INIZCTEOSA-N 486.554 0.554 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608829028 XDINWCAEAYFRRO-UHFFFAOYSA-N 484.484 0.542 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1C1CC1 728557825 SDFOTHMCMBZBQL-UHFFFAOYSA-N 453.499 0.835 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 728573577 RAYZZGRVXFINJF-UHFFFAOYSA-N 461.588 0.167 30 20 JCED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 857837742 OIBYVNLKGALMOQ-HVPFBLEYSA-N 458.519 0.686 30 20 JCED CC(C)[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@]1(C)CCS(=O)(=O)C1 876675790 OWHGTNCXFLXRKG-FXAWDEMLSA-N 485.584 0.376 30 20 JCED N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916967493 VFOHTXRTUXGUGR-KRWDZBQOSA-N 484.490 0.539 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 918237703 IECWECNNYJZEFJ-MOHJPFBDSA-N 493.567 0.402 30 20 JCED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)COc1cccc(Br)c1C#N 1155690763 OODWHMRKYGFSLM-AWEZNQCLSA-N 454.277 0.606 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1 1300831180 SLBWXZMGSWEAEZ-ZDUSSCGKSA-N 471.385 0.914 30 20 JCED CC[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1314567860 CGKQEISEPQXWGJ-OTQAAAIFSA-N 458.610 0.510 30 20 JCED COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)cn1 1519188913 WZRGVYSDABKDGE-GOSISDBHSA-N 450.503 0.932 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1555558009 JIEFMCDOWOKKIL-QGZVFWFLSA-N 454.597 0.657 30 20 JCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1589394674 MJDXQSQRAIVKAZ-ZDUSSCGKSA-N 461.386 0.903 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1593887205 XWNOSLKGIBYORG-RLFYNMQTSA-N 461.972 0.748 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCS1(=O)=O 1613588864 VRWNBCQYRGOTOH-SFHVURJKSA-N 478.623 0.409 30 20 JCED C[S@](=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CC1 1620180402 VGLPWSJDVSTCAY-DFYVNMARSA-N 470.621 0.652 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1705689076 XIXQBPBNOINHDA-CQSZACIVSA-N 472.369 0.946 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1711019912 KKVLLPWZUGQRDU-SFHVURJKSA-N 486.602 0.709 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1712103303 YJELQADCPLMWTM-GOSISDBHSA-N 453.547 0.832 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CCCO 1741132986 NWPHUNPEYTUKJL-KZNAEPCWSA-N 469.612 0.054 30 20 JCED CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cn1 1764931645 VERGFYLZVIOMFL-RDJZCZTQSA-N 462.580 0.907 30 20 JCED CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1)S(C)(=O)=O 1765218143 UVCYWLFBWIEMKD-SFHVURJKSA-N 475.575 0.440 30 20 JCED CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1766973393 IGUQGCGSCKNFGA-UHFFFAOYSA-N 455.548 0.948 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCOCC2)c1 1768522376 IKZGUYMWSUQGBX-QGZVFWFLSA-N 476.559 0.466 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(C)cc(C#N)c2)CCO3)CC1 1778357403 XGZMOKUSBOENSZ-DEOSSOPVSA-N 453.543 0.474 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1)NC(=O)OC(C)(C)C 1778793274 UIMMSXTYVWTLLX-CEXJFXJFSA-N 498.577 0.740 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778898525 HWNQAAADYSJUAD-IBGZPJMESA-N 455.389 0.872 30 20 JCED O=C(/C=C/C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)NCc1ccco1 1779208931 TXFNOSQVFKEMBY-KXCFTHEVSA-N 474.514 0.811 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC(C)=O)OC(C)=O)C1 1779402956 SBNMCNIMGWCELS-RTXPOLOASA-N 468.547 0.568 30 20 JCED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779947338 MIUGITPPTKBWDK-JOCHJYFZSA-N 471.539 0.684 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCS(C)(=O)=O)C1 1782720154 PLTNWICTDLOGEG-YZZKKUAISA-N 499.630 0.852 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783676860 HOSLUNSHPIUNJE-XSLAGTTESA-N 479.578 0.154 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)[C@H]2C1 1783847799 KMBUJKAYCVUBGS-NWFSVNAMSA-N 487.597 0.719 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)ccc1Br 1784116092 LORCAIFPZFZHIJ-OAQYLSRUSA-N 487.310 0.689 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@@H]21 1784785904 JHUHTZPCRKSEDT-XSLAGTTESA-N 487.619 0.870 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)COc5ccccc5C#N)C4)C3)CC2)CC1 1785379515 JOHYVVXTEHCHBB-XMMPIXPASA-N 467.570 0.547 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1785575554 DILZNEYMQOOJMH-AOMKIAJQSA-N 462.503 0.527 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)[C@H]2C1 1788094119 GRYOBDWONKOHDK-FRMKIJSPSA-N 471.620 0.902 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1)c1ccccc1 1788651962 RLEASZJLAQDPEE-PICATGQPSA-N 469.582 0.814 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788659567 PGTYWVLWLQMDKZ-AGSJLGIBSA-N 498.577 0.381 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1789904459 QWSKXMLRWXOONX-OKYOBFRVSA-N 466.579 0.962 30 20 JCED C#CCCC(=O)Nc1ccc(C2(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCC2)cc1 1792263175 QSZSJXKSTBYKPH-UHFFFAOYSA-N 462.510 0.981 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792779495 COWCFAOLSDYSMX-PTDVTHDLSA-N 473.570 0.329 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1792793128 RCKSQIGECBDIAB-WQURWTOISA-N 496.630 0.932 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1793348942 RRIIOWZLANSNAG-XEMDLRDOSA-N 451.545 0.671 30 20 JCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cccnc2)cc1 1793956057 CAKGSMDKKCROEB-RUMRUAAYSA-N 461.522 0.905 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795360625 HUHWARXJGNRPTR-DFGXFYAUSA-N 473.592 0.480 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCNC2=N)ccc1Br 1795580070 BJXLMVQYQHNMEX-JLVBRIDZSA-N 475.347 0.364 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 1797246736 CMDDUEICXGUYNS-DODNOZFWSA-N 455.555 0.515 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1797706494 BJYTZENNWQYUHY-MNDZRTMASA-N 469.538 0.835 30 20 JCED COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797839993 NYBAEXQQODPPJV-OSLZNRIZSA-N 495.573 0.374 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799140649 HLPMHJGRMOTBSM-QSMSVPEVSA-N 466.579 0.158 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1799232583 PYSCCJIZBNLROY-RFBJODPTSA-N 490.601 0.799 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2)c1ccc(O)cc1 1801053547 IGDBIIYFJOWGEY-XWQURZDVSA-N 472.611 0.963 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)N(C(=O)OC(C)(C)C)C1 1801103428 NLSBYGZWXNDZIW-PJVZLEMVSA-N 497.614 0.719 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)(n2ccnc2)C1 1801432472 QBQRBFTUCHBAHG-NDBKNAECSA-N 485.541 0.945 30 20 JCED CC(C)(C)OC(=O)N1CCC(CNCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)CC1 1801988786 MDBJFXOGJMRGAW-REPLKXPHSA-N 476.574 0.949 30 20 JCED Cc1ccc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cc1 1802118162 DVJOPIPQVPUNES-CEQLMSFQSA-N 455.559 0.596 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N(C)C(C)=O)C2 1802128092 YGYVUAIJXATLGL-IQZDNPOKSA-N 464.563 0.359 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C 1802159851 PTKCNAMWCHLUDH-KYHPRHEASA-N 467.567 0.494 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)cc1 1807025255 AHVJMYWKPWXHDP-AZUAARDMSA-N 457.427 0.998 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807354729 KKIIQDXHVDYPTB-IDHHARJASA-N 451.487 0.723 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)Cn3cnnn3)[C@H]2c2cccnc2)c(C#N)c1 1808172066 DKEKOXXXGYWVSR-MBSDFSHPSA-N 460.498 0.897 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1808451110 ZEPIYOSREWWTLL-QRFRQXIXSA-N 462.503 0.661 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)[C@H]1c1cccnc1 1812881397 XBUHBGGXHYZTOT-QKYMMTCKSA-N 476.533 0.811 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)/C=C/C(=O)NCc2ccco2)[C@H]1c1cccnc1 1812881638 YCZPNUQLXMPWSK-ADMRXCGISA-N 450.451 0.641 30 20 JCED Cc1ccn2c(=O)c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)C#CC(=O)O)CC4)cnc2c1 1818516856 KFUPWPVWLKYZHY-GFCCVEGCSA-N 451.464 0.773 30 20 JCED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1819467909 HVWMEZNIXQOKCS-NGGQUBSISA-N 469.520 0.649 30 20 JCED CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1)C(=O)C(=O)O 1821715939 SEHSEXNSGFRUIP-MRXNPFEDSA-N 459.503 0.643 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/O[C@H]2CCCCO2)CC1 1826933025 KHVDLGNWQFWQPL-JKNZDCDFSA-N 451.568 0.728 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=N)N)C2)C1 1829342804 OJLGBUOYLSWEPO-QVKFZJNVSA-N 462.576 0.240 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)C1 1829670809 LHNSKBGJNNOPGX-JOCHJYFZSA-N 460.556 0.314 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1829764901 YQTVKFNJBCVVNL-IUIUGSMNSA-N 460.506 0.468 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)CCOC1 1830060190 JLGVTVCNFKYUOB-DHIUTWEWSA-N 480.562 0.676 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC(=O)O)CC2)C1 1830249710 MOJJXQUEIUYSIZ-QRVBRYPASA-N 477.558 0.922 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1)c1ccc(O)cc1 1831280508 DJBGWKMWGVBGRR-NTKDMRAZSA-N 457.527 0.482 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1831396190 ATMHVIVKZUCVJA-GAJHUEQPSA-N 475.498 0.641 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831427167 PWQLOJUCNZSBHW-CYFREDJKSA-N 474.558 0.579 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1831482071 CITDPOFTADKWGT-YZZKKUAISA-N 499.630 0.976 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1831999772 CECKDAHLFSGUHX-DDOIHHOZSA-N 467.563 0.683 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1832446958 NLFYBOKBAKNZLD-OAHLLOKOSA-N 458.430 0.717 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3c(=O)oc4ccccc43)CCO2)C1 1832756075 YYAGQZOVXAQQSX-MHECFPHRSA-N 471.510 0.479 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1)n1cnnn1 1833108132 HFYJZVLZVCXFTD-QGZVFWFLSA-N 450.547 0.920 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1833431557 CQKUEPKXGFFMCN-QFIPXVFZSA-N 460.535 0.227 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cnsn5)CCO4)C3)c2c1 1833534009 FRNJAKOUIZODJJ-HXUWFJFHSA-N 453.484 0.670 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1833563947 IKBFSWGLDWSVTM-JOCHJYFZSA-N 461.540 0.110 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c(O)n1 1833696578 JUFURJPUVBOUPL-HSZRJFAPSA-N 455.515 0.873 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)cc1 1834563989 POMYJBVDYKPURW-XMMPIXPASA-N 478.509 0.076 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1835099518 MCPVMFSCVICXTQ-XMMPIXPASA-N 489.594 0.166 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1835100209 GQMKBCDYDITQAA-DEOSSOPVSA-N 450.495 0.787 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1835109934 KGTVUOMPBYPNRC-QYDDKUKRSA-N 490.630 0.219 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CC1 1835400226 OFXZCROCBFLEOZ-RUZDIDTESA-N 489.016 0.785 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 1835645143 UXROBTRYWDFXBQ-NRFANRHFSA-N 457.531 0.808 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2)C1 1837397233 UDEPEFYUEAXANZ-XFAGBWLFSA-N 499.605 0.556 30 20 JCED CN(C)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440866 CGSANWVNDDIKDQ-JKJLQIMHSA-N 458.563 0.689 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837446320 HIFXHIQUNYFVTC-HPARJBSBSA-N 462.503 0.345 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533088 KAAPKLFFSUJOTF-CTCGMVJQSA-N 486.525 0.922 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Cn2cncn2)CCO3)c1 1837646103 NTJDIJSYUMETHU-UZUQRXQVSA-N 468.514 0.565 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838501542 KJULLHIIYVPBOP-UUOWRZLLSA-N 467.526 0.928 30 20 JCED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838582626 WNXWXRVRCJVUAT-APYJYERMSA-N 463.556 0.796 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1cccc(Br)c1)CCO2 1839054511 CNIWYTSXNHCDKP-IEBWSBKVSA-N 452.305 0.853 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)c(C#N)c1 1839132550 JNEDVLXEIYNSDX-RUZDIDTESA-N 495.536 0.694 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1839173974 YLKHUJNOGBRHAM-JOCHJYFZSA-N 457.487 0.309 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1839227406 PUEZESKZCRCBFE-ZHRRBRCNSA-N 474.518 0.202 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cccn4)cc3)CCO2)C1 1839336737 SUYFIEOKPWKFAS-CYFREDJKSA-N 452.511 0.981 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO3)c1 1839387138 ABNSERSYZVROBJ-NTKDMRAZSA-N 488.541 0.780 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487626 CTEQOLZPKVTYPH-AWUSRGSFSA-N 467.482 0.624 30 20 JCED C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2)C(=O)O 1839488737 CKRNTPZERCJFRZ-VRVLXJBKSA-N 453.455 0.535 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839624394 GGQRYJXJRUCZGF-JEHGDBSQSA-N 470.461 0.651 30 20 JCED CN(C)[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(Cl)cc1 1839732058 OZTCGPFZLMQIHF-IRLDBZIGSA-N 463.918 0.487 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCCC(=O)Nc3ccccc3)C2)C1 1840039799 HWZKJZXDFOSVEV-QHCPKHFHSA-N 457.483 0.340 30 20 JCED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc2c[nH]c3nccc-3c21 1840043399 VZFDBYDEVXJJTR-QHCPKHFHSA-N 465.466 0.164 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840158031 GEKGBJGCCZNJAO-KKSFZXQISA-N 487.619 0.523 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1840165718 HUJRNAHFERNQRS-ZWWNWMABSA-N 497.618 0.620 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840796291 DGSFNSAYJURALW-YJLYGGOZSA-N 496.605 0.827 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1840820328 KFFPDRUFEKLHAB-QHCPKHFHSA-N 452.467 0.808 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820771 JIBRRRZKXNQONZ-DEOSSOPVSA-N 473.526 0.983 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1840908840 IKLDAUKSSOZBFB-YTZAWJCFSA-N 492.573 0.050 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3C[C@H]3N1C(=O)OC(C)(C)C)CCO2 1840912915 NDUMCWJFQAKLRU-GUSIKLTESA-N 491.585 0.879 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1841610791 DUGZQTPLGYBJCW-HNNXBMFYSA-N 485.545 0.921 30 20 JCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCS(=O)(=O)C23CN(C(=O)OC(C)(C)C)C3)C1 1846141389 QZVQWDJWRMNDRV-HNNXBMFYSA-N 451.545 0.247 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]nnc2n1 1847940621 ZRAGZJRDBUQUBC-QEJZJMRPSA-N 472.506 0.097 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CN)Cc1cccc(C#N)c1 1848092230 RUZRMCVJHDVCFS-ANULTFPQSA-N 484.601 0.872 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2)c1=O 514491441 MTGUJRZBXXEPMR-UHFFFAOYSA-N 472.636 0.614 30 20 JCED O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 516052303 ABUXSNBVOXBMSA-UHFFFAOYSA-N 482.562 0.746 30 20 JCED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccc2O1 516440912 OQWIZBBRINCYDW-LJQANCHMSA-N 498.517 0.358 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C1CCN(C)CC1 517983811 YRAJCVPGINMWSQ-UHFFFAOYSA-N 484.578 0.229 30 20 JCED CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)cc1 518712674 SZWYGTNDGRQRPO-UHFFFAOYSA-N 495.605 0.497 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)c(F)c2)c1=O 523743716 GNSRLKLOOMLZHV-ZDUSSCGKSA-N 451.495 0.879 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2ccccc2)c1=O 589160596 JYZQDISPAJVXFF-UHFFFAOYSA-N 471.535 0.984 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(C(N)=O)cc1 608828449 UDRLLQZEEANYOL-ZDUSSCGKSA-N 468.560 0.714 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(N)=O 608911146 MTNUGWMOMHKUQW-UHFFFAOYSA-N 450.467 0.416 30 20 JCED N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)C2=O)cc1 609121592 FLQUTODTQLPACO-LJQANCHMSA-N 482.518 0.968 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1=O 726044048 ZTFLEMHULKDDDQ-MRXNPFEDSA-N 456.499 0.676 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnc(C)s3)c2=O)cn1 726962411 UXZLQZWKLKEDDY-UHFFFAOYSA-N 469.548 0.429 30 20 JCED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCS(C)(=O)=O)c2=O)cc1C 729671680 VBIYWGZIBDEJNV-UHFFFAOYSA-N 489.619 0.242 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O 730028901 LHTRPLFRFNIDCE-GAJHUEQPSA-N 454.483 0.561 30 20 JCED CN1CCN(CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 916705292 MWGYYQJBFRTUBH-CLCOLTQESA-N 464.592 0.192 30 20 JCED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 919397634 OVKCNSOMQHSBGJ-SNVBAGLBSA-N 464.281 0.836 30 20 JCED Cc1ccsc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1360923048 JLJWYEPHPLAUQO-HZPDHXFCSA-N 466.589 0.952 30 20 JCED CC[C@H](C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1496270263 PALRONFWNOLIED-RDJZCZTQSA-N 467.596 0.656 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C)C1CCN(S(C)(=O)=O)CC1 1503412234 IOZNJMGPVFBGRD-UHFFFAOYSA-N 455.548 0.854 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 1511701843 WOQGQYRYXRCWJH-LPHOPBHVSA-N 450.544 0.863 30 20 JCED CCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)o1 1546360118 IOGCBQRFNYIQNN-ZBFHGGJFSA-N 462.580 0.972 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1610305289 QXDYSYBDHAMSIM-INIZCTEOSA-N 458.610 0.638 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1695932785 XPHOLFLIILZHFW-LJQANCHMSA-N 466.590 0.796 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCC(O)CC1 1723935054 UZMHMDMRXVIOME-MRXNPFEDSA-N 453.613 0.865 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)NC 1727222912 OFLYWBMSUQCWRH-UHFFFAOYSA-N 453.551 0.926 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729224381 KJCFLGHISYHPPE-UHFFFAOYSA-N 467.559 0.873 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCC2=O)CC1 1729742493 NUVLCZXDDXDNLT-UHFFFAOYSA-N 457.560 0.957 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)C1 1771359935 RERZEXBJNCKSFX-IFXJQAMLSA-N 481.579 0.993 30 20 JCED CCc1nn(C)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1Br 1777731630 FOIISQAAUFWILX-JLTOFOAXSA-N 481.347 0.961 30 20 JCED O=C1CCc2ccc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)nc2N1 1779104092 FUNCCVMORRPSGX-XKUSAJHISA-N 471.514 0.939 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](O)N3CCOCC3)C2)c(C#N)c1 1779415190 GEUYRWRVJBFMTK-NQHRYMMQSA-N 486.569 0.274 30 20 JCED CN1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)C3)C2)C1 1781170217 XFPQBRCVXOEZMP-DEOSSOPVSA-N 475.590 0.919 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c(-c4ccsc4)ccnc13)CCO2 1783562078 BBGAGCMLNHCWPQ-JOCHJYFZSA-N 465.491 0.989 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1783835926 PZAYMTVZPPTSIH-MGPUTAFESA-N 472.564 0.058 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)n1 1788600900 IJRGFFVYQKTMDB-PFCOPWGTSA-N 472.590 0.738 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)N4CCOCC4)C[C@@H]32)cc(C(F)(F)F)c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c3ccccc3)[C@@H](C)O)C[C@@H]21 1791265404 IPCAVZHJKOMCOU-JJSQAQTOSA-N 455.555 0.949 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)C[C@@H]21 1791540021 HKEVJFHWLILPLR-BHNDVYRESA-N 451.593 0.391 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1793357327 NEVHMZRJGSIABW-ZXFNITATSA-N 466.498 0.365 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1793371692 FVCMONFYDWNHDX-LJGDNWOOSA-N 459.528 0.318 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)[C@H]1CCc2nc(O)nc(O)c2C1 1794109578 LZAFPZBYDDDBRO-AYMMHLMVSA-N 462.506 0.634 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(N2CCCNC(=O)C2)n1 1794840816 CTZLWLCVNKIPKO-REPLKXPHSA-N 481.601 0.942 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795521044 XXKKXSINDWMIMF-HGKCTWBKSA-N 459.556 0.352 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795602852 QTQFHIYTHMRGAI-FCGDIQPGSA-N 475.590 0.774 30 20 JCED CCn1c(-n2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)cc2C)cccc1=O 1795935869 SHHGODDMEYSCSL-FAQVEIGNSA-N 452.515 0.869 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795968590 KVEREXYUGZKXHA-BBIADKPPSA-N 498.584 0.752 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795968664 HEKSLALZISMUAU-UGNRZPKXSA-N 499.572 0.570 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)cn1 1796078585 KSACXZQYSXMXTI-BBIADKPPSA-N 498.561 0.780 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1)NC(=O)OC(C)(C)C 1797239622 RPFWIVYVVFBTLQ-VLVHOKLOSA-N 493.649 0.683 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Br)cnc1Cl 1798007228 WQXIJRICNNQSDE-KEODLESXSA-N 456.680 0.789 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798496774 HBELXXDXVBBCGW-LVXKUMNTSA-N 454.524 0.997 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cc(C(F)(F)F)ccc3n1)C2 1800777308 PJSGRVWVMHJTMT-KSPBDQMDSA-N 450.373 0.644 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)O 1801020574 YQOVWDZZZPUQAC-BASYENTBSA-N 471.576 0.863 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)[C@H]1c1cccnc1 1802475343 FNXGWNJPPNHYKM-HUBZQQBMSA-N 462.572 0.627 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@H]1c1cccnc1 1802498223 NSNFPCIWFJYFFW-HCCCMQBZSA-N 493.568 0.416 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1804373846 LBAIAAHFFBYOGC-FZKCQIBNSA-N 483.529 0.586 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)C(C)(C)NCCC#N)CC2)C1 1805956778 GEPXHUKEIJVQNN-KRWDZBQOSA-N 455.625 0.827 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1810388291 MFWJVLHTEAOGTJ-YZAJHNDGSA-N 452.471 0.351 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[nH]n1 1814439343 HODYYKJARZHKAG-YMHTTXFNSA-N 482.545 0.731 30 20 JCED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2 1819462775 AQJNFTPTZOJMCK-IAQYHMDHSA-N 452.537 0.401 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1828925057 MLVLHNBQLIVEFP-HSZRJFAPSA-N 466.498 0.618 30 20 JCED C=C1CC(C(=O)N2CC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCN3C(=O)OCc3ccccc3)C2)C1 1828990436 PCFANLMZVPWDOM-RLWLMLJZSA-N 497.596 0.998 30 20 JCED C[C@@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3(C#N)CC3)C2)C1 1829224845 DKZPPYCBTLTAPV-KOSHJBKYSA-N 467.526 0.877 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C[C@@H](O)CN4C(=O)OC(C)(C)C)C3)C2)C1 1829673066 FSJGHPLYLOVPOH-IMWIBFENSA-N 479.574 0.779 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)CCCO4)C2)C1 1829770474 SNBNULQQPKGXQZ-PAUWSZDUSA-N 483.565 0.869 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)CCO2 1829846345 RXHBZHGRIGGTPF-BJKOFHAPSA-N 490.557 0.622 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1831207931 AYRZGQYNLRBBNE-RUZDIDTESA-N 465.506 0.543 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(NC(=O)OC(C)(C)C)(C3)C4)C2)C1 1831401372 AYAYDXQVPPHSKL-PRRZOPQCSA-N 491.585 0.929 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831470452 UBXSXMGKVCYRCK-HOYKHHGWSA-N 496.605 0.827 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NC(C)=O)CCO3)c1 1831475163 GVZWNOZWLJDLJR-HSZRJFAPSA-N 458.515 0.552 30 20 JCED C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(F)(F)F 1832161574 WYGWOMZABCABPD-BSHIWLPJSA-N 450.458 0.228 30 20 JCED C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(F)(F)F 1832161584 WYGWOMZABCABPD-ZUPBKEDZSA-N 450.458 0.228 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(OC)nc1)CCO2 1832575092 IQLZTLJGMFDIEZ-NKJPNPRLSA-N 472.542 0.338 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834766868 BKWARYXISYVMRA-HSZRJFAPSA-N 458.515 0.462 30 20 JCED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)n5[nH]nnc5n4)CC3)CC2)cc1 1834973400 XADJLUXVFHSZCG-UHFFFAOYSA-N 489.540 0.378 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCN(C)CC4)CCO3)C2)c1 1835402987 XJSDRCNPUJIHBM-RUZDIDTESA-N 485.585 0.274 30 20 JCED Cn1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1Cl 1835677193 ARXVBNHFOLXFER-HXUWFJFHSA-N 452.943 0.425 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1835682758 VBOLCWYCRRZVMD-QHCPKHFHSA-N 472.521 0.825 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1 1835753649 DAMVKYSLNVNASG-UHFFFAOYSA-N 456.591 0.938 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1835773946 UVNHRAADTMWWLX-QGZVFWFLSA-N 459.547 0.323 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836114732 YNOQMPWYJJHUKG-OXQOHEQNSA-N 451.549 0.826 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c1 1836122857 JAQPFPGOYPPCSI-HXUWFJFHSA-N 482.541 0.350 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1837532665 FAAXUWPAPYEJDV-CROXIQAJSA-N 461.519 0.395 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4sccn24)CCO3)cc1 1838415161 YKRFTSXHBGNCMQ-XMMPIXPASA-N 493.545 0.940 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc3cnccc13)CCO2 1838459995 CDRFUHSCPJERLK-YJMIJIGASA-N 465.510 0.558 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838503065 ALTRAJXPFPSKDV-FQEVSTJZSA-N 463.441 0.371 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838567512 AKPJQMWITTWLQM-XXBNENTESA-N 480.583 0.860 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(-c4ccccc4)n3)CCO2)C1 1838743020 XTWZJNJUCXIDET-CYFREDJKSA-N 452.511 0.981 30 20 JCED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1OC 1838840975 PQVMHEAPLQZQHN-VWLOTQADSA-N 487.553 0.867 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c(C#N)c1 1839132789 PQOSNSREMPIKEQ-JOCHJYFZSA-N 484.469 0.511 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1839209609 ZMHWGRMEGAAPRZ-JTSKRJEESA-N 487.619 0.638 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)cc1 1839362149 ZZAYMSCJOTWKLC-XMMPIXPASA-N 450.495 0.685 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C)cc(C#N)c2)CCO3)CC1 1839452485 DQDUENIPSUEKOD-RUZDIDTESA-N 483.569 0.101 30 20 JCED Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n1 1839487970 OLRLEYAMSDERKV-JOCHJYFZSA-N 465.470 0.439 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)nc2nccn12 1839548345 UHDUJKIQRCBNER-QHCPKHFHSA-N 469.546 0.390 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2)c1cccs1 1839669313 VIQALPQKKWVXMI-PHUOZXCHSA-N 488.522 0.518 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1839760851 XTYQVJFAKTZGLI-OAQYLSRUSA-N 450.536 0.068 30 20 JCED CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041841 KHIXNGOAUURPIN-AOMKIAJQSA-N 499.586 0.177 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1840072053 SGLUGIJQPUGBNM-JJEOQYAHSA-N 467.563 0.779 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840170048 YGDPMSQLPDDLGW-YDIMBITNSA-N 479.574 0.617 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1840293767 UPJJSQANQRQWNA-QFIPXVFZSA-N 469.604 0.308 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)C1 1840816471 VBICALBKOBJNIP-ZEQRLZLVSA-N 492.573 0.509 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)nn1C 1840818984 IHZVFGHBMAVZEN-QHCPKHFHSA-N 453.499 0.749 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1840906770 JYLWXZDKWVPQIL-NTKDMRAZSA-N 494.589 0.228 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 18760282 FSSOIVFCHCDFOY-HSZRJFAPSA-N 498.517 0.981 30 20 JCED Cc1nc(C(=O)NCCS(=O)(=O)N2CCN(C(=O)c3ccc(C#N)c(C)n3)CC2)ccc1C#N 108854948 WQIRTNFEJGLNER-UHFFFAOYSA-N 481.538 0.354 30 20 JCED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 495217877 MACVIIGQMYVCBG-UHFFFAOYSA-N 482.522 0.220 30 20 JCED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc21 495319657 RJQFEGHLKXZGEC-UHFFFAOYSA-N 482.522 0.220 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1 508279471 NQWKKPCRZIGIMD-UHFFFAOYSA-N 452.580 0.759 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1 514328943 FELLBRUYGXYVJM-CALCHBBNSA-N 486.616 0.263 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)ccc1OC(F)F 608911430 DFQPDAIKXZLXKI-UHFFFAOYSA-N 466.466 0.033 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCc1cccnc1 727814553 VLISBYOFPQSQTE-UHFFFAOYSA-N 455.565 0.578 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(CS(N)(=O)=O)CC1 729270552 AXUJUPNRGLJLGF-MRXNPFEDSA-N 456.590 0.811 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 729323665 SVJINZMSILHDSS-BJUXRVGASA-N 477.587 0.619 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)c1 749017864 XOHWRLQIZGDKNT-UHFFFAOYSA-N 460.487 0.868 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)cc1 858005174 COLSIWXIXUQJOK-HNNXBMFYSA-N 451.501 0.444 30 20 JCED CCNC(=O)COc1ccc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1OC 916333412 UBILEWBUQOTFRI-UHFFFAOYSA-N 490.586 0.987 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCC[C@H](NC(C)=O)C1 918930727 XXDQYJUBBVZISL-WMZOPIPTSA-N 478.571 0.954 30 20 JCED CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1728511288 BNQYAQFLYDLNTL-PMACEKPBSA-N 494.666 0.518 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCN(C)C)CC1 1741134116 XLSCZFGPLCKOFN-UYAOXDASSA-N 496.682 0.480 30 20 JCED CC(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741294942 OYQUPICXRLENNN-QGZVFWFLSA-N 451.535 0.595 30 20 JCED CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1747416276 TXJCRRAESZGZCL-KRWDZBQOSA-N 457.560 0.862 30 20 JCED CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1748268176 QLRFUOIQFADDFS-MRXNPFEDSA-N 474.591 0.218 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1766727808 XJIKGYKPHDCJQS-GOSISDBHSA-N 456.532 0.799 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1767838294 JNEWYNYAOSEMER-SFHVURJKSA-N 468.562 0.911 30 20 JCED CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1768940190 UUOKASWQHNAMHR-NRFANRHFSA-N 460.560 0.135 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(N5CCOCC5)cn4)CCO3)C2)c1 1780332277 RLERSSWYXNRMGB-QHCPKHFHSA-N 450.499 0.875 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1781148822 RXYAZRYTVBLKPV-GAJHUEQPSA-N 479.578 0.882 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1781169409 OPDJATIICXTXRU-MZNJEOGPSA-N 487.557 0.910 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3=NOC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2)C1 1783453229 VXWYWUXHQUUVFD-HSZRJFAPSA-N 460.531 0.996 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784118571 JYOMCVHKNDXVFG-BXKMTCNYSA-N 490.557 0.601 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1784357618 YIYDRHYSCXLMKI-MBSDFSHPSA-N 470.530 0.882 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1784518875 FBIQFBLGENLNOS-UJNZZBMASA-N 473.555 0.709 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)Cc4ccnn43)[C@H]2C1 1785331037 FVPJSEODEMHXFR-WNHJNPCNSA-N 457.531 0.788 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1785575526 CYKFULCDRVXJQK-KSFYIVLOSA-N 481.619 0.217 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1785576888 QITYRUAVRLQMKR-HOIFWPIMSA-N 460.535 0.586 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]3C2)c1 1786792963 MMPPBCSMPBIELM-SZMVWBNQSA-N 450.432 0.185 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCN(C(C)=O)CC4)C[C@@H]32)c1 1789258625 LIMBISBERZRECZ-VJBMBRPKSA-N 483.569 0.324 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=C\C(=O)NC5CC5)C[C@@H]43)c2c1 1790327468 JDFTUNMSNLMHPZ-OEFPIHMXSA-N 462.510 0.863 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cnc2c(c1)CCNCC2 1790619005 XKJZCOHZPGXUTO-QJUBTLGVSA-N 485.585 0.892 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21)NC(=O)OC(C)(C)C 1792110049 GOOCQSMZPRQMSJ-YVSFHVDLSA-N 466.583 0.309 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1792120256 HSXTZTIITPQUEC-AKSSPNHOSA-N 464.563 0.739 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(Cc3ccccc3)c1)C2 1792490370 YHZHORLFBBKGRA-JEYNEBQYSA-N 463.538 0.993 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N 1795506621 UNDOYZUDCLKNKG-DFGXFYAUSA-N 481.619 0.899 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)c1ccccn1 1795620058 CDRIPUJFDWGHPF-DLRXZHIHSA-N 471.558 0.588 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2ccco2)c(C#N)c1 1795847083 BAKFBDORFUDVMY-FEJSZKPUSA-N 466.494 0.722 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1ccc2nc(CO)[nH]c2c1 1796870429 MOKURBDDJCQBIK-BPAHVTBESA-N 451.483 0.971 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1797710352 TVVZIMQJZLLSSY-OYNZLANYSA-N 497.589 0.606 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1797814844 ANZPWYMJAZLJIU-NWLQOIJNSA-N 475.527 0.488 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCNC(=O)OC(C)(C)C 1799260424 MSYVIONLPXHOCO-VXIBKDFQSA-N 489.635 0.842 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802082188 VQQRBKFAYSGLFC-CWQOZTLDSA-N 491.541 0.759 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N(C)CC)C2 1802128132 OSBRNMRRXSCGBB-ZSXDVEMLSA-N 450.580 0.833 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC3(CCN(C(=O)C#CC(=O)O)CC3)C2)[C@@H](O)C1 1804796893 CZNWQICVFVQPCT-MSOLQXFVSA-N 477.558 0.924 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1805254540 CAWQEMPUVVVOPW-UTKZUKDTSA-N 455.511 0.485 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CNC(N)=O)[C@@H]2c2cccnc2)c(C#N)c1 1808176375 GTFKVXWVVDBLEV-VGOFRKELSA-N 450.499 0.879 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@@H]1c1cccnc1 1810339353 PGOXUSFBGRWPCH-HSILUTMISA-N 486.525 0.441 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNC(=O)c2cc(C)on2)[C@H]1c1cccnc1 1810375250 WSGQBMOFQHYFDI-PLMTUMEDSA-N 453.499 0.852 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812340160 WQCNGWSBEDSROJ-YRYWAHFMSA-N 450.499 0.203 30 20 JCED CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1)C(=O)O 1819899782 ZFQOUHLLOOPQDZ-RTYPBLCWSA-N 453.521 0.647 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)CC1 1823744673 ZWRJCUSBANCNQM-LIXSYLKWSA-N 489.598 0.930 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)C1 1828468444 XMKHXBZSCQSLLY-GXTWGEPZSA-N 478.527 0.779 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)CC)CCN2C(=O)OCc1ccccc1 1828572246 SVIUTGMPJSGPJX-UUOWRZLLSA-N 454.527 0.986 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncc[nH]1)CCN2C(=O)OCc1ccccc1 1828656033 JGFCINHHGKCKAO-QHCPKHFHSA-N 465.466 0.563 30 20 JCED CC(=O)NCCC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828808087 JCNMEPAQNLLHJC-HSZRJFAPSA-N 455.515 0.878 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828969951 YLFXAASXYWTNDO-AUSIDOKSSA-N 490.630 0.876 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCN2C(=O)OCc2ccccc2)C1 1829232457 QGNDIQFWWKRFTH-CJFMBICVSA-N 494.552 0.769 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830179805 XIIVJUUSUHEMBP-VGOFRKELSA-N 466.556 0.751 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1831397923 ZYGJOZMSMYNSII-NSYGIPOTSA-N 479.537 0.679 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)ccc3-n3ccnn3)C2)C1 1831398699 JCIYGKHZHGDTAM-YADARESESA-N 467.526 0.684 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)C[C@H]3C=C)C2)C1 1831402620 MOZAAZQHRRVCKQ-PIYXRGFCSA-N 491.585 0.951 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1831410561 BVVGOWNXEUPGHV-RUZDIDTESA-N 490.553 0.889 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)NC(=O)OC(C)(C)C 1831579112 RJIYEDDPLMPSJA-HKARXFIJSA-N 496.561 0.411 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832250552 BUPVIKTUZIQION-BXWCNLNUSA-N 499.414 0.327 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)CCO2 1832427781 RYYQYDMSPBVELL-UZQCKINESA-N 490.488 0.591 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1833271626 AHVOQRIMVUZXBT-SFHVURJKSA-N 465.595 0.993 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1833334175 CYSHOMWWUAPEDT-NHMXVPMISA-N 472.546 0.582 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccnc3CS(C)(=O)=O)CC2)CC1 1833463200 BQOOFIKYOCWLEA-GOSISDBHSA-N 490.626 0.850 30 20 JCED Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c1F 1833673879 CBLFHYNODCSPCM-JOCHJYFZSA-N 467.461 0.989 30 20 JCED CN1Cc2ccccc2C[C@H]1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833709724 DZAAPHTYWGUIJS-QFIPXVFZSA-N 452.555 0.703 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834766123 YQOKXYQGHSULQT-AOMKIAJQSA-N 482.534 0.203 30 20 JCED O=C(NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1cccnc1 1835095803 FQERMFJWSPYGNS-RUZDIDTESA-N 462.506 0.320 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)no1 1835099993 ZOQTXRWPFXJDNE-XMMPIXPASA-N 466.494 0.820 30 20 JCED CCOC(=O)N(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)Cc1ccco1 1835348076 OKAROJGPJFGISY-HSZRJFAPSA-N 474.514 0.998 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835359098 XGXARRLULKVVCI-NRAIQUKZSA-N 492.573 0.771 30 20 JCED Cn1ncc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cccc21 1835676832 CGZUCGMORRKKJR-DEOSSOPVSA-N 468.558 0.925 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1)c1ccccc1 1835743832 PVOJESDLPWHUPD-STWLZBDKSA-N 470.570 0.233 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)C(=O)O 1835751186 CFNBBEUKHRFSJQ-WMZHIEFXSA-N 458.515 0.010 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CCC(C(=O)OC)(CC1)CC3)CCO2 1836705949 FEQPBTRRBHBFJY-NEIOHBCSSA-N 476.570 0.995 30 20 JCED O=C1CN(CC(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)C(=O)N1 1837077071 ZJUAEKVMFLXVMT-OEAKJJBVSA-N 462.551 0.009 30 20 JCED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(C)C 1837220798 DZXJCLLJUQLQJU-AJTYFSBPSA-N 469.535 0.560 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1837393728 ZZYHDDCIDSRPII-XXBNENTESA-N 457.531 0.461 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837443476 BWBMKZKHFIVFEI-YQNSVDCASA-N 455.519 0.271 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488912 VACUXEQNLNUGCI-HYBUGGRVSA-N 458.559 0.674 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837564572 YBOCKEKEYWCOPH-AKYANARJSA-N 462.503 0.684 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838509654 SYEDBGNKRBRMDO-VPUUYJAHSA-N 490.542 0.685 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CC(c5ccccc5)=NN4)C3)C2)c1 1838740326 KFHCGMIZDTUMLZ-ZJSXRUAMSA-N 462.510 0.723 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951319 KHVIPVKGUREXTN-REWPJTCUSA-N 473.482 0.123 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1839103699 VHJPJSOXEXDBSS-NTKDMRAZSA-N 455.559 0.264 30 20 JCED CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131820 APLUYISXWAKCOV-YJGRUCBDSA-N 458.559 0.939 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cn(C)cn4)C3)C2)c(C#N)c1 1839131919 HZZQIRJCIKTNNF-HSZRJFAPSA-N 453.499 0.613 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Cn4cncn4)C3)C2)c(C#N)c1 1839132957 UXUCCHLKOMWTES-HOYKHHGWSA-N 482.541 0.494 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1839173989 ZGRNEPPOOLIGPE-QHCPKHFHSA-N 474.514 0.619 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1839175943 MNFOQOFNWSBXPN-QHCPKHFHSA-N 462.547 0.856 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(C#N)cc5)C4)C3)cc2C1 1839621966 DAZIOTSDYMVHML-VWLOTQADSA-N 478.553 0.974 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=S)NCC)CCO3)C2)c(O)n1 1839653503 WXLHGFMIJQJLKT-QHCPKHFHSA-N 491.614 0.460 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccc(Cl)cc3)CCOCC1)CCO2 1839805785 YXHXTSCPEGTHQR-QHCPKHFHSA-N 490.940 0.933 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)[C@@H]2C1 1840010205 QFZSMLDTXDVDDY-ZQYRFBGISA-N 462.547 0.859 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840010209 QNRJTGWKTHDOLY-YSVRDODPSA-N 469.604 0.874 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1)c1ccc(F)cc1 1840162679 FCTMGFHHIBDXSZ-IQVOZAENSA-N 453.536 0.778 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1840164290 FCKJIIWKFWLCCE-NZYYMUPHSA-N 469.604 0.874 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2 1840712239 AZRWMJRGQLSMKY-JTSKRJEESA-N 463.556 0.818 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1840714770 GQDATJIZRFAEDD-QMHKHESXSA-N 467.530 0.717 30 20 JCED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1)NC(=O)OC(C)(C)C 1841892897 FLNSVYLSNKNHPB-HNNXBMFYSA-N 463.535 0.601 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2c(I)cnn2C)C1 1843602646 FJZNGJSRRLZKNI-LBPRGKRZSA-N 456.284 0.880 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022304 ODLCCRBMJWZZSY-UHFFFAOYSA-N 456.568 0.794 30 20 JCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c(Cl)c1 1845487453 WXNPCDMCBONDIA-UHFFFAOYSA-N 450.948 0.759 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1847071498 IAVBGRYMSWHBLA-CVEARBPZSA-N 480.562 0.950 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)c1 507490278 GXQBLLQJVBGORM-KRWDZBQOSA-N 452.577 0.450 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(Cl)c3Cl)c(=O)n2CC(N)=O)CC1 608912078 NEYDDTQSHAVANS-UHFFFAOYSA-N 494.404 0.369 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 613080245 NLGDSQIGXJGRRC-UHFFFAOYSA-N 472.567 0.675 30 20 JCED C[C@@]1(c2ccc(CNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)NC(=O)NC1=O 726167802 LIGXMOKRJDLMLN-NRFANRHFSA-N 455.496 0.486 30 20 JCED C[C@H](c1cccs1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 726583979 LARCIEKYDGQCMB-MRXNPFEDSA-N 498.634 0.266 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 728536244 PUAKXYRPRRKBCU-UHFFFAOYSA-N 462.616 0.791 30 20 JCED CC(=NN=c1nc2[nH][nH]cc-2c(O)n1)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1 731155128 UIXVIYANHLNMIQ-OAHLLOKOSA-N 459.488 0.896 30 20 JCED N#CCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 731233932 UAKCDDCEIQRNCR-UHFFFAOYSA-N 456.908 0.136 30 20 JCED Cn1c([C@H]2CCS(=O)(=O)C2)nn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=S 732526638 OPHDYZYCEHAQLZ-INIZCTEOSA-N 496.640 0.689 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c1=O 748043482 WIQNPUATFGDBSI-AEFFLSMTSA-N 486.594 0.224 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 918285155 AWFZPCSAPZPFSD-USCXLKSCSA-N 484.600 0.864 30 20 JCED C[C@H](NC(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCCC1 918819307 PDKPRMFHPURZDN-HNNXBMFYSA-N 464.544 0.566 30 20 JCED COc1cc(F)cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1315338141 PTEFXJNVFYYOSM-MSOLQXFVSA-N 480.522 0.536 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 1450121802 WAEPTZUVJJCGNQ-HOCLYGCPSA-N 456.590 0.632 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1nnc2n1CCC2 1541911499 RIXFMZGPVFBEHH-AWEZNQCLSA-N 455.548 0.982 30 20 JCED C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1596858464 VZVFNQZKPYDMAF-MRXNPFEDSA-N 450.547 0.694 30 20 JCED N#Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c(F)c1 1621990303 ITAMXTHYFGMWMS-UHFFFAOYSA-N 453.473 0.820 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)c1C#N 1625300386 SEQAKHAOGPVQFY-QGZVFWFLSA-N 457.922 0.576 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778053535 NUTNAHLXMJZQMS-WNSKOXEYSA-N 464.482 0.053 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)N1CCN(C)CC1 1781096326 RQRBWNAUPSEOIC-BXKMTCNYSA-N 465.558 0.514 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781255766 HRVWEMTUJBCFAK-LGFFLQIISA-N 450.536 0.420 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)CC2=O)c1 1782009672 UDSOHDQOBUWCPI-FLPMJASOSA-N 483.521 0.650 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CCO2)C1 1783901079 ULXBHDNOOSXITJ-HRAATJIYSA-N 483.612 0.469 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C[C@@H]21 1784502262 KJMGTHSRRGZJDU-WKRCXCSHSA-N 456.543 0.911 30 20 JCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4C(=O)c5ccccc5C4=O)[C@H]3C2)CC1 1785061960 QXFXJHSLSVWQGH-SNRMKQJTSA-N 450.495 0.956 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1)c1ccccc1 1785153459 XKJVZGAYGYZRMF-SXYSDOLCSA-N 466.538 0.761 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1785574473 LBKXLLNIMVENMW-SPLOXXLWSA-N 476.490 0.678 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3OCCO4)[C@H]2C1 1787940432 XHLWQUGWSGBCAW-ULPAQXSLSA-N 455.511 0.910 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)C1 1788094067 FGCVMKHVMNZKTH-QTMHVTGLSA-N 464.563 0.888 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1 1789258357 HCCMSKMNEKGKIY-QHERXFFYSA-N 457.531 0.868 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)c1 1789342931 RFKCUNDDVMUOJS-FNHZYXHNSA-N 457.512 0.592 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(Br)cn3)C[C@@H]21 1791074391 YIAFDZCXRVBUGR-RCBQFDQVSA-N 450.289 0.454 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1792222926 DEWPLXFPUACUSH-YXMSTPNBSA-N 473.592 0.741 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C[C@@H]21 1792258401 CJVQGFAHXNQDKH-VMXHOPILSA-N 474.562 0.735 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C)NC(=O)OC(C)(C)C 1792632511 NSULUODZDLBMHM-AXVVYFOYSA-N 481.594 0.707 30 20 JCED Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(F)(F)C(F)(F)C(=O)O)c1C(F)(F)F 1793729744 YOXGDRQPMAXFNG-AYMMMOKOSA-N 490.332 0.997 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1 1793774408 FELRSNPSCVNKPB-VTEUUUEMSA-N 458.902 0.959 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1796299910 HRXGSRITQGKZGU-NIVUTHITSA-N 464.519 0.174 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)n1 1797909745 IFJVAGURYFARCW-HATOLVCRSA-N 470.570 0.575 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(C#N)c2)C1 1798863493 RQPKQFXAWDUXSN-VIYGXFRKSA-N 484.553 0.989 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C3)C2 1800326726 SZSDSNUYTJDNNV-OAPDFWRWSA-N 497.552 0.924 30 20 JCED COC(=O)c1ccc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)ccc2c1 1800779417 AXWFAFJIKHSZPA-HATOLVCRSA-N 450.447 0.918 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)C/N=C/c4ccco4)sc3C2)CC1 1819951746 DMVXANJEBVPVKX-PLVXZXGYSA-N 472.571 0.931 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1823038249 MWFYXFSQDWOTLJ-NEPJUHHUSA-N 466.516 0.419 30 20 JCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1823079463 UHGSJBKZYRRWDV-ZIAGYGMSSA-N 471.605 0.586 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3c(c1)NC(=O)CS3)CC2 1825670516 DWAVROHBRAPJFL-SNVBAGLBSA-N 457.493 0.896 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCN2C(=O)OCc1ccccc1 1828572242 SVIUTGMPJSGPJX-KOSHJBKYSA-N 454.527 0.986 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829134087 XXXYHOHSIFIWGM-DHLKQENFSA-N 486.569 0.665 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1829561420 GVACAXYJJSYALB-DZHDYZGWSA-N 465.938 0.982 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C1(O)CCC1 1829745607 IGLHTANKPKKOSU-MBSDFSHPSA-N 457.527 0.945 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1829765966 CECWMCSNMGUHMF-KSEXMQBYSA-N 453.499 0.263 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)CCO2 1830838729 UYOJLNQGYNTTNU-RUZDIDTESA-N 467.522 0.471 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831209035 RSKWQVHDYPHLCN-CYFREDJKSA-N 477.558 0.492 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1831386893 KOSRPMPUNSIZOC-PMAPCBKXSA-N 465.547 0.491 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1831405731 IBIHMVCSQDIMNT-QHCPKHFHSA-N 460.531 0.251 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1832052735 WKQMFWJDRTVHRT-JPYJTQIMSA-N 473.530 0.966 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833172445 NBYJNFHKTCHIHC-MHECFPHRSA-N 487.557 0.392 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833620768 IATZESSRYYJVEM-ZDXRRBIGSA-N 481.557 0.809 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834753851 RVERNTRYMOATMI-GPRHCPOYSA-N 486.591 0.018 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835482710 NLQIOACYCKDGTO-IBGZPJMESA-N 450.628 0.606 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1835644463 OTIKLCDSFYMOKH-MJGOQNOKSA-N 454.568 0.196 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835677164 KDEGQEWIJXZILL-HSZRJFAPSA-N 473.530 0.220 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837397618 YFVNIXRKIBDGFH-OTPAQWSUSA-N 457.571 0.730 30 20 JCED CCOC(CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)OCC 1837447688 ROOYQOIESRHPGK-WWOVWOHCSA-N 454.568 0.704 30 20 JCED N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccccn1 1837489869 WYQHMYMUHXHILZ-ZJSXRUAMSA-N 456.543 0.236 30 20 JCED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c2c1CCC2 1837528757 OOPHGHCRNJONNX-FYGKWSDDSA-N 475.546 0.508 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1837530256 KEAUJOBYVBAQCB-KDYRRFBVSA-N 461.515 0.920 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838808481 AAALMVNLWDAINR-GAJHUEQPSA-N 492.529 0.154 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)c(C#N)c1 1839132674 MAGNLHJUCMEDIH-DEOSSOPVSA-N 491.508 0.317 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1839173408 OAJLFFZSZDJTNB-HOYKHHGWSA-N 495.573 0.962 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839623809 CKJXSJUEFFAZJL-QFIPXVFZSA-N 473.509 0.220 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)[C@H](C3CCOCC3)C(=O)N4)C2)C1 1839808203 NLKDYDZTELPWQH-WIOPSUGQSA-N 467.522 0.852 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]4OCC[C@@H]4N(C(=O)OC(C)(C)C)C3)C2)C1 1839810570 DIVMEKSEAKRNTR-LYXWCMDISA-N 477.558 0.491 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(F)CCCN(C(=O)OC(C)(C)C)C3)C2)C1 1839810599 IDBUCCKMNSTJOQ-VXKWHMMOSA-N 453.511 0.815 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1)C(F)(F)F 1839891933 HTGSGYYSKSFEIP-SFHVURJKSA-N 477.461 0.674 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](C)ON=C(C)C)C4)C3)(C1)C2 1840006265 WPPDVUNZVPMSMH-RQTSHOTFSA-N 451.520 0.587 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C[C@@H]2OCC[C@@H]21 1840035916 KIFPNFNUHAECBS-XMODTWTHSA-N 492.573 0.771 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3noc4ccc(Br)cc34)C2)C1 1840044447 IRLBTJBTJQKLPJ-HXUWFJFHSA-N 492.282 0.748 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1840164293 FCKJIIWKFWLCCE-YSVRDODPSA-N 469.604 0.874 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840292893 RMIVSNYFZQPMQI-QHCPKHFHSA-N 477.583 0.890 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1cncn1 1840421848 GLUHEMSUZCASSU-HTAPYJJXSA-N 454.487 0.246 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1cccn1 1840445407 UNWCRKRRDUANPT-JPYJTQIMSA-N 453.499 0.851 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)O)C2)C1)NC(=O)OC(C)(C)C 1840795562 PBYQJNNEQOWVBN-HOIFWPIMSA-N 455.552 0.683 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847449591 AQVJGTOPDWSUNM-SQNIBIBYSA-N 458.515 0.507 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc(C)c(O)nc1=O 1847942470 WEWLMGFIUCPYJZ-IKGGRYGDSA-N 475.546 0.929 30 20 JCED C=CCn1c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nnc1-c1cccnc1 10196371 RXRKJHAKUMXQKI-KRWDZBQOSA-N 462.601 0.950 30 20 JCED Cn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2ccccc2S(=O)(=O)N2CCOCC2)c1=O 500535936 JDLUOLUPYJCWDI-UHFFFAOYSA-N 489.619 0.976 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCC(=O)N3CCOCC3)nnc12 514530436 IUKQKDRQPLGTOD-UHFFFAOYSA-N 456.528 0.687 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 523254833 SLHTWELBTREUFC-UHFFFAOYSA-N 466.494 0.403 30 20 JCED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c2ccccc2O1 604219173 WSSXLVJZBIORJI-GOSISDBHSA-N 464.482 0.612 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cccc3c(O)nnc(O)c23)c1 620411701 ISBPGDPPMIKCFZ-UHFFFAOYSA-N 457.468 0.874 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCS(C)(=O)=O 729671604 PXHOBCCFJITUJJ-UHFFFAOYSA-N 463.581 0.301 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 820839632 OJIBEKKICGRJJD-UHFFFAOYSA-N 499.553 0.333 30 20 JCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 916949479 CQRGLRAYCWPXRU-SFHVURJKSA-N 456.480 0.777 30 20 JCED C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)CC1 919964366 UBMPCKQANSZNDI-UHFFFAOYSA-N 480.974 0.849 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920417163 YSTWGPIDNBABGM-ZIAGYGMSSA-N 468.488 0.939 30 20 JCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286628165 YVGJHHWKIBIIDM-HUUCEWRRSA-N 458.972 0.613 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1288825800 LTYHANMGHUPWBU-KUHUBIRLSA-N 455.560 0.979 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOCC1(C)C 1301968735 OYMVPPFYUTYOCP-DLBZAZTESA-N 469.612 0.318 30 20 JCED CC(C)N(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1303297887 UYPXNUZYPZYXTL-QZTJIDSGSA-N 469.612 0.459 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 1309312350 NCRGIMQAOAWEAK-OAHLLOKOSA-N 456.528 0.905 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCN1S(C)(=O)=O 1316497713 TZNYUCAJHWXZAO-INIZCTEOSA-N 460.560 0.828 30 20 JCED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1360296043 WZTSBJKTZHTUIW-INIZCTEOSA-N 475.575 0.723 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1503622896 XZRSSDFBPLZHEK-INIZCTEOSA-N 466.589 0.627 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1539803196 GWPIHSWHOAVLMJ-CVEARBPZSA-N 471.971 0.675 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)o1 1624270018 RHQRNPMXKAEEOJ-CVEARBPZSA-N 450.517 0.808 30 20 JCED C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1692841371 NMIALRXWEULEQX-AUSJPIAWSA-N 465.507 0.836 30 20 JCED CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1710299304 XHWFZEJZGUJDOQ-QUCCMNQESA-N 493.682 0.092 30 20 JCED C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1712851222 WALTUMFMSLBXDA-IEGUWTFLSA-N 488.614 0.912 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CCO1 1729683252 XLDOMLSCANFPMB-IBGZPJMESA-N 453.547 0.879 30 20 JCED COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCOCC1 1749405937 YUAYFPIQIBFSOD-FUHWJXTLSA-N 481.623 0.508 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)n4[nH]nnc4n3)C2)c(Cl)c1 1777823590 PXRBNXKNWPXHPM-VGOFRKELSA-N 496.915 0.779 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1778968057 PNEKFWOJABFWNW-XBCBRRGRSA-N 460.531 0.396 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1779101552 RBTJPCIQIWOZKI-YULLOWOOSA-N 451.455 0.755 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c(C#N)c1 1781172811 GRPNHZCSNYYJGJ-JOCHJYFZSA-N 453.503 0.272 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1)c1ccccc1 1781839093 OPWDIBDJKZUBEJ-CLCZQPDDSA-N 485.625 0.984 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1782646804 AWUHPEZPVYBWEG-QFIPXVFZSA-N 459.572 0.423 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3n1CCN(C(=O)OC(C)(C)C)CC3)CCO2 1783051717 LIBYCAQIPHSFMI-QHCPKHFHSA-N 457.531 0.753 30 20 JCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C/N=C/c2ccco2)C3)c(=O)nc1O 1783116359 MNBRGTYOPMKZCU-KKFQSSSBSA-N 471.514 0.483 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)n1cnnn1)C2 1783268692 FJDGAPLDYGXWOX-PMECCGAFSA-N 489.577 0.665 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](F)CN1C(=O)OCc1ccccc1)CCO2 1783565280 IXVWFCCTQBPAIY-JXQFQVJHSA-N 487.484 0.654 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CN(C)C3)C[C@@H]21 1784784147 GENAOLIFFVCRDL-WNHJNPCNSA-N 450.580 0.997 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)c4ccccc4C3=O)[C@H]2C1 1785060460 OBNRMUQVJKJMFJ-USNOLKROSA-N 467.522 0.691 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1785574760 REDYIRZCBWBADO-VBKZILBWSA-N 453.565 0.360 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)N(C)C(C)=O)CCO2 1785574826 TZBAHRGFJTXMJB-TXBYWVTISA-N 464.563 0.600 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(=O)n5O)[C@H]4C3)c2c1 1785630943 LFRRIHANOCOMNN-QOKNQOGYSA-N 462.466 0.741 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(S(C)(=O)=O)cc3)[C@H]2C1 1786700113 DKECUUUVEXUKCG-VBNDLKKDSA-N 489.594 0.471 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)cn1 1788601627 PVVQCIJZERFNCA-ROYMWGEZSA-N 491.614 0.691 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788658967 RPIVHPSSCCYSRC-GZJIRTPMSA-N 488.545 0.104 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788679699 IJXTUZJFNYMGJQ-MXZXMXBTSA-N 492.573 0.954 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cnnn3)C[C@@H]21 1792258382 BXWQMESPSNCJAP-ATIWLJMLSA-N 475.550 0.130 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1792452797 WQRLIMQDIHMKJU-MRGJAMOZSA-N 464.563 0.888 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(OC)OC)N(C(=O)OC(C)(C)C)C1 1793172479 HLIFVRWLALBRJV-YVSFHVDLSA-N 453.536 0.761 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC#C[Si](C)(C)C)C2 1793312107 LRVGEESSLXXNSK-GNBUJSLZSA-N 471.696 0.955 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCOCc1ccccc1)C2 1793347348 BJBHHGDYZKEZKV-ITAIVJFTSA-N 488.581 0.864 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#Cc2ccccc2)N1 1795691407 BGERZNDJNRFKII-HGJUEJDCSA-N 480.590 0.856 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnn4cccnc34)c2c1 1797369082 XBCGRUNCRFLLOR-CCWDJLKJSA-N 456.466 0.994 30 20 JCED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1797756301 INVXVUBDBRCIRJ-NTGVRKBTSA-N 450.586 0.561 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1797789828 HJHZDYBHRHEEDS-PLACYPQZSA-N 457.483 0.451 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C(F)F)c1=O 1797993235 ZELFCZQRSXGFNJ-MIFYACCESA-N 451.474 0.728 30 20 JCED COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c1OC 1798766989 CIJJHBCNARAAJZ-KDPMZQQDSA-N 462.503 0.831 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1800945045 PPRFBZRQEVJYOK-AJYBTWMASA-N 499.630 0.708 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1802024483 LIGOPOGOVXNNJY-RCJHGTSTSA-N 451.520 0.446 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1802148742 LAOKQSGDCRMOHD-ABUQBWACSA-N 491.545 0.057 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1808430841 CGYRBOQJBDDPBN-KNQAVFIVSA-N 492.598 0.327 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C3(C#N)CCC3)[C@H]2c2cccnc2)CC1 1809678498 MMXWVNJOPMJCBG-IRLDBZIGSA-N 452.559 0.945 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)[C@@H]3c3cccnc3)c2c1 1812071559 PKIOXTOYULIWMZ-HBCLNWRISA-N 459.510 0.872 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccnc1)CCN2C(=O)OCc1ccccc1 1828738850 DZHQQTONHVJNDC-XMMPIXPASA-N 479.493 0.423 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829043893 FASIOUAPXJLXLJ-VAXXYWNWSA-N 473.574 0.316 30 20 JCED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829050060 LLYKAXDPPXAPDV-SQJMNOBHSA-N 469.586 0.918 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCO)CCN2C(=O)OCc1ccccc1 1829228325 ZFPGVHUEHDRCJO-HSZRJFAPSA-N 458.515 0.751 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1829267512 RCODTAWPYVJOJR-WMZHIEFXSA-N 473.551 0.649 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCc3ncc[nH]3)C2)C1 1829334455 IZQSEENTJYMJGT-RUZDIDTESA-N 493.520 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(OC)cc3C)C2)C1 1829771250 NIXJJGJOBDOKDR-CVUHLLMESA-N 487.553 0.941 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CC)NC(C)=O)CCO2)C1 1829864629 DPVABEXQBHCGRC-XLNZFTOWSA-N 496.605 0.827 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1830351742 CLSFAVNHAZKVOZ-FHJLPGHOSA-N 495.523 0.834 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)C2)C1 1831387080 DJFXNNFYLGDMLX-BVFVYWQFSA-N 499.564 0.543 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)C1 1831388315 QHIMUKXVBVAEMJ-MZNJEOGPSA-N 454.479 0.901 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 1831397029 OGEAPRQRRISKSL-FDDCHVKYSA-N 459.499 0.940 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1831401943 JZTBZLCTJWFBPY-HHJKRLRDSA-N 491.585 0.738 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)CCO2 1832005099 CJVKBCGDSNGBFX-ZQAYVECASA-N 450.532 0.461 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1832452786 HITBNWCSZIRIOA-MBSDFSHPSA-N 499.630 0.998 30 20 JCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1833704489 FPDNIBPXONQBOF-MRXNPFEDSA-N 460.666 0.805 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)nn3C)CCO2)C1 1834166901 CIWACMZDBCPPJP-HOYKHHGWSA-N 489.573 0.715 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1 1835645260 ATMQIJJVHKAODA-OAQYLSRUSA-N 475.521 0.947 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674759 LWMGBXNTYWQHCV-FDDCHVKYSA-N 458.563 0.620 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1835680742 KSFBDWDRKPXHIV-QHCPKHFHSA-N 457.531 0.137 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3sc(N)nc3c1)CCO2 1835783356 FMFXFJAWRCKUMA-UZQCKINESA-N 485.566 0.807 30 20 JCED CC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320886 VTFFVXJXMVIPHY-HNAYVOBHSA-N 456.421 0.813 30 20 JCED CCOc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cnc2c1cnn2C 1836378714 XFXSUNMOTAGSHW-SPLOXXLWSA-N 463.560 0.755 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc4ccccn4n2)CCO3)cc1 1836392735 XGEVQPRMJBOQBY-DEOSSOPVSA-N 460.494 0.914 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)ncc1[N+](=O)[O-] 1836552762 ZORZBDARRQCXRI-XOBIUNJKSA-N 474.518 0.840 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1836842648 RLYWOQAOODSZEH-IRXDYDNUSA-N 459.609 0.904 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1837404766 CBCNGPCEDCLALK-NBGIEHNGSA-N 490.553 0.882 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCC#C[Si](C)(C)C)CCO2 1837430362 NJOAIMAWRZCBQN-QFIPXVFZSA-N 482.723 0.978 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837440835 AKYAXASDXMTPRY-RZZUAFPKSA-N 472.546 0.582 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)no1 1837444055 XLLSPJNSEARKEQ-XMHVBLFMSA-N 476.534 0.240 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837492818 VPYZSRIRSDAOSF-XMMPIXPASA-N 474.510 0.572 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837503691 XVHSEKXPLKAJNB-QPPBQGQZSA-N 487.509 0.432 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525226 KWUKRIVWOJZVNJ-JCBCYHQMSA-N 468.536 0.179 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4cc(C)on4)CCO3)C2)c1 1837548919 GVINIXRHOVBVLK-DEOSSOPVSA-N 481.509 0.663 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/C(=O)NCc4ccco4)CCO3)C2)CCC1 1837641052 WVESNHJRWZQSKI-OIUIXCLQSA-N 456.499 0.602 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131056 JQFJQLGAUHRUGH-XDHUDOTRSA-N 472.542 0.480 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CCOC1 1839191845 PFXFOJBCYPBSEZ-PKTZIBPZSA-N 478.546 0.430 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839224583 MMUUJEQTMHJVBY-UTKZUKDTSA-N 451.524 0.400 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn4c2OCCC4)CCO3)c(C#N)c1 1839518134 IBGAGFLOAPGHJU-RUZDIDTESA-N 495.536 0.859 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652087 MVUVZJVLQDBLEM-QFIPXVFZSA-N 462.503 0.081 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1839846641 YYHCMXUDFYNUIH-REWPJTCUSA-N 472.579 0.351 30 20 JCED CN(C)[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1Cl 1840044544 LJZQGQXCQHUVJS-IFMALSPDSA-N 463.918 0.487 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOCCOCCOC)CCO2 1840077731 IHIIUPJKMGVENA-HSZRJFAPSA-N 454.564 0.706 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840157365 MNCKRIAITDMGKH-MDOVXXIYSA-N 461.581 0.037 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3conc3C)C2)C1 1840906500 DBWQILWMTJZXTC-MBSDFSHPSA-N 476.530 0.970 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1840958920 JCDKZKOQNVFRHH-KHCICDEESA-N 495.573 0.117 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCc2onc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)c2C1 1843115414 KAZUHJLAKRVQNK-AWEZNQCLSA-N 472.498 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C1 1843381419 QHGUBCJVOPULFI-HLRDLLSLSA-N 450.536 0.588 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300712 XERZZQNZDSJAJC-OGJYGHNHSA-N 454.524 0.604 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301957 RRGPCWDOZCJJKP-ROXVCHECSA-N 468.551 0.995 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCN1CCN(C)CC1)C2 1847068737 HTMNNVXHFFFSCD-LJQANCHMSA-N 461.607 0.744 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1847102817 VNRUGETZFJFOTK-LJQANCHMSA-N 494.556 0.884 30 20 JCED Cn1c(N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c(C#N)c(=O)n(C)c1=O 13104971 JNDUFAMEFOHWNN-UHFFFAOYSA-N 467.555 0.455 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)c1 16559392 REORIKGDDJOJRJ-HOCLYGCPSA-N 456.542 0.179 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c1 16559736 ZEDWKDLMBARVDB-CQSZACIVSA-N 491.547 0.380 30 20 JCED Cc1noc([C@@H]2CCCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)n1 516616610 OFTFUDKRXONRCP-GOSISDBHSA-N 458.544 0.962 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)cc1 593279258 XVHBPJNVWHKXIJ-UHFFFAOYSA-N 481.505 0.945 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CC(=O)N(C)C 604270048 NUFAGQKTRVVIKP-UHFFFAOYSA-N 462.597 0.414 30 20 JCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 746483698 KYNMSZBMTQIWSN-UHFFFAOYSA-N 487.578 0.753 30 20 JCED CCOC(=O)N1CCC(NC(=O)CCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 915290767 PKJVRCHUNCGFRK-UHFFFAOYSA-N 493.586 0.749 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917783232 KFSWKTKYBDGOIM-UHFFFAOYSA-N 457.556 0.596 30 20 JCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c1=O 918729370 ITRHQUPOGYUOFY-UHFFFAOYSA-N 476.986 0.935 30 20 JCED CCN(CC)S(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1225937803 MAQXMTMYYMCSIC-HZPDHXFCSA-N 458.585 0.659 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1510188011 LTPPDOMAGCHLOK-AWEZNQCLSA-N 458.610 0.843 30 20 JCED CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1516783310 KUKVVVWYOKHVCI-AWEZNQCLSA-N 454.578 0.625 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1618847276 OKMJXMMVQKUMJG-QGZVFWFLSA-N 473.559 0.479 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)o1 1624270023 RHQRNPMXKAEEOJ-HOTGVXAUSA-N 450.517 0.808 30 20 JCED N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1 1666062017 KETJVTXYTIZUJN-UHFFFAOYSA-N 450.527 0.653 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1696501816 VDVXAYPWNLSSIH-LBPRGKRZSA-N 458.342 0.704 30 20 JCED C[C@@H]1CCCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1743096249 PCFHIVFCGWZQAH-ZHALLVOQSA-N 464.640 0.797 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1749831121 WHKZXDODKMYOTG-JKSUJKDBSA-N 459.594 0.514 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1751222144 OSLWKMXPXNSLML-RNODOKPDSA-N 461.523 0.664 30 20 JCED CS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771368840 UDRXZGFWGGBJOB-UHFFFAOYSA-N 467.559 0.406 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1778117855 XDAGEOAJGDSCJO-MLKBUXGZSA-N 486.591 0.017 30 20 JCED CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)/C=N/N3CCCCC3)C4)CC2)CC1 1780652854 RPLIDIKFWHOFMW-KELNXXOKSA-N 474.650 0.752 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1781166936 VZKKDDVMPSWOJF-FDDCHVKYSA-N 467.563 0.522 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)C4)c2c1 1781204470 BBLNXGBQEXUJCD-JTUHZDRVSA-N 467.530 0.155 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1782468044 YGMHQVVWQAQNDQ-FDSZKQNJSA-N 461.563 0.562 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1784482531 DSLVZVRCFXGJGY-XUFBONQXSA-N 479.574 0.375 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1784506291 LOIPISZKHLXRMG-FKSLSLAPSA-N 469.579 0.833 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1784601543 RUOZKSLFZPHUAA-LYHRCORUSA-N 452.515 0.967 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786804307 OBYYMXNPIIPAIN-GMOHSKTFSA-N 493.605 0.028 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1789839371 UNTCCKQJQZUIHJ-OLGWUGKESA-N 492.617 0.386 30 20 JCED NC(=O)c1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1790130501 CKOWEKQABZPWTH-OFFMPPFZSA-N 458.515 0.908 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077690 DZUXIJFFEHNPLQ-AUCYZEHXSA-N 489.569 0.947 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4ccc(C#N)cc4)C[C@@H]32)c(=O)nc1O 1792128661 CBJISTLSHREMSO-ACRUOGEOSA-N 479.537 0.742 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C)cc1-n1nccn1)C2 1792489707 KAMVFSANAXOERH-GUGIZKONSA-N 464.526 0.637 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCNC(=O)OC(C)(C)C 1793088125 JEOADIJNPHDYJL-WERVVEIQSA-N 499.605 0.725 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1793359176 RCDAWZQGPUQORE-BMFAXAFESA-N 455.552 0.708 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795645125 GNJRSJGHDUNNEZ-OYNZLANYSA-N 482.578 0.498 30 20 JCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CNCP(=O)(O)O)C3)c(C(F)(F)F)n1 1796458584 KVZLVSXMSAMIKX-CLLJXQQHSA-N 475.364 0.949 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1797588353 ZHEOEVUBZQJVOU-CXHZTBPHSA-N 484.431 0.845 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2 1797814973 FQQFLBYODCWRPZ-RHNPYBAZSA-N 460.516 0.819 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1799320868 UFJVBUIMFPOISR-ZMMAXQRCSA-N 480.562 0.888 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(c2ccccc2)=NN1 1800154751 BVSSQSNPIYJKBG-BAYUQKDNSA-N 454.527 0.852 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=S)NCC)NC(=O)OC(C)(C)C 1800187455 IWXBMTSIRKUNTC-CLWJZODNSA-N 497.662 0.920 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1800736846 AJKRJBYDRKOGEK-JHQBWLJPSA-N 461.559 0.727 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2)C(C)(C)S 1800907949 PYHOGRMXYRDRJW-YALNPMBYSA-N 482.607 0.469 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)cc1 1801443371 MLKVGFNNLGGYEQ-LJDSDSDDSA-N 481.578 0.990 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1802482623 MLEBTORGQTYLAD-NPIIGJQGSA-N 498.565 0.411 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H](CNC(=O)C(O)O)[C@@H]2c2cccnc2)CC1 1802924752 ZJABGLQKRQMXHS-MSOLQXFVSA-N 487.557 0.939 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1802957870 HTAIPIYFVPHSST-BVAGGSTKSA-N 479.581 0.878 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1808430846 CGYRBOQJBDDPBN-UGKGYDQZSA-N 492.598 0.327 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810355937 GOJPXPWHZXGZTG-FYILZEBPSA-N 460.535 0.209 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1814062408 GPYSXGKNTCDIRD-PGRDOPGGSA-N 487.453 0.763 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1822928279 SQCBLKIAGXYLND-YJYMSZOUSA-N 452.533 0.215 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829124349 PJIPOHRKBKFJIL-XMMPIXPASA-N 465.510 0.728 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCn1ccnn1)CCN2C(=O)OCc1ccccc1 1829392569 GHQDNELXNZHKNM-HSZRJFAPSA-N 450.499 0.754 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)cc1 1829635796 PONYLJPJFXUVOK-YKSBVNFPSA-N 454.527 0.473 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1829765109 GXHLCLDCUYMCFR-LLFPJYNESA-N 456.543 0.044 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1829770311 IUGYTMBPTCCUER-GYLQWBMOSA-N 453.499 0.491 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829928055 NYMXQPSPYCECCR-JXQFQVJHSA-N 479.574 0.929 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465683 QAYPIKVIRKJTTB-HTAPYJJXSA-N 482.986 0.829 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(Br)n3)C2)C1 1831396048 HMVBQFCQRPCJKN-QVKFZJNVSA-N 496.358 0.961 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 1831397038 OGEAPRQRRISKSL-WZONZLPQSA-N 459.499 0.940 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831411579 YOHFDIWZZPOTDY-AIBKJFCZSA-N 453.536 0.955 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC(=O)O)CC2)[C@@H](O)C1 1831673944 ZRKNHKUHMCAASU-FHWLQOOXSA-N 477.558 0.922 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC)C2)C1 1832000032 FUBIGCAYONYHOM-HOIFWPIMSA-N 455.552 0.947 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCC)CCO2)C1 1834981471 NXFPLJUBFNOFKE-VGOFRKELSA-N 455.552 0.949 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116855 IDWNCZXUZQBBKI-UHFFFAOYSA-N 484.663 0.966 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835211631 PJRWFTOYUFOFNS-SBUREZEXSA-N 469.579 0.883 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)c1ccc(F)cc1 1835345726 WXYFJXTZJZECFI-XXBNENTESA-N 458.490 0.763 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1835355047 QBQKNVYNVJNUPN-XMMPIXPASA-N 468.510 0.823 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835365735 TYXLFQAKDCRXAZ-VGSWGCGISA-N 482.534 0.203 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835381998 FUNSGGPOEJCGEQ-CPJSRVTESA-N 492.617 0.845 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCOCC2)CCO3)ccc1F 1835398060 BRMPMDCLEPNTCY-HSZRJFAPSA-N 460.506 0.028 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cn4cccnc4n3)CC2)CC1 1835545602 MWXLQLCLSABEMC-PLNGDYQASA-N 465.558 0.773 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1835677162 JZRNUMWEJRKOJG-JOCHJYFZSA-N 455.519 0.081 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836479125 AGJNLTGTYGXYAO-JXQFQVJHSA-N 478.590 0.830 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837112588 HVCFQXJTPOOXRE-RWOVVYLESA-N 454.531 0.876 30 20 JCED O=C1COc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cc2N1 1837444328 YGIFTZNASSBYKI-ZVWIGDQWSA-N 485.541 0.559 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)cc2C1 1837492755 RJJIZIQFVJWLIV-AREMUKBSSA-N 499.612 0.487 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837640939 VGWMDCPTQDFQSR-JPYJTQIMSA-N 452.515 0.485 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)c(O)cc3O)CCO2)C1 1839251343 QXVBVXHLJZIAGL-QKKBWIMNSA-N 452.891 0.860 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)Cc5ccc(C#N)cc5)C4)C3)cc2C1 1839620365 CZLSZYMQEMWUDH-SANMLTNESA-N 492.580 0.903 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1839716522 OGTXDESOJMOBLT-SANMLTNESA-N 483.565 0.961 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1839783336 AGSDJNCGBFQWCC-SIKLNZKXSA-N 477.539 0.214 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(O)cc1 1840044170 OTPAYHAMTKTRTP-CYFREDJKSA-N 454.479 0.434 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)c1ccc(O)cc1 1840221825 MFHJWVBUEVARQD-KBMIEXCESA-N 480.521 0.743 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1840547892 AHTRJDJMCNOTIE-JOCHJYFZSA-N 463.556 0.382 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847105077 DCBIZSISIAGEBY-GOSISDBHSA-N 484.557 0.866 30 20 JCED CON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 10453601 MLFMCQJKMIQCBB-UHFFFAOYSA-N 478.552 0.887 30 20 JCED Cc1ccc(N(CCC#N)C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1C 10906769 VZCLCDFQLZKLQG-UHFFFAOYSA-N 452.471 0.541 30 20 JCED Cn1c(N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)c(C#N)c(=O)n(C)c1=O 488068022 TVGGPWBGEBYDQT-UHFFFAOYSA-N 454.512 0.405 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3)c(=O)n2CCCC(=O)OC)CC1 501761152 APBHGWLAXMTBQS-UHFFFAOYSA-N 486.569 0.669 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc1OC 507086898 NRQPPEBPCUMPTG-HNNXBMFYSA-N 473.551 0.661 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(OC)c4c(c3)OCO4)c(=O)n2C2CC2)CC1 514491325 DLHRKMOZJAVHIK-UHFFFAOYSA-N 482.562 0.649 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2Cc2ccc(OC)cc2)CC1 603552703 RJQOXYPUJJZBNO-UHFFFAOYSA-N 492.605 0.367 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O 725917719 DCVLIYNGNQXKOE-QHCPKHFHSA-N 498.517 0.981 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c1=O 838254580 DODVYLXDOJEDPR-CYBMUJFWSA-N 455.536 0.670 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)c1 914426295 CSJDHSGZSQWBCW-DOTOQJQBSA-N 458.558 0.636 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(OC)ccc3ccccc23)c(=O)n1CCOC 916198252 ICSJMNYEELKFFY-UHFFFAOYSA-N 467.547 0.984 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 918609463 XGTOUNYWMUTYCA-YJRIJEEWSA-N 482.584 0.474 30 20 JCED CCCCS(=O)(=O)N1CCC(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 919361615 QQXXCTXWJJELQS-UHFFFAOYSA-N 481.575 0.888 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCN1CCCO 1288841678 SCICJTLNSWPQOU-SQGPQFPESA-N 453.613 0.865 30 20 JCED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301737098 SYLOPYXVSKRHMM-IBGZPJMESA-N 468.562 0.863 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1303472788 PTEUFCXAZLTOMF-QAPCUYQASA-N 462.532 0.847 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)C1 1502472400 STMUQEZOWCRXIY-QGZVFWFLSA-N 466.589 0.769 30 20 JCED COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)CC1=O 1561840616 KFXHVWMDHUEYBJ-ZDUSSCGKSA-N 459.366 0.778 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CCOC 1589404542 KOFOFHDLRSQPAI-CQSZACIVSA-N 477.385 0.886 30 20 JCED N#Cc1c2c(cn(CC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)c1=O)CCC2 1613745851 JJTAHALZCWABCE-UHFFFAOYSA-N 456.524 0.546 30 20 JCED N#Cc1ccc(S(=O)(=O)CCN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1617346164 XZUFFBCMTRFHFG-UHFFFAOYSA-N 454.496 0.783 30 20 JCED COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1618867172 SPXLXMVKGJYVCO-KRWDZBQOSA-N 459.528 0.756 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722557722 ZOUMFFSNTACNCN-CQSZACIVSA-N 452.002 0.698 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccn(C)n2)CCN1S(C)(=O)=O 1731153261 HNHJGUHCOGKMTM-INIZCTEOSA-N 470.559 0.981 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CCS(C)(=O)=O 1740745339 RYTFGSMITCRGFS-LBPRGKRZSA-N 455.400 0.960 30 20 JCED N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)NCC(F)F)CC2)c1 1771533986 IMGLOZJYRRJSFU-CQSZACIVSA-N 459.461 0.204 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cc(O)nc(O)n1 1778017279 FSQWZVBMTZGNSZ-VAUFHKDESA-N 463.491 0.544 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1778056846 FKABVYHHTCEBRV-HXXZAYCWSA-N 473.574 0.994 30 20 JCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CS(=O)(=O)N3CCCC3)C2)CCC1 1778091266 MFROOERGOCSSDW-DYESRHJHSA-N 452.577 0.620 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)ccc1F 1781301180 PUDXVSIQSPNXSO-QFIPXVFZSA-N 452.446 0.272 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781310748 SJEUSZDOQILPQA-NLFFAJNJSA-N 498.584 0.527 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781338724 KVNSBUGGHGXSJN-UZUQRXQVSA-N 481.594 0.374 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCN(Cc3ccccn3)CC1)C2 1782011190 PMLPCOTWRQVZRC-PXDATVDWSA-N 468.554 0.896 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CS(=O)(=O)N4CCCC4)CCO3)C2)c1 1782059951 LDLOCGJACSFKRU-JOCHJYFZSA-N 460.556 0.736 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CS(=O)(=O)N5CCCC5)CCO4)C3)c2c1 1782196008 PBPSECGILGECQQ-QFIPXVFZSA-N 486.554 0.304 30 20 JCED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cnc4c(O)nc(NC(=O)C(C)C)nc43)C2)C1 1782885964 NAHAMOHJSXCRKL-QFIPXVFZSA-N 471.518 0.532 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)C1)C2 1783270185 UKEGHIWUHZDIIP-MNFWLRKXSA-N 476.574 0.553 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783566192 QZJZGBIYQDEGHA-HSZRJFAPSA-N 457.483 0.010 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1783601676 BIDAILWVDLWPPE-QVKFZJNVSA-N 452.508 0.576 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1783894127 IBAOUZVMYNHMPA-WJONJSRFSA-N 486.635 0.896 30 20 JCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1)n1cnnn1 1784595991 VVKYHNRWUWYHHM-KZULUSFZSA-N 464.408 0.663 30 20 JCED Cc1cn(CC(=O)N2CC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c(=O)nc1O 1785356323 HDVSBIQJDDEUPS-HSZRJFAPSA-N 467.482 0.038 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1785517653 VGVNILHMXBUNSI-MBSDFSHPSA-N 463.531 0.686 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1)c1ccc(O)cc1 1786844306 FKSIDXRAICPYJY-LGGPRVQUSA-N 467.570 0.709 30 20 JCED O=C1Nc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/N5CCCCC5)C[C@@H]43)cccc2C1=O 1788436015 DAORZBYONMVZNI-UAZLUECFSA-N 467.526 0.886 30 20 JCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(-n5c(O)nnc5O)cc4)[C@H]3C2)CCC1 1789273612 UIDMREJZSJXVEY-SZMVWBNQSA-N 466.498 0.966 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21)C(F)(F)F 1790883285 WIMZOFCNBYSMJB-YXWQFLTLSA-N 455.437 0.693 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)C[C@@H]32)cc1C#N 1792056874 IEMOOPYWDKIBRD-CAIZAGQASA-N 483.525 0.537 30 20 JCED CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccccc4C#N)[C@H]3C2)CCC1=O 1792145403 ZBEFVOVXBCTZQV-ZWOKBUDYSA-N 453.499 0.525 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1792170234 OVVCNYNSUOTOCE-YHDCXSKOSA-N 463.575 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1cccc(F)c1)NC(C)=O)C2 1792491256 DQHMIRIANZDOCF-HTDHBILISA-N 486.544 0.321 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2 1793599898 JTYIISUJJGHCHN-IVSAIRAKSA-N 454.524 0.401 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1793830386 ZUPMWGHWYWVJOE-QRJUGERDSA-N 463.535 0.692 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)nc2O)C3)c(O)n1 1794489742 FHZKCDQWLCCJAV-FVCICTRLSA-N 455.471 0.624 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)C1 1795409403 GSISDVJYJUYLIQ-IKJLZNBSSA-N 474.558 0.763 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCN(C)CC2)c(O)n1 1795445508 NJOBOGIHYFKFMV-BBIADKPPSA-N 471.602 0.747 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795645124 GNJRSJGHDUNNEZ-OREBXVKISA-N 482.578 0.498 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc3ccccn13)C2 1797809722 CDBWTMQTFYBTMI-PNRPCRMYSA-N 455.515 0.995 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797810907 BHNHRQKBNYWJEP-QLUOCXPCSA-N 451.549 0.132 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(OC)nn2)C3)c(C#N)c1 1799238681 ROGCJLSGCUZOGA-FAQVEIGNSA-N 451.483 0.811 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 1800706549 MGWNYSCBCADTTC-RJRFQMQXSA-N 488.585 0.691 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800774040 NMRICSRUJQLUCC-WEMPKCCASA-N 485.537 0.800 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800990813 ZUZZGYHLZMGKEM-RMEBNNNOSA-N 459.565 0.351 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1802226863 QEWATEWYGVZMCX-UJWQCDCRSA-N 499.630 0.991 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)N1CCOCC1)C2 1804376726 NUHMRNZVUVUDPE-UONLAYADSA-N 464.563 0.192 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(O)nnc3O)cc2)[C@@H]1c1cccnc1 1812877849 QHPKAHFYQWQBJX-OXQOHEQNSA-N 476.449 0.481 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1819454256 GVKWSBYOBZIBQD-DBIVKPHISA-N 464.523 0.581 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819886953 OIKXPDPCZQMKTA-HFPPPRFQSA-N 450.565 0.177 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310350 VKGUNHBYGHQYBF-CJFMBICVSA-N 466.538 0.988 30 20 JCED Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)nn1C 1829332408 KHYVZNDTWRHDBR-VWLOTQADSA-N 493.520 0.882 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1829466701 OAWNHUYCMGASAH-RUZDIDTESA-N 498.536 0.395 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829714864 GWBCLHISGCUJEA-OAQYLSRUSA-N 455.577 0.001 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1Cl 1829955997 DDKVTLUUVWIXPE-KSFYIVLOSA-N 460.918 0.808 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c(Cl)c1 1829958964 CBNUXOHTCXKXGA-AOMKIAJQSA-N 460.918 0.808 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830056531 DKUKDLRTOYTDCZ-XFAGBWLFSA-N 494.589 0.610 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1831401717 FTQBWWBWYDPATP-WIEQDCTASA-N 484.475 0.638 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1831496379 VPWAORUDDZVCFU-KNQAVFIVSA-N 465.620 0.743 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1832446622 DBKMIAGIRDXTAA-MBSDFSHPSA-N 499.630 0.998 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)cc1 1833488918 MSAYHLKZEIDQRT-XMMPIXPASA-N 479.493 0.749 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338589 MRBHOZUFXZUICA-OPAMFIHVSA-N 466.535 0.022 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835355131 VHKJZCYOJAIRSJ-VGSWGCGISA-N 466.535 0.382 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc4ncccn4n3)CC2)CC1 1835540298 SQXZEOLTBDXFHC-PLNGDYQASA-N 465.558 0.773 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNc4ccccc43)CCO2)C1 1835716565 YCOZURXOAWEOGQ-NTKDMRAZSA-N 455.559 0.934 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835765950 RMXQTRRGCFAQIB-NYYYDFRBSA-N 486.635 0.768 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)c2c1 1836419001 LXKYFXVVJADPKE-HSZRJFAPSA-N 478.465 0.625 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1837440815 ZJUOJDMYWULHBY-RVEDCGPMSA-N 464.563 0.504 30 20 JCED O=C1CSc2ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cc2N1 1837565235 OYBJNJDJDLMHLO-BKINLPNISA-N 499.549 0.908 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1837605509 AZRXNBNTZGPVEP-WJPUGNRLSA-N 465.576 0.006 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837822657 JYHWPCRVLOHWRT-HOYKHHGWSA-N 488.541 0.774 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]cc4I)CCO3)C2)CC1 1837963665 WGICBLKGJZITCE-QGZVFWFLSA-N 485.282 0.388 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1839174749 VBQYPYNUWHCTEA-HXUWFJFHSA-N 452.533 0.613 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839645930 VQWMXJSYZKPUSY-VHFIJRQBSA-N 454.527 0.987 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839667015 RTEZIYSDVYUZHL-VVNADBLQSA-N 486.573 0.128 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839684686 PZGXZKYILRUVES-JNVMUYNCSA-N 451.476 0.717 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(I)c(O)cc3O)C2)C1 1839809565 XTJUILRTSXIMEH-GOSISDBHSA-N 486.262 0.406 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CCO2)C1 1840010207 QNRJTGWKTHDOLY-NZYYMUPHSA-N 469.604 0.874 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)CCO2 1840038275 ODKNNBPMLBALPZ-FQCWUYQVSA-N 491.585 0.881 30 20 JCED COc1cccc(-c2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c[nH]2)c1 1840040946 HHFKWMKWBQRKEI-XMMPIXPASA-N 467.478 0.848 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)C2)C1 1840043240 MYGGRINVRQPQHS-OFVILXPXSA-N 469.538 0.586 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CSCC(=O)O)CCO4)C3)c2c1 1840194034 VGGPMZLKBIBIJI-OAQYLSRUSA-N 473.511 0.322 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840818507 HBZKOVIRIFDBCQ-JOCHJYFZSA-N 453.455 0.203 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1840820558 WLJYEDQYBZWLPF-XMMPIXPASA-N 481.509 0.522 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1840908520 MXHDSOZMHFCYIN-VXFGQUIQSA-N 499.568 0.863 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1840909158 NPXGTURYEMILRN-HXOBKFHXSA-N 491.545 0.294 30 20 JCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)c(O)n1 1841893417 IHLCDOROXUKYGL-UHFFFAOYSA-N 462.572 0.453 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](COC)NC(C)=O)C1 1844383492 IZFDQXMTKQBZSF-SJORKVTESA-N 452.552 0.810 30 20 JCED N#CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 25694724 JSWQPVBHXFJEEJ-GOSISDBHSA-N 494.595 0.146 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2C2CCN(C)CC2)CC1 518716261 JIVIPIHIGONJMC-UHFFFAOYSA-N 472.640 0.300 30 20 JCED Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C 549844620 DJIRWHNJPSQGFJ-UHFFFAOYSA-N 476.580 0.987 30 20 JCED COc1ccc(-c2nn(CCC#N)cc2C(=O)NCCN2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 559255702 WVXJWQRMZMYBNX-UHFFFAOYSA-N 476.515 0.841 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)cc2C)c1=O 603796602 LEAKSTVGMFPQLN-UHFFFAOYSA-N 454.596 0.888 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828927 RQZBAXKCRXSTTJ-UHFFFAOYSA-N 486.550 0.302 30 20 JCED COc1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCCCC1 609342071 MEQKZPWTVNCZDN-UHFFFAOYSA-N 463.560 0.912 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(C(N)=O)cc1 609351180 SRJRIOWBWTYYDC-UHFFFAOYSA-N 484.484 0.542 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCS(C)(=O)=O 729673344 KVLQDXXGTDMUPL-UHFFFAOYSA-N 491.635 0.617 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCS(C)(=O)=O 729674124 CGMMHJSBAWMWKY-UHFFFAOYSA-N 451.545 0.513 30 20 JCED COc1cc2c(cc1OC)CN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)CC2 749275032 QVPWAPORNZUOAN-UHFFFAOYSA-N 473.507 0.982 30 20 JCED Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 914791376 OQFRKPANVBEABA-UHFFFAOYSA-N 465.509 0.966 30 20 JCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1OC 919227444 RVJVNEGREFBVJB-CQSZACIVSA-N 469.516 0.642 30 20 JCED CCN(CC)S(=O)(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1225937792 MAQXMTMYYMCSIC-CVEARBPZSA-N 458.585 0.659 30 20 JCED Cc1nn(C)c(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1304725426 WMWKSVRZTXVGNK-GOSISDBHSA-N 462.580 0.750 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1360312314 OJWYVIZKBXTIJF-LJQANCHMSA-N 459.576 0.665 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)=O)CC1 1507786786 XHMSJJVLGMYGPT-OAHLLOKOSA-N 491.412 0.578 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCOCC2)CC1 1761363070 KLPOPIAVCABMOK-DLBZAZTESA-N 467.596 0.214 30 20 JCED CCOC1CC(O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)C1 1767695843 KQMZZKFVVWQWES-UYFTZEKXSA-N 456.569 0.279 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778917536 MDAATZWJPQUMFO-XKDCRVNJSA-N 457.531 0.182 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC)NC(C)=O)C1 1779557032 VEWBNANIOFUEFO-JBYIUTFZSA-N 453.536 0.161 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1780335309 QVGKWHKQJFLWGB-KDLAUNOPSA-N 487.557 0.948 30 20 JCED COc1nccc(I)c1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1780363358 FXCBLVXRNQTMAI-GOSISDBHSA-N 499.261 0.226 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2nc[nH]c2[N+](=O)[O-])CCO3)c(C#N)c1 1781172404 OVAHKOQGSJOXGA-NRFANRHFSA-N 454.443 0.884 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)ccc1Br 1781902360 HCIFMPPPMNBALV-LJQANCHMSA-N 460.288 0.640 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)cc(C(F)(F)F)c1 1782033564 DHQCTRAHYZSVQU-FQEVSTJZSA-N 464.448 0.861 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1782668528 XXKJKAMOMVSSBN-ZKUZFRAQSA-N 473.530 0.559 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558568 ZRLJAMYRSULAEA-UUOWRZLLSA-N 486.525 0.435 30 20 JCED CC(=O)Oc1ccc(Br)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566398 ABSMLBAOTXIQSE-HXUWFJFHSA-N 479.283 0.906 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783771237 PBGPPELZZJESSP-WAIKUNEKSA-N 476.530 0.211 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1784783500 BRNSHARERWGWOB-FKSLSLAPSA-N 478.590 0.962 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CCO2 1785421151 MDNIWBPRULVUTJ-JJABLZQASA-N 469.604 0.892 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)/C=C\C(=O)NCC=C)CCO2)C1 1785572371 NIHLGDJQRSONBJ-GKNRWODDSA-N 474.558 0.591 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1785623221 ASBQHOVUJPAERJ-AOMKIAJQSA-N 480.566 0.462 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1785685249 DEQZOWHYCAWLSZ-IEZWGBDMSA-N 460.556 0.913 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21 1788773981 OLKISLDHNQSLJS-MGHWNKPDSA-N 497.474 0.716 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1789954936 HBJYMPHABJAKCL-WSRJKRBPSA-N 460.535 0.376 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1790174894 FMPZRPOCAHGJCU-CGBFIWBNSA-N 458.515 0.995 30 20 JCED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]2C1 1791144824 LUOUMLRUAZNFSZ-FKBYEOEOSA-N 468.591 0.856 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)cnn1C)C2 1792489279 NMCAEOQDKTYZLP-LXBXGBMDSA-N 466.336 0.244 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1792887642 UCGKHFHFINWEHU-UHDSXZAQSA-N 456.540 0.263 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccnc2C(N)=O)c(C#N)c1 1794269383 PGUVWRICWNQJHU-UPHUGPLXSA-N 463.494 0.507 30 20 JCED Cn1c(=O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)nc2ccccc21 1795598168 JGIQOLPKFGAFBN-HGKCTWBKSA-N 466.542 0.419 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N(C)C(C)=O 1796458503 CVMXSZZTKKKQMX-NLNMYJFZSA-N 464.563 0.359 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797815922 YDXPVLRULACVHO-COCQQYAMSA-N 498.577 0.381 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1797929246 LGAZHMAWKYIZRM-NTNQKNOYSA-N 452.515 0.943 30 20 JCED CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236362 MHFGGZDMMGURIU-BJWYYQGGSA-N 477.562 0.205 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1799353474 PAEORWMOIOUTKQ-DFGXFYAUSA-N 457.593 0.771 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1799395995 MFZFVJTVVCPLGT-YGBCKFAYSA-N 482.578 0.749 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c(Cl)c1 1799749359 RDNMITIEHDROJJ-CWPLJXCYSA-N 480.974 0.840 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)N1CCOCC1)C2 1800025163 MJWUMQJFGLYBBQ-ZNOYZCKDSA-N 492.617 0.972 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1800824387 KCDNXFWARUGLHW-BSQBWSPESA-N 462.547 0.640 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2 1802226340 MGIZJHBKEMPRKG-QKPAOTATSA-N 456.565 0.866 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CN2CCSCC2)[C@@H]1c1cccnc1 1802440316 GNXQWKGELMSXRZ-KLCWCRIBSA-N 457.600 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CC2)C1 1804857940 SDCWUICDVKVSIC-KKHYBRAUSA-N 470.574 0.547 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808693736 MNHLCCRLBIPDST-UWVAXJGDSA-N 474.514 0.451 30 20 JCED O=C(Cn1ccncc1=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1812343231 SJRJEPJZEODKBC-RPRPLSGUSA-N 451.531 0.816 30 20 JCED Cc1nn2cc(CC(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)nc2s1 1812873842 HGXFGIODQOQHNA-FOIQADDNSA-N 452.496 0.831 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)[C@@H]1c1cccnc1 1812883285 ZCQGBFXZEYBXOH-MHECFPHRSA-N 472.457 0.919 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1814035151 DQDAHUSEQFDWPR-KPFFTGBYSA-N 453.499 0.397 30 20 JCED C[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1815799345 FATLCORFRVMVAE-DGCLKSJQSA-N 474.547 0.167 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)nc4cccnn34)sc2C1 1821262496 VRNNHPUGFFLFTD-MEJMFZKBSA-N 479.522 0.630 30 20 JCED CC(C)(C)[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330643 NAVPJDGVHJXPPZ-PXDATVDWSA-N 485.537 0.934 30 20 JCED Cc1nccnc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829335083 UDFHILRPMQPFPY-VWLOTQADSA-N 491.504 0.939 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)cc1 1829630085 QOGAVSBLKHHSAR-DEOSSOPVSA-N 466.494 0.660 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)cc1 1829634568 RJRROOFOKHBISC-QHCPKHFHSA-N 451.483 0.344 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1829692525 VJIWZULJQVWWAI-DOWNOZBLSA-N 487.619 0.379 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(OC)n3)C2)C1 1829763922 FUPJNZQIEZCZID-SINIUOCSSA-N 472.542 0.338 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c(F)cccc34)C2)C1 1829770090 DHKQHPIJDIHIHJ-KSEXMQBYSA-N 471.489 0.630 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904021 KNDZZTCLAZOROD-HOYKHHGWSA-N 456.543 0.862 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1830341524 QDYYATRPLULZAJ-FQEVSTJZSA-N 483.631 0.846 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccoc3C1)CCO2 1830923819 GWGQWXDBXAJUPG-LVVLGITISA-N 457.527 0.699 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C2)C1 1831209214 JOKCPTNVLJJMSO-AREMUKBSSA-N 494.523 0.914 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3CNc4ccccc4O3)C2)C1 1831397433 YAPMAPWNGBUYOL-YDIMBITNSA-N 457.527 0.744 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 1831399533 WGDSAPJOTBLGGS-HXOBKFHXSA-N 475.498 0.641 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1831420972 BPZIJDXEMZGZIP-FDDCHVKYSA-N 455.515 0.928 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1831492557 LMAHLBRDBKZIJM-AVRDEDQJSA-N 461.540 0.846 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)ccc1Br 1831573266 BOIIIZMPGNINRS-OXJNMPFZSA-N 493.314 0.499 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2)NC(=O)OC(C)(C)C 1831614190 GCBYIHPHOATUJW-YTZAWJCFSA-N 496.605 0.814 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)CC1 1833073697 ADAQUIOEMDDGDH-WAYWQWQTSA-N 470.574 0.430 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3nn[nH]c3C(F)(F)F)CC2)CC1 1833075263 CPODNGIFUYUPSE-ARJAWSKDSA-N 483.495 0.867 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc(OC)n(C)n3)CC2)CC1 1833075487 RDXMWXCGPNYIBM-WAYWQWQTSA-N 458.563 0.472 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)cc1 1833108057 XFGXARGMPMJTLE-UHFFFAOYSA-N 466.542 0.224 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(-n4cnnc4)cc3)CC2)CC1 1834650774 KQCZPTJHSJTIDC-UHFFFAOYSA-N 450.499 0.541 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835358606 HAUJJYOZZLPYPU-KKSFZXQISA-N 454.524 0.022 30 20 JCED C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1835528459 FDWOQFILCYLDFS-KOSHJBKYSA-N 493.605 0.578 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1835642464 OGHWUZSXEGLKTE-FOIQADDNSA-N 494.511 0.803 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1835681004 RHTZKCDDADJVAV-DEOSSOPVSA-N 461.607 0.743 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1836995786 VWJOPXOCEKJBBK-IYZQMXKPSA-N 453.499 0.263 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)c1 1837046784 WOVJVLIYJBFPAT-UHFFFAOYSA-N 483.525 0.731 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837195903 CDVKYYYHIHUQGZ-GZNYDSFXSA-N 472.502 0.557 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1837396439 GUTWGXMSXMYAFD-YADARESESA-N 472.542 0.698 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)no4)CCO3)C2)c(O)n1 1838103644 PZNOKFACPNCIER-QFIPXVFZSA-N 458.471 0.983 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1)C(C)(C)S 1838322139 DZZHUUFROCAIOR-SPLOXXLWSA-N 499.590 0.741 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)nc4sccn24)CCO3)c1 1838418761 OKHWUMAVWLTWCT-NRFANRHFSA-N 468.495 0.340 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)c3ccn(C)c13)CCO2 1838440239 SCNXUMPBPDGNKN-XMMPIXPASA-N 486.525 0.858 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)cnc2c1 1838736847 APZILDFAJBPACF-DEOSSOPVSA-N 476.493 0.587 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(-n5cccn5)nc4)C3)C2)c1 1838738159 UEIONVJSNJLOTR-QHCPKHFHSA-N 461.482 0.851 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905952 ILTGEWMXYYBDFT-CYFREDJKSA-N 488.541 0.514 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnn4)C3)C2)ccc1F 1839188013 GUSGAQIFEHXQGE-HSZRJFAPSA-N 469.473 0.565 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1)NC(=O)OC(C)(C)C 1839195725 FOBICMVIUPNLJH-JPYJTQIMSA-N 485.578 0.311 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1839488520 WXQKJGTXAZKRJL-UGOWRUBQSA-N 478.553 0.845 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccccc3o1)CCO2 1839499935 GBIROBHWHHSTFZ-XBKFQHLESA-N 454.483 0.756 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1839838941 TZZLKCCPJGUJCP-YZZKKUAISA-N 469.579 0.931 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840017547 RROXYIPUARJGOY-XNBKKKCTSA-N 483.565 0.926 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncc(C(F)(F)F)c3)C2)C1 1840044527 ZZCHQMJBALYCIA-FQEVSTJZSA-N 469.416 0.577 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251696 ULDBHJSYUSCWCD-YADARESESA-N 489.573 0.905 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(Cc3ccco3)C(=O)OCC)CCO2)C1 1840340329 DNTADWOWWYFHOH-CYFREDJKSA-N 491.541 0.733 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568612 FCEBODAEAVIAIO-MBSDFSHPSA-N 466.579 0.474 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn1 1840819610 VYFNWROAZGGDQD-VWLOTQADSA-N 494.504 0.889 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840903845 JPPDICQTTZBQFI-NTKDMRAZSA-N 459.543 0.772 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1840909506 UKPHFLIQARXFGP-UUOWRZLLSA-N 494.589 0.132 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841894311 MVBARPRMRURBPC-UHFFFAOYSA-N 453.681 0.971 30 20 JCED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)ccc1F 1843130564 LBJCHMRRWNCSBL-UHFFFAOYSA-N 457.487 0.909 30 20 JCED C=CCNC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 16792493 STXGKZBNEOAFSY-KRWDZBQOSA-N 451.545 0.842 30 20 JCED N#Cc1c(CCCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)nn(-c2ccc(F)cc2)c1N 25165826 GNQJLROGLKZIFI-RHSMWYFYSA-N 488.545 0.550 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 501168340 XTAZRMSWHRBVBC-UHFFFAOYSA-N 493.607 0.212 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(NC(C)=O)cc3)c2=O)cn1 522388728 UIIORXBNGYOIIZ-UHFFFAOYSA-N 480.550 0.339 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O 589161361 RSLFCXCIYXBVBG-GFCCVEGCSA-N 469.535 0.855 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O 608911011 CULOGIJSJRNWFC-UHFFFAOYSA-N 454.430 0.323 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c(Cl)c1 608911741 JYRYJLXPZDDOTE-UHFFFAOYSA-N 460.943 0.619 30 20 JCED N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 608912351 UROCCGKTTNMCJM-UHFFFAOYSA-N 462.487 0.308 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nc(-c4ncccn4)no3)CC2)cc1 609019295 IKSWPEJTHZCJQR-UHFFFAOYSA-N 453.484 0.864 30 20 JCED CCCCN(C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 769792310 HIVUCEVQJGRCFU-MRXNPFEDSA-N 471.557 0.196 30 20 JCED CCc1ccc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3cnn(C)c3)c2=O)cc1 839250490 JRBDRUHJNAXLQF-HNNXBMFYSA-N 451.552 0.849 30 20 JCED N#Cc1ccc(CSCC(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 917261904 CLDZGLCSJXTWMT-GOSISDBHSA-N 451.570 0.666 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1 1297739476 YAYXFGAHEHXIPD-KRWDZBQOSA-N 450.569 0.540 30 20 JCED CN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)Cc1ccccc1 1314864015 KBEBRMMUXDRMAY-UXHICEINSA-N 489.602 0.472 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCC(=O)N(C)C 1541673981 KMAZVNCWNLHVIO-UHFFFAOYSA-N 453.551 0.878 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1589405534 RTKBHFAUZVSFLU-STQMWFEESA-N 459.370 0.645 30 20 JCED C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1613010493 KTABXMYHOSCJND-IBGZPJMESA-N 466.590 0.748 30 20 JCED CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)c1=O 1695795581 UKKFKWZDUAEOJY-IBGZPJMESA-N 489.602 0.971 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1697715164 WOXXRKGHWKDTGU-HSZRJFAPSA-N 453.547 0.615 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CC(=O)NC2CCCCC2)C1 1712707548 YIDKJKVMBWLHPX-GOSISDBHSA-N 479.607 0.800 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1747544180 OAMYPFYNKTVJRD-QGZVFWFLSA-N 475.575 0.583 30 20 JCED CN(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1766904397 NWQUEZRGEBANMB-VQIMIIECSA-N 469.587 0.927 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(C)=O)CC1 1769845649 QPQQELUJBGIBJX-LJQANCHMSA-N 497.622 0.236 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1778969166 DSHYLFWRZHRGMZ-SEPYTNNBSA-N 468.595 0.632 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2 1779360000 LNBBHRWQKAKJAL-ZJSXRUAMSA-N 481.710 0.838 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780334487 LDJQQRWIMRVSIJ-FDDCHVKYSA-N 473.530 0.966 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1781047268 QNAYQSOCIYQREO-QCMGHPBJSA-N 453.536 0.382 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 1781197628 SWDNRDZKOKGHMV-IIBYNOLFSA-N 455.427 0.687 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc([N+](=O)[O-])c1Br)CCO2 1783562868 JPTSJOULLHNASO-SFHVURJKSA-N 466.244 0.889 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C1)C2 1783567890 GPBSUDVKHVIUFV-ZDPRRSKRSA-N 461.515 0.692 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1785577117 QCVMSUQZNAVQJN-UUOWRZLLSA-N 476.574 0.745 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1785596590 NAGKOYAZWZAJCL-MQNAVGNWSA-N 464.563 0.812 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1785728347 JIJKCQRLIUHZAE-UUOWRZLLSA-N 493.605 0.734 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788604187 TZOJBPVYNDCUGF-MTAPDOHYSA-N 495.621 0.714 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(N5CCN(C)CC5)CC4)[C@H]3C2)c1 1789806857 CULLRYMJIWVFAG-VJBMBRPKSA-N 481.597 0.940 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]2C1 1791143149 XZIKECSLCIZYMD-TUFLPTIASA-N 456.580 0.875 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1791843902 SCSRPZPRPWJFJY-ADVLRGOMSA-N 461.559 0.775 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1792146433 QNAATQSZZKWAEF-ZJOUEHCJSA-N 490.582 0.342 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1792148298 CEVKGYJEOBJHNK-LNLFQRSKSA-N 467.482 0.491 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Cn1cncn1)C2 1793597524 NFHOJAOKQVRZRA-QTMHVTGLSA-N 476.578 0.973 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793597648 QPVMTCYUSQKCQZ-XGUBFFRZSA-N 478.506 0.991 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1795597293 CIQXXCQZJYELFH-IZZQQSIFSA-N 462.572 0.575 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H](N)C(N)=O 1796078625 GSZWZLAVWVXVGJ-JJTUDDRGSA-N 451.568 0.687 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2)[C@@H]1SC(=N)NC1=O 1796421862 IJCFTOSJWKKVMG-HIHRSEIJSA-N 469.567 0.883 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1796443625 ULMUSESYALQZEI-SPFNZZPCSA-N 459.484 0.882 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NC=O 1800093053 YJXXLLDMKDFQJB-IECFSIQFSA-N 495.577 0.565 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(n3ccnc3)CCN(C(=O)OC(C)(C)C)C1)C2 1800455484 CKTAALVDDLVAFL-ZQYRFBGISA-N 457.531 0.442 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2)NC(=O)OC(C)(C)C 1801930906 YWYVUFHOVRMLRY-RVDAZCDBSA-N 496.605 0.587 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801982368 JFZLDDHSDIEJAL-YYIAUSFCSA-N 478.546 0.726 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)C=C)C2 1802125330 FMVKJPQJPVAJFB-LVEJAMMSSA-N 462.547 0.183 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1802141430 LSBBZJHECSVJFD-ZRZJEBPGSA-N 461.559 0.938 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1802482625 MLEBTORGQTYLAD-YYUNUBRSSA-N 498.565 0.411 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1803542228 CLGNAAGHTBVTEV-AKCHCHLHSA-N 471.539 0.591 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)ccc1F 1808551673 ZIFNWBMEVHSEGK-DKZVUGQWSA-N 478.484 0.939 30 20 JCED N#CC1(C(=O)N2CCCC3(CCN(C(=O)[C@H]4CSCN4C(=O)[C@@H]4CCC(=O)N4)CC3)C2)CC1 1809505379 PERSAYYGMLPCJC-DLBZAZTESA-N 473.599 0.701 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1810328279 WUHVKQJTMMJXHE-DYESRHJHSA-N 490.524 0.226 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810487672 FIRWAMADOFMRJG-ZFJBLLOBSA-N 472.506 0.186 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1cccnc1 1812875252 SSYKXFDCOMTXAV-UZUQRXQVSA-N 474.473 0.862 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821032510 MORBCYXTECXWHF-ISALQUGTSA-N 455.500 0.116 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)sc2C1 1826643857 LXGMILRTESXZPE-GRQQHNRBSA-N 485.570 0.384 30 20 JCED N=C(N)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828969842 RKJAFIISEOQPGL-XMMPIXPASA-N 466.542 0.335 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828972133 IQZUWQTYCQTEHS-JKNZDCDFSA-N 451.568 0.728 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)COCCO)CCN3C(=O)OCc3ccccc3)C2)CC1 1829227994 PHMBDHVRGXCJQS-DEOSSOPVSA-N 470.526 0.751 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330469 HLZRKFPPEOONEN-XDHUDOTRSA-N 484.509 0.038 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)cc1 1829632638 XEKCFWGJSWPIPU-HSZRJFAPSA-N 467.482 0.462 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)cc1 1829900978 ULPRFIVUIXHKAI-HSZRJFAPSA-N 465.466 0.359 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1 1830182589 NGUVQITWDJXVDF-JOCHJYFZSA-N 461.540 0.854 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cc1 1830218663 YXGPVDKQZAKYJM-UXMAWFNJSA-N 471.510 0.897 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1830638297 LLGQQYFTZOPMAW-QFIPXVFZSA-N 478.571 0.677 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830886732 ZRTRIVYTBGOCMD-BSRJHKFKSA-N 469.579 0.931 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2)C1 1831325140 WYGFGZYLUVMWKP-LAUBAEHRSA-N 459.609 0.763 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831388049 PKUWVGBQBMFNJQ-KOSHJBKYSA-N 477.558 0.658 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1831393280 VSNDWGOXROPNSP-WHSBFGAESA-N 485.581 0.382 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1831396095 HTGMZEIRYDGAKM-YCRPNKLZSA-N 453.442 0.352 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1831998833 MFLFYUOPRBRBET-YADARESESA-N 489.573 0.945 30 20 JCED COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1F 1833485165 ZVKPCTBHBGHVAH-ZGOGOCENSA-N 480.493 0.828 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CC(N)=O)CC2)CC1 1833522731 AZVCCDQEGOZEJG-YLJYHZDGSA-N 491.633 0.986 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833600188 SJKMEFYFTXLUOZ-GCJKJVERSA-N 481.571 0.128 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncnn1C)CCO2)c1ccc(O)cc1 1833846645 RRADDLXKNHIKHL-YADARESESA-N 467.526 0.788 30 20 JCED Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1834087562 QMELXJWZYPAIDN-HSZRJFAPSA-N 451.483 0.806 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)[C@H]4CCC(=O)N4)CC3)CC2)c(C#N)c1 1834589598 INEFDPZDDZZEKV-JOCHJYFZSA-N 467.570 0.960 30 20 JCED C=CC[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1)NC(=O)OC(C)(C)C 1834679892 UTHFPBKHFHFSDL-SFHVURJKSA-N 493.653 0.901 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836687411 KRGRJXRYWQCUST-RDGATRHJSA-N 455.555 0.757 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836811440 QZGZJYZVDQCOBF-UZLDXKMBSA-N 472.502 0.557 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837138309 YCFMYRMUKOOJLO-MZNJEOGPSA-N 471.510 0.465 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1837396468 HOWCZJNPEXYOGG-NBGIEHNGSA-N 486.569 0.370 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1837439658 ZSUVDMFHDDZHDW-BZLIYVJTSA-N 465.938 0.982 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440787 YCNVLDSBEPOTKS-GUUZLSKKSA-N 493.605 0.924 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524866 ICMVGOKXLMBZTO-VKQHQMNQSA-N 452.552 0.456 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562522 MKTBDBIDDUZQHV-OIJNNNCDSA-N 494.545 0.041 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837564306 GXMXUOMBLFTGJX-ZHIQAQTNSA-N 485.541 0.455 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C)CCO2)C1 1838220603 JDVCIVAIASFBJP-KOSHJBKYSA-N 487.557 0.772 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838567511 AKPJQMWITTWLQM-WMZHIEFXSA-N 480.583 0.860 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838763009 YBSGVTUFBSQMDO-LRDDRELGSA-N 451.471 0.848 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)N1CCN(C)CC1 1839103118 FRBHHRQOUDWWFX-CPJSRVTESA-N 469.586 0.459 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)c1 1839103684 UZTNGSIUPQYHNY-NLFFAJNJSA-N 469.586 0.573 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1839174941 FUERJHORXDRXQO-QFIPXVFZSA-N 463.487 0.817 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1839223579 ABSDJXXOXPTPHC-JPYJTQIMSA-N 495.598 0.890 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)c(O)c1)CCO2 1839329289 IUOWCEYXHVGTJI-LJQANCHMSA-N 467.272 0.313 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)Cc3ccccc3)CCO2)C1 1839958244 YQFWUPISMUFQSZ-RDPSFJRHSA-N 458.559 0.328 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1)c1ccc(O)cc1 1840222029 ABXMKHJVUQBLNY-RLWLMLJZSA-N 494.548 0.603 30 20 JCED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819410 JNGRYAXYLCDKTH-QHCPKHFHSA-N 458.515 0.166 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1840908346 JQJARJWJIFZYJH-YADARESESA-N 480.606 0.700 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1840913545 FNBGISYJYMHYEW-UOKFIYJESA-N 477.558 0.891 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](COC)NC(C)=O)C1 1844383491 IZFDQXMTKQBZSF-IRXDYDNUSA-N 452.552 0.810 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1 1845998538 BRLBQVKPWURBLF-HZPDHXFCSA-N 493.561 0.131 30 20 JCED CC(=O)N1CCC[C@@H](C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)C1 10752306 KELMXJZZGDMYKG-OAHLLOKOSA-N 450.517 0.897 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 482933087 OCJCKBBKAAMPDZ-UHFFFAOYSA-N 459.503 0.759 30 20 JCED N#Cc1ccc(N2CCN(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)CC2)nc1 497463333 CMGYJWFRZJOOSR-QFIPXVFZSA-N 476.537 0.586 30 20 JCED N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC2)nc1 518347588 YTGCHGKWPISKMG-UHFFFAOYSA-N 484.586 0.332 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(F)c2F)c1=O 553208775 BONSLERSGUKPLV-UHFFFAOYSA-N 476.549 0.940 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCS(C)(=O)=O 729673309 YDHXCICNNDAAJD-UHFFFAOYSA-N 479.628 0.181 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 746482483 AEPWNHVRUYMUQN-UHFFFAOYSA-N 485.562 0.507 30 20 JCED COCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918406782 KNUWTVGMWHCXNR-NCELDCMTSA-N 493.586 0.439 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 918609772 AUQVVJOMANKGLM-LFVJCYFKSA-N 487.542 0.275 30 20 JCED C=C(Br)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 921130288 DSDBOCZSHUJFQI-UHFFFAOYSA-N 475.365 0.595 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccsc1)N(C)C 1303866542 IYWSBZKMNXYTHO-NUEKZKHPSA-N 453.594 0.981 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)CC2=O)cc1 1318070027 XYLNFJPKPVDGTR-QGZVFWFLSA-N 453.524 0.907 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C1CCCCC1 1359474717 WISDIYCTIDUZKM-WMZOPIPTSA-N 481.623 0.998 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 1508278276 HERZICUUKFYZNG-QGZVFWFLSA-N 450.547 0.648 30 20 JCED COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1555575086 KZKMMMSKLQMJGC-ICSRJNTNSA-N 465.514 0.952 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1593808585 RYNHLPCGPYEPFI-INIZCTEOSA-N 474.031 0.775 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 1624676759 RHBWQZALYKLPBU-CQSZACIVSA-N 450.542 0.792 30 20 JCED N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)nc1 1636787304 ZJPALFWOCVCVRZ-NVXWUHKLSA-N 450.904 0.926 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCC(O)CC1 1706880343 RZRHRKIHHXGJIU-UZLBHIALSA-N 453.613 0.865 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCO[C@H]1C 1723612283 KSCMGVYUZKUOIO-KSFYIVLOSA-N 454.535 0.549 30 20 JCED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(=O)(=O)c2ccccc2)C1 1750378750 LXIXAQOTGVCHFF-DNVCBOLYSA-N 482.563 0.601 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)CC1 1765636058 WEWWIEMBCXCUAG-HSZRJFAPSA-N 453.547 0.880 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1768463791 VNAMQTFEECWLEQ-QGZVFWFLSA-N 452.519 0.857 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020178 HWQUCBRDVSWOHH-QFAGGNDHSA-N 493.605 0.658 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1779354763 NXTFIJYDCWMQRH-RMUOZIPVSA-N 450.442 0.545 30 20 JCED C[C@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779500029 VUAKLDYSMKMLCN-ROGHMJRLSA-N 462.551 0.957 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(C)=O)CC1)C2 1780738071 PUDFOFGRGQZOHJ-HYBUGGRVSA-N 478.590 0.174 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)N1CCN(C)CC1 1781093796 AQOFUVOBFAYJIA-MHECFPHRSA-N 457.550 0.706 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1781392931 GCGPKHAUYYDWBV-FYNLTWRRSA-N 474.558 0.797 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1782847671 ALGFPRMYRXFZJJ-KZWLVQJTSA-N 499.568 0.311 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C1)C2 1782852217 UTQLRZUAAOOHOW-UUOWRZLLSA-N 454.527 0.866 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1I 1783563235 YSNZIMZURYFFBU-KRWDZBQOSA-N 486.266 0.108 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783601709 CTNICMVLRVLNMW-WOGXIUBCSA-N 497.589 0.846 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784343972 VKQGKWRGSAVILV-VGSWGCGISA-N 460.535 0.415 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788194757 VITVQMHEXFAMHR-BURNTYAHSA-N 491.633 0.130 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=S)NC)[C@H]2C1 1788616005 XIZWFVBTYFRDQA-XSLAGTTESA-N 495.646 0.367 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCCS4(=O)=O)[C@H]3C2)c(C#N)c1 1790748884 DOZUPTTVDAYBSG-LRGNLBRXSA-N 475.567 0.666 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn(C)c(CC)c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c1[nH]nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)c1I 1796349392 GNPWEFQTBVWWGF-JGPRNRPPSA-N 470.267 0.917 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(=O)OC(C)(C)C 1796395378 YCUUCRBGKBAHLC-ZMMAXQRCSA-N 483.562 0.625 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1799232397 FLNDQBMOZHKGCZ-YYIAUSFCSA-N 460.535 0.705 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)N(C(=O)OC(C)(C)C)C1 1801101857 FPFUTYPPBXEJDM-ZMMAXQRCSA-N 478.546 0.594 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1810332146 SVHKOTFPJXFJIT-GCJKJVERSA-N 467.526 0.338 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810564837 DZQXFJIMGXFACF-FUPPJEDESA-N 470.570 0.937 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816673922 KBMKLWKZWKHMQI-VHSXEESVSA-N 459.492 0.296 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)n(C)c1=O 1825105730 YTSOEZYZNVDQPE-GOSISDBHSA-N 495.584 0.747 30 20 JCED Cc1cn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC3)c(=O)nc1O 1827994600 OXZBPMWJICXDJJ-GFCCVEGCSA-N 453.484 0.840 30 20 JCED CC[C@H](C)[C@H](N)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332487 NRRKNEJTYJQBDD-PZGSVQSZSA-N 484.553 0.900 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(Cl)ccn34)C2)C1 1829765321 UZUWSQVNRMCKAQ-XXGSHBOYSA-N 487.944 0.916 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1830641168 RWFMRVXYKOCTLF-DEOSSOPVSA-N 467.526 0.928 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831187693 GYDLEDZADYOKNL-QMHKHESXSA-N 458.515 0.552 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1831397872 YXPFQGJOESLECP-GAJHUEQPSA-N 461.490 0.649 30 20 JCED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)no1 1832931732 ZGTPKSJGRAPJNP-QFIPXVFZSA-N 457.462 0.630 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncnn1C)CCO2)NC(=O)OC(C)(C)C 1833848062 VBFZYACBOWFOOP-SBUREZEXSA-N 492.577 0.745 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC)CCO2)C1 1834974501 GLHDCNLQWXOLRL-HTAPYJJXSA-N 455.552 0.949 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1835680783 OABDFUBAIOPOGH-QHCPKHFHSA-N 499.528 0.823 30 20 JCED CC(=O)Nc1ccccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681038 NPWHTTOKLXIDGT-DEOSSOPVSA-N 471.558 0.997 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1835682919 YCUISOIYVUADPG-QHCPKHFHSA-N 454.531 0.686 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)n3nc(C)ccc3=O)CC2)CC1 1835812924 UVEOQKXFSMRMPZ-CLFYSBASSA-N 498.628 0.717 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CNC(=O)O4)CC3)CC2)c1 1836123016 QHRRRSONLBOBNP-FQEVSTJZSA-N 455.515 0.860 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1837310124 MIKRYTLAIAMLPQ-ZJSXRUAMSA-N 460.619 0.991 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)cc1 1837313608 ALHXFMHNNNTBGA-FQEVSTJZSA-N 469.416 0.663 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1837396843 NSVZDCFPCYGHLO-OPAMFIHVSA-N 478.502 0.642 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1837403870 UQIGOCMIRYXVHY-CVDCTZTESA-N 466.575 0.949 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)ncc1[N+](=O)[O-] 1837443298 DBAGAYMYBQAFMK-YGPNGPECSA-N 474.518 0.840 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492789 TZWUXYHGTFEKEV-FNZWTVRRSA-N 498.580 0.355 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1837496145 FMQGISHAFSHTRX-QFIPXVFZSA-N 495.623 0.002 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837524240 CXPQOQNJMAYNFR-VHZQKOCRSA-N 489.529 0.639 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)s1 1837526859 GUCWALLCRWLKEY-KVQDXKSSSA-N 467.548 0.374 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837532887 HXZJMXHRJMHXEV-GMSRIDPHSA-N 498.577 0.887 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCCn1cccc1)CCO2 1837617817 QEFYYVFCTWEHHE-XXXZYALBSA-N 458.559 0.973 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838773907 DEAAHZBVNSQFTF-QFIPXVFZSA-N 487.528 0.960 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(c3cc(NC4CC4)ncn3)C1)CCO2 1839038768 BIWLKKSGRDLJDP-HOYKHHGWSA-N 468.558 0.357 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1839136548 YWFKHJTWOAFGJE-KOSHJBKYSA-N 495.573 0.703 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)ccc1F 1839186624 GDWZOQDSSGNQIT-QHCPKHFHSA-N 454.458 0.643 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839422470 WJJWVQLMUDEUPG-FCHUYYIVSA-N 463.462 0.383 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810846 VELKASAICLWXBE-DSPLJNTKSA-N 461.559 0.969 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)cc1F)CCO2 1839977663 ODVSUDQDFICYRM-UZQCKINESA-N 463.481 0.822 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840039184 KHGLISDUGXBOOP-HXOBKFHXSA-N 479.530 0.178 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1840055288 NPPWAUKELDNOFK-KOSHJBKYSA-N 495.573 0.703 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840060164 GDCIRLMWZZNWNV-YDIMBITNSA-N 477.558 0.227 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1840108118 IVGXOWWJLLRADG-YVHKJVDXSA-N 454.568 0.507 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c1 1840447483 KATYSEOXKDURBE-QFIPXVFZSA-N 454.487 0.319 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840484466 RJRPKJCRIQUTPO-DEOSSOPVSA-N 466.494 0.615 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c1 1840712252 BPTIJNAQEUTLQW-CJAUYULYSA-N 480.521 0.699 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840799608 FIENXWKYOITQKG-CPJSRVTESA-N 473.570 0.836 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840861385 XCSYXSMAHWOMLQ-DNQXCXABSA-N 493.557 0.568 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1840906472 CMUIROQZUYBJPA-GAJHUEQPSA-N 475.546 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1840907161 PUWXBSDZWBXNNU-XFAGBWLFSA-N 481.590 0.766 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)[nH]n3)C2)C1 1840909481 UCBWZGNOLWDEEX-MHECFPHRSA-N 489.573 0.959 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1840912350 DNZZAHOERLIGFL-PUZWTLIVSA-N 489.573 0.960 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1841053208 YFZRVPUEUDAWAQ-XITLMJRVSA-N 450.536 0.324 30 20 JCED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842921018 CCKAGRDFHPAYBJ-UHFFFAOYSA-N 454.568 0.168 30 20 JCED CN(CC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 25506730 ZTYKTPVNFCQLGB-UHFFFAOYSA-N 461.588 0.726 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C1=O 521476050 HHYMFBZTJVLWJZ-UHFFFAOYSA-N 452.464 0.072 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)c3ccc4c(c3)OCO4)sc(=Cc3ccnn3C)c2=O)cn1 523180712 CZAGTGIEMPJPIU-UHFFFAOYSA-N 474.502 0.964 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O 524282025 MMXCYJWRSNJYRA-UHFFFAOYSA-N 484.550 0.157 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCNS(C)(=O)=O 589160570 JEJGAEIZWNNYOI-UHFFFAOYSA-N 475.592 0.512 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 603792687 BBBLPWPRZFQPFS-UHFFFAOYSA-N 466.563 0.550 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2Cl)c1=O 603796783 OZIIGWSCFGUSLG-UHFFFAOYSA-N 460.987 0.925 30 20 JCED CS(=O)(=O)c1ccc(NC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 800755400 CCIXGSMRNTWXKP-UHFFFAOYSA-N 465.509 0.701 30 20 JCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914652070 TYPFPAMLHMBAEJ-WMZOPIPTSA-N 477.539 0.911 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)NC(C)(C)C 914764804 OQRSDFTTYMNDIW-HNNXBMFYSA-N 458.606 0.974 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 918296596 CNBJZQDKNWICKT-VUSLFOADSA-N 491.570 0.288 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C1CCN(C)CC1 920397529 LREKTSHIAMQBEV-INIZCTEOSA-N 486.642 0.782 30 20 JCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 920604984 MGRRRAWCSBJSOJ-UHFFFAOYSA-N 484.513 0.698 30 20 JCED CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C[C@H]1OC 1302419223 MUOKGIHJOAOPJC-KDURUIRLSA-N 470.530 0.861 30 20 JCED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c(=O)n1C 1542392910 UGTRUESNNCORSS-WBVHZDCISA-N 463.564 0.405 30 20 JCED Cc1nccn1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1542977838 ZEKYIKDLAWKIPO-APWZRJJASA-N 466.543 0.648 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCO[C@H](C)C1 1545094764 ZMHNRXXQDVPZOM-IKGGRYGDSA-N 455.585 0.118 30 20 JCED CN(C)CCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1552868176 VROCBWUFBZRWOJ-RTBURBONSA-N 465.624 0.183 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C1 1741983402 JUTIVXRGXPQINE-UGSOOPFHSA-N 475.522 0.122 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(C)cc(C#N)c2)CCO3)CC1 1778357407 XGZMOKUSBOENSZ-XMMPIXPASA-N 453.543 0.474 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1779064331 GEADYRVYVZYZIZ-DEOSSOPVSA-N 489.594 0.768 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780935028 HNJLQOLFSOVGMV-OXQOHEQNSA-N 452.602 0.676 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781970833 FMIFGKFDEZSERN-UZLBHIALSA-N 450.879 0.720 30 20 JCED CC(=O)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1783192408 XFLBAXKOIPZCSN-VGSWGCGISA-N 486.635 0.944 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)C(C)(C)O 1783276141 NABYIZQAYUUQFJ-OMXJDXKCSA-N 481.546 0.253 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1783603786 VDZCZNLBBQXVOH-LAPQFRIASA-N 459.565 0.591 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785633213 JKZHEZCUCLWHKX-ZWOKBUDYSA-N 452.467 0.630 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787500841 SVLJUYZQAAOYBC-QNHTTWNFSA-N 455.540 0.954 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C[C@@H](F)C1 1788171746 LFVDHEBETUDWTP-JCECYMMASA-N 481.521 0.649 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCCNC5=O)[C@H]3C2)cc1 1788255153 HWMFOOKCOZHTCO-IPJJNNNSSA-N 476.537 0.724 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cncn3)[C@H]2C1 1791618813 KXTZSRVEHPCCCQ-FKSLSLAPSA-N 474.562 0.735 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792281393 FUMAAJNJHUHENZ-JONQDZQNSA-N 453.540 0.104 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792557987 HVXDRXCREHVQNE-XCRNZQRYSA-N 462.510 0.299 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792829397 FWZPRZUYCFIULM-IIZPIQPGSA-N 486.569 0.966 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1793347517 FHQJYFFCRWXBDW-CBNQQXHVSA-N 472.542 0.250 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794082817 RULWKUULTQXHJX-QKPAOTATSA-N 463.535 0.646 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)c2n1 1795413129 PSJWNOSQYYDYOT-MIFYACCESA-N 496.528 0.020 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)c1 1795930208 POLODRZKEUUAEJ-CCWDJLKJSA-N 485.522 0.235 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCN(C(=O)OC(C)(C)C)C2 1795930744 IWHMSRIUTHARRX-CWPLJXCYSA-N 457.531 0.860 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H](N)C(N)=O 1796083567 BJVAECGVOVEBLH-COIIOYCMSA-N 463.579 0.687 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1797838281 REUKKUJRGKNJBA-MDGYCRGSSA-N 469.494 0.751 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)c(C#N)c1 1800284069 RMOQFBXXLCKGFX-FEJSZKPUSA-N 495.492 0.469 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)OC)CC1 1800559730 XGMKIQMFSMRTIE-NGIPEHDUSA-N 477.558 0.999 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1800741271 TWNLRFAQBWUZBT-RPXQCPFCSA-N 461.515 0.311 30 20 JCED CC(C)C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)NC(=O)OC(C)(C)C 1800773924 LRCPRUHLJHBSTI-DLRJPAPCSA-N 465.547 0.994 30 20 JCED COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800906543 UYLRMUATLFJUPM-LXTVHRRPSA-N 475.608 0.797 30 20 JCED COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1801205338 BVPIIJGHQJITCD-OCVGTWLNSA-N 488.607 0.534 30 20 JCED O=C(CCNC(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801951714 RVNNCLLHERZPMT-GQRODGCISA-N 472.542 0.925 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCC)cn1)C2 1802125417 XDBGUZGTKDVDKB-AXVVYFOYSA-N 487.557 0.995 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1802140909 VULZNZYGBMDWSX-AYYYJTJGSA-N 462.547 0.182 30 20 JCED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2)c1ccc(O)cc1 1802428165 AZNGRDGEJYTXDG-YUMYIRISSA-N 457.571 0.814 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1804346311 MRIFMGIJLVUOBL-NFRMJTHCSA-N 472.502 0.215 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807026259 SBKGXWCDHOWVDP-LPHOPBHVSA-N 468.447 0.322 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807055542 MMXKSPJTQZNVMG-SELNLUPBSA-N 464.526 0.631 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c(C#N)c1 1810352710 YUFGJFXUPUAIQK-PSUQPPDWSA-N 493.564 0.861 30 20 JCED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2c2cccnc2)c(=O)nc1O 1810363015 DLQGYEOVIBMJAM-BXHLGYQSSA-N 498.540 0.887 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cn3[nH]cnc(=O)c3c2C)[C@@H]1c1cccnc1 1811305808 WPTUADWHCDIWRA-YRTIDYAOSA-N 489.536 0.904 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)ccc1F 1812716662 CXNHHTPFNHPNRD-NLFFAJNJSA-N 483.544 0.627 30 20 JCED CN1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=N/O[C@@H]4CCCCO4)sc3C2)CC1 1819902988 WDUDTMACXOPNGE-REAROLJNSA-N 464.592 0.832 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1829265910 JXTWITJMHBSCRR-QHCPKHFHSA-N 452.467 0.866 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1829764721 TUVGIQGVHGKFKJ-CNXHMKESSA-N 498.536 0.299 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1829765055 FMOIUXXQLHUJSN-HZQHCPKGSA-N 454.430 0.541 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1829771133 HIFFFEWYPKXXMP-WEHRJKGCSA-N 452.511 0.681 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352971 XKLAPDHSGSKLOV-KLGLLFHNSA-N 473.570 0.834 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1830425561 KSNMHOLVEKKCBR-VWLOTQADSA-N 484.553 0.773 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456041 CPORJQVTQQBIMR-HOYKHHGWSA-N 456.543 0.862 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F)CCO2 1831135906 PXZXGPAKSSQOQB-YVHKJVDXSA-N 453.511 0.671 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831330849 WJUNIZQEFVJTAA-VGSWGCGISA-N 478.571 0.265 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1831421632 NEFJTOIOKZXDJL-VGOFRKELSA-N 481.571 0.287 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1831758738 OAPMGNDJSLQAAQ-ZHRRBRCNSA-N 463.535 0.949 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832004853 QFSVZRZFJDYLLB-GLDPYIMESA-N 497.589 0.670 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832356863 HVRFHZSGMKJWCT-KDRRHJTCSA-N 489.617 0.706 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1832692597 XXNIYLZKQFSXID-VGSWGCGISA-N 478.622 0.092 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)CC)CC2)CC1 1833421812 MINMNPFVMCBMPU-KRWDZBQOSA-N 450.580 0.982 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)COC)CCO2)C1)NC(=O)OC(C)(C)C 1834977374 HPPNVMPDWZFORP-HTAPYJJXSA-N 455.552 0.949 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1835184656 GGCIAIARFOGHRD-OXQOHEQNSA-N 456.586 0.543 30 20 JCED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(=O)OC(C)(C)C 1835210003 CVEOHOISHQBUFK-HSZRJFAPSA-N 481.594 0.592 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)[C@@H](O)C1 1835339431 MQABHHTXLREZQT-XFAGBWLFSA-N 492.573 0.364 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348313 VOJCJSZYLOTVPH-WAIKUNEKSA-N 476.530 0.673 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CN)CCO2)NC(=O)OC(C)(C)C 1835536061 KHWDPBXBILJFFY-IEGUWTFLSA-N 468.595 0.897 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n(-c2cccc(=O)n2C)n1 1836259408 AFYKFPGHGWHBLT-ZHRRBRCNSA-N 475.571 0.268 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@@H](C)O1)CCO2 1836612122 WPKJIASPMAJESS-NRAIQUKZSA-N 479.574 0.927 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1837122664 RREWFQGUBNXQNI-PONPZLSQSA-N 471.514 0.933 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1837398903 KVHDCGZJLPVJRN-GCJKJVERSA-N 466.604 0.981 30 20 JCED CCOC(CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)OCC 1837493359 AQOMCGJSLNIIIE-DEOSSOPVSA-N 466.575 0.931 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)C1(O)CCC1 1837525860 QGFGVBADFCXUBM-DYHJMRMTSA-N 453.536 0.523 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1837529920 GXOCDFLWLNPQNA-IRCLMUFRSA-N 492.485 0.899 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837564573 YBOCKEKEYWCOPH-DQKMJRQOSA-N 462.503 0.684 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)CC#N)CC3)CC2)C(=O)C1 1837638030 PLARVYGQFGSCDY-UHFFFAOYSA-N 491.589 0.978 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1Cl 1838328456 KXHZPRIOIUNDHF-JOCHJYFZSA-N 484.900 0.484 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5nncn5c4)C3)C2)c1 1838582645 XNIXKSHXKGCUDT-XMMPIXPASA-N 476.493 0.993 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CN(Cc5ccccc5)CCO4)C3)C2)c1 1838736972 DGEZWMOOLPOFKD-BVAGGSTKSA-N 493.564 0.857 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2 1839139927 ZTRYFQKLGCPUIG-QFIPXVFZSA-N 453.536 0.398 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1839173892 SCVWTPRRYVNJDJ-HSZRJFAPSA-N 456.499 0.914 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839379118 UMTXIOSBXJXWQS-JPYJTQIMSA-N 455.515 0.928 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCc5cnc[nH]5)C4)C3)c2c1 1839487605 OUAIFTCKSSVMPD-HSZRJFAPSA-N 463.498 0.860 30 20 JCED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)cccc1=O 1839487730 VFNFXWJGMUMSCZ-DEOSSOPVSA-N 476.493 0.517 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc5c(c4)CCNCC5)CCO3)C2)CCC1 1839694745 SKOSVQHFFDVNLS-DEOSSOPVSA-N 453.543 0.534 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3I)C2)C1 1839809165 HFIDQJDAMJGWBY-SFHVURJKSA-N 499.261 0.903 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(I)c(O)cc3O)C2)C1 1839809566 XTJUILRTSXIMEH-SFHVURJKSA-N 486.262 0.406 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)Cc3ccccc3)CCO2)C1 1839958242 YQFWUPISMUFQSZ-GBXCKJPGSA-N 458.559 0.328 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1840044395 VTUUSISQXSYAEH-GAJHUEQPSA-N 477.514 0.096 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840075949 LKGIAEYMDRMZOT-KNQAVFIVSA-N 458.552 0.104 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)C1 1840145538 JSTDCDKJAQPJNM-GLDPYIMESA-N 478.590 0.704 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1840164291 FCKJIIWKFWLCCE-QTTDFFODSA-N 469.604 0.874 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)n1cnnn1 1840474619 YCLRYBQFORASBX-VGOFRKELSA-N 453.503 0.195 30 20 JCED Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840493357 WPENVKUZJHRQIF-NAKOXXRASA-N 463.535 0.738 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)cc1C#N 1840763932 ZPONQBRRWPBYFE-RUZDIDTESA-N 495.536 0.672 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CCN2C(=O)OCc2ccccc2)C1 1843846404 WGIVQZQNHFCSRO-MOPGFXCFSA-N 469.494 0.440 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3OC)c(=O)n2C2CCN(C)CC2)CC1 516832232 ZTZWMPKFELFJHH-UHFFFAOYSA-N 495.649 0.852 30 20 JCED CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 518215308 MXFIQUVRHNVJQS-KRWDZBQOSA-N 454.574 0.453 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 519493417 WURPFTWXRVWLEV-QGZVFWFLSA-N 464.544 0.671 30 20 JCED CCOc1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1OCC 521346071 ZUCKKBCLJASMOX-UHFFFAOYSA-N 477.543 0.264 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828599 CPORQIBEWNFDIS-UHFFFAOYSA-N 498.561 0.526 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H](C)c1cccs1 608829823 MLCQSCGZLSNEOE-KGLIPLIRSA-N 457.581 0.968 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O 727160346 BQYISPYROBTIFD-UHFFFAOYSA-N 462.535 0.271 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(-n4cnnn4)cc3Cl)CC2)o1 729728287 OYTBLWARSMLUDK-UHFFFAOYSA-N 456.850 0.989 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 769644450 VFLCDBJLKFLLGK-HNNXBMFYSA-N 474.495 0.346 30 20 JCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 838163932 TUPXCVSTDIIESN-UHFFFAOYSA-N 475.567 0.857 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(NC(C)=O)c1 913151324 ACTLVXVSHHNNMW-UHFFFAOYSA-N 450.524 0.620 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3cccs3)CC2)o1 915392319 OSHMCVMWMLRTKC-UHFFFAOYSA-N 453.502 0.087 30 20 JCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCNc3ncccc3C#N)c2)CC1 915785230 VCCKRFXXXFFXAD-UHFFFAOYSA-N 485.570 0.446 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC(=O)N1C 1494468796 OAQXZDFFCSCMMD-OAHLLOKOSA-N 458.544 0.973 30 20 JCED COC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCC(C)CC1 1517939699 YBNXNTVLYWDDNI-KQNFGGRRSA-N 482.607 0.935 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1F 1541116362 NWZULRKSFRWLRO-GDBMZVCRSA-N 467.527 0.820 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1547746453 MATMDCVKCUWFMW-QGZVFWFLSA-N 482.593 0.632 30 20 JCED COC[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555226521 JAFBTEAELKCKMF-HOTGVXAUSA-N 462.580 0.764 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1697700970 RCDWBBKRSWLNOR-WCXIOVBPSA-N 456.569 0.401 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 1706050668 YZVQWPGPVLTGML-AZUAARDMSA-N 487.586 0.440 30 20 JCED C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740814389 WNMNAUAPRFVANB-UHFFFAOYSA-N 451.959 0.134 30 20 JCED CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1 1747385939 KPBJANZSULLHSJ-UHFFFAOYSA-N 466.589 0.769 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1747435604 KCIWNYBETHQWRU-JOCHJYFZSA-N 473.603 0.791 30 20 JCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2cc(Br)cn2)CCO1 1770748863 SNWABYQBNJPFHW-HIFRSBDPSA-N 484.380 0.958 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CC1 1778351630 HHBSHQWWWUUHER-XMMPIXPASA-N 453.543 0.095 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CN)CCO2)C1 1778921319 LPPUDJJDCVOUFP-QZMQVMSPSA-N 497.593 0.217 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1)NC(=O)OC(C)(C)C 1779097898 ACIMSSHQLJVFJH-FPGHNAPASA-N 496.605 0.326 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1780739456 KEDPIUOAXPTPDJ-ZXHZAXBBSA-N 480.587 0.812 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781090138 LMAZGKVLXGSFIF-RNHFSVANSA-N 493.649 0.922 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1781115213 QYHDTYGBBZPMSJ-HBQQFOHPSA-N 493.605 0.516 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1781165349 JUQRBKWOLSJHOX-HTAPYJJXSA-N 485.603 0.558 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccn(C)c2=O)CCO3)c(C#N)c1 1781171144 JQNOOPJGSWXBAB-XMMPIXPASA-N 450.495 0.952 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3c(C)cccc3C)C2)C1 1781234331 ZNZYQKLTWKPPEO-HMLKYZKVSA-N 454.527 0.930 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)C1 1781269316 KJJPCZUUAFPWHX-XMMPIXPASA-N 470.526 0.679 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)ccc1F 1781300022 HNUMCJZKFBLCQX-XMMPIXPASA-N 480.500 0.714 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1781310867 WCBHWIGNIADZEW-JPYJTQIMSA-N 472.546 0.170 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1781389970 AWMRNDLKKGMNAT-MGPUTAFESA-N 452.533 0.730 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1783166546 HZIVPGIUGUFDGQ-MFEFFIJZSA-N 464.563 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C[C@@H]21 1783531777 VTUQOFDXFBKWKG-IVENPTRMSA-N 482.537 0.858 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@@H](C(=O)N1CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C1)C2 1783566143 ZEJCFNXUOHLOOH-VXEMUYFQSA-N 475.542 0.940 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567448 PNMHNOKKYUZJIP-NPGKMWDHSA-N 491.541 0.176 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783769199 OADMXJVJRVJHLA-UMEGOILYSA-N 493.649 0.922 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1784042121 AIHFJZLAFOQXTD-QQMNAOGKSA-N 462.547 0.259 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1784518866 FBIQFBLGENLNOS-CJCBUOBESA-N 473.555 0.709 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)[C@H]2C1 1784941163 KEXBIZQNDQDYOE-MLNNCEHLSA-N 453.539 0.966 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2)NC(=O)OC(C)(C)C 1785308299 YOBSWHNGIROBMF-FPGHNAPASA-N 496.605 0.326 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1785376704 UCRGIATYGMSUMI-QHCPKHFHSA-N 452.467 0.082 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1785573006 UTPGWYPOMUVKJA-OPAMFIHVSA-N 483.587 0.639 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn(-c4cccnc4)c3)[C@H]2C1 1785724291 LNGPDBJQCKWBCC-IZBKYFJTSA-N 464.526 0.719 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(OC)ccc3[N+](=O)[O-])[C@H]2C1 1787751137 NSOKEFXLFBJKEA-VFTRRRMRSA-N 473.486 0.450 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1788470905 AZZNUXMHNTYRDZ-SXTKRDDTSA-N 474.514 0.154 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21 1788573387 VPTMJGBNBGMWDV-VMXHOPILSA-N 454.520 0.034 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631207 BUJKNRSZHSUHOY-CMOCDZPBSA-N 454.571 0.630 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1)N1CCN(C)CC1 1788637680 MZGVRCTVYVWPNQ-CMOCDZPBSA-N 460.619 0.301 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788659304 XQSJTVXERLIQTR-WZNDWBOKSA-N 460.535 0.786 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnncc4C(=O)O)C[C@@H]32)c(C#N)c1 1789841541 USYXOOFALOMFFO-JHVJFLLYSA-N 479.493 0.891 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789935118 CUAAQEIWWIZEKN-LFDJNIOPSA-N 469.579 0.833 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21)C(C)C 1789949930 OXVKKPWBHKNWHO-UGCZWRCOSA-N 498.646 0.656 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789956997 AVWCMWUCMTVMCU-TUFLPTIASA-N 487.594 0.463 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1791143168 ZSXRKTXXLQOIPJ-VABKMULXSA-N 489.569 0.848 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCOCCOCCOCCOC)C3)C1 1792441442 LTXMGEOOYIUYSZ-VTYHHJSWSA-N 454.564 0.629 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)NC(=O)NCC)C3)c(O)n1 1794491250 WDGXVJINLBTVCI-OAFZBRQQSA-N 459.547 0.817 30 20 JCED COC(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cc1 1795602521 QYVZYHAFJXGQHB-CEQLMSFQSA-N 456.543 0.887 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSCC(=O)O)C3)c(C(F)(F)F)n1 1795997469 PIWTUFPTJFQOEI-CULMDFNYSA-N 472.445 0.993 30 20 JCED Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)COc3ccccc3C#N)C4)c(C)n2n1 1796925526 PYGDFBSKKZXQHF-FEJSZKPUSA-N 475.509 0.895 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)N2CCOCC2)cc(C(F)(F)F)c1 1797809330 FXPDRQQFRGELEF-VWFIUDSGSA-N 482.459 0.431 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1ccccc1C(=O)OCCO 1798565475 KMABBMFUWNKZEE-MDGYCRGSSA-N 469.494 0.751 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)CO1 1799145585 ZHLVAETXYMEOHW-IVSAIRAKSA-N 457.474 0.480 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O 1800542219 VMELQQOBMPSYPK-ZMMAXQRCSA-N 450.536 0.019 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3c(C(F)(F)F)cccc3n1)C2 1800779839 ZHCIFAAMLLJQDL-KSPBDQMDSA-N 450.373 0.644 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2)c1ccc(O)cc1 1801054235 SRBDIVAOIHOUJQ-RZUKHUMYSA-N 457.527 0.542 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)=O)C2)NC(=O)OC(C)(C)C 1801930684 POJKWKXOJFBFQC-CLWJZODNSA-N 452.552 0.572 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Cn1cncn1)C2 1802125726 PQPVJARJSZBZJI-ZSXDVEMLSA-N 474.562 0.420 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1803500856 ABOCFOBVXPKMQN-LMLBSEAXSA-N 477.587 0.274 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1810285390 QBFGMPODIVOYGO-ZZXHSXFOSA-N 478.557 0.813 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815672209 DHMWYEVLKRASLG-DOTOQJQBSA-N 468.580 0.933 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)NC(=O)c2cnccn2)n[nH]1 1819511684 BGYUIKAECYTXJS-YMQRJHMESA-N 480.529 0.869 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819886956 OIKXPDPCZQMKTA-LMHOGXDRSA-N 450.565 0.177 30 20 JCED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1)C(F)(F)F 1821992038 QHSFHXZDTNBOJJ-LLVKDONJSA-N 451.369 0.960 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4CNC(=O)O4)CCN3C(=O)OCc3ccccc3)C2)CC1 1828589474 JXBZERWHRIDGPM-UUOWRZLLSA-N 481.509 0.851 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncnn3C)CCN2C(=O)OCc2ccccc2)C1 1828665619 SWDWOSCXRUBGKV-CLOONOSVSA-N 494.552 0.919 30 20 JCED O=C(CNCP(=O)(O)O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828913505 YZEDAXGLRQJKKY-LUJYGJGBSA-N 457.512 0.803 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330465 HLZRKFPPEOONEN-MZNJEOGPSA-N 484.509 0.038 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1829466266 IYCHZERFTJDOLG-WATLYSKOSA-N 468.554 0.575 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C)nn4-c4cccc(=O)n4C)C3)C2)C1 1829667076 UCLOXBZNFYSDQO-VWLOTQADSA-N 481.553 0.916 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1829755409 DIBZWJDLEYZQPY-NRFANRHFSA-N 472.527 0.844 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3-c3ccccc3)C2)C1 1829766257 OKCJFQQLGYPKGE-KWQGRVAKSA-N 479.537 0.801 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1829770295 HUZBCIVUCOHJCP-FUMRIQNTSA-N 457.531 0.148 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1829864484 IQUMRAMCCVFTQU-IMWIBFENSA-N 494.589 0.274 30 20 JCED CCOc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cnc2c1cnn2C 1830056418 XLRNXGDBARXATJ-QHCPKHFHSA-N 470.530 0.987 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461435 IZDUHDRLPBDCBG-VWLOTQADSA-N 464.522 0.960 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1830881571 DHNVKVVKEQKXHI-HOIFWPIMSA-N 489.635 0.673 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1830886227 SKFOEARLCNRRRT-IERDGZPVSA-N 491.532 0.930 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1831219397 YGUCTTUFXAALRF-JOCHJYFZSA-N 453.455 0.955 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1831391809 WLZKQFZRPPOEJO-JPYJTQIMSA-N 453.499 0.376 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1831412097 CTGAICLOHWNCKC-JXALWOEJSA-N 463.575 0.827 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1CCCCO1)CCO2 1832345517 ZVKAHUQCOGCEHQ-WUWKPAIXSA-N 453.536 0.931 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1834714785 QYAUBIFDBOXUPV-UHFFFAOYSA-N 471.562 0.642 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1835245427 SZGGMDRBHOPSBA-YADARESESA-N 499.605 0.965 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)c1ccc(O)cc1 1835437901 PGVNGXXBAZMSON-YADARESESA-N 457.527 0.434 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)s1 1836083881 YMTNHAGUIFMDAJ-QFIPXVFZSA-N 471.539 0.796 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1836621854 MRBNOAXXXSFDSG-SEPYTNNBSA-N 497.520 0.126 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836780172 CMEFWAOSIUOLLR-MHECFPHRSA-N 471.558 0.855 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1837309118 JVGIJIJIFMXJNL-NFBKMPQASA-N 483.631 0.883 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1837394506 CEAKCGAFPGUYLT-VGOFRKELSA-N 451.495 0.872 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1837405754 ZWDMZCZSQRZDBR-CYFREDJKSA-N 481.590 0.884 30 20 JCED Cc1noc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524474 IDLAPJSHVWKABJ-MYRHLRDYSA-N 450.492 0.890 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564497 SAYYOSUYHZDRNS-XUHCNCODSA-N 455.471 0.189 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1837663241 SQLXYRRNCZTXDJ-JOCHJYFZSA-N 458.519 0.480 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1837704557 XJGMDYVGTPUIPX-YTZAWJCFSA-N 492.573 0.050 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1O 1838732952 GHXLLNUGHPDBOG-QHCPKHFHSA-N 454.483 0.913 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(-n5ccnc5)ccn4)C3)C2)c1 1838738171 UTCCZMGJWLMYIH-QHCPKHFHSA-N 461.482 0.851 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nn[nH]c2C(F)(F)F)CCO3)c1 1838766058 QESSKYOYPXSOOG-QGZVFWFLSA-N 453.381 0.407 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)C1 1839043508 DKZXLJFASQYVBG-JOCHJYFZSA-N 460.556 0.314 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc3cccnc3cc1F)CCO2 1839134661 GSFNSYZTDYVKOH-HSZRJFAPSA-N 455.442 0.461 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1839174380 YGIQDXPXFFSJRI-JOCHJYFZSA-N 479.555 0.444 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185513 DSOAGAJGKNZQDA-QMHKHESXSA-N 460.506 0.611 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423161 ZWKGOKONSUMNOH-VFNWGFHPSA-N 483.974 0.962 30 20 JCED COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839424735 AEFUVFNVEHZBAI-HXUWFJFHSA-N 450.879 0.638 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839447899 COABKTVVEHALTP-NOIVPASESA-N 463.487 0.697 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(=O)c5ccco5)C4)C3)c2c1 1839487457 JEXNPUSRLUNSBS-QHCPKHFHSA-N 463.450 0.980 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1)C(F)(F)F 1839893207 RQTLGFDKEWFPTL-GOSISDBHSA-N 460.409 0.288 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1840108352 RNAFPPQWLZLCJO-YGKZAACZSA-N 480.562 0.048 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)c1ccc(O)cc1 1840221824 MFHJWVBUEVARQD-CLOONOSVSA-N 480.521 0.743 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCCCC(=O)OC)CCO2 1840234668 ZEXYKBFAPAOCDP-AXKWSIDASA-N 465.547 0.425 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1840906410 AXIMQQZBVCUHMM-MBSDFSHPSA-N 475.546 0.407 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cc1cnc[nH]1)C2 1844215411 CIHAQKMKWOAQEZ-QGZVFWFLSA-N 490.561 0.961 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCN(c2cc(OC)ncn2)CC1 1847258697 DGIOMSHLZBLKDJ-DHJFXDNESA-N 468.558 0.762 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1C1CC1 489330527 KNOWNWCPFKSILA-UHFFFAOYSA-N 490.532 0.798 30 20 JCED CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)CC1 512976115 SPPIHLFIJAFJKD-UHFFFAOYSA-N 461.526 0.628 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C1CCN(C)CC1 516371968 GDDIRNHYUOZAFK-INIZCTEOSA-N 498.605 0.617 30 20 JCED C=CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 517832174 XFCNHFKHEFIRTE-IRXDYDNUSA-N 466.560 0.688 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 523476701 CANICKHXUZBLJM-UHFFFAOYSA-N 461.540 0.910 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C(=O)N3CCCC3)CC2)CC1 591555629 PIBVBQKCMKRODU-UHFFFAOYSA-N 474.587 0.225 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)ccc(Cl)c2Cl)c(=O)n1CC(N)=O 608912307 QYOOJQCLXWJUBH-UHFFFAOYSA-N 489.768 0.621 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(F)c2F)c1=O 730801769 KHUZMDZGWZEGOH-UHFFFAOYSA-N 453.492 0.014 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(N2CCOCC2)c1 1288872637 YGXLZCFOMMBYLJ-QFBILLFUSA-N 475.575 0.502 30 20 JCED N#C[C@H]1COCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1435169442 XCSQKZIFBZMNIW-INIZCTEOSA-N 454.936 0.704 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)C1 1447484335 LZMIHFSHJMNEEK-GJZGRUSLSA-N 451.524 0.941 30 20 JCED Cc1nn(C)c(N2CCN(CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 1654184275 SYQLITISPXTYPP-UHFFFAOYSA-N 459.576 0.119 30 20 JCED CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)c1=O 1746360479 JNMBQSLHSYTZQA-PGRDOPGGSA-N 489.602 0.971 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1CN1CCOCC1 1751240018 YKLQBJJZQMUSMU-YLJYHZDGSA-N 489.602 0.498 30 20 JCED CS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1770334949 MXZBHMCGOGURKW-QGZVFWFLSA-N 478.600 0.570 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1770682156 XGEAXKPCLZYXTN-JOCHJYFZSA-N 472.571 0.892 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cc(Br)ccn4n3)C2)C1 1778762770 VERXTPNRBLPMOD-IBGZPJMESA-N 461.272 0.628 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779106491 KKEVHPVLAOGORZ-ONBDIYLASA-N 473.530 0.559 30 20 JCED O=C(c1nn[nH]c1C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1780360636 HMRBXOLOSYDSMP-LBPRGKRZSA-N 477.293 0.622 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1781165788 XJPHTSLFWIRFRO-XFAGBWLFSA-N 494.589 0.576 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C2(N4CCN(C)CC4)CC2)CCO3)c(C#N)c1 1781173259 ALJVGYLBDJIWHF-RUZDIDTESA-N 481.597 0.719 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781201739 IVUKSQBWDXSDNU-JKJLQIMHSA-N 481.594 0.829 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1781310872 WCBHWIGNIADZEW-WZONZLPQSA-N 472.546 0.170 30 20 JCED C[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783521099 PJPVFKWXGPPTLP-AOMKIAJQSA-N 450.536 0.738 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783764807 BSBXAMHMTJOVDW-MZNJEOGPSA-N 490.557 0.601 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCOC)CCO2)C1 1783885361 ZEVOVZJTTJVENL-GAJHUEQPSA-N 498.577 0.658 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)S)C3)C2)cc1 1783888839 MNTLZTRCHLRUFT-YRNRMSPPSA-N 455.602 0.810 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785034234 VQLUZPOEJNYJKR-MUGJNUQGSA-N 453.605 0.465 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)cc1C#N 1785196089 NBQITGSYUWHADZ-FDDCHVKYSA-N 457.531 0.382 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1789838791 UOJJXVZZRYCGAW-VJANTYMQSA-N 478.590 0.751 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1789889987 ASIKYYHUEVKYKP-FHWLQOOXSA-N 458.515 0.301 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(C)=O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791378936 OERWBBHDJAVCRP-VJANTYMQSA-N 464.563 0.668 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)C(C)(C)S 1795390685 CAHTWQMZVGOKGJ-AEKWLRTRSA-N 484.619 0.456 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1795518723 OMBHINGNPXEKLY-AJYBTWMASA-N 490.605 0.146 30 20 JCED Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1795979015 PVUWVYVQUQJLMA-ALXJQNPVSA-N 487.561 0.857 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)N1CCN(C)CC1 1799186260 XEWLMARJFUZFRP-LAVAIGHBSA-N 465.558 0.274 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c1 1799861577 MJKWZASFMVTCEY-GEOOHVNFSA-N 497.545 0.961 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O 1800542216 VMELQQOBMPSYPK-SFNKJDCFSA-N 450.536 0.019 30 20 JCED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)cc1 1802107612 PDYQHWZPQLDFNJ-HGKCTWBKSA-N 458.565 0.816 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806078356 KTSMSJSMPDOCPI-CTUFNNTOSA-N 477.525 0.200 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1807144314 XCJOLCGPBSBUSA-GCJKJVERSA-N 466.542 0.684 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807945488 ZMQJLQSVJQDINY-XUWXXGDYSA-N 452.475 0.118 30 20 JCED Cc1ccn2c(=O)c(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)cnc2c1 1809395060 BMMOBOQEXLWHMG-VGSWGCGISA-N 459.462 0.806 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1809603668 PMVUPHGYMOMINV-NZQKXSOJSA-N 457.575 0.844 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)ccc1F 1810351358 KBZIYVMIVPYPPD-NIDLKEISSA-N 481.528 0.991 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC3(CCCN(C(=O)c4cc(=O)n5[nH]nnc5n4)C3)CC2)c1 1810488411 WBDYCYPDNBWFNL-UHFFFAOYSA-N 464.461 0.982 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1811720956 HULQGSSACGITKZ-FOIQADDNSA-N 487.455 0.852 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)ccc1F 1812716658 CXNHHTPFNHPNRD-CPJSRVTESA-N 483.544 0.627 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1815670591 CEJNAWZMEICIBI-MVAZDOBMSA-N 496.590 0.661 30 20 JCED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CS(=O)(=O)N2CCCC2)CC3)c1 1821603944 LPEFFBWZZFBKOA-CYBMUJFWSA-N 462.557 0.994 30 20 JCED C#CCCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824807842 GHXQTFWRLPHNIR-AEGPPILISA-N 475.596 0.649 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCN2C(=O)OCc1ccccc1 1829003456 LQMTUNVNTUXJAR-RUZDIDTESA-N 462.506 0.934 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829634377 MEYAPASPMHWKTN-VWLOTQADSA-N 464.522 0.960 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(N5CCOCC5)cn4)C3)C2)C1 1829665095 RXBFZICMCWZVBO-XMMPIXPASA-N 456.543 0.954 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C[C@@H](O)CN4C(=O)OC(C)(C)C)C3)C2)C1 1829673069 FSJGHPLYLOVPOH-YDIMBITNSA-N 479.574 0.779 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)C2)C1 1829762969 VFYXGJGUXXOCBZ-YQFKSVOFSA-N 494.589 0.462 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C(=O)c4ccccc4OC)C3)CCO2)C1 1830425404 IFSUPCFIRHMQHU-SIBVEZHUSA-N 499.564 0.262 30 20 JCED CCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830856662 VOGLCBZOFYLQDF-YADARESESA-N 471.510 0.130 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1830887372 ZPQNSMQQQAAULG-GAJHUEQPSA-N 476.530 0.325 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(cnn4C)c3OCC)C2)C1 1831394121 WVRGPIBOBYJPNY-BXKMTCNYSA-N 485.541 0.475 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc4[nH]ccc4c3)C2)C1 1831401941 JUYJUBKMXUZHNO-MHECFPHRSA-N 454.527 0.990 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1831434861 HLPKXBNFKZYWIE-HJPURHCSSA-N 456.499 0.997 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1832000784 WVNKVJIQBAFZMA-BSRJHKFKSA-N 492.577 0.765 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2COc4ccccc4O2)CCO3)c1 1832499704 OKGQDVFIQZWQLA-NZQKXSOJSA-N 452.467 0.796 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833208336 OMCFMCGGXGFALI-NVAXRVGSSA-N 450.927 0.672 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCc4ccccc4[C@H]3O)CC2)CC1 1833332098 ARSKEMMQERGTOG-XUZZJYLKSA-N 453.539 0.942 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nc1 1833648112 YUACDZQOROPOGA-ALUBYUQESA-N 475.546 0.747 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CC(N)=O)C3)C2)c(O)n1 1833695936 KKSHATAGFNDGGJ-QMHKHESXSA-N 460.531 0.487 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c1 1834735635 SXGHSBGBKZOWLD-HXUWFJFHSA-N 458.538 0.475 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(Br)nn4c3)C2)C1 1835353696 BKZGJSVJXYQDTC-LJQANCHMSA-N 477.319 0.866 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)c1 1835706365 NYEUDKLBUWCNOP-OFNKIYASSA-N 453.474 0.862 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)C(=O)O 1835752182 ONZICGOXCCIVAF-PGRDOPGGSA-N 463.918 0.211 30 20 JCED Cn1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CCO3)n1 1836320927 YFFWHYSUZXWXEG-LJQANCHMSA-N 479.419 0.484 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](C)NC=O)CC3)CC2)c(C#N)c1 1836403423 IFVBYGHOGOIGBW-KRWDZBQOSA-N 455.559 0.815 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2)c1ccc(O)cc1 1836676327 IBJZCBNUNADFEW-KCWPFWIISA-N 498.624 0.593 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836686929 BZYMOILLTPGOJY-NOXFTYBFSA-N 463.600 0.662 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837318044 JGUUYRSQUORZFC-SCLBCKFNSA-N 452.426 0.121 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccccc1=O 1837444016 ORKMAEKNHAKZKT-FPOHTGDQSA-N 459.547 0.337 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837482753 CIZWBMKXZNKDEM-SBUREZEXSA-N 450.499 0.919 30 20 JCED Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837524605 JZLCRGSNSCNWMY-VVVHYZARSA-N 460.531 0.918 30 20 JCED COc1nc(C)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531523 OUEATEBYCREHLO-FYGKWSDDSA-N 476.530 0.998 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837674322 FHIHSMMGLUWZSE-VZCLOHQVSA-N 451.568 0.219 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)c1 1838907674 IIZVYEQBMFJUTB-XMMPIXPASA-N 460.494 0.914 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)c3cccc(Br)c3)CCO2)C1 1839054614 HLQGMQFWQWNRIA-WVBUVRCRSA-N 495.370 0.977 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839190891 JGIAPVXJLXDDCM-IWMITWMQSA-N 473.592 0.445 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839191161 XCRCWYRPWIYEFW-CJFMBICVSA-N 499.520 0.402 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(Br)c1F)CCO2 1839281356 WKKNBXICPCXNFP-IBGZPJMESA-N 469.263 0.746 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(CC#N)cc5)CCO4)C3)CC2)CC1 1839362971 ZYTNKENXESXWPQ-RUZDIDTESA-N 481.597 0.603 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc6n(n5)CCC6)C4)C3)c2c1 1839488299 JYNSSGCASSBCBH-XMMPIXPASA-N 475.509 0.961 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839645315 HDMJISHWDUILLU-XBEJUPMFSA-N 454.527 0.987 30 20 JCED CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1839831087 ANVCYLCTBMQYGY-XMMPIXPASA-N 492.573 0.963 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1840026739 UJAYPIQIPWBFMS-PNCHPQGNSA-N 467.563 0.520 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@@]3(CN(C(=O)[C@H](C)S)CCO3)C1)C2 1840163749 NSNIKXJBYWZQPN-PONJGIIJSA-N 480.587 0.397 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1840170060 YOXRKZOVZWBRGN-LLZJGCNPSA-N 469.582 0.882 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840272223 MHFLHGXMIMZMQK-GBWYYYKWSA-N 493.601 0.911 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCc5ncc[nH]5)CCO4)C3)c2c1 1840325966 FIMRLUWBMWNVBG-HSZRJFAPSA-N 463.498 0.860 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1840819477 MWSIGHWOAAODGQ-DEOSSOPVSA-N 492.492 0.456 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CCN2C(=O)Cc3ccccc3C2=O)C1 1841400619 BBZFMOITSOWKLI-HJWRWDBZSA-N 464.522 0.663 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1841748204 ILGNSFSFMPXGNX-CQSZACIVSA-N 452.508 0.202 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)c4cc5n(n4)CCCNC5=O)C3)c2c1 1843999390 GGSSPKLJAICLID-UHFFFAOYSA-N 458.482 0.895 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc(C)c(O)nc1=O 1847942551 WEWLMGFIUCPYJZ-ULQDDVLXSA-N 475.546 0.929 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 28333536 LIRNXOCIVFAUGL-UHFFFAOYSA-N 486.579 0.906 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@@H](CO)NC(=O)c2ccccc2)CC1 109129316 SKUHFPDUFNPVNX-GOSISDBHSA-N 493.476 0.789 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cccc(C)c3C)c2=O)cn1 517495715 CAPDEJOPBJPKPE-UHFFFAOYSA-N 451.552 0.998 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)Nc3cccc(OC)c3)sc(=Cc3ccnn3C)c2=O)cn1 522385036 HJTGCEVGHQHLKN-UHFFFAOYSA-N 475.534 0.999 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3CCN(C(C)=O)CC3)nnc12 642518843 HTWNCUVOFKWQQW-UHFFFAOYSA-N 469.571 0.603 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 726042604 LFIXBVALPWBKPT-CQSZACIVSA-N 469.454 0.331 30 20 JCED C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 729790269 WBCSLZQPEGWPSL-SAZKUCFMSA-N 451.549 0.275 30 20 JCED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nc1 730891413 RGSAKQYJYTYEII-UHFFFAOYSA-N 450.423 0.921 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)cc1 769643815 RFPFTTQFAXCJOQ-UHFFFAOYSA-N 467.406 0.938 30 20 JCED CCOCCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cnn(C)c2)c1=O 837368164 HXWRGEGLMHMSRK-UHFFFAOYSA-N 453.572 0.939 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 838287793 GYHBTBRGRPQRSU-UHFFFAOYSA-N 459.524 0.806 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1 918423957 IYZQJPHQYTXCKS-VKWHMPGMSA-N 499.615 0.226 30 20 JCED COc1cc(-n2cnnn2)c(Cl)cc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 919382841 SAARIPKNWKHBQZ-UHFFFAOYSA-N 486.876 0.998 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)c1 927574039 XSMFYMMZYCWDML-NVXWUHKLSA-N 456.542 0.083 30 20 JCED Cn1cc(N2CC[C@@H](NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cn1 1222145717 LVHLSWSWEOEISE-GOSISDBHSA-N 457.516 0.113 30 20 JCED CCN1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1313911457 JZAXTCHWOJZSRD-KZNAEPCWSA-N 467.596 0.214 30 20 JCED COc1cc(F)cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1315338144 PTEFXJNVFYYOSM-ZWKOTPCHSA-N 480.522 0.536 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4c(cccc4NS(C)(=O)=O)C3)CC2)o1 1473118656 PDKRLHQSDAMMEB-UHFFFAOYSA-N 458.544 0.933 30 20 JCED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1555803437 OHUCVYXOZXPXLJ-UHFFFAOYSA-N 466.589 0.769 30 20 JCED CC(C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1706204033 SXLILPKNVZGLCU-IBGZPJMESA-N 489.602 0.580 30 20 JCED CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1750198606 QUKSCPWTHPQTKG-GOSISDBHSA-N 461.544 0.894 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCOCC2)CC1 1761363080 KLPOPIAVCABMOK-IRXDYDNUSA-N 467.596 0.214 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H](C)S)CCO4)CC2)CC1 1778319951 ILAYVJGLGRCUBY-SBUREZEXSA-N 466.648 0.858 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779401446 VCHQAUSWSSMZOU-TZBSWOFLSA-N 499.612 0.669 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779534705 MRAXRTGUHYQXAJ-QFIPXVFZSA-N 451.439 0.569 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(OC)cc2C#N)C1 1780687340 VTGLIGVMLIWBGG-NHCICSSKSA-N 488.541 0.688 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781252701 SVBJHCLRGZDKGI-HOIFWPIMSA-N 452.552 0.810 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1781265950 XUQNOYUIMZLFTE-JOCHJYFZSA-N 479.555 0.579 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1781267052 KIHVCXYJZGTYIZ-HXOBKFHXSA-N 482.578 0.568 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782650295 UFBPGNABLUULJO-KSFYIVLOSA-N 481.619 0.217 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783506600 XRPRIVJXYAVURY-XARZLDAJSA-N 461.515 0.551 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783613452 JCVXBAAYLGAEPL-NXMSCROESA-N 493.605 0.468 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)N(C(=O)OC(C)(C)C)C1 1784087915 CXDSBZWLYSMZEF-DGGJZMOXSA-N 462.547 0.518 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C[C@@H]21 1784477508 FFZNEDDBXWBHEV-FSGKZVOOSA-N 479.574 0.640 30 20 JCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOCCOC)C[C@@H]21 1785016933 MCNAVYGJJLFNJK-ACRUOGEOSA-N 488.647 0.972 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1785574673 NZRRLZFYHGBFNV-NBGIEHNGSA-N 491.633 0.370 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785607748 WCODETBLCNVDKN-PXARDIRTSA-N 472.608 0.539 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(Br)cnn3C)[C@H]2C1 1787777780 ZZTQPKYJBNIFSB-HOSILWTGSA-N 453.337 0.814 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1788603173 CBLKYUKWPSYYHZ-LPSUWGPASA-N 457.457 0.889 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)CC1 1788632637 TZUVJLKUZHEGJN-ACRUOGEOSA-N 495.642 0.336 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4)C[C@@H]32)no1 1788670489 SHBXVQGHYYBPAZ-BJLQDIEVSA-N 451.483 0.878 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788706221 NTYRHPHILSTPOO-NSZZHZHVSA-N 468.514 0.287 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4CCOC4=O)C[C@@H]32)c(C#N)c1 1789842127 YVFVCIPEUKYKFB-YYWHXJBOSA-N 470.526 0.931 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)CO3)C[C@@H]21 1790792914 CACBKRKFJWCTGT-QAETUUGQSA-N 471.501 0.871 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1791542639 DSSAPDIBYCTFPH-UVBQOVKKSA-N 461.563 0.010 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(NC(=O)OCc3ccccc3)CC1)C2 1792489141 JENYIFOQNGMBSV-NXZNQBGBSA-N 496.564 0.893 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792902912 NLIGSNOMNXGPIB-FCGDIQPGSA-N 472.542 0.943 30 20 JCED C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1ccccc1C#N)NC(=O)OC(C)(C)C 1793154445 IUJQAODGEFTGLF-DRYZZIBHSA-N 486.569 0.964 30 20 JCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1793562039 FAVLSLUAOPYYMJ-OKYOBFRVSA-N 453.543 0.698 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)CC1 1793664758 RXXMPVNSINUOAV-ALXJQNPVSA-N 450.536 0.642 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CC(=O)NC2=O)N(C(=O)OC(C)(C)C)C1 1794087924 XCLJCMSTWJTQCG-YVSFHVDLSA-N 475.546 0.742 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794113327 PPAHWPTWJXCTFX-NNXQTKTDSA-N 460.531 0.155 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794113839 HYJYUBYHLIFUGJ-PPSDVSMJSA-N 493.520 0.533 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(=O)n4[nH]cnc4n3)c2c1 1796185906 GLBPOSKDLQXNGR-BTTYYORXSA-N 457.454 0.731 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(C#N)c[nH]3)C4)CC2)CC1 1797279176 FZQKGANWRJLKML-RUMRUAAYSA-N 496.612 0.812 30 20 JCED CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3(O)CCCCC3)C4)CC2)CC1 1799194578 YXDPMDFHRLFQAU-VTYHHJSWSA-N 458.603 0.055 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Br)cc1F)C2 1800779205 ZSWRJUZCZUNFSM-DBWKPXFBSA-N 453.264 0.808 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801050261 CUGUMZWZMKLQNL-UTAOTPEMSA-N 469.604 0.867 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1)NC(=O)OC(C)(C)C 1801071693 UIBZRIDOZYOZFP-KAUDDPROSA-N 478.590 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 1801834087 HTWQVQSVDYWDJY-IBRLJDPESA-N 458.471 0.665 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1802024262 CFIJHGDZDGECCA-SFNKJDCFSA-N 485.603 0.317 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccco1)C2 1802124489 CRBZTGNUNKRIGP-DARIXABFSA-N 461.515 0.819 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnn1CCOC)C2 1802128147 ZDDZLFCJPXVVBH-AJYBTWMASA-N 489.573 0.649 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810359432 YFAUFTKXDDPPEU-SDWKVFCTSA-N 469.498 0.541 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)[C@H]1c1cccnc1 1812883286 ZCQGBFXZEYBXOH-UUOWRZLLSA-N 472.457 0.919 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814768119 QDHLVSZMAZWFRE-TUSKSUNNSA-N 475.464 0.309 30 20 JCED C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1815195732 ZUYFCUSMJRZKKE-DOTOQJQBSA-N 451.549 0.171 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)CCOC1 1825671086 ZGQTZMZOOIUFKD-QKVFXAPYSA-N 478.527 0.827 30 20 JCED O=C1NC[C@@H](C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)O1 1828589080 CGOBUJREJRLBBQ-NBGIEHNGSA-N 480.521 0.960 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1828925574 XWDYHQDKJNLYDM-DHLKQENFSA-N 499.568 0.393 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1829346746 ZTSQKUSBRCYSQL-CEXJFXJFSA-N 474.583 0.893 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1829777771 CTSUILXXSJFKHF-QFIPXVFZSA-N 471.620 0.166 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC1)CCO2 1829881742 NLPPVXDGFFBUTL-UUOWRZLLSA-N 479.574 0.786 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)c1ccccc1 1830044255 AIPLZFCEDXNWJZ-SQJMNOBHSA-N 470.570 0.911 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1830470347 UEIYLDTVXHIQJV-HSZRJFAPSA-N 471.897 0.073 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)cc3-n3nccn3)C2)C1 1831396545 FMEYZBPKIHSOKR-DVECYGJZSA-N 467.526 0.684 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1831424429 IVNATYSAMGSZIK-YZZKKUAISA-N 484.594 0.276 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1831487005 IQCXVSAYPNKFRC-JLHGSKIFSA-N 488.651 0.639 30 20 JCED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)c1=O 1831881352 MJPOZZLLTKVKBH-VWLOTQADSA-N 464.522 0.960 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246317 BWXCLPAPCMBACE-LRDDRELGSA-N 456.389 0.389 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)cc1 1832246682 KMJNGURNEQRZAT-IBGZPJMESA-N 487.406 0.912 30 20 JCED CN(CC(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1)C(=O)C(=O)O 1834520705 UFPCGFLVAINHQN-UHFFFAOYSA-N 454.527 0.153 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)=NO2)C1 1834767702 VSIDEMLYPLQWGX-JOCHJYFZSA-N 477.518 0.122 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116854 IATKWTMIKQVTSS-SFHVURJKSA-N 468.620 0.022 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1835351893 CXSKZBVYMNBPDH-XMMPIXPASA-N 468.510 0.362 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)O2)C1 1835352177 PQJIZYKWBCZZOT-MHECFPHRSA-N 492.573 0.915 30 20 JCED CC(C)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)C 1835897359 BRHGMBHDAQHIGP-KTGCVPNGSA-N 451.612 0.937 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)CCO2)C1 1836639994 DUGQFUFHOSHZCF-IMWIBFENSA-N 479.574 0.738 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836653135 AEFPLFCAELDFBS-RDPSFJRHSA-N 458.511 0.956 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CN(Cc4ccccc4)CCO2)CCO3)c1 1836688480 VIYHSKVXFSOMBQ-OZXSUGGESA-N 493.564 0.857 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C2)C1 1837396761 JKTKEJCSTHZLEL-RDPSFJRHSA-N 494.610 0.798 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837429989 FVYYLRDVAZVDNM-OFNKIYASSA-N 481.666 0.645 30 20 JCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837436582 WVVFMJFWXIRAIM-QBXUWSICSA-N 485.585 0.944 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1 1837490368 ALFYLHHKSNZNPB-XMMPIXPASA-N 472.542 0.644 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)no1 1837552175 BTUNNZMHQSIQFZ-XMMPIXPASA-N 497.508 0.120 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C(C)(C)C 1837560251 UJQKFLGZTZTQEJ-ZWJWILEUSA-N 462.547 0.706 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1)c1ccccc1 1837612324 CEBAFJRSMLJHDA-STWLZBDKSA-N 453.539 0.919 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1)c1ccccc1 1837613175 XMQVKOMXLXPQHG-OFNKIYASSA-N 493.497 0.365 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838582581 UHHVAUQGOAGTTQ-MWTRTKDXSA-N 456.499 0.328 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838768480 JOPMNMOYNUEUQH-FQEVSTJZSA-N 494.430 0.844 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C3)C2)c(C#N)c1 1839131551 KBQWTGDOYKTYAR-LEWJYISDSA-N 485.459 0.879 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839186112 ZZYNNMWDDTVHGF-HXOBKFHXSA-N 479.530 0.390 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n1 1839225627 ORDWPVAZFRHXKY-QVKFZJNVSA-N 479.490 0.869 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839361072 NYDNROPGCCFESX-IBLIISRWSA-N 452.511 0.681 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)c(C(=O)O)c(C)c1)CCO2 1839479769 XVSPQQPGDVMMAJ-ASYDGFSTSA-N 485.537 0.930 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630470 ZSCSCCAKCUVGOZ-XMMPIXPASA-N 467.526 0.727 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3OC(F)(F)F)C2)C1 1840039977 GJZYFOVPSZNKGZ-IBGZPJMESA-N 456.373 0.743 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1840157726 YPJYLKWBYLKDMO-BOCKYXSRSA-N 461.584 0.810 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)c(O)c(C)c1)CCO2 1840674071 ASKFBHOJGYPEIV-XLQQFJOYSA-N 457.527 0.937 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2)C1 1840840579 FLGPYHIEJJRXHE-VHKJGPOGSA-N 499.630 0.518 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCO2)C1 1840887134 WWBAKBCNCWANHY-OPAMFIHVSA-N 463.462 0.771 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1841056616 TXUHQMBBPRBFIT-FPLPWBNLSA-N 489.573 0.128 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1845440319 CUDCESLPIDUEHY-HOTGVXAUSA-N 480.562 0.950 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC4(CCCN4C(=O)C4(C#N)CCC4)C3)csc2n(C)c1=O 1846975606 KTOVVXXCRAYDMS-UHFFFAOYSA-N 455.540 0.738 30 20 JCED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1847292581 YXQPEZCAYXJRTH-FHWLQOOXSA-N 460.575 0.922 30 20 JCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3cnn(CC)c3)c2=O)cc1OC 523181297 GMQVKJCOIRMFBX-UHFFFAOYSA-N 497.577 0.788 30 20 JCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1OC 590997489 WCYOUWGFOTYZNB-UHFFFAOYSA-N 498.605 0.603 30 20 JCED Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 603788484 YRCJKGKGSMAOOC-UHFFFAOYSA-N 452.514 0.562 30 20 JCED N#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 603939399 NBALESRESAKFPW-UHFFFAOYSA-N 451.508 0.948 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC1 728530480 HGYQAAVANXSXET-UHFFFAOYSA-N 470.389 0.895 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2OC(F)F)c1=O 729674088 AXINBUXMMNRKKV-UHFFFAOYSA-N 497.545 0.681 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 749356776 XIZRPSBOEYZSON-RELWKKBWSA-N 486.620 0.198 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 839263912 UKUHYROFDRCQBD-UHFFFAOYSA-N 451.508 0.003 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CCOC 916200616 INTXYZUJPKKMHY-UHFFFAOYSA-N 459.524 0.387 30 20 JCED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 918172797 HTXVVHCRHOPIGN-UHFFFAOYSA-N 487.559 0.372 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC)C1 1300850046 VWKNGXXMNUCBNT-ZIAGYGMSSA-N 480.385 0.371 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1301044656 KMHNSKVJTJJUMG-ZWKOTPCHSA-N 489.042 0.912 30 20 JCED CCN(CCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)S(C)(=O)=O 1313798467 SQPRNVRXYKYSAS-QGZVFWFLSA-N 459.580 0.583 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503840232 UNTUTJUGIBBZSR-QGZVFWFLSA-N 475.575 0.591 30 20 JCED COC(=O)N1CCC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1503890958 SAVHOKWGJHXJAY-DOTOQJQBSA-N 483.595 0.685 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1([S@](C)=O)CCC1 1541943460 WTXVCPFQZILNOB-ZLAAAENGSA-N 469.637 0.366 30 20 JCED Cn1cc(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1554336697 JSGQGHVEGCRHEC-QFBILLFUSA-N 466.543 0.419 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCS(=O)(=O)CC1CC1 1611685115 WCBQTSGDSXMJPR-AWEZNQCLSA-N 458.610 0.843 30 20 JCED Cc1ccccc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1693267752 IHOPJVRGNQKIPS-RBUKOAKNSA-N 460.560 0.891 30 20 JCED CS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1731019479 KASDNDXUDJGVQN-HNNXBMFYSA-N 463.539 0.669 30 20 JCED CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1743909494 XGINVPYBTDLRLP-QGZVFWFLSA-N 452.563 0.942 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C2)C1 1778808926 ZEBQYYQDJVXNBH-MHECFPHRSA-N 492.621 0.776 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1779066261 MZHPLGQGLSYLRX-DEOSSOPVSA-N 465.510 0.232 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1779103070 NFXRGYLIIFEHHM-VEVLKRQGSA-N 451.398 0.451 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)cc1 1780699017 PPULBHCBFXJMSR-HSZRJFAPSA-N 465.535 0.907 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)CC1 1783165707 TVBUZLWAGBLIEI-XDHUDOTRSA-N 489.573 0.493 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c1 1783248255 XHCOBUNQEAUUJL-FOIQADDNSA-N 461.569 0.874 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 1783530532 BGAANRXTUVLUGA-GLFPHZSYSA-N 482.497 0.923 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@@H]21 1783530895 SDRDGGGTYJMOSM-IZYOTDRFSA-N 468.510 0.469 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1783531540 VWXRYIWUGVIGFJ-SMDJPQOOSA-N 496.524 0.130 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783614358 XJJDKBMJKUXDNI-VXEMUYFQSA-N 481.590 0.760 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1783921756 SBRNFYDQEYVCGO-IIBYNOLFSA-N 473.592 0.720 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1)c1ccc(O)cc1 1784018025 DLKJTCFVQUGMOF-DRMXPCRNSA-N 457.527 0.782 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785344531 HQOGFGJWVOZQBJ-NTKDMRAZSA-N 478.590 0.407 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380497 UJGJFEIOQHMYTK-OFNKIYASSA-N 473.482 0.262 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1785573325 ZTRHUQRESUEWSZ-MZNJEOGPSA-N 488.541 0.048 30 20 JCED Cc1cc(Br)cnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1786253664 OFBVKAXZDIPWMZ-QEJZJMRPSA-N 450.289 0.834 30 20 JCED CCn1c(-n2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)cc2C)cccc1=O 1786365199 DAZTVYTXYIATBV-LNLFQRSKSA-N 452.515 0.869 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)n(C)c1=O 1786788711 XIXWMQXVEYEFJZ-UHFFFAOYSA-N 463.498 0.872 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788640442 PCBSYKUQPZXYJH-XSDIEEQYSA-N 478.542 0.160 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1789904592 ZYFGVICEFZNCOL-QAETUUGQSA-N 466.583 0.309 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(=O)(=O)N4CCCC4)C[C@@H]32)ccc1F 1789906793 ZKEMXOILKMURRG-CUWPLCDZSA-N 492.573 0.645 30 20 JCED CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2C1)C(=O)C(=O)O 1790258792 UTKAQMOPYNSWGF-JQFCIGGWSA-N 496.442 0.713 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1)C(C)(C)S 1790862985 UOMCDRXAJUGALY-ULQWZQFMSA-N 498.646 0.704 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC[C@@H](C(=O)OC)C3)[C@H]2C1 1791239944 XQXOJKJDIRJKFA-ZDSJIORTSA-N 461.559 0.804 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791395134 CHXPLLBYLXGUCJ-FHWLQOOXSA-N 459.619 0.942 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1795894809 KNMAFWJBOFSCSS-PJVZLEMVSA-N 493.605 0.228 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)C#N)C4)c2C1 1797315468 GMMJLHCCAIYCIF-SCAQPMJSSA-N 487.561 0.782 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C 1797669007 KPQYYCZIYVDDDN-AJYBTWMASA-N 492.573 0.795 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1797729926 PAGPXKLDGBQDLC-KOUHRCEDSA-N 451.640 0.278 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)cc(C#N)c1)C2 1797790412 QTUJCVJPXCDRTA-PLACYPQZSA-N 457.483 0.565 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1799231929 BUCZNYFEJCWTSS-IIZPIQPGSA-N 492.617 0.605 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CCC(N)=O)C3)cc(C(F)(F)F)c1 1799784775 NQLWQXHLGBNJDX-KPEUIFRASA-N 467.448 0.373 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C3)CC1 1800029541 ARYCFMJTBGYYAH-XMTFNYHQSA-N 490.605 0.758 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817467262 KFVGOHLHIJVGRX-OAHLLOKOSA-N 468.474 0.956 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1820894230 JTLKHJXGOIXXJQ-AWEZNQCLSA-N 469.462 0.351 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNC(N)=O)[nH]n1 1823515875 DPRVUHMBPDPGEM-DZGCQCFKSA-N 461.523 0.987 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ncnn3C)C2)C1 1828579316 FEMHLZCLWBLILI-KBMIEXCESA-N 494.552 0.919 30 20 JCED Cn1ccc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1828719918 SPMMLIKLCCHUOQ-DEOSSOPVSA-N 479.493 0.574 30 20 JCED O=C(CN(CCO)CCO)N1CCC([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828951522 BDYTVQFTVSRVCF-JOCHJYFZSA-N 463.619 0.591 30 20 JCED Cc1nccn1CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829335049 RZRICJBOGWFFIX-VWLOTQADSA-N 493.520 0.732 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)COCCO)C2)C1 1829345695 LLCGKZDIVIBBQA-HTAPYJJXSA-N 465.572 0.766 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)cc1 1829632667 ZUHNQGQXDDCSEL-QHCPKHFHSA-N 467.530 0.280 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccc(O)cc4)CC3)C2)C1 1829762271 BZBBAWUNUFGSKD-WEHRJKGCSA-N 469.538 0.739 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1829776761 GUPGCBFGTDNVRQ-MVHYOEPOSA-N 487.509 0.131 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)N4CCCC4)C3)C2)cc1 1829898918 NNGPDTIDBOTYMV-VWLOTQADSA-N 468.554 0.960 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](O)CC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1830529024 FPHXAJDCLYNRFG-IUKKYPGJSA-N 467.563 0.779 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831012530 DJZKWHCDPFPLNS-GAJHUEQPSA-N 496.561 0.364 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831136504 HLAWIUOHEOXGMR-HSZRJFAPSA-N 480.562 0.678 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831215361 JNJIWBCTHDKEIU-FDDCHVKYSA-N 465.547 0.396 30 20 JCED C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(F)(F)F 1832161581 WYGWOMZABCABPD-SVBWMBTISA-N 450.458 0.228 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(OCF)cn2)CCO3)cc1 1833566722 TZJMNLOCHGNDIE-QHCPKHFHSA-N 469.473 0.967 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)c(O)n1 1833699266 XKHAISJFQRNNPA-MBSDFSHPSA-N 458.515 0.254 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c(O)n1 1833700491 ZIKNXHMAYIKWCG-WAIKUNEKSA-N 458.515 0.112 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834850517 CNGMIOUOOXDWLV-HXOBKFHXSA-N 483.562 0.865 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835211627 PJRWFTOYUFOFNS-GAJHUEQPSA-N 469.579 0.883 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](OC)c1ccccc1)CCO2 1835278488 IYMLREKDQGWLNW-NDPCJVRSSA-N 457.527 0.689 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c2ccccc21 1835342281 WJSMVMBWTMZRFA-QHCPKHFHSA-N 453.499 0.100 30 20 JCED C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1835525557 IODDWRPBASTLEW-BFUOFWGJSA-N 455.437 0.637 30 20 JCED COc1cncc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835675323 NPCFWVAWIJPKHT-DEOSSOPVSA-N 473.574 0.761 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1835714514 PQAUYIZSLZFKOT-QFBILLFUSA-N 457.637 0.812 30 20 JCED CC(C)CNC(=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767618 HIQGMKBKJKSKHD-NSRYLYFRSA-N 465.595 0.859 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)CCC)CC2)CC1 1835819926 FFCDMADELDQISD-JTHGQSKGSA-N 461.607 0.721 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1836213319 FZXKJFLCRXRSRB-HKARXFIJSA-N 480.562 0.363 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1836865267 ZCIFUZQLNBBPEF-OAHLLOKOSA-N 458.519 0.621 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837397409 QHNNSFVOJJJWRG-IIBYNOLFSA-N 450.561 0.598 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488420 DOINTURHCMQOQG-HSZRJFAPSA-N 460.531 0.197 30 20 JCED COc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524264 DIYKEMAADKEAMS-PBPYGMEZSA-N 462.503 0.689 30 20 JCED O=C(NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2)c1ccc[nH]1 1837560201 SSQSHCYBDXUNFE-HPTBBYBNSA-N 471.514 0.303 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccccc1=O 1837691280 LCABYQPMIAIKLG-CRICUBBOSA-N 490.520 0.927 30 20 JCED Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1Cl 1838307640 XDPSGWVATWYRLI-HXUWFJFHSA-N 452.943 0.425 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc(O)n5c4CCCC5)C3)C2)c1 1838738168 UMHYNWROSWPBIE-JOCHJYFZSA-N 454.487 0.509 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)nn1C 1838831831 IBBAHRKDHWTNMR-QHCPKHFHSA-N 453.499 0.613 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839082363 JORWFMBTHULCST-IBUFVNOPSA-N 492.573 0.373 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839138551 GXADLJXHHOXAJY-QFIPXVFZSA-N 468.551 0.534 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1839662431 NWWGINQSKLNUKY-HSZRJFAPSA-N 470.913 0.405 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOc3ccc(Br)cc3)C2)C1 1840039883 CGVRGQSFCKDIPK-OAQYLSRUSA-N 495.326 0.762 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(-c4cccnc4)n3)C2)C1 1840042073 YTFZPPAYSMBNFU-NRFANRHFSA-N 456.480 0.363 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840252562 XURCDTPIQPHZQP-HKARXFIJSA-N 494.545 0.117 30 20 JCED O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccccc1 1840800534 UALGENBIEINQMT-MHZLTWQESA-N 497.592 0.962 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1ccnc1 1840818545 IZWBFTYGXRVBGV-FDDCHVKYSA-N 453.499 0.851 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840819512 OBDZGTURBFTWRC-HXUWFJFHSA-N 467.425 0.503 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1c[nH]c3ncccc13)CCO2 1840869428 XPXWFCLULHBEBA-YZRXDEHNSA-N 481.553 0.810 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](O)N3CCOCC3)C2)N(C(=O)OC(C)(C)C)C1 1844297930 OVIMENKGTOTPSS-PKOBYXMFSA-N 464.563 0.406 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1nccnc1C(N)=O)C2 1847082982 ZCRNYGMQLGIWTA-QKFKETGDSA-N 470.530 0.862 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 1847264660 CVGKAQDNGUWTSU-DUHFXLQASA-N 478.546 0.503 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1)c1ccc(O)cc1 1848071704 JCPWEVMQJUZWEV-BVSLBCMMSA-N 473.595 0.821 30 20 JCED CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 10452703 HKNOYNRPBFKFII-UHFFFAOYSA-N 462.553 0.955 30 20 JCED C=CCn1nnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 108756176 NJFJBPVIPCALTL-UHFFFAOYSA-N 454.534 0.619 30 20 JCED CN(CC(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 481441677 FEXDFVRLLOJIPU-UHFFFAOYSA-N 455.540 0.622 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 514765385 SDQBIRADWIGHCI-UHFFFAOYSA-N 455.536 0.962 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(-n4cncn4)c(F)c3)c2=O)cn1 523861768 INAGFZQRDIGAQV-UHFFFAOYSA-N 464.486 0.084 30 20 JCED CCOC(=O)c1c(NC(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)sc(C(=O)N(C)C)c1C 590666181 FVOXSCGOWKUZMX-UHFFFAOYSA-N 461.500 0.789 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(C(N)=O)cc1 608828448 UDRLLQZEEANYOL-CYBMUJFWSA-N 468.560 0.714 30 20 JCED N#CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 609432699 JQKAQTWZXAIYJI-GOSISDBHSA-N 486.550 0.830 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 769639967 CLJKFQQXJVPMBX-CQSZACIVSA-N 494.551 0.657 30 20 JCED CNS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1299317821 RUMPBIBVBVCIMR-JOCHJYFZSA-N 490.609 0.634 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@H](C)C1 1301045271 RUSHJPVWWQBKAV-CVEARBPZSA-N 463.004 0.520 30 20 JCED CS(=O)(=O)c1ccc(OCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1302428531 SYJAZCHBNLKZEG-NVXWUHKLSA-N 460.516 0.440 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(O)CC1 1303642057 UGEGDUVIGQZQBR-FUHWJXTLSA-N 469.612 0.196 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1360602028 LJWTUYOWHCUDSB-DLBZAZTESA-N 453.613 0.987 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC(=O)N1C 1512497956 JQENXQIZFKVOFF-RDJZCZTQSA-N 458.544 0.830 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C 1539601137 WKIBBFXJWXYDNF-QWHCGFSZSA-N 477.385 0.187 30 20 JCED COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)CC1=O 1561840613 KFXHVWMDHUEYBJ-CYBMUJFWSA-N 459.366 0.778 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1708242738 LPEKTYFPDZPTOX-OAFZBRQQSA-N 457.576 0.830 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC2)CC1 1751278303 DERCMEOFUVBDRO-QGZVFWFLSA-N 451.597 0.837 30 20 JCED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1766760444 PRVWIQBKIFPDCS-JGCGQSQUSA-N 460.560 0.792 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2 1778099651 VYWXGRAWBGFTAK-NSURZYBASA-N 477.583 0.652 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)c1 1780938701 OHFWOXPBUOILGI-HSZRJFAPSA-N 465.535 0.907 30 20 JCED O=C(CNC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1782238592 OPCKYYDRDSANRF-VTHPGLRXSA-N 478.468 0.708 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1782671609 XKGQDUJJUDULPN-AVRWGWEMSA-N 477.521 0.980 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1783270187 UKEGHIWUHZDIIP-NDBKNAECSA-N 476.574 0.553 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1783581800 WEERTEWOUBPBLK-OKPAFVPDSA-N 461.559 0.989 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783601583 ZXFYJISPCWLIOZ-GAJHUEQPSA-N 463.531 0.686 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]3C2)C1 1783685466 RJPXGHRINBWNKF-DSFVOBFGSA-N 464.563 0.888 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783835520 HYGFTXVNDZZAQJ-MDOVXXIYSA-N 493.648 0.463 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1784186321 NIUSXPQQFNRZDM-QZMQVMSPSA-N 463.531 0.781 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1)c1ccc(O)cc1 1785354464 LECGGBZZFRCTRS-IBVKSMDESA-N 494.548 0.990 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CS(C)(=O)=O)nc3)[C@H]2C1 1787249036 XVNIARHTHFRTDQ-UHMOLFJZSA-N 465.572 0.811 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789292991 XIHFNZGTMPBORQ-OVWQWFNUSA-N 475.546 0.833 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789908220 NWJXOGNGNOHHDE-BPCBYJRWSA-N 496.543 0.690 30 20 JCED CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C[C@@H]43)cc2C1 1790524564 HRWHBPZONARILH-WLMZDOJFSA-N 488.589 0.841 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)c(Cl)c1 1791395821 GKPAXCUEDARWGC-ZVZYQTTQSA-N 456.886 0.730 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C[C@@H]32)c(=O)nc1O 1792132641 FFOJQLCZNZVOPW-IEZWGBDMSA-N 491.508 0.299 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCN(C)CC3)cc1)C2 1793340710 FTRWQTFXMJRRCF-DXKRWKNPSA-N 454.571 0.680 30 20 JCED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1793570978 WVEQPSDNFFFZBV-MXASKKJJSA-N 472.567 0.518 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)CC1 1795288416 CGYAVHPIDCGOSQ-ZMMAXQRCSA-N 489.573 0.395 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3nc1O)C2 1795600190 XBZXWDUAGNZFRC-ALXJQNPVSA-N 452.515 0.820 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795603016 UUVRXPBZZDQRTF-FFGOWVMKSA-N 455.559 0.676 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN 1795970859 QPMYCOPYOXSRBH-QKPAOTATSA-N 453.540 0.389 30 20 JCED Cn1ncc(I)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1796747704 IQVHRDUXDSKVQQ-GNXNZQSNSA-N 457.272 0.532 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1797708438 YQRDCDRUCPDZQB-SHJAMOMRSA-N 498.584 0.342 30 20 JCED Cc1nc2ncccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797811597 CDTLNTCFAFPVQA-YYHSUQQBSA-N 456.503 0.770 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnn2n1 1798422932 FTQJRFQUKORMGY-WQDJSCAQSA-N 482.541 0.849 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(N4CCCNC(=O)C4)n2)C3)c1 1798693267 CTZABJJXJRERNH-FAQVEIGNSA-N 477.525 0.125 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O 1800536593 AJHGBHOCKRXUEM-MWTISTBLSA-N 450.536 0.017 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](F)CN1C(=O)OCc1ccccc1)C2 1800778798 RHERHHUVTHRMQK-PQTWGXLHSA-N 487.484 0.413 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnnn2C)C3)N(C(=O)OC(C)(C)C)C1 1801100272 KFFXCHNWNXVXPL-DFGXFYAUSA-N 460.535 0.584 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCN(CC)CC2)cc1 1801876887 LLCRNAVILLGCHZ-BRHBGCGPSA-N 495.624 0.890 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801991544 RKIFYRSOFKQZQQ-YYAJDYIMSA-N 483.525 0.865 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1801991708 IOZXDSATEBPVBH-NHKMSHSESA-N 460.494 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1802484642 XHIBLWHRXCJJPK-VKRNSVOSSA-N 452.471 0.461 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)nc3cccnn23)[C@@H]1c1cccnc1 1802487317 HEWMNAJSZPYQHT-YLKSCKIRSA-N 487.520 0.663 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)COc2ccccc2C#N)CC1 1804130823 LSQBDPIJGRGRHV-WKCHPHFGSA-N 453.543 0.739 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cccc(=O)n2O)[C@@H]1c1cccnc1 1804946627 YTVKLDVDYOVCSM-IHANMSTJSA-N 451.483 0.659 30 20 JCED N#CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812443196 ANYBXQRHIZUHTL-AXVVYFOYSA-N 470.555 0.181 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822204937 UOFVHXDEQRGPGJ-KBXCAEBGSA-N 491.501 0.946 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(N3CCOCC3)n1)CC2 1825665297 BKRUPXHSNXIJRD-CYBMUJFWSA-N 455.496 0.689 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCN2C(=O)OCc1ccccc1 1829106086 YFNJCVOVYRPLLP-VWLOTQADSA-N 467.570 0.319 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 1829335044 RUGFVACANQANKX-DEOSSOPVSA-N 483.521 0.832 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCN2C(=O)OCc1ccccc1 1829391330 JEXJIYHAZQOWJT-JPYJTQIMSA-N 450.499 0.924 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1829762422 JYCDFEBJVWADHJ-DYRFGFBLSA-N 451.520 0.033 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4c3C)C2)C1 1829766049 IDFGFDOLIKMHSZ-IBLIISRWSA-N 467.526 0.571 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)C(F)(F)F 1829899419 ZDAXWQHZNQVJQX-PMACEKPBSA-N 455.433 0.870 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1830050755 PYDKDPOJHFABJW-VWLOTQADSA-N 482.537 0.608 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)C2)C1 1831402327 VCWUTCSYBBBIJA-APTYZTEPSA-N 491.585 0.881 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1831999791 CUPXIHKWBYYYEI-UZUQRXQVSA-N 494.545 0.706 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833126229 VCWIRXGGRFWHFU-CYFREDJKSA-N 487.557 0.392 30 20 JCED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)cccc1=O 1833874707 VAEWNVCOWWGOKP-DEOSSOPVSA-N 450.495 0.835 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1835184654 GGCIAIARFOGHRD-JXFKEZNVSA-N 456.586 0.543 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1835529555 YEJIVBVJBIPDHE-IMWIBFENSA-N 480.606 0.734 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1835681005 RHTZKCDDADJVAV-XMMPIXPASA-N 461.607 0.743 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)ccc1F 1837319282 PFGAJJJSKNVGRO-HXUWFJFHSA-N 487.406 0.802 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2ccccc2=O)CCO3)c(C#N)c1 1837689183 PHOCDDKZZYOFEF-AFMDSPMNSA-N 494.548 0.989 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838118644 SRVXBMRBTUVEHE-BUUPASLGSA-N 498.540 0.866 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C3)C2)c1 1838905843 BQBUWKQNRYOHKP-QFIPXVFZSA-N 485.522 0.094 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1839173646 DIZNFJHHVIFJJY-DEOSSOPVSA-N 485.541 0.926 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)C)C(C)C)C2)C1 1839174520 HMBSSKNNWBXTFE-NFBKMPQASA-N 453.580 0.975 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2c(O)cc(O)cc2O)CCO3)c(C#N)c1 1839373174 WDAXVWVUPZBYIA-RUZDIDTESA-N 497.504 0.996 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488061 VGKLQXZFUGWKAM-WNSKOXEYSA-N 468.514 0.371 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nc2nccn12 1839549007 OWLXKQOMRIEVDB-ZWGHOPNTSA-N 486.529 0.637 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1839654657 BTEVMPLVELAUSO-OAQYLSRUSA-N 479.990 0.766 30 20 JCED CN(C)[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1Cl 1839734439 ZAYDRTDIHINRFR-IRLDBZIGSA-N 463.918 0.487 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)O)CCO2)NC(=O)OC(C)(C)C 1840030023 YFQXWGLCAALOBE-PNLZDCPESA-N 455.552 0.683 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(C)(C)C 1840041952 RHMSLSWXONNARX-WZONZLPQSA-N 481.546 0.470 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c(C#N)c1 1840193269 DJMKLLKLJWAMDC-QFIPXVFZSA-N 477.539 0.384 30 20 JCED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840201217 KFLZVCRBWQNDRZ-GCJKJVERSA-N 463.556 0.507 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCS(C)(=O)=O)C3)C2)c1 1840716655 PHKLLDDAAFWGCE-VGOFRKELSA-N 463.556 0.818 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2 1840801353 XTAIHJZYTGXAAX-FUMRIQNTSA-N 480.562 0.216 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1840909003 LFJJQXNHCPFBIX-RNHFSVANSA-N 492.617 0.701 30 20 JCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CNC3=O)C2)c(C(F)(F)F)n1 1841847596 OCDIDEUCUDFKIV-UHFFFAOYSA-N 450.377 0.341 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C 1847262918 ONVDXLINUCSWEM-OKVXTZMCSA-N 492.573 0.893 30 20 JCED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1848064233 HEANXFINCDXGLP-YHUYYLMFSA-N 452.602 0.288 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(O)c(C(=O)O)c3)CC2)cc1 13312895 GVZWUQJEFGTBKM-UHFFFAOYSA-N 451.482 0.657 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C1CC1 514521268 IRMYLRLXWXKWSU-UHFFFAOYSA-N 458.971 0.850 30 20 JCED COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 518073116 HDPIIWLOWQMWNT-UHFFFAOYSA-N 485.522 0.997 30 20 JCED CN(CC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 603586681 XLKGJRRKDURKOA-OAQYLSRUSA-N 455.540 0.550 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O 608911758 KCVVOZACIKBJIT-UHFFFAOYSA-N 493.383 0.203 30 20 JCED CS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 730724875 TZASXWOONLBFMY-CLXZYQIKSA-N 491.599 0.682 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1 769207148 PODCYXRWUXBFKB-UHFFFAOYSA-N 467.406 0.938 30 20 JCED CCCCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1c(O)nc(=O)n(CCC)c1N 911586762 ISXJTQILIMJPCQ-UHFFFAOYSA-N 462.532 0.813 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CCOC 916198124 CTDAJGKNUMWONT-UHFFFAOYSA-N 480.384 0.974 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 917692091 UDQQZWOPEDHNGF-XLNRJJMWSA-N 463.541 0.936 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 918382633 BAGWHPZSHQKHHJ-UHFFFAOYSA-N 493.586 0.701 30 20 JCED N#CCOc1cccc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 918436857 GMANRTCKHIYMNQ-UHFFFAOYSA-N 453.480 0.821 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)c1 918591975 HZTDXBHPCNLTCP-UHFFFAOYSA-N 483.506 0.731 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(Cc2ccsc2)CC1 919034438 RSPXURLJGUCPKZ-UHFFFAOYSA-N 462.553 0.786 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1360240296 FNCNVLSMYLAXDX-VQTJNVASSA-N 485.637 0.536 30 20 JCED CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)Cn4cnc(C#N)n4)CC[C@H]32)CC1 1451450540 SYFQDAUMMMGIFA-HZPDHXFCSA-N 458.523 0.544 30 20 JCED CC[C@H](C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1545699636 ZRLAPIXMZYKJEJ-LZLYRXPVSA-N 463.608 0.662 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1547433182 WJODLLJFYWJNFK-RLLQIKCJSA-N 494.666 0.518 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CC1 1695935256 ZEBMYUDXDZKQRY-LJQANCHMSA-N 466.590 0.796 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1696633064 OLFUJUJXSHAAMN-KRWDZBQOSA-N 490.565 0.458 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CC1=O 1730789258 RQMJIJHAWWVKHR-UHFFFAOYSA-N 467.574 0.959 30 20 JCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1747195054 SWUYMVGNLKHZJG-WOJBJXKFSA-N 458.611 0.934 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1767856488 LVWQAULLFSRWGH-UHFFFAOYSA-N 489.602 0.579 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1779329714 AGASEHDOCNHXSE-BZLDKRAPSA-N 459.609 0.401 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)C1 1780175639 CZHKNNMODIWOBI-HDYOGFOASA-N 468.510 0.708 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780923624 DGSGHDFHBWIBFS-IQMFZBJNSA-N 490.582 0.262 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1781169673 ZPUUMUOSHJUTNU-JPYJTQIMSA-N 464.563 0.649 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c(O)n1 1784112979 HBCXTPQGGYVRFB-QHCPKHFHSA-N 454.483 0.274 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784196664 GNWKCLPKDMLOGV-VPAKFMSCSA-N 483.606 0.815 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1785225944 TWMJWAVCKDJFKL-BTYIYWSLSA-N 452.504 0.711 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1785515200 KEVCMRLXXDELFG-IVZQSRNASA-N 464.519 0.576 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cncn3)[C@H]2C1 1787088819 VLKNXTNJZFSKMF-MUGJNUQGSA-N 488.589 0.955 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]nnc3C)[C@H]2C1 1787188946 ZPKDQTTVYHSGRA-NXOAAHMSSA-N 460.535 0.623 30 20 JCED N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1787398546 CRSSVNZHTZAWIZ-SKHMJCKESA-N 465.576 0.522 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)[C@H]2C1 1787421745 MEKJQYSJYJGGHV-HVTWWXFQSA-N 479.574 0.640 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn(C)c(C)c3Br)[C@H]2C1 1789361793 RNTAKVJDSUYWAK-FCLICNRPSA-N 494.390 0.943 30 20 JCED CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C[C@@H]43)CC2)CC1 1789807382 DZXGEYZZHYPZTR-AAGQDYDCSA-N 477.606 0.275 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1789853764 PSFXQIFOGMLIEC-FHWLQOOXSA-N 495.621 0.789 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790175079 GMMJXVUCMONGJA-IQWQSGHPSA-N 455.552 0.382 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@H]3C2)CC1 1790230081 HSCYPWJPNCAQLN-VCOUNFBDSA-N 487.988 0.969 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)[C@@H](C)S)C[C@@H]31)C2 1790689120 YQUNRSPGQILIPL-IMPIEMTGSA-N 464.588 0.920 30 20 JCED COC(=O)[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)NC(=O)OC(C)(C)C 1791193805 LSZFVFAQMSYNLC-OKYOBFRVSA-N 477.558 0.836 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)c1 1791395229 MDWYWDCHGINKOS-SNRMKQJTSA-N 452.467 0.085 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1792258829 QZTLLSVMBOYLQD-TXTZMMAHSA-N 462.547 0.019 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792272830 XVPOHXMNAWZNTG-YTFOTSKYSA-N 458.581 0.053 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3N=C(C)CC3=O)cc1)C2 1792489779 RJKDTEGLWXAWGE-KALPFLKPSA-N 479.537 0.861 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792561880 FPLBJWHJJSXWMF-MHXAIHSWSA-N 464.526 0.161 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1793387958 WVYJUGSHJZZYDU-CKOFKNITSA-N 471.620 0.902 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1793598694 COBLNHNXJXUMEB-YMQHIKHWSA-N 493.649 0.681 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cncn1)C2 1793600182 YNEQDVYWGNYJDE-DFBDCSAJSA-N 462.551 0.898 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CC(=O)NC2=O)ccc1Br 1793835001 RPSBHTPDPGWXMS-ZSBFGKGUSA-N 490.314 0.076 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Br)ncc1Cl 1794224286 OUBLKXDURWSZKY-WRBXQSRGSA-N 456.680 0.789 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nnc(C)o1 1795787682 AOVCUQWTSIHJCF-RCJHGTSTSA-N 463.535 0.980 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1796334530 IWHCBETXALSBBG-OYSTVDSJSA-N 465.547 0.250 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC(F)(F)C(=O)O)c(C#N)c1 1796353396 QZEMTGORNNTKNN-CCWDJLKJSA-N 451.426 0.809 30 20 JCED CC(=O)Nc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)ccn1 1796744129 FGCAGEAKOXFZON-HATOLVCRSA-N 454.527 0.942 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1797812638 XZGJGHDDUGXFAB-SSJCNKTBSA-N 471.514 0.787 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)cc(OC)c1F 1798545287 QBCAGCIGHWPCTD-VOAUMERWSA-N 461.490 0.905 30 20 JCED CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(CC#N)cc3)C4)CC2)CC1 1799192332 UVIIQTQCNQULLA-KOUNCHBCSA-N 451.571 0.736 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1799320741 NLNKPDKGVRXHDA-KMOPNRPKSA-N 464.563 0.714 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#Cc2ccccc2)cc1 1799613519 FGLHFSDNCYIORZ-STAYPELNSA-N 474.561 0.882 30 20 JCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)ccc2F)cn2[nH]cnc(=O)c12 1799746817 PJKZUKBZUDSODO-CCWDJLKJSA-N 464.457 0.859 30 20 JCED COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c([N+](=O)[O-])c1 1799821903 ZEIMNJMRPMNMHL-HGKCTWBKSA-N 487.513 0.866 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccc(O)nn2)c1 1800207297 KXGJKGTZDHWBOJ-VPTLXERWSA-N 453.455 0.345 30 20 JCED COC(=O)[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2)NC(=O)OC(C)(C)C 1800911087 AFNFGXHOTQQVAC-XYFZXANASA-N 459.565 0.351 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1802125701 OHMLHMAJRVGSDP-WQDJSCAQSA-N 482.541 0.849 30 20 JCED CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1802144180 AKOLWMXTXCVAOT-MXJLVENISA-N 451.520 0.603 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1814062376 GBBFMDBKLBPZRS-SFYKDHMMSA-N 464.526 0.631 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CS(=O)(=O)N2CCCC2)n[nH]1 1818107210 GILHCTWKHGYERE-XZVRFQMRSA-N 478.575 0.686 30 20 JCED COC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819905370 ZUEJUPCDCIHCMT-YPNKTTMOSA-N 467.548 0.735 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1823479272 XMRIRFICSGNLRO-KSSFIOAISA-N 491.501 0.946 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)CC1 1827269640 ZVHCBCKGBOTVQD-RURPWVQCSA-N 489.598 0.930 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc[nH]1)CCN2C(=O)OCc1ccccc1 1828702783 BNQJHUFLJCHRKP-QHCPKHFHSA-N 465.466 0.563 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829049589 HADGKYFPXJLCAF-WWEVIYMKSA-N 488.589 0.525 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829308032 KJOOTYFRPVZLKT-OSPHWJPCSA-N 484.509 0.051 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCc3ccncc3)C2)C1 1829764514 OBKNCAWOOJGIDR-WNWNSBFKSA-N 456.543 0.719 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1829771873 YOGHKTRTLGOFRQ-BNOLWBGWSA-N 479.917 0.680 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1831406197 ZQFGNGZAGQCRRF-QHCPKHFHSA-N 462.547 0.574 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1831425872 GHSYIVVBIHIEDL-CWNBPXTLSA-N 461.515 0.500 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)c1 1831461336 SLZLQPKCYXVBHJ-OPAMFIHVSA-N 479.555 0.318 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2)c1ccc(O)cc1 1831615555 JTPDXRCFCKKJMO-DMJCMNNJSA-N 471.554 0.857 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1832000134 HVZGPAUJJWDXKZ-UUOWRZLLSA-N 496.605 0.684 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832079543 BEEVZWBEACPIII-XZOQPEGZSA-N 479.530 0.320 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](NC(C)=O)C(C)(C)C)CC2)CC1 1833400395 ZFYLUCIJWNGLNH-YLNCNTMDSA-N 475.634 0.967 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(F)(F)C(F)(F)C(=O)O)CC2)CC1 1833660181 GWNGWXPCUPLNTC-CYBMUJFWSA-N 465.444 0.952 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(O)nn4)CCO3)C2)c(C(F)(F)F)n1 1833831158 XRGDGLSUODJXIR-FQEVSTJZSA-N 492.414 0.851 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834196687 RXHMPIVCUSKDMR-BXKMTCNYSA-N 488.541 0.774 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nccn(Cc5ccc(F)cc5)c4=O)C3)C2)CC1 1835341171 RMSKHTUUASMFIN-VWLOTQADSA-N 495.511 0.804 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1 1835399749 LLLVVODRTUWIGY-YADARESESA-N 456.543 0.716 30 20 JCED N[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1cccnc1 1835834503 SGDXGBDXXSHLPP-BGMPOOFKSA-N 475.546 0.457 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1837393175 MUIDLRYDTRMCNC-VGOFRKELSA-N 465.572 0.507 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@H](C(=O)OC)C3)C2)C1 1837403674 XPQKPZMSLAWSNA-RAZUEPIFSA-N 466.575 0.995 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCC#C[Si](C)(C)C)CCO2 1837430359 NJOAIMAWRZCBQN-JOCHJYFZSA-N 482.723 0.978 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1837524468 HZGSHXUPWVHCLC-WWCXEQRYSA-N 450.467 0.820 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nc2nccn12 1837565565 WNFYMFWFGYETRV-JJDHCWFKSA-N 466.498 0.820 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567483 MVFLRBAUTKRNNN-MWFLLRNESA-N 482.537 0.973 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)N1CSCSC1 1837572764 QCZAGBLUTYKHFT-MYRHLRDYSA-N 485.676 0.958 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1)c1ccccc1 1837615820 NKQGCWOZSZUGHZ-PTLVVNQVSA-N 466.542 0.888 30 20 JCED N#CCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)cc1 1837883217 WPSUWGMGFXEVGC-OAQYLSRUSA-N 455.559 0.958 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838118651 SZDCCLLYAOEJJW-NTKDMRAZSA-N 469.542 0.910 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3oncc3C)CCO2)C1 1838402597 KUQDGNLZZHUVRT-SBUREZEXSA-N 476.530 0.970 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(OC)cn4)C3)C2)c1 1838580646 PAOZDZCHQQHYOS-QHCPKHFHSA-N 467.482 0.749 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1 1838830908 SQEXCFNKBWUZGY-JPHKLTHBSA-N 477.518 0.474 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Nc4cnccn4)C3)C2)c(C#N)c1 1839132476 HQETUTNEDWIAKF-IQGLISFBSA-N 494.552 0.856 30 20 JCED CC[S@@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839133123 ZSSXCIPIMRJUKX-FLASPHMUSA-N 477.583 0.724 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839185631 GNVHAZHHWMCDQH-UAKAABGRSA-N 496.605 0.025 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)c(NC(C)=O)c1)CCO2 1839402116 JDQXRTRCWGURKR-UTBBOMKLSA-N 484.553 0.882 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c1 1839453765 CGEWWDJEADDLPG-XZOQPEGZSA-N 459.499 0.553 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839513144 UYNAUBUOCJKZGW-XMMPIXPASA-N 482.541 0.687 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)n1ccnn1 1839704701 BTWWGFPZSGUWOK-JPYJTQIMSA-N 452.515 0.800 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839717818 RJWRYPPWVDZGET-FQEVSTJZSA-N 466.516 0.132 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC4(CCN(C(=O)OC(C)(C)C)CC4)CO3)C2)C1 1839805250 FYPYXMFFJIXBTJ-KBMIEXCESA-N 491.585 0.882 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1839842544 YNSKJYAWPDMFHX-DYESRHJHSA-N 457.593 0.327 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C(F)(F)F)cn3)C2)C1 1840041089 PRFSLCTUVWNVKB-FQEVSTJZSA-N 469.416 0.577 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1840175959 OQRJQCQYTKGMHC-FDDCHVKYSA-N 477.562 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccc(O)c1)CCO2 1840264795 BJCCCFWKHKLLNK-QZOBCFMQSA-N 457.527 0.640 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840292055 UQPAJWKXABHFJP-DVECYGJZSA-N 481.590 0.912 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820005 SMMBINPONYUBMP-DEOSSOPVSA-N 466.494 0.406 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840839717 BFRYYMSKXXJFJK-AXHZCLLHSA-N 479.574 0.474 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)c3ccccc3)CCO2)C1 1840901877 WVCTWSOHVFPPSE-AOUJKTHWSA-N 473.570 0.834 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843007988 KNTGCOVWJRPIMB-AWEZNQCLSA-N 471.518 0.704 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc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c2sc(=Cc3csc(Br)c3)c(=O)n2C)CC1 502049195 ZJSKUHDJPLSFKK-UHFFFAOYSA-N 467.414 0.938 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(F)c2)c1=O 523477707 SYKFECSCBFIMMN-UHFFFAOYSA-N 458.559 0.753 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3cnn(CC)c3)c2=O)cs1 523855529 NYDLGTQIIOLNKB-UHFFFAOYSA-N 470.580 0.496 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccsc2)c1=O 590995965 CPYIVUJYDDOGPW-UHFFFAOYSA-N 478.665 0.676 30 20 JCED CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NCCOC)n(CC(=O)N(C)C)c1=O 604270445 OSKFVAINTHSKGH-UHFFFAOYSA-N 482.562 0.572 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(C(N)=O)cc1 608828391 SDCMYEBNTOIYSZ-UHFFFAOYSA-N 477.502 0.934 30 20 JCED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 609128845 PJCPTQJCLUJZPZ-FQEVSTJZSA-N 451.531 0.811 30 20 JCED C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)n1 746391464 GIHYLMSARSSGKK-AWEZNQCLSA-N 477.616 0.919 30 20 JCED COc1ccc(Cn2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 837968265 YTINNQVBSFFKMW-UHFFFAOYSA-N 465.535 0.062 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 878407042 JPXOXWIVUBIKIL-RDJZCZTQSA-N 456.542 0.083 30 20 JCED CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 913174136 WYZOJOXYODGDKC-AWEZNQCLSA-N 452.489 0.069 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 913242608 IIVQDZSRGGAWMH-GOEBONIOSA-N 451.501 0.570 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)c1 917732588 AJDWQHKLYLBIAI-UHFFFAOYSA-N 493.563 0.996 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 917748248 AUPZJYKSXCXZMG-JZJYNLBNSA-N 472.570 0.948 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCN(c2ncccn2)CC1 918623241 LBFXLFLNOFVRJD-LJQANCHMSA-N 485.614 0.868 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCN(c2ccccc2)C1 918873193 ZORGIDRALIGHQQ-INIZCTEOSA-N 456.524 0.911 30 20 JCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1OC 919227443 RVJVNEGREFBVJB-AWEZNQCLSA-N 469.516 0.642 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN(C)CC(F)(F)F 1288861595 BNKMIOYDRCXMLT-UKRRQHHQSA-N 478.545 0.559 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1295490978 LJFYQTXRZSXWET-RUZDIDTESA-N 497.600 0.871 30 20 JCED CCNC(=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1296265562 ZSFQJQNSBRFYJV-QRWLVFNGSA-N 483.570 0.359 30 20 JCED COC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1554722113 ZNRGFGMLPHQLDB-JKSUJKDBSA-N 454.553 0.299 30 20 JCED CC(C)(C#N)CS(=O)(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1561333123 MRJLBGZPAPWEIM-UHFFFAOYSA-N 450.583 0.433 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C1CC1)N(C)C 1611705776 YUVCJABZAVUNLA-APWZRJJASA-N 487.634 0.822 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1612978164 MUHAPKZFVIXYSP-INIZCTEOSA-N 461.544 0.894 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1696490302 AZYKJCPDEKTILG-MRXNPFEDSA-N 472.637 0.982 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1=O 1722871296 ZQIANTAUADEFLF-IRXDYDNUSA-N 467.596 0.609 30 20 JCED CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1741270469 KPGRUHFAEBKGIM-QFIPXVFZSA-N 472.571 0.671 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760307876 WYTIYQDEUXLMLR-GUYCJALGSA-N 491.412 0.482 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1779538053 ILHGCKDLOMPRTC-HMECNJMJSA-N 455.437 0.741 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)ccc12 1782010689 VJFVNAPMVROOSX-HOYKHHGWSA-N 482.493 0.727 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)[C@@H](C1CCOCC1)C(=O)N3)CCO2 1783564842 NOFIXSWBACSVSI-RCZVLFRGSA-N 481.505 0.680 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783897602 CMQFXSBNBDBBQE-JZKQVHKSSA-N 459.565 0.591 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)[C@H]2C1 1784122279 KJBICKLQQUKZBJ-AINOVGTFSA-N 491.610 0.680 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)[C@H]2C1 1784195565 YWMJEFJXTUGBDE-WOYTXXSLSA-N 457.593 0.920 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784501822 WHJXYQCPOCTKOT-JBFGMIDGSA-N 460.531 0.564 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785029969 WWRICATVULOXLS-BZSNNMDCSA-N 462.623 0.569 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)C3)C2)CC1 1785245333 IGGMYGCNXPGFKE-QHCPKHFHSA-N 488.566 0.455 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1785367590 YGNFCAWQHCMJOR-DGGJZMOXSA-N 462.547 0.738 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785465131 WTUBJWHZMAIPLG-PKTZIBPZSA-N 463.531 0.942 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1785596759 XCWUWTYNAWTHOF-UOIPHLHCSA-N 476.574 0.907 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)c(C(F)(F)F)n1 1786841259 IDSRCHSCXHBXLX-RCBQFDQVSA-N 479.463 0.405 30 20 JCED COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)n1 1787637111 YMQINYWYCZEVQV-SUHLBEFOSA-N 463.535 0.652 30 20 JCED COc1ccc(CNC(=O)CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1790653708 XENQFARAHBRKIQ-IHPCNDPISA-N 471.510 0.159 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1790707406 SXBGXWGNIUWTFQ-FJIDUMEYSA-N 479.578 0.641 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)Cc4ccnn43)C[C@@H]21 1790788712 GETASSGOPNDABT-WNHJNPCNSA-N 457.531 0.788 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C[C@@H]21 1791260174 JJENUWNECZYFHA-OWSLCNJRSA-N 489.635 0.842 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792110248 NZGBLVKAPCZEJS-LFDJNIOPSA-N 466.579 0.960 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1792258474 GLDASJNLANFDSB-XSLAGTTESA-N 485.603 0.317 30 20 JCED COc1cc(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CCC3)C4)CC2)ncn1 1793133638 PBNOLZOYVGUCTK-RMFSNUHRSA-N 468.558 0.985 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796074146 DZQPZJIWQQCWEP-MVJTYMMSSA-N 455.602 0.784 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)c1 1797810203 LGGBBONIIXYMLZ-QIUKAFMCSA-N 479.555 0.822 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1797835916 OUVTXYFYHPMJIC-NQVRDEPNSA-N 492.532 0.903 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798598710 BBTHTNYJEVHAJY-MVJTYMMSSA-N 471.514 0.455 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)cc1 1798694029 SGHDUGOPQXAGLS-UPHUGPLXSA-N 456.524 0.736 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)C1 1799199330 YFLZMRWZBXQAEN-FPQOSCNCSA-N 483.565 0.856 30 20 JCED COc1nccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1NC(=O)OC(C)(C)C 1800777807 DKTVGFXMVLQIQZ-ZSBFGKGUSA-N 488.497 0.728 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800778960 YYEAJSKUHQYGMY-LJCCNALRSA-N 463.531 0.701 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@@H]1c1cccnc1 1802498630 OQTKYSZSHFJBFH-VKRNSVOSSA-N 467.448 0.624 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1803567097 KODSLSCOMVIREE-XUWXXGDYSA-N 452.475 0.118 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1805276840 CFIRYZFWLJHMFW-WGLOFEKDSA-N 497.614 0.968 30 20 JCED Cn1ncc(Br)c1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808927202 OBQPMEMXDGGHAZ-SUMWQHHRSA-N 460.288 0.985 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1810387411 FEDCTGZFOJXURQ-OKEGVBJISA-N 487.582 0.530 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1812350904 HQYJYHALXKGQBV-LAUBAEHRSA-N 467.530 0.944 30 20 JCED C=CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1813060925 LOULTPBNXLXNBP-UGNRZPKXSA-N 471.583 0.844 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)CC1 1814035871 BGQFMILRRSXARX-CVDCTZTESA-N 499.568 0.728 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814813378 HAQAYOWZHJDOGI-YDHLFZDLSA-N 492.602 0.565 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1828026327 CERLRZKHIGSRPW-ZDUSSCGKSA-N 468.495 0.558 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828974576 PGVRAJHWOKEIFN-YCRPNKLZSA-N 462.576 0.240 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1829267475 QEUHQGLFUURXIM-NTKDMRAZSA-N 452.511 0.598 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccc3C)C2)C1 1829764647 RWMBKBSYYIGAAL-ZKWSMMDQSA-N 456.543 0.637 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1831316313 AQYZJMYRDHNUHC-JTSKRJEESA-N 498.001 0.476 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831340192 DYIAUJUWXZXKOW-OAQYLSRUSA-N 465.528 0.072 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)C1 1831386584 AUMVKBZLZMYMPF-ZHRMCQFGSA-N 455.511 0.674 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1831396796 KDQMYWDPXKUTAZ-GAJHUEQPSA-N 469.498 0.548 30 20 JCED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CCC1=O 1832375039 PGUWLSHVWIETDC-HVPBSWBLSA-N 474.539 0.552 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(-c3ccccn3)nc1)CCO2 1833289111 IQLXBZKAOYYZEO-CVUHLLMESA-N 492.536 0.467 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1833448887 OJNQHOATESQBLP-IAGOWNOFSA-N 458.625 0.477 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833615383 SHWKUKASSZBDLS-NTKDMRAZSA-N 489.573 0.789 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833837407 AIXRNRGQWJXJTQ-QMHKHESXSA-N 489.529 0.169 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835495111 XOZCYWZDLWUVOL-WZONZLPQSA-N 453.499 0.376 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1835672747 LJMQVRVUSLDABK-JOCHJYFZSA-N 462.526 0.778 30 20 JCED CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836320454 DEKJCJWUFHAVNL-IBGZPJMESA-N 469.420 0.178 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836477000 QZFKQQLMOCRAAH-BSRJHKFKSA-N 464.563 0.440 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3Cc4ccccc4O3)CCO2)C1 1836647646 NTBDZVFSVYRUPR-GBXCKJPGSA-N 456.543 0.728 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837296511 DRSHOJWZIBZRBL-QCYAZGCDSA-N 482.493 0.890 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1837447292 WWBPDANCPUEZBH-RWOVVYLESA-N 454.531 0.876 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)c(C)n2n1 1837491482 OAGXFYNLBLVYSQ-RUZDIDTESA-N 496.568 0.510 30 20 JCED COc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1F 1837526251 CHUYWMJWDQGDLU-YAGIXUNFSA-N 480.493 0.828 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951535 URVDTKTUJPXBFZ-HXOBKFHXSA-N 450.499 0.919 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1839130892 ZOIJESSWUGBIMN-GLDPYIMESA-N 494.589 0.274 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1839186037 WQWKQKHQJCDDCX-OPAMFIHVSA-N 479.534 0.999 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1839223143 NZZPDYXNYDFMQO-QVKFZJNVSA-N 478.575 0.899 30 20 JCED C[C@@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401068 OJAKVQNSXYMPDL-XOBRGWDASA-N 465.348 0.986 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)ccc1Br 1839401700 WLHMLLAFJGGRGT-IERDGZPVSA-N 491.342 0.527 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839710851 JSZMPDVLXXDFLF-PMAPCBKXSA-N 492.577 0.765 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(CC)COC1)CCO2 1839779836 QNBNRMWHMHJVEL-HOYKHHGWSA-N 479.574 0.786 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1ccc(O)cc1 1840220932 KYZDOCNYKVFUIC-FGJSELGCSA-N 471.554 0.068 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2cncn2)CCO3)c(O)n1 1840416833 YFKUDPYZDKIGPC-GAJHUEQPSA-N 470.530 0.829 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840453340 HUSZWHPJODBFNF-HQGJICSSSA-N 459.547 0.777 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840856164 HBHGIMCNNVGTGP-HYBUGGRVSA-N 472.542 0.698 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840909084 MIIMIWYBWPVCAK-UZUQRXQVSA-N 489.529 0.169 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1 1840912417 HGEANOMETPZDEO-NLSFWIRASA-N 466.579 0.474 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(C)(C)O 1840916651 WFCQHBPHBQPIBX-WAIKUNEKSA-N 480.562 0.411 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O 524281303 PTPKSPNIJXGHLN-UHFFFAOYSA-N 465.304 0.102 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cc1 558610877 LVCBGFSJXAQEHS-UHFFFAOYSA-N 463.515 0.806 30 20 JCED Cc1ccc(C)c(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccn3)c2=O)c1 603788685 ZEVWZUYCERQAIA-UHFFFAOYSA-N 489.601 0.862 30 20 JCED N#Cc1ccc(N2CCC(NC(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)CC2)nc1 608969763 KUDWLAPYHLWCEC-UHFFFAOYSA-N 470.555 0.836 30 20 JCED N#CCCSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 609402931 UTRXUIIUXCONQP-UHFFFAOYSA-N 491.551 0.856 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)CCc3ccc(OC)cc3)CC2)c1=O 725775877 KCOMEVVXMSIABL-UHFFFAOYSA-N 483.569 0.677 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccnc(C)n2)C1=O 726404462 YIHGMSXGYDKFIW-JJXNMMKVSA-N 462.557 0.569 30 20 JCED Cn1nc(Br)c2c(=O)n(CC(=O)NS(=O)(=O)c3cccc(C#N)c3)cnc21 727231741 GFWVQVLDHQMKNT-UHFFFAOYSA-N 451.262 0.269 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CCS(C)(=O)=O 729671931 XNXIMWZSLHSKQJ-UHFFFAOYSA-N 481.983 0.422 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)COCC2CC2)c1 749043011 LIPYFQRGHVABBA-FVOSJULTSA-N 452.533 0.342 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(Cc3cccs3)CC2)cc1 794251148 VYUZRHVBGZPPOW-UHFFFAOYSA-N 462.553 0.786 30 20 JCED CCNC(=O)CN1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 916694752 VLOYRVHTMHBVRA-PTGBLXJZSA-N 450.565 0.785 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)N(C)C)CCCC1 1286968259 JSZZPYJLDKNCDF-IRXDYDNUSA-N 481.623 0.855 30 20 JCED Cc1n[nH]cc1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1510437362 QYKYMMCCQOLPHG-WMLDXEAASA-N 450.569 0.871 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CCO1 1554452072 UNCNHMJFQFLHLR-HXUWFJFHSA-N 483.573 0.791 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1555558242 PGSMRVFUBBNTBW-SFHVURJKSA-N 452.581 0.805 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCOCC2)CC1 1691005316 ZCDHKTOABZDTAK-SJORKVTESA-N 467.596 0.072 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1C[C@@H]1C 1751233741 YRMVHNYYPSWLLC-VGWMRTNUSA-N 459.580 0.921 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1778788451 ZLNYXFSSWOJUNL-KNQAVFIVSA-N 460.487 0.004 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778916594 PVHHERNAQSJWCO-XLNZFTOWSA-N 473.574 0.717 30 20 JCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1782175930 CAHMWZNTCZGXMV-FWSLATNXSA-N 463.600 0.998 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)c3cc(=O)nc5cccnn35)CCO4)c2c1 1782196987 VWRCVHNRGUQWPX-DEOSSOPVSA-N 484.476 0.595 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782682520 JNHXHMOBRJZVGB-HJPURHCSSA-N 489.529 0.308 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc3nnn(CC4CC4)c31)CCO2 1783047394 BHHSRHBBEZZJIR-AVRWGWEMSA-N 498.584 0.986 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1785428737 IZAGJICPPHRTLE-YRAONVGVSA-N 477.583 0.907 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)[C@@H](O)C1 1786702096 ZVUUVJSYZXKINF-PJVZLEMVSA-N 464.563 0.888 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787496420 WWQNQDLOGGGCRU-YYAZMQDUSA-N 464.592 0.240 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788638212 XPRCNEHBJLPYSO-MUGJNUQGSA-N 454.520 0.444 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21 1788658173 GAGMCKCQBDDMHI-VQMJWWPRSA-N 456.503 0.852 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN(C)C(C)=O)C[C@@H]32)c(C#N)c1 1789840327 XOUYTIXQUSSNHM-NYVOZVTQSA-N 456.543 0.957 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789929200 LQZOSQUMXYXNEC-VJANTYMQSA-N 497.589 0.751 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1)C(F)(F)F 1790177370 QSBPUOYCDBXNJP-ABHRYQDASA-N 451.442 0.928 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(=O)n2C)c(C#N)c1 1794587239 ZBLLYLSTQPUIQD-FEJSZKPUSA-N 450.495 0.711 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795416455 UCIRWXJPLUBGBY-SAOALYKGSA-N 464.563 0.888 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CO2 1797450497 GJYLZILNBAABOF-VPTLXERWSA-N 457.483 0.730 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798500253 RVYNQEYZRDZIEM-ARDIJPHCSA-N 460.535 0.624 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798573868 XNOHIYRRHDJYBC-UEILYKACSA-N 464.544 0.098 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1799320521 GULCQYMIEZMWSH-DFGXFYAUSA-N 473.592 0.480 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(F)ccc(OC)c1OC 1799659046 ZIIYIVYHBGTZCH-GNGABJRFSA-N 461.490 0.905 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1800908846 BZJFZJFBSOEMPH-OGJJZOIMSA-N 481.546 0.071 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1800944843 HODWCKYONOVLSH-IBEHDNSVSA-N 493.648 0.222 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1800999382 NENJFIMEHSJCAU-ZMMAXQRCSA-N 480.610 0.699 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1803506258 IHXBKUDUEIPHQK-OQIJWPOYSA-N 466.604 0.988 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@@H]1c1cccnc1 1805167747 GCXWNOONBKQFRD-UUOWRZLLSA-N 490.520 0.211 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1807141434 APBWEVNXXLKEEZ-PZJWPPBQSA-N 490.630 0.100 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cn1 1807917147 PGXWBHDEAWXKRQ-IERDGZPVSA-N 470.507 0.429 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)ccc1F 1808559676 FKHWQTLMZSUFSK-WUMKDDEVSA-N 481.528 0.991 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCNC(=S)NC)[C@H]1c1cccnc1 1810310197 UZIHQIBJBVHSRH-GFCSNGQLSA-N 458.588 0.430 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1810331446 ONOHXEBNTSEQJM-WAOWUJCRSA-N 467.526 0.384 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2c2cccnc2)c(C#N)c1 1812392666 ULNQSHBHGDFYHJ-WZONZLPQSA-N 493.520 0.753 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1812872805 IADNXTJNDPHJCR-LVCYWYKZSA-N 486.525 0.811 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1814976419 MJVZOWRBPXXXHT-NSHDSACASA-N 469.531 0.382 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829051037 WPPHNXZUSAFPSF-WXVUKLJWSA-N 457.575 0.937 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCN2C(=O)OCc1ccccc1 1829211533 AZWFXCPPSQOCLL-RLWLMLJZSA-N 481.597 0.708 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1829266761 DGKQVKCSXAOXQN-JOCHJYFZSA-N 459.524 0.890 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)Oc3ccc(C)cn3)C2)C1 1829769544 ZDKQBDQZJHOTQO-NAFJXCGOSA-N 486.569 0.862 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NNc1ccccc1)CCO2 1829807796 DKTGNHMFEFUUGN-CYFREDJKSA-N 474.558 0.957 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904023 KNDZZTCLAZOROD-MHECFPHRSA-N 456.543 0.862 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCOC[C@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)CC1 1830052888 ARAWUIUGTWZNCN-QHCPKHFHSA-N 494.589 0.755 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]3C[C@@H]3N1C(=O)OC(C)(C)C)CCO2 1830747765 NDUMCWJFQAKLRU-RSPJHRDISA-N 491.585 0.879 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)CCO2 1830838448 QSZIKSBROHTFQI-SANMLTNESA-N 481.549 0.862 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1830853807 WBWIHAUYOXFWKZ-MHECFPHRSA-N 493.557 0.568 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)CCO2)C1 1831139119 NJMSSCMQXHZXHZ-HOYKHHGWSA-N 477.558 0.658 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1831412968 KJTFTINVXZBOHN-VNXZQDSDSA-N 450.532 0.769 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1831998309 MMWWGHHTWHUFAZ-GAJHUEQPSA-N 477.562 0.960 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)c1 1833399829 GLVZYEZXXMNMJE-QHCPKHFHSA-N 484.534 0.741 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)nn1C 1834125228 IOBWYOMIGFYAPP-QHCPKHFHSA-N 453.499 0.749 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1)NC(=O)OC(C)(C)C 1834403163 NQQPXBDPFYIODM-GOSISDBHSA-N 479.578 0.928 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cc2NC1=O 1835677400 HPEXYHJUHLDKIQ-GKVSMKOHSA-N 499.568 0.758 30 20 JCED NC(=O)c1ncccc1C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732236 WCIGLNNOCPHXBT-WPWMEQJKSA-N 469.590 0.837 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835973773 SDQXCKKWTBXTQF-TZAXTDOBSA-N 469.926 0.522 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837159708 BOYHYSSNJNPEMN-XQHLYRQSSA-N 471.514 0.933 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1837397177 RWTWRQNGVQSXIV-UZUQRXQVSA-N 457.531 0.681 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1837401138 VFJJVOKCAXVZJT-LLJLJFOGSA-N 499.605 0.292 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837444093 YEROTPFLZPDIOQ-SGCYSOCQSA-N 455.519 0.271 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)C(F)(F)F 1837524594 JYXTVEGOZDOTGS-SZEFXRTJSA-N 467.441 0.285 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)C(F)(F)F 1837524598 JYXTVEGOZDOTGS-ZAZREYHOSA-N 467.441 0.285 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1837525685 OMDCLFRCHKRGKT-QVJNVZBHSA-N 477.514 0.756 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)ccc21 1837563118 JSXIAMNHRPMZIS-NGCBVDFASA-N 495.536 0.659 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837881506 ZLPUNHFEQXCHML-HXOBKFHXSA-N 473.530 0.463 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1I)CCO2 1837963312 IUHJVCUFLSGBAP-MRXNPFEDSA-N 473.271 0.388 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncnc3C)CCO2)C1 1838100146 VWJABZQDLZBWAM-DVECYGJZSA-N 487.557 0.772 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ncc[nH]4)C3)C2)c1 1838584489 YHMJOSHXFZOMJV-HSZRJFAPSA-N 453.499 0.993 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C(\C)NC(C)=O)C3)C2)c1 1838585073 WZTVEOAPVCFVGS-SICWBLJQSA-N 456.499 0.677 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774248 UOHNURHMDQYBFI-LJQANCHMSA-N 475.542 0.990 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838827262 BYLDLMCNFITHIZ-HXUWFJFHSA-N 450.448 0.502 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1C 1838833960 AODMNPPOVRLESE-ZISMNVMJSA-N 465.507 0.028 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)c1 1839419737 SGLOIYCJYOJBPK-DEOSSOPVSA-N 481.484 0.592 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c([N+](=O)[O-])c1 1839462149 KMLNBUXJBIUNNC-RNODOKPDSA-N 467.500 0.770 30 20 JCED Cc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)c1F 1839487377 FSUBCFCOASSMMK-QFIPXVFZSA-N 467.461 0.989 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2)C(F)(F)F 1840371874 GNQGGTSBBDEZSM-APWZRJJASA-N 473.452 0.032 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CC)NC(=O)OC(C)(C)C)CCO2)C1 1840804225 ZSINODXZVGLDNP-IEGUWTFLSA-N 467.563 0.784 30 20 JCED Cc1nn2cc(CC(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)nc2s1 1840812492 USEVZIIRAJBXQP-OAQYLSRUSA-N 458.544 0.792 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1 1840907605 ZAZJYGRWJQSHEM-GAJHUEQPSA-N 475.546 0.407 30 20 JCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CN(CCO)CCO)C3)c(C(F)(F)F)n1 1843169681 QKLSNEXJVZHZBJ-UHFFFAOYSA-N 455.437 0.076 30 20 JCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2)NC(=O)OC(C)(C)C 1846936739 CTIZTNVRZNRGDM-IEBWSBKVSA-N 466.579 0.700 30 20 JCED N#Cc1c(CCCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)nn(-c2ccccc2)c1N 33022443 NHFKQJAUQINOKA-UHFFFAOYSA-N 472.303 0.688 30 20 JCED N#Cc1cnc2ccccc2c1N1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 501120928 LAVFPKJAUSVPCK-MRXNPFEDSA-N 456.528 0.241 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 502045267 PVSQQQKADVMKAU-UHFFFAOYSA-N 481.534 0.059 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)C1=O 510239335 UENVCFKBQGJKTL-UHFFFAOYSA-N 464.500 0.785 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(NC(C)=O)cc3)c2=O)cn1 523863099 MZXFUTCFIPDNEL-UHFFFAOYSA-N 462.535 0.855 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCc1cccnc1 524334125 IRPPGADCIRLOER-UHFFFAOYSA-N 455.565 0.578 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(CCc2cccnc2)c1=O 524344292 JOIKNZQLOULETC-UHFFFAOYSA-N 460.519 0.693 30 20 JCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 604017901 NBAFVBUPJYAKQD-GFCCVEGCSA-N 453.464 0.891 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCNS(C)(=O)=O 608912118 FAJYGXYOKLAXMF-UHFFFAOYSA-N 492.623 0.195 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)c1 769842681 HFNIULQZMHHNML-SFHVURJKSA-N 497.595 0.728 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 916710293 FQINQECLFCPJPF-CLCOLTQESA-N 490.586 0.798 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CCCN2C(=O)CCC2=O)CC1 919155773 HKZOIMWJTNVJCE-UHFFFAOYSA-N 469.454 0.927 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1301809894 RLMNMXYPVCNSJP-CVEARBPZSA-N 458.610 0.873 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1360695309 TUWGZUVKBBNMDO-RHSMWYFYSA-N 458.610 0.986 30 20 JCED COC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503904222 TVWROJYUOWUEGN-OAHLLOKOSA-N 462.580 0.907 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 1544085115 NLMQRUBSSNIRAT-CQSZACIVSA-N 450.542 0.792 30 20 JCED CCC(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1613508732 RSRUPJVAZUFYFP-UHOSZYNNSA-N 483.639 0.754 30 20 JCED C[C@H](CN1CCCCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1692737254 ROUIZYOYWADXCP-QRVBRYPASA-N 481.623 0.462 30 20 JCED Cc1nccnc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1707794999 RMJCGPXKBMIHPZ-APWZRJJASA-N 464.527 0.394 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1729374038 USJSFGBPGVSMNS-UHFFFAOYSA-N 472.571 0.937 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CC1 1765633556 LJGZWMJMRVWITH-UHFFFAOYSA-N 452.563 0.847 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cnc2s1 1777988643 QOFOGBFECLQYMV-XUHCNCODSA-N 472.571 0.980 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1778979778 PUDSQCBBVUVXBW-HKARXFIJSA-N 469.579 0.665 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)c1 1780170087 ZZDNZFCZPVVWPV-JOCHJYFZSA-N 485.522 0.476 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C3)c(Cl)c1 1781107276 XXWRFHMDLHTVED-JBYIUTFZSA-N 461.950 0.932 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781165797 XUHOPAHVHKQLGT-JTSKRJEESA-N 475.550 0.200 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1783478927 TWMNVHOPKPRYHF-JHWSBEJJSA-N 464.563 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(NC(C)=O)n3)C[C@@H]21 1783529042 AIFGWLVERVKORS-UKKVWMJBSA-N 455.515 0.492 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1783583185 LKYQUUAFXZWEPT-PLNSCZHZSA-N 469.604 0.893 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783993551 ONPSOIBFQCGTMW-IECFSIQFSA-N 469.579 0.425 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1783993598 PQWUUFCXXGOEML-MUGJNUQGSA-N 493.601 0.550 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)c1ccc(O)cc1 1784014681 QNJUMGBUMPCYRQ-UUOWRZLLSA-N 471.510 0.262 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc(C)c(O)nc1=O)CCO2)c1ccc(O)cc1 1784022031 KQNMUIBKGSVVCP-IBVKSMDESA-N 494.548 0.990 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1784484793 CDBBGDYYRJHZAZ-JZCOGDJRSA-N 479.574 0.232 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1784785666 LBWUKHLLMWGNPD-QAETUUGQSA-N 452.552 0.524 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369258 FJYGCPJGWCBGSD-QFIPXVFZSA-N 453.536 0.206 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785370721 NBPOFBLCTFCODN-OYHNWAKOSA-N 463.535 0.279 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1785728057 OXWXAVIACAXNPR-JPYJTQIMSA-N 473.530 0.966 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786884753 LBKWFBAHDWRYRK-JCECYMMASA-N 481.594 0.028 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1789935645 NZAULMROUDDLEK-YVSFHVDLSA-N 452.552 0.792 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c4c(nn3C)CN(C(=O)OC(C)(C)C)C4)[C@H]2C1 1790522689 NLYDGDLSBZFHQM-MPGHIAIKSA-N 457.531 0.897 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072312 BERTWTYJTURSAA-TXTZMMAHSA-N 463.531 0.748 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]3C2)c(C#N)c1 1791312777 VFMOXZQHTUVHEC-WBAXXEDZSA-N 482.459 0.768 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21 1792259132 ZBRPZUHTFAYPKU-QAETUUGQSA-N 450.536 0.148 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C1(C#N)CC1)C2 1795413155 SPYHOSNXPQFUKZ-XLMAVXFVSA-N 455.515 0.516 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nc(C)no1 1795818182 UVYSKBZTEZOHCS-RCJHGTSTSA-N 461.519 0.427 30 20 JCED Cn1ncc(I)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1796746347 NFNCGGFANLRVQP-PTEHBNRSSA-N 471.299 0.778 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Br)cnn1C 1796748834 NLFYIRABQCQJSG-NEBZKDRISA-N 455.353 0.959 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 1797248884 NIIJRNULVVGIJZ-JHDGKUDLSA-N 483.521 0.713 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cc(Br)ccc2n1 1797477083 UMAYDMDITIVTHU-KSPBDQMDSA-N 461.272 0.388 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1797792065 YMGKSBJDNXNXKL-TWWGPRNNSA-N 473.482 0.021 30 20 JCED O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)NCc1ccco1 1797892832 VXJWVNVHGUNKPT-YEKKINBWSA-N 474.514 0.571 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](COC)NC(C)=O)N(C(=O)OC(C)(C)C)C1 1797971191 NCYZEWFXWKUKIL-WPVAHCMFSA-N 494.589 0.293 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnn5ncccc35)C4)c2c1 1799882525 SVNAEEQEKQPVCQ-YVWYUNDQSA-N 456.466 0.994 30 20 JCED COC1(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)S)CN(C(=O)OC(C)(C)C)C1 1800985942 RHZWJIFTWXPHJY-PNBKFKSVSA-N 457.593 0.920 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)OCC(F)(F)C1 1801988985 WRDFRLWCFIGEQS-QKPAOTATSA-N 485.484 0.984 30 20 JCED Cn1c(=O)n(CC(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c2ccccc21 1809537725 YSQHVPJUSHZYJC-GAJHUEQPSA-N 461.478 0.529 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)cc1 1814487576 BWFBHPBLGNTABD-CYBMUJFWSA-N 461.521 0.789 30 20 JCED C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1815799344 FATLCORFRVMVAE-AAEUAGOBSA-N 474.547 0.167 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)Cc3cccnc3)sc2C1 1817184045 YFCTWLWZLRZTAZ-KTYGHDLGSA-N 454.556 0.879 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1819452295 JIFUUHUUWNJPIE-QGTMMCOLSA-N 483.489 0.976 30 20 JCED Cn1c(=O)c2c(CC(=O)Nc3cc([C@@H]4CCCCN4C(=O)C#CC(=O)O)[nH]n3)csc2n(C)c1=O 1820687254 ZVUDQFWOGKMIRS-AWEZNQCLSA-N 498.521 0.345 30 20 JCED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1823418637 TUOGZEQIIGCXEQ-HNNXBMFYSA-N 466.502 0.263 30 20 JCED O=C1NC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCN3C(=O)OCc3ccccc3)C2)O1 1828571480 KRHVTYZTPMSOTG-CPJSRVTESA-N 480.521 0.960 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)O)CCN2C(=O)OCc1ccccc1 1829321459 FSHRQHKYJQJJGG-RCAXOHPUSA-N 484.553 0.678 30 20 JCED CN1CCN(c2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)cc2)CC1 1829695167 HDETXNWUXMPUID-VWLOTQADSA-N 467.570 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 1829776941 KEUWIHLSYVOPFG-UZQCKINESA-N 490.488 0.591 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COC(C)C)CCO2)C1 1830022490 HEXDJPQVHLQSPK-JPYJTQIMSA-N 467.563 0.784 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468445 LTZPMWNTXXSEAI-HSZRJFAPSA-N 483.912 0.351 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1830514226 QQIHZVQNJDXIHO-PNLZDCPESA-N 455.552 0.683 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)C(C)(C)C)CCO3)c(C#N)c1 1830631297 VMYHWZOBPOHTFL-QPPBQGQZSA-N 459.543 0.973 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1831493092 QAHZXXWMCPTFRY-XMSQKQJNSA-N 489.635 0.939 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832496970 KCFVPTZNEXWEKL-RGIPFKFQSA-N 489.525 0.812 30 20 JCED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1832547632 IKMNHOZPWJWLPJ-DGGJZMOXSA-N 477.514 0.000 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1nnc(C)s1)CCO2 1833016375 BSLUEOYBJKZMDS-CIRMQIMFSA-N 463.560 0.094 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833596228 BGEPQOSONLVTMK-FXAWDEMLSA-N 471.601 0.510 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C3)C2)c(O)n1 1833699782 CNCFCJWUXSPSLF-OSPHWJPCSA-N 489.573 0.683 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c(O)n1 1833699996 KFSOAKOKXKSPNA-XMMPIXPASA-N 468.510 0.923 30 20 JCED O=C(O)c1cc(C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)ncn1 1833969070 UHROKVVKPMARNO-ODDBZWQPSA-N 488.545 0.889 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1835127101 LCNNNLOMEOXWLA-YTZAWJCFSA-N 494.589 0.581 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CS(=O)(=O)c3ccc(C)cc3)CCO2)C1 1835185650 PBBMUWQDBJYAQG-RDPSFJRHSA-N 494.610 0.798 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c(Cl)c1 1835398037 BDBGBGGCCPHSBE-QFIPXVFZSA-N 462.934 0.614 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCN(C)CC3)CC2)CC1 1835713049 MSEZNJYTOZDYJL-QFIPXVFZSA-N 463.667 0.769 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc5n(n4)CCNC5=O)CC3)CC2)c1 1836258435 JOGZPVLQQDLAPS-UHFFFAOYSA-N 475.553 0.997 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cn1 1836378327 IGEYZJVXPAKKCE-JOCHJYFZSA-N 461.540 0.110 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1836842019 DAPMXBTYOMEKFH-SJORKVTESA-N 457.593 0.351 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)CC1 1836860149 XRVVTDPLXVXRHA-QGZVFWFLSA-N 460.531 0.294 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1837175306 SGMFBCLCAWZMNT-AWEZNQCLSA-N 472.498 0.079 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1837396502 IDLKRJWDFVGSLZ-UQBPGWFLSA-N 484.553 0.646 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1837528202 AXUQISQAMFLIOY-XKUSAJHISA-N 490.513 0.452 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837531535 PBWTZISNCMZGKG-IWPBPTMCSA-N 476.486 0.409 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1837533225 LNGBOLKWNIMJRH-XRTQSOMPSA-N 479.505 0.917 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838118652 SZDCCLLYAOEJJW-YADARESESA-N 469.542 0.910 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1838193269 WKRMWFZCZSMGEW-HSZRJFAPSA-N 458.563 0.499 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838425012 DZPOUZUHCAXRSU-DEOSSOPVSA-N 467.526 0.498 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838634103 YANFHOQPBNJDCJ-HJPURHCSSA-N 491.545 0.309 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncn4C)C3)C2)c(C#N)c1 1839131416 GFMJASVOHMIJLN-QHCPKHFHSA-N 453.499 0.613 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ncccn4)C3)C2)c(C#N)c1 1839131671 RFPPPHIWHVEJJW-HSZRJFAPSA-N 451.483 0.670 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839191162 XCRCWYRPWIYEFW-NLFFAJNJSA-N 499.520 0.402 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)cc1 1839363271 AGBFDYCUMQDMPW-QHCPKHFHSA-N 451.483 0.080 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4[nH]nc(C(F)(F)F)c4c3)C2)C1 1840044252 AOAYZMDBOFUOIN-HXUWFJFHSA-N 480.399 0.740 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCCCNC(C)=O)NC(=O)OC(C)(C)C)CCO2 1840079503 GSKFYLZLLQQUFL-YADARESESA-N 494.589 0.276 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1840107997 BFSIHWMYMBBSLQ-GLDPYIMESA-N 496.605 0.827 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1)NC(=O)OC(C)(C)C 1840795628 SXFZWFGZOQQBQT-GAJHUEQPSA-N 498.577 0.658 30 20 JCED Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc([C@H](C)C#N)c4)C3)C2)c(=O)nc1O 1840808758 LWRKFICEJVUVIV-NSYGIPOTSA-N 495.536 0.655 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840818611 LWTXFXMGIAUGMU-HSZRJFAPSA-N 451.483 0.426 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C4CCN(C(C)=O)CC4)CC3)C2)C1 1840842543 NRQPWFYPXKPOSJ-AREMUKBSSA-N 488.629 0.579 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840853771 NTPYOVWFRWPVFQ-HYBUGGRVSA-N 463.575 0.446 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840914745 ORKJNVMYLASXCI-QQMNAOGKSA-N 479.530 0.224 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1840959188 YBGZTPBKGHGCQB-KHCICDEESA-N 497.589 0.670 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1841053305 JBFJNQORQZSZIG-OPDSQHBBSA-N 476.574 0.666 30 20 JCED C=CCSCC(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1841885144 JYKKNQSBASKNIA-LSDHHAIUSA-N 452.602 0.289 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842919710 PMETUZPYCLTEEG-MRXNPFEDSA-N 450.584 0.714 30 20 JCED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2)NC(=O)OC(C)(C)C 1846933786 USMBHLMDLQXXKG-SFHVURJKSA-N 468.595 0.336 30 20 JCED CNC(=O)c1nn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)c2ccccc12 29028971 WGTCSKWFTZSXOL-UHFFFAOYSA-N 466.523 0.592 30 20 JCED N#Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 108080341 RPMXSQIWKBWEEV-UHFFFAOYSA-N 450.542 0.591 30 20 JCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cc(OC)c(O)cc2[N+](=O)[O-])c1=O 436983799 DHSISHKWEKGVQQ-UHFFFAOYSA-N 459.480 0.423 30 20 JCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 480596037 SMOIDMVRPNLRAZ-UHFFFAOYSA-N 461.500 0.433 30 20 JCED O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 515946325 AOAYVANFWFPUER-UHFFFAOYSA-N 474.517 0.555 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 523256039 RHJCHVSUNPKBGC-UHFFFAOYSA-N 450.524 0.151 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCNS(C)(=O)=O 524281939 HVUUXIBIXVNFQQ-UHFFFAOYSA-N 484.550 0.012 30 20 JCED N#Cc1cccc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c1 560276446 DXHGPIOKYGPFPU-UHFFFAOYSA-N 459.553 0.715 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 590904017 NFKQNFOTTAXQMC-UHFFFAOYSA-N 493.969 0.984 30 20 JCED N#Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc5c(c4)CC(=O)N5)CC3)C2=O)cc1 609121487 BJCNZUPBYCFAHB-FQEVSTJZSA-N 479.518 0.691 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C#N)c(Cl)c1 726577356 OYPGYMDUCJDWLO-ZDUSSCGKSA-N 482.953 0.812 30 20 JCED CC(C)(C)n1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cn1 726577949 ZQPLHXLYLYHEHZ-UHFFFAOYSA-N 468.564 0.584 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(Cl)nc3)c2=O)cn1 727163615 CFZXBSJWBKQNKW-UHFFFAOYSA-N 456.915 0.043 30 20 JCED N#CCSc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914654407 UCCJJVPJSBXCOM-UONOGXRCSA-N 451.526 0.820 30 20 JCED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 916903419 SFXDRHBJMPSIGH-NSHDSACASA-N 458.862 0.752 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 918603696 CJBPESNSLKYVMD-SFHVURJKSA-N 489.598 0.433 30 20 JCED Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)CNS(=O)(=O)c3ccccc3C#N)n21 919033789 BRHPGZCLKZGKBX-UHFFFAOYSA-N 466.479 0.783 30 20 JCED CN1CCN(C(=O)C2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 920451171 IDCQAPOOWVSFBS-UHFFFAOYSA-N 461.588 0.518 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1 1313700340 VVEPTXGDDBXZHC-UHFFFAOYSA-N 488.618 0.356 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1314002246 KPYWUZFKCXBKNO-MRXNPFEDSA-N 452.562 0.379 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314540622 VWQDJRLCPRIPSO-SFHVURJKSA-N 478.623 0.362 30 20 JCED CN(C)S(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314678428 NRTIPNHDRLLTGM-MRXNPFEDSA-N 492.631 0.338 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1315068404 WWZHMHOYWBUSHQ-UHFFFAOYSA-N 486.602 0.110 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1316360021 ORNZNWPOOAYGIA-UHFFFAOYSA-N 453.532 0.483 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCN1S(C)(=O)=O 1316497127 RBXSUHCUJQHYES-RDJZCZTQSA-N 478.600 0.722 30 20 JCED CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1519516312 IYWKXEKRQZEMKL-UHFFFAOYSA-N 478.600 0.723 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1519607529 WHXKCVROHBAKPH-LJQANCHMSA-N 459.576 0.667 30 20 JCED CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1617405497 AXZMPPILIXMGRV-YPSMLTEGSA-N 497.622 0.994 30 20 JCED COc1cc(OC)cc(N2CC[C@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2=O)c1 1641353505 ZLOCCICULNGNLS-IBGZPJMESA-N 458.496 0.775 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705755716 XBPAWQGRONAGJP-LSDHHAIUSA-N 458.972 0.565 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCC(O)CC2)C1 1741983582 KPVYGVUOHTVHGU-UGKGYDQZSA-N 495.650 0.588 30 20 JCED CN1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1(C)C 1748063278 WWHGJKKKVKJDJH-UHFFFAOYSA-N 486.646 0.924 30 20 JCED CNC(=O)c1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1769185907 SIWYNUHYHMJUAQ-MAUKXSAKSA-N 475.575 0.615 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1)c1ccc(O)cc1 1779094434 FWWLHNMHSAQWEB-XRODADMRSA-N 471.554 0.370 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1779106184 RGWZDURJIXQLEC-BPRFCRFOSA-N 491.570 0.250 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(N3CCN(C)CC3)CC2)C1 1780652589 FUJWQWJYJPYSNP-DCLXLUIPSA-N 462.635 0.853 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781355020 XHLMPVBBFMZBAL-CLOONOSVSA-N 493.601 0.791 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1781395673 OWSZPLKFRUUMKQ-QVKFZJNVSA-N 463.560 0.522 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)c1 1782056725 GKCOBGNDGAGXKA-DEOSSOPVSA-N 462.510 0.954 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782568159 WXVHKZJBKNJRDT-WEBAALOPSA-N 460.466 0.841 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783135875 DFUNLPOOYLONIL-AUSIDOKSSA-N 473.599 0.935 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783682444 MRQXOKBJBCJGNF-WMZHIEFXSA-N 472.579 0.086 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1783766533 YSRTWIXVYUUOLY-YVHKJVDXSA-N 487.619 0.966 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1785559493 LHWANMGUTYEGNE-XMMPIXPASA-N 455.559 0.837 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1785606737 ADLHCQCGEVMPJS-DFBJGRDBSA-N 499.568 0.699 30 20 JCED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)cn2[nH]cnc(=O)c12 1786859161 QNOHWYLCEDCYHO-SZMVWBNQSA-N 469.546 0.206 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1789839309 PUNHRUZTANTVGU-OKYOBFRVSA-N 499.630 0.708 30 20 JCED CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1789941962 AJSWEOKHNRADQF-CBVHJVASSA-N 450.499 0.649 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790328412 ZKKBARQOOBJHIC-CJCBUOBESA-N 488.570 0.356 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1792484780 PXWOMVVPUJFLKH-MXRCOQMNSA-N 494.548 0.050 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1792889641 SWFMGMLOFZUCEX-WTLGNFPFSA-N 476.505 0.786 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1793340353 TTYLMGKKEQWNEJ-KWWJQKEASA-N 463.531 0.193 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1793352871 QWZPFLSZRMSWHF-DSPLJNTKSA-N 481.590 0.931 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)c(F)c1)C2 1795602513 QOWLRWBOUYIUPK-HGKCTWBKSA-N 480.562 0.714 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795999282 IMAVTZHJWUGPOW-RBNVPPIJSA-N 465.432 0.796 30 20 JCED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1797759506 SECBQCURQXRGNX-UPHUGPLXSA-N 459.572 0.183 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800204498 GHDUQTYVASWIBK-QOIOWGMHSA-N 491.545 0.620 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C1(C#N)CC1)C3)C2 1800325252 LYPOORHFFZUWOA-CUSZFKRNSA-N 455.515 0.516 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)C2 1800988919 AJIWWUCLLONZFQ-HHGBYSHGSA-N 469.604 0.653 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801051068 BTRCSRNKAYNYCZ-INOFNZCTSA-N 481.590 0.521 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1801992784 YLUUVZNDBCHDGN-FAQVEIGNSA-N 452.467 0.550 30 20 JCED O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1802079554 JVFKMQNYMRMZMK-ZKTCXXERSA-N 475.498 0.935 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1802139882 WHVGFOQLFSDZLP-LOAAXEFPSA-N 473.530 0.443 30 20 JCED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1802151918 KLOGFWVUJHWDQM-RPUYLAQPSA-N 452.552 0.557 30 20 JCED Cc1nn2cc(CC(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)nc2s1 1803968120 RMDRHVGAOFISHE-QRWLVFNGSA-N 452.496 0.831 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807721687 WAEYGEDQGBUWIP-SXYSDOLCSA-N 485.585 0.727 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)c1 1811795200 KJFAZNOTKFKMKN-AZUAARDMSA-N 457.427 0.998 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330377 RTEZCMORYQXHDY-YGRLFVJLSA-N 457.516 0.673 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)[nH]n1 1823386303 NSBNVAYFNCSSLF-DOTOQJQBSA-N 453.503 0.945 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825328355 HINBJVCFRBQZOD-MRXNPFEDSA-N 464.588 0.040 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCN2C(=O)OCc1ccccc1 1829124295 NZSKXBJWMBTPCO-UUOWRZLLSA-N 469.542 0.779 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccncn3)C2)C1 1829332195 CLGZVUTWMBSKHD-DEOSSOPVSA-N 477.477 0.630 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1829348490 WYIFDAXYJPFOEZ-LVXARBLLSA-N 497.596 0.835 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1829781928 IKAFTARWMJSNIJ-QFIPXVFZSA-N 480.587 0.901 30 20 JCED O=C(O)CSCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830470334 SUXZWIWMVFTXCQ-NRFANRHFSA-N 466.943 0.966 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831013576 RIANDKMHXZNBDR-JOCHJYFZSA-N 461.902 0.600 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)[C@H](O)C1 1831207569 RRNGKLGENCKCND-WZOHSFFVSA-N 491.585 0.474 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1831404501 PSDSEINYUAUTOI-HOYKHHGWSA-N 474.510 0.347 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831446311 GRLFRBCOLOLDCJ-QFIPXVFZSA-N 461.540 0.729 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833651047 IYSRELKNRCIGLA-MBSDFSHPSA-N 453.499 0.376 30 20 JCED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)cccc1=O 1833874365 FOOUMLJCHOLNMI-HSZRJFAPSA-N 454.458 0.780 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)c(OCc4ccccc4)c[nH]3)C2)C1 1834756150 MKNSADFSZBMYSW-XMMPIXPASA-N 466.494 0.938 30 20 JCED CN1CCN(CCC(=O)N2CCC(N3CCC(NC(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)CC1 1835767767 QLXXKISHXLRSAQ-LTWSARMESA-N 492.665 0.725 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)o1 1836022946 VKJJIHCDZAFPMY-FNEOHHHZSA-N 460.512 0.878 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccnc1)CCO2 1836180487 MDQQWKGZOQBFAU-JPDUQLBUSA-N 460.531 1.000 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836350708 NMSAVAHQTVHFIN-GAJHUEQPSA-N 490.561 0.572 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1836786543 RNOGHOPYRIDOFS-CPOKCXMASA-N 466.535 0.966 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1836845939 ZSQZNYNTAPJPMN-KIJZHVTOSA-N 485.651 0.785 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cn4cccnc4n2)CCO3)c(C#N)c1 1836892744 APAHLMGAEAVTLI-RUZDIDTESA-N 490.520 0.922 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1837304300 BOKQIWIOXRCHIZ-KNQAVFIVSA-N 469.604 0.637 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837533475 VZGZQDLEMDXHBH-LPEYTCNWSA-N 477.562 0.875 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869562 YVFZWRVJPXINFC-FQEVSTJZSA-N 465.595 0.418 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838579589 RYERKJPPOSZWEX-HJPURHCSSA-N 458.515 0.552 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)c1 1838580648 PDQYNNWWHGYPMJ-XMMPIXPASA-N 472.542 0.359 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733189 SCKQGAMKOHAWLJ-WZONZLPQSA-N 473.530 0.966 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)N4CCCC4)C3)C2)c(C#N)c1 1839131384 FDJFNGMXCMASQJ-SANMLTNESA-N 498.580 0.968 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)cc(C(F)(F)F)c1 1839443092 VQMSPLCSFAEJMJ-JXFKEZNVSA-N 482.415 0.755 30 20 JCED CN(C)[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1Cl 1839734441 ZAYDRTDIHINRFR-UNMCSNQZSA-N 463.918 0.487 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(-c4ccccc4)s3)C2)C1 1840042177 FXIMXQMWZTYINJ-JOCHJYFZSA-N 455.492 0.968 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)cn3)C2)C1 1840042501 XWTRXLGSAAAWCO-GOSISDBHSA-N 452.261 0.002 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1840163602 VXUDDMSJSYYNEE-MGPUTAFESA-N 461.581 0.302 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219281 HEANGUPORUTLFG-PKTZIBPZSA-N 465.547 0.228 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1840906917 LHRCDELWCWTZDC-YTZAWJCFSA-N 494.589 0.274 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCNC)C2)C1 1840909314 QSYIIYXFDOIIEL-JPYJTQIMSA-N 466.579 0.359 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)C1 1845105334 JLLSPAXMXPUVCQ-SJORKVTESA-N 463.579 0.699 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)C(=O)c4cc5c(cc43)OCCO5)CC2)cc1 16877403 XVJOFKISKXCBRP-UHFFFAOYSA-N 468.491 0.823 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1 30664664 NWEYWQPDQNAEKJ-CALCHBBNSA-N 486.616 0.263 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)c2)c1=O 501772127 VTZSDAVHCYZNIH-UHFFFAOYSA-N 471.535 0.233 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1OC 502006850 VISCLKPPWWBJDO-UHFFFAOYSA-N 467.551 0.687 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)C1=O 512458625 XIKCFKSXCZATMI-UHFFFAOYSA-N 480.499 0.022 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C1CCN(C)CC1 518725162 IIXLIAOVARVTIV-UHFFFAOYSA-N 498.605 0.951 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCNS(C)(=O)=O 524281405 VITQLEUBYLNQKQ-UHFFFAOYSA-N 468.626 0.248 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592988067 JJBCHWWGKYVUCK-UHFFFAOYSA-N 454.487 0.081 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(C3CC3)c2=O)c1 603996353 AQAUPFZOMRWPDP-OAHLLOKOSA-N 457.552 0.924 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C)c1 604118540 JSYVJTBJPFWHJW-UHFFFAOYSA-N 497.598 0.877 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)c1 604270356 NIJMGMVMOZNMAB-UHFFFAOYSA-N 486.594 0.298 30 20 JCED COc1ccc(OC)c(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccncc3)c2=O)c1 608827257 IWQVOAIAIBTLNV-UHFFFAOYSA-N 478.530 0.673 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 608828306 NRDMYECKKAOGSY-UHFFFAOYSA-N 488.573 0.060 30 20 JCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCN(C)S(C)(=O)=O)C1=O 726399363 CTKDCVSONGZPHO-CQSZACIVSA-N 455.562 0.135 30 20 JCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CC1 728573742 UBPKFCNPBJFFSY-IBGZPJMESA-N 477.631 0.720 30 20 JCED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 731066300 VQQOBUXZCVFCQC-CYBMUJFWSA-N 470.511 0.867 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(C)ccc1C 839014054 XLSKHRWJXVCZKB-INIZCTEOSA-N 451.552 0.904 30 20 JCED C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(N)=O)C1 853708991 UXVSDXKWDQSBQV-UONOGXRCSA-N 450.517 0.161 30 20 JCED CC(C)[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 877876851 FXOBXZIMFGVEPW-WMZOPIPTSA-N 464.544 0.784 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@@H](C#N)C(=O)NCCOC)CC2)o1 917424136 DHANQLZVUOWRLM-CQSZACIVSA-N 455.489 0.328 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nnc3n2CCCC3)c1 918272123 UEZWRMPHKDRNJX-KOEQRZSOSA-N 459.532 0.682 30 20 JCED CN(C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1297935672 LWSCPYISQPFFGL-ZWKOTPCHSA-N 495.606 0.131 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359076764 LYZLNJLCANPXPW-QWHCGFSZSA-N 499.457 0.563 30 20 JCED N#C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CCO1 1474852235 STESKYQUOWSYQY-CQSZACIVSA-N 458.338 0.964 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCSC2)C1 1505141851 YBBMURVVYLQSHH-VQIMIIECSA-N 470.621 0.609 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1554498664 ZCORWLHZAOFPEB-AOMKIAJQSA-N 455.519 0.730 30 20 JCED CC1(C)CN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCO1 1611797346 QOMQWNZJBSAFJS-SFHVURJKSA-N 481.623 0.462 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705747770 USHKILQKOPSNFP-CQSZACIVSA-N 461.976 0.215 30 20 JCED CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1729597619 NEMDPBSRKDTJGK-LJQANCHMSA-N 486.602 0.109 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccn3c(O)nnc23)C1 1777957324 VREXAMVHUUKJMC-UZUQRXQVSA-N 469.546 0.844 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778851675 XOIKJXXAESZSKL-NYHFZMIOSA-N 475.550 0.066 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CC1 1778910680 ZENMGTPMFRYQLF-LMSPAZJHSA-N 493.605 0.193 30 20 JCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc4n(n3)CCCNC4=O)C2)CCC1 1778918824 NTXOGNALXMVQSG-WZONZLPQSA-N 454.531 0.838 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1779060980 LIINIPBEBAZTTN-GOSISDBHSA-N 464.412 0.870 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1779101550 RBTJPCIQIWOZKI-REOISXMNSA-N 451.455 0.755 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSc1nc[nH]n1)C2 1779427837 BJBKEAXLDAZOPU-YMRNUVASSA-N 466.564 0.940 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccccc4C(=O)OCCO)C3)C2)c1 1780155872 FCXBYOCOCBYLDG-HSZRJFAPSA-N 452.467 0.793 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)CCO3)c1 1780332391 WAXSFNSYMWMIJP-JLCFBVMHSA-N 452.471 0.336 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781165149 GJHSQFGDPXWPKV-XFAGBWLFSA-N 493.605 0.106 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1781169188 JHKBGYJUIVPESR-QZTZHPFYSA-N 476.574 0.649 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781297305 YBGYOQCKJLBAOD-VGOFRKELSA-N 462.551 0.968 30 20 JCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1782185308 OAZTYJPGDPCYSC-YGKZAACZSA-N 498.646 0.898 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783142831 SEXNJDVSVAOTHE-JPYJTQIMSA-N 464.563 0.649 30 20 JCED CC(C)(C)OC(=O)Nc1ncc(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)s1 1783567648 UTDSATJWMZVFIY-NRFANRHFSA-N 478.527 0.951 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(=O)NCC)CCO2)C1 1783768092 IKTUEJQBSHSAMX-MFEFFIJZSA-N 481.594 0.993 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783868900 LHCZSBLKNRPYOC-QZMQVMSPSA-N 463.531 0.988 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1785598575 UPAJSZOOQDTWCS-HZCFWTAGSA-N 476.574 0.812 30 20 JCED CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)nc1 1785711511 VKBBOPMXCVJOME-HNBMCMEPSA-N 494.570 0.607 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1788575492 KPGWNMMFRUNACW-UOVPBQLFSA-N 462.503 0.309 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1793088901 SEAIQJONGUVJHS-WQDJSCAQSA-N 493.557 0.664 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793428665 YKOSLOKFTZADKO-UJHHCITNSA-N 452.552 0.557 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)ccc1F 1795930082 PFPDRPCSKXSVEK-YVWYUNDQSA-N 487.513 0.295 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994419 JKGHJCBTXQIBQU-KOZDUTSQSA-N 485.419 0.240 30 20 JCED CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1796304198 VQLDGWIHAKVPEC-CLWJZODNSA-N 465.547 0.994 30 20 JCED CCOC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)ccn1 1797815261 MVXIMYMLXOEQSS-YDRXGEHBSA-N 474.514 0.991 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2 1799321353 AIHNIAVEBDZRDQ-MUDKKEKZSA-N 498.577 0.500 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)[nH]1)C2)C(C)(C)S 1800908030 ULLJVRBPIXTDSK-AYRXBEOTSA-N 483.591 0.920 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2 1800987349 ODUNLPMOJAWYEL-UJHHCITNSA-N 486.635 0.656 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)O 1801024652 QYWUMCZWMUWYTJ-KRXQYRFLSA-N 469.560 0.310 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2)NC(=O)OC(C)(C)C 1801930459 IJTSBTIYGVLBKT-QLCXLMDBSA-N 477.566 0.683 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1802125823 VZDUNMPRSLYWNF-AXVVYFOYSA-N 487.557 0.785 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CNC(=S)NCC)[C@@H]1c1cccnc1 1802490508 RQIWBCWYQKDBNW-UXTXJKSZSA-N 458.588 0.430 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CN(C)C1 1803310001 COKHSVZYEJGRCX-FCGDIQPGSA-N 493.605 0.992 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808226716 RLKNFLOBZILMMR-DYESRHJHSA-N 474.514 0.717 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CN(CCO)CCO)[C@H]3c3cccnc3)c2c1 1812071126 FHMROCOUBANHIG-CYFREDJKSA-N 491.552 0.436 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@@H]1c1cccnc1 1812409214 UKCTZVMENWAAGK-QDFBPKLPSA-N 494.508 0.716 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1828204175 SILUNTALXWRRBT-ZBEGNZNMSA-N 494.526 0.600 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC)NC(N)=O)CCN2C(=O)OCc1ccccc1 1829044556 HFPJZWYIYFPSRD-MBSDFSHPSA-N 455.515 0.519 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCN2C(=O)OCc1ccccc1 1829249129 PAMREJWXZHHXQM-XMMPIXPASA-N 479.493 0.492 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1829770567 YMGMQGZFYVWTCW-WNWNSBFKSA-N 492.573 0.168 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1829771595 WXMDVTLFSTTYOX-MJSXRHKHSA-N 454.738 0.671 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)C(C)(C)O 1830063550 SSKQAVPIUZFHAD-MWTRTKDXSA-N 482.578 0.657 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(=O)OC)c1ccccc1)CCO2 1830408094 TXPZVUOROHVOFF-NRYAXDJKSA-N 473.526 0.578 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c1 1830460470 NNVBPKBSOCCRKQ-NAFJXCGOSA-N 466.538 0.782 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830472131 DSJLKQVJIANCKG-OAQYLSRUSA-N 468.959 0.583 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)C1 1830708709 JORVHRCJMKDEMW-PNCHPQGNSA-N 464.563 0.314 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1830835857 FRRUNRGYRNXFPB-SIBVEZHUSA-N 497.548 0.096 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4C(=O)Cc5ccccc5C4=O)CCO3)C2)CCC1 1830838752 VVEBJETZEFCBJT-SANMLTNESA-N 494.548 0.752 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(N(C)C)c3)C2)C1 1831397308 QNIXQZBNTJAJGW-MHECFPHRSA-N 459.543 0.870 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1832458613 SXTNYFRVCHOSGE-NJNPRVFISA-N 451.589 0.763 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(=O)n5[nH]nnc5n4)CC3)CC2)cc1 1833106567 KFAJDFDOPSHJPT-UHFFFAOYSA-N 489.540 0.112 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CN4C(=O)CNC4=O)CC3)CC2)c(Cl)c1 1833679156 OVLSWVIUKAPVHG-UHFFFAOYSA-N 486.960 0.949 30 20 JCED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833713866 GYUNAFRITVXQPY-UHFFFAOYSA-N 452.621 0.092 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)C[C@@](C)(O)CC(=O)O)CC2)CC1 1834715952 WJPGVJZYAWRKRO-HSZRJFAPSA-N 465.595 0.456 30 20 JCED CC[S@](=O)CCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834716167 JBPHOWUGWKKUQX-HKBQPEDESA-N 453.653 0.999 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835352162 PJZLLMUMTLTVHF-HTAPYJJXSA-N 466.535 0.382 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835530298 HWCFTRUSVQVEHM-IUKKYPGJSA-N 468.595 0.897 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=S)NCC)CC2)CC1 1835717730 IGVYSZIKHSEBAB-GOSISDBHSA-N 453.653 0.615 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1837392063 ZFHOWUSIZQLTKS-MFEFFIJZSA-N 469.579 0.929 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)o1 1837450930 ZGJXLTOIVMQUTO-QFIPXVFZSA-N 461.519 0.590 30 20 JCED CCN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1837496625 LVMILESVHMRUTQ-VWLOTQADSA-N 461.603 0.873 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1837527289 KNCJSUMDLIDTHU-WWCXEQRYSA-N 450.467 0.820 30 20 JCED O=C1Cc2cccc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)c2N1 1837530189 JTZBLFOEAPWYQB-PLTBLKKTSA-N 486.525 0.780 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837633230 HWKSTIFREPBHMX-PRSVDJLGSA-N 475.542 0.891 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1 1838579235 HQQGRFAYFICPRS-JOCHJYFZSA-N 458.471 0.089 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C)n(C)n4)C3)C2)c1 1838580455 DCSHZIQJGRCOQZ-HSZRJFAPSA-N 453.499 0.993 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)c1 1838905806 ALAHEGMHYWNTMY-HSZRJFAPSA-N 452.467 0.651 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1838906994 RQGRQGBXNDVYMG-XMMPIXPASA-N 478.509 0.272 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)cc1 1838952946 NDYXPMMJJVBRGI-HSZRJFAPSA-N 451.483 0.921 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCN1Cc1ccccc1)CCO2 1839031475 WAZVXTITDRHPJR-OFVILXPXSA-N 469.538 0.586 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(C)=O)c1ccc(F)cc1)CCO2 1839039234 ZXKRHPWIXWNPBH-UQJUWTFNSA-N 475.517 0.498 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1839172530 UVTSZGADVCGLDU-HXUWFJFHSA-N 451.432 0.767 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839174876 BKXGMTGTAVFSBJ-MBIGCVILSA-N 467.519 0.481 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1839186095 ZMBNOBXUVNYXAJ-HOIFWPIMSA-N 455.552 0.683 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191818 OFPLVUXAYVVDTI-QFWMQHCXSA-N 495.573 0.165 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361313 BSAMHGWNDDUGGV-XMMPIXPASA-N 456.543 0.985 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)C2)C1 1839810815 SXECYBBRNFOGEV-ZHSNQQFMSA-N 463.531 0.100 30 20 JCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1840147195 LRXINABKKJUMGH-PMAPCBKXSA-N 458.515 0.936 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840796155 XMSAJSMOPCKGKN-VGSWGCGISA-N 453.536 0.891 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840857094 IUDNULGXGFBHHM-RCZVLFRGSA-N 497.527 0.843 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840912502 JZGMZJWLJRHBQN-UJUVCNOISA-N 497.618 0.539 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(=O)C2CC2)C1 1841306889 ZMXLHYSYVOUXAS-INIZCTEOSA-N 478.546 0.974 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)C1 1843169503 YOZVQUJIIYQRIW-CQSZACIVSA-N 455.393 0.854 30 20 JCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3CCN(C(C)=O)CC3)C2)c(O)n1 1843973133 HLFDBQNTBDHPDY-UHFFFAOYSA-N 455.559 0.887 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845064833 JYBMOAVXPRSJOP-PCCBWWKXSA-N 497.596 0.920 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CCCC34CN(C(=O)CCC#N)C4)c2n1 1845884431 KQFUYMPWDNQUFZ-UHFFFAOYSA-N 454.491 0.634 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]nnc2n1 1847940623 ZRAGZJRDBUQUBC-SNPRPXQTSA-N 472.506 0.097 30 20 JCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 604164701 UGILPRAKTSVEJS-UHFFFAOYSA-N 492.492 0.214 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCN(C)c1ccccc1 608828060 SWWHWEGOVLZDHF-UHFFFAOYSA-N 462.579 0.975 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 608828953 TYQKUZFLGFBYQA-UHFFFAOYSA-N 468.560 0.634 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc2c(c1)OCCO2 619538632 QFOONQZLMZJAEE-UHFFFAOYSA-N 453.476 0.529 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)CC2)cc1 726383909 JGOBLWAXPAYUFW-UHFFFAOYSA-N 478.552 0.508 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCc2nccs2)C1=O 726402972 IHIBNDTZPKBAAL-HOEZRSETSA-N 467.598 0.969 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(-c3ccc(F)cc3)c2)c1=O 728557810 RDHAXACEWKINDS-UHFFFAOYSA-N 485.541 0.537 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CC1 728573592 RSAMCGWGJIYSKL-UHFFFAOYSA-N 488.614 0.243 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cc1C 729671665 UGNNPONEGUBZJP-UHFFFAOYSA-N 463.581 0.299 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 729673345 ZXXWCJJNONSYDP-UHFFFAOYSA-N 470.435 0.491 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2O)C(=O)N(CCC#N)c1ccccc1 813464117 STROQSVNFNUHKG-AWEZNQCLSA-N 472.483 0.825 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 858005710 XZDBWNMWXRWTPR-GJZGRUSLSA-N 493.563 0.668 30 20 JCED CN(C)C(=O)N1CCC(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 915443936 IRINIUMKJWQPGY-UHFFFAOYSA-N 491.570 0.328 30 20 JCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 916198774 VZCOEYCRXBBMSJ-UHFFFAOYSA-N 461.540 0.610 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 916716699 YMPXOZPPGBXOEE-LYBHJNIJSA-N 462.576 0.928 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)cc1 918260815 LJRPNNAIYOYVDW-NLRVBDNBSA-N 472.527 0.379 30 20 JCED COC(=O)C1(NS(=O)(=O)c2cccc(Br)c2C#N)CCS(=O)(=O)CC1 1189623832 NQKXBXDEBSPJGG-UHFFFAOYSA-N 451.320 0.719 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CC1 1359402158 PNFNGDHYZLYYJS-UHFFFAOYSA-N 494.600 0.985 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(C)(=O)=O 1497038192 NPMIABGSKYDVCE-UHFFFAOYSA-N 474.591 0.834 30 20 JCED CCS(=O)(=O)NCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1516855246 IKKIOMJLSJXYCM-UHFFFAOYSA-N 481.586 0.796 30 20 JCED CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCn3cnc(C#N)n3)c2)CC1 1539482043 UDFOZSFVCRZZNK-UHFFFAOYSA-N 451.940 0.559 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC(O)CC1 1696654850 WIKNLKNKHDCGAU-UHFFFAOYSA-N 497.600 0.871 30 20 JCED COC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697092166 DIJYKHZHWAGAEC-IAGOWNOFSA-N 467.596 0.213 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)N1CCCCC1 1706888236 ZSYBWQKHRRNSKI-WMZOPIPTSA-N 478.623 0.467 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)CC1 1710329327 VHXHMBGSPJSUGJ-UHFFFAOYSA-N 459.576 0.510 30 20 JCED CCCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1728197138 YVQLZKTVXRRHBB-UHFFFAOYSA-N 484.609 0.963 30 20 JCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1731007250 JDYGXALWPKZUSX-UHFFFAOYSA-N 473.559 0.436 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760300906 OBWQNCSQSBEOKQ-NWDGAFQWSA-N 485.430 0.315 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC(F)(F)C1 1778177109 OZXRYKUXCZJTJQ-VFNWGFHPSA-N 485.484 0.797 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1779021800 VTURGHBAGHUJOH-RCFPETKNSA-N 483.613 0.923 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780938804 PLBVIRWSKPMCHJ-BTYIYWSLSA-N 463.560 0.522 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C3)c1 1781150867 MCWBTPINUUIFER-WZONZLPQSA-N 456.499 0.537 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781247390 IQHKGRYJYWGYPR-IEGUWTFLSA-N 464.563 0.648 30 20 JCED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1781745592 VXZZWJXYZWUUKG-RSNROMBLSA-N 492.642 0.893 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1783918791 OFPZWZBVNRMYCR-DKIMLUQUSA-N 458.902 0.269 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784004454 DTTBJIYOSTWOBW-VKMRPIPCSA-N 492.573 0.047 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4nccnc4CN3C(=O)OC(C)(C)C)C2)C1 1784356004 MUVSWGXDSRETEY-MBSDFSHPSA-N 455.515 0.602 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CC(=O)NC4=O)[C@H]3C2)cc1 1785026282 RLTRPGVQWNNFHU-FHWLQOOXSA-N 453.499 0.022 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1785576965 JPGUCYIHHRNRSS-QMHKHESXSA-N 473.530 0.845 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)CN3CCS(=O)(=O)CC3)cc2)CCC1 1786689423 DHISQQYXCSLPLS-HJWRWDBZSA-N 474.583 0.709 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCOC1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787515390 WWLPUPJJCDHKHR-BCYZHJNNSA-N 493.557 0.374 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C(=O)OC)nc3)[C@H]2C1 1787604118 WYBWDFMCNNNJRH-SAWCTPMISA-N 456.499 0.320 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21)c1ccc(O)cc1 1791336854 OUBSAXWDQUBEBL-ZFMNYDKASA-N 485.537 0.412 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1791543639 IMFPIVIJCRVIQR-SNJCGAMXSA-N 478.553 0.816 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccnc1 1793146832 JJEYIFSZPYPXJB-OYSTVDSJSA-N 459.547 0.950 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793165063 CLTDHSGMOMXPCG-DMUMMCEESA-N 492.573 0.725 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1 1793943178 QXPSWVAPISQLQX-RVDAZCDBSA-N 452.511 0.371 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795441256 IZTJJSRBQASQRB-JTJHWIPRSA-N 480.606 0.768 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795598148 IENIHTJRSRWOPV-BCDXTJNWSA-N 463.579 0.725 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCCNC3=O)c(C#N)c1 1797323681 QGOANDYUVIRNFD-FEJSZKPUSA-N 492.536 0.343 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797839655 ROIVVFBFUQYFSP-OHTXMGIZSA-N 453.499 0.502 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1799307065 ZMKYCQNJZPWLRX-MIVVTYSHSA-N 495.573 0.457 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2 1799320410 BVCSDJZTQREOSG-DFGXFYAUSA-N 462.551 0.878 30 20 JCED COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1799383262 SWTFCOZSNHZJFT-UETFECSKSA-N 498.621 0.134 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C3)c1 1799799732 TYIDKCRFBDPSES-CUWKQTPXSA-N 455.540 0.872 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1)NC(=O)OC(C)(C)C 1801440627 BZYIAMQJWFLWBY-OGJJZOIMSA-N 477.566 0.683 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1801989598 QYQOZRCQCWLHCJ-NHKMSHSESA-N 454.527 0.929 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801992327 ZXSSIVXHPOZRFY-FZKCQIBNSA-N 479.534 0.054 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]1c1cccnc1 1802480115 ASHGXFXZUXUNBE-TUWMKGBGSA-N 486.525 0.441 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cccc(N3CCOCC3)n2)[C@H]1c1cccnc1 1808695839 LCRANOUKYVFSDE-FDDCHVKYSA-N 463.494 0.721 30 20 JCED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2c2cccnc2)c(=O)nc1O 1811542664 IMYYFRRJSNMICG-YLJYHZDGSA-N 461.482 0.872 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC3)ccc1F 1822961977 PXEMXALVSJRPIH-HIFRSBDPSA-N 458.519 0.901 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1828514402 OLUIQSOENHUGGK-DFBJGRDBSA-N 498.584 0.581 30 20 JCED Cn1nc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1O 1828646459 PQADITQEGQPHMQ-XMMPIXPASA-N 495.492 0.279 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3(C#N)CC3)C2)C1)n1cnnn1 1829396756 RZDILPGWQWFNLN-HOYKHHGWSA-N 492.540 0.990 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCN(C)CC4)cc3)CCO2)C1 1829693675 RVNGAOOHGXAWKB-HFZDXXHNSA-N 484.597 0.547 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)c3ccc(O)cc3)C2)C1 1829768732 GIMZVQLQNNQKEU-SULQKFSGSA-N 457.527 0.811 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3[C@@H]1O)CCO2 1830819708 QFRMLWHSRFBNRB-MMCWVTIBSA-N 483.565 0.597 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4[C@H]3O)C2)C1 1831386939 CCGXZNDBWINKDP-PXOHRUDZSA-N 456.539 0.777 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831443234 QWQMGJLQNXELQO-FNEOHHHZSA-N 482.580 0.850 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CN(CCO)CCO)CC3)c2c1 1831489944 LJQRLOSHVJRHIF-QFIPXVFZSA-N 482.585 0.954 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832534990 OXXLLYSPSIQJDH-RXFWQSSRSA-N 499.564 0.702 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833027844 VHSPPEXJPKOMQK-YLJYHZDGSA-N 455.602 0.889 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)CCO2 1833566468 FHDLFAKFBARAAJ-VWLOTQADSA-N 482.512 0.914 30 20 JCED Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)c1F 1833676714 YAHKYQPIDCACEV-JOCHJYFZSA-N 457.462 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835109935 KGTVUOMPBYPNRC-VFSSLDKASA-N 490.630 0.219 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1835674823 FYIRPHKGQAMFCR-IXFSTUDKSA-N 464.563 0.314 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835677380 GZFWWNUIUAJJRS-COMZKJJYSA-N 465.551 0.254 30 20 JCED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)n1 1836070007 RBIABOZIRDMVPV-KTBYTZPXSA-N 460.512 0.878 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CC2)CC1 1836136116 IYCYNEGVKSXCNT-UHFFFAOYSA-N 472.454 0.597 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)CCO2 1836289464 BUNDCDLTTPEMGJ-RUZDIDTESA-N 496.568 0.439 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1836475360 NJDUWJVWZJNFCC-NZQKXSOJSA-N 454.552 0.521 30 20 JCED COc1ccc2c(c1)CC[C@H](CC(=O)N1CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C1)C2 1836634423 GLNKJVFLQOPQKH-BVZFJXPGSA-N 470.522 0.735 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837397960 YFVNIXRKIBDGFH-WATLYSKOSA-N 457.571 0.730 30 20 JCED Cc1cnc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cnn2c1 1837444243 URVRKBRYGIEXIZ-ABBHQSEISA-N 469.546 0.579 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562607 OEVJWBGULZBDGS-FRMLRCNCSA-N 461.544 0.181 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1)c1ccccc1 1837614707 VBCNNTIQHFXEDY-XUZZJYLKSA-N 451.527 0.932 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(CO)o5)CCO4)C3)c2c1 1837972035 QHPQSYYFXZKFOT-HSZRJFAPSA-N 465.466 0.904 30 20 JCED Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n(-c2cccc(=O)n2C)n1 1837991869 AHBPEBGINBGWCX-UHFFFAOYSA-N 495.536 0.580 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(=O)n5[nH]nnc5n4)CC3)CC2)c1 1838023359 XGZGBACPEWMZCU-UHFFFAOYSA-N 490.524 0.919 30 20 JCED CCc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)co1 1838135330 GLYKXYJIGHHAKI-RJGDLVSHSA-N 450.492 0.836 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNCP(=O)(O)O)C3)C2)c1Cl 1838595880 HZFZRPDRCVQMRA-LJQANCHMSA-N 486.849 0.006 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)cc1-n1nccn1)CCO2 1838628832 YNJJJVKMRZBKDO-CVUHLLMESA-N 494.552 0.504 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739001 HXFLVFSJQWHLCD-MBSDFSHPSA-N 491.545 0.232 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(C#N)c5)CCO4)C3)CC2)CC1 1838907956 YHOMLTOGVUJHCV-XMMPIXPASA-N 467.570 0.408 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4cncn4)C3)C2)c(C#N)c1 1839133389 NZRKHTMHHOSKOL-SBUREZEXSA-N 468.514 0.418 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1839172377 QJJWDVYIDZEBEW-QHCPKHFHSA-N 451.564 0.684 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839175104 PHQDWTBWGNGLGB-DEOSSOPVSA-N 462.543 0.651 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1839175864 JDPUFDZYJDDHKS-CLOONOSVSA-N 487.553 0.771 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210046 BZQXVHGGESVZQV-LLJLJFOGSA-N 499.605 0.292 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1)C(C)(C)C 1839222330 KJEAACYZULXPIW-CECAUBDESA-N 454.568 0.795 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)c1)CCO2 1839343640 OQVSHUSUEHFZHI-SJOJWXDJSA-N 498.580 0.452 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)cc1 1839362027 UMNYDKNCVSMHHV-OAQYLSRUSA-N 454.443 0.768 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2 1839442414 BJRLOAFXPKLWGZ-NRFANRHFSA-N 497.474 0.918 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCc5cnccn5)C4)C3)c2c1 1839489138 NWRUXPIGQRKYNG-XMMPIXPASA-N 475.509 0.927 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839668507 WBKIGKIIEPHNON-NRFANRHFSA-N 450.492 0.000 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)[S@@](=O)c3ccccc3)CCO2)C1 1839671098 PFVNCYXFPQERRM-NHWPIRCQSA-N 462.568 0.677 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(n3ccnc3)CCN(C(=O)OC(C)(C)C)C1)CCO2 1839742069 MUSXQOZAYCZNPS-RPWUZVMVSA-N 487.557 0.309 30 20 JCED CC1(C)CCc2cccc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2O1 1840042039 XHRDPGDMALUQOT-DEOSSOPVSA-N 456.495 0.948 30 20 JCED CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043167 HIECVDQDQGEQHW-QFIPXVFZSA-N 477.470 0.785 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1840157519 RQDHNFBFRHXQEC-IVZHQMGZSA-N 471.576 0.340 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840162991 LRGYYUDSTQQMPX-ONGXBYRLSA-N 473.592 0.445 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)OC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251668 SBQWUJJPHDSBIZ-SBUREZEXSA-N 496.561 0.364 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnc3)C2)C1 1840906455 BZBFKZRBWNAWBB-YDIMBITNSA-N 489.573 0.817 30 20 JCED Cn1c(=O)c2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cnc2n(C)c1=O 105294527 XUFYSFBWRZNRHE-UHFFFAOYSA-N 482.522 0.543 30 20 JCED COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 105646675 OEYKIJMSNLPJDP-UHFFFAOYSA-N 464.525 0.503 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)cc1 436703225 HUFGWPMHOIQCDH-UHFFFAOYSA-N 460.512 0.683 30 20 JCED CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 497758457 RXQKCVWHVHRXBH-UHFFFAOYSA-N 482.609 0.994 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(C)c(OCC(=O)OC)c(C)c3)c2=O)cn1 523861002 QHABGMPGLNEOFE-UHFFFAOYSA-N 495.561 0.533 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(OC(F)F)cc3)c2=O)cn1 523864762 AGEQQEJSTQNXPR-UHFFFAOYSA-N 489.504 0.982 30 20 JCED COc1ccc(Cn2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccnn3C)c2=O)cc1 603552691 LZSWYLXVNFFIDW-UHFFFAOYSA-N 451.552 0.975 30 20 JCED CN1CCN(C(=O)[C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 603739836 KKJSUPZOUDNURU-OAQYLSRUSA-N 473.599 0.724 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 608828897 QGVWOTKVHLEIHU-UHFFFAOYSA-N 492.557 0.662 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O 608911298 ZJGHCPHUGOTRHC-UHFFFAOYSA-N 494.495 0.898 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccccc3C)c2)c(=O)n1CC(N)=O 609220956 XCUPPMFZGOIMFY-UHFFFAOYSA-N 476.558 0.636 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3c(C)nn(C)c3C)c2=O)cn1 726180973 XTVBPVSTIMFSSQ-UHFFFAOYSA-N 451.556 0.591 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)C[C@H]3CCCCO3)CC2)cc1 726350525 KSYDKEVCRZWUHU-QGZVFWFLSA-N 455.558 0.974 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H](C)c1cccs1 726584617 UXORXVDRXMLNEW-CQSZACIVSA-N 457.581 0.970 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 727006959 PYRFWFYBLORWGF-AWEZNQCLSA-N 463.516 0.894 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(F)c(Br)c2)c1=O 727165105 WSLOSXCPVUHSRF-UHFFFAOYSA-N 471.333 0.387 30 20 JCED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 729670895 AEKMKSRCVIMKJK-UHFFFAOYSA-N 459.593 0.697 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCS(C)(=O)=O 729670916 BCRSJNRKXYCCIN-UHFFFAOYSA-N 475.592 0.309 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1Cn1cccn1 831237584 NRROXFWFAZBBQS-UHFFFAOYSA-N 467.507 0.830 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 913243053 PNASEOAQXRQNLK-GOEBONIOSA-N 471.557 0.194 30 20 JCED CNC(=O)CN1CCC(NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 916692359 CNXVIMMLSYRGSD-HKOYGPOVSA-N 450.565 0.831 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 1359402407 ZSRMZMSWNFCNCA-UHFFFAOYSA-N 480.573 0.595 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cc(C)no2)CC1 1507869593 WJKKOFOLXUXUKT-KRWDZBQOSA-N 485.998 0.982 30 20 JCED C[C@](O)(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1510236612 TZRXODOHVLOGRU-IPJJNNNSSA-N 490.586 0.638 30 20 JCED CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1517442011 SYSYJOOUIVSHHB-UHFFFAOYSA-N 469.546 0.796 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1519531047 RIHUMXAIJRKKLE-SFHVURJKSA-N 478.600 0.866 30 20 JCED C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCNS(C)(=O)=O 1539587117 WAXFRSMBXTVNTI-UHFFFAOYSA-N 482.368 0.815 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CCC)C(=O)C1 1539804508 XLHVIELYRRGMHP-OAHLLOKOSA-N 460.988 0.812 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C(C)=O)CC2)c1 1554796933 PRDOQNDLFDFMAP-OAQYLSRUSA-N 469.546 0.855 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c3c(cc(C#N)c2=O)CCC3)CC1 1653108682 QMGQNQSQIZHPAC-UHFFFAOYSA-N 451.508 0.613 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1751228742 NJZAMYGBAVJVMY-GOEBONIOSA-N 466.612 0.227 30 20 JCED CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)c1ccccn1 1760813298 JPTHYTGVPWHIFZ-DLBZAZTESA-N 475.575 0.713 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777711656 HGDCVMYXXHCLED-AVBTWRTFSA-N 466.560 0.557 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H]1SC(=N)NC1=O 1778080834 MLHOBDXSQLVHRA-UOQJHVATSA-N 495.602 0.832 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COCC)CCO2)C1 1778920954 IQENOJTUHMWQQR-UZUQRXQVSA-N 498.577 0.658 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)OC)CCO2)C1 1778922216 YENYEXZFIAYYJN-MFEFFIJZSA-N 498.577 0.657 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](O)N3CCOCC3)C2)c(C#N)c1 1779415189 GEUYRWRVJBFMTK-IEZKXTBUSA-N 486.569 0.274 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](C)n2cnnn2)C3)c(C#N)c1 1780689121 XSTRSFBNCASABA-LERMDLETSA-N 467.530 0.871 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)[C@@H](O)C1 1781112803 DZZIKSZBXQFDNJ-CEXJFXJFSA-N 473.530 0.558 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1)n1cnnn1 1781207328 LVRWUFQLSUFMCJ-GKIWIXTESA-N 463.502 0.810 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(N)=O)C2 1783268635 FBGUTHNMQIWEOV-XCGNWRKASA-N 465.551 0.085 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1783269738 ZUKPZQHAEAKWAU-UTBIRPSLSA-N 493.605 0.010 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1783531364 WSDPTLWZOQKUMO-VHIDGVEPSA-N 479.537 0.617 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)c1ccc(O)cc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c1ccc(C#N)cc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786798426 RSAPVSKVXULSNU-TUFLPTIASA-N 485.585 0.932 30 20 JCED COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787628126 OEOJIUQPYNTIME-ANLIMLDFSA-N 463.535 0.652 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788111920 ZZLVAQFZXKWQLK-CADBVGFASA-N 471.620 0.211 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)C1 1791332419 CCOLEPWUFYVDFX-ANEIOGAWSA-N 487.557 0.852 30 20 JCED O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1792239157 PSDHXOPIPRQYBF-DLBXRIFTSA-N 464.569 0.539 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=S)NCC)C[C@@H]21 1792257338 TWZVSSOINQAHRN-XSLAGTTESA-N 495.646 0.367 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)[C@@H](O)C1 1792449515 FULCPASHYJFKLU-MDMSPXHWSA-N 464.563 0.744 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccc(C)cc1)C2 1792491324 LBLQDSOOMNQBOV-YTRCMYEKSA-N 454.527 0.173 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(=O)OC(C)(C)C)C2 1792491414 URHQYNJBVCYYCM-QAMZQJBHSA-N 464.563 0.738 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793052444 UJOZPKMKJGXHOE-BBIADKPPSA-N 495.580 0.473 30 20 JCED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)C(=O)c1ccccc1 1793227331 AVQJILQHEPOPSU-CEQLMSFQSA-N 455.559 0.630 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2)C3)nc1 1794427640 QQRGXWGFYWHTGO-XEMDLRDOSA-N 454.508 0.874 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795583167 OXGAWZQXSRUOCQ-KYHPRHEASA-N 456.609 0.737 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1)c1ccc(O)cc1 1795732311 QEDASFACVUMCBI-PRHHBONVSA-N 490.520 0.524 30 20 JCED Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C/N=C/c3ccco3)C4)cnc2c1 1797068682 XTFKPGSKGAAEAA-HFWGXOPJSA-N 463.494 0.918 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1797789832 HJHZDYBHRHEEDS-WOZUAGRISA-N 457.483 0.451 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798598925 MJKWBZJTOAMZMI-SCNOPHJPSA-N 472.502 0.683 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1 1799048041 SIIJIDOMGMLDMP-YQFPCMRRSA-N 472.517 0.392 30 20 JCED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)c(=O)nc1O 1799327466 VNFJTYHRFAQKEQ-UPHUGPLXSA-N 469.473 0.100 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1)[C@@H]1SC(=N)NC1=O 1799642161 CULPGSKVQSENIG-RPCVNMKUSA-N 455.540 0.758 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)OCc1ccccc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c1cccc(=O)n1C)C2 1802124784 IARWPVUABNZKAJ-CLWJZODNSA-N 472.542 0.505 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1802127049 FIQBDYGDXWZRIL-OREBXVKISA-N 462.547 0.113 30 20 JCED CN1N=C(C(=O)NC[C@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)CCC1=O 1804120726 XOLGKBXCPABGRX-XLIONFOSSA-N 453.547 0.977 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](COC)NC(C)=O)C2 1804375938 BVAKUSHKYFBVLK-PJVZLEMVSA-N 464.563 0.692 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CC2)C1 1804853819 RDRKOCYQRPRABM-YMTSHVIYSA-N 461.588 0.878 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)COCCOCCOCCOC)CC2)C1 1806008522 ZIYFAFGJGRIXIA-NRFANRHFSA-N 468.591 0.952 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807145296 IUNPAINCFFWIMG-VQIMIIECSA-N 477.529 0.414 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3c3cccnc3)c2c1 1807705399 DWCJOWHUXTVDSP-HBCLNWRISA-N 459.510 0.872 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810291570 HYPHEGXEISCFCV-HKJXJVSNSA-N 464.530 0.762 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1819900612 NEZUDOWJCRQNHA-LPDFAJDUSA-N 475.527 0.899 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)[nH]n1 1822197093 JMKAHMDBSADIBB-ABAIWWIYSA-N 454.443 0.496 30 20 JCED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@H]2NC(=O)NC2=O)CC3)c1 1823664516 ICPODZCEYZDSKC-QMTHXVAHSA-N 456.459 0.978 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2 1826647113 GGPCKZNYYHHUQP-RHSMWYFYSA-N 486.602 0.807 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)C1 1828468447 XMKHXBZSCQSLLY-TZMCWYRMSA-N 478.527 0.779 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1829762986 WURRBSPUNBSBMR-DRBYORDMSA-N 480.562 0.214 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1830466842 OAKNITYJGXFWKF-DEOSSOPVSA-N 475.973 0.870 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1831410805 FAJBBYGGBRKOFF-JOCHJYFZSA-N 476.555 0.809 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)c(O)n1 1831599774 SRJPRXWPQUQJCS-WAIKUNEKSA-N 460.531 0.487 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3nnc4cc(C)nn4c3C)CC2)CC1 1833075126 WDJXUOYDCHWWET-WAYWQWQTSA-N 494.600 0.785 30 20 JCED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1833290962 VEMRGQUJBFXGIQ-UHFFFAOYSA-N 450.624 0.613 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1833864425 FRXNTSDYXCWHKF-QHCPKHFHSA-N 453.499 0.993 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c1 1835096445 AENPEONPQGGPHK-XMMPIXPASA-N 483.546 0.607 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1835352171 PNRSSTVYWLVEHP-YKSBVNFPSA-N 454.527 0.795 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835667580 IWXNSOSLLAXKOA-DEOSSOPVSA-N 453.543 0.839 30 20 JCED COc1ccc2[nH]cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)c2n1 1835677453 IOVNGAPNUFXJDX-XMMPIXPASA-N 484.557 0.923 30 20 JCED Cn1nc(C(F)(F)F)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677621 LUFVYXSBEJAGLD-HXUWFJFHSA-N 486.495 0.791 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1835682954 ZQJLHGYNYWVXPH-CNVLFFCLSA-N 495.580 0.635 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1 1835768900 OELWBOSCEYQXTE-BHSKHCGUSA-N 461.567 0.769 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cccc1C=O)CCO2 1835958233 LYSJUJXLUZRAOX-MBSDFSHPSA-N 461.515 0.827 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836203932 SQXDBGDVFQSYNY-NTKDMRAZSA-N 489.573 0.565 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CC2)CC1 1836384744 MMUYOLZIVSUZFT-FQEVSTJZSA-N 491.633 0.953 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(NC(C)=O)cc3)CCO2)C1 1836662037 OAOAUURPQQSTAS-MHECFPHRSA-N 457.527 0.682 30 20 JCED O=C1Cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)ccc2N1 1836789490 GITWWBASNBMUKN-XGULTSQNSA-N 486.525 0.780 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837319452 UACZZDBUVZBJPJ-DYVFJYSZSA-N 453.414 0.349 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837461879 HRAKYXIWJMIUCO-JOCHJYFZSA-N 459.572 0.041 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837491735 WZBRSEJERUMBHY-DEOSSOPVSA-N 467.526 0.498 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493446 FXWKRFXWXBCZOY-XMMPIXPASA-N 457.527 0.363 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1837529592 VVOUULDBPVILNK-ZRINGLHMSA-N 471.514 0.933 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1838584771 FXDZGTYLMVXQDE-UGKGYDQZSA-N 477.539 0.214 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826815 ANWAAGYGDCVXOW-MFBSEBAMSA-N 465.463 0.522 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)CCOC1 1839190856 IBNXFZRVDKBIKC-ZEQRLZLVSA-N 492.573 0.820 30 20 JCED N=C(N)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)CCO2 1839345676 XQAOCZGVKZLZBK-SANMLTNESA-N 475.549 0.639 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1839866220 OWSUBBHGFKOFOZ-GAJHUEQPSA-N 482.578 0.568 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840009848 XLIMXNRFMPOMGF-VWMXVWASSA-N 491.541 0.178 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Br)cs3)C2)C1 1840042068 YPXOPJPKVPRPTO-QGZVFWFLSA-N 457.302 0.669 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840177417 ZEZHNBXMOLBJTK-PKTZIBPZSA-N 459.499 0.173 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)CC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251608 OYWLTNFWHQRDMN-SBUREZEXSA-N 465.547 0.988 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840272224 MHFLHGXMIMZMQK-KYCQWFEFSA-N 493.601 0.911 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN(C)C(C)C)CCO3)c(C#N)c1 1840566522 BBSZTDMNFFKTNG-XMMPIXPASA-N 458.559 0.906 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840771547 DXBUXSWALQTBJU-AVRWGWEMSA-N 498.536 0.987 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1)NC(=O)OC(C)(C)C 1840795430 ICHMVIBFCWDZRV-GAJHUEQPSA-N 482.578 0.438 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)C(C)C)C2)C1 1840912781 QSGNBAILZXZZAV-MCJPXMOYSA-N 481.590 0.929 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C1 1841231102 QFASBQYXLKHNRR-LUFHRXKISA-N 469.604 0.890 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841236890 WAACEVLWGZHKCH-KRWDZBQOSA-N 458.515 0.508 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C1 1842872174 GTIBYEKIIFGEDZ-DLBZAZTESA-N 480.610 0.937 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1845229516 CQGXFUCOEZDLNH-MRXNPFEDSA-N 451.568 0.747 30 20 JCED N#Cc1cccc(CCC(=O)N2CC3(CCCN3C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)c1 1845873378 MAIJUODNMPRJIV-VQTJNVASSA-N 495.605 0.874 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)ccc1Br 1848073440 DMHYXWLDHWDFNI-ROUUACIJSA-N 495.399 0.867 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1[N+](=O)[O-] 32832635 AJRQJDAOTIVOCS-LJQANCHMSA-N 453.521 0.964 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=O 104986120 BOLCPMJZHAIIMG-UHFFFAOYSA-N 479.459 0.911 30 20 JCED COCCCNC(=O)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 108407495 PZVNHKJQOAOFDB-UHFFFAOYSA-N 491.614 0.256 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1=O 504704181 UEPOJAMOONJRBY-UHFFFAOYSA-N 489.337 0.803 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)cc1 512420162 HVKIUNDDYPVBTB-UHFFFAOYSA-N 485.478 0.725 30 20 JCED CN(C)CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 516047283 CHRNPKDGBCGHFH-UHFFFAOYSA-N 485.566 0.970 30 20 JCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 516746264 FZUOVEJRJSVJBI-UHFFFAOYSA-N 481.553 0.733 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2cccc(Cl)c2)sc(=Cc2ccccn2)c1=O 589160349 HUJOMVHHHLWNGX-UHFFFAOYSA-N 488.978 0.893 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(=O)N(C)C 604269092 PTLIXGQUXNTILZ-UHFFFAOYSA-N 464.494 0.627 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(=O)N(C)C 604508418 DTHZABNPMYNXMC-UHFFFAOYSA-N 464.494 0.627 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828812 LUNIRHHTOUROIJ-UHFFFAOYSA-N 496.614 0.881 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCNS(C)(=O)=O 608912429 NBFYHNHIZVQNDJ-UHFFFAOYSA-N 486.978 0.279 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(=O)N(C)C 618433838 VCFLQZCBERCMGV-UHFFFAOYSA-N 461.565 0.130 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726584836 IMGVSGHBTZZKDH-UHFFFAOYSA-N 472.527 0.891 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 728533188 CJFMLNDUTYZPMF-IBGZPJMESA-N 477.543 0.032 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCS(C)(=O)=O 729671487 PGEMGKCOOCRRBE-UHFFFAOYSA-N 499.561 0.975 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 744990831 QWNWTYUZZAXADF-HZVDNRATSA-N 490.472 0.717 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 798361888 PQECJOUSLZBQMF-UHFFFAOYSA-N 480.524 0.090 30 20 JCED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 920396055 YOMPUBVJORDOAL-UHFFFAOYSA-N 456.436 0.569 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1292126684 SCFUUSYFLDZHJH-QAPCUYQASA-N 463.608 0.808 30 20 JCED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1313498651 UCJXPMJAXCKKQW-UHFFFAOYSA-N 455.519 0.550 30 20 JCED CC(C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359641404 NPLVYDXACUEKHV-IRXDYDNUSA-N 453.551 0.931 30 20 JCED CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1360370364 JYXCWSLHSZZELU-KNQAVFIVSA-N 475.571 0.997 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(c4cnccn4)CC3)CC2)cc1 1652862430 YTIUGTIJKJKIIA-UHFFFAOYSA-N 455.544 0.003 30 20 JCED N#Cc1c(NC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)sc2c1CCCCC2 1657880062 JYZIWJXQBBZKSB-SJORKVTESA-N 452.602 0.603 30 20 JCED CC(=O)N1CCC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1690801228 SNABFJGKHZKFMY-YLJYHZDGSA-N 483.570 0.311 30 20 JCED CC(C)C(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1691516264 WYBBCNANGVOQNQ-HNNXBMFYSA-N 450.503 0.693 30 20 JCED Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc(N2CCCC2)n1 1707293797 KNZCWMSJLPWRJA-AEFFLSMTSA-N 474.591 0.969 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC(F)(F)C2)C1 1712706421 LKABCRGKTSUDFW-KFWWJZLASA-N 460.507 0.775 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCC1 1723780094 PLBVUTXQYZPAJT-DLBZAZTESA-N 467.596 0.752 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)(F)F)C1 1761545731 XKSRTKZRPAHEHM-GUYCJALGSA-N 493.512 0.420 30 20 JCED CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1768114684 MDAPDVOQFUNIHT-OTWHNJEPSA-N 476.559 0.727 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCOCC2)c1 1768522375 IKZGUYMWSUQGBX-KRWDZBQOSA-N 476.559 0.466 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3ncnn3c2)C1 1779165485 GADFCWUNBBLKDH-AWWPTUBISA-N 452.515 0.715 30 20 JCED O=C(O)CSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779427929 DHWPKMQMKKPGSG-GNCOGQJQSA-N 457.549 0.847 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3C(=O)N(Cc3cccs3)CC4)C2)C1 1782553345 JNLWNDJHWAYJJX-HSZRJFAPSA-N 497.533 0.132 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782810357 NBFCNXKZLYIGLB-AOJNWGRGSA-N 483.613 0.734 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)CCO2 1783923127 GAQHIIKVIYSCEZ-DPSWKAHMSA-N 476.574 0.766 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)C1 1784015846 VPHPTSILXYQBIW-DNQXCXABSA-N 493.605 0.470 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784262780 KHIUQJBYMHJFNH-YCRPNKLZSA-N 452.508 0.089 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1785278787 QOYNXGALXJKFRP-XXXZYALBSA-N 454.527 0.690 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1)NC(=O)OC(C)(C)C 1785369800 QTCVIGYWNZUODL-MWTRTKDXSA-N 478.546 0.967 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786694827 UEODKVGGZBXDEF-NXOAAHMSSA-N 450.536 0.810 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCNC)[C@H]2C1 1786857529 PWNICXIYVVLYGY-OKYOBFRVSA-N 450.580 0.882 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC(F)(F)C1 1791076501 HZEYEEOCNASEOU-YVSFHVDLSA-N 499.511 0.946 30 20 JCED C[C@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)[C@H]2C1 1791192005 HZUIXHWTHNHYGV-QUSNUVHPSA-N 486.635 0.702 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1791221520 AAULKNWBVVYEEB-XSLAGTTESA-N 487.619 0.870 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1792258363 BCQSMPXRZFQRIR-QAETUUGQSA-N 492.602 0.793 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NCC=C 1792491396 SVENRSYDNLKSGX-QBWSZWEKSA-N 474.558 0.351 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792829386 DMUQEIDABMGUBD-KBMWQNTOSA-N 462.572 0.408 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2 1793593197 ATRURPNJPOQHSP-BASYENTBSA-N 461.519 0.855 30 20 JCED O=C(COC(=O)C(F)(F)F)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793729299 IOEROYZKFKHLQY-SRSLHRDFSA-N 468.278 0.037 30 20 JCED Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3(O)CCCCC3)C4)cnc2c1 1797068143 IDPKUCGLLIOKIL-BBIADKPPSA-N 478.549 0.905 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1O)C(C)(C)S 1798386295 ZZGCUCOVNBVSON-OCVGTWLNSA-N 495.602 0.987 30 20 JCED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(CC#N)cc2)C3)cn2[nH]cnc(=O)c12 1798467690 QIKWUTWCNXHREP-OPVJXMOQSA-N 460.494 0.914 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2 1799231590 HBVIMCOLIGJQFQ-DMUMMCEESA-N 499.630 0.708 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1799334659 RDGVPNYGCIBJRU-BFUACXKISA-N 484.553 0.726 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)c1 1800284131 ZWFVLXRTBICNAT-UPHUGPLXSA-N 481.465 0.540 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S)C(C)C 1800988854 WHZYCVDWCIMWPG-PCCRXHMLSA-N 484.619 0.266 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801991578 VVCAXKIIOBEGKB-FZKCQIBNSA-N 485.559 0.041 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801993003 CPMYXLCGBFEODZ-ABYCXSSWSA-N 475.542 0.985 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnc1)C2 1802124661 GTZKTYPNUXOWNY-SHJAMOMRSA-N 472.542 0.967 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)[C@H]2c2cccnc2)c(C#N)c1 1808179345 NDLJOBGEZKHVNO-NHTRMHBPSA-N 463.538 0.933 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(N3CCOCC3)n2)[C@@H]1c1cccnc1 1812878488 XZCDFZJRKMTBQK-FDDCHVKYSA-N 463.494 0.721 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CNC(=O)C(F)(F)F)[C@@H]1c1cccnc1 1813095717 JZSAGMZDZQYXGG-RVBASHTNSA-N 467.448 0.624 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)O)CCN2C(=O)OCc2ccccc2)C1 1829322513 PJZRVFVGXGGURX-GLDPYIMESA-N 457.527 0.858 30 20 JCED CN1CCN(c2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cc2)CC1 1829693721 UZFZMASDIXIBKJ-AREMUKBSSA-N 466.582 0.922 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C(C)C)CC3)C2)C1 1829762398 JEVLTTXWQJBMCD-VRWDYKOXSA-N 462.591 0.422 30 20 JCED CCn1c(-n2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)cc2C)cccc1=O 1830056049 KRSJZLFSPDMLRG-VWLOTQADSA-N 496.568 0.982 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1830886259 TXOKHQPJZXCOLA-YWZLYKJASA-N 495.495 0.837 30 20 JCED CC(C)C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1831000199 QESYGRNRPRBQNG-UUOWRZLLSA-N 495.573 0.860 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831142966 JIOFIKZLBGIYMK-CYFREDJKSA-N 457.527 0.253 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c(C)c3Br)C2)C1 1831396832 LSXNSIKZLDQBCL-FOIQADDNSA-N 483.363 0.599 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831432600 BZNLFTWWHAGZMP-FZZNZUPLSA-N 469.538 0.944 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2)NC(=O)OC(C)(C)C 1831614181 GCBYIHPHOATUJW-NXMSCROESA-N 496.605 0.814 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831723936 UWPXKMSUDPPXMD-HOOSLVGPSA-N 492.573 0.771 30 20 JCED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CCC1=O 1832381237 ZQGAGCPYDJHBFA-JOCHJYFZSA-N 457.462 0.376 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832530871 JKCFUWUDFOHVFX-BVZFJXPGSA-N 485.537 0.720 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CN3CCCCC3=O)CC2)CC1 1833076972 LUMDODMARGFVBP-SREVYHEPSA-N 459.591 0.429 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834321730 LBYIYFMFGRAIHV-UZUQRXQVSA-N 477.562 0.960 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)[C@H]1SC(=N)NC1=O 1835099675 QRXJZKVPFCGYMO-QUZZAMIASA-N 470.551 0.297 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1835103253 ZSMXUJDRNLJGCU-XMMPIXPASA-N 450.495 0.623 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CCC(=O)N4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1835127552 IQBBPRPBBWDEEC-LLJLJFOGSA-N 492.573 0.287 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835364282 PDQBARYSPXGUQY-MBSDFSHPSA-N 490.561 0.606 30 20 JCED C[C@@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1835525559 IODDWRPBASTLEW-ORAYPTAESA-N 455.437 0.637 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680810 LTRJCULNCBALOU-GCJKJVERSA-N 451.568 0.029 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)c(C(F)(F)F)n1 1836321983 TZGMDSYOXOWDCS-YWZLYKJASA-N 481.431 0.321 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837112523 FTPMZZWLGSQMEU-QNRXVKNXSA-N 471.514 0.933 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1837311751 NNOJJDQDNKNLOZ-YZUZCNPQSA-N 473.574 0.682 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486684 MKESEFLHWANGPH-OAQYLSRUSA-N 463.560 0.348 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1837529852 DZZDRCCQZVVLOP-ZFCBIQLQSA-N 477.518 0.100 30 20 JCED O=C1NCCn2nc(C(=O)N3CCC(OC4CCN(C(=O)/C=N/N5CCCCC5)CC4)CC3)cc21 1837581181 VCIHSMLYKXZNCC-YZSQISJMSA-N 485.589 0.710 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838257653 MJDTYLKRSFWGJL-YNKHZBRRSA-N 467.910 0.729 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732869 DDWYCCIRQWMKPR-SAQVGAHLSA-N 495.536 0.136 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c(C#N)c1 1839132526 JCHFGZSDDVKWFT-RPWUZVMVSA-N 489.525 0.182 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187661 PSFJMVVILXAKGI-HJPURHCSSA-N 458.490 0.387 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1839762060 UAEXUHTUTUNNJO-HSZRJFAPSA-N 481.509 0.848 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1839889432 UMZKTZUXYXQQOE-QFBILLFUSA-N 462.446 0.149 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840055321 OTIKUMCUSNFVBG-QMHKHESXSA-N 496.561 0.449 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1840159269 ZYCWHODGZWGVOH-VBKZILBWSA-N 451.570 0.838 30 20 JCED Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840388518 XJGYNIZVPDXBLV-RVZOMNRZSA-N 477.562 0.957 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)cc1C#N 1840763152 LAMSXQJINJUAMB-RDPSFJRHSA-N 454.527 0.943 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840802242 ZLZCQXGRUKDNIQ-UZUQRXQVSA-N 469.579 0.931 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840908601 COFQMEYRSJBZLJ-OYHNWAKOSA-N 477.518 0.102 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3)C2)C1 1840908609 CQPWLJZIMFZJKN-VGOFRKELSA-N 462.503 0.661 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1847805040 KBRDVUGYTVMHTF-YYWHXJBOSA-N 475.567 0.561 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O)NC(=O)OC(C)(C)C 1848070688 UWNKVJHLUVEWLU-PMPSAXMXSA-N 463.535 0.600 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 16230925 INLAGDVPCCOAOQ-UHFFFAOYSA-N 465.528 0.884 30 20 JCED CCc1ccc(-n2c(=C(C#N)C(=O)NC[C@@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)cc1 502058925 UIIGQMRDDBCICQ-IBGZPJMESA-N 463.563 0.993 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)CCN3CCOCC3)CC2)cc1 502544598 FSNLTFUHZYSREJ-UHFFFAOYSA-N 463.604 0.376 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 504116072 KPGCNKJNPUMUMK-UHFFFAOYSA-N 469.570 0.483 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCc1ccccn1 523181256 DQFBYKYCDZAANP-UHFFFAOYSA-N 492.557 0.584 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 523255107 FXAVEVSBTDVTAD-UHFFFAOYSA-N 494.598 0.985 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 590983596 RJHZTUCQFPNCDY-UHFFFAOYSA-N 488.585 0.809 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)Sc1nnc(S[C@H](C)C(=O)NC(=O)NCC=C)n1C 603565508 XIPPRWXARJRYMW-PHIMTYICSA-N 455.566 0.800 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(C#N)c(Cl)c2)c1=O 608827661 NHTWOGSHNWBPDD-UHFFFAOYSA-N 450.911 0.939 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(=O)N(C)C 609074989 YYHGVOIVIIJJPF-UHFFFAOYSA-N 496.511 0.461 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)CC1 728536162 MSVIWSODMHWOBL-YZILGEIOSA-N 478.640 0.592 30 20 JCED CNS(=O)(=O)c1cc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1C 748576484 ZNSPTLXKPPMFTE-UHFFFAOYSA-N 480.524 0.124 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2cnn(-c3ccccc3)c2)c1 853721011 UMJXYGLJQHDPNV-UHFFFAOYSA-N 453.480 0.882 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)NC(C)(C)C 914764805 OQRSDFTTYMNDIW-OAHLLOKOSA-N 458.606 0.974 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)CC1 914851574 JHLMNIQCHPSIBY-UHFFFAOYSA-N 459.484 0.749 30 20 JCED Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cnc(C)s3)c2=O)c1 917774389 LNAXSNFRYMFLIR-UHFFFAOYSA-N 495.630 0.924 30 20 JCED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 918475675 ANSZIXKSCMWEFK-UHFFFAOYSA-N 468.539 0.441 30 20 JCED Cn1c(=O)c2sccc2n2c(COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)nnc12 918872777 QXJVFMDZMBXQOE-UHFFFAOYSA-N 458.481 0.425 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 919524391 CRGZIEPGMVILMN-UHFFFAOYSA-N 499.549 0.812 30 20 JCED C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[C@@H]1CCS(=O)(=O)C1 919988836 FYBBLMOOAPOZNH-HZPDHXFCSA-N 468.553 0.825 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C(C)(C)C)c3)c2=O)CC1 920397455 LESDTVBOJXSMHJ-UHFFFAOYSA-N 454.600 0.910 30 20 JCED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCOC[C@H]1C#N 1191627918 ZNQMKKHHAKXOBP-MRXNPFEDSA-N 452.533 0.658 30 20 JCED CCN(CC)S(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1225937806 MAQXMTMYYMCSIC-JKSUJKDBSA-N 458.585 0.659 30 20 JCED N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 1293903527 ZCVPJGHDOHNLEH-AWEZNQCLSA-N 451.321 0.749 30 20 JCED CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1314632467 RYTWDGYRFJMTKF-UHFFFAOYSA-N 452.563 0.895 30 20 JCED CO[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1315691862 QYTVVXRTVMIDBF-VQHPVUNQSA-N 454.553 0.155 30 20 JCED C[C@H](CC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1452164428 OBFIJRKDBBPWLN-CQSZACIVSA-N 456.528 0.346 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CCc2ccccc2)n1CCNS(C)(=O)=O 1494137634 SIARHUNZHDVHRW-GOSISDBHSA-N 495.613 0.989 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CC1 1502343170 KRLXVOGBHKZNTP-UFYCRDLUSA-N 496.682 0.623 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1610304778 JENHMNUCAAGLFM-SFHVURJKSA-N 474.591 0.703 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1611308526 RAKFSPVONZYMFZ-RDJZCZTQSA-N 462.580 0.859 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1615938653 KYAXGGYUKPXTBF-QFIPXVFZSA-N 455.588 0.943 30 20 JCED COC(=O)c1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1621629356 SBZRUGALKLFQDJ-UHFFFAOYSA-N 450.498 0.435 30 20 JCED CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1640947743 SQZLLUVRFLXCLD-UHFFFAOYSA-N 457.560 0.773 30 20 JCED CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 1690866452 SFBDLXJWZXQWHN-UHFFFAOYSA-N 494.604 0.174 30 20 JCED CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1691364586 QXFCSJUEHDMXAI-UHFFFAOYSA-N 453.547 0.568 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2c(F)cccc2F)C1 1712706586 NGVYHEBDFOQVDQ-KSSFIOAISA-N 482.513 0.861 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1727225986 VMXBGEVAYRXXLR-APWZRJJASA-N 492.650 0.655 30 20 JCED CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1727261375 WYZBJRSJTHCHLG-WBVHZDCISA-N 462.580 0.907 30 20 JCED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1731003712 JRCWBCYJVUTHEZ-UHFFFAOYSA-N 471.587 0.652 30 20 JCED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1731187438 PUNONSHPSSRIBB-LSDHHAIUSA-N 464.573 0.966 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CC1 1747545061 YEQRGOYXBKCLNW-UHFFFAOYSA-N 467.574 0.959 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1767844770 QAXQLPISYYEBAK-UHFFFAOYSA-N 453.532 0.483 30 20 JCED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1768529383 UFCNEXADKKCELQ-SFHVURJKSA-N 487.586 0.821 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1778116973 JPCNWYOJCVTAFZ-QHCPKHFHSA-N 481.615 0.187 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cccc(C#N)c3)C2)CC1 1780349841 IXQZWXUDYLKSDT-RCZVLFRGSA-N 467.570 0.850 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1781290173 FTSONWLEYJFGES-YCRPNKLZSA-N 452.556 0.159 30 20 JCED Cn1ncc(Br)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010009 FIOMNCZIHVLJSU-FZKQIMNGSA-N 453.293 0.398 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1782069880 VFDRRPZQYMCZGR-ZJSXRUAMSA-N 466.575 0.610 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782671513 ZMHSBQKYTCJVFQ-SBUREZEXSA-N 458.515 0.539 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1782893074 FVUCTJFULDXMDG-OPAMFIHVSA-N 450.536 0.211 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1783168156 YVFDXQOTUSBIMM-DGGJZMOXSA-N 462.547 0.518 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783443255 OXYHVZOYGORSDQ-CMOCDZPBSA-N 456.543 0.622 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13CCN(C(=O)OCc1ccccc1)C3)CCO2 1783567005 CMRYIHHRBIWGIZ-LZYPDUGYSA-N 495.532 0.953 30 20 JCED CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567803 APBIAAVJKKMIHH-LZFQIVBZSA-N 451.520 0.844 30 20 JCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4C(=O)Cc5ccccc5C4=O)[C@H]3C2)CC1 1784160019 CCYXIDCSETXGEH-IHPCNDPISA-N 464.522 0.885 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)CCO2 1785424742 KHOWGRQKBKCFLD-QFIPXVFZSA-N 458.540 0.085 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1787125369 OIIVYDAWSKLWCT-TXTPUJOMSA-N 487.557 0.850 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789927732 APUSLOUVNGOMJY-OYSTVDSJSA-N 483.606 0.815 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077732 GOBBBSXTGXXIDI-DAWKRRPCSA-N 461.515 0.454 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1792258420 CSYVKVUMKIYXNE-VMXHOPILSA-N 476.574 0.409 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792582574 ACCYVOXZYKMUER-GQUPQBGVSA-N 490.601 0.799 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1793598998 LAKVLLILRSQMAF-FZKCQIBNSA-N 488.545 0.248 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797103105 UBQDRGCVONGXCX-RMHZUWNSSA-N 470.555 0.728 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1C[C@H]2C[C@H]2C1 1797640415 YCZLQUXOKHRLHU-FAXLKHNMSA-N 474.602 0.833 30 20 JCED Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/O[C@@H]3CCCCO3)cnc2s1 1797811614 CVTPWZGKDLEGDN-OUXOOEHQSA-N 489.554 0.797 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1800997228 XWFABWYZHHVAGQ-OPMZPASUSA-N 476.574 0.459 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C 1801244900 UNALGNIVTJTRAN-BIYBGRMPSA-N 467.592 0.753 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 1802124626 CSYHZVLOHYRENU-MHORFTMASA-N 487.557 0.507 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(C)=O)C2 1802282598 KNGGUAJNMAEYTJ-MHORFTMASA-N 495.577 0.566 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1804406363 YTSREYBWXIDSGM-VKPIURLWSA-N 475.546 0.692 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2c2cccnc2)c(C#N)c1 1807614637 SIWZZSAJXJKJBF-MBSDFSHPSA-N 460.498 0.897 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1808406900 HTIWSDVCKKKABT-QFUCXCTJSA-N 462.572 0.551 30 20 JCED C#CC(=O)NC[C@H]1CCN(C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1812531030 VJKVTUHNGQDIPY-FOIQADDNSA-N 465.535 0.575 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812905429 XERDIVHVVUECAM-DCXXXQMHSA-N 486.525 0.546 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815690778 LQRUYQPPOUPSBG-OCCSQVGLSA-N 474.547 0.658 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)sc2C1 1816976103 KIFDBGCIYSAFDW-NFAWXSAZSA-N 466.560 0.979 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)Nc1nc3c(s1)C[C@H](NC(=O)C#CC(=O)O)CC3)C2 1824794085 SPEWKMKZFRPWET-CHWSQXEVSA-N 485.522 0.779 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CC3)CC2)n(C)c1=O 1825105363 NBVXUPGGWUUEER-QGZVFWFLSA-N 481.557 0.357 30 20 JCED C=CCCc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)c(O)n1 1825323318 ICPSROXOOJTYRX-INIZCTEOSA-N 489.598 0.875 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1828579668 JEOBUPIAZQRVTB-DFBJGRDBSA-N 484.553 0.742 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)N(C)C)CCN2C(=O)OCc2ccccc2)C1 1828936361 UJGRIOUSFKNTGM-AOMKIAJQSA-N 462.572 0.845 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(C)=O)CCN2C(=O)OCc2ccccc2)C1 1829300876 OBCXQQNBSODNSC-UQBPGWFLSA-N 484.553 0.613 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330698 OMSQTCGPLZQQFC-UQBPGWFLSA-N 481.505 0.565 30 20 JCED CCOCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332472 MTIVTWCRNATDDI-QHCPKHFHSA-N 457.483 0.563 30 20 JCED C/C(=C/C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)C(=O)O 1829335305 ZREMUAVZMUEUOC-OPUIEBAWSA-N 483.477 0.557 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1829344836 CCCAVQYWCXCOIQ-HYFFOGBASA-N 462.572 0.891 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829373194 KDZGPZBYDOBDEQ-CYFREDJKSA-N 452.511 0.598 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)C1 1829770220 FXVQATHECUYEMO-KSEXMQBYSA-N 459.547 0.636 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(Br)c1 1830798361 IOAKMXUUVIUBMA-NRFANRHFSA-N 495.326 0.545 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3c[nH]c(C)c3C(=O)OCC)CCO2)C1 1830941010 HSQBGKCWWSRXGB-DFBJGRDBSA-N 489.569 0.927 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CC(=O)N(Cc5ccccc5)C4)CCO3)C2)CC1 1831111223 AWWBXJDLKHXDSR-CJFMBICVSA-N 466.538 0.795 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1831437645 FOVBKPHSNUZZLG-IECBHUPTSA-N 459.543 0.852 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832048352 BAPDNQSSULVLSJ-HOYKHHGWSA-N 495.573 0.962 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832724500 UQMRGUOHJXLYTH-GHTZIAJQSA-N 450.561 0.222 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833235815 UKEHMTVZWGVWEU-SBUREZEXSA-N 492.577 0.745 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnn1C)CCO2)c1ccc(O)cc1 1833236737 RKJXKXITUWZDSA-NTKDMRAZSA-N 467.526 0.788 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n(C)n1 1833443585 ULHFRIFYCVEHBL-RRPYSREYSA-N 465.507 0.028 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C)nn2C)CCO3)c1 1834162128 BJIDSVGCHSCUSG-QHCPKHFHSA-N 453.499 0.993 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834756013 ILCIXDWESRIVKW-JPYJTQIMSA-N 488.545 0.545 30 20 JCED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835338563 LONIRLJRUZFSCP-HSZRJFAPSA-N 460.531 0.924 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5c4CCc4ncccc4-5)C3)C2)CC1 1835345098 CQTJUVOWBGRUSH-DEOSSOPVSA-N 462.510 0.944 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1835517257 ZCVSMGYJPNZSMO-AOMKIAJQSA-N 497.618 0.635 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1835708508 HHLHJHKOJKKGGS-KRWDZBQOSA-N 465.595 0.775 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C(=O)Nc3cccnc3)CC2)CC1 1835801983 BLAXMVIFNUICFH-WAYWQWQTSA-N 468.558 0.450 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CNC(=O)c5ccco5)CCO4)C3)c2c1 1836130844 TZHQAUJCFXUJSQ-XMMPIXPASA-N 492.492 0.528 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nnc(Br)n4c3)CCO2)C1 1836256486 OWAKIRGWDCZWOG-XIKOKIGWSA-N 484.376 0.880 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836762664 XTOZVJWGBXUCGD-XMMPIXPASA-N 464.607 0.599 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)C[C@@H]5NC(=O)NC5=O)CC4)CC3)c2c1 1837116567 HQZONXQKCIRUDZ-IBGZPJMESA-N 493.524 0.645 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1ccccc1=O 1837690172 MKQWAJMZWIHAEB-UQBPGWFLSA-N 480.521 0.816 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837838113 UDZBFSAXJWQUPC-HXUWFJFHSA-N 452.895 0.709 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838341369 SHOZKLKQEUSVTE-DVECYGJZSA-N 488.541 0.307 30 20 JCED O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)CN1 1838404460 QMJMPJACOQECRN-SDHSVNELSA-N 450.536 0.650 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCN4C)C3)C2)c(C#N)c1 1839131558 KRLVIVLOAHUKSS-XUZZJYLKSA-N 456.543 0.660 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1839173988 ZGRNEPPOOLIGPE-HSZRJFAPSA-N 474.514 0.619 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1839388937 LPNSJGMCVFNWKP-WDKBRQFPSA-N 459.499 0.251 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(Br)c1[N+](=O)[O-])CCO2 1839409468 BLTOAMJWTMRLIV-LJQANCHMSA-N 496.270 0.515 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)CC1 1839421170 ZFSUFTDUEZRESH-QHCPKHFHSA-N 459.522 0.015 30 20 JCED CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839422463 WEDUUDQULSETRR-NQIIRXRSSA-N 451.520 0.881 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](CCN(C)C)(Cc3ccccc3)C(=O)O)C2)C1 1839810160 HANJVBKLCAWVJM-JWQCQUIFSA-N 471.554 0.341 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839891292 XCJPUBFKXGMDRL-KRWDZBQOSA-N 463.528 0.515 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1)C(F)(F)F 1839892887 JCLJKXKFZVMDAH-IFXJQAMLSA-N 471.436 0.170 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840037805 RROXYIPUARJGOY-LXFCCGDJSA-N 483.565 0.926 30 20 JCED C[C@H](N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C1CC1)c1ccccc1 1840044343 DQVCKUHXZQBSFA-VVMVZBAXSA-N 469.538 0.660 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1840176910 KHWZJZWXKXFYMZ-DHIUTWEWSA-N 478.929 0.764 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1)c1ccc(O)cc1 1840220823 FQFGFOJGIOUDJF-XTJBDQBJSA-N 453.539 0.874 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cocn3)C2)C1 1840906927 LTXSYMHBYVZBNB-ZHRRBRCNSA-N 462.503 0.661 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1840909361 RZROYQFZQZIZJA-GLYQVZKVSA-N 478.590 0.502 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842921666 KEICKONQXBNPOB-MRXNPFEDSA-N 479.578 0.928 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301658 AHONGHCWOOHKKX-IMDIYXNQSA-N 468.551 0.995 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1845189005 HLQLJJAUBBTIPW-INIZCTEOSA-N 453.536 0.975 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 33090217 PQFFLTIFOCYNCI-UHFFFAOYSA-N 463.541 0.420 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccc(F)c2)c1=O 501765562 MDRHUXCKFXLCJE-KRWDZBQOSA-N 473.526 0.800 30 20 JCED CCc1cccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccnn3C)c2=O)c1 502047054 VOJOEEXHRGGMAY-UHFFFAOYSA-N 451.552 0.851 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1=O 504741802 MYRBKJRZTUJQAF-UHFFFAOYSA-N 489.337 0.803 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C)n3)c(=O)n2CCc2ccccn2)CC1 522387245 FKCYRNCCYODEKB-UHFFFAOYSA-N 494.646 0.980 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)c1 589156935 FASWMTHPGQNBTB-UHFFFAOYSA-N 463.515 0.806 30 20 JCED C[C@H](c1ccccc1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccnn2C)c1=O 604004929 SWORDVCYHDJKKP-GOSISDBHSA-N 492.605 0.204 30 20 JCED C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc2)C[C@@H](C)O1 604131813 XGPJSYIRNGPNIE-ZIAGYGMSSA-N 453.503 0.800 30 20 JCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(I)cc2)CC1 728572871 OIOSGMPERYMJTC-CQSZACIVSA-N 454.312 0.985 30 20 JCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)c2)c1 748114613 WNIRFZSVNLUUNY-UHFFFAOYSA-N 499.545 0.590 30 20 JCED Cn1ncc2c(N3CCN(C(=O)CN4C(=O)N[C@@](C)(c5cccc(C#N)c5)C4=O)CC3)ncnc21 750964215 ZIMGGOCVQUPYEX-QHCPKHFHSA-N 473.497 0.351 30 20 JCED NC(=O)c1ccc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 917118205 ARYWULIEWRWGFU-UHFFFAOYSA-N 456.528 0.348 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 918269198 MZXLHXLVMVLLGZ-OVVQPSECSA-N 469.527 0.933 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 918383047 GCOHIIWZOPOFBO-UHFFFAOYSA-N 464.544 0.407 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 918617636 YKUSZMKKBPDMHN-XSAZEUPQSA-N 482.584 0.474 30 20 JCED CCN(CCC#N)C(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 918806056 IEURDILVDPDXKI-UHFFFAOYSA-N 478.571 0.914 30 20 JCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)[C@H](C)C1 1286876842 NLJZKKOJVICOHR-QVKFZJNVSA-N 458.544 0.423 30 20 JCED Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)cc1C 1289743596 QUKQAAILUYLJOL-SFHVURJKSA-N 473.559 0.912 30 20 JCED CCCc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1 1291722393 OKNOOOGEPJONEI-UHFFFAOYSA-N 459.528 0.696 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1541568498 WYTXBVVOTHSVFB-HOJAQTOUSA-N 494.666 0.422 30 20 JCED N#Cc1ccc(OCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1Br 1546242095 QMUQNUKNTQEPHZ-JKSUJKDBSA-N 458.334 0.314 30 20 JCED N#Cc1ccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(Br)c1 1559612937 RIJVUKSYVATSDT-MRXNPFEDSA-N 455.378 0.742 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1593887382 ZGMAXPDGERPIEN-CYBMUJFWSA-N 452.002 0.793 30 20 JCED C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)C1 1611775047 RAGCOJKJVNUFQQ-NRFANRHFSA-N 489.627 0.897 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1620169354 NZTCKCNFULWEQS-AUUYWEPGSA-N 462.511 0.791 30 20 JCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)[C@H](C)C1 1690840415 MYJVIWQXOVJBAH-VFNWGFHPSA-N 458.544 0.423 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1 1690870492 QQWIMFZCNOPIOZ-UHFFFAOYSA-N 489.602 0.374 30 20 JCED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1696333439 WQCLIDIKRCFLOR-GOSISDBHSA-N 474.591 0.689 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC(=O)N1C 1708234302 LLHKFTJGWCTNJS-INIZCTEOSA-N 473.559 0.431 30 20 JCED CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1710299302 XHWFZEJZGUJDOQ-AZUAARDMSA-N 493.682 0.092 30 20 JCED C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1724015803 NQOKLUWSRZYSCJ-DYESRHJHSA-N 457.560 0.942 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1741133157 ORPALURAXCSARN-GJZGRUSLSA-N 455.585 0.369 30 20 JCED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1=O 1749860974 UJZODLWWFRQBAZ-LJQANCHMSA-N 481.557 0.607 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760374498 QPEGLOOMGOZJPC-CABCVRRESA-N 482.028 0.767 30 20 JCED CCS(=O)(=O)NCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1768302253 GPMCNADFCZWBKB-GOSISDBHSA-N 461.596 0.256 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1777994550 UQSSCLSFKJTLGH-WRAFWBCBSA-N 465.510 0.305 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)N(C(=O)OC(C)(C)C)C1 1778005195 AALDTUYCHKUWRM-VOLVWJTLSA-N 465.595 0.352 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1)C(C)(C)S 1778941484 AEIFEQKLEMJXHN-VFNWGFHPSA-N 483.591 0.294 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1779100445 AAVCVIJMFGEUEL-GIFRWZEPSA-N 460.487 0.841 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1779102341 GVRNNSPPWXSGNM-XGVOGHQPSA-N 463.491 0.072 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CC(=O)NC2=O)C3)c1Cl 1780097250 FMAFWRDYVWHFRC-OPAMFIHVSA-N 473.917 0.891 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1780739392 HQVIYXZXBNWCAN-OPAMFIHVSA-N 472.502 0.055 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781110995 HEGPUIBKLMNVJA-GSHUGGBRSA-N 469.604 0.963 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782800675 JCZMQMNWHVPUMK-DQEYMECFSA-N 485.537 0.170 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(N3C(=O)C=CC3=O)cc2)C1 1783060015 ZYSACHUUEFHKDL-HOYKHHGWSA-N 465.462 0.332 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783130893 WHQBCBFWQOYINC-XTQVGHSUSA-N 492.598 0.779 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566684 YKKZKNQLMYAAEJ-JWQCQUIFSA-N 485.537 0.170 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](CC)NC(N)=O)CCO2)C1 1783766259 IMPPPEFFFAJPTE-MCFFVMPBSA-N 467.567 0.733 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO3)N(C(=O)OC(C)(C)C)C1 1784089791 HKOIMYXDVDPFSM-YGKZAACZSA-N 496.561 0.446 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785349633 IAJVRJKMUCNNJK-DFBJGRDBSA-N 494.633 0.942 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785517095 PXYUDWXJYIHAOH-WOGXIUBCSA-N 497.589 0.846 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1785571967 GEOGKSPLFDQSSF-BXKMTCNYSA-N 485.541 0.541 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786694828 UEODKVGGZBXDEF-QAETUUGQSA-N 450.536 0.810 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C[C@@H]21 1786859225 YFUWTWULFQQJOI-OZIGNCPNSA-N 469.542 0.983 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787496723 UXXJIPLAQOCXBY-YXMSTPNBSA-N 464.592 0.050 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788564673 IBVPIBCQYCGJHR-RSNWXYCUSA-N 453.540 0.203 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1789892150 KVHVGERAIIFJRI-FPXQBCRKSA-N 469.535 0.319 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCCS4(=O)=O)[C@H]3C2)c1 1790748790 BJRJSBRUZXAWRZ-MVJPYGJCSA-N 461.540 0.737 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)[C@H]2C1 1791077659 CGHXODXICHUYEG-HLXURNFRSA-N 489.569 0.947 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)NC=O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791379050 TUYVQOOZXRPDNM-BCYZHJNNSA-N 464.563 0.666 30 20 JCED NC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)cc1 1791894999 OQKRDTSVWYVKSY-PUMFNZCPSA-N 458.515 0.908 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1795894171 PHADZXBHQPOFNY-QEOTZNIISA-N 450.536 0.496 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797810381 QFEMGYOKIJUVAX-ZRXLOQNZSA-N 498.577 0.381 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C(F)(F)C1 1800778849 SPZQSOYIWJVZGG-BASYENTBSA-N 485.484 0.556 30 20 JCED O=C(CNC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc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c1cccnc1 1803918913 RPGBQNCROMGVIQ-XMSQKQJNSA-N 466.542 0.684 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1808836061 CLFKFDBVHFHTHT-SLYNCCJLSA-N 479.603 0.619 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c1 1811712582 OSLTUGOCTNMBHN-KKSFZXQISA-N 464.457 0.964 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1815670665 DWDZAUFHPMSVSB-IBGZPJMESA-N 491.614 0.831 30 20 JCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ncn4nc(N5CCOCC5)ccc34)sc2C1 1815916431 YOKXGFBIRSAYOQ-ZDUSSCGKSA-N 495.521 0.336 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)C1 1820798268 QSRUCEGVOHSUSS-KBMXLJTQSA-N 475.502 0.718 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1 1825661675 ZWSFCEUSALMFMP-UONOGXRCSA-N 490.563 0.819 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/O[C@H]2CCCCO2)CC1 1826823318 VKACGHIVILCILL-ITFWABFYSA-N 451.568 0.728 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(O)O)CCN3C(=O)OCc2ccccc2)cc1 1828517424 ATRSYXQSJODVEV-SANMLTNESA-N 492.532 0.864 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828578976 APCONWSGSCYXQL-YADARESESA-N 495.540 0.164 30 20 JCED CN[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1)C(=O)O 1828806012 IEACHKOPZQKFKV-JPYJTQIMSA-N 471.514 0.415 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccc(=O)oc3)C2)C1 1829332358 HMLHBJGHPPGQBU-VWLOTQADSA-N 493.472 0.794 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C3)C2)C1 1829675225 RTUVMPALGZBVJL-SBUREZEXSA-N 480.562 0.178 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccoc4c3)C2)C1 1829766289 QAJDNNZSDJMLQW-GYLQWBMOSA-N 454.483 0.756 30 20 JCED CN(C)c1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)o1 1829900362 BVOSGCHDVVNJHF-QHCPKHFHSA-N 453.499 0.925 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1830300456 OQAIEUKIWJOMID-MFEFFIJZSA-N 469.579 0.929 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460161 BHLKSAMMEGHKKN-NZQKXSOJSA-N 474.514 0.012 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)C2)C1 1831387432 HWHZABZRMDVNEO-DBECHEOZSA-N 491.585 0.879 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)C2)C1 1831403919 BHJXHMIXKGRDID-XMODTWTHSA-N 497.564 0.829 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1831406186 YSUFEMKRGASAPB-JOCHJYFZSA-N 465.572 0.917 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1831485243 SGHYDSNXIIEJBA-PXNSSMCTSA-N 455.602 0.889 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1831997602 DKFTVUNVYNGWEU-NTKDMRAZSA-N 490.557 0.859 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1832452783 HITBNWCSZIRIOA-FDDCHVKYSA-N 499.630 0.998 30 20 JCED CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832549948 YFAYBXYNQQLXIL-GAJHUEQPSA-N 481.546 0.614 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833027737 QZXDAUYTRXXIEZ-HXUWFJFHSA-N 453.586 0.854 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cccc(=O)n3O)CCO4)c2c1 1833475554 RXTTXYFNZWCBFP-HSZRJFAPSA-N 478.465 0.217 30 20 JCED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n[nH]1 1833826627 QOFOBSJXWVAUJH-HSZRJFAPSA-N 477.481 0.744 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100140 BQHROKNPKGJDDX-UQBPGWFLSA-N 477.521 0.103 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835381552 SDWRXFVHCVBNAC-JPYJTQIMSA-N 468.595 0.864 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1835673009 QVQVAESXBZXGOS-XMMPIXPASA-N 481.557 0.619 30 20 JCED CN1Cc2ccccc2C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675524 UJASZEQFUFBXRO-NVQXNPDNSA-N 483.613 0.781 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cc2NC1=O 1835677402 HPEXYHJUHLDKIQ-SSOJOUAXSA-N 499.568 0.758 30 20 JCED CS(=O)(=O)CCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835769057 QONWLFAGCDEBLS-IFRHDIGASA-N 472.608 0.522 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2)C(=O)O 1836321866 NTOHRQBTPCTZKA-FOIQADDNSA-N 499.446 0.105 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1836590607 ZXVILVODSAJSAV-XZOQPEGZSA-N 479.530 0.178 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)CCO2 1836723533 LPUJNYYGDRLMNL-UUOWRZLLSA-N 479.574 0.738 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1837392356 DJVOOZJZLWUBSD-YZZKKUAISA-N 453.580 0.567 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1837396885 OEUPTLOBJJLDEI-SBUREZEXSA-N 472.546 0.384 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1837400231 AAUHTSGYAIXPAP-SBUREZEXSA-N 491.497 0.967 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)C1 1837487066 WBHZQOPUYUPIAC-DFIYOIEZSA-N 476.570 0.731 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2ccccc2=O)CCO3)c(C#N)c1 1837689184 PHOCDDKZZYOFEF-BCHFMIIMSA-N 494.548 0.989 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838578327 HSYPAOHQCMQLCA-UUMVVRSSSA-N 468.510 0.495 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)c4ccco4)C3)C2)c1 1838578709 NKFUQPPOQAWADT-OFNKIYASSA-N 455.467 0.963 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(OC)cn4)C3)C2)c1 1838580645 PAOZDZCHQQHYOS-HSZRJFAPSA-N 467.482 0.749 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)N4CCN(C)CC4)C3)C2)c1 1838584803 HLNJZZOOCZDLBX-DFBJGRDBSA-N 485.585 0.273 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)c(C#N)c1 1839131385 FDNTWMDMCJBYIM-DEOSSOPVSA-N 495.492 0.368 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1839175095 OZDLYCLGXZZSFO-JTSKRJEESA-N 461.519 0.243 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@@H](C(=O)OC)C3)C2)C1 1839176538 UEMOBLFJRRPNEO-XLNZFTOWSA-N 480.558 0.932 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1839184813 DFQILHSRPSDRIZ-QQMNAOGKSA-N 496.561 0.411 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)ccc1F 1839187840 ANYWNBATKVMENY-XMMPIXPASA-N 472.517 0.709 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Br)cnc3Cl)C2)C1 1840042171 FPZOTMRWGRBBFP-GOSISDBHSA-N 486.706 0.656 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043540 FJHNAFZPRDQUJA-HOYKHHGWSA-N 491.541 0.228 30 20 JCED O=Cc1ccccc1-c1cncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044561 LQPSVVXFBDQZJQ-VWLOTQADSA-N 477.473 0.719 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840162648 CVVDNIIWTYZTNV-BXTJHSDWSA-N 461.581 0.037 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840170940 FEXPARRMOIQSBO-YZZKKUAISA-N 467.563 0.637 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)NC(=O)OC(C)(C)C 1840795851 FZFIRABTGXPISX-XMODTWTHSA-N 496.605 0.025 30 20 JCED Cc1cnn(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c1 1840819375 HGQYJWPNVOUOQF-HSZRJFAPSA-N 453.499 0.599 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1841298866 XHFQZRZNYXNUDV-HHSFNTRKSA-N 454.524 0.604 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1841603450 OOONIIUMGPVYAN-INIZCTEOSA-N 460.531 0.994 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842909770 MXBNYYMSOPJEGP-QGZVFWFLSA-N 460.579 0.727 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843131156 BNMGVAZYVCZDHT-UHFFFAOYSA-N 455.496 0.606 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(N)=O)C2 1844215539 RMQUXBNLJGEUBU-OAHLLOKOSA-N 481.550 0.261 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(OC)c2)c1=O 501770020 LEIYOBNUECKUKV-UHFFFAOYSA-N 455.536 0.997 30 20 JCED Cc1nc(COc2ccc(C=c3sc(=C(C#N)C(=O)N4CCOCC4)n(C4CC4)c3=O)cc2)no1 516828743 GDOCBRLMIXFRLI-UHFFFAOYSA-N 493.545 0.877 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O 608911292 ZAGCRMKSYCJRRR-UHFFFAOYSA-N 468.457 0.364 30 20 JCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CCNS(C)(=O)=O)c1=O 608913110 USQLRHKWACKWMG-UHFFFAOYSA-N 482.587 0.909 30 20 JCED CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 609026265 WLPKXZIGJBVSET-UHFFFAOYSA-N 491.595 0.436 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)CC1 728532847 MGIDJDGAMGYTEU-UHFFFAOYSA-N 455.515 0.088 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(-c3ccc(F)cc3)c2)c1=O 728557973 WQOOSSWROAYPRZ-UHFFFAOYSA-N 497.552 0.633 30 20 JCED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 913243049 PJKWLJIDBKFMET-FQEVSTJZSA-N 486.554 0.543 30 20 JCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 915777719 NNTDOHYWKCYXFC-UHFFFAOYSA-N 458.500 0.141 30 20 JCED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286530698 QIULSEMJOITUNU-UHFFFAOYSA-N 470.372 0.899 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCn1cc(Br)ccc1=O 1298602866 RMTDKVCHYJKVOA-LBPRGKRZSA-N 453.318 0.966 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@@H](C)C1 1301045272 RUSHJPVWWQBKAV-HOTGVXAUSA-N 463.004 0.520 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)CC2=O)cc1 1318069411 QGDASYNBJUGZTP-LJQANCHMSA-N 451.527 0.874 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(S(=O)(=O)N2CCCC2)CC1 1448439193 LOQAONXSZGPZOE-UHFFFAOYSA-N 454.574 0.532 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)n1 1492746417 RYEATFKWUDBJJC-GOSISDBHSA-N 451.528 0.521 30 20 JCED Cc1nc(S(=O)(=O)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)CC2)cn1C 1542949688 NKHFDDVMKDOYSX-UHFFFAOYSA-N 497.585 0.458 30 20 JCED CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNS(=O)(=O)CC 1613315041 OQFDWAJIMFONMP-OAHLLOKOSA-N 463.612 0.971 30 20 JCED CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1618994373 HBDPHTOOCBVQPA-QRVBRYPASA-N 481.623 0.459 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1695946764 MIFIGBWSZRALBP-GOSISDBHSA-N 460.560 0.876 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1698311269 PHAGDRTXEMSNTQ-UHFFFAOYSA-N 473.559 0.147 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)C1 1722765575 QJSXFLLTMMBBHL-NNMXDRDESA-N 493.634 1.000 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1729372833 JSBCQQDXFXJNBF-UHFFFAOYSA-N 473.559 0.147 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCOC1 1741674470 DIMHVMGXMVYYQZ-QFIPXVFZSA-N 457.510 0.905 30 20 JCED C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCOCC1 1741835096 UUWMEYSVGZHTFL-KRWDZBQOSA-N 459.576 0.619 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1750060729 JFFSTGSCJKOXBZ-RDBSUJKOSA-N 467.518 0.747 30 20 JCED CC[C@@H]1CCCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1763330451 PXZYXLAKKNFPLG-QYZOEREBSA-N 481.623 0.604 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cn[nH]c2)CC1 1770347377 BGMYJQCXMKUJNM-UHFFFAOYSA-N 456.532 0.776 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3nnc(Br)n3c2)C1 1777712767 HAHUAZMJNLKQDL-JLTOFOAXSA-N 490.314 0.707 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)c(C#N)c1 1777830786 JCXXUWCOIAGSLP-QHCPKHFHSA-N 461.482 0.691 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1778086351 FOVXBFOKXVKUPU-SAHWJRBASA-N 462.547 0.738 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)ccc1Br 1779094243 ALMMNYASNKZQEP-CTNGQTDRSA-N 493.358 0.415 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779103177 NYZSTJORELLZSR-CELOQEIPSA-N 475.546 0.646 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)NC(=O)OC(C)(C)C 1780338282 RQXWCGVZWWPRID-UZUQRXQVSA-N 489.529 0.786 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780934008 MWLGMAZTCQHUMA-XMHVBLFMSA-N 474.587 0.193 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1781161442 KJQMNVZLTNEJAS-MHECFPHRSA-N 492.573 0.965 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)ccn2C)CCO3)c(C#N)c1 1781173295 AUGBUQJHROGTMQ-XMMPIXPASA-N 450.495 0.952 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781298748 SIWHPOWQWUOCTA-YADARESESA-N 490.532 0.955 30 20 JCED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782009741 WYRMCFSQMNDOOD-UZUQRXQVSA-N 461.515 0.765 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C1)C2 1782015705 ZDNPKOWFYBVONO-NVTAWBTOSA-N 486.525 0.224 30 20 JCED CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782017273 GGRCAOAYAULFKJ-UZUQRXQVSA-N 463.531 0.845 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cnncc5C(=O)O)CCO4)C3)c2c1 1782196691 CSTUDLLDQKQBAH-JOCHJYFZSA-N 461.438 0.680 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782198413 RCZGAAFIFOUZCS-HYBUGGRVSA-N 490.524 0.349 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)NC4)[C@H]3C2)c(C#N)c1 1783630549 MPJPTYLYMJPZRZ-SEONNTABSA-N 454.527 0.615 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)CCO2 1783903752 DCXRVYMJQOJCIP-KOSHJBKYSA-N 492.621 0.776 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1)c1ccc(O)cc1 1784017834 UJGBBKJAJMIYGW-VUMVONDWSA-N 468.510 0.317 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(OC)OC)CCO2)C1 1785592941 MSJXBMZURSGEQR-KBJGYGKASA-N 453.536 0.905 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccn3C)[C@H]2C1 1786167920 WYRJQKNCAMDMNJ-FJIDUMEYSA-N 459.547 0.930 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1786859227 YQUMSOPOKQTDKC-WBAXXEDZSA-N 467.526 0.697 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)cc1 1786973696 MYVVHCCKTRBFCT-BJLQDIEVSA-N 475.509 0.515 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4nc(N)n[nH]4)[C@H]3C2)c1 1788503790 DQZCDCNYIINXCS-FHWLQOOXSA-N 451.531 0.804 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1788576418 SLWGPNYNASRPCD-WAMQXFNRSA-N 495.617 0.911 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788659296 XQSJTVXERLIQTR-OAOVRZJLSA-N 460.535 0.786 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789200254 ZHWIQCYNWQTKFP-UOVPBQLFSA-N 455.515 0.256 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(C#N)c[nH]5)[C@H]4C3)cc2C1 1789346068 ACFBFVUJNBSEGP-MDKPJZGXSA-N 451.531 0.825 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1792223957 PESXOASPICEAPM-LUKYLMHMSA-N 480.562 0.972 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1793088079 DYMOJVYMIZUOEV-IZZQQSIFSA-N 482.578 0.684 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C2 1793340439 WTQQYPXCDHRHKD-QTMHVTGLSA-N 465.547 0.250 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)C3)c(O)n1 1794489830 JHSMILLFDWBHDS-LQZABQIISA-N 487.582 0.911 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O 1797310389 ZPMRDBDNAMKBPY-VCRDIIESSA-N 471.620 0.902 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OCCCO)cc1 1798542015 NXVPEMUYGJLNKF-YTRCMYEKSA-N 457.527 0.509 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800390080 UQWQHXWDWSUKDE-CWQOZTLDSA-N 485.603 0.623 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3c1CCN(C(=O)OC(C)(C)C)CC3)C2 1800452550 NKJVVLLEVBVPDS-HGKCTWBKSA-N 457.531 0.513 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOc1ccc(Br)cc1)C2 1800774702 OLPROGGPPFHKBC-VTEUUUEMSA-N 465.300 0.896 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1801000455 SINHGOHRGXNLLW-KYHPRHEASA-N 473.592 0.480 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CSc3nc[nH]n3)c2c1 1801300792 QVJBDWRAJANVDL-FVCICTRLSA-N 452.500 0.548 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cncn1 1801363473 LEESCBVZALXEOR-UYTYNIKBSA-N 460.535 0.345 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2)NC(=O)OC(C)(C)C 1801931095 DRVOUPLFWWGFTK-QRXRQMIZSA-N 482.578 0.498 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCOCCOCc1ccccc1 1802103902 YYAVHHDHQYFOBD-WKCHPHFGSA-N 458.511 0.963 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCSC(=N)N)C2 1802128072 XSFWWPNJOGKVCK-IVSAIRAKSA-N 467.592 0.509 30 20 JCED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1804173159 MPSVZLYPNSZWAF-KDOFPFPSSA-N 454.516 0.446 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1808845816 OZICAXPSWVDUTR-OGWOLHLISA-N 466.502 0.933 30 20 JCED NC(=O)c1nccnc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819778168 MGTMNLLQWVYOKJ-ZFILKEQLSA-N 456.532 0.730 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)ccc1F 1819890491 LPRVNDGLSJIQJC-VFNWGFHPSA-N 473.530 0.959 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1819900614 NEZUDOWJCRQNHA-YRVQYUNWSA-N 475.527 0.899 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)CCOC1 1822976877 NEUWNJSJAYDKFE-LAJNKCICSA-N 478.527 0.827 30 20 JCED Cn1cnc(C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCN3C(=O)OCc3ccccc3)C2)n1 1828804194 GRWDSADMPXBKGU-QFIPXVFZSA-N 451.487 0.794 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807890 XFZNDDIUGJXOMU-XXBNENTESA-N 487.513 0.417 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCOCC1)CCN2C(=O)OCc1ccccc1 1828880914 SUJSYDIKWFAZML-VWLOTQADSA-N 483.521 0.953 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829043894 FASIOUAPXJLXLJ-WWEVIYMKSA-N 473.574 0.316 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnnc1O)CCN2C(=O)OCc1ccccc1 1829169356 BSBXNGQHDYIOEN-XMMPIXPASA-N 493.476 0.336 30 20 JCED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630867 CVIOLOVRZICGRT-DEOSSOPVSA-N 456.543 0.719 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Cl)ccc4c3OCO4)C2)C1 1829766127 NBXMXBXVHHFULO-UZQCKINESA-N 491.928 0.997 30 20 JCED O=C1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CN1 1830464606 OPKOCHRRATUKLQ-FDDCHVKYSA-N 459.930 0.674 30 20 JCED CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830698551 GOYRSVCPLWLNLB-KOSHJBKYSA-N 495.573 0.860 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(=O)OC)c3ccccc3)C2)C1 1831388351 RDHDVDZGBTUUAL-NRYAXDJKSA-N 473.526 0.578 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1831398417 AVYJAUTYLVROBS-AOMKIAJQSA-N 482.530 0.338 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1832454636 VFTBMTBBVFVNNQ-FQEVSTJZSA-N 469.585 0.474 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)CCO2 1832540803 IKCPSVXTWPZREF-AREMUKBSSA-N 479.533 0.933 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1832728545 MQFTVFUHINSNHP-XMMPIXPASA-N 463.494 0.453 30 20 JCED CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)no1 1832789060 OFDZVDHRRMVVDC-NYNQOQISSA-N 459.503 0.904 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1833400495 XDEXEOWYDJPJSF-SGCYSOCQSA-N 493.586 0.027 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833614601 RUKHLHQQEKIATD-UHFFFAOYSA-N 474.558 0.383 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(OC)cc1F)CCO2 1833628667 YLBFJLZMPSGJOX-QATSOJGNSA-N 462.478 0.158 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CN3CCCCC3=O)CC2)CC1 1834717145 PCGLZFJYCKFTDV-UHFFFAOYSA-N 460.623 0.852 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834769057 YEIYAJRGSJMJNE-NANGKKJLSA-N 478.546 0.115 30 20 JCED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c(=O)[nH]c1C 1835097032 PRJINJNJSYOSCC-DEOSSOPVSA-N 450.495 0.508 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835103058 UFGNIPWZAHSKJC-RXFWQSSRSA-N 476.533 0.708 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C1)C2 1835362878 WEBUKZOAPPCKHT-GAJHUEQPSA-N 473.530 0.382 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1)N1CCN(C)CC1 1835753225 FBDGWKXQWVIVCF-JOCHJYFZSA-N 487.689 0.893 30 20 JCED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)N4CCOCC4)CC3)CC2)ccc1F 1835765963 DUTFNKABPNJTBH-RUZDIDTESA-N 487.576 0.462 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2csc(N)n2)CCO3)c(C#N)c1 1835797508 SPOQRSZBWRNZFW-JOCHJYFZSA-N 471.539 0.918 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)n[nH]4)CCO3)C2)c(O)n1 1835851673 JMEOHPRFKCHBBT-JOCHJYFZSA-N 457.487 0.718 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1836216113 XGGWMJOPIJAZAY-XFAGBWLFSA-N 492.573 0.507 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn(C)c(CC)c3Br)CCO2)C1 1836276286 JKOAPWWAEGCRTA-VFNWGFHPSA-N 497.390 0.853 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 1836337668 DSEIWSRFTWVQOH-UHFFFAOYSA-N 471.583 0.046 30 20 JCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1)N1CCN(C)CC1 1836372242 NVTALHLJYBXOPS-HXUWFJFHSA-N 475.682 0.476 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(C)cc(C(N)=O)cc1C)CCO2 1837432751 MZNGLMZVONRFIF-UOUGDEPUSA-N 484.553 0.331 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531049 BESPSKUWWSKEBZ-UWNFHLEISA-N 498.577 0.885 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837533474 VZGZQDLEMDXHBH-KDYRRFBVSA-N 477.562 0.875 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839130771 TVTKZPHALJFAKJ-DFIYOIEZSA-N 490.601 0.668 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C(N)=O)cc4)C3)C2)c(C#N)c1 1839133583 XNDCIKCFGQMNGX-AREMUKBSSA-N 492.532 0.978 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1839175081 OOCSTPCVGGCQRR-QFIPXVFZSA-N 457.487 0.309 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1839175205 UQLLCSHCNYXYIY-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839203984 CRFHZRZPAVDFBQ-VGSWGCGISA-N 453.536 0.132 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421721 HODCATCCUYJGSI-GKVSMKOHSA-N 495.511 0.981 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)NC(=O)c4cnccn4)C3)C2)c1 1839452609 MJGKQVMDTMUDHB-AVRWGWEMSA-N 492.536 0.545 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1ccnn1 1839712662 ITLXWFNUSZXORL-VGOFRKELSA-N 454.487 0.246 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)C1 1839839596 GZFZHDKOGBVFSI-CLOONOSVSA-N 485.585 0.690 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(C)=O)CCO2)C1 1839882090 UDUKNIMAOPIIFO-SLXODSOVSA-N 494.589 0.437 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1840029708 NCCVACZBKTZFAN-VYXDICFBSA-N 453.536 0.293 30 20 JCED Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042110 BGBCZXSEKBBRMU-QHCPKHFHSA-N 486.912 0.899 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2)C1 1840171793 ZRXQMJOUFZOSAF-TVTNDZMWSA-N 455.552 0.947 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c(O)n1 1840356457 RAAKOKJJSGLBPO-QHCPKHFHSA-N 470.530 0.658 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840843483 RSWUFBCGTINKOZ-PKTZIBPZSA-N 465.547 0.540 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(C)=O)C2 1844215611 ZXORWGOXPBIKPL-DOTOQJQBSA-N 495.577 0.520 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844297134 USZULYNSQOUDOV-ICSRJNTNSA-N 478.590 0.537 30 20 JCED C=CCn1c(=S)[nH]c2cc(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)ccc2c1=O 10100126 RMGLSUXSLQGGRH-UHFFFAOYSA-N 471.539 0.388 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 25346489 ZQZZYUKWYKDQMJ-UHFFFAOYSA-N 476.580 0.853 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)cc1C 502061513 ASTARELHNCTZDI-MRXNPFEDSA-N 451.552 0.904 30 20 JCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c1=O 589161299 PXDXNXZIMXKDND-UHFFFAOYSA-N 451.545 0.635 30 20 JCED N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 609254420 NEQJDBRTUQDHFW-UHFFFAOYSA-N 481.531 0.561 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 609333607 UBDKHPQLQHFDPH-UHFFFAOYSA-N 478.530 0.272 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCC)C1=O 726043499 WXGHUQLYFUURLB-UHFFFAOYSA-N 491.526 0.717 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc(OC)c(F)c2)CC1 726584422 RVQJXOKBZTXBPE-UHFFFAOYSA-N 496.568 0.447 30 20 JCED C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NC1(C#N)CCCCC1 811680709 PDIGNKDCKKWWOE-HNNXBMFYSA-N 464.544 0.941 30 20 JCED CCCn1c(=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)sc(=Cc2cnn(C)c2)c1=O 837521757 XZHRFSYIYVNIIF-UHFFFAOYSA-N 496.505 0.874 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccco2)c1 918254744 MHTIYOCWEMAAHL-KHJVFXTQSA-N 462.528 0.998 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)CC2)o1 919132344 WVSVNUGUPCIPCK-QGZVFWFLSA-N 458.519 0.974 30 20 JCED CC(=O)N1CCC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)C1 1301688332 UZSODPHJHARMII-RTBURBONSA-N 493.634 1.000 30 20 JCED Cn1c(CCC(=O)NC2CCN(CC#N)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1318587102 ZZGOHVRVHMRLKD-UHFFFAOYSA-N 474.587 0.631 30 20 JCED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1505321610 UEGGBPPSQYSRTF-SFHVURJKSA-N 455.494 0.741 30 20 JCED CC[C@H](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)OC 1512765775 PLZALFBDEQNHMS-VVLHAWIVSA-N 456.569 0.401 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 1541943457 WTXVCPFQZILNOB-HLTMLNHKSA-N 469.637 0.366 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(C(=O)N(C)C)c1 1541946576 XWWUKASKZLIHTE-CRAIPNDOSA-N 475.575 0.562 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(S(=O)(=O)NC)CC1 1625230977 PTOYTYDJFBGUCA-INIZCTEOSA-N 456.590 0.824 30 20 JCED C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1706071205 QQWRVFYJCMTBGU-HNNXBMFYSA-N 478.604 0.900 30 20 JCED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1=O 1710263046 IDKYDNAMJCROEJ-UHFFFAOYSA-N 461.548 0.337 30 20 JCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722485124 QFCLJNKDUUJFGF-AWEZNQCLSA-N 468.356 0.712 30 20 JCED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)n(C)n1 1725839144 LKHWVGWJKJFUDI-QAPCUYQASA-N 452.516 0.143 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCCN2CCCO)cc1 1731184946 MJBKIOSZZKBQRV-LJQANCHMSA-N 453.547 0.902 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCNS(C)(=O)=O 1752282107 TXQABPKTHJXKQF-HNNXBMFYSA-N 461.596 0.793 30 20 JCED CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1764673890 ZGTDRJBOEULBCV-INIZCTEOSA-N 455.567 0.946 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778574446 WPEQDRQXCKJDMR-IYZQMXKPSA-N 454.483 0.319 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CC1 1778910681 ZENMGTPMFRYQLF-QODNIARESA-N 493.605 0.193 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780331280 QFYXMDSZZNKSTJ-KSFYIVLOSA-N 461.519 0.606 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1780339244 USWWQVYCOBVREX-JPYJTQIMSA-N 473.530 0.966 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cnnn2)C3)c(C#N)c1 1780686378 BINHYDFGLNSMSZ-DENIHFKCSA-N 453.503 0.310 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C3)c(C#N)c1 1780687810 KDOFQEJLIBLYQA-NTKDMRAZSA-N 486.525 0.166 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1781189574 ZYUGNJUOERIZCV-GGUMNFRJSA-N 495.573 0.701 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)c1 1781967277 UZCHZWONGSRKRI-JOCHJYFZSA-N 469.429 0.911 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1782032103 VUEPXCNAHSQTRY-XCGNWRKASA-N 466.535 0.870 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782061029 VNUUARFLPFLRNH-QPPBQGQZSA-N 464.526 0.781 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCN(c3cc(NC4CC4)ncn3)C1)CCO2 1783564871 BWTKFWWGLSZDFG-BXKMTCNYSA-N 482.541 0.185 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2)c1ccc(O)cc1 1784010296 UFVFOTZWWDPHNH-AFMDSPMNSA-N 491.548 0.973 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C[C@@H]21 1784481965 ZXDZWNGBMHIIJN-SPOLIRPYSA-N 477.558 0.931 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1785452555 PTGCYXVHYWABKQ-UDENOZGOSA-N 486.544 0.561 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)ccc1Br 1785630383 DTCKESTYYDRHFT-GOSISDBHSA-N 450.293 0.433 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN(CCO)CCO)C[C@@H]32)cc1C#N 1792058133 GKGDBALDACUOQK-RRPUWOKSSA-N 488.585 0.225 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)C2 1792490525 CFZWBQUENJPCHR-CHQRJUHXSA-N 462.547 0.492 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-])C2 1793346668 ZTAAJCNNHLGMIA-AMVTXUCVSA-N 459.455 0.623 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC13CN(C(=O)OC(C)(C)C)C3)C2 1793347380 CAHWJVQJRUEYGH-ZSXDVEMLSA-N 461.559 0.871 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1794389658 STBSLELQDKXGNG-DFGXFYAUSA-N 471.514 0.901 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)[C@@H]1SC(=N)NC1=O 1796424930 AJRBYYNQNSKRQN-JPGLSNARSA-N 481.538 0.440 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C(F)F)c1=O)C2 1797814860 BIUFTYKRNCFMAQ-JTZIPZKNSA-N 468.457 0.976 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1797838056 UAJKJJQZYNDMQL-APBAFYQPSA-N 497.293 0.930 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)C1 1797839939 HQGVFUQNAGMOMC-CHASIVTLSA-N 490.557 0.516 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1I 1798116136 YZNQSXLBRDDING-XCCSTKFXSA-N 488.326 0.791 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1800992266 CCMUINNMHIEFBB-TWHPPBISSA-N 463.575 0.997 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnccn1 1801411083 OCHQSQSUWISUBS-NZGUISNBSA-N 471.558 0.915 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1801992419 JXDYDZJWCYDEBX-CWPLJXCYSA-N 462.466 0.589 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)cn1)C2 1802126616 LELGPJYSCLKSSX-AJYBTWMASA-N 459.547 0.698 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2 1802139620 IPXJRAMSDKHFHG-XSORKIOLSA-N 473.530 0.855 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)[C@H]1c1cccnc1 1804569360 ULOSITURJJTYPH-WAWZGNHOSA-N 465.466 0.182 30 20 JCED O=C1CN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=N/O[C@@H]3CCCCO3)[nH]n2)C(=O)N1 1815668555 XDVGCFSKKIPZHV-ZSVOOBTHSA-N 461.479 0.483 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828495688 HJUQIUYYWGTPLV-CJFMBICVSA-N 498.536 0.441 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1ccnc1 1828563302 WOKFZRYTJHVFPJ-DFBJGRDBSA-N 493.520 0.984 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1828808078 IULAMJKKSKUTOQ-XMMPIXPASA-N 478.509 0.609 30 20 JCED CC[C@H](C)[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828976147 MPVFUFNWCCKWOT-KDSXSNECSA-N 484.553 0.900 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCOCC3)C2)C1 1829262334 MKNOADKNNKYYKO-DEOSSOPVSA-N 454.527 0.404 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1829460642 VTNBBVHVSWBLHQ-YADARESESA-N 468.510 0.960 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1829464823 MPCAOZQFUNITNH-JYFHCDHNSA-N 498.580 0.503 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)ccc3F)C2)C1 1829773306 GFBHOJDVCWOLEB-FUMRIQNTSA-N 461.490 0.763 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1830526300 UEZVUZJEJRJGJK-AXHZCLLHSA-N 481.590 0.911 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1831486731 FXINKHFJPRTUNI-GCKMJXCFSA-N 475.608 0.283 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832109579 PTJVUGGXIBILCP-VGOFRKELSA-N 477.587 0.671 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1)c1ccccc1 1832479166 BKKZZVQRGXQZAY-NBGIEHNGSA-N 482.537 0.192 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cn(C)nc3OC)CC2)CC1 1833073923 OPBBNCQMKQGBIG-WAYWQWQTSA-N 458.563 0.472 30 20 JCED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)n1 1833091580 IHVJEBMPJZDEJN-QHCPKHFHSA-N 455.490 0.901 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn(-c3cccc(F)c3)n1)CCO2 1833351943 RHVVBXJQZNYVJQ-OGCGYOKDSA-N 499.547 0.948 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)cc1 1834563986 POMYJBVDYKPURW-DEOSSOPVSA-N 478.509 0.076 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834599087 PFASZVZTMFHRSS-HOYKHHGWSA-N 489.525 0.626 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1)c1ccc(O)cc1 1835517099 ROOMFWDICIYWCO-JPYJTQIMSA-N 474.583 0.972 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=N)N)CCO3)C2)cc(C(F)(F)F)c1 1835575468 NQRGFNMDHJBOTO-LJQANCHMSA-N 468.436 0.130 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1835677317 NEMFZQBHRJBFHG-XMMPIXPASA-N 484.557 0.407 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1cccnc1)CCO2 1835691691 PKCTVSAKGBWPQM-WZONZLPQSA-N 460.531 0.848 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836048187 IEEKPGOJCXRYSK-UHFFFAOYSA-N 470.578 0.043 30 20 JCED COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320649 IBZCVPSNJDUVOW-LJQANCHMSA-N 472.420 0.661 30 20 JCED CS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836321704 CGXDLDVBSFOCSK-GOSISDBHSA-N 490.460 0.087 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837150371 PNEVHLOCOSVXHE-YADARESESA-N 457.527 0.573 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837443804 KBDLGQZFVQLQHF-SGCYSOCQSA-N 455.519 0.271 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1 1837446845 IHCBOHKLUAIUPJ-HLHNIQGOSA-N 486.569 0.944 30 20 JCED N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccccn1 1837489863 WYQHMYMUHXHILZ-QPPBQGQZSA-N 456.543 0.236 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)N2CCOCC2)CCO3)c1 1837522505 IBGPQKSGKNEOCI-IHLLOCCUSA-N 472.542 0.034 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837677771 DJDYVIMTEQUWME-BVZFJXPGSA-N 486.569 0.871 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(OC4CCOCC4)n3)CCO2)C1 1838353145 DSBGFRXGQBDCKO-DFBJGRDBSA-N 487.553 0.748 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C3)C2)c1 1838579151 CWAZAALXTIRSNT-ZHRRBRCNSA-N 479.555 0.318 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838766012 POOBAFRKIOICAK-ZICLHRSZSA-N 473.456 0.365 30 20 JCED CC[C@@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131334 WXLIMETTYQJZCY-HOYKHHGWSA-N 494.589 0.755 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1839175118 PWYJGMVRVXWHHC-JOCHJYFZSA-N 490.538 0.335 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1839185080 MFFIOVTVLDVIKT-HOOSLVGPSA-N 494.589 0.581 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)ccc1F 1839188041 IKJPKBZZQJQNFR-HSZRJFAPSA-N 485.472 0.271 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839414626 RZTFZVKTRJZJBC-JOCHJYFZSA-N 477.470 0.880 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)N1CCN(C)CC1 1839421363 MBQYYFLDFXFOMB-HOYKHHGWSA-N 473.549 0.403 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-c3ccc(O)nn3)cc1)CCO2 1839470552 UWYYRRCOOJALGH-QHCPKHFHSA-N 466.450 0.007 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(=O)cco5)C4)C3)c2c1 1839488012 RCPZJEZPBCDGNO-HSZRJFAPSA-N 463.450 0.772 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnn6c5OCCC6)C4)C3)c2c1 1839489305 XLAPRQBCFLAFDJ-DEOSSOPVSA-N 491.508 0.797 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cccc(F)c34)CCO2)C1 1839619031 OVLZUCFPIPZROK-QHCPKHFHSA-N 472.521 0.825 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)ccc1F 1839783518 HGPWWZAVJWARMI-DENIHFKCSA-N 479.530 0.273 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)COc3ccc4scnc4c3)C2)C1 1839810361 SQGDWYBDQUCMOG-HSZRJFAPSA-N 486.550 0.271 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840042843 QIHUZKQKWMVXSW-DHIUTWEWSA-N 479.530 0.178 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840059838 RNNOKOGNADPCID-JLHGSKIFSA-N 466.535 0.117 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1)c1ccc(O)cc1 1840221000 OSZAKCCFQJCYBM-WWEVIYMKSA-N 457.527 0.480 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1840294836 OCCVQPWVQXYEIL-DEOSSOPVSA-N 457.575 0.982 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)CCO2 1840798587 WNMSPUJAZHGIJY-BSRJHKFKSA-N 499.630 0.737 30 20 JCED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818553 JCIPSCUMVGCFHA-HSZRJFAPSA-N 458.515 0.262 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840844932 UKCWVOFMPJFCCD-PKTZIBPZSA-N 465.547 0.228 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840883841 NSNYPSQUAYPSFH-QFIPXVFZSA-N 452.552 0.314 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840897205 QOXLOSDMNMXUFK-QGZVFWFLSA-N 463.528 0.515 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1844239871 FBBMKXSHPAJUOM-KRWDZBQOSA-N 478.590 0.842 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 116307411 BILZZJZYUOGPJK-UHFFFAOYSA-N 452.464 0.026 30 20 JCED Cn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccccc2S(=O)(=O)N2CCOCC2)c1=O 500530563 AHFQGJQJGPPZNN-UHFFFAOYSA-N 495.582 0.854 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(OCCOC)cc2)c1=O 501243600 IDMPRZFNFPKNEU-UHFFFAOYSA-N 482.606 0.788 30 20 JCED C=CCN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 504060767 PFDNLXDVFKJPKY-SNVBAGLBSA-N 457.393 0.991 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCN(c4ncccn4)CC3)CC2)cc1 604102745 QIUBCDZWKLOGGB-UHFFFAOYSA-N 483.598 0.687 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(=O)N(C)C 604270095 DZBZDFFSHYDKFM-UHFFFAOYSA-N 480.550 0.272 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828297 NLLXBSWICXUYHE-CYBMUJFWSA-N 468.560 0.714 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(CC(=O)N(C)C)CC3)nnc12 613251920 KOFUDHAKULBNQD-UHFFFAOYSA-N 469.571 0.555 30 20 JCED CC(C)NC(=O)CN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 726282857 UEKKOEQICRONKT-UHFFFAOYSA-N 463.604 0.954 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CCCN(C(=O)OC)C2)C1=O 726404543 ZHPLSAZOJGFTCC-GDJRBPOVSA-N 497.599 0.501 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cccc(Br)c2)c1=O 727163157 NANPYDZJWWJJGA-UHFFFAOYSA-N 453.343 0.248 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCS(C)(=O)=O 729672711 DDDHNRSGMKWCSD-UHFFFAOYSA-N 477.608 0.343 30 20 JCED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 914651972 JGERVJIRKVIPHC-WFMQRQJPSA-N 453.561 0.885 30 20 JCED CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1136809578 WJXYDRZDJDXHGB-UHFFFAOYSA-N 451.427 0.026 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@H]1C(=O)N1CCSCC1 1142570000 YNWFPWQUOLFTPS-CJNGLKHVSA-N 454.599 0.702 30 20 JCED CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1313854326 JVBUDWVOVZSADF-UHFFFAOYSA-N 455.548 0.948 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1314630589 ZEECMHKOMHUQNY-OALUTQOASA-N 477.635 0.863 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1510218023 MFOUHAMPLIHVES-DOTOQJQBSA-N 496.638 0.932 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3CC(=O)NCC(F)F)CC2)c1C#N 1612469910 IGTPFXNPJUEXQZ-AWEZNQCLSA-N 463.493 0.404 30 20 JCED COCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1698027439 PRIKXHBPGQIVCQ-UHFFFAOYSA-N 455.567 0.588 30 20 JCED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)c(=O)n1C 1707500116 MDGXLFJJGCCYSY-GOSISDBHSA-N 475.575 0.406 30 20 JCED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CC1=O 1712469256 NCEKXXIDESGKPZ-SFHVURJKSA-N 481.557 0.782 30 20 JCED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1726451828 WYFNTJFOUGTLPU-INIZCTEOSA-N 473.559 0.431 30 20 JCED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1726451830 WYFNTJFOUGTLPU-MRXNPFEDSA-N 473.559 0.431 30 20 JCED COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1=O 1730778984 LSQXKTZBAPAYCO-IEBWSBKVSA-N 481.557 0.891 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 1731191100 YYMQDYLSBYXTCX-QLFBSQMISA-N 462.498 0.793 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749251732 INYYNGXDBZVTLB-GJZGRUSLSA-N 462.020 0.678 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1769897024 VLLVTXUPFNVALS-UHFFFAOYSA-N 466.590 0.749 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1778117860 XDAGEOAJGDSCJO-YVPFWOTMSA-N 486.591 0.017 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(NC(=O)OCc4ccccc4)CC3)C2)C1 1778281962 HFKAUZDCXHDQOH-QFIPXVFZSA-N 455.467 0.363 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778851676 XOIKJXXAESZSKL-OYHNWAKOSA-N 475.550 0.066 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc4n(n3)CCCNC4=O)C2)c1 1778919055 PAXPIHAUKNOQIY-AUSIDOKSSA-N 465.514 0.658 30 20 JCED O=C(/C=C/C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)NCc1ccco1 1779208926 TXFNOSQVFKEMBY-BBQUQSJCSA-N 474.514 0.811 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1779338017 HRKROVSTGBMWSV-PWSZPPJVSA-N 450.624 0.709 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781373207 ZQFXUBDTPBQOLK-HKARXFIJSA-N 462.547 0.354 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1781400791 XBSMVNXIANSIOR-FXKZBUDASA-N 482.578 0.988 30 20 JCED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2)C(F)(F)F 1781804846 XQXKBYIGXWNBBK-FZKQIMNGSA-N 454.409 0.664 30 20 JCED CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010799 FOKQUDWCIISTLN-IVZQSRNASA-N 451.520 0.892 30 20 JCED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1782185305 OAZTYJPGDPCYSC-SEPYTNNBSA-N 498.646 0.898 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195087 MXELRBPRSSHCOP-IZHWHUGBSA-N 488.508 0.487 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1782847673 ALGFPRMYRXFZJJ-NODZLZLFSA-N 499.568 0.311 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@H]2C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783452905 RRVNILYYDONSBR-XDHUDOTRSA-N 491.541 0.178 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1783772102 ZVVPVCMVOWEZQC-VFNWGFHPSA-N 454.524 0.642 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)cc(C(F)(F)F)c1 1784115970 GLQFKMVKKCLZOY-OAQYLSRUSA-N 476.411 0.946 30 20 JCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1784538826 FQSXQNMJDMYXFS-ILXVDBEPSA-N 452.533 0.691 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1785571802 DKRISFGZPRDWQV-SBUREZEXSA-N 475.546 0.789 30 20 JCED CN(C)C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1786743401 GMFRIWXBYPFVJB-BZSNNMDCSA-N 491.589 0.595 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787500527 LLKKXOYLRFNZKR-WNZSCWOMSA-N 466.560 0.278 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788255237 KBCQYLZCGVVONY-DRMAHVMPSA-N 460.535 0.411 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 1788571388 JFSRCLOUFMXBDQ-OYSPMZIOSA-N 465.572 0.652 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccn4n3)C[C@@H]21 1788658857 ZNWJJZMWEKHDOL-KUPABWCHSA-N 456.503 0.852 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789346410 RUEYBDJYYAGLCG-VERUCKTNSA-N 450.499 0.693 30 20 JCED CC(=O)N[C@@](C)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)c1ccccc1F 1789966958 DMJMQLSYBYWTTB-QQVQHEQESA-N 459.474 0.245 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1 1789968406 KOLVPOCDKOMKRO-FJIDUMEYSA-N 462.551 0.727 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC(C)(C)C)[C@H]2C1 1790987729 ZDZPFTQEWDMXCG-RIGXYXMPSA-N 450.536 0.349 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1792454061 ZXXYQVYHERNOHK-HAEOWDPNSA-N 457.593 0.512 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(c2cc(OC)ncn2)CC1 1793132332 FRFGYDWNWODCRE-NSAZKJPHSA-N 471.558 0.330 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)C2 1793340629 MNNDBZQDNHSJLA-LUDNOHBGSA-N 475.929 0.693 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794113328 PPAHWPTWJXCTFX-WTEFKJMHSA-N 460.531 0.155 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC 1795110548 OLPHVTOGDHIUBV-DFGXFYAUSA-N 468.551 0.792 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795597343 FZYVBTKTBXPAEW-RDGPPVDQSA-N 493.605 0.494 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796076451 AHFYRCNFFSWAAF-NBMJBFSESA-N 465.572 0.403 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)ccc1F 1796441489 RDYXGBBPTJRGDB-OPMZPASUSA-N 478.546 0.255 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(S(C)(=O)=O)CC1)C(F)(F)F 1797140754 IGTQRPODMQHUSL-QDMKHBRRSA-N 453.483 0.366 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797278348 FLBUTDYVIKEAGM-KYFSNAEOSA-N 463.531 0.844 30 20 JCED Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/O[C@@H]3CCCCO3)cnn2c1 1797811637 DIFWGIMKSJKXMW-CVNDOJEUSA-N 456.503 0.770 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cn1 1797811793 WLSSNDXULBWEHZ-MSHIPTOESA-N 494.570 0.358 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1798410944 ABBHZIKOAFKZQL-FAQVEIGNSA-N 495.561 0.281 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(I)ccnc1OC)C2 1800453757 LWDGZMOLJKSGOM-QHBPRCKVSA-N 455.252 0.531 30 20 JCED C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C)C2 1800755680 KZKIJOMGFJVBNN-CMWLGVBASA-N 486.569 0.964 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C 1801244901 UNALGNIVTJTRAN-QZLJAVCYSA-N 467.592 0.753 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801438105 TYGWVVKREQUJHB-ZSXDVEMLSA-N 489.577 0.521 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1802020745 AGVPRWZAYBGFNW-DMUMMCEESA-N 492.621 0.536 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1802482749 OJACZKNXPSXLMP-YRBHQURASA-N 482.585 0.110 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@@H]1c1cccnc1 1802498231 NSNFPCIWFJYFFW-OGAQULOVSA-N 493.568 0.416 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802773073 JZYDJPFQEXEQSB-ORQFMDKSSA-N 459.503 0.572 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)ccc1F 1804094580 QNJWXRUTMSDAFV-HXOBKFHXSA-N 478.484 0.893 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807142191 CXVWMKIALHVUPB-BHIYHBOVSA-N 478.619 0.697 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)ccc1F 1808560639 KUDOAYPHBHAVLR-KPDCDPCYSA-N 466.517 0.934 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809667578 WQQMYIMRIXYCGT-UHFFFAOYSA-N 464.459 0.893 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1812349350 JOWCFHKTEYRDGO-ZMZFTTOYSA-N 466.498 0.520 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)CC)[nH]n1 1814433832 ICYHMYLHIASGMA-SYMMMWLZSA-N 466.564 0.588 30 20 JCED C[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1815799347 FATLCORFRVMVAE-YPMHNXCESA-N 474.547 0.167 30 20 JCED O=C(C#CC1CC1)N[C@@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824807863 GNBSOSMWVWCTBI-VNQPRFMTSA-N 487.607 0.649 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cnccn1)CCN2C(=O)OCc1ccccc1 1828560377 XCRKEVSJOVUPOI-RUZDIDTESA-N 491.504 0.559 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1829260506 RATKKARAQXACCS-MBSDFSHPSA-N 490.582 0.400 30 20 JCED CC(C)OCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330978 VYVYUDGLMJWCJZ-DEOSSOPVSA-N 471.510 0.952 30 20 JCED CO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334924 QDGNEHZBBLZOMZ-SBUREZEXSA-N 457.483 0.561 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1829335099 UYKNOMHVKLHDIH-DFBJGRDBSA-N 496.520 0.053 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1829783517 OCFSNPYHULDKAJ-AUSIDOKSSA-N 468.547 0.930 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)CC1 1830062748 AITHRXQACFLNGM-QFIPXVFZSA-N 450.536 0.861 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1831392934 RCYJSWLNROOLNR-VFNWGFHPSA-N 462.459 0.107 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1831426338 KMFYLYPKVUDYSM-WZONZLPQSA-N 462.547 0.334 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)COCCOCCOCCOC)CC2)CC1 1833468779 FUIFAILSEUNFJV-OAQYLSRUSA-N 497.633 0.293 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)NC(C)=O)C3)C2)c(O)n1 1833700377 VSFROLIEUOPNTM-HJPURHCSSA-N 460.531 0.500 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)c(C(F)(F)F)n1 1834384236 QIRDZCJMDVGDJE-FQEVSTJZSA-N 478.431 0.939 30 20 JCED CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)CC1 1834624973 UNKZHMCOFPDIAU-NXQYYGPPSA-N 492.665 0.725 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2)NC(=O)OC(C)(C)C 1835536062 KHWDPBXBILJFFY-IUKKYPGJSA-N 468.595 0.897 30 20 JCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677724 VRTDHSBPZWMRIH-QHCPKHFHSA-N 469.546 0.390 30 20 JCED CN1N=C(C(=O)N2CCC(N3CCC(NC(=O)C/N=C/c4ccco4)CC3)CC2)CCC1=O 1835779526 ZVSAXKAXMBEUJR-BUVRLJJBSA-N 456.547 0.878 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)c1 1836130282 MCEXQXYDPBKMIE-DEOSSOPVSA-N 466.494 0.960 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(Cl)cccn13)CCO2 1836370167 IAHYVOSWQDLJQR-IYZQMXKPSA-N 487.944 0.916 30 20 JCED O=C1NCCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#Cc5ccccc5)C4)C3)cc21 1836779634 PNJHVCPCJKJYSZ-RUZDIDTESA-N 477.521 0.138 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)N2C[C@H]4C[C@@H]4C2)CCO3)c1 1837286344 HIXJVDOEIFKYGP-XXNSQIBZSA-N 468.554 0.977 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1837443482 BZFQCVLETJDDBB-XTVKVDEJSA-N 454.531 0.876 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837467229 ZMSPTQVWBYEXBM-QFIPXVFZSA-N 477.562 0.180 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837487060 VYPZWEAHBQURPT-XMMPIXPASA-N 464.559 0.873 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)n1ccccc1=O 1837531107 CZHJSBZDIKGQQA-QUJVFKRRSA-N 476.530 0.395 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838567868 UBHMLDXLKBXBDS-MHECFPHRSA-N 476.526 0.497 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838582361 LMIOTRXXINNOOB-HJPURHCSSA-N 473.530 0.344 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(c4)NC(=O)CO5)C3)C2)c1 1838737496 VUCYXTHHDNUJTB-HSZRJFAPSA-N 465.466 0.601 30 20 JCED O=C(c1nn[nH]c1C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1838762336 FTDIJVKZRJVIQV-CYBMUJFWSA-N 463.310 0.794 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)c1 1839044498 KBLXAGOEMYNVJX-DEOSSOPVSA-N 495.561 0.533 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1839173774 LIWJXBJGXAGKJU-JOCHJYFZSA-N 457.487 0.309 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1839176288 GSLDRFYQGWZVAW-BWKNWUBXSA-N 484.553 0.718 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210494 RCWRKGZHOGXIOA-YADARESESA-N 481.590 0.912 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1839871440 IHRUZDJPGCCFPQ-RNHFSVANSA-N 469.538 0.482 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNCP(=O)(O)O)C3)C2)c1 1840713309 KBQJQTZMHLLKJF-IIBYNOLFSA-N 480.458 0.108 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840798328 LKFWOQYAZVSKMO-HOOSLVGPSA-N 493.557 0.614 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820903 PNSFATIIJVOMHV-GBXCKJPGSA-N 472.542 0.698 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1840820925 QQDCPEMOANMFNF-DEOSSOPVSA-N 466.494 0.737 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1840840772 MUQDWQIBBUUTCK-VWLOTQADSA-N 467.522 0.471 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)C2)C1 1840844447 WXWKBLNECVIEQO-HSZRJFAPSA-N 462.568 0.893 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(C)C)C2)C1 1840906690 HFMSCBZDUJJHOO-FDDCHVKYSA-N 467.563 0.784 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841237364 RRKZDGFMBNGADJ-QGZVFWFLSA-N 458.515 0.508 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CC(N)=O)C1 1841656950 CWLYDVMCAHHWRD-JKSUJKDBSA-N 495.577 0.507 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCN(C)C)C1 1842823482 GMXCBJUCSGVOII-KRWDZBQOSA-N 481.594 0.947 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(C)=O)CC2)C1 1843972818 ATWSNCHVHYCCID-LJQANCHMSA-N 477.606 0.823 30 20 JCED N#Cc1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 14868552 FLZDNKPKMXXFEO-OAHLLOKOSA-N 455.539 0.824 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 17111587 NHGQFRSHTLRUHH-UHFFFAOYSA-N 477.568 0.464 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1=O 29494887 OPEAUWTWXDZMQC-UHFFFAOYSA-N 459.415 0.252 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCCO2 497552029 UXBOVVCDKDEEMA-UHFFFAOYSA-N 482.543 0.489 30 20 JCED C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 497654788 BWBQBRSRQOSYMH-OALUTQOASA-N 475.615 0.827 30 20 JCED CCN1CCN(CCCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 502861566 LOGOTWOUAYGCAZ-UHFFFAOYSA-N 462.620 0.992 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 522537481 KBKLOLZSUAMIGT-UHFFFAOYSA-N 496.495 0.638 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1CCc1ccccn1 523181223 CCUPTGLGMRJNPN-UHFFFAOYSA-N 479.562 0.092 30 20 JCED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1 524281286 PEENPFIIAGVJGZ-UHFFFAOYSA-N 488.635 0.638 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCCSC 603997373 HBBCRWXGHHBRKM-UHFFFAOYSA-N 461.565 0.657 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 642375374 YUPYCFVGHNQUMA-UHFFFAOYSA-N 464.569 0.761 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cscn3)c2=O)c1 726582344 GFFAEMTUEANAQP-UHFFFAOYSA-N 491.598 0.288 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC2)C[C@@H](C)O1 726584915 LDGBIPPLIXHFKP-HDICACEKSA-N 490.586 0.252 30 20 JCED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CCO1 728757997 SZBJOQPKYINQKS-XBYUIDQRSA-N 480.543 0.619 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 729257651 LVBLKZDZRFTJPV-UHFFFAOYSA-N 488.614 0.040 30 20 JCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 748114620 WSIUZFNBIWHVIR-UHFFFAOYSA-N 473.511 0.771 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc(C(=O)OC)cc3)C[C@H]2C)c1=O 749889625 HBWFLQYCXDDDAR-QGZVFWFLSA-N 455.515 0.499 30 20 JCED C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)ccc2c1=O 750656888 ODBHJVCQZWPZGS-IAGOWNOFSA-N 464.569 0.099 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC(F)F)cc1 839310820 XDYVFHIMTZIOFC-ZDUSSCGKSA-N 489.504 0.888 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 856695114 ZICSGZYDYADIBJ-RDJZCZTQSA-N 485.584 0.850 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 913242607 IIVQDZSRGGAWMH-GDBMZVCRSA-N 451.501 0.570 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(N2CCCS2(=O)=O)ccc1O 918093287 RAQQENLLDIXMHW-UHFFFAOYSA-N 450.498 0.609 30 20 JCED CC1(C)NC(=O)N(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 918795898 MGTHGEXXFJUZEC-UHFFFAOYSA-N 470.442 0.328 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1139102126 IGWGTHTVPCYRSS-OAHLLOKOSA-N 454.574 0.642 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)N(C)C)CCCC1 1286968255 JSZZPYJLDKNCDF-DLBZAZTESA-N 481.623 0.855 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC(=O)NC(C)(C)C)CC2)c1C#N 1290576883 KDWFUNXKULFOHG-KRWDZBQOSA-N 482.593 0.774 30 20 JCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1314637474 XXWZOFNXDLZLOJ-UHFFFAOYSA-N 455.519 0.678 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)CC(=O)N1C 1544723211 KUSUMZFAJUXUGU-INIZCTEOSA-N 489.627 0.862 30 20 JCED CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)CC1 1545713745 YSUJMHUNBIKXOM-QGZVFWFLSA-N 452.563 0.990 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1552886498 PRYWASWUKJMJSQ-GOSISDBHSA-N 457.560 0.909 30 20 JCED Cn1cc(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cn1 1554336696 JSGQGHVEGCRHEC-LPHOPBHVSA-N 466.543 0.419 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CCOC 1589404541 KOFOFHDLRSQPAI-AWEZNQCLSA-N 477.385 0.886 30 20 JCED CCCN1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1728156390 USJXLERZVFTYPK-YTQUADARSA-N 464.640 0.939 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779020464 OWZNIPIVLUIOOT-GVFUYMABSA-N 458.563 0.588 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)C1 1779098263 FCGMFMSRLJCBNI-MXJCJUMDSA-N 451.520 0.935 30 20 JCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779947369 NASTZDKZIZNSIA-NRFANRHFSA-N 470.511 0.021 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780021046 WVOOIBGXFJIYJY-JOCHJYFZSA-N 457.487 0.284 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4cc(=O)n5[nH]cnc5n4)CCO3)C2)c1 1781961733 OQBHHTWBIVEXEU-OAQYLSRUSA-N 451.418 0.186 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)COC(=O)C(F)(F)F)CCO4)C3)c2c1 1782195634 ZIOMUZKIFHSXFS-LJQANCHMSA-N 465.388 0.984 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783113141 DYKQXEANVIHESI-SEPYTNNBSA-N 462.547 0.344 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783506599 XRPRIVJXYAVURY-UZFJHSOTSA-N 461.515 0.551 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2)c1ccc(O)cc1 1784019637 MNFLVRAPLSMFPM-PXDATVDWSA-N 473.570 0.006 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1785573002 UTPGWYPOMUVKJA-AOMKIAJQSA-N 483.587 0.639 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCNC5=O)C[C@@H]32)c(O)n1 1785773129 GPXJBZRUOWBCEC-XERREHJYSA-N 494.552 0.753 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncccn3)[C@H]2C1 1786110646 YMUCISIDMOCSHJ-FJIDUMEYSA-N 457.531 0.987 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786564161 LHMWTFGNYOFNCN-HJOGWXRNSA-N 488.581 0.714 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=N/N5CCCCC5)[C@H]4C3)c(C)n2n1 1788601378 BGKFGGNXWJYQBL-UPHAJYCBSA-N 468.562 0.806 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788648555 OWWFDGLUWQTJER-SHUHUVMISA-N 496.605 0.086 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21 1788773985 OLKISLDHNQSLJS-RUGDWHBFSA-N 497.474 0.716 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(O)nnc4O)cc3)[C@H]2C1 1789272882 NUVOXEKGAINWPC-XIVBQZFQSA-N 469.498 0.310 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4CCOCC4)C[C@@H]32)c(C#N)c1 1789839504 BKOVBTUIUFQPKH-VJBMBRPKSA-N 470.570 0.811 30 20 JCED CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl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c1c(C)noc1N 1795577499 GLMCRRWBNADGHC-IVSAIRAKSA-N 461.519 0.685 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N)c1ccc(O)cc1 1795581515 SILHEQSTHNHFAD-CROMWVBPSA-N 453.543 0.319 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796344042 PYHVPDJBHNSUQE-OCVGTWLNSA-N 477.518 0.560 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1799233169 LSMOGHMDYJAHQI-RFBJODPTSA-N 490.601 0.799 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cc(Br)ccc3n1)C2 1800777498 VAJSYYDRKXMUHW-KSPBDQMDSA-N 461.272 0.388 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)[C@H]1c1cccnc1 1802477606 QKEAQPLAOLFUDM-PLVIEQCCSA-N 464.526 0.960 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)cc1 1802578585 VZOOAQRHNHZBQN-SIKLNZKXSA-N 471.454 0.927 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@H](CNC(=O)C(O)O)[C@H]2c2cccnc2)CC1 1802924760 ZJABGLQKRQMXHS-ZWKOTPCHSA-N 487.557 0.939 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1803544337 ITZFLCXRUXEYQV-OGWHTMIXSA-N 450.561 0.454 30 20 JCED Nc1n[nH]c(CCC(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)n1 1810152232 PXCMGAAHFUPPOU-VCXCEVIXSA-N 453.551 0.892 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810349227 IEIUIHXKQCDRFL-SVFBPWRDSA-N 458.563 0.020 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812872825 IAKNUZCTLYPKEN-TXPKVOOTSA-N 460.487 0.061 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccccc2C(=O)OCCO)[C@@H]1c1cccnc1 1812877464 JGKJMHJIXBNSAL-VGOFRKELSA-N 465.462 0.638 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1814209590 RGHWMHRMEWTAHJ-SXYSDOLCSA-N 485.585 0.727 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC#N)[nH]n2)n(C)c1=O 1815799964 UUJYNEWYBXAFNR-CQSZACIVSA-N 467.490 0.153 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cnccn1)CCN2C(=O)OCc1ccccc1 1828560382 XCRKEVSJOVUPOI-VWLOTQADSA-N 491.504 0.559 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@]2(C1)CN(C(=O)COC)CCN2C(=O)OCc1ccccc1 1828860024 IDYZINXYQRTORZ-JRUKXMRZSA-N 484.553 0.943 30 20 JCED C[C@@H](CN)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828954088 KUVDVXIHMVFCTP-GAJHUEQPSA-N 456.499 0.121 30 20 JCED Cc1cnn(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1829023738 YAOBANCKDKIDMC-VWLOTQADSA-N 493.520 0.732 30 20 JCED CC(C)CNC(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829058927 ULWHOQNIWMKEAQ-RUZDIDTESA-N 498.536 0.299 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCN2C(=O)OCc1ccccc1 1829390605 KPMCXYSQNYLRMP-XMMPIXPASA-N 463.494 0.941 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1830393461 OPVUVVQWOCVZNQ-QZTJIDSGSA-N 465.547 0.970 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456544 LQRDPROGVILXCY-FDDCHVKYSA-N 477.583 0.628 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1831387256 FYFRNULZBDUOKU-NTKDMRAZSA-N 497.589 0.413 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1831408758 ALWGWRIYTLOMJO-DEOSSOPVSA-N 457.527 0.983 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1832000443 PKAASBUFYSHGRA-FDDCHVKYSA-N 482.578 0.438 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832358369 ZCKJLEOTWCLLTB-CLOONOSVSA-N 489.617 0.516 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1835673093 WBELUTFKANARRB-DEOSSOPVSA-N 481.557 0.619 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1835718549 PSOFAAHZQBKPOC-KRWDZBQOSA-N 482.672 0.991 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)n1ccnn1 1835768304 XRQILBUMEADFJR-QZHRGZMLSA-N 461.567 0.940 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nc(Br)nn3c1)CCO2 1836255709 OZVLRSJAFSDUFL-FQEVSTJZSA-N 476.331 0.975 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)c1 1836781297 RESLZXPYJPLURP-DEOSSOPVSA-N 478.509 0.272 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1837400365 DFQZUWZAETXMQR-MHECFPHRSA-N 499.605 0.557 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837490608 ITIJMBYGXLUWOZ-DEOSSOPVSA-N 457.527 0.859 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837501887 FRXUALQZMVTIBP-XUZZJYLKSA-N 487.509 0.317 30 20 JCED Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527330 LMXGMWVYHLESGX-FWAUGURXSA-N 467.548 0.633 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1837529135 PUDRPUHDAUKWLC-FPHRNUPISA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837529447 USQFDCLLWAJQHW-GWWKHLLCSA-N 486.569 0.686 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837924909 UHYPCXZRGSTFQO-FQEVSTJZSA-N 452.895 0.709 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)C2)c1 1838905599 OJMKYGHPRZRELP-SFHVURJKSA-N 473.379 0.983 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132062 PSFPBNCTMGBBNK-XXBNENTESA-N 473.530 0.013 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F)CCO2 1839219349 DSDNMFYSKQOFBD-KKSFZXQISA-N 471.501 0.968 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1839227184 LUNKQIUPUCSXSG-PXAZEXFGSA-N 462.429 0.694 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)[C@@H]1SC(=N)NC1=O 1839362020 UITYBBFIHQXKQO-FMKFIRIRSA-N 485.566 0.625 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363304 CPEDZIACQBSWRS-CYFREDJKSA-N 488.541 0.666 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419791 VDOWJFPUHXZUHO-VFNWGFHPSA-N 467.519 0.448 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccc1O)CCO2 1839908511 ISWNWGBLOPMLBP-KDYRRFBVSA-N 461.515 0.920 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)C[C@@H]2C1 1840044293 BWECATRYFYAFQH-CQLNOVPUSA-N 491.541 0.178 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840045259 ZNBRGIXAYBFAJB-UZUQRXQVSA-N 479.530 0.390 30 20 JCED COC1(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)CN(C(=O)OC(C)(C)C)C1 1840161369 MJYVROKEAHVRHL-ZHRRBRCNSA-N 487.619 0.787 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840162839 JJNVGDQBGGVKPR-AVYPCKFXSA-N 461.581 0.037 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1840169283 VACLWJPEFKJNHE-HSZRJFAPSA-N 467.563 0.788 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1840170907 CBKJPGQPBCCFKT-YADARESESA-N 495.573 0.703 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1)c1ccc(O)cc1 1840219905 MENQWWTZSNZSLJ-HWHXTQLESA-N 487.553 0.408 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840252084 MMRZAUMVUWALAZ-MHECFPHRSA-N 477.558 0.988 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840289806 NRSUUIKOTTYIOX-QMHKHESXSA-N 478.546 0.919 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnn(C)c4)CCO3)C2)c(C#N)c1 1840465846 WHUIXYMFMFOSPZ-XMMPIXPASA-N 467.526 0.542 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n[nH]1 1840819755 CVGSMEZCBRGIHI-HSZRJFAPSA-N 453.499 0.668 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840895487 VVSKNZUXTMSDKK-QAPCUYQASA-N 461.631 0.258 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OC)C2)C1 1840908936 STTDIMQAVHAJEL-PNLZDCPESA-N 453.536 0.394 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1840944848 FCCXKVODHSTPTK-HXUWFJFHSA-N 454.499 0.706 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1847640869 IHAAXBNOWBTGOV-IDWKLCBHSA-N 468.551 0.993 30 20 JCED CN1C(=O)Cc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 12487273 YFFULITYMSCOGW-UHFFFAOYSA-N 460.537 0.772 30 20 JCED CN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)S(=O)(=O)c1cccc(C#N)c1 515587535 MRIHLFJDCMKYFZ-UHFFFAOYSA-N 456.524 0.968 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 520730510 XCMBJQPCHNUQQY-UHFFFAOYSA-N 468.513 0.767 30 20 JCED Cc1ccc(-c2ccc(C=c3sc(=C(C#N)C(=O)N4CCOCC4)n(CC(N)=O)c3=O)s2)cc1 550463320 NOXBQRPLTPPOBP-UHFFFAOYSA-N 494.598 0.794 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C 604270397 OKWBSRBCPPNHNI-UHFFFAOYSA-N 482.484 0.926 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)c(F)c2)c1=O 604472860 NVQSVWVPCPPHLH-UHFFFAOYSA-N 478.933 0.152 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1 615045020 MMVZHNQZLALMON-UHFFFAOYSA-N 463.560 0.887 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 728536238 PHHPARUMFHQMGD-UHFFFAOYSA-N 461.371 0.555 30 20 JCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(=O)NCc1ccco1 744908690 WIKBLKCZPGAHIM-GYQDZVIGSA-N 475.527 0.852 30 20 JCED Cn1ncc2c(N3CCN(C(=O)COC(=O)c4ccc(NC(=O)CC#N)cc4)CC3)ncnc21 830017096 VBDOOZURZDRHQM-UHFFFAOYSA-N 462.470 0.721 30 20 JCED Cc1c(Cl)cccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 838750971 HSCSSJFSSIAPKS-UHFFFAOYSA-N 469.954 0.956 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 899882746 QFCXGGINXCGPME-CQSZACIVSA-N 466.516 0.097 30 20 JCED COCCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918279808 JCWUOIBLXGBJIJ-NKFKGCMQSA-N 454.549 0.997 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2cccs2)C1 1302480805 VEAAGDLNRNFGPG-AUUYWEPGSA-N 497.578 0.544 30 20 JCED CS(=O)(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302500342 WMRMBODYXJHHAY-AWEZNQCLSA-N 483.396 0.761 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(S(C)(=O)=O)CC2)CC1 1303942707 YTOLALFFOSEFAY-OAHLLOKOSA-N 486.620 0.318 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2 1359076930 PLGHHZJTTKEDCZ-NSHDSACASA-N 463.358 0.876 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C1 1360785559 XXIQEQQXULQSBE-MAUKXSAKSA-N 474.609 0.176 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1593884735 JUWJCMQQMSSCRP-RDBSUJKOSA-N 470.017 0.621 30 20 JCED N#Cc1cccc(CC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 1629116017 UWEGIDOEKMJLJU-UHFFFAOYSA-N 455.540 0.865 30 20 JCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCN(c4cnccc4C#N)CC3)CC2)cn1 1669430775 JPFZKFZVQGBGEJ-UHFFFAOYSA-N 458.548 0.372 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1706078294 VOHHBYRUJULIQM-WBVHZDCISA-N 462.580 0.716 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1710888983 KNAZPUCBYPUBNH-JOCHJYFZSA-N 473.603 0.791 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(=O)N(C)C 1761497810 MHPVNTHTTBJGMQ-AWEZNQCLSA-N 495.009 0.828 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(OCC2CC2)c1 1761502384 YWVIEPPVMIFISE-WMLDXEAASA-N 461.548 0.849 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766945758 REJDMAJCKQEJNR-IBGZPJMESA-N 454.560 0.885 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1778080826 OWJIUNDIAOMEPG-DGGJZMOXSA-N 464.563 0.984 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nc1 1779062821 QEPLVCMMCIPCGU-QHCPKHFHSA-N 475.567 0.627 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1779400083 LYEIAMOTAMKQLK-DJZBOODTSA-N 452.504 0.033 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779424020 NMFMLQZHCNANHZ-BLGOACRCSA-N 498.577 0.872 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1780158486 MYDIXVRJVVZQHA-SANMLTNESA-N 484.549 0.978 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1781201700 HBZMQGVYKPDCSW-QFIPXVFZSA-N 461.519 0.871 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1781268546 SCIMXPUSSBYQIQ-LLJLJFOGSA-N 495.573 0.696 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(C)C 1781386174 DVOCGFLGAQSROM-QYXIYQDXSA-N 488.585 0.601 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1)C(=O)O 1781902871 PRYPAHONMJAVNU-JXFKEZNVSA-N 479.331 0.827 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 1783267873 GMILTJZDUZESCC-UFXZXOMWSA-N 490.601 0.943 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1783787587 QSVAQXWPLCBNPL-XVTZWQNCSA-N 497.589 0.846 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783835640 KLUPVGYKTHMKGX-MBSDFSHPSA-N 497.614 0.558 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783931806 LKAVTHYMJSCEAO-AVIJNYRZSA-N 483.562 0.902 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784111871 CCHLMVGQQOGPKJ-WAIKUNEKSA-N 476.530 0.211 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)CC)[C@H]2C1 1784446612 XPDDMWFKKUEFSY-XSLAGTTESA-N 487.619 0.870 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C[C@@H]21 1784485481 MSOPWFWFNYLNMN-BWOMAWGNSA-N 459.518 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785223127 KNPRLDIVDMGWDZ-CNXHMKESSA-N 478.505 0.418 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1)N1CCN(C)CC1 1785379406 BYLWWMABIDIPIU-CYFREDJKSA-N 455.559 0.403 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1)C(C)(C)S 1785632967 NPZRAPBYYOMFAL-JLTOFOAXSA-N 473.596 0.086 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)[C@H]2C1 1788251457 BUWUMBQLSJYGSY-ZOBUZTSGSA-N 458.519 0.255 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1789904180 HDYDUQLEZPGAQT-PJVZLEMVSA-N 478.590 0.962 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@@H]21 1789904462 REEORGBLTPBSOU-TXTZMMAHSA-N 453.584 0.112 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccnc5C(N)=O)C[C@@H]43)c2c1 1790328646 MODQTOPEDXGZGE-FNHZYXHNSA-N 473.493 0.836 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792140620 HRKRNERDRVRJSJ-ACRUOGEOSA-N 481.590 0.746 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1792257617 HIWSRLGVITYNNI-VGWMRTNUSA-N 490.517 0.828 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)OCc3ccccc3)C1)C2 1792490044 GRSUEYJADGIGMW-JEYNEBQYSA-N 496.564 0.703 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)NCC(C)C)C2 1793597754 WILNQYHPSOPFOH-XMTFNYHQSA-N 466.579 0.818 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cncn1-c1ccncc1 1794464740 VYYATMZWDVITFN-QUFBPKGLSA-N 468.514 1.000 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)C1 1797739985 MJYTVUUWACMLMB-KUZXJPOESA-N 497.596 0.829 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1797864202 AZWMOAWFOKILLQ-GJPCKUABSA-N 476.537 0.689 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)[C@@H](O)C1 1799200110 RHOLDIOPPAWHSH-ODAPTWBVSA-N 493.605 0.276 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2 1799321864 PGKMQKFZBRWUGD-YVSFHVDLSA-N 452.552 0.524 30 20 JCED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)c1 1800285003 OERKAZVNLWDQQN-YVWYUNDQSA-N 469.429 0.671 30 20 JCED C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C 1800879077 VTWMUEDALGMIRQ-JDCPMNFLSA-N 486.569 0.964 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2 1800992606 QMCPGQXZSBOHGS-HATOLVCRSA-N 481.590 0.937 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(C)C)c(C#N)c1 1801848888 FWDCZIWELZSZBW-NZGUISNBSA-N 474.514 0.613 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1801883730 TWSDXZSWDCRDNK-OPVJXMOQSA-N 488.566 0.214 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)cc1 1802580936 PJTWRBQDKAJPGQ-PGRDOPGGSA-N 483.492 0.642 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCNC(=S)NC)[C@@H]1c1cccnc1 1810310204 UZIHQIBJBVHSRH-SXQBJFQMSA-N 458.588 0.430 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)[C@H]1c1cccnc1 1812875591 YODDZMSUANCJPK-KPHUOKFYSA-N 465.466 0.182 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990060 LTUPKSKBYBYCRP-DFBJGRDBSA-N 498.584 0.581 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCN2C(=O)OCc1ccccc1 1829175875 IARSPMHMGPZAQQ-RUZDIDTESA-N 492.488 0.941 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCN2C(=O)OCc1ccccc1 1829246875 HTEJAXTUXWGYNU-MBSDFSHPSA-N 450.499 0.924 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1830300458 OQAIEUKIWJOMID-QQMNAOGKSA-N 469.579 0.929 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1830884154 QIYSTUIKIBBSON-IIBYNOLFSA-N 454.524 0.022 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1831437956 INYAXHFKMQKVTD-MHECFPHRSA-N 476.526 0.900 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1831495894 PAHMUXNCPLAAQS-FXAWDEMLSA-N 468.532 0.167 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251056 CTVOANWVGYTCAU-KRWDZBQOSA-N 484.399 0.307 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832498219 VVTCAAYFFBOWIY-NVQXNPDNSA-N 484.549 0.981 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4c(=O)oc5ccccc54)CCO3)C2)c1 1832760244 DNFLKPRFUVEMKP-XMMPIXPASA-N 479.493 0.955 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832920826 LHXYDISIEDDZEW-GAJHUEQPSA-N 493.561 0.846 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nc1 1833600285 WNTKNPZPZARXQZ-OAQYLSRUSA-N 473.511 0.069 30 20 JCED CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)o1 1833902645 JYCVFILLLGEDDN-QHCPKHFHSA-N 460.531 0.509 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834774951 JFFGLUYFZYJTSG-NFOSPISASA-N 467.482 0.624 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)(C1)C2 1835102146 HTQBZZKKNSYYLU-STEQJIOHSA-N 452.507 0.838 30 20 JCED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)CS(=O)(=O)N4CCCC4)CC3)CC2)C1 1835116940 QDVNXDIGHLJMSS-UHFFFAOYSA-N 452.621 0.950 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3nc4ncccn4n3)CC2)CC1 1835353093 YVCOGOHBRJSBTM-UHFFFAOYSA-N 469.546 0.819 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1835713572 ONUGCKHMXDLNKX-KRWDZBQOSA-N 458.563 0.334 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836022436 ZSIULBKVRUMLPW-UZUQRXQVSA-N 493.561 0.846 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)c1Cl 1836127958 HKQQFLXCRDGZIX-UHFFFAOYSA-N 486.960 0.949 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1836780638 GPVMEASUNROUNN-QHCPKHFHSA-N 457.531 0.280 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836980212 JWEBONMYMFLKLY-GYLQWBMOSA-N 453.499 0.263 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)cc1 1837313609 ALHXFMHNNNTBGA-HXUWFJFHSA-N 469.416 0.663 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1837403377 LRYXIAPUYYMEAM-AYEZWEBNSA-N 475.542 0.786 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838377728 HEILOVYOQQCGFI-QFIPXVFZSA-N 453.455 0.203 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838401388 VRNOZXPDILCVKK-UHFFFAOYSA-N 471.554 0.609 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1838568280 BZLKQLOIYVHSNS-QHCPKHFHSA-N 478.567 0.825 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5ncccn5n4)C3)C2)c1 1838582597 VBDYJFMKVNPKTR-XMMPIXPASA-N 476.493 0.993 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838742675 KYPACHVUXIFAHK-JOCHJYFZSA-N 491.520 0.915 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838773884 BBTKILUTTIXYKI-KRWDZBQOSA-N 455.511 0.892 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)cc1)CCO2 1838961277 DHDJSOSXLBZXOU-DHSLYTQISA-N 456.543 0.681 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1839173238 GCIYQZMKWFOZGF-HSZRJFAPSA-N 451.564 0.684 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424269 XLPHUCZCXJSDPG-KNQAVFIVSA-N 478.933 0.433 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(C)C(=O)CC4)C3)C2)c1 1839451310 MGVKIFFZSVYFTA-QHCPKHFHSA-N 453.499 0.545 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)C(F)(F)F 1839487430 IFLWWTIKCPSZQF-VQTJNVASSA-N 481.431 0.818 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(=O)n5O)C4)C3)c2c1 1839487467 JXUBDBPKNLHXLO-QHCPKHFHSA-N 478.465 0.217 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1839839052 VRZCTELOGQBPQX-KLGLLFHNSA-N 473.570 0.834 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1839844432 JCWZEFYGCWVHCF-AOMKIAJQSA-N 462.572 0.560 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-c4cnccn4)c3)C2)C1 1840043459 ZWWRMGSDXORPPQ-QHCPKHFHSA-N 450.451 0.302 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCCOC4=O)cc3)C2)C1 1840043669 NHZLVHKZZWVDOY-QHCPKHFHSA-N 471.466 0.191 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC[C@@H](C(=O)OC)C3)CCO2)C1 1840144757 KQNNLMQYRNFIAD-ISJRUSPKSA-N 450.532 0.461 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840293346 VMLPEZYWNGMKMT-HSZRJFAPSA-N 477.583 0.890 30 20 JCED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840434715 DCTIFKCABCHLKW-YADARESESA-N 467.526 0.926 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840906622 GISZEJWPAGFPCK-CYFREDJKSA-N 488.541 0.307 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1840906740 IUVKNHCPRARKIT-HOYKHHGWSA-N 494.589 0.274 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1840908425 BHLNZNBKXKGECP-MWTRTKDXSA-N 491.545 0.552 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1840908430 BHLNZNBKXKGECP-WAIKUNEKSA-N 491.545 0.552 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1841056434 HFEZQVXKDZQRRS-LPADLIQXSA-N 478.546 0.505 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C2 1841601680 YAKLKNPUEJAXGE-FHWLQOOXSA-N 476.574 0.600 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1844200676 DZDPRUJENVVSKC-MRXNPFEDSA-N 454.531 0.406 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(N)=O)C1 1845994104 VOKPYBXSEGXYRG-OAHLLOKOSA-N 481.550 0.261 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1846282529 SXLXGYQGQINGSQ-QGZVFWFLSA-N 458.515 0.508 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2)C(C)(C)S 1846302042 WEURGPCXFSZWOZ-QGZVFWFLSA-N 488.651 0.078 30 20 JCED CCCCN(C(=O)CN1CCN(c2cc(C#N)ccn2)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O 29446183 AEVZMTUCJCQZTD-UHFFFAOYSA-N 468.562 0.751 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)CC1 104976005 KYWDQNSFONQYPZ-UHFFFAOYSA-N 482.478 0.709 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3CCCS3(=O)=O)nnc12 490089538 RXWMLGNVERMJRZ-UHFFFAOYSA-N 462.557 0.474 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1C1CCN(C)CC1 516376149 GPGNGUSRLIWAJU-UHFFFAOYSA-N 486.594 0.459 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CCN(C)CC1 517984115 MDAMTAJUJKWASG-OAHLLOKOSA-N 485.566 0.739 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCCC(=O)OC 609220127 GZXQYPSYTJXHHA-UHFFFAOYSA-N 499.589 0.842 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 610928400 OSVFZJZCEBKWDP-UHFFFAOYSA-N 472.552 0.250 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cnn(C(C)(C)C)c3)c2=O)cn1 726180260 DFKRKGRJFGHZDA-UHFFFAOYSA-N 469.571 0.333 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CC1 728536275 RJNNJPBRRFRADB-UHFFFAOYSA-N 471.377 0.011 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 728551364 ILWPZTGTYOVLRW-LJQANCHMSA-N 475.615 0.906 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCS(C)(=O)=O 729674588 KYGMRGRMOHEJBM-UHFFFAOYSA-N 468.000 0.883 30 20 JCED Cn1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(O)nc1=O 916953155 KEVQDUSPSUWIMT-OAHLLOKOSA-N 459.484 0.622 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1315073003 VLURGNXAJVRGJI-MRXNPFEDSA-N 459.532 0.089 30 20 JCED Cc1nccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1492707554 ZPFSWVZYOZUDNW-QAPCUYQASA-N 461.596 0.660 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCCCC1 1510217869 LHMQTFQOEOYIQQ-FUHWJXTLSA-N 450.613 0.551 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c1 1554500557 XTAKKTISIDWWQD-SFHVURJKSA-N 453.528 0.949 30 20 JCED CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1554505855 YVFMPFHXYLCVGU-UHFFFAOYSA-N 471.522 0.622 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1596297677 UVJPFGKNKYOLPL-UHFFFAOYSA-N 487.586 0.128 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1698320212 ZDUBHPABODXPAT-LJQANCHMSA-N 489.602 0.436 30 20 JCED C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722483409 OHYXWPZVXJXANT-ZDUSSCGKSA-N 452.317 0.026 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1777962534 ABEZEOHGPDAYFJ-MNFWLRKXSA-N 483.606 0.959 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062848 QPPXCCAJUBCRBR-DEOSSOPVSA-N 489.594 0.768 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779424021 NMFMLQZHCNANHZ-SMYLMAJESA-N 498.577 0.872 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CCO2 1781269339 LSBSRUHUTZITEW-DEOSSOPVSA-N 494.508 0.524 30 20 JCED CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782837699 NAEMSZPYYYNMNE-ZJSXRUAMSA-N 471.510 0.855 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@@]3(C1)CN(C(=O)C1(C#N)CC1)CCO3)C2 1782851616 IIHMCOUQVRNSGV-WAIKUNEKSA-N 455.515 0.756 30 20 JCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(C#N)c2)C3)c(=O)nc1O 1783116146 JVCPEEYAPZBAQE-NTKDMRAZSA-N 465.510 0.957 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]nnc3n1)CCO2)c1ccc(O)cc1 1784018717 XDTASPPBJSPQIY-OSPHWJPCSA-N 491.508 0.159 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785151774 NNBRQWBHBMIPFR-KSWRQPAISA-N 493.561 0.034 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)C1 1786705482 HFLOAOVCAYNOLJ-TXTZMMAHSA-N 450.536 0.498 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788602171 LTTOIDCDOROIPG-ZRDREGPPSA-N 495.621 0.714 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5nccnc5C(N)=O)[C@H]4C3)c2c1 1789092201 QXHGRKFJFPHLIP-QRTARXTBSA-N 474.481 0.231 30 20 JCED CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079388 NQUPCIQQLKLPSY-NXOAAHMSSA-N 451.520 0.748 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)C(C)C)C[C@@H]21 1792255389 KGLIUAIKBZNULL-VPAKFMSCSA-N 451.564 0.900 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 1792426102 DPFDYGPFNYZJPA-ZGHDPVSRSA-N 469.538 0.676 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794974824 YRCUYGQYYIRFIN-UPHUGPLXSA-N 471.634 0.881 30 20 JCED COCCOCCOCCOCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N 1796044315 OPMCANRHIWXCAJ-WKCHPHFGSA-N 482.622 0.993 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1796394468 NGNWAUCATGNQBT-UYGTVQGXSA-N 498.577 0.645 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)OC(C)(C)C)C1 1797143022 IQBVGOJTZPLLAF-WQUHTSSASA-N 462.547 0.301 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COc3ccccc3O1)C2 1797809003 WWCICLAATVBWRF-IKBLBSFRSA-N 459.499 0.945 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798918953 QGWGWPOHWMSQDK-BLCPMEANSA-N 476.533 0.941 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)N2CCN(C)CC2)c1 1799185167 ZJMZLRUZSHROCG-ALOBAPJISA-N 455.559 0.406 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1800710444 KJJBTOVHYRYPGT-ZMMAXQRCSA-N 462.547 0.763 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2)c1ccc(O)cc1 1801054589 GNYQXMZFDSQXMC-UGNRZPKXSA-N 477.521 0.682 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCNC(=O)C2)N(C(=O)OC(C)(C)C)C1 1801070664 IKTVUJXOEDDANS-JNIAIEOXSA-N 476.574 0.668 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2 1802140843 OKAHOIMUUPPLNE-DJSSIZSOSA-N 466.535 0.401 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1807025371 AMPXTZXRADRRSW-GJUHQBNDSA-N 466.479 0.284 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)[C@H]1c1cccnc1 1812874082 HSIJOLNABZCAGB-BSRJHKFKSA-N 452.511 0.967 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815770174 ALCWZCYDZMDTOD-HZPDHXFCSA-N 465.470 0.951 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817815664 PPMFWGFJBJYUCT-KBPBESRZSA-N 455.479 0.415 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)N1 1825074238 KHVRDEOSYSTSIW-TYWMYEQJSA-N 463.535 0.733 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829631047 FQPJAMOBDWGDGV-MHECFPHRSA-N 454.527 0.638 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1829809045 RGUUFSLDPVJNSL-SBUREZEXSA-N 452.515 0.962 30 20 JCED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830741283 KASIPVABEXUFGU-UUOWRZLLSA-N 495.621 0.885 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1831132794 IJGYHPYQYRJTJV-XMMPIXPASA-N 479.574 0.788 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1831391420 AWUBLHJFJWMYSN-UUOWRZLLSA-N 468.510 0.111 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831425949 XVSXQHYLRAQFKH-IMWIBFENSA-N 497.589 0.670 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c(C(F)(F)F)n1 1831567941 OIYCPSJYGLOJJT-LIRRHRJNSA-N 483.403 0.150 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833426680 DHPIPMAPLAOKAN-HXUWFJFHSA-N 462.591 0.857 30 20 JCED Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](S)C(C)C)CC3)CC2)c(=O)nc1O 1833493243 HIDGCWXLSYZGIV-IBGZPJMESA-N 465.620 0.783 30 20 JCED Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](S)C(C)C)CC3)CC2)c(=O)nc1O 1833493247 HIDGCWXLSYZGIV-LJQANCHMSA-N 465.620 0.783 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)CN5C(=O)CNC5=O)CC4)CC3)c2c1 1833679303 UAGFATAZKRSCGZ-UHFFFAOYSA-N 492.540 0.172 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834973753 GIYUPDNXGPXAKB-SFHVURJKSA-N 468.562 0.766 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835117474 LRFJMFVZAQZPLN-HKARXFIJSA-N 480.562 0.191 30 20 JCED CC(C)CNC(=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835129236 IQXPWHGVZRNFTB-NSRYLYFRSA-N 465.595 0.859 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1835247187 KIRJVQXARQCGJA-WZONZLPQSA-N 483.562 0.022 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1835672631 FPYNOQBEADSNDH-FQEVSTJZSA-N 450.927 0.482 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835681156 QQWAIZKGNSKZSO-DEOSSOPVSA-N 471.558 0.997 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835767530 CLZXJJLXUUIWEF-YSDSBRIZSA-N 466.583 0.534 30 20 JCED CN1CCN(CCC(=O)N2CCC(N3CCC(NC(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)CC1 1835767768 QLXXKISHXLRSAQ-NXQYYGPPSA-N 492.665 0.725 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1836215518 AFCWOGOXBWHLEC-BSRJHKFKSA-N 465.547 0.227 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nnc(Br)n3c1)CCO2 1836256883 XIRYGWVAQDVOJQ-HXUWFJFHSA-N 476.331 0.975 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(NC(=O)OCc3ccccc3)CC1)CCO2 1836689349 URZDBGZTHGNMKK-QFIPXVFZSA-N 456.499 0.815 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc5c4NC(=O)C5=O)CCO3)C2)CCC1 1837139846 NKVJDDDDWWQLFQ-QHCPKHFHSA-N 452.467 0.585 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[S@](=O)CC)CCO2)C1 1837247460 UDPSARVZMHWIPW-MSHBGSJOSA-N 499.630 0.518 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1837396312 FSJXUQRVGCEAIZ-CPJSRVTESA-N 488.585 0.561 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1837397242 UONYMGJYCXNHCV-UZUQRXQVSA-N 490.582 0.708 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1837443839 RYSMTAWNZXXUDN-MOLSVDMISA-N 497.596 0.961 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1837447982 ZMAWXVVMFHZRSQ-DOVLQNSBSA-N 458.563 0.443 30 20 JCED NC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1ccccc1 1837527661 RXVLUZFRAATARU-GNCCPDGWSA-N 474.558 0.714 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837531616 RBSLNVSXQLJUJV-OGDVTRPRSA-N 490.542 0.685 30 20 JCED NC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cc1 1837532238 ASCCADSRQNGUBG-OXZVPYCZSA-N 474.514 0.385 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837561484 OBQMSXVQOWGVFJ-ZYYXFKTRSA-N 461.450 0.565 30 20 JCED O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567722 UUTZYEPKIVABHR-MICSQODNSA-N 485.493 0.985 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837704521 WSUIJDQVMFSAOF-UZUQRXQVSA-N 456.499 0.084 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1838584322 VKAYRNPBHHTNLJ-SBUREZEXSA-N 456.499 0.163 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838795927 JZABBBDFQQWHKQ-RDPSFJRHSA-N 469.542 0.910 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138597 JMKWNMGCGOKQTK-QFIPXVFZSA-N 487.619 0.903 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1839174900 CJRFHYJRZPIRLJ-FDDCHVKYSA-N 460.531 0.848 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1839176567 VGWCFQXHRNEVHT-DEOSSOPVSA-N 471.510 0.761 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2ccc(F)c(C#N)c2)CCO3)no1 1839187586 LIGQGPHROUSIDX-XMMPIXPASA-N 499.499 0.423 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363306 CPEDZIACQBSWRS-NTKDMRAZSA-N 488.541 0.666 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)cc1 1839363965 FSAIEOMKGJILMP-NRFANRHFSA-N 456.528 0.733 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)N1C[C@H]2C[C@H]2C1 1839488519 WXQKJGTXAZKRJL-GSONXBCMSA-N 478.553 0.845 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(c4ccc(F)cn4)CC3)CCO2)C1 1839723897 WYXKWYMGOKPWAH-UQBPGWFLSA-N 488.560 0.932 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839856662 CTJCLMAZEMEVLD-VGSWGCGISA-N 468.551 0.048 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839886265 QYBISKMXHYVXIE-CYFREDJKSA-N 494.589 0.535 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839893974 BBZYSKAQBSEYCM-QRWLVFNGSA-N 495.495 0.837 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CC1 1839898053 BVZKUIQIOLYWOP-JOCHJYFZSA-N 459.474 0.649 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1840108028 IYNOZMYLZJUGHG-RHGYRFJNSA-N 496.605 0.827 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840169122 KRNZSFNWUGTGPB-WZONZLPQSA-N 467.563 0.522 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840172815 KERHPBOOBIUXGW-JTSKRJEESA-N 453.536 0.655 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1840227313 NURHXBKDTKUMQQ-YKSBVNFPSA-N 454.527 0.473 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCn2cncn2)CCO3)cc1 1840355242 BQLMEPUHJMIYSD-HSZRJFAPSA-N 452.515 0.629 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1840795498 LMANXBDBKVZKLP-HJPURHCSSA-N 493.561 0.178 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1840913106 YCLPZCKGMWHLKV-GRJZNYKUSA-N 476.574 0.440 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1841053215 YVXJZPNULSTTEK-HJWRWDBZSA-N 464.522 0.663 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842920756 VNPQEFGIUPXLGA-MRXNPFEDSA-N 451.568 0.747 30 20 JCED COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259840 MPZOFTRTBIOQLJ-HKOYGPOVSA-N 468.595 0.748 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2)NC(=O)OC(C)(C)C 1846304389 GSBTVRRFNHMIRV-MRXNPFEDSA-N 479.578 0.928 30 20 JCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1846371610 CQWICIKIYRRPCG-OAHLLOKOSA-N 453.586 0.843 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)N(C(=O)OC(C)(C)C)C1 1846448840 JFUMJOMYRJKMBQ-GJZGRUSLSA-N 461.519 0.354 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1847511065 GVQZMLNMZCAJQE-WRIVCKFKSA-N 454.524 0.603 30 20 JCED COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1OCC(N)=O 505816989 DMHLOIPQCJLKCC-UHFFFAOYSA-N 487.538 0.647 30 20 JCED CCOc1ccc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 514456728 QFGKEXGTBPKPOD-UHFFFAOYSA-N 478.619 0.442 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCc1ccccn1 523577110 RXJOWQKFUDFJBR-UHFFFAOYSA-N 491.529 0.818 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 603988221 ZQHLAKVKLOEEOH-UHFFFAOYSA-N 496.633 0.938 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(OC)nc1 608884227 BKCUMUKDRGQNNG-HNNXBMFYSA-N 480.546 0.965 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cc(F)c(F)c(F)c3)c2=O)cn1 609074442 NNMXRJOWXWKWOB-UHFFFAOYSA-N 477.468 0.798 30 20 JCED C#CCN(C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 729331293 LWDKXXDCZNOWPX-HNNXBMFYSA-N 487.556 0.653 30 20 JCED CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2CCCNS(=O)(=O)CC)cn1 730721844 BPVZRKLPBAVPJA-OAHLLOKOSA-N 494.603 0.983 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(=O)(=O)CC)CC1 748055616 PVWOQCYRXBJPDI-INIZCTEOSA-N 456.590 0.778 30 20 JCED N#Cc1ccc(CNC(=O)CN2C(=O)N[C@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)cc1 915661080 JDKUKUAXMUXQII-NRFANRHFSA-N 456.455 0.938 30 20 JCED COCCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 916876006 YCMFSRLMDLZPKN-QGZVFWFLSA-N 467.544 0.966 30 20 JCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1OC 916922740 FEJJZNROLHGPNA-HNNXBMFYSA-N 465.466 0.331 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 1115860443 IVTQITPHAWTCCP-UHFFFAOYSA-N 460.556 0.174 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1543119394 WRTIDUXBDRGKHC-INIZCTEOSA-N 457.556 0.914 30 20 JCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1555806749 MMCLSINXLXJCAY-UHFFFAOYSA-N 452.562 0.333 30 20 JCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C2 1556210804 MBIUHWYVBNZECQ-UHFFFAOYSA-N 453.503 0.202 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1593808589 RYNHLPCGPYEPFI-MRXNPFEDSA-N 474.031 0.775 30 20 JCED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CCO1 1621668603 XLFFWRKQWWEHAN-TZMCWYRMSA-N 458.338 0.964 30 20 JCED CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1706637181 QCJZGFHOYZFUFR-UHFFFAOYSA-N 475.575 0.725 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1=O 1730788670 JZCSLAZDFWTFCV-LJQANCHMSA-N 481.557 0.607 30 20 JCED N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N2CCOCC2)CCO1 1731187200 ZXMBJRWRTPBCMA-CYBMUJFWSA-N 450.297 0.623 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749084288 QKMUGXSQKNEUKU-LBPRGKRZSA-N 499.457 0.563 30 20 JCED CC(C)NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750994117 PZEDGDDBIGJYLP-KRWDZBQOSA-N 472.575 0.298 30 20 JCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760307817 UUVNSCAXTGPDNS-ZIAGYGMSSA-N 453.341 0.965 30 20 JCED CC(C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1761249199 JRGYUHHQLODBHR-MRXNPFEDSA-N 467.596 0.656 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)C2CC2)CC1 1761546684 DOTALUVCRGHIMF-UZLBHIALSA-N 452.581 0.902 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)c1cc(O)nc(O)n1 1778017252 FHPTWUMWWRZUPT-VGOFRKELSA-N 458.515 0.714 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2c(=O)n(C)c3ccccc32)C1 1778783567 DSJCEEVVRNCQNG-NXQMDHLFSA-N 468.554 0.892 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1779317745 GFLROHUTTMMUCJ-OFNKIYASSA-N 458.515 0.090 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1781311290 QMSLFMSXNSMUPV-MFSJNOQSSA-N 472.542 0.822 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781373108 VZBYKCKCGPPSCU-GCRLEYHISA-N 476.574 0.907 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1)[C@H]1SC(=N)NC1=O 1781963016 AUADLTRKIFADSB-LSWYUMSHSA-N 459.503 0.943 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 1782966564 KKPBFSUTAJEORA-LXHZQTKUSA-N 460.462 0.965 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21 1783532823 INVGNEYKVVQIAW-ZGCDOVMNSA-N 478.549 0.735 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783915027 GVFKXFFXQLAACK-CMOCDZPBSA-N 456.543 0.622 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1784506290 LOIPISZKHLXRMG-BCYZHJNNSA-N 469.579 0.833 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)c4cccnc4)[C@H]3C2)c(C#N)c1 1785170222 NQCLUDIZXZJBMB-VJBMBRPKSA-N 491.548 0.914 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2)NC(=O)OC(C)(C)C 1785305504 NJPPDSRZRXNEAJ-BXKMTCNYSA-N 490.557 0.601 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785330179 RKJPLAWHTAEFMI-OAOQPFQOSA-N 462.572 0.892 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)CCO2 1785426418 YYRLWRHEZDMIIC-VWLOTQADSA-N 458.603 0.953 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC[S@@](=O)CC)CCO2)C1 1785576492 DPJOUJMEOXKJFO-UFMLHLBNSA-N 469.604 0.892 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1786859791 ZYEXYOFNBIXBDL-AVGNSLFASA-N 457.457 0.699 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C[C@@H]32)c1 1789260022 UOGUGJRPFMZMGN-LRQRDZAKSA-N 495.492 0.930 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)[C@H]2C1 1789911750 DEZYLEOPSVOUAC-RVPHFEHCSA-N 457.593 0.968 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3ccc(C(N)=O)cc3)NC(=O)OC(C)(C)C)C[C@@H]21 1790789559 DWMDOLLJBQVZEV-BURNTYAHSA-N 498.580 0.834 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C1CC1 1791072873 GSSKKQPEDJKCDT-FJIDUMEYSA-N 463.531 0.748 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@H]4NC(=O)NC4=O)C[C@@H]32)cc1C#N 1792056873 IEMOOPYWDKIBRD-BOLBYERCSA-N 483.525 0.537 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)C[C@@H]32)cc1C#N 1792058791 ZUZUHKBEVJHLKP-OYJIISJGSA-N 456.543 0.662 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1792257868 OPGNPJXCDQXUIY-MUGJNUQGSA-N 478.590 0.215 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1792267831 IXICFSJCQCXGFS-HSHCXIQHSA-N 464.563 0.570 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792423087 VHDDTJOPHZKCMU-IIZPIQPGSA-N 486.569 0.966 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792583211 LUJYUBBDGHTSJZ-PKRADWSKSA-N 478.590 0.962 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1793088862 NKNHMUOIGNTNNI-RFXPCRSYSA-N 480.562 0.955 30 20 JCED COC(=O)[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1)NC(=O)OC(C)(C)C 1793261170 ALYPILQMVXTRBD-AXVVYFOYSA-N 463.531 0.446 30 20 JCED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]cnc3n2)c(C#N)c1 1796184785 DGCJICTYRBWDEC-BJWYYQGGSA-N 461.482 0.792 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2sc(C)cn2c1=O 1797064431 KMOXVYDBBPTGIB-FSDCSDTHSA-N 460.556 0.841 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797103298 CIQPUYVORHFBKU-ZXFNITATSA-N 481.513 0.575 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)C1 1797145575 JQPBJXLRUZOGKN-ZJLFBGSRSA-N 463.579 0.915 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1 1797614886 HMFCJNFAVIOMTF-ZFUSTQJFSA-N 474.558 0.327 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1797712710 SVZZMTMIVUYKDV-CWQOZTLDSA-N 497.589 0.606 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797803693 MRJJCZWKSVWQOB-PQTWGXLHSA-N 496.605 0.086 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797810379 QFEMGYOKIJUVAX-ZIHPPQKVSA-N 498.577 0.381 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1799390207 HXIINJHZKCOEQK-NYCLONFESA-N 452.533 0.489 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C(C)(C)S 1800781168 KRFQSUARMHOUGK-DLTLXFJOSA-N 469.560 0.266 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801435588 RPEZSQBMGRWCKG-SIRPWMCASA-N 463.539 0.293 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H](CNC(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)n(C)c1=O 1802684619 OIGHJRRUTXEIER-AEFFLSMTSA-N 492.540 0.084 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)c2cc(C)on2)[C@@H]1c1cccnc1 1803548521 LKKXGGVLRDPKMF-HGHGUNKESA-N 453.499 0.852 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807120134 JPWAYKCNHMNNRG-IRFCIJBXSA-N 497.600 0.844 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2c2cccnc2)ccc1F 1810351360 KBZIYVMIVPYPPD-RZPHLTDDSA-N 481.528 0.991 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1810399529 NZOQPMQDVRJKCB-OKEGVBJISA-N 457.531 0.086 30 20 JCED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)c1 1811795202 KJFAZNOTKFKMKN-QUCCMNQESA-N 457.427 0.998 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@H]1c1cccnc1 1813335194 QFCDCLMTAZOLKE-OGAQULOVSA-N 493.568 0.416 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814929113 MLFBLTHFCUDBIY-CQSZACIVSA-N 453.528 0.846 30 20 JCED NC(=O)c1nccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819904858 LFWMQNVZFFAFFG-TZJPTUFISA-N 473.515 0.787 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822197575 VBWKYMWURYAYAZ-ZFWWWQNUSA-N 463.491 0.766 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3c(c1)NC(=O)CS3)CC2 1825670514 DWAVROHBRAPJFL-JTQLQIEISA-N 457.493 0.896 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCN2C(=O)OCc1ccccc1 1829090867 YJLMIUIFMYGCEK-DEOSSOPVSA-N 473.493 0.823 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccnc(OC)c3)C2)C1 1829764637 RFWUSCSHPQTSLL-ZKWSMMDQSA-N 472.542 0.338 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1829769242 OWYXKWSEYRBNBW-KWQGRVAKSA-N 487.553 0.376 30 20 JCED CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1829848016 WJAVUJWNMYEMED-JOCHJYFZSA-N 497.520 0.270 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1830568925 OJNLHXOXMQDQRU-MBSDFSHPSA-N 485.578 0.311 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830606814 JLWFIPGSAMGOMX-GAZXMLTASA-N 477.558 0.891 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1830883483 DTUQDRUEFDPTLC-ZHRRBRCNSA-N 466.535 0.022 30 20 JCED CC1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1831104142 LXVNGSAQPMOMPD-GOPWYIOASA-N 466.579 0.704 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218748 DPGOBYBSVQUYKG-JPYJTQIMSA-N 465.547 0.132 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2)C1 1831325144 WYGFGZYLUVMWKP-UWJYYQICSA-N 459.609 0.763 30 20 JCED CC(C)[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)N1Cc2ccccc2C1=O 1831345950 KPUICPINRGCGII-DHLKQENFSA-N 483.521 0.211 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CC(N)=O)CCO2)C1 1831613681 BOHVOPQZNCCFAK-HPCCJCSGSA-N 494.589 0.424 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1832452922 JWAVCCCZNQDOTJ-JOCHJYFZSA-N 460.556 0.956 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c(-c3ccc(F)cc3)c1)CCO2 1833616108 YBQSUUNWQFGFHT-HSZRJFAPSA-N 455.442 0.979 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2 1835207670 GOTDEIHIRIAWBB-YLNCNTMDSA-N 480.562 0.168 30 20 JCED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835338564 LONIRLJRUZFSCP-QHCPKHFHSA-N 460.531 0.924 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)CC1 1835342069 JKUPLPZPYFKRQM-HSZRJFAPSA-N 451.483 0.539 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835377478 ZIRWWQHURQDFQH-FGKIGFKSSA-N 452.552 0.458 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1835676837 COBBDRAOKBNZMU-QFIPXVFZSA-N 455.519 0.081 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1835795387 TYYKOHAFICSETE-INIZCTEOSA-N 455.563 0.716 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)COCCOCCOCCOC)CC2)CC1 1836862736 WHFLHFWADHRNJS-NRFANRHFSA-N 498.617 0.720 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837154371 WODGSZZYUZKAQL-SANMLTNESA-N 490.516 0.951 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1837445108 CZOVHXDMEGGABW-YQZWHDKKSA-N 475.590 0.316 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1837488345 BIAMZODAIIWFOQ-JOCHJYFZSA-N 462.934 0.899 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838161571 OEVIXPLNHQVCHY-VKUXZERMSA-N 450.442 0.288 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1838195604 QBEAXWHUXPBQFC-COQMUBBDSA-N 475.546 0.747 30 20 JCED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)n1cnnn1 1838404766 WEIVSXYBZRPPSQ-CFZWTVACSA-N 463.539 0.762 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(OC)cc4C#N)CCO3)C2)n1 1839133093 YZQCKHYWMRWWBJ-RUZDIDTESA-N 497.552 0.722 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839373199 XMBDZBVJSVKSLT-SZNDQCEHSA-N 451.476 0.674 30 20 JCED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839466693 PBMLAMBLLLYWDZ-HSZRJFAPSA-N 489.529 0.961 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1O 1839472592 FBAPCDPZQKYJNY-DEOSSOPVSA-N 487.557 0.702 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)n1ccnn1 1839707790 GHFCVJHQPMXHIN-YVLOFKIZSA-N 459.528 0.796 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NO[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 1839810859 VUDJYBDATGTUAK-XZOQPEGZSA-N 476.530 0.232 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)C1 1839841054 LSWBAKPMQQCHFC-CLOONOSVSA-N 498.584 0.848 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864838 SIYVIXOYGXYXAD-HOYKHHGWSA-N 494.589 0.405 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)NC(C)=O)CCO3)c(C#N)c1 1839878667 DHRZJKMVPYGJEX-QMHKHESXSA-N 458.515 0.090 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(C)=O)CCO2)C1 1839882091 UDUKNIMAOPIIFO-XNDUBXFTSA-N 494.589 0.437 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1839889328 ORICDSGDVBPIBA-OAQYLSRUSA-N 468.501 0.955 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1)C(F)(F)F 1839892001 MPPWBEWNVPLMTA-RNODOKPDSA-N 486.447 0.568 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C2)C1 1840041409 LIXWGVVWZCXNJN-FQEVSTJZSA-N 454.401 0.792 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1840204834 PPELRLPKPWKJGA-IBGZPJMESA-N 454.405 0.307 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1)c1ccc(O)cc1 1840219769 DIBOZDSOPQSAFR-HWHXTQLESA-N 469.538 0.624 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251505 IDHXBOBAXYVRKE-GAJHUEQPSA-N 477.514 0.096 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840292057 UQPAJWKXABHFJP-YADARESESA-N 481.590 0.912 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840294698 OAVNDERRSXFXAY-CYFREDJKSA-N 481.590 0.912 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)c(O)n1 1840475073 MQGPFKFCAJBNGX-AOMKIAJQSA-N 471.518 0.224 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCS(C)(=O)=O)CCO2 1840549908 RNOQZVYCASSUFQ-NRFANRHFSA-N 472.680 0.929 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1840842356 CJFOKVAACNMSJU-YDIMBITNSA-N 479.574 0.474 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840857095 IUDNULGXGFBHHM-RDGATRHJSA-N 497.527 0.843 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1840907449 VSMBLYHVJZSPPF-GAJHUEQPSA-N 481.546 0.313 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841961410 ODEBUCPIIXTQKC-CABCVRRESA-N 463.535 0.647 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2(N3CCN(C)CC3)CC2)C1 1845104219 ZVUMXDFDJWDPIW-IBGZPJMESA-N 473.618 0.886 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)N(C(=O)OC(C)(C)C)C1 1846448933 UCGMAXXTZVRTRR-SFHVURJKSA-N 496.630 0.486 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1 28890037 KBROCYFVULTUBZ-UHFFFAOYSA-N 477.568 0.541 30 20 JCED Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 483166989 ZFKGRALAWYPNFC-UHFFFAOYSA-N 455.496 0.437 30 20 JCED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)oc1C 518723236 JRNUUVNZPOPPNO-UHFFFAOYSA-N 470.551 0.646 30 20 JCED Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccc(S(C)(=O)=O)cc3)c(=O)n2CC(N)=O)c1C 590052237 REVJAKSPMVHSON-UHFFFAOYSA-N 495.582 0.801 30 20 JCED Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccncc3)c2=O)c1C 603787007 TULFUSAEFQJPKN-UHFFFAOYSA-N 489.601 0.862 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)ccc2C)c1=O 603796729 MGMYPLAGDQUDFI-UHFFFAOYSA-N 454.596 0.888 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1CC(N)=O 608911255 WARUMZAAFWPUPA-UHFFFAOYSA-N 482.587 0.779 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1=O 620119736 DFCBIDOMLMVGDO-UHFFFAOYSA-N 454.892 0.150 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)O)c2)c1 621592689 OOGROMVGMAELNV-UHFFFAOYSA-N 453.498 0.766 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccs3)c2=O)cn1 727814291 FHHBBAUHDNYONY-UHFFFAOYSA-N 455.565 0.309 30 20 JCED CC(=O)N1CCN(C(=O)COC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 779348699 XDQBYSZRERYSAW-KRWDZBQOSA-N 464.544 0.374 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 811833877 XJXYAFXMMRMAFO-HNNXBMFYSA-N 493.563 0.150 30 20 JCED CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)N1CCOCC1 918253647 XGIUGWPWYXIQLE-UINQJLALSA-N 479.603 0.911 30 20 JCED CCN(CCC#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 918886453 GOXXCBKPTXHTLA-UHFFFAOYSA-N 450.517 0.458 30 20 JCED N#Cc1cn(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c(=O)nc1O 1151986769 YZMVFUVHUWRLFO-UHFFFAOYSA-N 455.855 0.146 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC2)c1C#N 1205028163 VSTHYPOPALLJHZ-CYBMUJFWSA-N 451.475 0.254 30 20 JCED CC(C)CN1CCO[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1287789668 SMUHPLPWGFRLBH-SJLPKXTDSA-N 453.613 0.985 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1288170196 NINRHLHEPXXYIQ-UXHICEINSA-N 453.547 0.760 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1517630046 ZPWGANXQUYEXKM-UHFFFAOYSA-N 470.559 0.985 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)C1 1541569950 WDCYASGDOZHMDF-QYZOEREBSA-N 483.639 0.706 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1552408520 CIPBICCCNCWYAN-INIZCTEOSA-N 475.575 0.725 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1692748686 UBNNMDWNNOTKGG-FQEVSTJZSA-N 480.617 0.995 30 20 JCED Cc1ccccc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1693267748 IHOPJVRGNQKIPS-MOPGFXCFSA-N 460.560 0.891 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C 1708181479 RDFLFYLRDHSSRT-RDJZCZTQSA-N 457.560 0.765 30 20 JCED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)n(C)n1 1762400500 LVZYKJNLFTWKDL-XLIONFOSSA-N 462.580 0.831 30 20 JCED N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCS(=O)(=O)N2CCSCC2)cc1 1771532215 RWGRCPGRODVYDL-UHFFFAOYSA-N 489.627 0.897 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1779074129 VWQZGLFMXLUOGR-OFNKIYASSA-N 457.483 0.691 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)n1 1779234818 LNROCBCYRMAMJK-HSZRJFAPSA-N 458.563 0.399 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCNC(=S)NC)C1 1779377858 XWWUOODBVBUFEM-IIBYNOLFSA-N 454.593 0.494 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)cc1C#N 1779880520 ALAWOFGUHJORCP-DEOSSOPVSA-N 478.509 0.992 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(CCO)CCO)C2)ccc1F 1781838313 CENWSJPAFUBODU-ZJSXRUAMSA-N 476.549 0.040 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NCc3ccc(OC)cc3)C2)C1 1782780969 NIHLVTKLPWPEDS-JZHMJGTCSA-N 498.580 0.780 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873427 VLQJSSXUIIAGIF-BXTJHSDWSA-N 486.541 0.208 30 20 JCED CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565517 MCPWRGYZECRKCQ-ZJSXRUAMSA-N 471.510 0.855 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1783783762 GYRGXUZSAOALOA-QZMQVMSPSA-N 481.546 0.311 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccc(O)cc1 1784117807 NCFGGUDUMGKKTI-KBMIEXCESA-N 465.506 0.644 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784596625 BKARQXCZIKKODR-JLHGSKIFSA-N 477.566 0.924 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)Cc4nnn(CC)c43)[C@H]2C1 1785328165 LMTPTIZXYKKENS-DWRORGKVSA-N 486.573 0.745 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786369826 SOVUSFBBIYUVKZ-DFQYRXGOSA-N 489.573 0.253 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]2C1 1786844095 FJZQZQKVLJKPLG-SPOLIRPYSA-N 466.579 0.247 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859578 QHQMALGXFJFSGF-VJANTYMQSA-N 495.621 0.524 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]4C3)cc2C1 1786859939 MGAOKUOFGKRKKC-CUWPLCDZSA-N 471.606 0.594 30 20 JCED Cn1ncc(I)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1787775016 FZNHTJJGQIYTFH-GVXVVHGQSA-N 457.272 0.532 30 20 JCED CCCNC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788653112 UWKGAEOPESZIRW-JHLSVYKXSA-N 452.552 0.802 30 20 JCED COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788680993 FEPFHGVXALCPQN-AYSOLLAVSA-N 465.547 0.748 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]32)c1 1789259127 JUNGCHWDTLZKET-RJZVVRIISA-N 459.499 0.776 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790652612 URYGTBIQKVXHHN-DNUAJFIVSA-N 452.533 0.691 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3cncn3)[C@H]2C1 1791526094 VGDNWKZLDYXZKR-VJANTYMQSA-N 474.562 0.565 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn(C)c(C)c1Br)C2 1792489774 RCBHRPRPXKACBT-IDZYNVOGSA-N 480.363 0.553 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795848881 DYYUJFJEZFTQHK-CLWJZODNSA-N 488.541 0.516 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1)c1ccccc1 1797803329 QFZGLDKNVPURKT-NPKKMJAZSA-N 455.555 0.424 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O)C2 1799305451 KGHJDHFKMWHJEL-MHXAIHSWSA-N 489.544 0.972 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1799350100 LEXXLUAYSZYJJC-DFBDCSAJSA-N 455.552 0.443 30 20 JCED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1800839507 QTPRJKMCMZGVFB-OPMZPASUSA-N 463.506 0.970 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1804460632 ZWTDPCHIQOSWMF-QKPAOTATSA-N 479.534 0.054 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cccnc2C(N)=O)[C@H]1c1cccnc1 1804806845 CPMBHECXFVXXQD-HTNYWEHUSA-N 462.510 0.754 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)cnc2s1 1812877651 OGPZTEZSVUCQSK-HNAYVOBHSA-N 465.491 0.867 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812905430 XERDIVHVVUECAM-NYUBLWNDSA-N 486.525 0.546 30 20 JCED N#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CC2 1814502614 LJHUCENTPILOEM-KWCYVHTRSA-N 476.584 0.539 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814979778 NUBNNMJLALTSNC-UONOGXRCSA-N 484.586 0.945 30 20 JCED O=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCN3C(=O)OCc3ccccc3)C2)CN1 1828575499 LPXBZNTXHGFZSL-QFQXNSOFSA-N 478.549 0.988 30 20 JCED Cc1n[nH]cc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334270 HDBCHFPHJJCPMJ-DEOSSOPVSA-N 479.493 0.872 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nccnc2C(N)=O)CC1 1829507114 WFRYIKYUBYJSCW-TUYSUELWSA-N 454.531 0.667 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1829762499 KUYOQHXEESKAAU-YTRVONPVSA-N 488.585 0.092 30 20 JCED C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1829807612 BEHARKQLKQJOIY-CWJOQQPHSA-N 472.590 0.920 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)c2ccco2)CCO3)c(C#N)c1 1829825836 MJIOLWMLVIRRBY-UPVQGACJSA-N 469.494 0.892 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829900631 IIDFVYUZBDCGLU-HSZRJFAPSA-N 453.499 0.613 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830761309 GGHDSETXSVRZHM-HYBUGGRVSA-N 456.543 0.878 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831218415 SLVXUGFDIFHSLT-IMWIBFENSA-N 477.558 0.084 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)ccc3-n3ccnn3)C2)C1 1831398696 JCIYGKHZHGDTAM-CYFREDJKSA-N 467.526 0.684 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1831420789 ZZXQJXXLSWMTLB-LXAKAXFHSA-N 471.554 0.907 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1831490386 BJPSGSLVHOBEQZ-XXBNENTESA-N 474.583 0.958 30 20 JCED C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1)C(F)(F)F 1832149584 AFSPVNPIDUHVNS-STQMWFEESA-N 484.321 0.111 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1832456953 CWSNUDFCTITKAI-QFIPXVFZSA-N 489.554 0.668 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832677277 UZIWPNFKIFZXGP-NXWDISQXSA-N 462.503 0.446 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832804363 QKENFSVCAQBLIX-QFIPXVFZSA-N 484.469 0.198 30 20 JCED COc1cccc(N2C[C@H](C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)CC2=O)c1 1833043852 ACQLVZQRCLCROD-GOSISDBHSA-N 496.564 0.708 30 20 JCED O=C(C[C@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1833762681 RULBLPBHQJSNOF-HXUWFJFHSA-N 485.972 0.861 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1835675207 XBKGOPBIDXMRIM-RDPSFJRHSA-N 457.575 0.467 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)c(C(F)(F)F)n1 1836320946 YTSWDVURBDCNHG-FQEVSTJZSA-N 492.414 0.851 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1837526997 IANSBTUBSYHFRC-WWCXEQRYSA-N 450.467 0.820 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1837610753 YXKPBBJLTDRUFD-YWZLYKJASA-N 467.473 0.263 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837633810 RXXHTTDXQLZXKN-IOUFHMPJSA-N 463.556 0.828 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838415798 XOUMFHKDTHYCJM-XMMPIXPASA-N 478.530 0.878 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838579590 RYERKJPPOSZWEX-MWTRTKDXSA-N 458.515 0.552 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4cncn4)C3)C2)c1 1838583552 IGTNDMZWYASOFT-OPAMFIHVSA-N 454.487 0.490 30 20 JCED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1OC 1838840973 PQVMHEAPLQZQHN-RUZDIDTESA-N 487.553 0.867 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1839109630 OQGZDZGVWBQWCP-IMWIBFENSA-N 479.574 0.474 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1 1839130833 WRIRHEOPVQJLHL-FDDCHVKYSA-N 465.547 0.729 30 20 JCED CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(OC)cc4C#N)CCO3)C2)COC1 1839132843 SCRZQQMRDIDLID-DEOSSOPVSA-N 457.527 0.992 30 20 JCED C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1839164277 LNEKQCZVDBRACA-XOBRGWDASA-N 479.331 0.525 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1839173755 JYIWLDPMKJGVBW-QFIPXVFZSA-N 457.487 0.537 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186187 FXOWMZOOJFOLLK-AWUSRGSFSA-N 459.474 0.816 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839209588 ZJHOTKQGXZNASJ-JPYJTQIMSA-N 465.547 0.132 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccc1)CCO2 1839216705 KDEASKJIFAOPOT-ZLWFTYKOSA-N 457.527 0.769 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363409 TXOHFMJWIZKDDL-ZJSXRUAMSA-N 487.509 0.317 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c(Cl)c1 1839422972 UXEKVUHTHFQDDM-OPAMFIHVSA-N 460.918 0.808 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)n1ccnn1 1839705648 NQHDFUNLUPHLJR-MBSDFSHPSA-N 452.515 0.800 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1839841850 ZJBQLTFLTDVDFY-HYFFOGBASA-N 455.552 0.541 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccc(C(F)(F)F)cc4n3)C2)C1 1840044346 DYGGYMLDVKHBSD-FQEVSTJZSA-N 480.399 0.511 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840060158 FZXKJFLCRXRSRB-SAHWJRBASA-N 480.562 0.363 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1)c1ccc(O)cc1 1840221047 RMPFBNREINDJBK-WNCULLNHSA-N 498.624 0.593 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CN)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251610 OZVRWLMVYAIHND-IEGUWTFLSA-N 466.579 0.603 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840783007 PJJIBOKMZIIXLA-CVDCTZTESA-N 450.507 0.961 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1842872653 XVXWEFPBCFBBPP-OAHLLOKOSA-N 461.567 0.650 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1845199285 PEVYTDVITUQMMV-HUUCEWRRSA-N 463.535 0.647 30 20 JCED COc1ccc(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 10474247 WHXTVHDIJIMRAD-HXUWFJFHSA-N 451.501 0.681 30 20 JCED CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 516014096 RLFRAHIXYOXRMG-UHFFFAOYSA-N 499.549 0.545 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnn2Cc2ccc(OC)c(OC)c2OC)C1=O 522251010 BZLZGAWMQOIUFN-UHFFFAOYSA-N 457.443 0.873 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(=O)N(C)C 604270545 XRAYPRQVYRFKKG-UHFFFAOYSA-N 482.484 0.926 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434384 OFOCHNCVNWNRSB-UHFFFAOYSA-N 474.495 0.265 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2-c2ccc3c(c2)OCCO3)CC1 619538710 TVTQBLYTNDCORV-UHFFFAOYSA-N 492.557 0.930 30 20 JCED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)cn1 726112200 NOURTKFWWGIJNW-GOSISDBHSA-N 497.581 0.743 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CC1 728534446 LEZWUMHQDDRDKP-UHFFFAOYSA-N 454.980 0.878 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 728535679 CDCVTQPAOHXIAL-SFHVURJKSA-N 461.544 0.340 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)ccc1F 729671404 LSUNTGVRRCOJBR-UHFFFAOYSA-N 451.545 0.430 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2ccccn2)c1=O 729675110 SJAOPMHIHJZRKQ-UHFFFAOYSA-N 457.508 0.874 30 20 JCED CS(=O)(=O)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 800764370 JMACXDKPYYFREL-UHFFFAOYSA-N 451.482 0.422 30 20 JCED CC(=O)N1CCN(C(=O)[C@H](OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C(C)C)CC1 913243661 ZNBIDBYDZHHNAV-LJQANCHMSA-N 450.517 0.095 30 20 JCED N#C[C@H](C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917012578 AGPCRMJYAAUSDY-GCWQVDJSSA-N 477.477 0.759 30 20 JCED COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 918309214 FBXPLSMBLHWNIF-UHFFFAOYSA-N 485.522 0.615 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)cc1 918400586 GFONECDYJMPZHO-XIEYBQDHSA-N 471.543 0.577 30 20 JCED COc1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C(=O)N(C)C)cc1OC 918475749 DQBPMLCLYHPQTB-UHFFFAOYSA-N 466.498 0.960 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCS(=O)(=O)C2CCCC2)CC1 919334383 UGKHAIZUTGCDBH-UHFFFAOYSA-N 497.595 0.682 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1 920245779 UDLXMMASEHIZDA-MFKUBSTISA-N 473.515 0.746 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1360713690 JEJBOJDTKAQNNQ-CRAIPNDOSA-N 473.559 0.792 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1504131790 MNPLXCQNTSNGDE-KXBFYZLASA-N 476.559 0.973 30 20 JCED COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1 1668977190 ZUFNRYJMNBETPK-UHFFFAOYSA-N 450.521 0.474 30 20 JCED CC1(C)CN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CCO1 1724011654 QVSQIASDXSTOFK-PGRDOPGGSA-N 495.650 0.852 30 20 JCED C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 1749245018 YHOGXOKTEFBDRI-IEBWSBKVSA-N 474.587 0.991 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1CN1CCOCC1 1751240015 YKLQBJJZQMUSMU-FXAWDEMLSA-N 489.602 0.498 30 20 JCED CC[C@@H]1CCCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1763330449 PXZYXLAKKNFPLG-GUDVDZBRSA-N 481.623 0.604 30 20 JCED CN(C)C(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1766862372 UOGXLZTUGMJORL-INIZCTEOSA-N 461.548 0.402 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1768428560 OVWBTKQHVJTRQN-HXUWFJFHSA-N 485.614 0.994 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1=O 1769900566 NQDRXDZPYSDATI-LJQANCHMSA-N 487.586 0.536 30 20 JCED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1771353633 PSBIKPJKPAUJEW-UHFFFAOYSA-N 466.589 0.723 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1778370785 JFPGGXNHGXJWSE-SPLOXXLWSA-N 480.591 0.791 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCOC)CCO2)C1 1778922363 ZEVOVZJTTJVENL-UZUQRXQVSA-N 498.577 0.658 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(F)c(C#N)c2)C1 1780755936 VAJFVRJWPFXKOB-YZUZCNPQSA-N 474.533 0.905 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc(Br)ccc3O)C2)C1 1781194483 NXKAHNSIWVVCRA-IBGZPJMESA-N 451.273 0.615 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)C(C)C 1781386037 BEHIYLLMEDEGJU-VLMPBXDWSA-N 484.619 0.506 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)N2CCOCC2)CCO3)cc(C(F)(F)F)c1 1782034695 ZZTTYMWRYSBGDB-TZIWHRDSSA-N 482.459 0.671 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c(O)n1 1782954210 CCHFFOMSUUSRAL-AVRDEDQJSA-N 463.556 0.927 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1783197298 VPYTZHQMLQJIAR-OAQYLSRUSA-N 496.536 0.883 30 20 JCED CC(C)(C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ncc(Br)cn1 1783557493 HUOUUDRULDBBKJ-LJQANCHMSA-N 465.304 0.435 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)CCO2 1783562785 HSHYDOURFGWXNE-SFHVURJKSA-N 466.244 0.889 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1784373708 VJAIEFQNKCURRJ-ZJSXRUAMSA-N 482.516 0.540 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c1 1785076259 VTRFRJPZUCIEOF-FOIQADDNSA-N 450.432 0.482 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccnn3CCOC)CCO2)C1 1785574227 CAUSTZCSHIDOJJ-MHECFPHRSA-N 489.573 0.890 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1785717436 BMXJLDWTPCZDNE-HMLKYZKVSA-N 471.510 0.540 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790176559 YESVYKHBFDOXJZ-DNCCFGNJSA-N 456.540 0.610 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1 1790268847 AYPBHRPXAKFMAP-UHMOLFJZSA-N 462.572 0.788 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(S(C)(=O)=O)ccc3F)[C@H]2C1 1790311250 YNHXBPNAKJNHHD-WZKGKYDRSA-N 493.557 0.681 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cncn3)[C@H]2C1 1791618818 KXTZSRVEHPCCCQ-VMXHOPILSA-N 474.562 0.735 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C[C@@H]21 1792258400 CJVQGFAHXNQDKH-SPOLIRPYSA-N 474.562 0.735 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1792258823 QZTLLSVMBOYLQD-ADHGMGHFSA-N 462.547 0.019 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2 1792484860 YKVNPWHDCTXJLG-POKMRBBBSA-N 450.536 0.348 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)c1ccc(C)cc1)C2 1793356109 WTYGWDQFBCGCTE-UGNRZPKXSA-N 450.557 0.949 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cncnc1 1794168602 SGWUSYRKQOEVET-AJYBTWMASA-N 457.531 0.525 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)c(O)n1 1794490818 OLJNMENFQOAFMS-WTLGNFPFSA-N 463.556 0.686 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)[C@@H](O)C1 1797309542 DNBAVBVGZNIKKL-KMWNMMNJSA-N 450.536 0.498 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1799364937 HNWGMENAIWSYKT-KYHPRHEASA-N 450.536 0.546 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C 1799396017 NGVQKLMMILLDPR-NRUGXNMXSA-N 498.577 0.833 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)N2CCOCC2)C3)ccc1Br 1799710337 SFCKAJMHFYIAHQ-WQDJSCAQSA-N 493.358 0.175 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(n2ccnc2)CCN(C(=O)OC(C)(C)C)C1 1800330912 YFFYFCJWVSNHNT-PDPLOHQNSA-N 457.531 0.442 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1F)C2 1800981595 OEKZEGDPQLIMKK-COZGXFGHSA-N 498.552 0.740 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801992749 UDMCVGZHWQUNRZ-NYUBLWNDSA-N 488.541 0.412 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)cc1 1804086748 AOWADEBUWWPRAH-AUSIDOKSSA-N 460.494 0.754 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1823479274 XMRIRFICSGNLRO-RDTXWAMCSA-N 491.501 0.946 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCO1)CCN2C(=O)OCc1ccccc1 1829027887 PPURVQMVBZEXNR-NTKDMRAZSA-N 469.494 0.706 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCN2C(=O)OCc1ccccc1 1829124292 NZSKXBJWMBTPCO-HOYKHHGWSA-N 469.542 0.779 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334774 NKAITALYWFVDIU-XDHUDOTRSA-N 484.509 0.051 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1829466934 UIVTYVRIKHARJM-NLFFAJNJSA-N 466.538 0.988 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1829762963 VDNOOJTWBVIUGY-YIPDWCHPSA-N 492.573 0.311 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c(C(F)(F)F)n1 1829949978 LISWXFMTFAFNTO-LHSJRXKWSA-N 495.458 0.568 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1 1831218740 DNPUQOCDTJTCCD-JOCHJYFZSA-N 464.515 0.713 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1831388482 YWXZJAKJHWZQNU-FDDCHVKYSA-N 453.499 0.376 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1831391417 AWUBLHJFJWMYSN-HOYKHHGWSA-N 468.510 0.111 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)C2)C1 1831402783 RGXMIIXSKUAFJI-IEGUWTFLSA-N 499.630 0.737 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833400290 QQJQREZKBYXSII-AVRDEDQJSA-N 481.571 0.128 30 20 JCED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833712934 JMUNZGGMFSWYSB-FQEVSTJZSA-N 474.693 0.243 30 20 JCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1834528442 MOUWCDAGBVJHEP-WWCXEQRYSA-N 463.491 0.084 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1834945295 YSCZRXXDEBJHAE-PXDATVDWSA-N 488.585 0.876 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1835127094 LCNNNLOMEOXWLA-NXMSCROESA-N 494.589 0.581 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349327 CUOOTMLQIUZVRQ-MWTRTKDXSA-N 494.545 0.203 30 20 JCED C[C@@H](Nc1nccs1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674397 JIONMKKQFKUJLJ-IERDGZPVSA-N 464.592 0.682 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)cc1 1836121687 MWNRUNBTBYZMLD-DEOSSOPVSA-N 466.494 0.580 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c(C(F)(F)F)n1 1836321792 JPNVFSADTNBKGM-GOSISDBHSA-N 465.392 0.474 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380717 CJCMXFJWEPAAMD-VGOFRKELSA-N 496.586 0.497 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1836770139 STRNMEIILGODFN-NGXZDTIWSA-N 493.601 0.864 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1837396496 IDLKRJWDFVGSLZ-CLOONOSVSA-N 484.553 0.646 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nc1 1837561439 LNCUWJHCGKLZFU-HPTBBYBNSA-N 455.515 0.930 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837655731 AOIWFQZXJOREAX-WZONZLPQSA-N 462.547 0.334 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837689393 WPOUOAUJUXFZPX-MBSDFSHPSA-N 461.515 0.375 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598559 QEWGSUHYMUMQCK-QRQCRPRQSA-N 477.949 0.989 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)cc1 1838952948 NDYXPMMJJVBRGI-QHCPKHFHSA-N 451.483 0.921 30 20 JCED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)cccc1=O 1839362374 NUGYWCSHAHAHCJ-DEOSSOPVSA-N 450.495 0.835 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839384767 QIODOLXCGOKEKX-OXJNMPFZSA-N 459.565 0.205 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)ccc1Br 1839400859 DINGRNNICDDFQX-DYESRHJHSA-N 491.342 0.669 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1839453630 ULCJTRBEQCWNRZ-KNQAVFIVSA-N 461.540 0.514 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839518083 KJIDEKSZYGMGJD-PBPYGMEZSA-N 477.518 0.265 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C2)C1 1839808149 TYQNQUSOCMIAFO-KKSFZXQISA-N 455.577 0.722 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)[C@@H]4C)C2)C1 1839810109 DKNZTPGEXLGYLP-OSPHWJPCSA-N 487.557 0.898 30 20 JCED NC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C2)C1 1840921415 WWTMXCSXFYRWML-AREMUKBSSA-N 476.533 0.825 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)CC(N)=O)C2 1846365726 RQURXLZFDJNTPG-CVEARBPZSA-N 495.577 0.507 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)C2 1847805822 PZHPPBFGWWHBGQ-YSJGOQGASA-N 488.585 0.600 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CN)Cc1ccc(C#N)cc1 1848092351 YNKODKMNYINFKS-ANULTFPQSA-N 484.601 0.872 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 26611256 GIKCJOUFCCVAHE-UHFFFAOYSA-N 495.583 0.707 30 20 JCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)c1 511916382 BICURIPASFXKFF-UHFFFAOYSA-N 468.538 0.939 30 20 JCED Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 517785704 VRLZXAKVFKSRBL-UHFFFAOYSA-N 490.563 0.742 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 518067422 ZQZNTFIYYSGKQB-HNNXBMFYSA-N 472.589 0.219 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119287 JPCVMWFGDHSICE-UHFFFAOYSA-N 461.565 0.155 30 20 JCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)c2)CC1 609340570 DDANVRNPCNFHNQ-UHFFFAOYSA-N 462.576 0.055 30 20 JCED CCOCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726404539 ZFRNSBHRZYUPCR-QQMHEVNUSA-N 454.574 0.839 30 20 JCED CCS(=O)(=O)N(C)CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1 726888471 MSSHUWBADCVTQS-CQSZACIVSA-N 457.578 0.829 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3cnn(C)c3)c2=O)cn1 726962942 WSHBNUCDJSFFOT-UHFFFAOYSA-N 450.524 0.598 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(I)cc2C)CC1 728573855 YDNVDEBOYZKGAJ-UHFFFAOYSA-N 454.312 0.905 30 20 JCED C=CCn1nnn(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1=S 731354143 JOYDPAFBDSBYGH-UHFFFAOYSA-N 451.534 0.290 30 20 JCED C#CCN1C(=O)C(=NNC(=S)NCCN2CCOCC2)c2cc(Br)ccc21 747043067 ZSOIRWLIXFTZED-UHFFFAOYSA-N 450.362 0.929 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 913243054 PNASEOAQXRQNLK-HOCLYGCPSA-N 471.557 0.194 30 20 JCED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918279856 LOJBTUDIIFIRSC-QJOMJCCJSA-N 487.604 0.274 30 20 JCED Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)n21 918818085 WNZOKAGNARGZNP-UHFFFAOYSA-N 466.479 0.783 30 20 JCED Cn1c(O)nc2cc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 920698476 INYXBQSZVHZGDK-UHFFFAOYSA-N 483.506 0.840 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](CNS(=O)(=O)C4CC4)C3)CC2)o1 1194882079 GLLPLMLVJCJGLY-MRXNPFEDSA-N 450.565 0.297 30 20 JCED CC(C)NC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1288247969 KFOBDTMRUJZHGM-INIZCTEOSA-N 456.576 0.971 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1=O 1301888800 PMDMYWJPUGUHAY-QGZVFWFLSA-N 458.544 0.546 30 20 JCED COCCN1C[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1=O 1316117642 NVGCYGSPSNVUKZ-ZBFHGGJFSA-N 453.569 0.123 30 20 JCED CC[C@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1613424837 ZZGSIWUAJNQYQI-ZOBUZTSGSA-N 466.612 0.370 30 20 JCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1624572943 JIIYGIVCAYORCN-SFHVURJKSA-N 453.540 0.369 30 20 JCED CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)ccn1 1638166810 YAPYKMIZPFGSEL-OAHLLOKOSA-N 457.512 0.550 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1=O 1698087941 KVKRFKGWFOJTBB-UHFFFAOYSA-N 465.436 0.790 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1706656703 XIRIZZSJRLALQO-KRWDZBQOSA-N 466.589 0.768 30 20 JCED CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1729066811 MFBAXPZBQUHNRV-NRFANRHFSA-N 478.550 0.702 30 20 JCED N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(=O)(=O)c2ccccc2)C1 1731178208 JGGACEYVEBMXMV-HXUWFJFHSA-N 461.523 0.935 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCCCCC1=O 1741940537 KURJRGYXJUVHFR-HKUYNNGSSA-N 492.650 0.858 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1764994336 VZDYXJNZAGEJDB-FQEVSTJZSA-N 450.547 0.696 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1778789108 RJMFTVDAGHIDNK-UZLBHIALSA-N 450.879 0.720 30 20 JCED O=C1CCc2ccc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)nc2N1 1779017388 ONRWGAPCBCHNHH-RZZUAFPKSA-N 454.531 0.882 30 20 JCED CS(=O)(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779428138 IYCNYYWMZUQMRB-REXCAIMQSA-N 459.565 0.464 30 20 JCED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1)C(F)(F)F 1780938106 KJIDCQIAWXZAAB-GOSISDBHSA-N 458.462 0.840 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781055566 WJNQXPYJZZHHAV-UMEGOILYSA-N 457.571 0.916 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1781148649 HMOGSHTZQFWMFF-UQBPGWFLSA-N 490.601 0.991 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC)NC(N)=O)CCO2)C1 1781165088 DPROVSHKYQZFAU-XFAGBWLFSA-N 493.605 0.960 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)ccc1F 1781295274 LHEMGMWSJIWHHC-OAQYLSRUSA-N 456.434 0.875 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1782206765 MVDLEDDIZJMRBY-RWKZSIEGSA-N 469.535 0.645 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cc2C1 1782560524 JZYGCVJORFBKAF-UUVZMSSXSA-N 454.531 0.874 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783836528 WPLZEXYGQFMMFC-MBSDFSHPSA-N 499.630 0.948 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)CC)[C@H]2C1 1784446611 XPDDMWFKKUEFSY-FJIDUMEYSA-N 487.619 0.870 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1785624110 RYAURWOOTNORQJ-QMHKHESXSA-N 494.593 0.708 30 20 JCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]cc4I)C[C@@H]32)CC1 1786696147 LTZHJKLMDKXDAX-GVXVVHGQSA-N 469.283 0.911 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=N)N)[C@H]3C2)ccc1Br 1786808255 JIPPPYOPXOASFX-NOLJZWGESA-N 463.336 0.397 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cnc(O)nc5O)[C@H]4C3)c2c1 1787430751 QQFVTUFKCSCQDU-NUTKFTJISA-N 463.454 0.543 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1788659839 VOPKURVOPVVASY-FOYLYBJLSA-N 452.508 0.337 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)N4CCOCC4)C[C@@H]32)c1 1791987157 OZVWLPTTYXVWIJ-BQSWGBOTSA-N 456.543 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(C(=O)OCC)ncn3c1)C2 1792488871 ZEMJDKTVVXMRHS-SWFHQTGMSA-N 495.536 0.573 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1c[nH]c2ncc(Br)cc12 1792529326 KMBPBAOELMORIF-DBWKPXFBSA-N 475.299 0.546 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792837521 ZSWLBDXMUCTXDC-NNTZPNAXSA-N 483.956 0.752 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)c1ccccc1F)C2 1793344574 CYLIWEIXEIDZCT-KFMVCVINSA-N 459.518 0.805 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1793355792 RBGQEDKJJVVMKP-RMRDIRSESA-N 451.545 0.421 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1793380122 MVYCUFIXARCUKN-XIUQWWLSSA-N 450.561 0.537 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C2 1793600161 WTHWUYVXTZXOIT-FWEDZOCSSA-N 452.552 0.570 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@H]1CCc2nc(O)nc(O)c2C1 1794112642 HOJUBOYVEAYGNJ-OPOADAIRSA-N 484.553 0.281 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOC 1795350973 KAMWKFNOAXIKLD-SFNKJDCFSA-N 498.577 0.418 30 20 JCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)N2CCOCC2)C3)c(C(F)(F)F)n1 1796459040 NIXLBSVZLYNOFQ-IGMJJTELSA-N 467.448 0.874 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NO[C@H](c2ccccc2)C1 1797173218 BIGYHGYKJJUALX-ICVKDSPJSA-N 452.511 0.952 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCN(C)CC2)cc1C#N 1797239258 QEVVDLCZLWQKEG-RUMRUAAYSA-N 469.586 0.796 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1797741215 PQORUDRNKXUBPF-RCYRTTBSSA-N 473.486 0.998 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]([C@@H](C)OC)N(C)C(=O)OC(C)(C)C 1799169920 NPAGESFHYSQLJG-CPPNMTBBSA-N 481.590 0.885 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2 1799301783 KALLGLHJSIPIKH-CUSZFKRNSA-N 453.536 0.999 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2)NC(=O)OC(C)(C)C 1801930154 WOHAMGLJVKXJIZ-AXVVYFOYSA-N 487.619 0.870 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)[C@H]2OCC[C@H]21 1801993157 IGCXZBVJWYGUFK-JLEGEJIRSA-N 461.515 0.737 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1802129096 YZHVNMUQLZCNBT-YMQHIKHWSA-N 491.633 0.129 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1804373211 MBYPIQWUBQMXCL-JKJDWNRSSA-N 461.519 0.139 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CN(CCO)CCO)[nH]n3)c2c1 1821383022 LUUKJNWXWDFCHN-LJQANCHMSA-N 480.529 0.750 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC4)c2c1 1823889468 YAGMJHUKZSFWDR-YPMHNXCESA-N 466.527 0.710 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)COc3ccc(O)nn3)sc2C1 1824554065 RDYJFJDLEMQXSC-FJOGCWAESA-N 458.500 0.488 30 20 JCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(N4C(=O)C=CC4=O)cc3)sc2C1 1827873461 CPFMJHGCPMKUQQ-ZDUSSCGKSA-N 464.459 0.886 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828632947 UUCJRHTZQVHOFS-HOYKHHGWSA-N 496.524 0.340 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCN2C(=O)OCc2ccccc2)C1 1829232789 WSMHMOFDCDPLIU-VGOFRKELSA-N 465.572 0.766 30 20 JCED Nc1nc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)cs1 1829332166 AQLBSDGOMHUZQV-QHCPKHFHSA-N 497.533 0.879 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCN2C(=O)OCc1ccccc1 1829384754 MCRHIUAKCHPFTM-VWLOTQADSA-N 493.520 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1829764779 VDEQEKZUNJNXHO-XSAUMEDDSA-N 462.478 0.158 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)c1 1830458413 BWDVPSNVTGTIRS-RUZDIDTESA-N 464.522 0.809 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1830531580 QQIHZVQNJDXIHO-HYFFOGBASA-N 455.552 0.683 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3OC)C2)C1 1831386337 QWTGMTWXJUAFCL-VFNWGFHPSA-N 451.907 0.852 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)c4ccccc4OC)C3)C2)C1 1831386932 BYVWETBUYQERBW-SIBVEZHUSA-N 499.564 0.262 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)C2)C1 1831387965 NWUVDDZSUWGHEK-YZZKKUAISA-N 467.563 0.642 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1831398558 HAGKNIMSUONLGX-QMHKHESXSA-N 454.483 0.444 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](Cc1cccnc1)NC(=O)OC(C)(C)C)CCO2 1833105347 DEGONTMPOOOVPE-NLFFAJNJSA-N 486.569 0.997 30 20 JCED CC(=O)N(C)CCC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833670558 YGFMXISFTCFYOV-WDRHXJDGSA-N 465.595 0.955 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834572164 QOHWBQMKICKKEM-IBGZPJMESA-N 498.646 0.519 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CC2)CC1 1834706709 CKDVHXXYDIWXJD-GHTZIAJQSA-N 493.649 0.838 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1835715786 PBJLKNHQWJMTIX-SFHVURJKSA-N 455.563 0.883 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1835748140 MCANXWNZIWODHO-IBGZPJMESA-N 458.603 0.783 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1835844470 VQYDNBXJXVPSMF-JXFKEZNVSA-N 453.584 0.510 30 20 JCED Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CCO3)n1 1836321978 SXJRDIICOCUFGE-FQEVSTJZSA-N 494.430 0.976 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)c1 1836676052 UCTZXVMAJLTEKM-DEOSSOPVSA-N 455.559 0.184 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1837394473 BHVVQCUTCUNNPI-PGRDOPGGSA-N 481.571 0.128 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837397616 YFVNIXRKIBDGFH-DNRQZRRGSA-N 457.571 0.730 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1837443715 PDKYPEWAAVPRCQ-LPHATQMZSA-N 472.542 1.000 30 20 JCED O=C(NCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccco1 1837489296 COIIQCDUNDMJSZ-DEOSSOPVSA-N 473.526 0.164 30 20 JCED Cn1cc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837489926 ZQXZIOLUNBOLTH-DEOSSOPVSA-N 458.559 0.508 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2)c1ccccc1 1837518417 LHVQSYFSTBAUTO-FBILRYNDSA-N 485.581 0.291 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1837524661 DVMQXWFJRSFJQE-WWCXEQRYSA-N 450.467 0.820 30 20 JCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563751 YUPYSRQSSWCLOT-JJDHCWFKSA-N 466.498 0.820 30 20 JCED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1837990109 HBUWBIWRAKUDAU-GFCCVEGCSA-N 456.590 0.769 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838498979 KGFRRDDNOBVRTI-RXVVDRJESA-N 461.544 0.114 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnsn4)C3)C2)c(C#N)c1 1839131619 OEJVYKIJQNVXET-NRFANRHFSA-N 457.512 0.731 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)c(C#N)c1 1839131931 IPXKYUMLEPNLHZ-JOCHJYFZSA-N 475.571 0.583 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c(C#N)c1 1839132182 XOGLDWGUUXTTJY-QHCPKHFHSA-N 453.499 0.462 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO3)C2)C1 1839209977 ZVLRJQSICFQSMY-JPYJTQIMSA-N 467.563 0.685 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1839225836 VWHOIRMRTFQLET-OSPHWJPCSA-N 485.541 0.804 30 20 JCED CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839643481 PAYWQXUJODUOMU-HJPURHCSSA-N 454.531 0.845 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1839739018 NSSPQDFMRGEOSA-DFBJGRDBSA-N 486.569 0.882 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839759315 MGSMRVGLYSHWMU-IERDGZPVSA-N 453.511 0.862 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839988006 QKBBVMHEZJJJHV-PBPYGMEZSA-N 484.550 0.497 30 20 JCED Cc1nc(Br)sc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042819 PICIWCJNUQYPKP-KRWDZBQOSA-N 472.317 0.372 30 20 JCED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840199507 CHCXZXQHCHNNGZ-DENIHFKCSA-N 465.547 0.810 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840370339 UTKQHKREDFPKIE-RDGATRHJSA-N 494.552 0.028 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCc5cnccn5)CCO4)C3)c2c1 1840458816 BFEGUTWLPFLBHU-DEOSSOPVSA-N 475.509 0.927 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)cc1C#N 1840480809 SRLMZRLYIFELMM-GAJHUEQPSA-N 483.529 0.663 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1)NC(=O)OC(C)(C)C 1840795814 DMNMKRFUMLAGPN-HXOBKFHXSA-N 492.577 0.745 30 20 JCED Cc1cnn(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c1 1840819376 HGQYJWPNVOUOQF-QHCPKHFHSA-N 453.499 0.599 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)N1CCN(C)CC1 1840820168 BZEQUCZWXCWQCD-NLFFAJNJSA-N 485.585 0.029 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])CCO2 1840897448 DLTIGCRSBWYCCL-QJTOUBETSA-N 484.509 0.923 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1841024049 LNROCHPWPZVXPQ-OPDSQHBBSA-N 476.574 0.666 30 20 JCED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283772 PMTWOULRNNLZAW-UHFFFAOYSA-N 466.575 0.585 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844298649 CRZJHXBKFSSHQD-AFNVYEKJSA-N 468.551 0.995 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)c3nccnc3C(N)=O)C2)CC1 1844596416 SHGOZHAUJGGFMU-UHFFFAOYSA-N 497.556 0.933 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1)C2 1846196213 ABOYFCCGXDPLKE-SFHVURJKSA-N 483.477 0.580 30 20 JCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 514454377 CTDWGSFDWZNOLD-UHFFFAOYSA-N 495.650 0.061 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3OC)c(=O)n2-c2cnn(CC)c2)CC1 522384968 CTGJNKPWPNMYQU-UHFFFAOYSA-N 492.605 0.791 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)s2)c1=O 523089497 HVQKUMZRVGUBJG-UHFFFAOYSA-N 476.624 0.268 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)s1 603796354 OQCGGQGCPDGABO-UHFFFAOYSA-N 460.625 0.887 30 20 JCED COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc1C 608910736 HEMXZCWLMMHODL-UHFFFAOYSA-N 485.562 0.682 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O 608910873 UMSUSDONLAITOS-UHFFFAOYSA-N 452.536 0.498 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726575912 PYJVKEHANYBZKP-UHFFFAOYSA-N 496.552 0.965 30 20 JCED CC(=O)N1CCN(C(=O)CCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 730783907 XEPRZHUXFTVANB-UHFFFAOYSA-N 477.587 0.483 30 20 JCED Cn1c(CCC(=O)[C@@H](C#N)C(=O)NC2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 916926933 HBLALCOGBAXUIH-MRXNPFEDSA-N 459.528 0.514 30 20 JCED C=CCn1c(S)nc2cc(C(=O)N(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2c1=O 917134774 VNBROEZUOLTQMO-CYBMUJFWSA-N 450.542 0.247 30 20 JCED Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 918273819 FTTDXDRDVNMBDN-UHFFFAOYSA-N 490.563 0.742 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)c1 918300137 ZLGOVIDWELDQHH-PTGBLXJZSA-N 461.544 0.519 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1314011434 SQQAHYFFKGHTGE-KRWDZBQOSA-N 461.548 0.335 30 20 JCED COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)cc1 1518335518 LUMHNRFHGUHSPJ-SFHVURJKSA-N 464.548 0.922 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)CC1 1589295877 LQEAVPSHFYGNDJ-CYBMUJFWSA-N 451.391 0.565 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1593808144 PENMBNYTVQZBMU-GFCCVEGCSA-N 455.006 0.501 30 20 JCED CC(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1607001982 IBRQMPDWZSAKDV-QZTJIDSGSA-N 451.597 0.834 30 20 JCED CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1610091497 OZNSMURXQMVEOX-DNVCBOLYSA-N 453.569 0.266 30 20 JCED N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1620348284 QTPNWHLXAXRSRY-OALUTQOASA-N 453.471 0.988 30 20 JCED C[C@@H](CC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1622583922 USKADGJEEDKZST-ZDUSSCGKSA-N 454.574 0.577 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC(O)CC1 1711049824 YUPFWGDXLZWLPO-UHFFFAOYSA-N 467.574 0.959 30 20 JCED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 1711275497 LAZUDSMPMLUMHP-FDDCHVKYSA-N 453.547 0.887 30 20 JCED COCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1712317479 IUGBLEALPFWJSF-JTSKRJEESA-N 491.618 0.874 30 20 JCED N#Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1712879485 BUPNCLWQXUBSHC-FQEVSTJZSA-N 466.514 0.753 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722483995 GQGXWPIMAYCJAB-CQSZACIVSA-N 496.453 0.854 30 20 JCED CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1727423541 QDBXBSXKBNUWOL-LAUBAEHRSA-N 461.544 0.698 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1729370048 VQXCJFGCGDJEAB-AWEZNQCLSA-N 468.486 0.733 30 20 JCED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1=O 1730777088 VTUREUMTEZFWGX-CTNGQTDRSA-N 481.557 0.653 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1nc2ncccn2n1 1778587184 SWZXXQGXGGVBNI-KUWARCLVSA-N 471.518 0.781 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1778970589 CMOZMRZKQRIQPU-UZUQRXQVSA-N 471.514 0.695 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)[C@@H](O)C1 1779018874 IIWOSXIPCBLHPL-TUILBKRCSA-N 493.605 0.516 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780200576 DQASLHKTYZNWLE-GAJHUEQPSA-N 471.514 0.695 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781296501 YMSPCVWFEQEZGI-VFNWGFHPSA-N 466.535 0.398 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)[C@@H]1SC(=N)NC1=O 1782195447 ARVCCPGQLQPABX-KRYGIPSASA-N 481.538 0.681 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCNC(=O)COc1ccc3scnc3c1)CCO2 1783055106 NQGKIHUDEOOONM-JOCHJYFZSA-N 456.524 0.645 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1783173177 LNPSLLNSZUZMKI-CWTRNNRKSA-N 453.421 0.940 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1)C(C)(C)S 1783781366 GZWCDHQKCWFPPG-GZWGPKMKSA-N 484.619 0.554 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784004457 DTTBJIYOSTWOBW-YWCATRMKSA-N 492.573 0.047 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1784785661 LBWUKHLLMWGNPD-NXOAAHMSSA-N 452.552 0.524 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nnc4ccccc43)[C@H]2C1 1784894635 GPYZKJAZOPVZKM-ZWOKBUDYSA-N 453.547 0.693 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1785304986 QJLRJUWGEINETO-JXQFQVJHSA-N 496.605 0.827 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1785594662 XHWXBLPZCQELHA-JFOHNERASA-N 462.547 0.564 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3C)[C@H]2C1 1785872877 AGPJTMXJXVCFEY-GNBUJSLZSA-N 486.569 0.895 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1 1786893791 NHIQDNHTTAMKQY-AVEIZBFRSA-N 482.578 0.498 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1789892155 KVHVGERAIIFJRI-IUVQAAGXSA-N 469.535 0.319 30 20 JCED COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789957120 HBCIQMZGEFSQAM-MUGJNUQGSA-N 457.568 0.837 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1)[C@H]1SC(=N)NC1=O 1790326945 AQXUBAAWLPEZNS-HGRLBMEDSA-N 495.565 0.830 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnc4cc(Br)ccc4c3=O)C[C@@H]21 1790789895 PUAIAWYXLVQBMR-OWQGQXMQSA-N 473.327 0.772 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791266422 XGTVFCUBCZVFCN-QXKUPLGCSA-N 473.592 0.741 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1792793117 RCKSQIGECBDIAB-HEUQOFIXSA-N 496.630 0.932 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)n(-c3cccc(=O)n3CC)n1)C2 1793342552 KAWXLWOHWFHRRO-CROMWVBPSA-N 481.553 0.604 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)cc2)C3)c1 1794321168 LYBCBCPMKHHFEV-OPVJXMOQSA-N 454.508 0.874 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(OC)nn2C)c(C#N)c1 1794344971 UFNXJYWKHYKFJA-FAQVEIGNSA-N 453.499 0.755 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794427310 DIGQYGJSGOYTSH-AFIMGQEJSA-N 452.533 0.489 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1CNc2ccccc2O1 1797674509 SEASWPIBXBXSLX-KOSTXOEESA-N 454.527 0.698 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1797709837 DLPKBFMPGWHUIE-OIGVQNGMSA-N 488.585 0.785 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(OC2CCOCC2)n1 1798373132 GBALGFNWJCWTRX-QSNWEANLSA-N 457.527 0.881 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1798411387 RIUXHYIFOMJVKJ-YVWYUNDQSA-N 471.539 0.444 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)OCC(F)(F)C1 1799144513 KPAKZGATMAHLAO-JYYAWHABSA-N 472.489 0.761 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCNC(=O)OC(C)(C)C 1799255402 URQXDRKLWFFANW-BMFAXAFESA-N 453.536 0.156 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1799332179 VXHLPRZVVLQSSJ-QKYBYQKWSA-N 486.569 0.959 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800801499 KGMOSKHVVQIOGI-OREBXVKISA-N 497.589 0.606 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 1800989146 DGWHHVPOPPWZIY-QCSOTBIMSA-N 496.630 0.268 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1ccnn1 1801398072 VQRMLFLMPVKLDC-SFNKJDCFSA-N 460.535 0.174 30 20 JCED CS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)nc1 1805056072 UJAXANZDKFVKEN-QRWLVFNGSA-N 456.480 0.288 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1807945226 CEMFVNQAPSRNBE-KSSFIOAISA-N 458.442 0.041 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)c1 1811406027 BTJBENQPCBVCBY-SCWSEQNSSA-N 476.493 0.880 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)[C@H]2c2cccnc2)c1 1811539838 YFJCNBDVKXWWOX-UZLBHIALSA-N 458.482 0.855 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nc1 1812875764 ZOBYLQQIJOPEHG-QRWLVFNGSA-N 456.480 0.288 30 20 JCED COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CN(C)C(=O)C(=O)O)sc3C2)c(C#N)c1 1824673888 RXJSLDRPSLSQGE-CQSZACIVSA-N 485.522 0.721 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1828029313 BFDXEJXJPQNLJI-KBPBESRZSA-N 456.528 0.599 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ncccn1)CCN2C(=O)OCc1ccccc1 1828641456 PZYJELDWLMRGDZ-RUZDIDTESA-N 491.504 0.559 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829231669 FJOFCXHZZBBZJK-UZUQRXQVSA-N 476.530 0.550 30 20 JCED CC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC#N)C2)C1 1829301759 WJOPODZCJOCTSB-QHCPKHFHSA-N 455.515 0.878 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1ccnc1 1829330170 ARFYUMCSJPFGQK-DFBJGRDBSA-N 493.520 0.984 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1829763012 YCDOYMLAQLSPLK-HAAQQRBASA-N 484.553 0.073 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1829845665 FWSVANJTDUIXTQ-ZJSXRUAMSA-N 456.543 0.862 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829896671 VUGWEXZZBIDGOC-CJFMBICVSA-N 492.617 0.701 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)N1CCN(C)CC1 1830468750 WSJFGCFNTCLCLM-NBGIEHNGSA-N 489.016 0.784 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1830571723 SLMZSBRROPXWMT-CJFMBICVSA-N 487.553 0.380 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)C1 1831386638 HSQBHUMPOBCERH-KGYLXKDPSA-N 450.532 0.461 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC4CCOCC4)n3)C2)C1 1831396298 IZHCXKBRBQWFQU-KBMIEXCESA-N 487.553 0.748 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)c1 1831726959 GDEWSSJOXGMBLL-QHCPKHFHSA-N 451.483 0.757 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(F)cc3F)CCO2)C1 1831961431 JUTPOXSJRQEAHB-OAQYLSRUSA-N 451.474 0.712 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CC=C)NC(=O)OC(C)(C)C)CCO2)C1 1831998727 RUCLENYPDZVJRO-IMWIBFENSA-N 479.574 0.951 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)CCO2 1832004065 LUDZJJQIIOOSBN-RAZUEPIFSA-N 499.605 0.962 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1832448555 YFGWGBHVVNAVTL-UTSGNWPNSA-N 491.610 0.541 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)CC2)CC1 1833468035 JRGGGJIKDQVTKM-LJQANCHMSA-N 481.597 0.950 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1833470992 KXTVKDONOZCTKQ-GOSISDBHSA-N 472.652 0.869 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCNC(=O)c3ccc[nH]3)CC2)CC1 1833797815 DFCLNILLFSDSAJ-GOSISDBHSA-N 457.575 0.745 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCC(N3CCC(NC(=O)C4(C#N)CC4)CC3)CC2)CC1 1834600167 CKCVIVUSACUCPY-UHFFFAOYSA-N 465.620 0.533 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CC[C@@H](N)C(N)=O)CC3)CC2)cc1 1834732485 RAIOJZIWZCMDNT-OAQYLSRUSA-N 454.575 0.265 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834766125 YQOKXYQGHSULQT-OPAMFIHVSA-N 482.534 0.203 30 20 JCED C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1835531112 OFBUWCFYVRQNPF-XOBRGWDASA-N 465.348 0.986 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835768324 YXWFTGKDJFGUNC-IAXJDVGUSA-N 451.568 0.612 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1836215923 RNNOKOGNADPCID-PNLZDCPESA-N 466.535 0.117 30 20 JCED C=CCCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)c(O)n1 1836358754 PWPVDUSSKFKOCG-UNMCSNQZSA-N 471.602 0.814 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)nc4n[nH]cc34)CCO2)C1 1836364923 FUMCHNTWGFVWLN-LHSJRXKWSA-N 461.906 0.720 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3n[nH]cc3c1)CCO2 1836424706 YLHIDFLMQFISMK-IYZQMXKPSA-N 453.499 0.491 30 20 JCED CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCCC#C[Si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c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837440196 DWPHJGZLGJXLFE-DGEAWOGYSA-N 492.598 0.632 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1837440803 YSCHARHEVLYPKI-RGXRWQALSA-N 468.558 0.805 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837491736 WZBRSEJERUMBHY-XMMPIXPASA-N 467.526 0.498 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cs1 1837524581 JVLOPBSEZMBDAM-BIZQKNBFSA-N 466.560 0.979 30 20 JCED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n(C)n1 1837531659 SMABBTIWEQRAJE-JPHKLTHBSA-N 463.535 0.582 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837674305 XGTKOOLDVQIPKS-VGOFRKELSA-N 451.568 0.029 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837701544 QQWFMXVZAOYYQC-CMJOXMDJSA-N 466.498 0.195 30 20 JCED CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)C(=O)O 1837884380 CGEKVLPHEOGKOR-NHXGSGLFSA-N 468.551 0.577 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838737281 MUAZMVJTGXZGQF-OAQYLSRUSA-N 458.544 0.921 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)c1 1838906620 VCUBAKWZNXDXHT-QHCPKHFHSA-N 484.534 0.741 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1839185730 JPBFAGAFSCLLHJ-YADARESESA-N 480.606 0.864 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839203566 OWBVQBBZMVLUBW-ZHRRBRCNSA-N 468.551 0.268 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839222041 ACJMQAYOOGYBBL-HYFFOGBASA-N 486.566 0.129 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1)N1CCN(C)CC1 1839424640 UMAHHPQYRFNRMY-HOYKHHGWSA-N 490.004 0.918 30 20 JCED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1839715359 ADTDMNLJXZDPCQ-HSZRJFAPSA-N 455.490 0.901 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)O)CCO2)NC(=O)OC(C)(C)C 1840030022 YFQXWGLCAALOBE-JLHGSKIFSA-N 455.552 0.683 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1840171697 VGBSHLUXTDUKAD-QFIPXVFZSA-N 455.552 0.950 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2)c1ccc(O)cc1 1840233669 XUXKLFKLHIYLOC-SWYRRKHMSA-N 483.565 0.872 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cc1F 1840772518 CTOIYWGBKWFRTD-FQEVSTJZSA-N 453.492 0.603 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840796154 XMSAJSMOPCKGKN-VGOFRKELSA-N 453.536 0.891 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1840818463 DRICWJROQIBUSE-HSZRJFAPSA-N 453.499 0.749 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1840907515 XJVAAUNHLPXLAP-OHUGHZGNSA-N 492.617 0.844 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1840909328 RFMMAARRAINWSW-KKSFZXQISA-N 453.511 0.862 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1841604201 DXRMYRVXHCAKSV-IRXDYDNUSA-N 479.578 0.570 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(C)=O)C2 1844215572 UZRYYBGHAAYDTF-OAHLLOKOSA-N 452.508 0.584 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)C1 1845077834 OYHNJSNQJZSISM-FMHWZFOUSA-N 474.558 0.827 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C)nn1-c1cccc(=O)n1C 1847261519 RZPAJELRXSSHNP-VTFYZGIISA-N 464.526 0.553 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cccc(OC(F)F)c3)c2=O)cn1 523182604 TXXCGFZVSMAVRS-UHFFFAOYSA-N 489.504 0.982 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 524123723 YTAGNGKAZFULRJ-UHFFFAOYSA-N 495.479 0.642 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(OC)nc1 524235052 IDSYVORRXBLPIS-UHFFFAOYSA-N 466.519 0.577 30 20 JCED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c2ccccc2O1 604219174 WSSXLVJZBIORJI-SFHVURJKSA-N 464.482 0.612 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(C(N)=O)cc1 608828065 DEVPJMCPPQOESV-UHFFFAOYSA-N 477.502 0.935 30 20 JCED N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 608911464 GSDVKUAGLWDQRZ-UHFFFAOYSA-N 452.423 0.828 30 20 JCED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cnc2n(C)c1=O 609255218 UYUDRGDBPOXRBR-UHFFFAOYSA-N 462.466 0.512 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)C1=O 916611464 MAEKWIWTRPIHTR-OQLLNIDSSA-N 486.462 0.545 30 20 JCED COCCN1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 920787883 ZGZIMJVFLPUVOM-CLCOLTQESA-N 465.576 0.665 30 20 JCED CC(C)SCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1288429188 QDIIFZUDFGENNP-ZWKOTPCHSA-N 483.664 0.929 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCS(=O)(=O)C1 1298133028 JUAOEMJBOQZHLR-AEFFLSMTSA-N 478.600 0.722 30 20 JCED Cc1nsc(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)c1C#N 1450548121 ROIURAAOOVBURE-QGZVFWFLSA-N 458.519 0.714 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1494919298 SBHKMPXVSOXLLW-WFXMFSGNSA-N 456.569 0.137 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1502436627 YNFGWBZTTXZQGE-HSZRJFAPSA-N 485.614 0.855 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1554490500 ZVRBAHPVNRDXPL-UHFFFAOYSA-N 466.546 0.265 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 1589404928 OAEYNIVSGSRSGR-OLZOCXBDSA-N 450.359 0.745 30 20 JCED CC(=O)N1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)CC1 1596030269 CNPKHYPQHPWCAT-IBGZPJMESA-N 493.634 1.000 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)C1 1671495930 ZPEPAKVXGBZQQE-FHWLQOOXSA-N 450.584 0.841 30 20 JCED CCN1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1695843675 RRUQROKXGULULH-QZTJIDSGSA-N 451.597 0.835 30 20 JCED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c(=O)n1C 1724359695 WLGOBJGRGUBEOD-WMLDXEAASA-N 463.564 0.262 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CN4CCCC4=O)n3CCN(C)C(C)C)CC2)c1C#N 1725868308 MSTXSZUPWVKYMG-UHFFFAOYSA-N 468.610 0.981 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1729343894 UKJUNUJWWHZMCV-MRXNPFEDSA-N 452.562 0.331 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749087595 XDRFDEXXDSWFSM-LSDHHAIUSA-N 477.429 0.955 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cnc2c1 1777995503 QTFXJFZYIFOPBF-AQPAOHHBSA-N 466.542 0.918 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1778121942 RFZRYSFHPMTMRD-QHCPKHFHSA-N 463.579 0.965 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779018870 IIWOSXIPCBLHPL-HBQQFOHPSA-N 493.605 0.516 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779096558 KSFPJBOHPUFKEW-WXVUKLJWSA-N 496.605 0.326 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779099345 UHJMRGFTPMEEAM-RPVDARJOSA-N 484.550 0.231 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1779200935 RHDJWMZUISWPNN-DJYUEUSRSA-N 470.523 0.094 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)NCC)C1 1779321811 JHLRXPDFTCUHNE-GSHUGGBRSA-N 452.552 0.717 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCN(C)CC2)C3)c1 1780087688 QUEMVYWDIILMFV-RCZVLFRGSA-N 469.586 0.942 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)N2CCOCC2)C3)c1 1781103713 KTRFCJDWPPEYOR-UNWVZKJWSA-N 460.506 0.475 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781320839 PEJMLOHOQXMYRK-HTAPYJJXSA-N 455.552 0.685 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)C1 1781395667 RNVJXJCSQIHOTD-SBUREZEXSA-N 457.531 0.971 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)O)C2)C1 1783525366 WGXMUULHODAQFM-ZMPRRUGASA-N 484.550 0.003 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561704 HEEQLSPAHMKXPZ-WIEQDCTASA-N 453.467 0.252 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](Cc4cnc[nH]4)NC(C)=O)C3)C2)c(O)n1 1784369884 RZGZXIARKAFFQL-PXDATVDWSA-N 496.568 0.820 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1785624103 RYAURWOOTNORQJ-HJPURHCSSA-N 494.593 0.708 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1788652298 AVGPEQAIZCJPBV-QFCUHJEHSA-N 454.593 0.544 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)N4CCOCC4)[C@H]3C2)cc(C(F)(F)F)c1 1788657485 XHTMWQMYUJMAHW-SXTKRDDTSA-N 496.486 0.821 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1788678933 SGORAIQPVVUMOP-RKBVZRRDSA-N 461.544 0.481 30 20 JCED O=C(Cc1ccc2ncnn2c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1789715888 HWGLYGINQSPDTG-BNLGVGOFSA-N 453.547 0.723 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1791107707 CYQVSOMGEUGPRK-ADHGMGHFSA-N 450.536 0.640 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)C1 1792343618 LNIRGAXZVQUUJP-XLAORIBOSA-N 450.536 0.906 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C)c1C(F)(F)F)C2 1792484288 KVDJMERIHYHMNX-LXBXGBMDSA-N 455.437 0.501 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCNC(=O)OC(C)(C)C 1793088332 ORYBKZUOSSFHBG-HUUJSLGLSA-N 497.589 0.172 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)c3ccccc3OC)C1)C2 1793353936 IMHBEYGOLDDVPQ-UYZIEWPDSA-N 471.554 0.948 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@H]1CCc2nc(O)nc(O)c2C1 1794113549 SHUDZXQWVGGKRK-RIIDUYHKSA-N 472.546 0.054 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCNC3=O)c(Cl)c1 1794973746 YGBWYLOFHYJIJR-HBCWATKFSA-N 468.901 0.669 30 20 JCED C[C@@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1795514714 QWFRHNKNYTYJBB-FJIDUMEYSA-N 463.579 0.712 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cccc(N2CCOCC2)n1 1796618437 QWQAUKUHNCCMSF-YBWLHZQLSA-N 470.574 0.593 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1797119377 AVHBYMUJJNFSIU-WBAHDQRJSA-N 457.593 0.512 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799882545 VLFIAZMYYMOKFW-QXGSTGNESA-N 498.540 0.523 30 20 JCED O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1800282302 RYKXPFWDMCHTEZ-GBFHVWRSSA-N 457.443 0.058 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(F)F)c(O[C@@H]3CCOC3)c1)C2 1800777912 NEWOFINRBHRZQA-DXEZIKHYSA-N 494.447 0.747 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1 1800778414 USQAECDJGJXMLE-LAVAIGHBSA-N 477.558 0.947 30 20 JCED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)OC(C)(C)C)C2 1801911153 CKDPJTKPPPGJOU-YYIAUSFCSA-N 465.572 0.682 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1)C2 1801989581 DFSWUCHEAWXHCE-XNTOXWQXSA-N 483.521 0.875 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1802084470 JYOXJVOJSSIGIW-QKPAOTATSA-N 466.535 0.582 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)cc1 1802691033 XZTACABEJMHZJU-DMUMMCEESA-N 473.551 0.874 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1804417002 XHGHXFRPANPDEQ-CHBUMTKESA-N 467.486 0.751 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)ccc1F 1808560647 KUDOAYPHBHAVLR-NYDSKATKSA-N 466.517 0.934 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1810356235 AHMILBKTMLUESN-YPPTTXHPSA-N 468.514 0.873 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812443354 KBILVWYQKASVNR-AJYBTWMASA-N 498.609 0.817 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1814954337 NPNDOVYQZUKYNV-DZGCQCFKSA-N 463.491 0.766 30 20 JCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367208 SKMLQLSCASEZHX-LBPRGKRZSA-N 451.464 0.936 30 20 JCED Cc1cn(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(C#N)c[nH]4)sc3C2)c(=O)nc1O 1821608947 MQIGNCPNPDECHP-GFCCVEGCSA-N 453.484 0.840 30 20 JCED CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1)C(=O)C(=O)O 1828950136 RKGJVRBRAXWAHF-IBGZPJMESA-N 461.559 0.848 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1829260329 NZBTWMSLRXAJEQ-WZONZLPQSA-N 475.567 0.752 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1829265906 JXTWITJMHBSCRR-HSZRJFAPSA-N 452.467 0.866 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(=O)cco3)C2)C1 1829332365 IKWGNFDARSYBLP-RUZDIDTESA-N 493.472 0.794 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CNC(N)=O)CCN3C(=O)OCc3ccccc3)C2)CCC1 1829475687 HJASZQYBHVBHHN-XMMPIXPASA-N 482.541 0.801 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628287 ODRPNOXDMZIOQM-MBSDFSHPSA-N 477.583 0.628 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C3)C2)C1 1829673252 IFBQFCQWRWKTLH-KOSHJBKYSA-N 495.573 0.865 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(OC)cccc3OC)C2)C1 1829768590 BSDQLFVYCCLDCJ-XXXZYALBSA-N 473.526 0.632 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1829777362 XDJHEFDCNYEFSR-RCAXOHPUSA-N 484.553 0.120 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13COC[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1829846657 ZZILJCUSUAUMSD-NWVWQQAFSA-N 479.574 0.902 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1830468176 GKQYAEYXLUDJMX-HSZRJFAPSA-N 475.929 0.990 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)NC(=O)OC(C)(C)C 1831224220 GZDBVLRYCNMHCB-HOYKHHGWSA-N 493.557 0.313 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831392274 CYCUYWLKFFTPLB-AXHZCLLHSA-N 495.573 0.117 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1831424324 HVUCBECIQGEJQB-QMHKHESXSA-N 458.515 0.627 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1831425119 QQLSVLQCHAGLRQ-VGSWGCGISA-N 481.571 0.287 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831989922 BBZUWDVDDLWVOC-MBIGCVILSA-N 469.535 0.704 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1831998553 OHTCMXFCJVVYMD-OPAMFIHVSA-N 499.634 0.929 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1832000494 QTPWMRRNPPVYNM-ZHRRBRCNSA-N 468.551 0.178 30 20 JCED COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1832767011 BRPCFLQCTGYGQR-DGEAWOGYSA-N 459.547 0.561 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccc5sccc5c4=O)CCO3)C2)CC1 1832893251 TVUMTOJRSMEHTI-QFIPXVFZSA-N 456.524 0.823 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnn(-c5cccnc5)c4)CCO3)C2)c1 1833621135 XFFAGGVXKXPJTM-HSZRJFAPSA-N 461.482 0.851 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833969398 KUQZFYWZLSUAFU-UHFFFAOYSA-N 473.530 0.869 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cnn1C 1834426195 SDPGSQBGWAEUHM-HSZRJFAPSA-N 463.498 0.860 30 20 JCED N#Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CNC(=N)N)CC3)CC2)c(C(F)(F)F)n1 1834942453 ZMZQRZMDRHJMJR-UHFFFAOYSA-N 480.495 0.640 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835345677 UFTKCUBHZXIPOH-JOCHJYFZSA-N 452.471 0.814 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835352370 WDRBBVWGFYOTQZ-HSZRJFAPSA-N 498.577 0.304 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C1)C2 1835362881 WEBUKZOAPPCKHT-HXOBKFHXSA-N 473.530 0.382 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835382000 FUNSGGPOEJCGEQ-NLFFAJNJSA-N 492.617 0.845 30 20 JCED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486780 OXYMQYLIRZYNPL-DEOSSOPVSA-N 458.559 0.806 30 20 JCED Cc1cc(C)n(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837524771 MJHHQXGIXICOCS-FKTOORKZSA-N 463.535 0.485 30 20 JCED O=C(O)c1cnncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837945568 JUOYILQIXKPNKU-HSZRJFAPSA-N 450.451 0.297 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1838534890 IVYOTVXWNKDIGA-XMMPIXPASA-N 450.495 0.835 30 20 JCED C=CCC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1838735315 HMGUSKNISNIVAN-RBUKOAKNSA-N 478.615 0.741 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907506 WNZSXKLPHHNGGF-NZQKXSOJSA-N 473.482 0.123 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839186111 ZZYNNMWDDTVHGF-GAJHUEQPSA-N 479.530 0.390 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1839204083 GOLXVYLGKGVERC-QRWLVFNGSA-N 495.495 0.837 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839209647 ZQPZYGADVBBWSO-ZHRRBRCNSA-N 466.535 0.022 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)ccc1Br 1839400845 COEXHYNFTMOIGL-IBGZPJMESA-N 475.303 0.823 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)ccc([N+](=O)[O-])c1C)CCO2 1839427866 YAXAAXDQTPSPDM-FUMRIQNTSA-N 490.488 0.971 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c[nH]c4ncc(Br)cc34)C2)C1 1839805797 QGTUNBUTORCTRM-HXUWFJFHSA-N 461.316 0.958 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCN(CCC)CC4)cc3)C2)C1 1839809380 MBXRKVMNMIXZFW-VWLOTQADSA-N 454.571 0.922 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 1840039952 KSIZKZVQHMWKQZ-FQEVSTJZSA-N 465.846 0.335 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(F)F)cc3F)C2)C1 1840043409 WGTAXBNOIGEAKL-HXUWFJFHSA-N 456.373 0.585 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOc1ccccc1Br)CCO2 1840073317 JYEIBRQYTDQSSF-NRFANRHFSA-N 495.326 0.762 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1)c1ccc(O)cc1 1840221790 KJVBWWVTYNROEZ-JPYJTQIMSA-N 453.499 0.778 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840435638 IDVDLWVTUWWTJZ-HSZRJFAPSA-N 460.579 0.318 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)c1 1840713292 AYSDSSRWKQVWPU-HXOBKFHXSA-N 454.531 0.224 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840799349 SVTDAVUMLFQNOF-DVECYGJZSA-N 459.543 0.854 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C(=O)OCC)CCO2 1840885550 OGDDRGDIPSPCST-JOCHJYFZSA-N 454.520 0.542 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1841430133 SPXUJYUTJMCDLG-MRXNPFEDSA-N 451.568 0.747 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842874656 BJLUUBCSXHJHSD-OAHLLOKOSA-N 474.495 0.774 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1845188833 NHJLYIWCCKKQOE-IRXDYDNUSA-N 465.547 0.927 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1847099269 QPDNKFBQNGQOQM-KRWDZBQOSA-N 461.563 0.945 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 1847805575 LYCLEEJQUYKVGB-LUKYLMHMSA-N 451.520 0.683 30 20 JCED C=CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 18522013 XDTGQPKMAGSWKN-INIZCTEOSA-N 467.544 0.392 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2)CC1 30936279 YIQFEMBKQDETAJ-UHFFFAOYSA-N 482.566 0.768 30 20 JCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 501326808 QNRFWWDCESMDIH-UHFFFAOYSA-N 485.504 0.609 30 20 JCED C[C@H]1Oc2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2NC1=O 517188806 MAXWCBMSNSIMAH-CQSZACIVSA-N 483.506 0.749 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cccs3)c2=O)cn1 523179954 ROMBMLIASMOWDG-UHFFFAOYSA-N 484.607 0.128 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)Sc1nnc(S[C@@H](C)C(=O)NC(=O)NCC=C)n1C 603565511 XIPPRWXARJRYMW-QWRGUYRKSA-N 455.566 0.800 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc3c(c2)CCO3)c1=O 603994855 LLNFZWRZATXVBQ-UHFFFAOYSA-N 455.536 0.826 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(=O)N(C)C 604269763 AUPUANPDWWEKGM-UHFFFAOYSA-N 478.521 0.875 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCNC(=O)Cc2ccccc2)CC1 830962697 ZICKLKOHMJYSFO-UHFFFAOYSA-N 498.561 0.683 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(Br)cc2)c1=O 838163271 OPBWZFVYASXYGC-CYBMUJFWSA-N 480.384 0.973 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)c(C)c1 838631236 CPXQJJOTYZGHGE-UHFFFAOYSA-N 451.552 0.905 30 20 JCED CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 864236375 IRWKQLUTMJTKIT-UHFFFAOYSA-N 471.562 0.271 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc1F 914659421 RQJCEMSKXGHXSB-GXTWGEPZSA-N 462.521 0.481 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CCOC 916198172 DHNDYMVZVLYZBR-UHFFFAOYSA-N 455.458 0.841 30 20 JCED CS(=O)(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 916989679 JPLAOFDTMHRYEK-GFCCVEGCSA-N 452.445 0.685 30 20 JCED CCOCCCNC(=O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 917120075 ULZHIRDXNKKJFT-UHFFFAOYSA-N 450.561 0.897 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCCSC 917786196 GWCCZFJUQBCZJY-UHFFFAOYSA-N 463.629 0.880 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C1CCN(C)CC1 920399084 MDDWJDUXXJECIQ-UHFFFAOYSA-N 486.642 0.573 30 20 JCED CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1297792086 XXLBXZJXJVSMOY-MGBGTMOVSA-N 473.607 0.523 30 20 JCED CNS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1315072516 GJXPNJGUYQSHIO-GOSISDBHSA-N 459.576 0.891 30 20 JCED CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1552385070 ZUVZTOOKVANTFC-UHFFFAOYSA-N 492.581 0.693 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1554165196 MHMMLMCZNGLQHA-IBGZPJMESA-N 470.559 0.901 30 20 JCED CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1619503408 LNUPLYULWOACSS-NQIIRXRSSA-N 461.544 0.894 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690344141 MDWRZFHLJYFRTN-AWEZNQCLSA-N 450.931 0.739 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CCO1 1711368529 JFWWCVFNRAIEFO-FXCLAUTBSA-N 456.503 0.220 30 20 JCED CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)S(C)(=O)=O 1765222746 NHOOUTOPXZKPHX-UHFFFAOYSA-N 475.575 0.679 30 20 JCED CCN1CCN([C@@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1765507079 VEMXFBFMZZBSEZ-AZUAARDMSA-N 494.666 0.377 30 20 JCED COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1767870293 MBYURVHKIUUYQZ-UTKZUKDTSA-N 459.528 0.756 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C[C@H]1C 1771150602 WXQNGJBKFGHJFK-DVECYGJZSA-N 469.590 0.952 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)C3)C2)CCC1 1778055000 FPQVWKCQMJGGIU-QHCPKHFHSA-N 461.482 0.708 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)c4cc(C)on4)C3)C2)c1 1779123830 VKRJZFYNAMIZRM-HSZRJFAPSA-N 467.482 0.737 30 20 JCED CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@H]3CCCCO3)C2)CC1 1779423051 BWFHSGIVMHDDMJ-MEKWOCJMSA-N 465.595 0.277 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccccc4C(=O)OCCO)C3)C2)c1 1780155875 FCXBYOCOCBYLDG-QHCPKHFHSA-N 452.467 0.793 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@H]3CCC(=O)N3)C4)c2c1 1781204695 LUEUTOBSJDDROM-PMAPCBKXSA-N 450.499 0.841 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1781852473 BIAWGWVEAAYRQW-XXBNENTESA-N 458.515 0.774 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015252 CKENIARVYIJSIU-NXHTTZLHSA-N 495.529 0.045 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782057722 ZTDLFTPEZQWVSN-NZQKXSOJSA-N 457.483 0.805 30 20 JCED O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1783248198 QQCBBOLBEANCCF-KFPCXCPGSA-N 481.644 0.832 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1783475569 VJUCMNYPUQARAA-MMSOTJHASA-N 491.585 0.737 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783565959 SOEOGRHWJMHGCM-QHCPKHFHSA-N 474.514 0.445 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785170794 XUJOYUUWNWUFEX-FHWLQOOXSA-N 458.515 0.301 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1785328570 IEKSSICQQFSNTN-XXXZYALBSA-N 454.527 0.495 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1788658112 LMBSNEMNVVZGQD-ISQZCQQYSA-N 452.552 0.217 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1788679841 UJZVMWBDLGTEKT-MLXYNTPMSA-N 464.482 0.395 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1789950559 QVNIOMBHVILORH-VJANTYMQSA-N 462.609 0.371 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1 1790850411 SMSKISCGOFRDNC-QAETUUGQSA-N 452.552 0.701 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791071211 YXFMVNOYXUJLJF-LTUQMJGPSA-N 461.515 0.454 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)c1Cl 1791394989 IGHCHPLTDQDKSD-XIRDDKMYSA-N 456.886 0.730 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)[C@H]2C1 1792082880 VOXSBNYNDOKPIF-UHMOLFJZSA-N 497.639 0.619 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1792258384 BXWQMESPSNCJAP-ICUGJSFKSA-N 475.550 0.130 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccccc1C(=O)OC)C2 1792484748 MQEZMNWGMRPMOB-NFRAVTBUSA-N 469.538 0.854 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1793595097 KMUOCNAMOHHXPU-IWSXDTNSSA-N 468.551 0.108 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795454070 XLJKZJOVWUMGKK-AXVVYFOYSA-N 462.547 0.115 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@@H](N)C(N)=O)cc1C#N 1795641228 ZGQTUZOVPWZIGK-BMQTXXJKSA-N 457.531 0.141 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1797116999 FXMGXHDXCZFFBU-SFNKJDCFSA-N 450.536 0.906 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2 1799231521 ATIUSTGICQLRDI-MHORFTMASA-N 474.562 0.715 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2)C(C)C 1799385097 CIZHVZLIVKJQKE-PCCRXHMLSA-N 484.619 0.266 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)c(OC)c1O 1799663332 NUMLYWNELNPZTJ-YUBWNGLZSA-N 459.499 0.471 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O)c1ccccc1 1800260871 MSDMDRJPQXZTSB-RCLSDMTESA-N 455.511 0.316 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1800741268 TWNLRFAQBWUZBT-BBPSPNIXSA-N 461.515 0.311 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(O)C(F)(F)F)C2 1802124833 LUKDLCSOMIKBFQ-MTCCJSQRSA-N 477.480 0.806 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN(C)C1)C2 1802126905 CSRHHBBRQQDQHM-OUUBHVDSSA-N 462.591 0.834 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1804346309 MRIFMGIJLVUOBL-DJAIHLKASA-N 472.502 0.215 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C(=O)Nc2cccnc2)[C@H]1c1cccnc1 1810455708 LFMKFCQQYDCNGT-HGHFLKBRSA-N 462.510 0.980 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1811944483 NOLIDWXORAQKAJ-XUZZJYLKSA-N 465.554 0.868 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]3c3cccnc3)c2c1 1812070081 XAMFXEZZPIRQBU-CECAUBDESA-N 474.525 0.742 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812878620 KGWJFYFCMHDEHZ-LQWHRVPQSA-N 486.525 0.811 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](COC(C)=O)OC(C)=O)n[nH]1 1819428906 QSLQZZWTMQLJFO-MHEJJFAZSA-N 475.502 0.755 30 20 JCED CNC(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1 1828578909 FCRKXOJXYARFPY-AOMKIAJQSA-N 462.572 0.893 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1828584153 WZOFWEPRZZCBSK-GAJHUEQPSA-N 461.515 0.340 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(O)nc1O)CCN2C(=O)OCc1ccccc1 1829051427 ZYUOABPRDWGFNC-QHCPKHFHSA-N 465.466 0.587 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCN2C(=O)OCc1ccccc1 1829322539 PPURVQMVBZEXNR-YADARESESA-N 469.494 0.706 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(F)cc3)C2)C1 1829765064 FPNSXUIKFLDOML-YLNCNTMDSA-N 461.490 0.519 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC1)CCO2 1829881740 NLPPVXDGFFBUTL-KOSHJBKYSA-N 479.574 0.786 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1830468785 ZDCJHJGOUWCKQO-JOCHJYFZSA-N 456.886 0.957 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)C(C)C)CCO2 1830860613 OARIGGSBNYWILL-BSRJHKFKSA-N 469.579 0.929 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1831419833 QVAVFOQLJBPTHT-PNLZDCPESA-N 455.552 0.947 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2cncnc2)CCO3)ccc1F 1833125181 PMZZSTHMMWXURC-QHCPKHFHSA-N 453.474 0.729 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1833314704 ITGKIJZZRUEKDY-DEOSSOPVSA-N 479.493 0.445 30 20 JCED CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)CCC1=O 1833689299 KSKNYAXUKXSJNZ-ZHNJOBQTSA-N 476.578 0.695 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NC(C)=O)C3)C2)c(O)n1 1833695555 AZBOWUMWLFABHV-XMMPIXPASA-N 474.558 0.891 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOc1ccccc1)CCO2 1834827017 CBASODBUXWBLNT-XXXZYALBSA-N 457.527 0.770 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cc2NC1=O 1835677401 HPEXYHJUHLDKIQ-NSYGIPOTSA-N 499.568 0.758 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835769081 SBKDJGNMNKPDOO-KEBYFXCJSA-N 482.578 0.703 30 20 JCED NC(=O)c1nccnc1C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1836048915 XWQVVCUUDHLLBZ-JVWAILMASA-N 470.578 0.232 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837201930 NJZFIBAFOWYHND-NFBKMPQASA-N 474.514 0.012 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c2ccccc21 1837444106 YXTIBFROQIWOEU-OTUOEDBFSA-N 498.584 0.268 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1837446689 MOTRXKMCICNYSF-HPVHBOIKSA-N 482.585 0.681 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1837567918 YLBVQFLGBXAVSZ-WNVMFQPGSA-N 480.568 0.015 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837644960 ZHPBBKUVMCYDPL-XXBNENTESA-N 459.547 0.069 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nncn5c4)C3)C2)c(C#N)c1 1839132945 UOITXUTZGVUOMO-RUZDIDTESA-N 490.520 0.922 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)CC1 1839363382 SJFMPLJFRWQLQB-XMMPIXPASA-N 455.559 0.070 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363603 ZBZQGFNQHAJHOS-WZONZLPQSA-N 452.515 0.750 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnn6cccnc56)C4)C3)c2c1 1839488552 YOHPNVOYIPPQTH-DEOSSOPVSA-N 486.492 0.861 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)OC(=O)OCC)CCO2 1839685351 NZVIVHSCEKBOCN-KKSFZXQISA-N 456.492 0.514 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1839844187 FJCNIZLNKZAYEQ-UAKAABGRSA-N 481.590 0.883 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219441 NZAZGZFZBSWLSP-IWMITWMQSA-N 473.592 0.133 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c(Cl)c1 1840234506 YETXIZVWILJSFY-OPAMFIHVSA-N 460.918 0.808 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)N(C)C)C3)C2)cc1C#N 1840762627 GZVOTOHONTVYFS-DEOSSOPVSA-N 487.557 0.687 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)cc1C#N 1840763909 XPGGBRMTJWZOGY-XMMPIXPASA-N 497.556 0.749 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1840908872 JQSNRXFMWSPAFU-UZUQRXQVSA-N 491.545 0.294 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC=O)C2 1844215456 IFBVRVIMJVPCDS-HZPDHXFCSA-N 481.550 0.130 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)c(Cl)c1 1848074420 XHXSZWLPFWFMMF-ROUUACIJSA-N 450.948 0.757 30 20 JCED CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)C1=O 9946027 DWUITCIDTHIBIW-FQEVSTJZSA-N 479.515 0.359 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 515699201 QWDNQLBBZBNWQD-UHFFFAOYSA-N 478.552 0.668 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)c(OC)c1OC 516828047 NDKVSJZDYAAGRX-UHFFFAOYSA-N 498.605 0.984 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3cccc(OC)c3)c2=O)cn1 523180175 CRKRZYPQHSXDRS-OAHLLOKOSA-N 467.551 0.778 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cnc(N)c(Cl)c2)CC1 728628734 JUVAVADFXWMGFJ-UHFFFAOYSA-N 463.903 0.879 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 856409438 RBTKLZIFIIACTC-CQSZACIVSA-N 468.470 0.321 30 20 JCED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918304283 WHTNBOQGNNZUSW-PLRJNAJWSA-N 492.602 0.107 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)c1 918429590 LJPRONDSDWMXBV-QOMWVZHYSA-N 498.565 0.818 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3CCO)cc1 918446818 CFMPGUSZVNZQRM-IBGRPIGGSA-N 488.570 0.821 30 20 JCED C[C@@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCCCC1 918985854 AZLGNFXITOLRCB-OAHLLOKOSA-N 450.517 0.553 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1286541858 NTOQRCZZXMVBPU-CYBMUJFWSA-N 462.370 0.384 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)Nc2ccc(F)cc2)C1 1302478560 JQOZKWSZBSBABX-JXFKEZNVSA-N 495.512 0.831 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC[C@@H]1C 1360237582 JGIROABAVMLRIF-SFHVURJKSA-N 467.578 0.730 30 20 JCED CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1OC 1555786851 MPNKYFVJWJCUCQ-QRQLOZEOSA-N 460.560 0.948 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCCC2CCOCC2)C1 1698314004 UJBQQKSXGAWSKK-QZTJIDSGSA-N 468.580 0.547 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1=O 1730789276 QRZSJLCVODPVLB-GOSISDBHSA-N 472.571 0.937 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)CCS(C)(=O)=O 1740738631 JLKYTLIWNFLNLI-LLVKDONJSA-N 458.404 0.668 30 20 JCED CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1746325222 KSACJHUKSRNKPJ-IRXDYDNUSA-N 455.585 0.070 30 20 JCED CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1749996516 UYBSUPHYWSJTSV-LJQANCHMSA-N 489.602 0.973 30 20 JCED C[C@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)c1ccco1 1751245787 IZFLDKZOOYRSBY-MDASCCDHSA-N 468.511 0.554 30 20 JCED CN(CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1768893534 VCDZCUOHWXPOCE-GJZGRUSLSA-N 495.528 0.224 30 20 JCED COC1CCN(C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1770614920 SXHGZBKOKMIDLW-RDJZCZTQSA-N 469.612 0.506 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1778376450 MOIGAWJBZDZOBC-JOCHJYFZSA-N 458.519 0.991 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104184 GXTHRYKQQRDHAK-QPXPPJHCSA-N 497.593 0.587 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1779337314 RJKYWLPQWZZRMY-PDSXEYIOSA-N 469.629 0.934 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1780738440 GBDCCUFFKDYWGH-IVZQSRNASA-N 459.503 0.212 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1781270512 MZWSWHUURGOLJK-OAQYLSRUSA-N 460.512 0.709 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782006435 PVABQSPPYWVYSY-SMGXNKOPSA-N 475.542 0.988 30 20 JCED CC(C)(C)OC(=O)N[C@H](C[C@H]1CCOC1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561945 RBBQJISGMQTBMC-QZMQVMSPSA-N 479.530 0.224 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)CC)[C@H]2C1 1784372705 KGNZQQQMZMSSQE-VMXHOPILSA-N 478.590 0.797 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1784440863 XCSWGPIVBRWSKZ-GLPMAIMFSA-N 483.612 0.795 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C[C@@H]21 1784480245 SWLOEHGXYUFTRU-FKSLSLAPSA-N 466.579 0.247 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784500261 LHUGNSNVAJSCIV-ICUGJSFKSA-N 455.552 0.443 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1785577067 KIEQXONPUKSGGW-UZUQRXQVSA-N 487.513 0.535 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1)NC(=O)OC(C)(C)C 1786804324 POISZUGUHQTYJG-VMXHOPILSA-N 495.621 0.418 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1786859389 FYUGEPYWQATFOK-DEPCRRQNSA-N 459.591 0.649 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)n1 1788659363 YOMQMLCOVWAEQW-ZGKUKWLPSA-N 489.573 0.796 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1789883367 OVYXXKAHHOSKHO-VMXHOPILSA-N 464.563 0.666 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCCS4(=O)=O)[C@H]3C2)ccc1F 1790749217 LJMOYCSESBWMDN-UHMOLFJZSA-N 463.531 0.797 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145257 FNFCEAKBLSKPQI-CAIZAGQASA-N 478.571 0.245 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)OC(C)(C)C)C2 1792491350 OQNBDQUKQNZAAM-BFUOYJEKSA-N 450.536 0.349 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792635818 LUTBFHOBKFRTGH-YVSFHVDLSA-N 494.593 0.468 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792887639 UCGKHFHFINWEHU-SIRPWMCASA-N 456.540 0.263 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797740914 DCPDOJZPWODWPU-SBXLSSBRSA-N 480.610 0.290 30 20 JCED COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C 1799395987 LIBPJWRUKTWPGY-WERVVEIQSA-N 473.567 0.073 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccncc2=O)c(O)n1 1800197217 DIDYJMNRTDWSPN-VPTLXERWSA-N 453.499 0.366 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)C[C@H]2C1 1800698501 PKQBGUQJOGNJMG-BBPSPNIXSA-N 461.515 0.311 30 20 JCED CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778535 GIPFAIBIPAZCGV-YYAJDYIMSA-N 451.520 0.603 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2)C(C)(C)S 1800906151 FSKODPOTTKNZNP-ONMISFSYSA-N 498.646 0.704 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801051071 BTRCSRNKAYNYCZ-JCHKBEJOSA-N 481.590 0.521 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)(n2ccnc2)C1 1801432468 QBQRBFTUCHBAHG-AIDSWVIKSA-N 485.541 0.945 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)c2cccn2C)c(C#N)c1 1801443100 LSVREDCPSCHOTJ-OPMZPASUSA-N 450.495 0.920 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C)nc1)C2 1802124575 AWNSJSIHWWVNOM-FCGDIQPGSA-N 457.531 0.905 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1803508578 ZXHQVLBVBBXHIC-CYAOMUEDSA-N 478.619 0.887 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2c2cccnc2)c1 1804198954 RXVLQJMPGJBIED-WIYYLYMNSA-N 470.555 0.331 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@H]1c1cccnc1 1812409212 UKCTZVMENWAAGK-ADWLJLTJSA-N 494.508 0.716 30 20 JCED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1812526409 AMPRCUVZNRDEET-NLWGTHIKSA-N 485.589 0.877 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1828583520 JYFSYHRBVOGLKZ-MHECFPHRSA-N 485.541 0.145 30 20 JCED Cn1nc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1O 1828646457 PQADITQEGQPHMQ-DEOSSOPVSA-N 495.492 0.279 30 20 JCED Cc1c(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cnn1C 1828742788 JRDZYLBEDKPJMF-RUZDIDTESA-N 493.520 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)noc3CCC)C2)C1 1829766019 GJKSEIKLUSZUHL-XBKFQHLESA-N 460.531 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)C1 1829769970 AGIHOFFMSOVDGN-LNCAXPMHSA-N 493.564 0.860 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)ccc3OC)C2)C1 1829773690 QEYBWGNBOKKWHQ-KSEXMQBYSA-N 461.490 0.763 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831222758 GQLLMNZMLPNVLI-DVECYGJZSA-N 493.557 0.313 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1831426183 KKAONCLYSOCTPW-BTYIYWSLSA-N 455.458 0.905 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831438152 KUBXIYIWQCLMBI-HSZRJFAPSA-N 475.567 0.853 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)cc1 1832878032 UFTLLUPNDJIVLM-DEOSSOPVSA-N 465.510 0.776 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)[C@@H](O)C1 1834402411 MOAMJICHHQTZMV-OALUTQOASA-N 463.579 0.699 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2)c1cccs1 1834561393 APLSZZQVPGAQKB-CRTIWDKESA-N 499.549 0.197 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1835681205 UFPLLTXMDFQZOE-JOCHJYFZSA-N 475.502 0.652 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1835682700 RMELHGHDAFUZRB-QHCPKHFHSA-N 478.590 0.658 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(C)C 1837220877 FNHRSJGHMQVIJL-QPPBQGQZSA-N 464.559 0.729 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1837397222 TUWJHRZBPHATST-GCJKJVERSA-N 450.536 0.173 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1837439220 JUCKSMHRCYKBTJ-BZLIYVJTSA-N 451.474 0.902 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)ccn1 1837490386 BLULDPZSLBFNII-XMMPIXPASA-N 457.527 0.859 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1837492752 QUFAHWRJMHLJRK-MHZLTWQESA-N 496.608 0.538 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)C1 1837526067 SKWMDYIMUGZVBQ-MBUVFEDWSA-N 481.546 0.561 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1837869928 BPLSQEYAUWYXOC-UHFFFAOYSA-N 495.584 0.984 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncccc3Br)CCO2)C1 1838073499 FDVORSFCQJVVII-QRWLVFNGSA-N 466.332 0.952 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838257703 OAEBBVVIQNMROQ-JOCHJYFZSA-N 462.934 0.899 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)c1 1838580875 VMOBIZHCLCMQBU-HSZRJFAPSA-N 481.465 0.439 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838583591 IXYKQYRBKZNYRS-XUZZJYLKSA-N 472.542 0.942 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)cc2NC1=O 1838589428 OZGJNPJUFMKWEL-OYLFLEFRSA-N 479.493 0.990 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598391 FHOSWXNNAJNUMU-QRQCRPRQSA-N 460.918 0.972 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838634104 YANFHOQPBNJDCJ-MWTRTKDXSA-N 491.545 0.309 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4c(=O)oc5ccccc54)C3)C2)c1 1838731943 CVZKZDHLGFYIBR-DEOSSOPVSA-N 479.493 0.955 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839107762 WXUVMPGBRGJBFO-SIKLNZKXSA-N 465.595 0.024 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1839174532 HUDIMMUEQCSXOG-FQEVSTJZSA-N 454.911 0.502 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1839175739 BRFHEUYFSNDRGC-VWLOTQADSA-N 487.553 0.691 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185985 UYMUZGWNSNATOP-HSZRJFAPSA-N 460.506 0.611 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187182 OALIMEXHLSDFPP-XDHUDOTRSA-N 482.516 0.987 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1839190883 IXJKPDGRXHLKBH-MFSJNOQSSA-N 475.542 0.695 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839692491 ZZMNFUGQPOBXNA-HSZRJFAPSA-N 460.600 0.759 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839891346 ABFRPYWZMYWCOC-AUUYWEPGSA-N 481.468 0.447 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840009668 PILYHGGMHQOSQD-OLXFPMQJSA-N 491.585 0.594 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)C2)C1 1840164339 GQNNQNYMHIIZGS-NCPOAKPFSA-N 499.630 0.786 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3nccnc3CN1C(=O)OC(C)(C)C)CCO2 1840366701 RLRWTAYBFPDIMH-YADARESESA-N 485.541 0.228 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840772709 KUDFSZSGFDENRB-AOMKIAJQSA-N 484.546 0.890 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840815204 CJHNBOJQUFKNFY-QFIPXVFZSA-N 479.530 0.993 30 20 JCED COc1cc(OC)cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 15527661 WZCQVTXSGLLPMJ-UHFFFAOYSA-N 472.523 0.838 30 20 JCED C=CCn1c(S[C@@H](C)C(=O)NC(N)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 21229403 MSRQNUSYXPYLBU-ZDUSSCGKSA-N 480.572 0.828 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCN(c3ccc4nncn4n3)CC2)CC1 30547864 CULJZVMNQFFINM-UHFFFAOYSA-N 480.554 0.745 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 503306561 RGSMCHIQWOLABN-UHFFFAOYSA-N 457.512 0.469 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCCC(=O)OC 514919784 UMDWHFWQHLEIRM-UHFFFAOYSA-N 469.972 0.844 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)cc1 517983900 HRQSYBXRHNPTGJ-UHFFFAOYSA-N 452.580 0.847 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O 522721148 JYFYQRRYRPXBTH-CQSZACIVSA-N 450.517 0.871 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccccc2Cl)c1=O 524281806 AFYYCQFSTKXSMD-UHFFFAOYSA-N 495.026 0.674 30 20 JCED COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccc(OC)cc3)CC2)c1 570120283 QTCHWLFUJMTSGZ-IBGZPJMESA-N 469.454 0.961 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(CCNS(C)(=O)=O)c2=O)c1 589160247 INLAFXZRVNEJJI-HNNXBMFYSA-N 477.608 0.976 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 602253119 PNZURGYXYPAQBL-UHFFFAOYSA-N 458.496 0.181 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 728534269 HXFUJDDLUGAIMK-UHFFFAOYSA-N 471.377 0.011 30 20 JCED C[C@@H](OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N(C)CCC#N 729235085 CBLIGEHPKKNMOV-QGZVFWFLSA-N 464.544 0.603 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 811679380 BUYUOEITEXEOKW-XOBRGWDASA-N 452.533 0.653 30 20 JCED N#Cc1ccc(NCCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)nc1 916520230 DUMLMZCUNPSPCC-UHFFFAOYSA-N 469.527 0.576 30 20 JCED CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918307373 VACHDZFPWSIYHI-KQWNVCNZSA-N 451.549 0.811 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 918818968 ZJMWFIQSOKVOEJ-UHFFFAOYSA-N 476.555 0.519 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1nncn1C 1301045458 UPFIASKKDZYMMH-KGLIPLIRSA-N 456.960 0.834 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1303861470 FIPIFEVIQSPTLK-MJGOQNOKSA-N 494.666 0.300 30 20 JCED CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1314557423 LYBFOBOMJVMYPZ-QGZVFWFLSA-N 466.589 0.628 30 20 JCED CN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)CC(F)(F)F 1314864319 QFOKVELRBQHFCY-HNNXBMFYSA-N 479.529 0.845 30 20 JCED CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1316345906 UUHCZWARDRSIKV-INIZCTEOSA-N 459.532 0.377 30 20 JCED CC[C@H](C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1496165218 OGBVFRBMEROJFW-YSIASYRMSA-N 494.666 0.518 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCSCC2)C1 1505141825 XJBLRMDMSYDYBJ-YJBOKZPZSA-N 473.600 0.102 30 20 JCED C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1508433111 LLELZQPUPYUOGX-INIZCTEOSA-N 486.602 0.155 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCN(C)C)CC1 1541803661 KRIBBSBNXXDBOF-AZUAARDMSA-N 496.682 0.623 30 20 JCED CCN(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C1CC1 1547578739 GEZVNGQDMHXQLD-YJBOKZPZSA-N 450.613 0.549 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1552381846 PLPDANSYEVKTCI-MRXNPFEDSA-N 452.562 0.379 30 20 JCED N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1555995466 PYFOOODSVFPCSA-KRWDZBQOSA-N 465.507 0.665 30 20 JCED CC(=O)NCCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)C(=O)OC(C)(C)C 1567461375 WUMNYCKZEKYDGS-CYBMUJFWSA-N 452.533 0.420 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1610273421 ZLKLGKKGYZHXBD-GOSISDBHSA-N 472.575 0.701 30 20 JCED CN(C)C(=O)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1617588979 NMYXPQBCTCNPOM-MRXNPFEDSA-N 467.596 0.609 30 20 JCED Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1618455346 NQBPGRICKXIDLH-UHFFFAOYSA-N 455.548 0.759 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690329207 USAASGBLIHOAIS-STQMWFEESA-N 455.006 0.406 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 1690866442 RTUPPECDMDUMFQ-FQEVSTJZSA-N 471.587 0.604 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1696578535 KKWZNFJEGJXEDY-WOJBJXKFSA-N 452.563 0.935 30 20 JCED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1697025432 JAWVQWWGUAEXFE-UHFFFAOYSA-N 490.565 0.287 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(-n2cncn2)c1 1706872619 YVYRGDJDIHBEHR-LIRRHRJNSA-N 459.511 0.959 30 20 JCED CC[S@@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1729249165 YANQWVZGSRPRBP-HYDGNGQDSA-N 458.610 0.510 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1729682978 YOFIINYQYXBSSM-KRWDZBQOSA-N 458.544 0.593 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1741675289 VOFSQXLVLBKFLZ-QGZVFWFLSA-N 472.575 0.444 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC(=O)NCC(F)F)cc1 1750384973 XAPXNIMOTIAIOK-UHFFFAOYSA-N 454.459 0.345 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCOC2)c1 1766940050 GCODJALOXNZRJM-OXQOHEQNSA-N 462.532 0.076 30 20 JCED CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C1CC1 1768081360 WBGNYAIOEAMVPB-CRAIPNDOSA-N 474.591 0.907 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]n2)C1 1777775790 YNHGUVJBQWXUHD-WJONJSRFSA-N 460.535 0.849 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC(F)(F)C1 1778177106 OZXRYKUXCZJTJQ-QVKFZJNVSA-N 485.484 0.797 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1778965444 RESJOBQRQNBCIZ-VVBPWWLESA-N 455.552 0.275 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106190 XSGKPHCRTZGHJP-XKGUBGCOSA-N 451.549 0.372 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1779937377 MIINCHKWEUTCMY-NGMMCZPLSA-N 474.518 0.232 30 20 JCED CO[C@H](C)[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)N(C)C(=O)OC(C)(C)C 1782013909 YYLINEZSUYCHBB-XBFDIVRLSA-N 495.573 0.859 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(n4ccnc4)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1782862010 NUPPKHXOYGWUSB-GOTSBHOMSA-N 457.531 0.682 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)CCO2 1783046802 VRUCZNMAGGJHTI-DHIUTWEWSA-N 460.531 0.996 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1783182506 WOBOZJZQGVZOGP-JIGPKXGUSA-N 452.552 0.810 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783564704 CPXJEOULCRGDDL-IRBZQWRBSA-N 461.515 0.551 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567447 PNMHNOKKYUZJIP-MEICDQCUSA-N 491.541 0.176 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)[C@H]2C1 1783847101 ZVQIAFMCRUIXQC-DGYLXYOXSA-N 473.570 0.737 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1783883278 GNVCZIIHYWISIK-IPPNXFFKSA-N 498.552 0.980 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)CCO2)C1 1783895665 YUNNCVVYYAOCNV-SPLOXXLWSA-N 480.591 0.791 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784270425 ZULOEDPINCUAHE-TXTZMMAHSA-N 463.531 0.748 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1785574671 NZRRLZFYHGBFNV-CJFMBICVSA-N 491.633 0.370 30 20 JCED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21)C(=O)O 1786896131 GREAHXKSGSWSRP-DDWPSWQVSA-N 483.447 0.628 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1788481498 HCAJNWOAIBLYNH-XSLAGTTESA-N 493.609 0.426 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1788660664 FBFVMWYCGRCZCL-OBHKDQHOSA-N 457.549 0.072 30 20 JCED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)n(-c2cccc(=O)n2C)n1 1789344109 MUDIJOVIDDKMRN-WFXMLNOXSA-N 489.536 0.986 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906694 FUPJYKSIYOCKKU-LLRHIXAHSA-N 494.527 0.828 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C[C@@H]21 1790793498 LKLIXAILMHQTBF-FJIDUMEYSA-N 464.563 0.361 30 20 JCED CC(C)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)c1ncc(Br)cn1 1791073246 VZEAIZWUPFAQEO-QEJZJMRPSA-N 479.331 0.584 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1792451186 GJEIVVOUJYGCTI-XRNRSJMDSA-N 496.605 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 1792485576 NFLLRNXIWFCEGJ-SWFHQTGMSA-N 450.499 0.329 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1793342814 TWVRJGOGVKNQIO-AYMMHLMVSA-N 467.526 0.121 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O1)C2 1793347395 CROBJNHINCRTQM-WSRGUFLPSA-N 491.585 0.639 30 20 JCED C[C@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O)C(F)(F)F 1793728485 SNOLYGWHVWQZIM-MEUQOTJWSA-N 454.295 0.245 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncn3nc(N4CCOCC4)ccc23)CC1 1795968622 LXBJVNJCFBOOQW-HGKCTWBKSA-N 465.514 0.073 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795969389 YHMREYSREYXJEN-ZXFNITATSA-N 460.560 0.087 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccn4c(O)nnc34)c2c1 1796288988 UJENLPGJGFNQRY-ZSBFGKGUSA-N 472.465 0.700 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1796299319 XWNAZVUBNPVQKE-IIZPIQPGSA-N 486.569 0.966 30 20 JCED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)cc2Cl)CC1 1799751235 XDJWYBOBCIXFIO-OPMZPASUSA-N 473.961 0.579 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1800020952 PHJUPIWWHORDSO-MHORFTMASA-N 489.573 0.873 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)[C@H](C)S)C3)C2 1800326513 PPNBZCGVWRKWLQ-JGFGOLAASA-N 450.561 0.530 30 20 JCED C[C@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800338430 OMASMIQFPLAQAI-JRNKBRHVSA-N 492.532 0.077 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc3c(Br)cc(F)cn3n1)C2 1801990495 XPSUAEPQILEAFB-ZSBIGDGJSA-N 464.251 0.971 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)[C@H](C)CC)C2 1802125552 YZUKJPAWFZLGEK-RCFCFVIZSA-N 451.564 0.900 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1802478911 UULWRRXGCRNPBX-DUUQOCSHSA-N 477.587 0.274 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1803565730 ZBXSXSKPYKUOOT-SIXWZSSISA-N 451.487 0.723 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807149023 CBIMJHZSIQLMSM-MJGOQNOKSA-N 459.620 0.853 30 20 JCED C=C(C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1)C(F)(F)F 1807950077 SKMWZOAZPSAJAX-WFASDCNBSA-N 462.392 0.646 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1812712623 PNFBOTNFAKIKFG-BVAGGSTKSA-N 479.581 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CCN3CCN(C)CC3)sc2C1 1814574785 NRIKGDVQOQVEEW-WLMCBFPDSA-N 460.604 0.551 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817078353 XJLWWLWKXPOPFM-SGMGOOAPSA-N 450.565 0.258 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2C1 1818638590 FQRNIDIYCMIOKC-DZGCQCFKSA-N 468.601 0.765 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)C[C@](C)(O)CC(=O)O)sc2C1 1826068294 NPBABVHUMUQCLU-AXYNJAANSA-N 450.517 0.529 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)C(O)O)CCN3C(=O)OCc2ccccc2)c1 1828523115 VLJHLEYAHQAWAN-QHCPKHFHSA-N 467.482 0.263 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCSCC2)CCO3)c(C#N)c1 1829714653 BJGVAKCEQQRBNE-DEOSSOPVSA-N 488.610 0.615 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1829864486 IQUMRAMCCVFTQU-YDIMBITNSA-N 494.589 0.274 30 20 JCED O=C(O)c1cnncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468020 CSXFEBPZXNRAOF-QHCPKHFHSA-N 484.896 0.950 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCO2 1831110050 BIRVXPRFWACBOG-PXDATVDWSA-N 453.539 0.905 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1831397303 QMMBRNHWCFTGSU-OYHNWAKOSA-N 477.470 0.417 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c[nH]c4ncccc34)C2)C1 1831403333 ZUATZKWKNNPOFN-KOSHJBKYSA-N 454.527 0.990 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832353916 MNWLGJGESSMHED-IECBHUPTSA-N 463.575 0.825 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)CCO3)cc1 1833028065 JHEOMWXQIXPRGF-IQGLISFBSA-N 493.520 0.635 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833114476 HKGZOOONASJUQP-NTKDMRAZSA-N 489.573 0.945 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833572517 MDUDJEPQNPQCKC-FOIQADDNSA-N 453.471 0.653 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc(C)c(C)[nH]c4=O)C3)C2)c(O)n1 1833696842 PYUNVHAYYWFMOS-VWLOTQADSA-N 497.552 0.990 30 20 JCED O=C(CNC(=O)c1cccnc1)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833771612 DARYCGXAHMXBDJ-TURZUDJPSA-N 483.617 0.855 30 20 JCED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)c4n[nH]c5c4CS(=O)(=O)C5)CC3)CC2)C1 1834912589 XBLPGPWKUVMZEQ-UHFFFAOYSA-N 461.588 0.990 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(Br)nn4c3)C2)C1 1835353688 BKZGJSVJXYQDTC-IBGZPJMESA-N 477.319 0.866 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CN)CCO2)C1 1835529554 YEJIVBVJBIPDHE-IECBHUPTSA-N 480.606 0.734 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835666357 FUMCQHBIMOUGTM-UHFFFAOYSA-N 459.599 0.173 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837481953 NVSDMQNPPPNIKA-DVECYGJZSA-N 471.558 0.432 30 20 JCED Cn1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1Cl 1837490769 PBIMMWKPBWJHFR-JOCHJYFZSA-N 464.950 0.842 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837531318 JCUUPBKPMPKNEW-VJIOCRDPSA-N 472.502 0.328 30 20 JCED CN(C)c1cncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837561585 WEMUMTXBHCHPKY-ABBHQSEISA-N 455.515 0.930 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837733495 AQRJNVMALBKNGB-PGRDOPGGSA-N 478.933 0.433 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)c(NC(C)=O)c3)CCO2)C1 1838606946 DLCNASXZOGIPAQ-XDHUDOTRSA-N 473.526 0.762 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839035865 IJBXHHDKMPVMGR-MWTRTKDXSA-N 460.506 0.950 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)CCO2)C1 1839036841 QBJZGRGPBMZWQZ-AUBMYDRESA-N 491.560 0.974 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cc(C)n(C)n4)C3)C2)c(C#N)c1 1839131463 ZPMLSNBSUICNDC-RUZDIDTESA-N 481.553 0.850 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839190871 INGOVOVKBQVISP-VXKWHMMOSA-N 453.536 0.703 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c(Cl)c1 1839423883 BLGGPQIDAPGNIJ-OAQYLSRUSA-N 473.921 0.615 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC[C@@H](N)C(N)=O)C3)C2)cc(C(F)(F)F)c1 1839443260 WBWFQNZKKGZXCG-DYESRHJHSA-N 497.474 0.240 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488060 VGKLQXZFUGWKAM-NPMXOYFQSA-N 468.514 0.371 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1839716688 WUWQGTALOBAEDU-HXOBKFHXSA-N 479.599 0.866 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1839784781 VMDCWPCULVUTIE-UGKGYDQZSA-N 461.540 0.514 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13C[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1840008866 OOMPJHAZQKMIQG-BWSHLYMBSA-N 491.585 0.738 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4[nH]nnc4C)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251453 FLNMUEXGRPIXPH-GAJHUEQPSA-N 490.561 0.749 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1840277498 FSTISRJHLXHNBM-RUZDIDTESA-N 486.569 0.754 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812397 OITOKOPRJDUEIC-AOMKIAJQSA-N 466.535 0.022 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1841054395 TZDUKRXTZYGJIB-QWPQOLDESA-N 462.547 0.684 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CCOCCOCCOCCOC)C1 1845244874 HAPGUJPUSZMWKG-WAYWQWQTSA-N 467.563 0.135 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1847071967 RHMSRJRMBGTUTO-MOPGFXCFSA-N 461.607 0.742 30 20 JCED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 497654787 BWBQBRSRQOSYMH-KDURUIRLSA-N 475.615 0.827 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccccc2)c1=O 501765502 ZNQSLPNAWSYDDI-QGZVFWFLSA-N 455.536 0.661 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CCCSC 514491094 PARIOQBLHLNBOB-UHFFFAOYSA-N 463.581 0.938 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc3c2OCO3)c1=O 515506158 QAYWAMWVQBPBKK-UHFFFAOYSA-N 454.552 0.716 30 20 JCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 516311912 WLHVBRJCJJSAIW-UHFFFAOYSA-N 483.569 0.442 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1-c1cnn(CC)c1 522385257 QTWFNGOUCBIXQM-UHFFFAOYSA-N 465.535 0.938 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(NC(C)=O)c1 603496050 XQMQVDNJFXQZIT-UHFFFAOYSA-N 477.546 0.908 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(=O)N(C)C 604270128 HNFZTPXPVDMZRP-UHFFFAOYSA-N 460.531 0.183 30 20 JCED CCn1c(=O)c(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)c(N)n(Cc2ccccc2)c1=O 727010968 SWYLZFVBOHACLF-UHFFFAOYSA-N 489.488 0.688 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCS(C)(=O)=O 729675039 RAHSWAWTNIUQJI-UHFFFAOYSA-N 463.537 0.981 30 20 JCED C[C@H](OC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 748410290 SOJDIBSYLMTEPV-HOCLYGCPSA-N 456.542 0.955 30 20 JCED CN(C(=O)COC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C1(C#N)CCCCC1 750506983 DFRZHINNHJQHLY-SFHVURJKSA-N 499.611 0.996 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)cc1 811832509 SBYFEFXHOPQBFX-QGZVFWFLSA-N 470.569 0.571 30 20 JCED COc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)cc1 837040258 FVISQIURGSNWLI-WBVHZDCISA-N 487.600 0.886 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2ccco2)c1 918254060 GLGWPNLZBYEQLW-ULJHMMPZSA-N 461.500 0.577 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1160685335 LWLMXMLBKSPXGB-MRXNPFEDSA-N 450.517 0.097 30 20 JCED CN(C)C(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1297987816 KUIUVFOQOSFCRM-HXUWFJFHSA-N 485.614 0.852 30 20 JCED C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1507854304 JSSCKODOGOQDED-QGZVFWFLSA-N 462.576 0.897 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1519606574 OJJLUZSTCJAGJP-UHFFFAOYSA-N 469.527 0.921 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1=O 1555597187 KLVGZVFXINTNMB-UHFFFAOYSA-N 450.503 0.806 30 20 JCED CC(=O)N1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)CC1 1596275689 MDPJXEHLAJAWDW-MRXNPFEDSA-N 466.612 0.182 30 20 JCED Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1630007828 XDQCPVHRCSDZPL-ZDUSSCGKSA-N 451.530 0.537 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1692573290 OVMPLFAGTGNKBX-GOSISDBHSA-N 457.560 0.956 30 20 JCED CO[C@@H]1COCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1712099713 WDLQVUFVXKEUFL-GBESFXJTSA-N 482.607 0.793 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@@H]1C 1712479093 QKZGDUFKICCWAZ-KRWDZBQOSA-N 461.592 0.865 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCO1 1722842633 LROKHPVARFNCJX-SFHVURJKSA-N 461.548 0.049 30 20 JCED CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1723042868 ZNFXTBQXKFAOKI-UHFFFAOYSA-N 483.573 0.480 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1729343893 UKJUNUJWWHZMCV-INIZCTEOSA-N 452.562 0.331 30 20 JCED CCc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1744376800 POZMGVVMPJELTO-OALUTQOASA-N 460.560 0.950 30 20 JCED C[C@H]1CN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C[C@@H](C)O1 1763197568 FXPSSPBMYPJLJO-HLNWXESRSA-N 494.666 0.564 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1767011052 TVSREKXEBKBSQT-SFHVURJKSA-N 487.586 0.393 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1778970581 CMOZMRZKQRIQPU-HXOBKFHXSA-N 471.514 0.695 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)ccc1Br 1779094247 ALMMNYASNKZQEP-PZJWPPBQSA-N 493.358 0.415 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)nc3cccnn13)C2 1779445566 GGHXOPDPRBQPFE-QLFIIDOOSA-N 478.509 0.929 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)C=CC2=O)C3)c1 1780091221 XVDJAVCPSNMIJJ-NTKDMRAZSA-N 466.494 0.619 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781055313 UESMIHQMHJWQKO-BUHJNJCVSA-N 462.547 0.746 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1781166378 MRVDGOKWYHQJBO-UZUQRXQVSA-N 464.563 0.649 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C4)c2c1 1781204779 MSHJWSQHEUHYDG-PRCFCKQXSA-N 467.530 0.155 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781792540 RUZWHIKFFAKSCB-VWLOTQADSA-N 489.569 0.892 30 20 JCED CCn1c(-n2nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)cc2C)cccc1=O 1782010268 GFKMLALFYSYUFA-KBMIEXCESA-N 495.536 0.578 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3nnn(CC4CC4)c31)CCO2 1783047397 BHHSRHBBEZZJIR-IQGLISFBSA-N 498.584 0.986 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(N3CCCN(C)CC3)c(F)cc1[N+](=O)[O-])CCO2 1783055447 ZXEPJDUNUCGKAV-QHCPKHFHSA-N 473.505 0.953 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1783180403 VPVIMFRKRYDPDK-GIMINZRKSA-N 450.536 0.258 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)n1cnnn1)C2 1783268695 FJDGAPLDYGXWOX-VOLVWJTLSA-N 489.577 0.665 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1783466013 UGXOQVOOULUGGN-HLSAHWISSA-N 461.559 0.968 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nn1-c1ccccc1F 1783562569 MCZIQLDXQKIRFQ-JOCHJYFZSA-N 456.430 0.552 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1783768413 CKIMXJMJLBCXND-SAHWJRBASA-N 464.563 0.907 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)[C@H]2C1 1784786395 GVCPJFHUAUPOLW-MILMJNAHSA-N 481.590 0.933 30 20 JCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1785014780 NQBFHDAFPWLKHY-QAETUUGQSA-N 457.593 0.771 30 20 JCED Cc1cn(CC(=O)N2CC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)c(=O)nc1O 1785352977 CHHTUWYQKXZYDT-HSZRJFAPSA-N 469.473 0.341 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4C(=O)C=CC4=O)C[C@@H]32)c(O)n1 1785772668 KBWUYZJXOOULCH-VDGAXYAQSA-N 482.537 0.814 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21 1788602319 YNECBPNQSDSBOV-ANMJRHRBSA-N 466.432 0.793 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1788774412 SPNJELYYIIHCSF-OJHXPNSASA-N 463.556 0.618 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(CO)on4)[C@H]3C2)c(C#N)c1 1789377746 ILXDSNYCPYRAEU-ZRCAFCQKSA-N 454.483 0.883 30 20 JCED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNCP(=O)(O)O)C[C@@H]32)cc1 1790141740 VSYKOUYPYYCNFF-BZSNNMDCSA-N 450.432 0.071 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1790788884 JJGWZKPFTKQNOH-PRJWMFDWSA-N 455.577 0.261 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C[C@@H]21 1791072674 STNXGGPFVGBJCJ-YRPNKDGESA-N 453.495 0.103 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C[C@@H]21 1791261605 RCKLWIWTNHNPBK-WEVKCVHISA-N 471.620 0.902 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21)NC(=O)OC(C)(C)C 1792109111 UTLWSSHMGIVJNY-VJANTYMQSA-N 469.579 0.835 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(CC#N)cc4)C[C@@H]32)c(=O)nc1O 1792132692 IJACDLSYXHWLIU-UFYCRDLUSA-N 465.510 0.617 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1793354754 OMYHQORYTULBLE-OAFZBRQQSA-N 451.545 0.421 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795413379 AXOHKKYXKFBDLV-YVSFHVDLSA-N 492.577 0.222 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCSC(=N)N 1795589257 JIYPKHGSCFWEHF-JYYAWHABSA-N 467.592 0.509 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)NC2)C3)c(C(F)(F)F)n1 1795994162 MGKVMCBLIIEUMN-JRATXPSKSA-N 465.432 0.701 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C(F)(F)F)cn1 1796065857 KUMKSCIIKODGQT-YOEGPNAJSA-N 453.421 0.557 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1)c1ccccc1 1797803215 QFZGLDKNVPURKT-GYLCGTKRSA-N 455.555 0.424 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C3)c(C#N)c1 1799239732 JTRWWVCLIVUXLP-MHXAIHSWSA-N 487.509 0.194 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1800824938 ZMGNOGXWBDAPCY-OJKAZFDUSA-N 487.557 0.850 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1800997215 WAYJGGKWTLJTLL-JHDGKUDLSA-N 489.594 0.714 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)C(F)(F)F)c(C(F)(F)F)n1 1801033146 OBUVYJRIHGQZPS-WDAIWFPHSA-N 493.364 0.854 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1802151931 LYKLBFBWUQCENO-RCJHGTSTSA-N 450.536 0.148 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(C(=O)O)ncn2)[C@H]1c1cccnc1 1804964979 SFALMHJNWWRAHS-BDGDHSELSA-N 464.482 0.748 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)C[C@H]1CO2 1807749115 MHIUSXYPWMQQEW-DTOBJMFKSA-N 498.536 0.954 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]2c2cccnc2)c(C(F)(F)F)n1 1808261751 OCGLTLODMPCNQW-XOKHGSTOSA-N 461.448 0.973 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1810388871 RLRIACKZGXHSQA-MPBUAWGJSA-N 452.471 0.398 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1815670585 CEJNAWZMEICIBI-AAOPIFSGSA-N 496.590 0.661 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2ccc(O)nn2)n[nH]1 1821663863 XAMFMRAGAJCYHS-VIHMKRCTSA-N 455.475 0.835 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1ccc(C#N)cc1)CC2)C(=O)C(=O)O 1824665906 RMQMWXNDRBPZBC-AWEZNQCLSA-N 455.496 0.712 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828525296 OEGLIXZYCOYADE-HXOBKFHXSA-N 476.530 0.550 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCN2C(=O)OCc1ccccc1 1829016603 BJDMCVVXJCOZAZ-JOCHJYFZSA-N 453.503 0.701 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cn[nH]c3)C2)C1 1829332216 DOBFLTHKLYZFBC-QHCPKHFHSA-N 465.466 0.563 30 20 JCED CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)S)CCN2C(=O)OCc1ccccc1 1829346510 WGUBDEJSXSJROS-AOMKIAJQSA-N 462.572 0.893 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1830779029 XZRIGUQKYCCDGN-LAUBAEHRSA-N 464.544 0.032 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1831133255 UKKAJCYNLOWAIP-QHCPKHFHSA-N 482.578 0.924 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)C2)C1 1831387091 DJFXNNFYLGDMLX-KYTVRQNUSA-N 499.564 0.543 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832541983 BRVWXALRIGZIDB-QMHKHESXSA-N 475.567 0.838 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833564323 XZXZCJLCZBBTRB-NRFANRHFSA-N 464.544 0.246 30 20 JCED NC(=O)c1ncccc1C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833918753 DMLRRZYCMQBLKO-WPWMEQJKSA-N 469.590 0.837 30 20 JCED COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834128531 HNTFICRNVMDJDY-DEOSSOPVSA-N 457.527 0.859 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834311635 WBXIHGHAOOVEOU-JPYJTQIMSA-N 473.530 0.463 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cn2[nH]cnc(=O)c12 1835100450 SWUFBWVOOAAUSB-VWLOTQADSA-N 475.505 0.453 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c(C(F)(F)F)n1 1835118448 CFONADBBXUDEDR-YWZLYKJASA-N 481.431 0.321 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1835680413 IFPTUBQTTPVFLP-XMMPIXPASA-N 481.557 0.619 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836306061 YWMJVVPQROSAMU-UZFJHSOTSA-N 490.561 0.653 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1837398906 KVHDCGZJLPVJRN-XMSQKQJNSA-N 466.604 0.981 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1837444005 WHISQKOETKTXCS-DUOUORMQSA-N 456.543 0.918 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837485999 SUGKSYOISLRNFK-UUOWRZLLSA-N 480.525 0.684 30 20 JCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837528441 KLAFXRFDXAVTPH-SIQMMJIHSA-N 486.529 0.637 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837562695 CARXBIKMVCYQJN-YVABFXQFSA-N 452.471 0.511 30 20 JCED O=C(CCc1ccc(O)nn1)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837565402 VMFQFWSHBLELOL-HPARJBSBSA-N 457.487 0.283 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)c1 1838579660 XDHJBXPWWUPGSM-VWLOTQADSA-N 495.536 0.785 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838582582 UHHVAUQGOAGTTQ-QMHKHESXSA-N 456.499 0.328 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838794139 DRGOMXDOUJVVOV-XMMPIXPASA-N 481.557 0.619 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)c(C#N)c1 1839131240 SZJJVVGJKGUGJK-XMMPIXPASA-N 465.510 0.598 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cncn4C)C3)C2)c(C#N)c1 1839131414 GFMJASVOHMIJLN-HSZRJFAPSA-N 453.499 0.613 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c(C#N)c1 1839132229 AFSMTAYGOLFFFX-KBDOHKNDSA-N 482.537 0.401 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCOC4)C3)C2)c(C#N)c1 1839133569 WYBNAPDHSQQUHH-NTKDMRAZSA-N 457.527 0.992 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1839185524 FFGNEKVEYZRURJ-DVECYGJZSA-N 496.605 0.829 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1839203218 DDOVUDOASCOMLC-STSQHVNTSA-N 485.578 0.310 30 20 JCED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839441028 YPLPPHUTPYLSOT-LJQANCHMSA-N 470.935 0.695 30 20 JCED Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487681 DZAJDGLRVRFOGJ-OAQYLSRUSA-N 450.459 0.245 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840019091 QNRJTGWKTHDOLY-DBPMHTNYSA-N 469.604 0.874 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044311 CLLKESVEZPZEBL-GOTSBHOMSA-N 497.520 0.270 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc(OC)c1C)CCO2 1840069257 XPKMGIFVBXAGKQ-RRFNBQSRSA-N 471.554 0.861 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840157364 MNCKRIAITDMGKH-BXTJHSDWSA-N 461.581 0.037 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1)n1cnnn1 1840477144 BYCVQNQRVXLHQC-NQIIRXRSSA-N 462.627 0.742 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nnc(Br)n4c3)C2)C1 1840841654 NGDBEYAWKKMGBW-HXUWFJFHSA-N 476.331 0.975 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1840909592 WWIYAMVORIQWCY-IEGUWTFLSA-N 490.561 0.212 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1 1840957439 BPRBQVZTCPGYFU-HSZRJFAPSA-N 459.499 0.858 30 20 JCED CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840961290 QAWSJMOKJJQAFC-QFIPXVFZSA-N 467.519 0.082 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1841024046 LNROCHPWPZVXPQ-BTFXCVNISA-N 476.574 0.666 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)CNCP(=O)(O)O)C2)CC1 1842874803 SEDLKIPLBBRWBY-UHFFFAOYSA-N 499.505 0.455 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844298949 UYMMWEUDFIVDMU-COCILVILSA-N 472.542 0.898 30 20 JCED COc1cc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)cnc1I 1846195040 UWMYYTFRFVJORK-UHFFFAOYSA-N 469.235 0.600 30 20 JCED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1846256907 IQULNXCFDMUOIR-UHFFFAOYSA-N 466.575 0.585 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2)C(C)(C)S 1846301683 JSURRJQSTNGCMZ-SOUVJXGZSA-N 456.609 0.514 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1846980513 JKTRCBRQDAZYQD-ZWKOTPCHSA-N 497.577 0.321 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1847090847 QKUBYERILHAIOD-HNNXBMFYSA-N 464.567 0.240 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)C3)C1 1847100721 VAEDYNDXOJYPQP-UZEJHQAJSA-N 488.585 0.601 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 16261276 NXICZRXCJQOTBZ-UHFFFAOYSA-N 480.524 0.752 30 20 JCED NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)c1 22410137 KNFZCMNGLBDPAV-UHFFFAOYSA-N 458.543 0.605 30 20 JCED N#CCCn1cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 497967662 OVNPLLUKNMAOSO-UHFFFAOYSA-N 481.513 0.989 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccnn2C)c1=O 502020620 XCBKHVJGXNIMQL-UHFFFAOYSA-N 495.561 0.983 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCCC(=O)OC 507088259 MLURBVJNHMHFIB-UHFFFAOYSA-N 461.515 0.576 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccc(OC)c(F)c3)c2=O)cn1 522381996 HHUYEYHUYLKTAA-AWEZNQCLSA-N 485.541 0.917 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCN(C)c1ccccc1 522535027 MEVCTAMXXHOYHT-SFHVURJKSA-N 494.621 0.824 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522537319 DFNOEOOUTASQMA-UHFFFAOYSA-N 457.533 0.927 30 20 JCED N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 731409802 YAQPDMPPKSWQBS-UHFFFAOYSA-N 499.505 0.391 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2)nc1 749031512 QSSWGACTZNMKJF-UHFFFAOYSA-N 461.526 0.942 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)nc2N2CCN(C(C)=O)CC2)c1 750844454 RCCACKWVEBTCDP-UHFFFAOYSA-N 471.539 0.923 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCN(c2ccccc2O)CC1 853665846 DOMHVYAMGJDMQO-INIZCTEOSA-N 472.523 0.823 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCS(=O)(=O)CC1 917139611 ZSZPAMXZFLAMHU-INIZCTEOSA-N 456.590 0.131 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1299134384 PAAVOIZMKJCAEK-QZTJIDSGSA-N 473.559 0.192 30 20 JCED CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCOCC1 1302599614 ADBACSHOJMKTMQ-NVXWUHKLSA-N 483.664 0.977 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)NCCO)CC1 1454263435 MRFFEYRRSMTCTD-QGZVFWFLSA-N 450.561 0.631 30 20 JCED CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 1502356550 PDZLUSSRJCNNQR-NRFANRHFSA-N 466.590 0.796 30 20 JCED CC[S@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1503301374 FMBVGUSABBCEAY-XIFFEERXSA-N 473.607 0.409 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1554503672 IKZSMEYPKRDUFT-HNNXBMFYSA-N 485.492 0.871 30 20 JCED COc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555125208 ICENVCPVIZEBHV-PBHICJAKSA-N 460.564 0.517 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC(=O)N2CCOCC2)cc1 1620352607 UUZSXLHALQZETN-UHFFFAOYSA-N 467.530 0.679 30 20 JCED CC(C)(C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)c1cc(F)cc(C#N)c1 1630587183 RGASOUCVJFIJAZ-KRWDZBQOSA-N 457.549 0.636 30 20 JCED CN(C)C(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1696587536 OPQQMYLPNNGCFM-KXBFYZLASA-N 453.569 0.219 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1729216373 LDPNQFUOBVKNBZ-NRFANRHFSA-N 460.560 0.876 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CC1 1749885174 QJTHWPVEGPXGBO-INIZCTEOSA-N 477.367 0.929 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)NCC(F)F 1762294516 OEHUCVLDYGIQQL-HNNXBMFYSA-N 452.510 0.754 30 20 JCED CS(=O)(=O)CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1770325549 NOHBTNFXJSGNOA-MRXNPFEDSA-N 486.620 0.176 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1778784514 NZLRXMFOBDYTLE-HOQHSMRBSA-N 451.501 0.381 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778787092 KSKCBHQCRRGQLH-QQMNAOGKSA-N 498.577 0.740 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779015532 YQVZKCBBDBJACZ-LTZZLEMGSA-N 493.605 0.924 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1779104509 ARGDRNPDFFZJLA-LQYCRSIJSA-N 450.414 0.024 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1779319958 SWYHQKPUHXXOJJ-RDPSFJRHSA-N 472.542 0.940 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1780809375 VMRKCTPAARLZHP-GLHSZLCASA-N 451.612 0.937 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1781396320 QOQQVPHKZOXDSL-JLHGSKIFSA-N 470.567 0.893 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782199047 HSVUIGAOTCXCGB-WZONZLPQSA-N 484.513 0.721 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1782671173 CNWFFDWWKNWSCZ-HSZRJFAPSA-N 451.483 0.895 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1)C(C)(C)S 1783778812 YJCMCZORPGRAEA-IIBYNOLFSA-N 482.607 0.710 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C[C@@H]21 1784484072 QGUIVELROLIMSQ-NKMKZGIRSA-N 454.527 0.509 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1784786428 XQQNLMDTRNLJDZ-NXOAAHMSSA-N 473.592 0.480 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1785576912 QVULOXOHJJWPLO-HJPURHCSSA-N 489.529 0.308 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cc(F)c(F)c(F)c3)NC(C)=O)[C@H]2C1 1789706064 GSXCUXYACFQRGW-SAKMYQHLSA-N 451.445 0.764 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)c(I)c3)[C@H]2C1 1790300956 FFUGEBHUZIQXTM-XEZPLFJOSA-N 498.273 0.678 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790652613 URYGTBIQKVXHHN-ILXVDBEPSA-N 452.533 0.691 30 20 JCED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC1 1791079364 LSROTHINVWWKKO-BZSNNMDCSA-N 461.515 0.621 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CCC4)[C@H]3C2)C1 1792141509 WEIUDWCDHKPQJV-QTMHVTGLSA-N 476.574 0.888 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)C2 1793340373 UPODLFKDVQXSHD-NSAZKJPHSA-N 471.558 0.330 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1793830385 ZUPMWGHWYWVJOE-JKJDWNRSSA-N 463.535 0.692 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCF)cn1 1794409936 HBDZFTJCHYBEMW-YYAJDYIMSA-N 491.520 0.902 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/O[C@H]3CCCCO3)ccc21 1797812031 KZZMEDIOGBABNM-PIACKPHESA-N 485.541 0.609 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)C2 1799305614 WGACCBLBLVFBIL-RDPOXOKHSA-N 457.527 0.904 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCNC2=N)C3)ccc1Br 1799707954 DREARJHQKFVIQB-JLVBRIDZSA-N 475.347 0.364 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)c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c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1803507299 SOZYHODAJXNLAV-DKSSEZFCSA-N 458.544 0.929 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807623575 KUJDYYDXKGVCJP-HBFSDRIKSA-N 482.545 0.691 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cccc(N3CCOCC3)n2)[C@@H]1c1cccnc1 1808695842 LCRANOUKYVFSDE-JPYJTQIMSA-N 463.494 0.721 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1812716899 IANXYARMVUCJHG-XXBNENTESA-N 469.517 0.699 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@H]2CCc3nc(NC(=O)CNCP(=O)(O)O)sc3C2)c1 1814768148 QOBGKEHGUMGKSI-ZDUSSCGKSA-N 479.455 0.974 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](COC)NC(C)=O)CC2 1822928388 UYMBACWAGZRBIP-HIFRSBDPSA-N 452.533 0.716 30 20 JCED O=C1CN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)C(=O)N1 1824970645 UMQSCMQSLZLWNN-IBGZPJMESA-N 458.559 0.857 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829713346 LXIHJKCJDOPZTG-IOFJYKPDSA-N 470.592 0.021 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNc4ccccc43)C2)C1 1829765129 HIWISHBMEAHEAC-PLKRASQRSA-N 454.527 0.511 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COC3(CCN(C(=O)OC(C)(C)C)CC3)C1)CCO2 1829847500 LXFWZNZOLMPWHX-KBMIEXCESA-N 491.585 0.882 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)c1 1830458877 KZLPKUCZBHLXQX-VWLOTQADSA-N 470.570 0.670 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461538 OBAFHKDFRBTBKP-MHECFPHRSA-N 454.527 0.638 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831673486 QRLZOJHLDYQRJP-ROUUACIJSA-N 465.547 0.970 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC)C2)C1 1831998652 PSPAMLDLZMHEQS-BSRJHKFKSA-N 468.595 0.910 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1832000291 LCEKAZNWDUUQNQ-VGSWGCGISA-N 468.551 0.048 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1832454315 GRZMILSJCGGIKE-HXUWFJFHSA-N 453.586 0.854 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@](C)(O)C(F)(F)F)CC2)CC1 1833639231 SWCGEVBRZBGVIW-FBQMEGEOSA-N 460.497 0.730 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)=O)CCO2)C1 1834725932 IZEOMHZCGZQGSP-URZJWIJPSA-N 451.520 0.501 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC1CCN(C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835120072 MPSXGOLELSCXTL-TYVCVZFDSA-N 490.626 0.709 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)[C@@H](O)C1 1835356586 DXOIAHGKMJKVBQ-GKVQRAMASA-N 494.589 0.755 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835495612 MCUJDDATRKTDCX-HYBUGGRVSA-N 469.542 0.910 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1835733218 UMXDXBPTGAKETO-OEAKJJBVSA-N 494.687 0.890 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)[C@H]4CNC(=O)C4)CC3)CC2)c1 1836126206 YCZYMWLOMILZDF-GOSISDBHSA-N 453.543 0.888 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837078248 BCMRHPFAQHAWTR-IWXLIXGASA-N 471.514 0.933 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837115135 SJFLWMNMGXSXJZ-HSZRJFAPSA-N 456.499 0.914 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837206727 PNOAMXMNCIOUST-PYEWKGIHSA-N 481.527 0.008 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)c4nncn4c3)CCO2)C1 1837367520 QNJKZYLBAINJFT-BTYIYWSLSA-N 461.906 0.491 30 20 JCED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837526744 VHKYBCIBDXCHDG-RGEBAEOJSA-N 463.535 0.636 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1837527366 LZAAGFJYUWSMCX-ROTPYAIFSA-N 461.515 0.705 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1837559791 ICGGJTITFWEKNK-HOJHWTSUSA-N 469.494 0.995 30 20 JCED COCCOCCOCCOCCC(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1 1837635518 DCPSKKYWPFRNKH-UHFFFAOYSA-N 469.579 0.985 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837701374 LFUWZQGDBNXJLV-QMHKHESXSA-N 458.490 0.387 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCC(OC3CCN(C(=O)C4(C#N)CC4)CC3)CC2)CC1 1837790452 VFRPZAPDXNWVKR-UHFFFAOYSA-N 466.604 0.960 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838763010 YBSGVTUFBSQMDO-MLGOLLRUSA-N 451.471 0.848 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044542 MMNLAGJQRYZVFC-AOMKIAJQSA-N 493.586 0.149 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(OCF)cn4)C3)C2)c(C#N)c1 1839131571 LNCZQWTYMPJBAG-DEOSSOPVSA-N 499.499 0.975 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)N1CCN(C)CC1 1839421364 MBQYYFLDFXFOMB-KOSHJBKYSA-N 473.549 0.403 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn(C)c4=O)C3)C2)c1 1839451348 OCHDWQVKLJRCHD-XMMPIXPASA-N 450.495 0.949 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)c1 1839452923 DRTZVGWKKKSGAQ-CJFMBICVSA-N 469.586 0.573 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)c1 1839652297 XRZKYSLSTGMKDJ-QHCPKHFHSA-N 451.483 0.757 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839692794 REFPSWUUNLNWLM-MHZLTWQESA-N 474.561 0.892 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnc4C)CCO3)C2)c1 1839715015 BLBZEHCMGVPTDE-HSZRJFAPSA-N 453.499 0.842 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3C[C@@H](NC(=O)OC(C)(C)C)CC4)C2)C1 1839808415 ZSXYQIITIANDCB-FYSMJZIKSA-N 488.541 0.760 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)NC(C)=O)CCO3)c(C#N)c1 1839878668 DHRZJKMVPYGJEX-WAIKUNEKSA-N 458.515 0.090 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)=NO2)C1 1840002637 BMXLLCDMWMKZCB-DHIUTWEWSA-N 491.545 0.512 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cc5ccc(C#N)cc5)C4)C3)(C1)C2 1840003822 MPEUHSXHIOWUNQ-DDJHWDJXSA-N 467.522 0.900 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(Cl)c1OC 1840040318 JNZWKWPELJSXHZ-NRFANRHFSA-N 466.874 0.515 30 20 JCED Cc1cc(Br)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043859 XZJOOMLLCQLSTC-HXUWFJFHSA-N 465.300 0.916 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1)c1ccc(O)cc1 1840219362 KJLFTWKUAPSHQI-KNOQFWTLSA-N 471.554 0.857 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cccn1)CCO2 1840445442 VKRPWJPVTYADQG-JXQFQVJHSA-N 489.573 0.817 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812446 REYIVSQPBVAATP-UUOWRZLLSA-N 490.557 0.715 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840835362 KDHIXCOKXMBIMT-JPYJTQIMSA-N 463.531 0.339 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1840906771 JYLWXZDKWVPQIL-YADARESESA-N 494.589 0.228 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1840909362 YJZXPVQOIDYDGT-KOSHJBKYSA-N 479.574 0.665 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841961162 CWKITASHJRDYMI-HOTGVXAUSA-N 475.546 0.485 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1845131870 AMPCUKPPUODCRD-DLBZAZTESA-N 463.579 0.479 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847105080 DCBIZSISIAGEBY-SFHVURJKSA-N 484.557 0.866 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 18760280 UIKLOWUADGAMFY-QHCPKHFHSA-N 498.517 0.981 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc(Br)c1O 436794552 BVJRYWLWABGSPI-UHFFFAOYSA-N 480.340 0.285 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(C3CC3)c2=O)cc1 501171196 DZRQJAZYSKCBJG-HNNXBMFYSA-N 457.552 0.924 30 20 JCED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 507571105 TYNFRDYDHFVZCK-UHFFFAOYSA-N 451.486 0.865 30 20 JCED C=CCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3cccc(S(=O)(=O)NC)c3)cc2C1=O 519139417 MCVYWCCBLRQOON-UHFFFAOYSA-N 456.480 0.745 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 603263821 NUQACVAOPCSIET-UHFFFAOYSA-N 457.512 0.742 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc4c3OCO4)c2=O)c1 726581177 OXKHNVZLNMFGMO-UHFFFAOYSA-N 485.521 0.971 30 20 JCED COc1ccc(Br)cc1C=c1sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c1=O 727163788 INWOJFYQHNEKCU-UHFFFAOYSA-N 483.369 0.257 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC(=O)NC(C)(C)C)c1 728144465 AXZHURRDWMRZQG-LFVJCYFKSA-N 451.549 0.859 30 20 JCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 731127111 UHKVPXIJKRANEM-IAGOWNOFSA-N 464.544 0.135 30 20 JCED Cc1nc(SCC(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)c(C)c1C 834313537 PHWCZXNCDICFPZ-QGZVFWFLSA-N 480.612 0.845 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC[C@H]3CCCO3)cc2)c1=O 838281033 WXWQNLBWLDPUTQ-LJQANCHMSA-N 469.563 0.896 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCn3nnc4ccccc4c3=O)CC2)o1 915381897 LIQSTZZZMQENSN-UHFFFAOYSA-N 451.443 0.242 30 20 JCED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 919664341 DJBHTTIRGRMYQK-INIZCTEOSA-N 451.501 0.330 30 20 JCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(CC#N)CC1 1116005547 HHACTRUPZOUKBB-KRWDZBQOSA-N 477.008 0.526 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1303809522 PRSSSDUWIJUMOV-CQSZACIVSA-N 454.578 0.831 30 20 JCED CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1313999488 NAJHYQFUUZMACM-HSZRJFAPSA-N 468.562 0.647 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1360240298 FNCNVLSMYLAXDX-WOJBJXKFSA-N 485.637 0.536 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN1CCOCC1)[C@@H]1CCSC1 1468562618 XUTVPVXWGXREOH-FUHWJXTLSA-N 452.602 0.891 30 20 JCED CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1540938188 VYCCAEFSIUNAQY-PGRDOPGGSA-N 472.571 0.671 30 20 JCED CCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)o1 1546360117 IOGCBQRFNYIQNN-HOCLYGCPSA-N 462.580 0.972 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)CCO1 1555993167 JTZVXAVZSGKBQA-IAGOWNOFSA-N 450.565 0.702 30 20 JCED CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)N1CCCC1 1694363920 CMKMDKHUCVNLTQ-ZHALLVOQSA-N 464.640 0.939 30 20 JCED CCN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1695567416 LETVAFUIUWITSC-KRWDZBQOSA-N 496.615 0.634 30 20 JCED CS(=O)(=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CCC1 1730992425 UMAPXOUDAPWERD-CQSZACIVSA-N 464.573 0.966 30 20 JCED Cc1cc(C)n(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)n1 1742723464 YMOXHNRUPQKMCC-YLJYHZDGSA-N 480.570 0.957 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1747447596 IMQLFKMUVDXWPX-UHFFFAOYSA-N 452.562 0.237 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(N2CCOCC2)CCSC1 1751206203 QVVCKXPNJSNANX-BXWFABGCSA-N 471.653 0.835 30 20 JCED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1=O 1771127453 MLJGTIZJYASSLT-QGZVFWFLSA-N 460.560 0.792 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1778980050 QLRFHFDDOPRNPM-SBUREZEXSA-N 469.579 0.931 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)CCOC1 1779018693 CBEPKUSPYBCRSZ-ZDDFAFCGSA-N 493.605 0.972 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1779072261 IFPDNDJJOWLMQE-NZQKXSOJSA-N 457.483 0.805 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779423196 IHOSIVQBIJTTBQ-QYYJJQLBSA-N 470.523 0.094 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1780051374 CLJNRSQNBHAAFJ-IYZQMXKPSA-N 450.499 0.774 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C4)c2c1 1781204289 XWUWRASDKXCTAE-YGKZAACZSA-N 479.497 0.160 30 20 JCED COC1(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)CN(C(=O)OC(C)(C)C)C1 1782010169 GGOTXTLFGJFHKO-UZUQRXQVSA-N 493.557 0.614 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783119643 OJCXYNWHRAXOSG-PONJGIIJSA-N 452.552 0.797 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783168176 ZKQYQGWSGSAGLA-MCFFVMPBSA-N 450.536 0.422 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783604054 YWLGTUFPQUOBGF-QRQCRPRQSA-N 464.519 0.576 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1)C(C)(C)S 1783779213 BFPRJEKTBBZCDJ-JCEJCQQGSA-N 498.646 0.944 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)C1 1784383147 RPRRXXUQPHYOJX-WHZJULEDSA-N 475.586 0.997 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@H]4NC(=O)NC4=O)[C@H]3C2)c1 1785150234 ZUBCEOHFHYQFEG-OKYOBFRVSA-N 453.499 0.069 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2)NC(=O)OC(C)(C)C 1785308300 YOBSWHNGIROBMF-LJFZDNNRSA-N 496.605 0.326 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1785367593 YGNFCAWQHCMJOR-SAHWJRBASA-N 462.547 0.738 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1785571212 BNVUAEFEJUWYHX-WCJKSRRJSA-N 450.536 0.244 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]32)c(O)n1 1785774243 XJRXPYHURCVDFQ-FZDIXFNVSA-N 459.547 0.092 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786844547 OMRBNDDCFMCNJB-JCHKBEJOSA-N 490.605 0.275 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787151923 LXJUHZFGMWMDAS-FTRWYGJKSA-N 499.549 0.382 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3ccccc3C(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1787391179 BBAYKEOLKWDSOZ-WJMWBRGCSA-N 498.580 0.834 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C\C(=O)NC4CC4)[C@H]3C2)c1 1788495315 VVQCXWOEETYYSR-FVRQSISCSA-N 452.511 0.995 30 20 JCED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)cn2[nH]cnc(=O)c12 1788679789 MUOFTJHBUFXXTC-OBJLEEPSSA-N 466.498 0.636 30 20 JCED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21)c1ccccc1 1788704569 FTIGTETXUDJCMG-FCMAGTKHSA-N 466.538 0.761 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4sccn34)[C@H]2C1 1789138684 POYGDRFTWRSXNW-NXNVCVFFSA-N 460.556 0.922 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC[C@H](C(=O)OC)C3)[C@H]2C1 1791239937 XQXOJKJDIRJKFA-IRSCDUKUSA-N 461.559 0.804 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)C2 1792484833 WKEBRKJFBJWWMK-YWBVRPMESA-N 462.547 0.444 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1793342860 WTQQYPXCDHRHKD-OYSTVDSJSA-N 465.547 0.250 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1793343004 FWXZMDOKBWLART-XRNRSJMDSA-N 479.574 0.232 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1793349208 KKYFJEBERWFUGS-ZSBFGKGUSA-N 452.533 0.024 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1793598671 CCKDFTVMRHKODR-BASYENTBSA-N 461.519 0.443 30 20 JCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)c1 1793610978 ITAWCOHIJCFNBZ-NHKMSHSESA-N 450.495 0.396 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1 1794226237 DRUOXVOKEYKMBI-GPVSGQMNSA-N 465.462 0.245 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794266287 ZEENFNRARAGVFH-MVJTYMMSSA-N 487.557 0.853 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)N(C(=O)OC(C)(C)C)C1 1795391416 XHDJLMGEYPQHNF-OYNZLANYSA-N 462.547 0.420 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)[C@@H](O)C1 1795599508 OIZNIXJDUSSEFB-PJVZLEMVSA-N 493.605 0.086 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796074144 DZQPZJIWQQCWEP-CYGHRXIMSA-N 455.602 0.784 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O 1796321237 REZUPARJKJAVLB-MTHXSQLBSA-N 493.605 0.720 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COC(=O)C(F)(F)F)ccc1F 1797655202 GKWZAMLLGUVKNJ-ZSBFGKGUSA-N 457.380 0.935 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2 1797709955 CUGDZJUNTKXVON-ADHGMGHFSA-N 469.579 0.689 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744511 XHVLDYAESXTQAV-FFECZHCKSA-N 481.594 0.589 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1799093663 NFPBOFSTWOLMOF-ZJPYXAASSA-N 497.577 0.954 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CNC(=O)C2)C3)CC1 1799236580 RWFQAEOSWFUIFG-VXIBKDFQSA-N 489.573 0.253 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cncc(S(C)(=O)=O)c2)C3)c(C#N)c1 1799239129 YAOOADZNXYURHZ-BBIADKPPSA-N 498.561 0.811 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CNC(=O)C2)C3)cc(C(F)(F)F)c1 1799786895 INWZISBEIZLGIB-ZXFNITATSA-N 450.417 0.916 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)c1 1799883657 XOIHIBOEXWMWNX-CWPLJXCYSA-N 494.533 0.750 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C 1800825197 VUUMUERLIVQNPO-SVKAJCTQSA-N 495.617 0.910 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N(C)CC)C2 1802128124 OSBRNMRRXSCGBB-OYSTVDSJSA-N 450.580 0.833 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)C(=O)C1 1802188190 OGDNEZFVFSCASI-HGKCTWBKSA-N 477.562 0.205 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807738910 XJVGYPIMYFLXNA-OXQOHEQNSA-N 499.597 0.835 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2c2cccnc2)CC1 1809672785 WATPAKPJWOUTTH-NFBKMPQASA-N 463.542 0.765 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1819847924 AXABWVVBTSWMBO-MRXNPFEDSA-N 464.588 0.040 30 20 JCED CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1)C(=O)C(=O)O 1821716125 XZKKFTYUECZZBJ-ZQJSWBPRSA-N 464.479 0.474 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822995607 PLCKYWBBWGARSL-DZGCQCFKSA-N 466.560 0.981 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829123187 DSIKCZCUTQSRNC-MHECFPHRSA-N 475.542 0.322 30 20 JCED NC[C@H](N)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCN2C(=O)OCc2ccccc2)C1 1829133849 VPKFYNYHCMAZOA-RAUOJAJZSA-N 496.568 0.437 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628637 RXOGJBVHGKLBAX-QFIPXVFZSA-N 463.556 0.382 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1830393466 OPVUVVQWOCVZNQ-ZWKOTPCHSA-N 465.547 0.970 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830592303 NSAQCDZOUFSUKS-XRCYNCOPSA-N 465.547 0.130 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)C1 1831386640 HSQBHUMPOBCERH-ZQAYVECASA-N 450.532 0.461 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1831391624 DNCMSNYOQAIZLF-KBMIEXCESA-N 469.538 0.527 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832878154 WPKSJOLUWQCECL-HTAPYJJXSA-N 463.535 0.392 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834572165 QOHWBQMKICKKEM-LJQANCHMSA-N 498.646 0.519 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)CN5CCNC5=N)CC4)CC3)c2c1 1834705796 JKNCJYFALBORLZ-UHFFFAOYSA-N 477.573 0.460 30 20 JCED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)C(=O)O 1834739708 NCXNQEGYTRVNJC-JWGRYVKWSA-N 450.584 0.092 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835510748 DFTSTPYGOBBGTC-UHFFFAOYSA-N 491.633 0.232 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642580 RSOXHRCGEODFHL-NTKDMRAZSA-N 480.606 0.879 30 20 JCED CN1CCN(C2(C(=O)N3CCC(N4CCC(NC(=O)/C=N/N5CCCCC5)CC4)CC3)CC2)CC1 1835731587 HVPAVIQIDNMIRH-SZXQPVLSSA-N 487.693 0.810 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731898 PZTONBHMVXDXSJ-QVWJKXSPSA-N 458.611 0.958 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835753411 OKPCGUWDXNOEEN-LJQANCHMSA-N 475.634 0.964 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836111253 MNMHVVHQSBIHLN-IIBYNOLFSA-N 450.561 0.598 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1836214311 ZNOLMFNOOZFVDD-GSRZOBFVSA-N 497.589 0.404 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(C(=O)OCC)ncn4c3)CCO2)C1 1836254002 PJVPVVARKPAOMN-CJAUYULYSA-N 498.536 0.619 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836260467 ZDBPKOVPEVXADK-GOSISDBHSA-N 474.486 0.120 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1836861599 ZFAIDAVPQUDHGV-APWZRJJASA-N 467.563 0.866 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc6nncn6c5)CCO4)C3)c2c1 1837019785 NEFOIONAADUKFR-DEOSSOPVSA-N 486.492 0.861 30 20 JCED COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)c(C#N)c1 1837046320 ALINBXQBSQXTPG-UHFFFAOYSA-N 497.552 0.660 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837242960 BZRQEHBSMUYGHT-UKPGIYTDSA-N 451.520 0.926 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837401243 WJANFPPIGRLSKO-KZULUSFZSA-N 461.441 0.467 30 20 JCED COc1cncc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837441149 UULWDARDCMGKHG-RGXRWQALSA-N 473.574 0.951 30 20 JCED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c(F)c1 1837524295 DXGGFDZTFZUGLE-VCGLIYPTSA-N 480.493 0.828 30 20 JCED CCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527847 YBADOGCLCPZMHW-OMJZWIOZSA-N 450.492 0.836 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Br)c1)CCO2 1837810442 LWIVXKIRXIQBAF-VKUXZERMSA-N 493.358 0.773 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1 1838830652 KUXRUGYCPZGOFU-DHNIJCFSSA-N 460.535 0.417 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1839364327 YPMPVKZMZPKNOU-FQEVSTJZSA-N 468.432 0.501 30 20 JCED CN(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1839401101 QSFRLNFGWDYJOL-HXUWFJFHSA-N 465.348 0.952 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476304 HDGNHXNTXFNWEQ-AOMKIAJQSA-N 484.546 0.890 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)cc1 1839779899 SJJFWTVRSMPBHT-REWPJTCUSA-N 475.567 0.524 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)C2)CC1 1839896909 KSVSANDQTLSAEF-HXUWFJFHSA-N 496.442 0.995 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)c(Br)cc3F)C2)C1 1840043803 VAGYLXXQCUSBEJ-LJQANCHMSA-N 487.253 0.885 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1840167507 UPTPRJAZBWKUJS-QHCPKHFHSA-N 462.568 0.893 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c(Cl)c1 1840234507 YETXIZVWILJSFY-ZHRRBRCNSA-N 460.918 0.808 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840365270 FGIMDQDUUMBGDB-AVRWGWEMSA-N 479.537 0.922 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OCC3CC3)c(F)c1)CCO2 1840780628 ZOPQZTDVKQPMDH-QHCPKHFHSA-N 460.458 0.773 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc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c3ccccc3C#N)CC1)C2=O 18038937 JCLSKYRPOCFZNT-KSFYIVLOSA-N 473.555 0.892 30 20 JCED CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 104804731 YVFXRKHXVMBLBA-INIZCTEOSA-N 474.630 0.452 30 20 JCED CCN1CCN([C@H]2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)CC1 503593628 BBMUKQLEXJIHNQ-NRFANRHFSA-N 474.631 0.103 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 516029672 MGSRVYBKPLOOSE-NRFANRHFSA-N 499.593 0.802 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(OC)nc1 524234575 ZOLJRBFSDBWPOC-UHFFFAOYSA-N 476.514 0.894 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 524281375 SVDHLDXTXLSWHS-UHFFFAOYSA-N 463.581 0.586 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(=O)N(C)C 604269839 FMWJOHLNBQHUSN-UHFFFAOYSA-N 463.563 0.821 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(C(N)=O)cc1 608828713 JEFZYGKHDTXDAC-UHFFFAOYSA-N 474.542 0.962 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cccc4c3OCCO4)c2=O)cn1 608884483 UBPBDKBIRNSZGM-UHFFFAOYSA-N 476.514 0.855 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CC(N)=O 608912168 OIGWQGWOKOVEPW-UHFFFAOYSA-N 474.926 0.015 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 729281678 MEDHNXOLCUVNLZ-LJQANCHMSA-N 462.572 0.041 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc(F)c2)c1=O 729673597 XCZGTPQMXSFOIS-UHFFFAOYSA-N 463.556 0.655 30 20 JCED COCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 844253793 AKARLECZTLCSKY-UHFFFAOYSA-N 491.508 0.813 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 849133279 LVEHZVPXWIQSNT-UHFFFAOYSA-N 494.570 0.866 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(C(=O)C2CC2)CC1 918818838 DRHZCBVABRPLEU-UHFFFAOYSA-N 462.528 0.129 30 20 JCED CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 919318229 GNKHFQSRKMGHOH-UHFFFAOYSA-N 475.508 0.596 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1502309968 PZJCQGPCVJKSPJ-GGPKGHCWSA-N 493.682 0.091 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(F)c(F)c2)C1 1505139632 ROSTVYBAAKXZOY-MAUKXSAKSA-N 482.513 0.861 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507868848 PEMMUXIQMAWVSW-QWHCGFSZSA-N 455.990 0.233 30 20 JCED COc1ccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1518339064 OUQXURYTDWTWFX-WMLDXEAASA-N 450.521 0.705 30 20 JCED C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1)c1ccccc1 1539767238 NXEGTTHXSVCZKQ-ROUUACIJSA-N 460.560 0.636 30 20 JCED COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1)OC 1555251802 OKWCFFKATODRKK-HXUWFJFHSA-N 453.547 0.879 30 20 JCED COC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1618887532 DPFMVAFMEWGXGJ-MAUKXSAKSA-N 494.622 0.543 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)NCc3cccc(C(=O)NCCN(C)C)c3)CC2)c1C#N 1678534379 YZXFOMBYJMPXNS-UHFFFAOYSA-N 452.563 0.923 30 20 JCED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1710732261 YSAXDQUMZZAJQX-IBGZPJMESA-N 468.562 0.903 30 20 JCED CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766363102 WAWYFDZMFHCOED-UHFFFAOYSA-N 451.535 0.586 30 20 JCED COC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1770755883 IWUFKOBWVMRJEZ-AYOQOUSVSA-N 478.575 0.999 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCOC)CCO2)C1 1778922358 ZEVOVZJTTJVENL-HXOBKFHXSA-N 498.577 0.658 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CCO2)C1 1778974312 YFCJZTKICOCDIS-BXKMTCNYSA-N 480.525 0.587 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1)c1ccccc1 1779189696 WNUIDLYDOUVAGR-RDGATRHJSA-N 457.571 0.300 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)CCO3)c1 1780176396 VBLCOHBSEWKDJI-QPPBQGQZSA-N 480.525 0.481 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1780438224 GOSYUSDDGCGOMH-QMHKHESXSA-N 475.546 0.789 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)C2 1780738611 RYTUDVPZRCBBCT-FQELHTAISA-N 455.508 0.074 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1781292186 UIQSMAAXJVBTFK-NXHTTZLHSA-N 493.561 0.274 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1781295768 PKLDIXGJKXPDGM-KOSHJBKYSA-N 489.573 0.933 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1)NC(=O)OC(C)(C)C 1781319893 GQGPSBDKLBNHMF-HTAPYJJXSA-N 455.552 0.685 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3c(Br)cccc3n1)CCO2 1783565480 VAGJVRFCKXQCBU-LJQANCHMSA-N 461.272 0.628 30 20 JCED COCCOCCOCCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1783666422 MXOWAPQTFWUKII-BIDSZKBNSA-N 471.551 0.415 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CC)NC(N)=O)CCO2)C1 1783766264 IMPPPEFFFAJPTE-WJONJSRFSA-N 467.567 0.733 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1784521417 GKYZPHCPTIQCQM-HYJFEMIMSA-N 463.556 0.597 30 20 JCED C[C@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1)C(F)(F)F 1784912029 FORWXKABWKPSIZ-YFBYITSOSA-N 468.322 0.635 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)c1ncn2nc(N3CCOCC3)ccc12 1787176082 JUAPUWSUTFUILU-ZJOUEHCJSA-N 478.553 0.573 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1788661180 DWRQDENZANOERZ-ZPNJTCSRSA-N 464.441 0.174 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790329349 DVRKXYDEEZOYGN-YZZRYBLGSA-N 498.540 0.871 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792147460 RQBAXJVEUGJIBZ-HUUJSLGLSA-N 458.515 0.068 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1793358540 LIUNODPGHLCLRI-SCNOPHJPSA-N 457.487 0.473 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1793359040 IWVINZXQCRKHGO-UYTYNIKBSA-N 455.552 0.443 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2 1793599991 OFALJTMMFILLML-ZMMAXQRCSA-N 452.552 0.572 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1793668974 SVLHRTFINVUEGS-LVQVYYBASA-N 457.593 0.656 30 20 JCED O=C(c1nn[nH]c1C(F)(F)F)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793730563 NIUFCNUIGNUAMR-KVSKUHBBSA-N 477.293 0.382 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNCP(=O)(O)O)C2 1793832117 VJBCQWNJXHMXMD-QKPAOTATSA-N 474.495 0.819 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795416477 WDILYCSDDAGQNR-SNAYSGTLSA-N 470.592 0.542 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC(F)(F)C1 1797179241 JUMPIYYYGSROAA-ZXFNITATSA-N 485.484 0.556 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1 1797250055 LUFOXPOFSMYAGC-IRMYBRCSSA-N 463.538 0.991 30 20 JCED O=C(Cc1cn2c(nc1=O)SCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1799073647 QIMVGBJHBBVTNH-RRGZJZOKSA-N 491.570 0.010 30 20 JCED Cc1cccc(C)c1N1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1=O 1800773298 JIORPPSGICUDIE-AYMMHLMVSA-N 453.495 0.334 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1800982012 UQAYXPQLNXFTHA-VOPHGLLCSA-N 477.649 0.556 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C(F)(F)C1 1801072078 XOYIEIAONDHKTP-UIVXKWKOSA-N 499.511 0.946 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)O[C@H]2C1 1801924417 JECMCOKQWAAWBW-PNVOZDDCSA-N 461.515 0.737 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802087574 NZHDBIJOBZBSHR-CYGHRXIMSA-N 451.520 0.446 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1)C(=O)C(=O)O 1810359625 ZNJAXCJGCGQCDK-MOTITKJQSA-N 475.502 0.159 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1811408911 BGIAGJXWHCKWIQ-YKSBVNFPSA-N 481.553 0.568 30 20 JCED NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1828963618 FXHJVLFUOACQDC-DHVYKCEKSA-N 487.557 0.926 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C3)C2)C1 1829661195 OVNZZYJZQISRQS-HTAPYJJXSA-N 453.536 0.295 30 20 JCED C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1829807610 BEHARKQLKQJOIY-BQYWRPTCSA-N 472.590 0.920 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(C)(C)C 1831088250 WGPWODLNKVFNHG-FDDCHVKYSA-N 465.595 0.275 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)C1 1831391796 VZORCHNVPQWYLO-HOYKHHGWSA-N 458.511 0.843 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)C2)C1 1831403185 YRSHQPHVESSSLV-ZHRRBRCNSA-N 498.985 0.852 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1831438662 URRQNPKYKXOVLE-IQGLISFBSA-N 483.521 0.777 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1832456739 XPFRCYINCSABMO-QHCPKHFHSA-N 472.567 0.923 30 20 JCED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1833509433 JZSREUILMRPCGE-QFIPXVFZSA-N 455.446 0.880 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c(O)n1 1833699994 KFSOAKOKXKSPNA-DEOSSOPVSA-N 468.510 0.923 30 20 JCED COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834128457 CVZUAMCOJHZPBZ-DXLWNWQMSA-N 462.503 0.689 30 20 JCED CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1834411626 XNAXZZQTTDGUQQ-QHCPKHFHSA-N 453.499 0.924 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(N5CCOCC5)n4)C3)C2)CC1 1835341799 ILPAEKGZXBQKFN-HSZRJFAPSA-N 455.515 0.292 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835362497 MIOJSICLIXGKDB-JJEOQYAHSA-N 480.562 0.507 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CSC(=N)N)CCO4)C3)c2c1 1835513996 UJGLRDGMDJDQFK-HXUWFJFHSA-N 457.516 0.131 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c(Cl)c1 1835514063 YYJNJIJSIWNPKK-IBGZPJMESA-N 451.936 0.908 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1835645055 PLGKTDVIZDDLGF-BEFAXECRSA-N 455.556 0.423 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1835673094 WBELUTFKANARRB-XMMPIXPASA-N 481.557 0.619 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1835674751 LOMSFQXWSYRUHB-PXDATVDWSA-N 469.586 0.439 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835972258 NTRJLHMUVRKOCM-FQEVSTJZSA-N 452.943 0.275 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)Cc4cn5c(nc4=O)SCC5)CC3)CC2)c1 1836170488 RRFLJMCHVUANNL-UHFFFAOYSA-N 495.609 0.977 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3ccc4ncnn4c3)CC2)CC1 1836340501 ZGFYAHWFHJNXIU-SFHVURJKSA-N 452.559 0.882 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836362206 PGFZJTFOYIBUBC-ACRUOGEOSA-N 491.633 0.197 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)c1 1836419155 VMSOEYIEHFYRFN-JOCHJYFZSA-N 456.430 0.887 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837444157 QIGCMQAFNJVURC-CYBYPBRWSA-N 459.551 0.205 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837488559 JXKXKLAJZOOMQB-JOCHJYFZSA-N 462.934 0.899 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837492388 HCFSXZBYBGELEB-XMMPIXPASA-N 485.516 0.637 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nc1 1837524435 HTPHFCRMXFRLOI-FPHRNUPISA-N 475.546 0.747 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837526333 CUIVUWJRJJETQT-BMECOTGMSA-N 452.533 0.671 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837528271 CPHIFZRGLROCFJ-SUGVQOHVSA-N 479.534 0.129 30 20 JCED CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)C1 1837531102 CSYBISUDUOHLFL-HZCBEHAQSA-N 452.552 0.314 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837730999 KLMATARLXUQFNZ-HEFNZMQWSA-N 479.555 0.095 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838063128 UVCKEYOFKFHTHW-OYHNWAKOSA-N 479.534 0.655 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1838840738 FWCSIJCBGAALCO-GAJHUEQPSA-N 463.531 0.742 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)CCO2)C1 1839036079 PRTWVDKULOLXQJ-RHGYRFJNSA-N 477.533 0.992 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)ccc1Br 1839079430 QPWVMWSIKXXDCI-DJPFJPOOSA-N 493.358 0.114 30 20 JCED C[C@@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131154 PHODWBUCYXYALE-UZUQRXQVSA-N 480.562 0.364 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1839174680 RNJKLULBYJBJIP-HSZRJFAPSA-N 475.498 0.432 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cccnc3)C2)C1 1839174822 YTKWKUWCUVPPGX-MBSDFSHPSA-N 460.531 0.848 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2)c1ccc(O)cc1 1839237967 MPPKKJMGVDBLAT-GBXCKJPGSA-N 467.526 0.637 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOCCOC)C2)C1 1839844013 BCMNYCJKMCEFJI-ZJSXRUAMSA-N 486.606 0.741 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1839871438 IHRUZDJPGCCFPQ-OHUGHZGNSA-N 469.538 0.482 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1839889006 VZMSCHXEAMPMGV-LJQANCHMSA-N 479.546 0.326 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Br)cc4cn[nH]c34)C2)C1 1840042144 CVTGYHOTJWPEBD-HXUWFJFHSA-N 491.298 0.483 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1840164286 FCKJIIWKFWLCCE-DBPMHTNYSA-N 469.604 0.874 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840363387 VOUSQEQKOOVBMP-VGWWHSQDSA-N 455.515 0.683 30 20 JCED Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840388517 XJGYNIZVPDXBLV-JPDUQLBUSA-N 477.562 0.957 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1cncn1 1840420594 ONOOVMZFQMEAGN-QRQCRPRQSA-N 464.486 0.357 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466901 CRIGQQTWKDIBCS-DVECYGJZSA-N 489.573 0.336 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1840714769 GQDATJIZRFAEDD-MWTRTKDXSA-N 467.530 0.717 30 20 JCED CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c1 1840789705 BYYGFKFNDORRAW-LJQANCHMSA-N 455.920 0.727 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1840819602 VNTCETPNJPOZPX-XMMPIXPASA-N 476.493 0.750 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1840906892 LEPPFTBIWZGIDP-GAJHUEQPSA-N 463.531 0.339 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)[C@H](O)C=C)C2)C1 1840908525 CBEHOZHTTNPJHY-OSWQYVSFSA-N 493.601 0.933 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)(n2ccnc2)C1 1845870163 REPPXRYLHAWDLC-QHCPKHFHSA-N 471.514 0.511 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846555762 ODAIBFYOBFTNAW-KRWDZBQOSA-N 469.498 0.430 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC(=O)NC2=O)c(C(F)(F)F)n1 1848068127 PXFQQWCNQMUQAH-STQMWFEESA-N 450.377 0.339 30 20 JCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 506545000 GYGNPKOHZCHHFO-IRXDYDNUSA-N 493.586 0.782 30 20 JCED Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n([C@H]2CCS(=O)(=O)C2)n1 515105394 RPNRFXZEJAZLFA-KRWDZBQOSA-N 492.583 0.961 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(OC)nc1 549746598 ZXLHUDYTMWRXGZ-UHFFFAOYSA-N 494.529 0.355 30 20 JCED C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 604046691 KVNKHJYWKCWBLR-CQSZACIVSA-N 468.582 0.820 30 20 JCED C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 729789662 KXKVXXKYGRPOCS-ACNSNUFOSA-N 451.549 0.275 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 749504175 CSHRLAICUFIRBK-UHFFFAOYSA-N 487.534 0.787 30 20 JCED COc1cc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)ccc1OCC(=O)O 916333651 ZEMIUIDUARDHIT-UHFFFAOYSA-N 463.516 0.936 30 20 JCED COCCCNC(=O)[C@@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 916874966 IRGAOZNTAPNARX-KRWDZBQOSA-N 491.570 0.388 30 20 JCED N#Cc1ccccc1OCc1ccc(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)o1 917327382 IQEJWIBDGLGHFK-AWEZNQCLSA-N 461.452 0.900 30 20 JCED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 919398313 ZQIKBTQBAUTTBL-UHFFFAOYSA-N 450.254 0.448 30 20 JCED C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1288714767 MYGKDVYEGHNCOP-GOSISDBHSA-N 474.587 0.932 30 20 JCED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1299295751 JNYMSORKYDXETF-UHFFFAOYSA-N 487.586 0.983 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CN4CCCC4=O)n3CCCC(=O)N(C)C)CC2)c1C#N 1304732773 TWOBKGOXFTWTKE-UHFFFAOYSA-N 482.593 0.509 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1555817994 MPGAAWBNZGJPRH-AWEZNQCLSA-N 455.338 0.986 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCOC1 1611705377 RLPVSOHFMIADDG-BTYIYWSLSA-N 493.565 0.377 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 1690228974 KDVJKSNYEKBQAI-STQMWFEESA-N 450.359 0.745 30 20 JCED Cc1ccc(NC(=O)c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1C 1693114616 BKHMKOJHUJKCJD-IBGZPJMESA-N 486.602 0.873 30 20 JCED CC1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1693714755 UWFYUSPZQOFXKL-QRVBRYPASA-N 481.623 0.460 30 20 JCED COc1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)ccc1OCCO 1711664179 ZJAYVAHPVMHJIM-KRWDZBQOSA-N 456.503 0.671 30 20 JCED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c(=O)n1C 1724359693 WLGOBJGRGUBEOD-PBHICJAKSA-N 463.564 0.262 30 20 JCED Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)n[nH]1 1751792262 XWMJPANHQKCYEQ-UHFFFAOYSA-N 478.561 0.608 30 20 JCED CCN(CCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)S(C)(=O)=O 1766875385 RNOWXQKJTFEWLW-SFHVURJKSA-N 478.623 0.249 30 20 JCED N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC(=O)NCC(F)F)CC2)c1 1770741146 YOHASIYAKLCZDX-HNNXBMFYSA-N 494.528 0.155 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CC3(OC)CN(C(=O)OC(C)(C)C)C3)C2)C1 1778136704 PTBGITVNBRDVGA-FDDCHVKYSA-N 479.574 0.881 30 20 JCED O=C1NCc2cc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)ccc21 1779103062 NAPUJEVIKUVEPU-SJAQWOJPSA-N 456.499 0.903 30 20 JCED O=C(COC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1779276810 RMZZAJHQJJYFSE-YMTOWFKASA-N 496.332 0.961 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)COCCO)C3)C2)N(C(=O)OC(C)(C)C)C1 1781321381 KQXRZMXNXLCDEH-JTSKRJEESA-N 453.536 0.391 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783226988 XMZYCUDWSPHEHD-OMXJDXKCSA-N 495.529 0.045 30 20 JCED Cc1cc(O)c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1Br 1783563482 SBNJOIVTUOVBMQ-LJQANCHMSA-N 451.273 0.995 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783991480 ZMVMXDDRUDUNAL-ICUGJSFKSA-N 455.552 0.443 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3CS(C)(=O)=O)C[C@@H]21 1784501739 SVZUSMJHKFQGJL-JMVFIXPQSA-N 465.572 0.811 30 20 JCED CC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1784529029 MYZIZZIEUGFCOI-IEZWGBDMSA-N 452.515 0.943 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1785304979 QJLRJUWGEINETO-AXHZCLLHSA-N 496.605 0.827 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1)NC(=O)OC(C)(C)C 1786707424 IZBJQRHYSBCLJV-NXOAAHMSSA-N 466.535 0.726 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)c1 1786979360 ZIWKMPZPJYSBMK-IEZWGBDMSA-N 461.482 0.505 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3ON=C(c4ccccc4)O3)[C@H]2C1 1788517041 DZQDHVLNRPPRJM-XCJUWTOUSA-N 468.510 0.559 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21 1788565451 KSNYDVPCURXOBG-QHERXFFYSA-N 457.531 0.868 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C(=O)O)ncn4)C[C@@H]32)c(C#N)c1 1789840248 SJGVRGLLWAEHCX-XERREHJYSA-N 479.493 0.891 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1)C(C)(C)S 1789918693 PEZUNFLDRNOJAR-NBOOPKSLSA-N 489.635 0.577 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)CCNCC4)[C@H]2C1 1790618724 MVWZKRLRQZZTEB-XODARUQUSA-N 456.587 0.936 30 20 JCED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1790831761 HYWBMBDURCNYMJ-ATIWLJMLSA-N 466.579 0.947 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21)C(C)(C)S 1791192298 VBPWLMTWKHTJDK-NBOOPKSLSA-N 496.634 0.860 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1)[C@H]1SC(=N)NC1=O 1792146366 NPSSDCSVSSQDOD-IUDRFFSFSA-N 485.566 0.719 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnccn3)C[C@@H]21 1792255452 NZYPWQAHQDNJKZ-FFGOWVMKSA-N 471.558 0.915 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1792258476 GMHAUMICESYZDH-VJANTYMQSA-N 474.562 0.565 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2 1793339942 BCWZAFGMCNJTOD-GNBUJSLZSA-N 467.563 0.546 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1793340645 CJVWSEXCBSUSRA-DAUOMPHXSA-N 479.574 0.232 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(C(=O)OCC)ncn3c1)C2 1793342473 HDJMUOKUIGEDRM-PHXBYCTMSA-N 468.510 0.753 30 20 JCED COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cc1 1795603071 WHTILIZXXZHIKB-RMFSNUHRSA-N 472.542 0.723 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccnn2)N(C(=O)OC(C)(C)C)C1 1795894421 QKPMQKWECFSBLQ-ZMMAXQRCSA-N 460.535 0.433 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)c(C#N)c1 1796441415 NRTMYDGDDACDIN-BBIADKPPSA-N 490.582 0.125 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1797740389 GJPBSPMLQGVNSI-DOAQDYOKSA-N 459.591 0.839 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1797783498 VQTPVDSGLWWJLH-UPHUGPLXSA-N 455.511 0.755 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1797872605 DMUPBXTVPDBDIZ-NTNQKNOYSA-N 466.473 0.509 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnncc2C(=O)O)c(C(F)(F)F)n1 1798095077 CIHSYWADGCKTGD-CULMDFNYSA-N 490.398 0.977 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnncc3C(=O)O)c2c1 1798102743 RNNKHOFJSXJKGX-IVWMJMPLSA-N 461.438 0.440 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1C(N)=O 1799041526 XZHMWOXPEYERQK-FZKCQIBNSA-N 470.530 0.744 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1 1799055299 KZUZWVDUASVXAL-JPNCOXSSSA-N 496.612 0.895 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1799332894 CNVLQUDZXUTIPJ-NHWFWODHSA-N 481.590 0.833 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)OC(C)(C)C)C2 1800723819 ORHFJPVAEXJPPG-ZMMAXQRCSA-N 497.614 0.576 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1801283929 ZTRPVZLZXWENGF-DAVFGYKESA-N 478.553 0.551 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1801992153 ZWZAPTAWFUBFSX-GPVSGQMNSA-N 474.477 0.243 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCOCCOCCOC 1802098709 YHCXDABDUAQFNS-ACDBMABISA-N 470.563 0.830 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1802126081 BGALILKFMBFLNG-YNVMFWSZSA-N 482.541 0.849 30 20 JCED CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1)C(=O)O 1807206258 USXHWQIVRVMNFD-NYAWUWJSSA-N 461.519 0.679 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1810087532 MNCUDCIXKYGDGG-ONAGFMBYSA-N 459.503 0.010 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)nc3cccnn23)[C@H]1c1cccnc1 1811334478 OFFVHPCJANPLGG-KCLVWISNSA-N 487.520 0.663 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1817316123 AMIBXDQXHXZMPY-KRWDZBQOSA-N 479.607 0.414 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CCCC[C@@H]3c3cc(NC(=O)C#CC(=O)O)n[nH]3)csc2n(C)c1=O 1822202216 KACUUFPNZUCSAF-CQSZACIVSA-N 498.521 0.345 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCN2C(=O)OCc1ccccc1 1828623539 OGXQEVLQJOAIAQ-IEGUWTFLSA-N 457.458 0.885 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCN2C(=O)OCc2ccccc2)C1 1829223540 QNRYMJMNSMQABG-CJFMBICVSA-N 487.553 0.486 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccc(O)nn3)C2)C1 1829332415 KLBNJWVFCVIUND-DEOSSOPVSA-N 493.476 0.336 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)cc1 1829629983 LPTKKUDYBYSMTB-HSZRJFAPSA-N 451.483 0.757 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](C)S)C4)C3)CC2=O)c1 1829639223 FOPMLRKTPRCIRV-SEPYTNNBSA-N 477.583 0.823 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C3)C2)C1 1829661214 PERBXPXAJUFTBF-JPYJTQIMSA-N 467.563 0.685 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1829771275 OYNZDGPPMXQQSU-KSEXMQBYSA-N 471.489 0.402 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1829773825 WUJMJIXIRBFCGM-FUMRIQNTSA-N 488.497 0.532 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1829859256 CITUSVVVRLJXGH-QPPBQGQZSA-N 472.542 0.480 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456203 FOFYEGLMRAYILL-QHCPKHFHSA-N 457.531 0.218 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CCO2 1830886960 PQPFSJQHIRCJOR-XMMPIXPASA-N 497.589 0.414 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1831393937 SHRZKGLPTYAXMJ-NLFFAJNJSA-N 471.554 0.632 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1831399654 YTPBBBYCTLDFMG-SPLOXXLWSA-N 452.891 0.860 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1831412173 FTYQBEDGMHZPQR-DEOSSOPVSA-N 499.605 0.967 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831563237 BYAISYCQEQVONC-ZMPRRUGASA-N 482.534 0.021 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)CCO2)C1 1832353489 FUXFYXLFUMEUGZ-QKKBWIMNSA-N 483.974 0.840 30 20 JCED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc2c1-c1ncccc1OC2 1834758140 GTYGMCSMSFXSPY-HSZRJFAPSA-N 451.483 0.963 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834873293 HKUSZIZEMRWVDQ-LJQANCHMSA-N 490.609 0.714 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1835184709 ZZXQGKAWVSJPQX-QHCPKHFHSA-N 460.552 0.639 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835920648 AVNOGTAHOGBLFX-JOCHJYFZSA-N 456.503 0.256 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836848008 GBHQAMJJRLBTFT-AHAYYNSTSA-N 472.502 0.328 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836979770 ZTEHBSJMLAUNNN-HSZRJFAPSA-N 460.531 0.799 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837156439 AQXQCNBJJHCAQR-HSZRJFAPSA-N 454.531 0.686 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440728 VVTXXARNSBWAJC-DHNIJCFSSA-N 452.552 0.646 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837487495 XZCLFSGPOMKIQB-GYCJOSAFSA-N 490.524 0.795 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837533476 VZGZQDLEMDXHBH-ZZTJDXDDSA-N 477.562 0.875 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cc1 1837560348 OAHXBVKHYJTXOP-LCCCKJFOSA-N 471.510 0.897 30 20 JCED O=C1NCc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)ccc21 1837564217 CULDLUASBSIQIK-YGYQLRJYSA-N 466.494 0.712 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837633800 RTUWEYUSYKNIES-LJBSYDGDSA-N 461.515 0.500 30 20 JCED COC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838404000 JMQKUXIFUGGNGP-VRMLFSPKSA-N 454.524 0.870 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1839130861 YGYYMSGEECGMHB-MIOZMULLSA-N 493.601 0.911 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4CCN(C)CC4)C3)C2)c(C#N)c1 1839131008 HIOFNTAHALYPDP-VWLOTQADSA-N 470.570 0.908 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1839174081 DWTDHFJHQGCDLX-OAQYLSRUSA-N 450.492 0.320 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1839176113 WKUGGESWSXHXMT-VWLOTQADSA-N 487.553 0.968 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186993 CBCZYGGXPMYWDI-JOCHJYFZSA-N 477.562 0.180 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1)NC(=O)OC(C)(C)C 1839195727 FOBICMVIUPNLJH-WZONZLPQSA-N 485.578 0.311 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839274302 REXBUXZBEKBYJF-AVRDEDQJSA-N 463.487 0.944 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(N)=O)C3)C2)ccc1Br 1839401446 IIGHLEPJZGXSED-HXUWFJFHSA-N 479.331 0.656 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccnc5C(N)=O)C4)C3)c2c1 1839487371 FCIOSGZZSGMTPR-XMMPIXPASA-N 489.492 0.312 30 20 JCED Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn1 1839487493 LJQDHIVGWSMZJL-QHCPKHFHSA-N 461.482 0.917 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nc2nccn12 1839549013 OYZQSWLORGAJSR-RWOVVYLESA-N 469.546 0.579 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)ccc1F 1839651566 AUBGZYPIMNUGIP-DEOSSOPVSA-N 483.500 0.825 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1)c1ccc(O)cc1 1839886151 KYJBTENFZKCOKT-PXDATVDWSA-N 471.554 0.872 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)C1 1840157396 NSEHKRUSRUMGSH-QMHKHESXSA-N 477.583 0.542 30 20 JCED O=C(O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1840190447 YCRDWIUWAOMKEU-NRFANRHFSA-N 466.943 0.966 30 20 JCED CN(C)c1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)o1 1840818808 YKTJGBZMUYIYKZ-QHCPKHFHSA-N 469.498 0.761 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COc2ccc(O)nn2)C1 1845773751 UBRWPGUPAWIIOT-OAHLLOKOSA-N 459.503 0.681 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197084 RQBXHRIPVNEGHA-MRXNPFEDSA-N 488.541 0.041 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cc1cnc[nH]1)C2 1846365905 CIHAQKMKWOAQEZ-KRWDZBQOSA-N 490.561 0.961 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1=O 45399124 KVUCFVUUZHPXIN-KRWDZBQOSA-N 454.483 0.679 30 20 JCED Cn1cnnc1-c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 518071122 IHFFKEQDARRMND-UHFFFAOYSA-N 479.522 0.825 30 20 JCED Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)NCC#N 518716837 MHWTZKMJRALEAO-UHFFFAOYSA-N 450.542 0.977 30 20 JCED Cc1ccc(C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1S(=O)(=O)NCC#N 520859493 SOMSACDFPFESEG-FQEVSTJZSA-N 455.540 0.781 30 20 JCED CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 521422424 XUFMRPGCFXQTJV-UHFFFAOYSA-N 462.553 0.955 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(C(N)=O)cc1 522531995 VXILKXGJPGVZNZ-UHFFFAOYSA-N 483.575 0.419 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3cnn(CC)c3)c2=O)cc1 523862659 BFZCFSMGTLKEGR-UHFFFAOYSA-N 451.552 0.943 30 20 JCED Cc1ccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)cc1S(=O)(=O)NCC#N 608868125 AUKLWNPUGCSOJL-UHFFFAOYSA-N 457.560 0.529 30 20 JCED Cc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1S(=O)(=O)NCC#N 608868321 KBHDTAPHQXPXRW-UHFFFAOYSA-N 450.542 0.977 30 20 JCED COc1ccc(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1S(=O)(=O)N1CCOCC1 609153287 MOKORZKGHCCAGV-IBGZPJMESA-N 464.588 0.951 30 20 JCED CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 913300705 UMMHMXMBPORYPY-ZBFHGGJFSA-N 471.557 0.194 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 914756865 CKSVKOSXHVVEPC-AWEZNQCLSA-N 486.510 0.620 30 20 JCED CCOCCCNC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919664912 MVRHRMZIXVOTQA-NVXWUHKLSA-N 463.512 0.875 30 20 JCED CN(C[C@@H](O)CN1CCOCC1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1137220852 WSOGBPNFFRNIOC-LJQANCHMSA-N 450.561 0.110 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286630280 RLTSHJYJRDVMIL-GJZGRUSLSA-N 457.000 0.722 30 20 JCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1359150443 YMQBTTRAUGLXMG-LSDHHAIUSA-N 460.988 0.859 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1360240290 FNCNVLSMYLAXDX-PMACEKPBSA-N 485.637 0.536 30 20 JCED CCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514264226 MLQTXWZKLQBDIR-LQWHRVPQSA-N 481.623 0.339 30 20 JCED N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCS(=O)(=O)N2CCSCC2)c1 1620349558 SBMVJBADTUHWMX-UHFFFAOYSA-N 461.573 0.132 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1698049173 LQLQTEQBLYRIIQ-AUSIDOKSSA-N 453.547 0.820 30 20 JCED CC(C)(C)[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1760808585 XYWQNXPELJBURQ-IPFGDSPKSA-N 476.600 0.600 30 20 JCED CS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1771367828 IHUNXWYYDJCEFL-LJQANCHMSA-N 490.611 0.895 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CC1 1778114553 MLIXSBMVWWALRY-HSZRJFAPSA-N 474.583 0.602 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2Cl)CCO3)CC1 1778356465 KDIQOKDSEYZQSJ-QHCPKHFHSA-N 473.961 0.819 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CCO2 1778884965 BERUMIGUYKFVNC-RGKFVRLKSA-N 490.626 0.765 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1783180155 SSEDCYKBGSWBHX-HAVHLTCRSA-N 464.563 0.810 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783182507 WOBOZJZQGVZOGP-JLDZCNIISA-N 452.552 0.810 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1783454234 SWGLTCGDGIRHFV-UZUQRXQVSA-N 489.573 0.493 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3c(-c4ccsc4)ccnc13)CCO2 1783562079 BBGAGCMLNHCWPQ-QFIPXVFZSA-N 465.491 0.989 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(Br)cc3cn[nH]c13)CCO2 1783565421 SVLYSDQQZPXSJT-IBGZPJMESA-N 461.272 0.857 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783601519 ZGFSFRKQXLFWCJ-QZMQVMSPSA-N 483.562 0.864 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1784012712 ADOLIQASAPUUKX-WCAVRKLYSA-N 452.515 0.967 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784489705 HBELAXJXHVZQJO-JMVFIXPQSA-N 474.558 0.955 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1785575733 CHAMNFOEBBBGOG-VGOFRKELSA-N 450.536 0.259 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1788148746 XXMHUSPWFURNJR-DSFVOBFGSA-N 463.531 0.701 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631435 ONBZNQPQAJOTSR-MUGJNUQGSA-N 493.601 0.550 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)NCc3ccco3)[C@H]2C1 1788718942 NGYPHRGUOAHMAZ-MKTSTNRYSA-N 473.526 0.941 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)nc5cccnn45)[C@H]3C2)c1 1789198146 KTYVOPJRBKVWCO-BJLQDIEVSA-N 458.478 0.868 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1791108601 YYBYMPJSJGPQCA-DZTUFKMZSA-N 457.593 0.655 30 20 JCED COc1cc(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3CC3)CC2)ncn1 1793258429 DISGWRDWQLCRIY-BBIADKPPSA-N 453.543 0.705 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1)C(F)(F)F 1794111423 OQWFBYVLMCMYLC-OHTBPHCPSA-N 456.421 0.701 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(=O)n2O)C3)c(O)n1 1794488495 FURHRDGOIOMWTO-YVWYUNDQSA-N 454.483 0.822 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)[C@@H](O)C1 1795081740 NRLOYPDZOQXMRS-BIWGCHKCSA-N 450.536 0.498 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795084449 UHHSQOZZECYECY-JMCXLBPQSA-N 462.547 0.762 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C(F)(F)F 1799196159 HISQQIFUCBJKRX-DGADGQDISA-N 477.480 0.922 30 20 JCED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799240009 ZLBYRZOBWLTQJM-GQEURGSBSA-N 489.569 0.769 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1799320518 GTIWAPPXMVORII-JTJHWIPRSA-N 480.606 0.768 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(S(C)(=O)=O)ccc1F 1799858088 RQVQHSUZKLQASB-BKEDOTJMSA-N 452.504 0.471 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1800202750 FICDDVCUFDXHLK-WGVRVLLMSA-N 487.520 0.851 30 20 JCED C[C@@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800338432 OMASMIQFPLAQAI-LTAVKLCZSA-N 492.532 0.077 30 20 JCED COc1ccc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c(OC)c1OC 1800774161 QUYVVPCVRFYUMT-KTJLTYNZSA-N 458.467 0.403 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2)NC(=O)OC(C)(C)C 1801930046 LVDYQZHGCALROE-RIUYPTKQSA-N 466.535 0.544 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1c[nH]c2ncccc12 1802063107 DPWBWZLIHGHRJS-NOOKGOPLSA-N 451.527 0.944 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@@H]1c1cccnc1 1802479839 DLBFPMWBSLHCNZ-ZLQADLMRSA-N 460.498 0.697 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc(C)c(O)nc1=O 1804095329 DOGQMFORNVUPMY-MHORFTMASA-N 487.557 0.812 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806698986 BAUQLXSJZMBRTP-UHFFFAOYSA-N 479.643 0.647 30 20 JCED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807023698 IZYUBQIHJNXXJS-PXNSSMCTSA-N 454.464 0.795 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807027831 CDMJSRMFRHJASY-GCJKJVERSA-N 487.453 0.763 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)cc2C1 1812881454 XUHFMZGGXKMQTP-HTAPYJJXSA-N 450.499 0.521 30 20 JCED C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1)N1CCN(C)CC1 1814982197 KVCUPKSOATVWTA-CVEARBPZSA-N 461.636 0.973 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC3CC3)n[nH]2)n(C)c1=O 1815115714 ZLDIUCARXQPMJE-INIZCTEOSA-N 478.513 0.263 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1828581156 ZUNGLINIWHLXSP-KCPMXOJXSA-N 496.564 0.755 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCOCC1)CCN2C(=O)OCc1ccccc1 1828930208 BPCLQDNBQOVYCS-XMMPIXPASA-N 454.527 0.404 30 20 JCED O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828996894 WOGCDVDXDONKCA-ZMPUUUETSA-N 466.502 0.758 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1829267414 XEJJCAWVFQXPFT-XMMPIXPASA-N 477.477 0.874 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)cc1 1829629621 BOYQRTPVTGFSKC-DEOSSOPVSA-N 479.493 0.749 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1829758199 WUAHJEZVKPCEIZ-JCBCYHQMSA-N 468.536 0.179 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)c1 1830457795 FVKATODHIKVPDE-AREMUKBSSA-N 491.548 0.772 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)CCO2)C1 1831141225 FDHUVRKPKNFDRV-BTYIYWSLSA-N 455.577 0.938 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(CNC(=O)OC(C)(C)C)CC3)C2)C1 1831388470 UFIPQQSWSRJHPE-MHECFPHRSA-N 479.574 0.786 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(F)F)cn3)C2)C1 1831391248 LADGQKVDELQGKI-YCRPNKLZSA-N 453.442 0.791 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1831420507 VYESMLLZGIMBDL-CYFREDJKSA-N 499.605 0.965 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1831420582 YMDPDBUXZDGWKT-HRAATJIYSA-N 467.544 0.146 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831462353 ABNDNRDDMNGQCE-BTYIYWSLSA-N 483.974 0.962 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1832000513 RGJYOAQVSSKENZ-IUKKYPGJSA-N 492.577 0.765 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc[n+]([O-])c5)CCO4)C3)c2c1 1833277989 CETFYUUVDGIIBC-QHCPKHFHSA-N 462.466 0.452 30 20 JCED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834760419 CQKWGNLKIAQMBC-PNLZDCPESA-N 450.536 0.859 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834766869 BKWARYXISYVMRA-QHCPKHFHSA-N 458.515 0.462 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837446560 DIDCJVXSRLCUOY-DGEAWOGYSA-N 460.579 0.818 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)no1 1837544411 AHXOYKFJNAEFOI-XLIONFOSSA-N 454.549 0.124 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)Nc4cccnc4)CCO3)C2)cc1 1837630350 RLLRFZNHPNFWSP-XMMPIXPASA-N 463.494 0.856 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2)C(F)(F)F 1838417207 ILKQMIWAAHLLDY-SFHVURJKSA-N 472.445 0.945 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(O)nc2)CCO3)c(C#N)c1 1838651257 MMBRYHLFJARUCC-XMMPIXPASA-N 466.494 0.980 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838739420 RTTLPLWSYVSVKO-HXOBKFHXSA-N 491.545 0.232 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)nn1C 1838834836 BGQKKWMGYBSSCB-QHCPKHFHSA-N 453.499 0.879 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C3)C2)c1 1838905842 BQBUWKQNRYOHKP-JOCHJYFZSA-N 485.522 0.094 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc(C)cn4)C3)C2)c(C#N)c1 1839131825 BELYQVYMTVPNIG-DEOSSOPVSA-N 467.526 0.771 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c(C#N)c1 1839132181 XOGLDWGUUXTTJY-HSZRJFAPSA-N 453.499 0.462 30 20 JCED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839160873 QAYOKEZQUSICRL-YJYMSZOUSA-N 469.420 0.177 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1839174270 QIEPBUIPFJATRU-JOCHJYFZSA-N 465.478 0.809 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)ON=C(C)C)CCO3)C2)cc1 1839222405 MONIGMNEAWXZHF-KPDCDPCYSA-N 463.531 0.986 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839422544 AMKOXKJTBKGNQK-NRFANRHFSA-N 463.922 0.553 30 20 JCED CN1N=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)CCC1=O 1839487559 NKIGFTYJOUJIBQ-HSZRJFAPSA-N 479.497 0.113 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5nc6ncccn6n5)C4)C3)c2c1 1839488431 QXCXBQROLNDPOP-QHCPKHFHSA-N 487.480 0.256 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839648859 MIISZRYETUWGGV-CQUCDXOQSA-N 492.573 0.399 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)CC1 1839895680 OCDMQVNZYJWARK-HSZRJFAPSA-N 455.511 0.900 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)COc5ccccc5C#N)C4)C3)(C1)C2 1840006394 FMKIJAVEXODXCI-DDJHWDJXSA-N 483.521 0.737 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3noc(-c4ccccc4)n3)C2)C1 1840043012 BXYQOGYKVHSBIW-QHCPKHFHSA-N 468.466 0.214 30 20 JCED COc1ccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(OC)c1 1840044823 ZNRFLAQPXGPJOJ-QHCPKHFHSA-N 460.483 0.181 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2)c1ccc(O)cc1 1840233672 XUXKLFKLHIYLOC-YPCDYVTLSA-N 483.565 0.872 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)n1cnnn1 1840478801 BODJFAFCLQJXKO-JLTOFOAXSA-N 459.894 0.529 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1840818409 ANIGIIJAIHCDFW-HSZRJFAPSA-N 453.499 0.749 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1840819623 XCTKHGSQLHIBMA-DEOSSOPVSA-N 476.493 0.750 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1ccnn1 1840820532 VONZUUVDZUKRTE-JTSKRJEESA-N 454.487 0.246 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841961163 CWKITASHJRDYMI-HZPDHXFCSA-N 475.546 0.485 30 20 JCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153552 NTMUCXOOZGMYCZ-QGZVFWFLSA-N 454.531 0.974 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022365 UTNRLUCVAGBBJP-QPHXDFOYSA-N 461.544 0.624 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1845230709 WAUCFTSSQOUITI-CRJUJDDESA-N 468.551 0.995 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 9093289 ODULDZGBIVPSHS-UHFFFAOYSA-N 451.505 0.311 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 26311495 HRMIJKXGJYDFES-UHFFFAOYSA-N 487.563 0.584 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 46917652 CZCCTNLGAOLNFM-UHFFFAOYSA-N 472.548 0.878 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 502039924 DKJSHLHSVSMWFX-AWEZNQCLSA-N 481.534 0.058 30 20 JCED CS(=O)(=O)c1ccc(-n2nnnc2CS(=O)(=O)CC(=O)Nc2cccc(C#N)c2)cc1 502600139 LKZWVUZMYNSGHD-UHFFFAOYSA-N 460.497 0.491 30 20 JCED COc1ccc(NC(=O)C(=O)NCc2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 515400823 OQTLONQYZROYJN-UHFFFAOYSA-N 458.496 0.843 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522540519 SJQKUEKOGHKLJI-UHFFFAOYSA-N 486.600 0.472 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)c(C)c2)c1=O 523476790 MABLOKWGZUEQDM-MRXNPFEDSA-N 459.568 0.918 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(OC)nc1 608884665 PLLRTXMXXHOZLB-UHFFFAOYSA-N 465.535 0.743 30 20 JCED CN(C)C(=O)Cn1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 750396334 WDVDGLRJWLFUAJ-KRWDZBQOSA-N 487.542 0.502 30 20 JCED C[C@@](C#N)(NC(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 825228847 IBRHBBIRCYJLOL-FQEVSTJZSA-N 451.501 0.868 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(C(=O)N2CCCC2)cc1 831243978 TYEPWQMHWLKAJC-UHFFFAOYSA-N 484.534 0.821 30 20 JCED COc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 837040243 FVISQIURGSNWLI-DOTOQJQBSA-N 487.600 0.886 30 20 JCED N#C[C@@H](C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917012583 AGPCRMJYAAUSDY-ZSLAHSPLSA-N 477.477 0.759 30 20 JCED C[C@@H]1Cc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)ccc2N1S(C)(=O)=O 917984233 CPADGWORMRPFNG-CQSZACIVSA-N 491.547 0.973 30 20 JCED N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1 918478402 QYUYLIIPXKKGCI-UHFFFAOYSA-N 468.495 0.937 30 20 JCED CCN(C[C@H](C)C#N)C(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 918806359 NVBDVVPPUWWSQK-GOSISDBHSA-N 478.571 0.851 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 918913998 ZVWUEQBQZQKYPL-CQSZACIVSA-N 456.459 0.789 30 20 JCED CC(C)(C)CC(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919731115 OCEAEJVPOWDJIW-UHFFFAOYSA-N 464.544 0.487 30 20 JCED CC(C)SCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1288429181 QDIIFZUDFGENNP-MSOLQXFVSA-N 483.664 0.929 30 20 JCED CCN1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1296120769 KTKHAQAGCAWRFA-IRXDYDNUSA-N 452.629 0.654 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1301044975 OUTFYHHDWJDOAR-HZPDHXFCSA-N 460.988 0.668 30 20 JCED C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1359138222 NOFWJBRIBNUOJH-SFHVURJKSA-N 475.619 0.860 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCS(=O)(=O)C1 1517039900 VNNBEZZNYMBLGQ-WMZOPIPTSA-N 478.600 0.722 30 20 JCED COc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555125210 ICENVCPVIZEBHV-WMLDXEAASA-N 460.564 0.517 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1611686981 PEUZSQXONDTGFX-IFXJQAMLSA-N 484.579 0.976 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1619553370 NOPOQXKTRICNDG-QHCPKHFHSA-N 453.547 0.615 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1690994037 UXJOWJGSAXSXOX-CABCVRRESA-N 454.578 0.958 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1696629843 OPHBTQTVTSFGQM-GOSISDBHSA-N 458.544 0.689 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1710990734 KTTUVIYIVHZWMB-UHFFFAOYSA-N 489.602 0.374 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC(N)=O 1740745484 VPBVFJOCLYDPFU-NEPJUHHUSA-N 465.374 0.220 30 20 JCED C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N1CCOCC1 1750062876 JWZRNEVWUHMSOV-INIZCTEOSA-N 475.575 0.650 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCN1CCCS1(=O)=O 1763044815 WEQZZOSTDMLAJY-INIZCTEOSA-N 473.607 0.988 30 20 JCED CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 1765497373 MGJHOBWMZJXREN-RXVVDRJESA-N 466.590 0.794 30 20 JCED COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1771112331 LVPWMVYKTLAWNL-HXUWFJFHSA-N 451.524 0.924 30 20 JCED CS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1771368777 RVZBNJJCSLQFPC-MRXNPFEDSA-N 492.993 0.630 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1778053828 KJZYFTUUXCIWOO-WJONJSRFSA-N 467.519 0.128 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1778970153 GMHKTUSLSVKROC-AVRDEDQJSA-N 465.572 0.643 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ccccc4n(C)c3=O)CCO2)C1 1778971162 HSTZZITZKAUDHU-UUOWRZLLSA-N 454.527 0.950 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779018008 ZQWWIPMWEHYHHB-GUUZLSKKSA-N 493.605 0.924 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1779066262 MZHPLGQGLSYLRX-XMMPIXPASA-N 465.510 0.232 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060856 IQUVVGHBSLPIFP-SGCYSOCQSA-N 453.503 0.005 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)[C@@H](O)C1 1780330074 IQNZBJPUFQBWBL-WVMBUTMQSA-N 487.557 0.948 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CC[C@@H]3CCC(=O)N3C2)C1 1780603854 QPJKUPAELXMWBW-BEVQTACESA-N 472.586 0.760 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1780735494 WKSLGOIAKGOPRV-CBGDNZLLSA-N 458.577 0.690 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017792 LXIQNMFNCZCYKB-KFCXZAFISA-N 495.529 0.045 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1782469018 VLPQPNCTKKFUTP-TZBSWOFLSA-N 499.612 0.669 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1783681106 PAJRDUUAJGDLHX-VWLOTQADSA-N 474.554 0.564 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783989963 JNIKIEKQDLHRMZ-QAETUUGQSA-N 457.593 0.771 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1)NC(=O)OC(C)(C)C 1785306726 MENMBYFNXXKXRY-OPAMFIHVSA-N 452.552 0.812 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1785573299 XWNLMTXOBIDJTC-PNLZDCPESA-N 485.603 0.414 30 20 JCED O=C(CCN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1786746226 VFLXALCPKMJHRU-SLJHHOFSSA-N 452.552 0.217 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787481398 HUDKYPMVOXZSDG-ZOBUZTSGSA-N 454.443 0.862 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601410 GMFRYWANLASDGE-ILCLSKECSA-N 495.621 0.978 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788639957 LPSPYDULJUTTAT-MGIBXXGQSA-N 463.487 0.173 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)C[C@@H]21 1788777524 AXBBMDHAGXACAF-UHMOLFJZSA-N 462.934 0.956 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1789891576 FPECDRSGTBMQNL-BQFCYCMXSA-N 476.486 0.246 30 20 JCED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(F)c(OC)c1F 1790223340 CGQJBJIBWBUFSM-WHOFXGATSA-N 452.410 0.663 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1793087740 OAMIAPBLILSSJH-KTHFTNCJSA-N 490.557 0.013 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1793362215 VEZHFFTVKZEZML-QTMHVTGLSA-N 467.563 0.803 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccoc1I 1795937087 COONWRUSXJIEKH-CYLMYCJOSA-N 499.305 0.946 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1797707663 SDZVDQLGTMTWKF-MVJTYMMSSA-N 451.545 0.261 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCC#C[Si](C)(C)C 1797729728 FITDPSJVGSSVDJ-UKBAYJJMSA-N 453.612 0.692 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1797838686 NBTFSYRCXZIHIQ-BPAHVTBESA-N 451.483 0.971 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-n2ccnc2)ccn1 1798728108 HFXIUVOTSOLQCF-UPHUGPLXSA-N 453.499 0.980 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799749947 RFJMRFIEGFNMAS-FRQROOTJSA-N 468.963 0.743 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 1800706781 ROXWZGNVOKRBGT-UJWQCDCRSA-N 461.559 0.871 30 20 JCED Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc2c1-c1ncccc1OC2 1800775662 AQPPJRXCQRPHDC-YVWYUNDQSA-N 450.451 0.271 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800781279 WBWKPYZNPVXFOC-ISIBIEBGSA-N 463.531 0.748 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 1800987756 WHHNZTNFDMOTLK-MYNMMXSPSA-N 469.604 0.776 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(OC)OC)C3)N(C(=O)OC(C)(C)C)C1 1801101834 BVFCJKZYIDROKM-YVSFHVDLSA-N 453.536 0.761 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N)[C@@H]1SC(=N)NC1=O 1801992276 AIAHWFWMANDFRG-YYUMVQMSSA-N 471.539 0.329 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)C(C)(C)O 1802152270 WIYRFJHNQAPXIR-XMTFNYHQSA-N 495.621 0.522 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C1 1802157942 FPKZBTATHPSCOE-RDGPPVDQSA-N 493.605 0.884 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1803900045 BIRYALVPYQTATN-XWSJACJDSA-N 460.579 0.843 30 20 JCED C=C(C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1)C(F)(F)F 1807025828 MKPHNFNDZYUITB-DZGCQCFKSA-N 450.354 0.931 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)CC2 1814984069 JYUVXGAJNVPPDX-DOMZBBRYSA-N 453.590 0.914 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829050859 ULNLPGFHDBQNAB-AVRDEDQJSA-N 479.528 0.936 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907199 AGZNDJJRRGEQAG-PKTZIBPZSA-N 459.499 0.173 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1830468223 JCTKBAHWZYFSMN-JOCHJYFZSA-N 456.886 0.545 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CCO2)C1 1830881499 YBGZTPBKGHGCQB-IMWIBFENSA-N 497.589 0.670 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2)C1 1831136557 KBBYXVMKMOCJKM-DVECYGJZSA-N 499.605 0.965 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1831393693 NKKBUEFMCZAJRJ-QKKBWIMNSA-N 459.528 0.382 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1831403203 ZCHCJGCJZALFIH-JREJRMLUSA-N 460.483 0.311 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3C)C2)C1 1831403208 ZCNSXLBGRVQVPX-MHECFPHRSA-N 458.511 0.890 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1831426412 LFQGPDFOQSWHMU-DYESRHJHSA-N 452.577 0.999 30 20 JCED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1832286178 RRTHNZORGAQKBG-DEOSSOPVSA-N 456.543 0.816 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1832453324 UZINLUQWDNTFPZ-HRAATJIYSA-N 473.592 0.248 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4c(=O)oc5ccccc54)CCO3)C2)c1 1832760243 DNFLKPRFUVEMKP-DEOSSOPVSA-N 479.493 0.955 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)Cn5cc([N+](=O)[O-])cn5)CCO4)C3)c2c1 1832800043 FTWXSFGDCSQCGM-JOCHJYFZSA-N 494.468 0.309 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc4sccc4c3=O)CCO2)C1 1832891455 MDUYKDJDEPYBBG-SBUREZEXSA-N 473.551 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CC(=O)Nc3cc(C)on3)CC2)CC1 1833075215 ZWNWYBQTFAVNNB-PLNGDYQASA-N 486.573 0.742 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)c1 1833400539 YZVSNMVNGSAKKL-DEOSSOPVSA-N 498.561 0.935 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C(C)(C)C)c3)CCO2)C1 1833453304 SWOLFQHHDNSRLI-QHCPKHFHSA-N 460.579 0.990 30 20 JCED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1833490190 IRVCEZJQRYKZAN-HXUWFJFHSA-N 474.693 0.938 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C\C(=O)NCC=C)C3)C2)c(O)n1 1833696161 SWTJOPPSOCRBBE-HAAQQRBASA-N 484.553 0.834 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834716387 WPOGJTADEICANO-NRFANRHFSA-N 493.605 0.335 30 20 JCED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c1 1834732466 QFEQALHKZWFCRM-JOCHJYFZSA-N 468.602 0.655 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835122268 CPQVYLNUDQPNNY-TUGUMKMLSA-N 465.595 0.954 30 20 JCED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1835600816 ZPAVLFLTJKGRNM-VXWZWFMZSA-N 458.559 0.939 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1835674293 IJMGEJPAOQBDNE-DEOSSOPVSA-N 472.542 0.696 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682733 SYFWLEKIPOZHFW-JOCHJYFZSA-N 467.567 0.249 30 20 JCED O=C(/C=C/C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1)c1cccs1 1835764899 QVWUGRSZXHGRDH-TYVCVZFDSA-N 490.626 0.709 30 20 JCED COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1F 1836237645 OYAJGSBIRIVJBO-MSAWBSESSA-N 480.493 0.828 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nc(Br)nn4c3)CCO2)C1 1836255735 QPEPUVNABFPRJG-SGTLLEGYSA-N 484.376 0.880 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccc(C(F)(F)F)cn4n3)CCO2)C1 1836290020 VQCFBCJKTXFRJB-BTYIYWSLSA-N 495.458 0.856 30 20 JCED Cc1noc(-c2ccccc2)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836526286 BKYWGQLBWSITDT-QHCPKHFHSA-N 453.451 0.808 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1836859524 LXYRFHJUQUUUJO-IIDMSEBBSA-N 464.588 0.826 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837202672 VBZFJUWBXNPQNR-UGKGYDQZSA-N 479.917 0.212 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492350 GPCQTXVUPPVUNF-JPYJTQIMSA-N 466.531 0.703 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1837844449 QZKCEHJBQIOIKO-VOIUYBSRSA-N 492.621 0.937 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)nc1Br 1838378874 MTLKYDXWXASTCG-GOSISDBHSA-N 453.293 0.836 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccccc4C(=O)OCCO)CCO3)C2)CCC1 1838570840 QCHNEKHQXQKSAI-XMMPIXPASA-N 471.510 0.600 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)c(C#N)c1 1839103650 UFAWPTVLHZKYNQ-FQRUVTKNSA-N 499.612 0.202 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)c(C#N)c1 1839131375 DOODJRZYOCQBET-DEOSSOPVSA-N 465.510 0.598 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1839185145 PBVGYJQINXLRLW-AOMKIAJQSA-N 499.634 0.929 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1cncn1 1839188076 KEFOHUACQVPACV-KSFYIVLOSA-N 456.478 0.549 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839372607 KIJBBWJQUDEJEO-VGSWGCGISA-N 450.488 0.447 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)nn1 1839488576 ZNFQQPAOOYSQBD-HSZRJFAPSA-N 477.481 0.617 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(C)nc3ccc(F)cn13)CCO2 1839525322 WZVRTHMDSTWYMS-WNWNSBFKSA-N 485.516 0.710 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1839785273 MCLDAUDALPVDFJ-MONBJTKQSA-N 475.567 0.961 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1840029709 NCCVACZBKTZFAN-ZPGKAZOCSA-N 453.536 0.293 30 20 JCED CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045137 SBOKSBNVDRBWMU-KSFYIVLOSA-N 467.519 0.224 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)n(-c2cccc(=O)n2C)n1 1840160142 YBFDWHBBENTEAQ-AOMKIAJQSA-N 475.571 0.268 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1ccc(O)cc1 1840222337 KYZDOCNYKVFUIC-TVPUMLRDSA-N 471.554 0.068 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(N)=O)C3)C2)cc1C#N 1840764136 LMKONVJQPZIOBY-JOCHJYFZSA-N 459.503 0.084 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840799351 SVTDAVUMLFQNOF-YADARESESA-N 459.543 0.854 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840841865 ZMWNZRRLHCGDDL-BSRJHKFKSA-N 465.547 0.227 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1840907434 VDAVFJWUSBKATG-QVKFZJNVSA-N 479.559 0.525 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)C(C)C)C2)C1 1840907481 WVVUHOXOWRUPGH-BSRJHKFKSA-N 467.563 0.376 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1840908142 BJRJAPGVRFTYQX-WZONZLPQSA-N 463.531 0.339 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CC)C1 1841284081 WHAJTOOHYLBWIS-JKSUJKDBSA-N 468.551 0.766 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCN1C(=O)C=CC1=O)C2 1841745509 GNZHBKQOXSGPGE-INIZCTEOSA-N 460.531 0.974 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(I)cc2)c1=O 25521459 XYVDHTNOQRASQA-UHFFFAOYSA-N 468.251 0.787 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1C1CCN(C)CC1 516371270 AVTVDNLEKJXZMM-UHFFFAOYSA-N 465.579 0.940 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)CC2)nc1 518210485 GGYRJDSINXIASP-UHFFFAOYSA-N 477.525 0.511 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(Br)c2)c1=O 604269912 IQZCVPNQYAQCPS-UHFFFAOYSA-N 475.368 0.542 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc3ccnn3C)c2=O)cn1 608884129 TZKGZPKMLAOODI-UHFFFAOYSA-N 482.566 0.470 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccc(OC)nc1 608884617 XHJINBJRFHCWTI-UHFFFAOYSA-N 496.570 0.511 30 20 JCED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCNS(C)(=O)=O 608912096 CMYAIXIHXLDWTB-UHFFFAOYSA-N 492.579 0.876 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(Cl)c2)c1=O 608912183 HFYQHHKOTBMVDO-UHFFFAOYSA-N 480.999 0.238 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)s2)c(=O)n1CC(N)=O 608912611 XRMNGZPWFJSXHO-UHFFFAOYSA-N 468.560 0.389 30 20 JCED COc1cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc(Br)c1O 729673533 UHXVJEOSNCPPAS-UHFFFAOYSA-N 484.353 0.458 30 20 JCED CN(C)CCNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cocn2)C1=O 730723284 GEWNZKOYPUMNSO-LRWZUSMTSA-N 494.599 0.390 30 20 JCED CN(C)S(=O)(=O)c1ccc(I)c(C(=O)OCC(=O)NCC#N)c1 731244831 XXVSBJODXZSXIC-UHFFFAOYSA-N 451.242 0.338 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 769212636 NZJYUUZYMQZPHL-GOSISDBHSA-N 497.595 0.728 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 886422689 XCPPFEOOLDOAQC-GWCFXTLKSA-N 478.321 0.032 30 20 JCED N#C[C@H](C(=O)CCN1CCCS1(=O)=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 918487406 SIDZCIXKZOMCBS-GOSISDBHSA-N 482.584 0.934 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 919035631 QGPUHMIPBQFBGU-INIZCTEOSA-N 466.560 0.938 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)COc1ccc2c(c1)OCO2 920301502 MPPZDRGKUNRMFE-AWEZNQCLSA-N 461.496 0.790 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1CCOCC1 1288862044 GZDRQVVPHHTENB-MAUKXSAKSA-N 451.597 0.882 30 20 JCED CNC(=O)C(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1298926134 JXNDBLVGOQOPIK-AWEZNQCLSA-N 450.503 0.693 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCOC2=O)CC1 1541993108 FOWOQTSBBDMART-INIZCTEOSA-N 481.579 0.583 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 1557880416 AJLOCVLWKRSJMO-GOEBONIOSA-N 452.533 0.977 30 20 JCED CC1(C)COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1611800245 SZAMJZXTOXPADX-LJQANCHMSA-N 495.650 0.852 30 20 JCED C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1691013435 SEOWROICWMADFH-INIZCTEOSA-N 450.547 0.694 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2S(=O)(=O)N(C)C)CCOC1 1696100376 ZYCGZZKHJHEXBR-AVRDEDQJSA-N 490.586 0.958 30 20 JCED CN(C)CCOc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1747594976 ORBKNSFJAIXDJM-QUCCMNQESA-N 474.587 0.898 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1766958871 UWMVKYTTWGFDPG-SFHVURJKSA-N 458.544 0.689 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778273028 JHZYMAMIELIKLH-NKTLJPPGSA-N 482.581 0.576 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)NC(=O)OCC)C3)C2)c(O)n1 1778779913 DRXLIYAEHFPYRU-GCJKJVERSA-N 462.503 0.414 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1779334948 BIQDQQYREKHUEF-XLNZFTOWSA-N 473.574 0.717 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(CCO)CCO)C2)c1 1781840809 CCUDELVVBHQAES-OPJGWUQDSA-N 472.586 0.728 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c(C(F)(F)F)n1 1782659851 GQPXSKRLGUOIMH-FQEVSTJZSA-N 476.415 0.672 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1783166539 HZIVPGIUGUFDGQ-DGGJZMOXSA-N 464.563 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C[C@@H]21 1783530737 XUVFEODIRDTGDU-PUSOUIHNSA-N 465.554 0.591 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3ccc(Br)cn13)CCO2 1783563866 DGGXNUGKIZQWOH-IBGZPJMESA-N 461.272 0.628 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(OC(F)F)c(O[C@@H]3CCOC3)c1)CCO2 1783566563 DWLYFDMURFNWLF-WAIKUNEKSA-N 494.447 0.987 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1785576133 HLGPVJLWXFJQKG-VFNWGFHPSA-N 452.508 0.089 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(OC)OC)CCO2)C1 1785592943 MSJXBMZURSGEQR-UJUVCNOISA-N 453.536 0.905 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn(C)c3)[C@H]2C1 1786039123 AFZLPNFZJGXIBF-WNHJNPCNSA-N 459.547 0.930 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1788575587 YZHJUWFUYOJYGZ-LNMJFAINSA-N 494.552 0.737 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1)NC(=O)OC(C)(C)C 1790848629 CMUXQRPNPLWDSZ-VJANTYMQSA-N 466.579 0.962 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@H]4NC(=O)NC4=O)C[C@@H]32)c1 1791986021 NVSGHQWSJIGNKM-DTBDJWGBSA-N 453.499 0.505 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C(F)(F)F 1793087576 HTFZFUKWFNJYMU-LXTVHRRPSA-N 465.469 0.970 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1793361353 IHHQKGYZUKNQGG-SFFUCWETSA-N 483.562 0.624 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NC(C)=O 1793381706 KGHWTGLHKZYSIT-NHWFWODHSA-N 478.590 0.960 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccnn1)C2 1793599549 ZLFOVMDXMFCBMS-DFBDCSAJSA-N 462.551 0.898 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cc1 1795322590 WIVWGWSDLYLEGN-UEYMPDGTSA-N 476.599 0.830 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1795583013 IXHPOHSNUJYUGY-XAPVIXHLSA-N 470.570 0.870 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)cc1 1797740975 LSWHLODVSJGBJQ-UEYMPDGTSA-N 476.599 0.830 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cnc2snnc2c1 1798506358 OFUPWYLNNVFMPV-RHNPYBAZSA-N 460.516 0.819 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2c[nH]c(=O)cn2)cc1C#N 1798636261 CDIOZDVYLKERDN-UPHUGPLXSA-N 451.483 0.946 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)[C@@H](O)C1 1799195972 KIPZWXPAGKBLLC-FLQYYVGBSA-N 498.580 0.918 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C(C)(C)C 1800776069 QYCBPQIVUUANLG-LTCOOKNTSA-N 451.520 0.603 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2)NC(=O)OC(C)(C)C 1801931669 WUOHYXNQTLECOQ-AXVVYFOYSA-N 497.662 0.920 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccnc1)C2 1802125236 QTMKOVWKCMSVTI-ZSXDVEMLSA-N 459.547 0.950 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807148302 XEMNQZDPNBBEQY-OKZBNKHCSA-N 460.535 0.434 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)c1 1810354245 NRUWMWIRTDFUKX-QNIAMRLHSA-N 479.537 0.932 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)ccc2F)[C@@H]1c1cccnc1)C(=O)C(=O)O 1811729304 DJNAXSVAPTWSHO-JXFKEZNVSA-N 467.457 0.955 30 20 JCED N#Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CN(CCO)CCO)[nH]n2)cc1 1814499578 NDXXSCQXEGPEJO-HXUWFJFHSA-N 454.531 0.803 30 20 JCED CCS(=O)(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1828580801 SAESHLYFTXDJKC-QFIPXVFZSA-N 476.555 0.787 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCSCC2)CCO3)ccc1F 1829714848 GBOYRGPUZXMISY-HSZRJFAPSA-N 476.574 0.745 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1 1830217321 OBCQXYZCOIJLRW-XJYGMZQDSA-N 491.541 0.714 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831212759 FAZKPRMCOZWOFH-HSZRJFAPSA-N 460.552 0.639 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1831397874 YXPFQGJOESLECP-HXOBKFHXSA-N 461.490 0.649 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 1831402114 OELXYWZDFGERHW-IECBHUPTSA-N 479.574 0.881 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1831998597 OLLBKCSXZLLOTG-UZUQRXQVSA-N 477.562 0.960 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1832000822 YSFGXRAURVBEAT-RIKPSNTJSA-N 481.546 0.943 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833223928 MXXITRARIAUCSD-LJQANCHMSA-N 480.606 0.566 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)c(=O)[nH]c1C 1833389689 BPGBCIQHAXDXJI-DEOSSOPVSA-N 483.500 0.710 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C3)C2)c(O)n1 1833696190 VCNWFYQQQHWTDM-UZUQRXQVSA-N 495.598 0.657 30 20 JCED N#Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CN)CC3)CC2)ccc1Br 1835067259 REMMAEJHWSUTHP-IBGZPJMESA-N 477.407 0.792 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835171059 NILITMGNOWRENM-DEOSSOPVSA-N 474.510 0.924 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835349555 JUJVMAKSSBLFMX-NRFANRHFSA-N 466.510 0.706 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835647609 ZRRKICHKCFTTTR-ZHRRBRCNSA-N 499.634 0.929 30 20 JCED CC(=O)Nc1ccccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681039 NPWHTTOKLXIDGT-XMMPIXPASA-N 471.558 0.997 30 20 JCED COc1cccnc1CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441209 XCQQLYYSIBZTSS-RGXRWQALSA-N 473.574 0.951 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1837524316 FFRNGAADGFYLEK-RJXGFELWSA-N 455.405 0.872 30 20 JCED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837526734 VHKYBCIBDXCHDG-BPRFCRFOSA-N 463.535 0.636 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CSCSC1)CCO2 1837574080 OAOQABOVMSUSBO-LAUBAEHRSA-N 487.644 0.995 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cc(C)[nH]n4)C3)C2)c1 1838582212 GMZJWBALPYZDNE-HSZRJFAPSA-N 453.499 0.911 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950737 AROMNCRWRAYFDK-QHCPKHFHSA-N 453.499 0.785 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1839101580 QRENALLINLITSM-RLWLMLJZSA-N 483.613 0.583 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CO)o4)C3)C2)c(C#N)c1 1839132766 OAGIJPUYSCRWOT-XMMPIXPASA-N 469.494 0.965 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1839173889 RTRHRNCYSBCIKW-OAQYLSRUSA-N 464.544 0.995 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1839174549 JBGNMIACSJUXTL-YKSBVNFPSA-N 459.543 0.695 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1839227702 JJNDRBXFJRONNW-IXFSTUDKSA-N 475.546 0.457 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)c1 1839420340 CGZQHGWULPXWIM-XUZZJYLKSA-N 467.501 0.732 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)n1ccnn1 1839704703 BTWWGFPZSGUWOK-WZONZLPQSA-N 452.515 0.800 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1839808432 RHGGVINKTIXDOX-TYBLODHISA-N 485.537 0.238 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1840108116 IVGXOWWJLLRADG-GSHUGGBRSA-N 454.568 0.507 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CC(C)=O)CCO2)C1 1840134334 VJQQQDWVXWKVNL-WVMBUTMQSA-N 479.574 0.975 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c(C#N)c1 1840204868 RKZIGORRIBDDMD-NRFANRHFSA-N 498.458 0.244 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840882782 NAQNXLJSSUXHQC-DVECYGJZSA-N 493.557 0.313 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1847070592 ZCVKVRZAEZWWNP-IRXDYDNUSA-N 484.557 0.715 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1847102353 VROUJLMVIDYYJV-OAHLLOKOSA-N 450.540 0.835 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1847258979 OPOWVDHSGUEGKO-AKSSPNHOSA-N 460.531 0.625 30 20 JCED N#Cc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c1 14868544 WFAHCMCWJLQCIW-OAHLLOKOSA-N 455.539 0.824 30 20 JCED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 24733108 COLKYSLTOGTAIO-QHCPKHFHSA-N 499.524 0.997 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)ccc1SC 410093303 HUSYPEYUKIBKOE-UHFFFAOYSA-N 474.608 0.129 30 20 JCED CCc1ccc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccnn3C)c2=O)cc1 502039932 DLRPXCAJXHUGTB-OAHLLOKOSA-N 451.552 0.849 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc([N+](=O)[O-])c3)c2=O)CC1 516827553 ANVDYRSAEKBRCT-UHFFFAOYSA-N 483.550 0.447 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C1CCN(C)CC1 518714137 ADUFYMBSRFDQGB-UHFFFAOYSA-N 477.568 0.412 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cccc(F)c3)c2=O)cn1 522389458 JTSBFHUHAHXASN-UHFFFAOYSA-N 496.568 0.206 30 20 JCED COc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c1=O 576056327 AHIVJGVNIQTZJW-UHFFFAOYSA-N 479.356 0.194 30 20 JCED N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 608910991 ARMMFJGTWXSJIV-UHFFFAOYSA-N 452.423 0.828 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O 608911858 LTUBIVICYPKZSQ-UHFFFAOYSA-N 476.942 0.239 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OCCO2 619538623 FOUWSQKQIKAARN-UHFFFAOYSA-N 464.503 0.331 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCNS(C)(=O)=O 727163747 HQIADADPGQAQLI-CQSZACIVSA-N 479.628 0.529 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)CC1 728533433 IRDKBBZRJAEFOI-UHFFFAOYSA-N 487.582 0.478 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)CC1 728536159 MSVIWSODMHWOBL-OTJDAXFFSA-N 478.640 0.592 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 728720643 MGJBHTPGWWGWCV-SWLSCSKDSA-N 476.349 0.640 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC1 729257158 UUHICCCYBDVTBB-UHFFFAOYSA-N 452.471 0.346 30 20 JCED CCCCN(C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 769792309 HIVUCEVQJGRCFU-INIZCTEOSA-N 471.557 0.196 30 20 JCED CC(=O)NCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918280529 YUUXKTGJXZHUSX-HKOYGPOVSA-N 451.549 0.861 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(S(C)(=O)=O)c4ccccc4C3)CC2)o1 1193045725 XULSAZJWPIKROR-UHFFFAOYSA-N 458.544 0.785 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1507869072 RETBDAYMYCOMJZ-SJORKVTESA-N 475.015 0.522 30 20 JCED CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1545991847 AVKCSXBTLKLCMP-RCCFBDPRSA-N 467.596 0.213 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1690994040 UXJOWJGSAXSXOX-LSDHHAIUSA-N 454.578 0.958 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1692573702 RTZWLZCJUOSHPL-QGZVFWFLSA-N 459.532 0.785 30 20 JCED CCOC1CC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)(N2CCOCC2)C1 1696186099 UKRWJXZWJSCHHY-PLZJKPGVSA-N 499.613 0.600 30 20 JCED CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1=O 1706507635 VLWHELQYSZNMFC-UHFFFAOYSA-N 451.531 0.980 30 20 JCED CCN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC)[C@@H]1CCS(=O)(=O)C1 1709938965 YILLJJQLWYWNQL-MRXNPFEDSA-N 452.562 0.379 30 20 JCED N#Cc1ccccc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC1 1731184976 NGZGBSKWFCJRJS-HNNXBMFYSA-N 458.473 0.809 30 20 JCED C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1740802267 JUWQPGXRPNOLFT-GOSISDBHSA-N 465.601 0.975 30 20 JCED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749109756 XUGPBOIDRQMWQW-UHFFFAOYSA-N 466.384 0.710 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCS(C)(=O)=O 1749269279 PARBVZPQIXCOAT-ZDUSSCGKSA-N 455.990 0.234 30 20 JCED CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1767692454 NGKDIDALZACDHJ-UHFFFAOYSA-N 460.560 0.828 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1779338018 HRKROVSTGBMWSV-UECWXEIQSA-N 450.624 0.709 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCNC2=N)C3)c1 1780088701 AYQULFWMKVZBHR-AUSIDOKSSA-N 454.531 0.534 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)ccc1F 1780938446 LQKQEMATVFMKMZ-DEOSSOPVSA-N 497.552 0.975 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781177499 YUVHENKOVUCBBT-JOCHJYFZSA-N 459.572 0.423 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781338723 KVNSBUGGHGXSJN-SBUREZEXSA-N 481.594 0.374 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)OC)C1 1782398330 POXSBYTYFUGRIG-SEPYTNNBSA-N 480.562 0.773 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782658876 FMLUAFAHRSANRT-GAJHUEQPSA-N 475.546 0.543 30 20 JCED CNC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783780525 WZJOGZYFNXNVLG-IERDGZPVSA-N 472.608 0.554 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)NC(=O)OC(C)(C)C 1783787445 NIVUWKFFIVFSEW-ARGWCVDVSA-N 459.565 0.591 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)CCO2 1783905617 AIFRIWLLTMXUJT-XMMPIXPASA-N 497.577 0.911 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1783917373 LSRPMPJMEMRBGA-IEZWGBDMSA-N 480.912 0.716 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C[C@H](NC)C(=O)O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090421 QJBGHYYRZBTPTL-HKARXFIJSA-N 480.562 0.445 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C[C@@H]21 1784483118 KJTODLDUMUNGOQ-RTHQQOCOSA-N 469.582 0.640 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1784519846 JESKSGXIANXVQG-CQEAQJRCSA-N 465.547 0.900 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1784532705 DMXSJHYEMJPIEE-WOYTXXSLSA-N 459.609 0.806 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784539174 KTELODGFTFPMDD-NLSFWIRASA-N 474.562 0.968 30 20 JCED Cc1cn(CC(=O)N2CC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)c(=O)nc1O 1785350954 AZISLOQWJCGKOH-QHCPKHFHSA-N 451.483 0.202 30 20 JCED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21)c1ccccc1 1788704574 FTIGTETXUDJCMG-SSTJLMRISA-N 466.538 0.761 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccncc4=O)C[C@@H]32)ccc1F 1789907753 USBMYHIFRCKFQS-QRFRQXIXSA-N 453.474 0.476 30 20 JCED CCCN1CCN(c2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)cc2)CC1 1790310385 GZTQDFAAZKZEQS-PMVMPFDFSA-N 482.581 0.900 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791351602 WEMDQPADONAFKE-FKSLSLAPSA-N 476.574 0.409 30 20 JCED C[C@@H]1[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CCN1C(=O)OC(C)(C)C 1792351282 UYXIEINTUGYWOA-FPSMNIFISA-N 463.531 0.700 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)C2 1793353641 AZISSDGSXPLARD-HZKQSDJQSA-N 479.599 0.843 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1797220741 CINLNNSCYGHHSP-GUMMBQFYSA-N 476.574 0.691 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1797282519 VAUYRVMFDPYTBQ-AMLORBGZSA-N 453.467 0.013 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1797704352 NXZNKCIYIDLTNU-KQZHTCIUSA-N 483.565 0.764 30 20 JCED CC[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1799062660 AKDIMSHYRGFDOG-UVSNUMOOSA-N 497.548 0.959 30 20 JCED Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)n1 1800906381 LXVSAXJYQFYJQQ-LXTVHRRPSA-N 482.607 0.620 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1800987071 FUYGZMYCBWCLGB-BPKGMFCQSA-N 469.604 0.920 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2)n1cnnn1 1801438877 GEFAVBYVTRYWKE-FIUQPQMISA-N 474.319 0.772 30 20 JCED C=C1CC(C(=O)N2CC[C@H](CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H]2c2cccnc2)C1 1804387742 LNZVGEPCMKJMJZ-YLJYHZDGSA-N 491.552 0.501 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807950528 UODBEKJQJHFGES-BBRMVZONSA-N 458.429 0.739 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1808463472 FTAFCMMPUQDTOX-RXVVDRJESA-N 483.525 0.868 30 20 JCED Nc1n[nH]c(CCC(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)[C@H]2c2cccnc2)n1 1810152120 ORHGMHWDNKQQAJ-AZWONUKRSA-N 470.534 0.950 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1810388295 MFWJVLHTEAOGTJ-ZEQUCSKPSA-N 452.471 0.351 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2c2cccnc2)CC1 1811536039 BBTTWTBZOGBZSY-REWPJTCUSA-N 463.542 0.765 30 20 JCED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812443207 AQHITRXUQMXSMW-VNDHCKRVSA-N 491.639 0.586 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CN2CCCCC2=O)[C@H]1c1cccnc1 1812975105 VZRSZESBOXTRSO-KTTXHFHUSA-N 453.543 0.958 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817078310 WOHQHWXOGSCKEF-AYMFLGRJSA-N 464.592 0.811 30 20 JCED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817813033 MQXABEDFEPIGQH-HNNXBMFYSA-N 455.479 0.824 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1823385510 IPKKDCYFYSMPRB-HZPDHXFCSA-N 465.470 0.951 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)sc2C1 1824758200 ZVPSRWRLYWFCAI-KUDFPVQQSA-N 468.535 0.779 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1828581143 ZUNGLINIWHLXSP-DYRZZGSRSA-N 496.564 0.755 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CN)CCN2C(=O)OCc1ccccc1 1828946181 CSJPUSQOUKQPJZ-OOFGCHQKSA-N 497.596 0.892 30 20 JCED COC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330268 FARFQPJTYNAWOV-UUOWRZLLSA-N 471.510 0.809 30 20 JCED CN1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1829417566 XHDZCNPCCFECIH-DEOSSOPVSA-N 468.510 0.088 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630924 DOKXPLGOQRKUAP-CYFREDJKSA-N 466.542 0.875 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)C(=O)O 1829632259 SDNVFOMRVJZHRI-CVDCTZTESA-N 458.515 0.010 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829636395 YJULSPNKEFBDST-DNQXCXABSA-N 473.526 0.563 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)[C@@H](O)C1 1829691448 LNEGKSLOIHVNCA-LLJLJFOGSA-N 492.573 0.364 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)C1 1829762854 UCONDGVDTQXCOD-HILQUJMNSA-N 482.537 0.494 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1829765949 ATXCAKXUBFEWCQ-HZQHCPKGSA-N 483.447 0.424 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1830058020 PODPZLLKFXFICQ-SQJMNOBHSA-N 470.570 0.894 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1830345051 VCHWQMOOGIZXQK-KRWDZBQOSA-N 451.520 0.659 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831042825 GOOLMZFOILKILH-ZGNKEGEESA-N 483.562 0.531 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1831388169 UYXMOUDUOINJJB-KSFYIVLOSA-N 462.503 0.271 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)C2)C1 1831388481 YUOQGOPSIHOEKS-ZHRRBRCNSA-N 463.462 0.771 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1831424026 AWXZNDADSIHZGU-WZONZLPQSA-N 480.583 0.680 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1831435732 XOBZEYVTWWWERI-WZONZLPQSA-N 485.578 0.575 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833027314 JKNHZBVWPHQXLG-HRAATJIYSA-N 451.545 0.525 30 20 JCED NC(=O)[C@@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1833238418 LQICXFYFIIRNDI-NRFANRHFSA-N 474.005 0.856 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797141 ARCVWICNJKSYAW-OAHLLOKOSA-N 472.550 0.404 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835357367 VHKJZCYOJAIRSJ-JTSKRJEESA-N 466.535 0.382 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835381999 FUNSGGPOEJCGEQ-NBGIEHNGSA-N 492.617 0.845 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCNC)CCO2)C1 1835658476 PVKWXNKWXYRULP-MBSDFSHPSA-N 468.595 0.912 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1835667514 GSTGDVZOHIIZNB-QHCPKHFHSA-N 460.531 0.509 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1835675205 XBKGOPBIDXMRIM-GBXCKJPGSA-N 457.575 0.467 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncncc4c3)C2)C1 1835677159 JJUMULSBJXYQNG-XMMPIXPASA-N 466.542 0.982 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)(C)NCCC#N)CCO2)C1 1835680643 IXJXXINIBRTVOM-QFIPXVFZSA-N 452.552 0.314 30 20 JCED Cc1c(C(=O)N2CCC(N3CCC(NC(=O)/C=N/N4CCCCC4)CC3)CC2)cn2[nH]cnc(=O)c12 1835731786 FCYYPXXQTDSPEF-JFLMPSFJSA-N 496.616 0.988 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836066663 XQHGIXOLDMXNSM-CYFREDJKSA-N 489.573 0.336 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc6ncccn6n5)CCO4)C3)c2c1 1836873038 SHFBUFPIRJWKJI-XMMPIXPASA-N 486.492 0.861 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1837440453 KBBNQYKWGYFECE-APRFEEGUSA-N 472.542 0.755 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1837492634 NDDDPDCFXFDOTL-DEOSSOPVSA-N 472.542 0.270 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)c1ccccc1 1837616081 UVJRHDQXFZSESG-CJFMBICVSA-N 485.537 0.183 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(Cc3ccccc3)c1)CCO2 1838017521 KNMWWESUWOZRKA-HSZRJFAPSA-N 452.467 0.089 30 20 JCED O=C(C/N=C/c1ccco1)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838409491 YPTZVVJWVVETGT-ZVHZXABRSA-N 456.499 0.622 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838579114 BVSQNJDEPNSNHU-JOCHJYFZSA-N 477.539 0.543 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1838605193 SLORGZUVVBKFCV-HSZRJFAPSA-N 469.498 0.552 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2 1838626601 WAHIYARAUMWDOI-JOCHJYFZSA-N 457.439 0.807 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1cccc(Br)c1)CCO2 1839054513 CNIWYTSXNHCDKP-PKOBYXMFSA-N 452.305 0.853 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)C[C@H]1CO2 1839085776 PFPJORCNWODJLD-OWAUWMPXSA-N 489.569 0.635 30 20 JCED COc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)ccc1[N+](=O)[O-] 1839137152 ZBJVBMPEHRULAI-XOBRGWDASA-N 453.517 0.921 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1839176617 YMKWWOSEUDJLBH-JOCHJYFZSA-N 457.487 0.537 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1 1839185073 MEQFBEPJMBFUAS-VGOFRKELSA-N 453.536 0.891 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839188002 GEVOMTBLPZJHFX-XZOQPEGZSA-N 477.489 0.312 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)ccc1F 1839188065 JSHDDINYTSZSJG-GAJHUEQPSA-N 458.490 0.222 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839350316 VVJDFNDRMHYDIC-QHCPKHFHSA-N 457.531 0.137 30 20 JCED CCOc1c(F)c(F)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1F 1839434414 DLROJFQCLXOHCM-OAQYLSRUSA-N 470.400 0.661 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)c1 1839451352 OKQKJGLPTIQLKF-QHCPKHFHSA-N 465.466 0.739 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1839453431 KOSNTNKGEYINFX-HSZRJFAPSA-N 451.483 0.194 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c([N+](=O)[O-])c1 1839462084 BZWCAFPVWMRZBH-QHCPKHFHSA-N 471.466 0.865 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnn6ccncc56)C4)C3)c2c1 1839488497 VWVLDGYVKRNBDX-XMMPIXPASA-N 486.492 0.861 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839637053 VCCDUHUXILYDCS-CQHUQFDMSA-N 479.537 0.921 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1F)CCO2 1839967454 MUCPUKXAJTVJGQ-YLNCNTMDSA-N 461.490 0.519 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1840164482 LGIGWUMPBVQKPI-RZTYQLBFSA-N 487.619 0.522 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)c4ccccc4OC)C3)C2)C1 1840171028 KDTIZBZYTORAAJ-XMMPIXPASA-N 457.527 0.800 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840274344 CYFGNYMXRUGCBD-NGKNQMCKSA-N 453.536 0.523 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819766 DMTHPZZRJKQAKW-KOSHJBKYSA-N 480.525 0.684 30 20 JCED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820294 IPWZZTGLSADAQT-XMSQKQJNSA-N 463.556 0.507 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1840820778 JQSLCXLYFXTLSQ-VWLOTQADSA-N 478.505 0.806 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1840842733 YHCVSWBWKUWBDU-HSZRJFAPSA-N 464.482 0.054 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnco3)C2)C1 1840906735 ILWPVDNVUNVSFL-ZHRRBRCNSA-N 462.503 0.661 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)CC)C2)C1 1840909470 SUOVAOGDBIEQKM-ZHRRBRCNSA-N 451.520 0.339 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1841961191 FNWBSIYCQBGIFE-HNNXBMFYSA-N 488.545 0.329 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843154044 CUTQNGNAWGRMKJ-WMPMWDHYSA-N 497.556 0.912 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1845130884 UHVRMIAYNDVQRC-ICSRJNTNSA-N 478.590 0.537 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cscn2)c1=O 497552156 XLCLITFOSGRIEI-UHFFFAOYSA-N 479.653 0.071 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)CCC2 518724041 ARGYSIGEOSZTAL-HNNXBMFYSA-N 463.563 0.775 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1-c1cnn(CC)c1 523182338 HEGVVLVOEWGBOK-UHFFFAOYSA-N 462.535 0.879 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 590897410 RILCSDDLHUSOCU-UHFFFAOYSA-N 457.508 0.489 30 20 JCED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccn2)c1=O 608912653 SBAMSNKDQVMPSJ-UHFFFAOYSA-N 455.584 0.254 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)cc1 609333636 XDUCRAJIBBIOIM-UHFFFAOYSA-N 498.605 0.585 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCCc2ccccc2)cc1 747006569 GPDHROGQTAATKO-NHFJDJAPSA-N 485.566 0.913 30 20 JCED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 750821323 BNCXCHVMJPIEJX-QHCPKHFHSA-N 497.533 0.985 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(OC)cc1 837970196 ZMRHZHGSWMDJDQ-UHFFFAOYSA-N 481.578 0.746 30 20 JCED CCOc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1S(=O)(=O)N(C)C 915775475 MEDGTMXOHYXORG-UHFFFAOYSA-N 460.516 0.769 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCNc3ccc(C#N)cn3)CC2)C[C@@H](C)O1 916520618 KCYVHHSCOZDOIE-IYBDPMFKSA-N 451.553 0.046 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)c1 927575199 PUVAWGZMTRDSHY-WBVHZDCISA-N 450.513 0.945 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCN1CCCO 1288841676 SCICJTLNSWPQOU-ABSDTBQOSA-N 453.613 0.865 30 20 JCED CN(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCC1 1298047715 MTYMUMHTOXIBLV-KRWDZBQOSA-N 451.597 0.835 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1316336371 QDPCQHFIDAAWIU-FQEVSTJZSA-N 462.507 0.649 30 20 JCED CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1516182641 LQWFSYNLDCXRCQ-MJGOQNOKSA-N 457.528 0.312 30 20 JCED CO[C@@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1554722070 YZMWWCSHNCQUGH-SIKLNZKXSA-N 490.586 0.925 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1690219837 MCWHZAHNLUJKTG-STQMWFEESA-N 461.386 0.998 30 20 JCED CC1(C)CCCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1692857709 KLOOQRALBKMJNZ-MSOLQXFVSA-N 481.623 0.462 30 20 JCED N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1712887752 RIEYZUBQKWVFSG-INIZCTEOSA-N 456.594 0.346 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CCO1 1729690580 SWCZKHPIQFGTTE-LJQANCHMSA-N 450.503 0.656 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1766707172 JXZHNWQDUFXSHM-UHFFFAOYSA-N 487.586 0.584 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1779333053 UMBMOWZGJIQMJF-PMAPCBKXSA-N 459.547 0.327 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)[C@@H]4C[C@H](O)CN4)C3)c2c1 1780602508 GBYMJTSXVVKDPS-ULUCGAEXSA-N 452.515 0.285 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171166 KMSDBCMESQJHMQ-ZHRRBRCNSA-N 478.571 0.267 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C3)C2)c1 1781860382 HNUQRALUOQWGAU-WZONZLPQSA-N 474.514 0.853 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782568149 WXVHKZJBKNJRDT-KJTYKZCZSA-N 460.466 0.841 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089771 HIKDVMCRBWJOJR-CYFREDJKSA-N 478.590 0.714 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1784186242 LYFOSRFIUITZPL-JQPJORTASA-N 490.557 0.601 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1784783847 YFVWBYQVQFGZCB-XSLAGTTESA-N 481.594 0.707 30 20 JCED Cc1cn(CC(=O)N2CC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)c(=O)nc1O 1785352430 WWPWPDQNTLRYPY-DEOSSOPVSA-N 465.510 0.592 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1785573654 XPYFFCNSIGFTJW-MWTRTKDXSA-N 473.530 0.845 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccnn4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1787124919 RBBXSQXFJMAPAJ-VJANTYMQSA-N 474.562 0.823 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCOCC4)n3)[C@H]2C1 1787656414 LZQCAIBFULCRQW-JKBKZWBZSA-N 456.543 0.550 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788256048 GYMHLIGIRCITBF-ZWOKBUDYSA-N 459.547 0.593 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790226147 IAWDHAPEUOJWFQ-BVPXEZJJSA-N 475.473 0.785 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)NC(=O)OC(C)(C)C 1791079316 IYHRBHGGHUPXSI-MHORFTMASA-N 463.531 0.914 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnn3C)C[C@@H]21 1792261917 SYWBWWFMDQAYMN-BMFAXAFESA-N 459.547 0.930 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC13CN(C(=O)OC(C)(C)C)C3)C2 1793347377 CAHWJVQJRUEYGH-OYSTVDSJSA-N 461.559 0.871 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1793369591 GWOOHRKPCCVIRU-NYYTWLDWSA-N 451.520 0.510 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796571162 WESYIKJTQJLOTN-MUJYYYPQSA-N 451.874 0.770 30 20 JCED Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3(O)CCCCC3)C4)cnc2s1 1797064274 BXCQFJIQSBHXOU-XEMDLRDOSA-N 484.578 0.966 30 20 JCED Cn1c(=O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)nc2ccccc21 1797742314 SRHCZOQLZYPMTL-VMTASOTGSA-N 466.542 0.608 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)CCC 1797930930 JAOWADVCACITGP-PKRADWSKSA-N 478.590 0.797 30 20 JCED COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798922160 CNGIHZWCQJXKAW-ACHVPNTGSA-N 489.569 0.848 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)c3ccccc3OC)C1)C2 1799301563 AWHGPTYGHJQHOM-BBIADKPPSA-N 499.564 0.866 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)COc1ccc2scnc2c1 1800289940 UOVWVTKEMWJMQI-YEZVWNJWSA-N 456.524 0.404 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C(F)(F)F 1800548138 HPTJQOZKAMSIOC-XGUBFFRZSA-N 465.469 0.970 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CC(C(=O)OC)(C1)C2 1800706434 IIXKXLAEVKKTBL-RKPDWAHQSA-N 489.569 0.836 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773875 VVTHGYSNNLRJAN-HPNQWNLUSA-N 486.525 0.195 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@@H](C)C#N)c1)C2 1801289483 ZXLLYQRMJNMOPZ-QUZHHRDCSA-N 478.553 0.987 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801982975 GHXISPHAHARHES-YYIAUSFCSA-N 450.536 0.546 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1802088236 YCCFJYJKSIBXJF-YVSFHVDLSA-N 478.546 0.726 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)cco1)C2 1802125167 SFWKRGXKVQXUTR-LORHWOILSA-N 459.499 0.760 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804095172 ZUIKBAZEDUHSEE-JXFKEZNVSA-N 457.487 0.149 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)CS(C)(=O)=O)[nH]n1 1814434372 SKXJDNBAFFSEAC-SVUXDUJVSA-N 451.549 0.941 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCN(C(C)=O)CC2)n[nH]1 1818963923 PLRQTYHKPZZWKH-FQQSSWHASA-N 471.562 0.424 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)C[C@H]3NC(=O)NC3=O)CC4)c2c1 1823888692 NDBMEOCBTCWFRZ-QMTHXVAHSA-N 478.494 0.715 30 20 JCED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)CC1 1828327215 PNNCIGWCTNBYAO-KRWDZBQOSA-N 476.493 0.892 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828521335 ZYHFRSGPYJNMLM-SBUREZEXSA-N 461.515 0.340 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828806595 XTZBBOILCJHWJI-OAQYLSRUSA-N 462.528 0.397 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807990 CVHXGKAPHMMMGZ-QHCPKHFHSA-N 486.598 0.836 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1828923106 QEEDFLSIUORZBA-YADARESESA-N 484.557 0.335 30 20 JCED Cc1nc[nH]c1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829076726 USBPPIHTZWNGAR-XMMPIXPASA-N 479.493 0.872 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829124984 UEYNERBBCDZFKA-OYHNWAKOSA-N 473.555 0.633 30 20 JCED CC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1829304317 SWNVBNOGRUWPRX-ZHRRBRCNSA-N 462.572 0.893 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cnoc3)C2)C1 1829332773 YKXYZPKEAARQFU-HSZRJFAPSA-N 466.450 0.828 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)cc1 1829631572 LHSKDFUYAVWKFV-DEOSSOPVSA-N 479.493 0.749 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NO[C@H](c4ccccc4)C3)C2)C1 1831391415 ATTVCWYASZNYNQ-UTSGNWPNSA-N 455.511 0.999 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1831401719 FVHALVCCBYGECN-OUVPSQHASA-N 485.581 0.117 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1831427834 VZKYDWOTRHNJDY-QMHKHESXSA-N 458.515 0.716 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1831431202 AOOCNCLQFBKOKH-WAIKUNEKSA-N 487.513 0.340 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487950 LLYPQPNEEQUYOA-PESPDQJRSA-N 451.612 0.364 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832677280 UZIWPNFKIFZXGP-UEVPCVAJSA-N 462.503 0.446 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833028870 WMEDZSPZFZDHDF-QKKBWIMNSA-N 482.484 0.661 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnnn1C)CCO2)c1ccc(O)cc1 1833236735 RKJXKXITUWZDSA-CYFREDJKSA-N 467.526 0.788 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CCC(N4CCC(NC(=O)CC#N)CC4)CC3)csc2n(C)c1=O 1834402567 RIXGCZARVXZYFQ-UHFFFAOYSA-N 486.598 0.326 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(=O)oc2)CCO3)c(C#N)c1 1834596293 GWGDVULEWSTARK-DEOSSOPVSA-N 467.478 0.833 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)COCCOC)CCO2)C1)NC(=O)OC(C)(C)C 1835247689 WPOORKGRJIUOHX-NTKDMRAZSA-N 499.605 0.965 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)c1ccc(O)cc1 1835312467 ZKMSYKCXDFNGFF-ZJCBTPCYSA-N 469.538 0.624 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835349792 YTPUCSMWLDDZNL-QHCPKHFHSA-N 457.483 0.612 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1835674042 DFRZYWSDACSAET-QHCPKHFHSA-N 454.531 0.866 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674677 DQJMKXJRFQKEKC-HOYKHHGWSA-N 493.605 0.734 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1835677688 UFFQSAQXAGXITM-XMMPIXPASA-N 466.542 0.982 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1835714802 WOHVAARETHDRPK-QFBILLFUSA-N 472.652 0.459 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1835731742 YRNTVZSHVJJTLR-OVVQPSECSA-N 494.600 0.746 30 20 JCED COc1nccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1F 1836237646 OYAJGSBIRIVJBO-RTAVMZEGSA-N 480.493 0.828 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836381109 ZFBNPGPWRPNOGX-FQEVSTJZSA-N 487.525 0.908 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1)c1cccs1 1836520798 RYXXAGQFQPSECH-BMOUEYTDSA-N 475.567 0.956 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1837400385 DKWXKHVEIVKOHY-CVDCTZTESA-N 493.513 0.952 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837527359 LZAAGFJYUWSMCX-FICMBQOISA-N 461.515 0.705 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838034131 ZLRDGKJJMORAMS-FQEVSTJZSA-N 454.478 0.630 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838117636 MMYNWYLWIYATBM-DEOSSOPVSA-N 481.557 0.619 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4nc(C)no4)C3)C2)c1 1838581996 ZBNQLHMXZQWBGU-JOCHJYFZSA-N 455.471 0.571 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)c1ccc(F)cc1 1839039585 PLWCEEFGZVNWIF-AUSIDOKSSA-N 458.490 0.763 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)N(C)C(=O)OC(C)(C)C 1839075196 GDZHCDZXTNDSFM-KOSHJBKYSA-N 495.621 0.980 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C3)C2)c(C#N)c1 1839131536 JRPDVABBMUHXSQ-UZUQRXQVSA-N 493.582 0.246 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccn4)C3)C2)c(C#N)c1 1839131794 ZVHZPEQSPJOCQA-QHCPKHFHSA-N 451.483 0.670 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)C)C(C)C)C2)C1 1839174522 HMBSSKNNWBXTFE-OFNKIYASSA-N 453.580 0.975 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210508 SGSOKWHBMIKZBD-IUKKYPGJSA-N 469.579 0.931 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)cn2[nH]cnc(=O)c12 1839362885 VMLMUQIYTXAQGS-VWLOTQADSA-N 490.520 0.781 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839388245 LLXOOYVMHJUNBD-GCJKJVERSA-N 453.536 0.480 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)c1 1839452217 OCYWBJGYNDMNSP-NZQKXSOJSA-N 469.567 0.963 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCCCNC(C)=O)NC(=O)c1ccccc1)CCO2 1839744596 CCLDMKCKNIBXPC-GJZUVCINSA-N 498.580 0.181 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CNC(=O)OC(C)(C)C)ccn3)C2)C1 1839807320 RVOUZYQOSQMBRA-HSZRJFAPSA-N 458.515 0.810 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1cccc(Cl)c1 1840043369 UCFWRIZVIFYWRH-IRLDBZIGSA-N 477.901 0.062 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)C1 1840167051 SKKFOGNIIVRQBU-VWLOTQADSA-N 483.569 0.281 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1840173164 FXNISJKNXBSFOB-PMAPCBKXSA-N 467.563 0.637 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1)c1ccc(O)cc1 1840221788 KJOPPOJIPZRUJQ-QFQXNSOFSA-N 483.565 0.968 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c(C#N)c1 1840232372 VCSSFJKPJNEDSR-KOSHJBKYSA-N 470.526 0.092 30 20 JCED COc1ccc(Cl)c(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1F 1840238345 FRHMIAPVNYXZFI-NRFANRHFSA-N 468.865 0.575 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1840316285 MSHOSNKVGNRLOY-REWPJTCUSA-N 490.582 0.518 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)cc1C#N 1840763908 XPGGBRMTJWZOGY-DEOSSOPVSA-N 497.556 0.749 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn1 1840818794 XMZCJXWJWPJBPA-XMMPIXPASA-N 481.509 0.896 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840820622 ATEGXECUVKGAEI-QFIPXVFZSA-N 454.487 0.075 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(I)cnn3C)C2)C1 1840842054 KKTGMOKMMYIKRV-SFHVURJKSA-N 486.310 0.508 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H]3CCCOC3)CCO4)c2c1 1840877675 NNTILSGSPWCVJP-GAJHUEQPSA-N 453.499 0.931 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1840908661 FTDQSIPMUPJPOU-MBSDFSHPSA-N 473.530 0.463 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840908989 KRLFXKHYMBBJCH-QRQCRPRQSA-N 477.518 0.102 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC(=O)NC)C1 1841562551 VGQURHRRYBWPIF-HNNXBMFYSA-N 481.550 0.131 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842304575 PTWRMNBOIKWFAD-HJWRWDBZSA-N 466.542 0.083 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cc(C)nn2-c2cccc(=O)n2C)C1 1843131461 JPNZUDLUYNZWRJ-KTKRTIGZSA-N 464.526 0.555 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843809295 RPPLTOIVAMLOTK-AMAFCZHPSA-N 479.497 0.917 30 20 JCED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 479047926 MHPMFRHLCQWOKY-ZDUSSCGKSA-N 488.360 0.908 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Br)cc2)c1=O 480153899 HGDJDSYFSURILE-UHFFFAOYSA-N 491.411 0.644 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 515923183 XUAJKBJQLYULHV-UHFFFAOYSA-N 477.608 0.769 30 20 JCED Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 517179882 QXCCITSMZSZWSX-UHFFFAOYSA-N 480.510 0.314 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 560894917 ZDCHUXSQWYISRR-UHFFFAOYSA-N 492.579 0.315 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(=O)N(C)C 604270375 NPAMEEFRNPJLMF-UHFFFAOYSA-N 490.969 0.655 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2/S[C@@H](CC(=O)NC3CC3)C(=O)N2CC(=O)NC2CC2)cc1 726402655 GZAYJUJYQVOMTP-JDAKFOBDSA-N 479.584 0.081 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC1 728531193 BXMLUOXEVCHEJZ-UHFFFAOYSA-N 456.240 0.707 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)c(C)c3)c(=O)n2CCOC)CC1 729672130 YLYIQDJPRGRVOY-UHFFFAOYSA-N 458.559 0.671 30 20 JCED N#Cc1ccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 750241965 INCYLGMQQKTVMO-UHFFFAOYSA-N 485.518 0.948 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)N3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)o1 915376825 PJQNBPLCGBSFAG-CWRNSKLLSA-N 457.487 0.610 30 20 JCED N#C[C@@H](C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)NC1CC1 916927601 YJARQZAUVYSCLE-KRWDZBQOSA-N 466.947 0.941 30 20 JCED CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918301068 HHHDMOSXHQWXRI-PTGBLXJZSA-N 463.560 0.765 30 20 JCED CS(=O)(=O)N=S1(=O)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1170593844 PFLBAXIWYQGJCS-OAHLLOKOSA-N 459.619 0.200 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)COC)CC1 1286542023 QCSOVSJKLOVSOO-ZDUSSCGKSA-N 476.397 0.820 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1287789666 SMUHPLPWGFRLBH-AEFFLSMTSA-N 453.613 0.985 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1299303842 XSNNDRWIQNJSPE-UHFFFAOYSA-N 470.559 0.985 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C1 1302468489 IJVRBOGTCMAHIE-DLBZAZTESA-N 470.621 0.592 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1696489556 LFPQSYVPRXHQQT-GOSISDBHSA-N 472.575 0.702 30 20 JCED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C 1708181478 RDFLFYLRDHSSRT-NVXWUHKLSA-N 457.560 0.765 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1711020630 UMKMGVPLJZHIBM-UHFFFAOYSA-N 459.532 0.787 30 20 JCED N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1731187073 XCXYIPHWSXVMRH-MAUKXSAKSA-N 482.360 0.986 30 20 JCED CN(C)[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCSC1 1747587674 XUYBVJNHIRSPJJ-PXNSSMCTSA-N 483.664 0.788 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(OCC2CC2)c1 1761502382 YWVIEPPVMIFISE-PBHICJAKSA-N 461.548 0.849 30 20 JCED COC1CCC(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1769025124 YCIZADQSCVRPNQ-WZOJCFFYSA-N 482.607 0.935 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1779041172 BMEWSZUJXHUDGG-NRFANRHFSA-N 455.544 0.362 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1781187352 GNNVONPBJWNOTK-QVKFZJNVSA-N 452.508 0.576 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1781289810 BRBJHKZGYDQYKJ-HKARXFIJSA-N 481.594 0.269 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1781295662 ZGXZQZSQTFKSNA-QVKFZJNVSA-N 453.540 0.344 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c(O)cc3C)C2)C1 1782098615 LWMXSNOUAAYWTG-XSAUMEDDSA-N 458.471 0.911 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782730204 WKEOOZKIPKPACU-UJBXUPAJSA-N 454.575 0.685 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCO)C2 1783268119 AEBUXMBQLLHVDR-YZZKKUAISA-N 467.563 0.426 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)CCO2)C1 1783898717 SUDLXJWBHCHGEH-LHSJRXKWSA-N 491.595 0.426 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CC(=O)NC4=O)[C@H]3C2)cc1C#N 1785031206 VEMVDHPNFNCVJA-QRFRQXIXSA-N 483.525 0.491 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1785575176 ZLYBLQDFHLAMAG-PEBXRYMYSA-N 475.502 0.248 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)n(C)c1=O 1786788375 RLIFGJQPURUFDR-UHFFFAOYSA-N 475.509 0.872 30 20 JCED CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)Cc5ccc(C#N)cc5)C[C@@H]43)CC2)CC1 1789804614 HBLHJDHJEMOEEZ-VABKMULXSA-N 465.598 0.860 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)OC)CC1)C2 1793599932 LDVGPYOFOAYPCX-YVSFHVDLSA-N 465.547 0.999 30 20 JCED C[C@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795996864 KFFGIFNTBWKEKI-LSSIXWDNSA-N 453.421 0.687 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)O2)C1 1801987777 HUWAAMGDXUKURZ-YVSFHVDLSA-N 461.515 0.881 30 20 JCED C[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CN1C(=O)OC(C)(C)C 1802233122 RBSNJYXNRMSIAR-PHSQPZKOSA-N 463.531 0.700 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1807151666 WTACZYCKARUROC-GHTZIAJQSA-N 451.531 0.626 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)[C@H]1c1cccnc1 1812425404 PHLFIWGDLRLWGY-WIVXBSKCSA-N 476.533 0.811 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]3c3cccnc3)c2c1 1812717153 NCLXUIQNIZUPLZ-YADARESESA-N 491.552 0.436 30 20 JCED C=C(C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1)C(F)(F)F 1816674492 RCMMEXFRRYKZLS-SSDOTTSWSA-N 454.394 0.613 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccccc1C(=O)OCCO)CC2 1825669703 QVXCXDMPNYMTPD-GFCCVEGCSA-N 457.464 0.606 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)[C@@H](N)CN)C3)C2)CC1 1828921322 ROPGMRFDPDHCIY-MBSDFSHPSA-N 454.531 0.028 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCN2C(=O)OCc2ccccc2)C1 1829205539 AVPPAYFVZBUKRF-LDQAXMLRSA-N 476.599 0.480 30 20 JCED Cn1nccc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332510 PBRNOSSEFMNXHO-XMMPIXPASA-N 479.493 0.574 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830060837 UTSSIQGICWHCOH-DGGJZMOXSA-N 480.562 0.220 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)C(C)(C)C)CCO2 1830634078 DOVWKGNYRRPQEG-RHGYRFJNSA-N 481.590 0.766 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)NC(=O)CC)CCO3)c(O)n1 1831179294 HUTPZECFZWGFPE-OSPHWJPCSA-N 474.558 0.891 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1831396285 ITWJBJLVAFMCHW-UZUQRXQVSA-N 453.499 0.580 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CC(N)=O)CCO3)cc1C#N 1831615417 QIZHJMFDEXTNQY-BXKMTCNYSA-N 472.542 0.927 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831616007 PCIOLSMMEOELIA-YGKZAACZSA-N 482.578 0.424 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832426885 CAZXSNONTBIFIB-RUZDIDTESA-N 484.553 0.796 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1832452918 JTTRZYQTFORTQI-NRFANRHFSA-N 483.612 0.615 30 20 JCED COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1832764366 MVPXRVPXKKWFGF-QHCPKHFHSA-N 459.547 0.371 30 20 JCED CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)no1 1832789130 POGYFMHCCQNPRT-DEOSSOPVSA-N 474.558 0.891 30 20 JCED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833613327 JALJZVMLGNJRND-NRFANRHFSA-N 450.605 0.828 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CN5CCCC5=O)CCO4)C3)c2c1 1835412191 WODJFCPXYDTPRH-HSZRJFAPSA-N 466.498 0.127 30 20 JCED CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835766207 XKTXHWUXFYIQCM-SGSZHJQISA-N 466.583 0.358 30 20 JCED Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1835991946 CXPZRALQRSJKSG-XMMPIXPASA-N 467.526 0.760 30 20 JCED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)n1 1836066232 OTJFBTKUFPMYCP-HSZRJFAPSA-N 453.499 0.881 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)cc1 1836419045 OHAVCMAKZGXWAI-HSZRJFAPSA-N 452.467 0.943 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1837118646 YHHKBLUANARNSN-UZQCKINESA-N 453.499 0.263 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837375966 VMCFPWZFPIPQDI-HOYKHHGWSA-N 471.558 0.655 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1837396577 GKESTYWDCIDWDM-FPTDNZKUSA-N 475.571 0.917 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1837490828 CEMDXVVMSNWGOJ-VWLOTQADSA-N 470.570 0.988 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1837525475 WUXZTIJLISVLAU-KADBZYALSA-N 499.414 0.327 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837845503 AMDPZXZHEVSFNS-OBKNTDCBSA-N 450.467 0.820 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n(C(F)F)n1 1838712125 PUZNUWZIICYHON-OAQYLSRUSA-N 468.505 0.939 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1cccc(Br)c1)CCO2 1839055531 OQCHMPLORMCLIF-UYAOXDASSA-N 481.299 0.027 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1839124327 YJJKQEGBPNFCKU-UUOWRZLLSA-N 496.605 0.781 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)ccn1 1839225961 ZSKZYMMYRAMNGH-ZHRRBRCNSA-N 461.519 0.911 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839238148 WANPWBFWMUKUAP-MBSDFSHPSA-N 490.561 0.300 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccccc2C(N)=O)CCO3)c(C#N)c1 1839351741 KJHVUYPKMHUSFP-SANMLTNESA-N 492.532 0.978 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)c1 1839420545 PAXLSCGPPWOMAT-HSZRJFAPSA-N 470.457 0.790 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839665958 HHRSKHKFMPWSOL-AFMDSPMNSA-N 491.548 0.771 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(I)c(O)c3)C2)C1 1839811412 SPBJKNYSFLSAFM-GOSISDBHSA-N 470.263 0.700 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)(C1)C2 1840005843 XFDNGJZUVHWPGM-DCAQBPTFSA-N 479.530 0.315 30 20 JCED CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041842 KHIXNGOAUURPIN-KSFYIVLOSA-N 499.586 0.177 30 20 JCED COc1cc(Cl)ccc1CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044439 IDIOKIDAGAPTTL-OAQYLSRUSA-N 450.875 0.436 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1840077760 KNQCQJGUEAAVEK-KNQAVFIVSA-N 473.567 0.313 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219122 CDLAPYGMQQNXGB-YADHBBJMSA-N 453.536 0.391 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840445985 XVLKMVRONCXYCL-JPYJTQIMSA-N 492.577 0.594 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1840795610 SFOWKYYENQLNKM-XFAGBWLFSA-N 494.589 0.438 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840819445 LLMLDCVQERMGAH-NRFANRHFSA-N 470.442 0.339 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1840844277 MRPDUCPKFFEGJF-GCHFZTJISA-N 491.585 0.615 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cc2cc[nH]n2)C1 1845827129 JRCMPCCTWSKDFD-QGZVFWFLSA-N 490.561 0.961 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)c1 1847473185 DQROJKSSVFNCPW-XSDIEEQYSA-N 495.605 0.873 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c(O)nc(NC(=O)C(C)C)nc21 1847811830 MQFIIJCNBSYSKM-PMPSAXMXSA-N 485.545 0.919 30 20 JCED CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2=O 18038968 YCNJXTHFIFTZGA-UHFFFAOYSA-N 473.555 0.892 30 20 JCED C=CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480220168 XCWXTCYKQWEHSS-MRXNPFEDSA-N 453.520 0.665 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](c3nnc4n3CCC4)C2)CC1 503594282 LTNDBGQDYWNIEU-LJQANCHMSA-N 483.598 0.808 30 20 JCED Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 515105395 RPNRFXZEJAZLFA-QGZVFWFLSA-N 492.583 0.961 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccncc3)c2=O)cc1F 522626171 SGMVAPKGSRCLGZ-UHFFFAOYSA-N 466.494 0.804 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCNS(C)(=O)=O 524281467 YWCMURDIDOFVFV-UHFFFAOYSA-N 476.624 0.495 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 604218712 GLBFJCFRBKXQJI-UHFFFAOYSA-N 494.508 0.543 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccc(OC)nc1 608884226 BIRWLNVRUMADPR-UHFFFAOYSA-N 494.529 0.339 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)C1=O 623224367 DZASNAQTSAFQPM-UHFFFAOYSA-N 488.497 0.897 30 20 JCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(C2CCN(C3CC3)CC2)C1=O 726403785 NDDDOXPVNZIGFZ-JQBIEYAESA-N 479.628 0.897 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1 728531542 GPEZRDCUPCMCDT-UHFFFAOYSA-N 461.588 0.312 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccc(CCC)cc3)CC2)c1=O 732447638 FEDPEHJSKOUVQV-UHFFFAOYSA-N 489.598 0.460 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(C)c1C 838894879 MUMAQUYUXNSEMO-HNNXBMFYSA-N 451.552 0.904 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 886422690 XCPPFEOOLDOAQC-GXFFZTMASA-N 478.321 0.032 30 20 JCED Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1-n1cnnn1 914914902 PKNKOTOQKNQYEC-UHFFFAOYSA-N 495.521 0.532 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2CCOCC2)c1 918238331 ADQFLRJAKAMMQP-PTGBLXJZSA-N 451.549 0.276 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 918729088 BGPIGRLMBODOQD-UHFFFAOYSA-N 488.573 0.580 30 20 JCED Cc1nn2cccnc2c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 920537103 JQVIHFHVBUKMNK-UHFFFAOYSA-N 468.495 0.599 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1287787324 MUKZEWLGSGGSME-UEXGIBASSA-N 499.613 0.410 30 20 JCED C[C@@H]1C[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCO1 1304942987 JIPZAZQVVQRCCJ-OAFZBRQQSA-N 456.544 0.868 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3csc(C(C)C)n3)c2=O)cn1 1318164818 NIESYWPHNAGUFT-UHFFFAOYSA-N 472.596 0.961 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1321995545 WAFZHEXRGKGAER-SFHVURJKSA-N 477.587 0.736 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1504874535 UAEHRKQWEYSIIN-IBGZPJMESA-N 492.602 0.907 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1509679355 NVDLTOSQJSXMRK-UHFFFAOYSA-N 474.591 0.506 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1510293566 SHZVOKSZEINGLR-FRQCXROJSA-N 470.621 0.592 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1593808145 PENMBNYTVQZBMU-LBPRGKRZSA-N 455.006 0.501 30 20 JCED CC(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1607001983 IBRQMPDWZSAKDV-ROUUACIJSA-N 451.597 0.834 30 20 JCED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1612657946 NHXVCEMOQAQGGI-RDJZCZTQSA-N 458.544 0.830 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1615973035 PNFPVHVFWUTGFV-AEFFLSMTSA-N 478.600 0.769 30 20 JCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](F)(C#N)C1 1625264675 LQQCZIYVOVVPLB-HOCLYGCPSA-N 451.929 0.886 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1696490299 AZYKJCPDEKTILG-INIZCTEOSA-N 472.637 0.982 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCC[C@@H](C)C1 1743096250 PCFHIVFCGWZQAH-ZIFCJYIRSA-N 464.640 0.797 30 20 JCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1770336068 MCOPOVVFNDKKAY-UHFFFAOYSA-N 485.614 0.996 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)Cn4cncn4)C3)C2)c(C#N)c1 1779218627 ABMNPVPNBJTZKQ-GAJHUEQPSA-N 452.515 0.867 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1779401920 GTMAQKUJTJZIHN-KYRWQVTMSA-N 480.562 0.467 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779423197 IHOSIVQBIJTTBQ-YBKSHLIGSA-N 470.523 0.094 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CC[C@H]3C(=O)OCN3C(=O)OCc3ccccc3)C2)C1 1780963536 DPPJUSCPETWVJX-YADARESESA-N 469.494 0.751 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781112234 VCFMKQQSUKMOMF-DOWNOZBLSA-N 471.620 0.999 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)CCO2 1781268382 OIZSGBGVFVEJEE-UZUQRXQVSA-N 483.562 0.865 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2C1 1782349996 INGKMXGKWSDXSA-VWLOTQADSA-N 498.536 0.906 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783141616 FOOOLQKANQHZHB-VGSWGCGISA-N 452.552 0.812 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2 1783272318 RKLUQGDQSKYBJH-IEGYKGNPSA-N 489.577 0.656 30 20 JCED Cc1cccc(C)c1N1C[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1=O 1783556597 AOELGVXWXWILJT-KOSHJBKYSA-N 453.495 0.574 30 20 JCED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567920 IRUKRGMLXONHFW-XOBRGWDASA-N 455.533 0.161 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783614351 XJJDKBMJKUXDNI-AIYYMTJKSA-N 481.590 0.760 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1783641521 CNOMTNRAYMGBRY-LPQSXTOPSA-N 479.574 0.615 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1783976048 GHPPHBQVAYXOCW-FQEVSTJZSA-N 452.433 0.999 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)N2CCOCC2)CCO3)N(C(=O)OC(C)(C)C)C1 1784093961 QXOQEZLQMSFINE-NRYAXDJKSA-N 494.589 0.033 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1784196827 PQAZLVQWYVSGAD-YTUIBAPOSA-N 495.621 0.714 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nnc4ccccc43)[C@H]2C1 1784896289 ZILBXDLIOGONAY-FFXVLIFUSA-N 452.515 0.269 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1785592422 AKAKJASYSCEGSR-KBJGYGKASA-N 450.536 0.422 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3CS(C)(=O)=O)[C@H]2C1 1785680165 LVNHIBXRXDBDIS-DUPRYPCISA-N 465.572 0.811 30 20 JCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C[C@@H]21 1786368784 PJAOEPLRCOUNBY-HVAMYJMISA-N 470.526 0.652 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786745126 ANEMGNTWRAWUBT-DAWKRRPCSA-N 464.563 0.524 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCCNC5=O)[C@H]3C2)c1 1788255196 FDSUHPSXVWXOLO-WJPUGNRLSA-N 480.500 0.934 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C[C@@H]21 1790792628 KIYMNVAYSAGKCA-XSLAGTTESA-N 478.594 0.146 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CNC(=O)C4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791379208 WEAHYQLPBKPWQW-PJVZLEMVSA-N 476.574 0.668 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ncn3)C[C@@H]21 1792255763 UXSCHIALJMWVOZ-CUSZFKRNSA-N 473.530 0.692 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(=O)OC)c1ccccc1 1792800610 KCXMINIBZIQVHU-IPVZBFIUSA-N 470.526 0.532 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3CC3)[C@H]2C1 1793261179 AXLCPIRDGZASFY-NYOMPZLHSA-N 473.570 0.871 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N(C)C(C)=O)C2 1793597733 VHWMDAWIESEULG-NLNMYJFZSA-N 466.579 0.912 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794318714 JZKUUVWDLDVLQH-XEMDLRDOSA-N 451.545 0.671 30 20 JCED C=CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)C3)c(O)n1 1794825017 GLMUGGJTDSVCQU-QDMKHBRRSA-N 464.486 0.597 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cscn2)c1 1796307035 XYZKIBSPEPWXOZ-JSJNYSNDSA-N 455.540 0.797 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1797119944 KFTINNBNHILLMQ-XVMXLUHGSA-N 481.590 0.785 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1797696916 BHVDUZOPHAKRDB-FRQROOTJSA-N 453.503 0.345 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1797740481 LTBAFQJMBAMZIB-RNRNKQQBSA-N 472.546 0.054 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797743584 DCNHIYFOWSRZST-FPWXAHMASA-N 475.590 0.964 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799751773 BPABYTRPYCQJDF-JSJNYSNDSA-N 477.901 0.910 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1F 1800375826 IYTKPZKVDMIBQE-MULDDASSSA-N 498.552 0.740 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C(F)(F)F 1800551926 RYWYRJTVUPQDRU-XGUBFFRZSA-N 465.469 0.970 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C[C@@H]2OCC[C@@H]21 1800763288 GZXFODWLVLLQJL-ABYCXSSWSA-N 491.541 0.079 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2)NC(=O)OC(C)(C)C 1801928536 DWBJLRRUFCWQCR-DFGXFYAUSA-N 462.551 0.878 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1801991692 GJEGENOSPOCTAM-UPHUGPLXSA-N 451.483 0.819 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1802087116 INKNQYXBNOLMIE-IECFSIQFSA-N 498.577 0.833 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803919336 OJWGGSKZXOZXBK-FDDCHVKYSA-N 468.510 0.912 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1812718040 YOWYNXCNZDDNRU-GMAHTHKFSA-N 451.527 0.559 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)CCOC1 1812881411 ZVKHLSOSOFRYIY-WSCWJOSJSA-N 486.525 0.859 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)N2CCN(C)CC2)[nH]n1 1814438505 NZAJKJCCORKLCN-MQCDJQTNSA-N 457.579 0.896 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822026778 QJWZODRFJIGDEJ-QGZVFWFLSA-N 451.524 0.198 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC3)ccc1F 1822960871 KYWLTHDXXVMDKK-WFASDCNBSA-N 470.486 0.907 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828595797 XMAPROIWQYYNOZ-BXKMTCNYSA-N 484.509 0.038 30 20 JCED C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828924868 HMDABZNQQVGGLA-JPYJTQIMSA-N 455.515 0.877 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829205538 AVPPAYFVZBUKRF-JPHBTFASSA-N 476.599 0.480 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3nccs3)C2)C1 1829766362 UYRXDVGIAGQWNE-SBOFIMESSA-N 463.560 0.258 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1829770559 YAMBXBQQPKWBQW-ZAXYSONSSA-N 484.509 0.036 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1829771505 SWJYWNBBHBEBHG-UZQCKINESA-N 453.499 0.263 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1829781869 KBLSOQHWTQOSAF-XMMPIXPASA-N 464.607 0.599 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n(C)n1 1829900799 NIXDMZOMMIOZQS-QHCPKHFHSA-N 453.499 0.613 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)CC2)ncn1 1830957216 FRAIYNVQZSENQA-JOCHJYFZSA-N 458.519 0.072 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)C1 1831386636 HSQBHUMPOBCERH-KEXUJGGDSA-N 450.532 0.461 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)C2)C1 1831387442 HWHZABZRMDVNEO-RSPJHRDISA-N 491.585 0.879 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831388055 PKUWVGBQBMFNJQ-UUOWRZLLSA-N 477.558 0.658 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1831424326 HVUCBECIQGEJQB-WAIKUNEKSA-N 458.515 0.627 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1831488338 WORMYHSDLZHOKE-PGRDOPGGSA-N 462.572 0.991 30 20 JCED COc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1832864500 LZRPURIOJUDLAW-NHVVDLMHSA-N 473.574 0.951 30 20 JCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833273120 MTBCPRYHHUSURL-IBGZPJMESA-N 450.580 0.857 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c(O)n1 1833700465 YSAYUPMYMOYKQQ-HSZRJFAPSA-N 470.530 0.658 30 20 JCED Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c1F 1833709390 KHEOENOCMVPBCQ-QHCPKHFHSA-N 481.488 0.999 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n(C)n3)CCO2)C1 1834124927 KRAYJAQNVOWOJP-KOSHJBKYSA-N 489.573 0.715 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(I)ccnc3F)C2)C1 1834761271 ZRIWKOUFBRQNLY-QGZVFWFLSA-N 488.257 0.809 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768798 PNSWFYAQJGBIMF-USCONSEESA-N 466.535 0.117 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1835682939 ZAEGQAVJGKQMNZ-HSZRJFAPSA-N 454.531 0.686 30 20 JCED N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccccn1 1835700839 AVXUDUPDTJTGCK-ZJSXRUAMSA-N 456.543 0.236 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1835774128 CILKFIYPFHCRAE-FQEVSTJZSA-N 475.590 0.858 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836205637 AZQJVQPWVMIVRQ-VGSWGCGISA-N 478.550 0.204 30 20 JCED CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CC1 1836665974 NFFHFHDPAURAMY-DEOSSOPVSA-N 474.989 0.395 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836888639 DFTZLUKUINCKOW-YGPNGPECSA-N 455.519 0.271 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1836935278 CPFJVOAVUMNWQR-YLNCNTMDSA-N 453.499 0.491 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1837393725 ZZYHDDCIDSRPII-AUSIDOKSSA-N 457.531 0.461 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1837402434 BCEWNMMUKUWGKW-PGRDOPGGSA-N 463.487 0.944 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1837529588 VVOUULDBPVILNK-FVOVQBGFSA-N 471.514 0.933 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533029 JKQAOWVSHOBDFF-MHPMKTAKSA-N 476.530 0.834 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1=O 1837564557 XLNJDDQLXRKIDB-PLPMJULLSA-N 480.477 0.604 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1ccccc1=O 1837686914 MPFHBESKDOIMAX-WISBUKIJSA-N 456.499 0.578 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1 1838349839 VDTHSDNCSJNPOM-ZISMNVMJSA-N 463.491 0.084 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c1Cl 1838597948 GYBCKJXCHGEVBX-JOCHJYFZSA-N 471.901 0.539 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838740695 QQXXKRZQMSXWJH-HJPURHCSSA-N 466.498 0.170 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)CO1)CCO2 1839080850 MEYDKSJAVQDMQF-IIBYNOLFSA-N 487.500 0.347 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)C(C)(C)C)C3)C2)c(C#N)c1 1839131412 XGTXXBTXJMUKGO-QPPBQGQZSA-N 459.543 0.973 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839174784 XEPLUYDCPLYFJB-JOCHJYFZSA-N 473.486 0.014 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1839842546 YNSKJYAWPDMFHX-UTKZUKDTSA-N 457.593 0.327 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1)C(F)(F)F 1839892344 IMJKUTMOBUHOKY-IBGZPJMESA-N 491.488 0.815 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840181382 YQNBYIBWFWTHEQ-XZOQPEGZSA-N 477.489 0.312 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1840293274 PTLUIAPZDHEIFC-FDDCHVKYSA-N 467.563 0.522 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1)NC(=O)OC(C)(C)C 1840796178 YJZQKZZPCSFXIY-OPAMFIHVSA-N 478.550 0.734 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1840820665 DDCLSCDVIXXULH-QQHIZMLBSA-N 463.494 0.897 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)C1 1840841463 AQVPIJGLXKMLHN-DEOSSOPVSA-N 482.541 0.049 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840853055 CGRGKDFNZDFPIZ-TZWBQFSNSA-N 451.568 0.219 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(OC)OC)C2 1846365758 UKAHYSOAPGJKLK-HNNXBMFYSA-N 484.550 0.614 30 20 JCED N#Cc1ccccc1N1CCCN(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CC1 481097920 APSVHXOJQSRXDO-UHFFFAOYSA-N 455.496 0.852 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1=O 513245261 GNWWTRCNOABXTQ-UHFFFAOYSA-N 463.288 0.710 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccncc2)c1=O 514307502 XDWLOSYNWZIWDC-UHFFFAOYSA-N 455.584 0.399 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C1CCN(C)CC1 517984212 VCDIHKSEUAWRGI-UHFFFAOYSA-N 468.579 0.975 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCS(=O)(=O)NC(C)C)nnc12 519899476 KTADAWDDPFYGCR-UHFFFAOYSA-N 464.573 0.766 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCc1ccccn1 522382279 OEOYDLJHZCRPOX-UHFFFAOYSA-N 482.537 0.961 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccc(OC)cc3)c2=O)cn1 523581178 QKUWTKPPBCGBSJ-HNNXBMFYSA-N 467.551 0.778 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)ccc1F 591684543 JSBFWIFHZGWENQ-UHFFFAOYSA-N 451.545 0.635 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2Cl)c1=O 603793287 UYXUNOSQCDYEDZ-UHFFFAOYSA-N 458.971 0.701 30 20 JCED C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 731198225 GSQXBYWMMXICSP-MSOLQXFVSA-N 475.615 0.954 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCN(c2ccccc2)CC1 744085492 KHTKIQASUJRLPA-UHFFFAOYSA-N 469.567 0.970 30 20 JCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 748410291 SOJDIBSYLMTEPV-ZBFHGGJFSA-N 456.542 0.955 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc3c(c2)OCC(=O)N3)CC1 749945937 STGOBSCDRPVZAI-UHFFFAOYSA-N 484.490 0.579 30 20 JCED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915369057 VMTMGAQCXHWVLA-AWEZNQCLSA-N 491.526 0.422 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)c1ccc(C#N)cc1 916774143 CPJLNNQUCIKRCE-UHFFFAOYSA-N 465.509 0.706 30 20 JCED C[C@@H](c1ccccc1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 917794094 BUUFKRBRVDARCD-SFHVURJKSA-N 492.605 0.204 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 918818040 UTOIZCFGNIGHDO-UHFFFAOYSA-N 462.528 0.241 30 20 JCED CCOC1CC(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)(N2CCOCC2)C1 1297261710 NWHBIMGMABGAIR-UHFFFAOYSA-N 450.561 0.501 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1300881063 SVADEWOAMQFPCI-OAQYLSRUSA-N 467.574 0.959 30 20 JCED N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1303001934 OGETWYQFSSNWFJ-CQSZACIVSA-N 477.451 0.780 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CCO1 1618709782 NGVMUILWRWTEHE-CTNGQTDRSA-N 481.557 0.938 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1696654852 WKUBJDJCWASKSF-UHFFFAOYSA-N 488.570 0.601 30 20 JCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1697000811 JDFCMGNOHUBMJB-SFHVURJKSA-N 457.560 0.957 30 20 JCED COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1O 1697454920 UDFJTPCTNWVQOV-KSSFIOAISA-N 464.548 0.969 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1750216372 PGOJSCHMOBLPCL-LJQANCHMSA-N 473.603 0.915 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1771112440 OXDHXRILUDYSHJ-QGZVFWFLSA-N 454.597 0.657 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778055989 SOMQCFAAZBMVGB-SKLAUCLBSA-N 492.540 0.486 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1779100450 AAVCVIJMFGEUEL-PBPYGMEZSA-N 460.487 0.841 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781380329 LWLNQJJSBMYYCL-UAGSDZEYSA-N 498.621 0.374 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1781380632 SJUAQIZMUWXGHK-QFIPXVFZSA-N 455.552 0.452 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)ccc1Br 1781903992 XCIKILGNQHXLQT-RIFZZMRRSA-N 463.332 0.487 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CNC(=O)C(F)(F)F)CCO4)C3)c2c1 1782197619 AZDCHFUHHBQYNA-IBGZPJMESA-N 464.404 0.557 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566647 XPKRMLZCRSEGFR-MZNJEOGPSA-N 475.542 0.942 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783682442 MRQXOKBJBCJGNF-AUSIDOKSSA-N 472.579 0.086 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1783765225 KKYZDTFUOBAMGW-OPAMFIHVSA-N 467.567 0.557 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784007788 RAKOQOWKGXJUEC-MQNAVGNWSA-N 465.547 0.227 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnc4ccccn34)[C@H]2C1 1784045629 MFMSSHDQKILSKO-OTWYLLFQSA-N 451.527 0.715 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1784500117 DAFXDEOXDVKZKK-SPOLIRPYSA-N 469.579 0.833 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1)NC(=O)OC(C)(C)C 1784582187 QORITEWABMINJZ-ADHGMGHFSA-N 480.562 0.934 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1)NC(=O)OC(C)(C)C 1784601995 VDIKNEHWCBGZMA-HYFFOGBASA-N 477.566 0.924 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622923 ZLTPKTCJSPYKQO-SBUREZEXSA-N 479.578 0.572 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nnc4cc(C)nn4c3C)[C@H]2C1 1787910475 FBRJTIRGUGIZAF-XSLAGTTESA-N 456.547 0.908 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)[C@H]2C1 1788095553 QJLROOCUCCDKSW-HVTWWXFQSA-N 463.575 0.997 30 20 JCED C[C@@H](Nc1cnccn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c1ncn3nc(N4CCOCC4)ccc13)C2 1793566854 ZYKILZJAIGZNFZ-AKHDSKFASA-N 466.542 0.856 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)NCC)C2 1793597333 MEWYBPITIUGUBM-JCECYMMASA-N 481.594 0.753 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N[C@@H]1C[C@@H]3CC[C@H](C1)N3C(=O)CC#N)CCS2(=O)=O 1795462888 ADQDXTAWGYQOHW-YVSFHVDLSA-N 480.587 0.962 30 20 JCED C[C@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1795517448 XZDOVWUCKXDVDA-IBEHDNSVSA-N 458.625 0.773 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O)NC(=O)OC(C)(C)C 1795533639 MBFSAUMCQKQLML-WFNPHZEWSA-N 481.594 0.028 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2)c1cc(=O)n2[nH]cnc2n1 1795727186 QYCLCOQINQSISB-YVWYUNDQSA-N 466.885 0.326 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=N/N2CCCCC2)C3)CC1 1797705134 CLMULAOMJMZMSG-JMSVLVLTSA-N 453.609 0.768 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1797711187 HFBYEEPLELNZEW-XCCSTKFXSA-N 488.326 0.791 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1797712709 SVZZMTMIVUYKDV-ADHGMGHFSA-N 497.589 0.606 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2 1800996501 DFPZNPNNXZISSK-XEMDLRDOSA-N 455.552 0.710 30 20 JCED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807943816 KHSNYRDDCGUGLG-KBXCAEBGSA-N 454.516 0.446 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1810332230 UVJXZYSBJQBEID-GCJKJVERSA-N 467.526 0.338 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nc1 1812875766 ZOBYLQQIJOPEHG-YWZLYKJASA-N 456.480 0.288 30 20 JCED C#CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[nH]n1 1815202584 LXOSRDWGEVEIQG-KYNGSXCRSA-N 455.519 0.911 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)n1)CCN2C(=O)OCc1ccccc1 1829050085 MQLFBLUCXIUAGS-QHCPKHFHSA-N 465.466 0.587 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCN2C(=O)OCc1ccccc1 1829474918 WKNYOPBITQSPCA-CJFMBICVSA-N 483.521 0.953 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829520032 UAVBCAVLRSUBAW-VRRXETNQSA-N 467.910 0.729 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1829771255 OAQAUKAIPPXOGZ-UZQCKINESA-N 453.499 0.263 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cc(OC)cc3F)C2)C1 1829771467 RARZFWYNARNROW-VMXOYPLMSA-N 479.480 0.902 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1829771540 UXUBKSKBHYTNMH-SBUXQGASSA-N 494.548 0.211 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)CCO2 1829845604 DJOQXILFXPJKNV-YGKZAACZSA-N 499.630 0.930 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1831208820 QYUXYBRYPGTVEV-SANMLTNESA-N 479.533 0.933 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)OCC=C)CCO2 1831438990 ZIWMAKUDLHHEBA-IMWIBFENSA-N 479.574 0.951 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1831484271 VJMYLYFLSZZQEP-CWMLTSOLSA-N 493.626 0.577 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)CC1 1831664628 FGEOBLAZLDAMAI-QAPCUYQASA-N 456.499 0.700 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832354246 SXJMBMQLBIYIQH-VNBJOJGYSA-N 488.585 0.092 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1832454437 NXVGAFFCZNDTJH-QRQCRPRQSA-N 478.571 0.368 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833614231 AZSPZKOHWCGIFT-HSZRJFAPSA-N 476.599 0.907 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 1834519076 KZFSYTNNAXRKEX-QFIPXVFZSA-N 456.543 0.674 30 20 JCED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116426 MQQIGNUKXPJLSA-UHFFFAOYSA-N 452.621 0.787 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835145322 XVRORLNUQORCJG-CVDCTZTESA-N 478.567 0.345 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835495052 FXVAJBAIJSUHSG-YNMPAXSUSA-N 498.540 0.866 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1)c1ccc(O)cc1 1835765678 CQKRYAHMGVFCKQ-ZJCBTPCYSA-N 487.553 0.408 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4nnc(C)o4)CCO3)C2)c(C#N)c1 1836025406 KWFIUXQAPRVLNN-QHCPKHFHSA-N 469.498 0.500 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cn4[nH]cnc(=O)c4c3C)CC2)CC1 1836090159 UJKFBYHJWNGYGD-PLNGDYQASA-N 495.584 0.375 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cn1 1836378328 IGEYZJVXPAKKCE-QFIPXVFZSA-N 461.540 0.110 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1837309439 OHBGCBVLWASSRY-GLDPYIMESA-N 471.558 0.820 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1837444193 RHNQAOVQIDEKRC-ZZAWEDPDSA-N 460.535 0.207 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837633131 FUCCWPOSNFEJMY-KJXQILNXSA-N 465.572 0.863 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)c1Cl 1838640733 SVJVSFGCXDICQF-OAQYLSRUSA-N 457.874 0.679 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)CCO2 1839043905 ZCDKCJNEGKUOFS-SANMLTNESA-N 495.576 0.951 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(c4ccccn4)CC3)CCO2)C1 1839051134 VDGDEBXLFUSONH-CPJSRVTESA-N 470.570 0.793 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1 1839175849 IFQPPZDEKZIAJY-XMSQKQJNSA-N 453.536 0.257 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)CCOC1 1839191270 BIPRYBIVQAYZRU-FGZHOGPDSA-N 466.535 0.430 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1839492190 ZBXPJIIJUQDUKG-QHCPKHFHSA-N 454.531 0.915 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1839846640 YYHCMXUDFYNUIH-OFNKIYASSA-N 472.579 0.351 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)ccc1Br 1839865212 NQZNJNGONNEGEV-FQEVSTJZSA-N 479.331 0.656 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840166561 PVVQGQJGNCRLKZ-JPYJTQIMSA-N 467.563 0.522 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840174575 LXTNZLVSIBDATR-SBUREZEXSA-N 483.562 0.865 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3C)CCO2)C1 1840388156 OXEUDJFWDLLKMW-HSZRJFAPSA-N 462.547 0.938 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840450265 YRHXEBCOCOZYBJ-FDDCHVKYSA-N 490.561 0.041 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1840763479 GCCFTNYNBQMFCO-BXKMTCNYSA-N 472.542 0.940 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C(=O)OCC)CC3)CCO2)C1 1840816907 VWZDTPWRKIDTKJ-WZONZLPQSA-N 467.563 0.902 30 20 JCED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844260336 PMRRWCVIEDJLCU-XQNSMLJCSA-N 454.568 0.358 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 10666738 LVSWTQZPISTJAV-UHFFFAOYSA-N 468.557 0.902 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nnc(-c3cccc(F)c3)n2)CC1 27584279 VDLUIZMNKWLSAA-UHFFFAOYSA-N 455.475 0.884 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC(F)F)cc1 502050301 OJJYHJGHXSHCIU-UHFFFAOYSA-N 475.477 0.500 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2cc(C)ccc2F)CC1 520985520 HNQWZKDLSIIXMN-UHFFFAOYSA-N 480.569 0.747 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(C(=O)OC)cc3)c2=O)cn1 522387334 JHORPLJEPMCLMO-UHFFFAOYSA-N 463.519 0.684 30 20 JCED N#Cc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)nc1 604195995 YYQQCWQKZPTNKG-UHFFFAOYSA-N 454.512 0.036 30 20 JCED Cn1c(=O)c2ccc(C(=O)OCC(=O)Nc3c(C#N)cnn3-c3ccccc3)nc2n(C)c1=O 726995879 CKWJZVPACAPPGN-UHFFFAOYSA-N 459.422 0.485 30 20 JCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(=O)NCc1ccco1 744908692 WIKBLKCZPGAHIM-JHOJOOQCSA-N 475.527 0.852 30 20 JCED CCOCCCNC(=O)[C@H](C#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 916867822 HCWFDVDRIKIRME-MRXNPFEDSA-N 453.517 0.581 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCN2CCCCC2)C1 1316354532 QTJHCKLIZYLZAY-GOSISDBHSA-N 451.597 0.837 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCOCC2)C1 1316356939 PJZSRAIAZKPWKG-QGZVFWFLSA-N 468.580 0.283 30 20 JCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN(C)S(=O)(=O)CC 1499164185 KSKVIDUWZPFTBV-INIZCTEOSA-N 461.596 0.889 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1517022865 JGNRZJCGSNGZNO-FQEVSTJZSA-N 474.522 0.525 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3(C)CC3)CC2)c1C#N 1543002198 RPTKOKXTRCKCJC-HNNXBMFYSA-N 461.596 0.929 30 20 JCED CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1696582584 IORFGDHVEXOWQO-KRWDZBQOSA-N 452.519 0.811 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1711407291 XLFPMDNKIATEMU-UHFFFAOYSA-N 494.600 0.999 30 20 JCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740743386 VDNMCHROGNLTED-CYBMUJFWSA-N 461.386 0.998 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1778082876 YVCDYLSTJYYUDV-YDIMBITNSA-N 461.559 0.848 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N2CCN(C)CC2)C1 1780639036 WBUJOSFJCHWKIW-DBYOASNMSA-N 450.624 0.709 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)C(C)C 1781386821 LRGNWSDHYPTDKW-XFAGBWLFSA-N 491.589 0.738 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1781396316 QOQQVPHKZOXDSL-DRSNIGMVSA-N 470.567 0.893 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1783157850 VOHZZLKPZAUHBG-KSFYIVLOSA-N 452.552 0.941 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1cccnc1 1783557357 FVJJYCWBHFWRTI-AUSIDOKSSA-N 472.498 0.565 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1783603583 NRNZIFQJBOTYQE-KNUIWWCGSA-N 469.567 0.883 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@H]4CCNC(=O)C4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089040 WXBQKKJBFGSLTQ-LLJLJFOGSA-N 476.574 0.908 30 20 JCED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCOCCOCCOC)CCO2 1784203089 ZTESNYSFHVOMJS-HSZRJFAPSA-N 454.564 0.706 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1784784516 PNYXZGBXJYAEKJ-ICUGJSFKSA-N 477.566 0.683 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccc[nH]3)[C@H]2C1 1785246309 NBRYKTUNUNJFTH-LNLFQRSKSA-N 458.563 0.396 30 20 JCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1789809841 KTBXFPANOLGZET-FSGKZVOOSA-N 463.575 0.997 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791266424 XGTVFCUBCZVFCN-YXMSTPNBSA-N 473.592 0.741 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1)N1CCN(C)CC1 1792833612 HSLUQWRXBSMETP-UWSZBUKDSA-N 453.587 0.716 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1793359365 WFNIGWDSQGDPCW-VLUPQCQJSA-N 467.563 0.395 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1793385321 JNOSMCBXGXYHCQ-CRCOGDFISA-N 459.609 0.806 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2 1795597340 FZPFHOUVJPFFHT-CUDBPUKSSA-N 481.597 0.907 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O)NC(=O)OC(C)(C)C 1795639513 HLNBYXURSUDTBP-PHSQPZKOSA-N 481.594 0.028 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1797779782 RFQCNQDMKMGORD-BCEDRHLLSA-N 460.498 0.928 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)nc4cccnn24)C3)c(C#N)c1 1799238706 VSWFMYOLNHJPSA-MRSFGVLCSA-N 488.504 0.416 30 20 JCED Cn1ncnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799708435 MVAJFOVEYKHPAF-MIFYACCESA-N 459.304 0.966 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799979832 GNFDNYGIHFQRAF-AXBMQTGBSA-N 476.574 0.711 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C(F)(F)F 1800550467 RKXRALZMJXBOSK-CRWXNKLISA-N 451.442 0.580 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(Cc1ccccc1)C(=O)OC 1800852290 ORJWSZOVAPPBJU-RQWRPHEBSA-N 484.553 0.703 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C)C1)C2)NC(=O)OC(C)(C)C 1801932142 ULRMIRVTLKFLRG-AJYBTWMASA-N 450.580 0.997 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801993437 UJFFQQMTNWMRMH-MHORFTMASA-N 475.542 0.986 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1C)C2 1802124960 LKXRAFKVIFSCMI-SFNKJDCFSA-N 459.547 0.848 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1802141384 LDLBHPUPQOXKTD-PZPPHJHLSA-N 485.603 0.480 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1802481024 GWDIWWCBAXNVMU-AMIPKAHJSA-N 454.575 0.193 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1802491377 ZQGLCZWWGFJQFT-YUVPUZHMSA-N 450.499 0.203 30 20 JCED NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1807192780 XQSJCVVVOWASHR-JQVVWYNYSA-N 455.559 0.379 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1811730388 UFPZJWZXLNFWGS-XXBNENTESA-N 469.517 0.699 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1819363590 HXRGFYDRVZHZOE-UONOGXRCSA-N 455.479 0.415 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1819391920 ZHLHYDGBNRRVHM-GNFOSXPUSA-N 479.607 0.604 30 20 JCED COCCOCCOCCOCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1822264750 JFZADBPVZJIADN-KRWDZBQOSA-N 466.491 0.186 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C(O)O)CC3)CC1 1822805204 SWYNMPPTJREQBW-LBPRGKRZSA-N 479.559 0.907 30 20 JCED C=CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1828584156 WZOFWEPRZZCBSK-HXOBKFHXSA-N 461.515 0.340 30 20 JCED Cn1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)cn1 1829332723 WBRVJSTVVTYPDY-DEOSSOPVSA-N 479.493 0.574 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cc3ccccn3)C2)C1 1829773138 BWQRLDGGTSAOEA-AMQNAFGZSA-N 456.543 0.575 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830592302 NSAQCDZOUFSUKS-MNRMEQJISA-N 465.547 0.130 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831219100 RPYHENSUIBUEKP-MBSDFSHPSA-N 465.547 0.132 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1831401754 DVEAAONOZBYUGT-ZWDAVXSWSA-N 450.919 0.868 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1831490705 JFIMIIJOFMYRBS-AUSIDOKSSA-N 476.599 0.901 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1831997530 BPPWWDOFVJQXRV-QQMNAOGKSA-N 482.578 0.424 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832005201 WGNZOPPEDKWHNM-WZONZLPQSA-N 499.630 0.998 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832155655 HUPIFEBAEXFWLV-MSOLQXFVSA-N 450.458 0.038 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1832458292 KQJGWRDMVQHLRA-PMAPCBKXSA-N 499.630 0.590 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](S)C(C)C)CC2)CC1 1833449376 XAKZMQBTTAEQTQ-YJBOKZPZSA-N 462.682 0.840 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833653228 ZQQTYWCTFFAQFA-RDPSFJRHSA-N 469.542 0.910 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1834945299 YVFAQPXCEXXJEV-WZONZLPQSA-N 468.595 0.864 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCN(C)CC4)CCO3)C2)c1 1835402990 XJSDRCNPUJIHBM-VWLOTQADSA-N 485.585 0.274 30 20 JCED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)C#Cc4ccccc4)CC3)CC2)CC1 1835481399 VXUQQDCMYLRBLU-UHFFFAOYSA-N 451.615 0.857 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835644213 KXYBRXJFQIVJEH-BQNPTPDXSA-N 466.583 0.094 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)C/N=C/c4ccco4)CC3)CC2)CC1 1835778916 AKJSGHBLSNZIKH-YZSQISJMSA-N 486.617 0.434 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2ccccc2=O)CCO3)c1 1835993186 QNPCKVQLWKZPCD-VWLOTQADSA-N 464.522 0.809 30 20 JCED CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CC1 1836675660 DBLQQQXTASNVEU-HSZRJFAPSA-N 459.522 0.015 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2)C1 1837499992 VCKOSUGXHGYQKU-VIZSFHNOSA-N 466.531 0.706 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533210 LGGQSKRIINRKBP-HAGRQHFESA-N 477.562 0.565 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1837559793 ICGGJTITFWEKNK-UDDIYGBUSA-N 469.494 0.995 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1)c1ccccc1 1837610481 SRXOOFGXDGXSLR-SQJMNOBHSA-N 470.570 0.911 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1noc(-c3ccccc3)n1)CCO2 1839034008 KEBYBECZGJCOSF-QHCPKHFHSA-N 468.466 0.214 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)N1CCN(C)CC1 1839103798 XLTGVTYQAQPNPN-CLOONOSVSA-N 487.576 0.332 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138959 SLVFAYYMMAYCOT-JPYJTQIMSA-N 485.578 0.575 30 20 JCED CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1839212322 XMTVTKFMUJGYIM-KSFYIVLOSA-N 467.519 0.224 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1839223287 RMDMAEZEDXTRRJ-IERDGZPVSA-N 466.560 0.735 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C1)C2 1839738841 IOBLDYLGLYCIIT-BXKMTCNYSA-N 487.557 0.628 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3F)C2)C1 1839806278 IBGHPVIUSVTARY-JLHGSKIFSA-N 453.511 0.671 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(S(=O)(=O)CC)ccc3OCC3CC3)C2)C1 1839809233 IWIXSUDGOYZOMA-DEOSSOPVSA-N 490.578 0.972 30 20 JCED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840040885 CLGROOHRQCUGAV-DGGJZMOXSA-N 477.514 0.000 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840045274 AZQNFFIVWIRWMB-HXOBKFHXSA-N 479.530 0.320 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1840147495 VMZSBNDNINRSRC-FYNVVKEXSA-N 478.590 0.894 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840162649 CVVDNIIWTYZTNV-MDOVXXIYSA-N 461.581 0.037 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840176185 YPQFSTOJRGAZRX-FCHUYYIVSA-N 453.536 0.391 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1)c1ccc(O)cc1 1840221468 TWTWWWQWNITLPF-FQRUVTKNSA-N 496.564 0.954 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CC)NC(=O)OC(C)(C)C)CCO2)C1 1840804231 ZSINODXZVGLDNP-STSQHVNTSA-N 467.563 0.784 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840811696 SMNUNLQMOSHAOE-KNOQFWTLSA-N 484.553 0.316 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)C3)C2)CCC1 1840813208 MNMRVVTUJJXARI-VWLOTQADSA-N 496.568 0.172 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1840818956 HKGHLZOPOUVWGR-OAQYLSRUSA-N 457.512 0.746 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1 1840906931 LVTSZAJALPMLJK-WZONZLPQSA-N 473.530 0.463 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1840907451 VSMBLYHVJZSPPF-SBUREZEXSA-N 481.546 0.313 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)C(C)C)C2)C1 1840907484 WVVUHOXOWRUPGH-YZZKKUAISA-N 467.563 0.376 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1840908159 BTIXKPZIBYJBLU-GBWYYYKWSA-N 493.601 0.911 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCNC)C2)C1 1840912726 NKKUKRLAFCXGFD-DQMJNTIXSA-N 480.606 0.912 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C1 1842872597 RHPOGSPPPJVWDZ-SJORKVTESA-N 494.637 0.919 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C[C@H]2OCC[C@H]21 1846181794 HHPOBAQUEJTPCA-GVDBMIGSSA-N 461.515 0.692 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)C(F)(F)F)C1 1846400661 DDFMEZDTCVSOJR-CYBMUJFWSA-N 460.453 0.785 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c1 16559389 REORIKGDDJOJRJ-GOEBONIOSA-N 456.542 0.179 30 20 JCED Cc1ccc(C(=O)NCCS(=O)(=O)NCc2ccccc2)cc1S(=O)(=O)NCC#N 519494140 KSAVFZHBGSNCEO-UHFFFAOYSA-N 450.542 0.646 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccccc3OC)c2=O)cn1 523577322 WLURMEYJSGTSRR-UHFFFAOYSA-N 453.524 0.390 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)o3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 608828094 FQYXAPRLMJBHKF-UHFFFAOYSA-N 491.573 0.567 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O 608911174 OQLZQPOIZBAWLR-UHFFFAOYSA-N 464.469 0.976 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 728533157 BPKREIXOAIIIOD-QGZVFWFLSA-N 452.602 0.351 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)CC1 728536029 FLQQSQDJZBOQFI-UHFFFAOYSA-N 462.572 0.423 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(Cn3cncn3)cc2)CC1 878456861 QRIBEFHBZWQYQO-UHFFFAOYSA-N 494.533 0.888 30 20 JCED CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 918244342 UAPLOEFOIANDHS-FCBDOIIFSA-N 479.603 0.911 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O 919014080 NSEHVZUMFDLLOJ-JOCHJYFZSA-N 492.554 0.092 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1287606138 VLRCRSNMQJPCMR-KRWDZBQOSA-N 452.581 0.805 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1cnn(C)c1 1288863019 MYFWTFZOKVZRHP-INIZCTEOSA-N 469.575 0.868 30 20 JCED C[C@@H](CC(=O)NC1CCN(CCS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1293023559 SRHLXKCBWRFPGH-AWEZNQCLSA-N 456.590 0.129 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccsc1)N(C)C 1303866541 IYWSBZKMNXYTHO-IMJJTQAJSA-N 453.594 0.981 30 20 JCED C[C@@H]1CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1494532038 WFDCKQOSFQIUHJ-BRSBDYLESA-N 452.581 0.408 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1518520144 PVPPJAZWQZEARF-IRXDYDNUSA-N 476.559 0.876 30 20 JCED C[S@](=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1519626470 JBPOIAXOYGVHME-HOLBHBGLSA-N 456.594 0.262 30 20 JCED C[C@@H](CC(=O)N1CCC(N2CCCS2(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1570311280 MSMKEVNKIHXCIT-AWEZNQCLSA-N 454.574 0.530 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 1690866443 RTUPPECDMDUMFQ-HXUWFJFHSA-N 471.587 0.604 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CCC1 1692662805 IOTRBVYHBIIJGG-YSVMAZNTSA-N 458.610 0.651 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCCC2)C1 1712707133 WQXZMXRQLWHCGU-JKSUJKDBSA-N 454.553 0.035 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1731012783 OLNQWJBTLNHYEG-UHFFFAOYSA-N 473.559 0.337 30 20 JCED CCNC(=O)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1746498657 LODHZONFVQBWSE-ZWKOTPCHSA-N 458.544 0.707 30 20 JCED CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)N(C)C 1766414497 RSQYNNYQOMABAP-UHFFFAOYSA-N 461.592 0.900 30 20 JCED COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H](C)O1 1769490133 VYPGQMQDLAVKDA-LPHOPBHVSA-N 475.571 0.997 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC(C)=O)C1 1781789201 XADHTVAGBADOGW-VEBYGKHWSA-N 478.590 0.942 30 20 JCED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1782197636 YIPLPHQHFHZEEO-WAIKUNEKSA-N 474.583 0.931 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1782467902 VKVOBSQPEOORIH-UGTJMOTHSA-N 459.547 0.009 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)CC1 1783165703 TVBUZLWAGBLIEI-MZNJEOGPSA-N 489.573 0.493 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565379 LFYPHAFSQKOPKL-GAJHUEQPSA-N 457.483 0.467 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1783731595 JBUIVFLAHTUMRQ-CYFREDJKSA-N 471.558 0.783 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1783899948 INMBWHHNRSBHIJ-WIEQDCTASA-N 487.623 0.476 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784196663 GNWKCLPKDMLOGV-VMXHOPILSA-N 483.606 0.815 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1784785805 MVSMHFMMRWITJR-JCECYMMASA-N 481.594 0.028 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1785578486 ZSVFFSZEAZHUGE-WZONZLPQSA-N 459.547 0.709 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1785682428 OONUYBYBSXMJAL-IIBYNOLFSA-N 453.511 0.814 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1)NC(=O)OC(C)(C)C 1786648919 GPTOBENCUYGJAO-XSLAGTTESA-N 487.619 0.870 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccc(C)cc3)[C@H]2C1 1792250357 GKSIDVDMUVPWJJ-LEBGWRHOSA-N 468.554 0.563 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]21 1792255360 JEJPBPRCGVXCQC-TXTZMMAHSA-N 464.563 0.394 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C2 1792484832 WKEBRKJFBJWWMK-QSKWJVMOSA-N 462.547 0.444 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793053278 VEQFWVJRUCLUSE-YQYRJILISA-N 484.553 0.992 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)OC 1793367043 FPLHDOSXFJNGIN-FVSFCRNKSA-N 497.614 0.952 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O 1793374683 PRGPIGJHOIGOBS-DFBDCSAJSA-N 485.603 0.173 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C[C@@H]2OCC[C@@H]21 1795083921 QEYYPJQNVUPVNL-NQKDJWEYSA-N 462.547 0.904 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)CC1 1795417171 UJKINJRFIWNFSK-ALXJQNPVSA-N 450.536 0.642 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1797704503 PVFRNVCHFZJSSG-PJVZLEMVSA-N 481.590 0.785 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1797781152 ZIFVCMOMPZVKAA-FEJSZKPUSA-N 451.527 0.720 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1798471587 PJFQZOVQVQWCLE-GVNJEPHMSA-N 453.492 0.648 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCNC(=O)OC(C)(C)C 1799260879 WZFNFQRRBNZDKZ-VXIBKDFQSA-N 470.567 0.918 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O 1800542213 VJQBWVXAAPZXFU-XSDDWTICSA-N 464.563 0.572 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1cccc(F)c1)NC(C)=O 1802042079 DLADGRCBYOZJOP-QRICJDHISA-N 489.544 0.972 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)n(C)n1)C2 1802124964 LLZINTYWFZUKQY-SFNKJDCFSA-N 459.547 0.848 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)/C=C\C(=O)NC2CC2)[C@@H]1c1cccnc1 1802481336 HSABQQKOQQMOCU-LSLCMVKLSA-N 451.527 0.781 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1803506260 IHXBKUDUEIPHQK-YSHGAJCASA-N 466.604 0.988 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815670969 SGDVMQFHAKAHGG-SJORKVTESA-N 467.592 0.705 30 20 JCED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)c1cc(=O)n2[nH]cnc2n1 1817468582 FAKMPHFMNVRDAU-PDYUXYPTSA-N 466.506 0.918 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)C(=O)Nc3cccnc3)sc2C1 1820043801 QUCGRFJRQDYIPV-MEJMFZKBSA-N 454.512 0.947 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC3)c1 1821384115 BLDIWNUGDHZRHO-HIFRSBDPSA-N 456.528 0.842 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1823385508 IPKKDCYFYSMPRB-CVEARBPZSA-N 465.470 0.951 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1824266540 SDECBPHQRZYJJJ-ZWKOTPCHSA-N 465.547 0.970 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)CCOC1 1825671084 ZGQTZMZOOIUFKD-GTJPDFRWSA-N 478.527 0.827 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803696 HNCVKXXOOVVGTR-IEDKYMRDSA-N 474.495 0.860 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)CC2=O)c1 1829637901 SFYIGVJGEKIBLQ-HXOBKFHXSA-N 456.499 0.418 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829713348 LXIHJKCJDOPZTG-QEPGBGQSSA-N 470.592 0.021 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1829762284 CHSPMJSJTPHXRG-VKUXZERMSA-N 450.442 0.288 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831277173 ZIQSKHJZUUTYEK-GAJHUEQPSA-N 482.578 0.438 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1831398598 HRHLZVYSROUXCL-XDHUDOTRSA-N 455.511 0.680 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(NC(=O)OC(C)(C)C)(C3)C4)C2)C1 1831401369 AYAYDXQVPPHSKL-JFAQQGEVSA-N 491.585 0.929 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)c(C#N)c1 1833125016 FNTJPTHHPKKPKO-DEOSSOPVSA-N 465.510 0.598 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)CCO2 1833223412 USWGEPDCPKZDMU-RUZDIDTESA-N 495.488 0.112 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 1833769574 CXJZZBZRMRGDSH-SFHVURJKSA-N 455.559 0.421 30 20 JCED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)C4=NNC(=O)C4)CC3)CC2)c1 1835698346 MLKIFQGSRXXVGM-UHFFFAOYSA-N 450.543 0.938 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1835705601 LYGPCGPJEUBAFO-AMQNAFGZSA-N 454.527 0.511 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1835712895 KCDNRWXAKZLQCG-LJQANCHMSA-N 493.630 0.596 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)c4nccnc4C(N)=O)CC3)CC2)c1 1836259545 PJHAAPSAXOQKAV-UHFFFAOYSA-N 461.526 0.946 30 20 JCED CN1CCN(C2(C(=O)NC3CCN(C4CCN(C(=O)C(C)(C)NCCC#N)CC4)CC3)CC2)CC1 1836376931 GNULTZPZRMMBFH-UHFFFAOYSA-N 487.693 0.620 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc(C)oc1C(F)(F)F)CCO2 1836511494 YYBHWIHWKQGBNJ-FBQMEGEOSA-N 486.447 0.930 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cn4cccnc4n2)CCO3)cc1 1836883107 MBVHLDPOFPZKJN-DEOSSOPVSA-N 460.494 0.914 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1837000723 ZKAICHBJNHJDRE-XTVKVDEJSA-N 454.531 0.876 30 20 JCED N[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)c1cccnc1 1837527768 VWBINAUGDKJXMX-YHLBKWEDSA-N 475.546 0.457 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837527806 WTTPZNYMABYLST-AMGMZLQMSA-N 452.552 0.458 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531040 WIQABHCIFFNZAK-BPHSFESTSA-N 463.535 0.554 30 20 JCED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c(O)n1 1837531678 SUHGGVOVYSIMHQ-VFJYRVFXSA-N 462.503 0.695 30 20 JCED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CN)CC3)CC2)c(C(F)(F)F)n1 1838007797 KNZQFZSNUDTUCM-KRWDZBQOSA-N 468.480 0.870 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnn(C)c4)C3)C2)c1 1838583528 HWKWRIIDDGRBAC-HSZRJFAPSA-N 453.499 0.613 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(CO)on5)CCO4)C3)c2c1 1838804878 DCGGSQFAMOHWJG-QFIPXVFZSA-N 466.454 0.299 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)c(C#N)c1 1839131441 YNSHBYDPLDRVBM-DEOSSOPVSA-N 488.610 0.615 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1839167219 NCXKHBRDOPSOBA-ROEJJBDBSA-N 480.562 0.047 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839175105 PHQDWTBWGNGLGB-XMMPIXPASA-N 462.543 0.651 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1839184811 DFQILHSRPSDRIZ-DGGJZMOXSA-N 496.561 0.411 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C)c([N+](=O)[O-])c1)CCO2 1839189647 XKSNFODVOAYNAM-WNWNSBFKSA-N 486.525 0.761 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccnc5C(N)=O)C4)C3)c2c1 1839487370 FCIOSGZZSGMTPR-DEOSSOPVSA-N 489.492 0.312 30 20 JCED CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488792 FRAFTLAPZMJDDJ-HJPURHCSSA-N 454.531 0.845 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C1)CCC2 1839583195 VTFQNOMQEMVAGH-HSZRJFAPSA-N 458.563 0.261 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)cc2C1 1839621932 BCANOJKHOWTNBX-ZVWIGDQWSA-N 484.557 0.501 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCCO3)C2)C1 1839808575 TZXARUJBLYMIAA-VGSWGCGISA-N 451.520 0.102 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)CCO2)C1 1840008593 MRKBYRFZUMPFMF-NYHFZMIOSA-N 498.602 0.527 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840165143 OPCLEPSSQIKPHK-ZSDSOXJFSA-N 489.591 0.218 30 20 JCED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1840466917 CWYWSBNVBLMMPD-QHCPKHFHSA-N 453.499 0.370 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1ccccc1=O 1840819698 AQNZJYOQUXCNNZ-UQBPGWFLSA-N 480.521 0.816 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cc(C)on2)C1 1844310478 XQEMQZQETPBNDI-MRXNPFEDSA-N 473.530 0.833 30 20 JCED C=CCn1c(S)nc2cc(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)ccc2c1=O 29087784 XAPSZZQJXFCERW-UHFFFAOYSA-N 457.556 0.488 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccc1 502050985 LBGMHNAIXAQBSQ-UHFFFAOYSA-N 465.579 0.932 30 20 JCED COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN(CCC#N)CCN3CCOCC3)nc(=O)c12 514340824 INBXFECQCROQBC-UHFFFAOYSA-N 477.543 0.535 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)CC1 517184100 WFZBTTZOJHGSJE-UHFFFAOYSA-N 479.522 0.670 30 20 JCED C[C@]1(c2ccc(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc2)NC(=O)NC1=O 523835933 ARUMCPMSAOWDBJ-OAQYLSRUSA-N 455.496 0.863 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 608827990 BPRURBZWCCFXIQ-CQSZACIVSA-N 463.519 0.047 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCNS(C)(=O)=O 608912740 YXNJOFMNXVHDME-UHFFFAOYSA-N 462.597 0.105 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCc1cccnc1 609038251 KRJDOADRGZYNJQ-UHFFFAOYSA-N 478.530 0.542 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2CCc2cccnc2)CC1 609038613 UDPZRXRJXGNLCA-UHFFFAOYSA-N 474.590 0.610 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 728533682 OWDNOYBUPJDPBY-HSZRJFAPSA-N 498.580 0.835 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)/C=C\c2ccccc2)CC1 728536161 MSVIWSODMHWOBL-PSXSOWLISA-N 478.640 0.592 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccsc3)c2=O)cc1 916193877 PSKVPAQJFBBOET-UHFFFAOYSA-N 496.614 0.921 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 917207305 UCOIOJDBSZQLCP-KRWDZBQOSA-N 486.550 0.716 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)cc1 918310807 PYTMZUFJNJRJEY-UHFFFAOYSA-N 483.550 0.866 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)c1 918635554 QXZSGFBGQQMBIQ-PTGBLXJZSA-N 482.588 0.930 30 20 JCED CCN(C(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 919315585 ITRULGLZSMNQOE-PBHICJAKSA-N 456.542 0.440 30 20 JCED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286543490 KBIQKKZKDQTJRT-UHFFFAOYSA-N 468.400 0.956 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1313991759 TVIXOMJVDKHSDC-UHFFFAOYSA-N 462.562 0.836 30 20 JCED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1316075181 ZPSSSUWTJUKASP-GOSISDBHSA-N 454.535 0.521 30 20 JCED Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1466940068 QIJJBMVTKJMQMH-HXUWFJFHSA-N 452.496 0.492 30 20 JCED CC[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1503297644 PUIGTIUYHPBHAH-WNNBVUDTSA-N 458.610 0.510 30 20 JCED COc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1F 1518227083 JHKCZVHAQVYGBC-APWZRJJASA-N 494.549 0.730 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541138410 WPIPJLSEUOCZAD-DOTOQJQBSA-N 463.608 0.519 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1554451525 IVOXTTNCZFWASK-MOPGFXCFSA-N 488.570 0.647 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@H]2C1 1589404856 MTRZFVNAOLPMOM-CABCVRRESA-N 491.412 0.040 30 20 JCED CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1596008068 ZJAFRCRTRYIFFX-FQEVSTJZSA-N 481.557 0.892 30 20 JCED N#Cc1ccc(N2CCC[C@@H](NC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)cc1 1633898324 ZTSRCUCSEBYCRI-NHCUHLMSSA-N 453.543 0.883 30 20 JCED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1770340260 PLHRJTRXKYXUHV-GOSISDBHSA-N 455.544 0.950 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779423336 LEGQCYVSQQMJQJ-GVXMHFGOSA-N 468.551 0.180 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)c1 1780168898 VNCVPZSAFVIYEC-JOCHJYFZSA-N 451.439 0.812 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1781295921 XPUIVKBMOLCZHA-VGOFRKELSA-N 462.551 0.968 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CN)C3)N(C(=O)OC(C)(C)C)C1 1782301970 GCGBDJMXFAAGTE-VOLVWJTLSA-N 465.595 0.352 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1782597281 CGBILBYCHPYVQG-RDPSFJRHSA-N 452.559 0.864 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783635384 NLNCFHQQJNPLHI-VMXHOPILSA-N 476.574 0.409 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783680067 WESPNPLJYXNDRU-NXOAAHMSSA-N 452.552 0.792 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1785518073 YVQBQNNEXIFDLA-IVZQSRNASA-N 466.535 0.822 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1785573293 XWLFICIOVFLYQA-HKARXFIJSA-N 462.547 0.259 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1785576948 RMDHOCWYNWAFGY-RNHFSVANSA-N 491.633 0.369 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4nc(N)n[nH]4)[C@H]3C2)c(C#N)c1 1788504836 PJIVWVDLZQXJQM-SNRMKQJTSA-N 467.530 0.422 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906415 ULJXQPOCULWKSK-CQEAQJRCSA-N 465.547 0.900 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906798 JVCBMKAHSBZYAE-PFSLXQJOSA-N 462.478 0.284 30 20 JCED O=C(CN1CCCCC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791181482 ASTWZYVYTHYGLO-DSCBYRQKSA-N 450.536 0.508 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791379271 YGEMCIIZLMELEA-RABCQHRBSA-N 478.590 0.255 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C3)C1 1792442602 RMNNNRPPBRIMOW-SFNKJDCFSA-N 465.547 0.999 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 1793009623 SRZFOEYZWSSBKV-XQPJFTJZSA-N 479.599 0.843 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1793084779 OIIUPWYTTXSIJI-MUDMKHIHSA-N 498.577 0.381 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 1793353835 GJQHYMBFUKVCCG-OKYOBFRVSA-N 481.590 0.929 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCNC3=O)c1Cl 1794974223 KQYYCVPZXMQVAE-HBCWATKFSA-N 468.901 0.669 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796954966 HQWKQNIVJOFKSX-YYIAUSFCSA-N 485.545 0.797 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnc4ncccn34)c2c1 1797028371 IPJJPZKFSAOQIL-CCWDJLKJSA-N 456.466 0.994 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797743813 TVYKCWYIEOTHAL-IPDFOXIDSA-N 451.568 0.963 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)nc1)C2 1797816019 YVAMESRLFKAHNZ-UAEVFREFSA-N 468.514 1.000 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C3)c1 1798576543 HSDUGHUNOISRFZ-JGDVQOIXSA-N 471.539 0.573 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)N2CCN(C)CC2)c(C#N)c1 1799185623 KUKHLFWOTZZPPK-JWIQCUOBSA-N 469.586 0.335 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799196002 LPAXMSWZACIZQG-COZGXFGHSA-N 471.620 0.758 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccncc2=O)N(C(=O)OC(C)(C)C)C1 1800199252 JNGZUOVXQLWABM-NYUBLWNDSA-N 487.557 0.399 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800204500 GHDUQTYVASWIBK-UIVXKWKOSA-N 491.545 0.620 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1800716701 AJKRJBYDRKOGEK-DXXZMKCOSA-N 461.559 0.727 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 1800872018 CFTUPZFMMCUGNP-ZUMXRPEOSA-N 476.020 0.916 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)C2 1800988838 VBFSGNQUBLNGGC-PZTGFMGMSA-N 473.595 0.989 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801993449 VGQDMRSGVBWEKT-CWQOZTLDSA-N 491.541 0.759 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806082486 HRTUQXQOSFSIJK-FFZOFVMBSA-N 466.542 0.914 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1808848534 CYUWCWABASKSHG-XUWXXGDYSA-N 467.490 0.328 30 20 JCED COc1cc(N2CCC(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)CC2)ncn1 1812872860 IBTPHTAYWFOJCD-YADARESESA-N 492.536 0.891 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814230222 GLMAGAPQPIOHAK-LNLFQRSKSA-N 472.546 0.672 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330767 ZDXIHTSJYXKTJX-MNOVXSKESA-N 458.504 0.901 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=N/N2CCCCC2)CC3)CC1 1818895362 SBYXGLBVUSALAM-DMGPTTAYSA-N 475.619 0.691 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[nH]n1 1822201690 QGTYYWVMAUCXJF-CQSZACIVSA-N 474.437 0.688 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(-n3c(O)nnc3O)cc1)CC2 1825669562 NQHLUZGTTQCNGN-NSHDSACASA-N 468.451 0.449 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828571519 AVBVNJSACXPKRX-XMMPIXPASA-N 487.578 0.897 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330463 HLZRKFPPEOONEN-BXKMTCNYSA-N 484.509 0.038 30 20 JCED Cc1noc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)n1 1829630806 BTHSJAOPGPXVKN-QHCPKHFHSA-N 453.499 0.881 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1829773746 SOJVSFWBGFEWGH-RHVSLNNASA-N 453.536 0.090 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830056532 DKUKDLRTOYTDCZ-YTZAWJCFSA-N 494.589 0.610 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830467997 BVGKQLUAHIWLQW-GAJHUEQPSA-N 459.930 0.839 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)NCc1ccccc1 1830678033 YKOQXOZZGLFIEA-HRQIGODFSA-N 497.596 0.787 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831396366 DNMNHTRNQHFJIL-HOYKHHGWSA-N 455.511 0.604 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1832458276 JGVHYSHHBRECMW-JTSKRJEESA-N 487.619 0.638 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)c(=O)[nH]c1C 1833385528 MWIKCGJMQPRSRF-XMMPIXPASA-N 450.495 0.508 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cnc(OCF)cn5)CCO4)C3)c2c1 1833573144 UOISDEXNMWTUIG-HSZRJFAPSA-N 495.471 0.914 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833613328 JALJZVMLGNJRND-OAQYLSRUSA-N 450.605 0.828 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1833677426 IDVJOYKPGCNOES-LXHZQTKUSA-N 461.494 0.355 30 20 JCED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)CN4CCNC4=N)CC3)CC2)c1 1834703330 NEJBWYBUIZHURD-UHFFFAOYSA-N 465.602 0.902 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(F)cc3)C2)C1 1834756127 RTVJMMKJXHPAEK-WMZHIEFXSA-N 458.490 0.800 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1834760669 GQJHEGRPXQTHPG-QFIPXVFZSA-N 489.533 0.012 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)c1ccc(O)cc1 1835312465 ZKMSYKCXDFNGFF-HWHXTQLESA-N 469.538 0.624 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1cccc1C=O 1835674264 HVDWXDYLZMEFFY-JPYJTQIMSA-N 459.547 0.600 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835716165 ZXOPOKWFFFLJBE-JLSDUUJJSA-N 479.647 0.934 30 20 JCED CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)C(=O)O 1835767674 LHMDREMWJYSAFL-QLEVFDGYSA-N 467.567 0.150 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835769253 ONAJIOXHDMVYJC-HRJSYZDASA-N 463.579 0.778 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1)c1ccccc1 1836135912 DZJQEXSOHJCZQP-URXFXBBRSA-N 451.527 0.932 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1836484387 VBWQPWYLKZWIDN-DYESRHJHSA-N 463.922 0.729 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837046830 BOYBYSAANGPQFE-JHXRPTDYSA-N 479.534 0.066 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837211060 GHLCBFATLYXILI-DYESRHJHSA-N 480.905 0.346 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1837396412 CWKOEKPEWUNTLZ-SBUREZEXSA-N 469.579 0.883 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1837398901 KVHDCGZJLPVJRN-AVRDEDQJSA-N 466.604 0.981 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(F)(F)F 1837486961 VGJAVHYXCCNCFT-AZUAARDMSA-N 462.465 0.455 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1837529584 VRVAHNWVETUYFS-XRTQSOMPSA-N 471.514 0.933 30 20 JCED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1837955638 YEVBVCVHMFNMLQ-VJIOCRDPSA-N 462.503 0.689 30 20 JCED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(C(F)(F)F)n1 1837960620 LVYGVWWKOQTWRP-HXUWFJFHSA-N 486.495 0.791 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c1 1838583416 BFOTWKWPFJEPBM-JOCHJYFZSA-N 454.487 0.319 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2)c1cccs1 1838801220 AKNURWXFEHQRKK-YEFOHOTDSA-N 461.496 0.738 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)nn1C 1838836057 OKOFGRZJZLSOLZ-HSZRJFAPSA-N 469.498 0.449 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)c(C#N)c1 1839131376 DOODJRZYOCQBET-XMMPIXPASA-N 465.510 0.598 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)C(C)(C)C)C3)C2)c(C#N)c1 1839131417 XGTXXBTXJMUKGO-XUZZJYLKSA-N 459.543 0.973 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1839176553 UUAPGYABQFUAFT-RUZDIDTESA-N 488.537 0.982 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839220487 PHWBTPGYLGXEPI-DEOSSOPVSA-N 497.589 0.223 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839378795 DGZYELOOGAEMEL-MBSDFSHPSA-N 453.499 0.376 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)c(Cl)c1 1839423297 RRWDYVRDSIQCLJ-QHCPKHFHSA-N 498.927 0.535 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c[nH]c4ncc(Br)cc34)C2)C1 1839805793 QGTUNBUTORCTRM-FQEVSTJZSA-N 461.316 0.958 30 20 JCED Cc1noc(-c2ccccc2)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041692 CEMNOAOCGLMFFP-QHCPKHFHSA-N 453.451 0.808 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Br)cc4cn[nH]c34)C2)C1 1840042143 CVTGYHOTJWPEBD-FQEVSTJZSA-N 491.298 0.483 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840164789 QDXOBSSKVLYPPP-KKSFZXQISA-N 470.613 0.797 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1840168667 XYOIOSSMIGDPJM-DEOSSOPVSA-N 454.527 0.751 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840426097 MTRCBOQOVIHRKV-OKEGVBJISA-N 459.547 0.777 30 20 JCED C[C@@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)C(F)(F)F 1840818686 PTNSCFDBSWFTFZ-WOJBJXKFSA-N 471.432 0.707 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1840883277 VCZINTQUWOUKEZ-DVECYGJZSA-N 495.573 0.703 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)c1 1840897044 IUTJWPFIHMNFHB-JOCHJYFZSA-N 488.591 0.797 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1840908701 OONPRAVEAYQBPD-IUKKYPGJSA-N 465.547 0.396 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1=O 515560496 PDNXDTWSDXVYRT-UHFFFAOYSA-N 467.526 0.273 30 20 JCED COCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 519051637 NGDRMAKJCFGSJG-QUCCMNQESA-N 491.614 0.254 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)[C@H](C)CC)n(CC(N)=O)c1=O 608910643 BFWFCIOSUOIHPS-GFCCVEGCSA-N 458.496 0.820 30 20 JCED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC(C(N)=O)C(N)=O)c1 637274663 DFUJTPKHMAJAQQ-UHFFFAOYSA-N 450.904 0.790 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 727008910 YCKLPSCOFUNQGH-UHFFFAOYSA-N 484.534 0.505 30 20 JCED CN(C)CCNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cocn2)C1=O 730723276 GEWNZKOYPUMNSO-DVCONVQISA-N 494.599 0.390 30 20 JCED CCOCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 916867815 HCWFDVDRIKIRME-INIZCTEOSA-N 453.517 0.581 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCOC 917769130 TXNGXKVVBIPGDM-UHFFFAOYSA-N 459.524 0.331 30 20 JCED CCOc1ccccc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1296841883 RLVSGSVJHQRIHU-UYAOXDASSA-N 490.586 0.981 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1301774505 XKBCGESKNXDOND-REWPJTCUSA-N 488.614 0.771 30 20 JCED N#C[C@]1(F)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)C1 1459017211 KVBDRQOIJLZZAU-HXUWFJFHSA-N 452.508 0.622 30 20 JCED COCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCOCC1 1504650569 WTDUZPMSVOQOIU-SFHVURJKSA-N 482.607 0.794 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507868461 KMHNSKVJTJJUMG-QZTJIDSGSA-N 489.042 0.912 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1545929190 SHHJZIQQSABFHO-GOEBONIOSA-N 453.569 0.207 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)CCOC)CCO1 1554452443 XMSPTPXKKLPYQL-PGRDOPGGSA-N 458.519 0.467 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1615973045 PNFPVHVFWUTGFV-SJLPKXTDSA-N 478.600 0.769 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1711020749 YWZQWACEFVRHGP-SFHVURJKSA-N 459.576 0.872 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)C2CC2)CC1 1761546683 DOTALUVCRGHIMF-OXQOHEQNSA-N 452.581 0.902 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)c1 1770309121 PGNVRSWUFHNKFO-ZDUSSCGKSA-N 454.459 0.459 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c2ccccc21 1778167545 QECKZNAVETYZEH-LPHATQMZSA-N 468.558 0.642 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1778792451 OTCBYKZONGESJC-WMZHIEFXSA-N 474.514 0.853 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781201346 BIWKAMLPTXHKTE-HSZRJFAPSA-N 483.562 0.867 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015462 NTOIZSVPWKUSOG-SMGXNKOPSA-N 475.542 0.988 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CCO2 1783046085 JGQZESUNXITONZ-WAIKUNEKSA-N 480.562 0.868 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783247881 GWGDKEFQIZNUFQ-PDSXEYIOSA-N 469.629 0.934 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565734 YCMXWRVTYBMVNH-RTWAWAEBSA-N 453.467 0.253 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1)C(C)(C)S 1783781373 GZWCDHQKCWFPPG-PGKMIFDNSA-N 484.619 0.554 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cnc(O)nc4O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090514 VARGLQCTEMUOGJ-HJPURHCSSA-N 489.529 0.897 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785303344 LHCZSBLKNRPYOC-SAHWJRBASA-N 463.531 0.988 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1785552895 NTWRJNBQBXQQPP-KKLRGSPBSA-N 454.527 0.493 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1786790648 QHEASFBBJFPACW-FJIDUMEYSA-N 493.609 0.426 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1ccc2c(n1)OCCO2 1787382779 FPEFZTBLUSBYFE-USCOOSACSA-N 457.531 0.918 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n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c1ccco1 1791077903 MAXMRBYKPWNDSN-SZMVWBNQSA-N 461.471 0.306 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792560194 KEFOOOYSBVPWMW-PIKOESSRSA-N 458.515 0.533 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)C2 1793343415 WUHRCYHOOXUTOX-OUUBHVDSSA-N 479.574 0.640 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1793359036 IWVINZXQCRKHGO-DFBDCSAJSA-N 455.552 0.443 30 20 JCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)COc1ccc3scnc3c1)C2 1795084136 YSNNZOAMULBSJP-YEZVWNJWSA-N 471.539 0.685 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795470979 VCVLRNPSONVSFM-RCLSDMTESA-N 478.590 0.215 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@@H](N)C(N)=O)cc(C(F)(F)F)c1 1795636156 RZCCHOLLTHTZLH-CXHZTBPHSA-N 467.448 0.373 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2)[C@H]1SC(=N)NC1=O 1796426878 KOBLIEIPSIPEBI-OBWXAGNPSA-N 459.503 0.703 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ncn(-c2ccccc2)n1 1796540883 YFTOWSBWAVJERH-YDRXGEHBSA-N 468.514 1.000 30 20 JCED Cn1ncc(I)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1796747831 WTIOZJAIURXQJD-JJLQDPRZSA-N 494.293 0.741 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1799233257 PEPLIUFJUMSUIZ-AJYBTWMASA-N 493.605 0.544 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CNC(=O)c3cccnc3)C4)c2c1 1799883460 KUYFTIAYHMCCED-UPHUGPLXSA-N 473.493 0.463 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800988356 LXNCBNDRUOKCTI-XGYYKPKNSA-N 473.592 0.741 30 20 JCED COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cc1 1802231139 YYKMSNARZFMOIS-RMFSNUHRSA-N 472.542 0.723 30 20 JCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2c2cccnc2)CC1 1807736123 DEENZJNHNKKNQV-KBXCAEBGSA-N 454.512 0.856 30 20 JCED Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)c(=O)nc1O 1810288875 AEIJJPFMVJPNLF-KEYMTZHKSA-N 481.557 0.830 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)CN4CCNC4=N)[C@@H]3c3cccnc3)c2c1 1812069560 DWWXRBFAAKWLOK-VGOFRKELSA-N 471.525 0.989 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812390778 CWQBIBOXEGNCLU-DXNFLERSSA-N 455.471 0.343 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812877879 BWNSGPXEYMIXDF-QKLQHJQFSA-N 474.514 0.715 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)[nH]n1 1823386307 NSBNVAYFNCSSLF-NVXWUHKLSA-N 453.503 0.945 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1825755583 QXCNEMSOPLHFCL-RGDDPNHNSA-N 492.554 0.904 30 20 JCED CNC(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC#N)C2)C1 1828576946 WEATZWRIEDXANI-HSZRJFAPSA-N 455.515 0.878 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCN2C(=O)OCc1ccccc1 1828578937 FQNHAQORMUNEFX-FDDCHVKYSA-N 490.582 0.400 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1829762493 KUYOQHXEESKAAU-VNBJOJGYSA-N 488.585 0.092 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCOC[C@]4(CN(C(=O)C(C)(C)C#N)CCO4)C3)C[C@H]1CO2 1830060518 OXIIBLIJORHLFQ-DPSWKAHMSA-N 492.573 0.771 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830677550 GIJSTZYUOQGSNT-JHJFPORKSA-N 485.581 0.889 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830883245 DGPXXHAXPRIHHX-HXOBKFHXSA-N 491.545 0.232 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1831023244 KFNFGZHATSUMNI-SBUREZEXSA-N 456.499 0.836 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1831213300 ORLOFDUOKDOBEG-HSZRJFAPSA-N 460.552 0.720 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831330969 YIXYSBQKSICDHC-OPAMFIHVSA-N 496.561 0.024 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(OC)c3O)C2)C1 1831398339 AERMUEBBGBFXCG-MWTRTKDXSA-N 462.499 0.518 30 20 JCED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)cc1O 1833400702 JIRVUZWHHOTDOJ-QFIPXVFZSA-N 458.902 0.901 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1833466519 HDJIKITXRNWTCC-OXJNMPFZSA-N 466.579 0.439 30 20 JCED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1834571697 AWSZDFSBEMATHW-UHFFFAOYSA-N 472.571 0.664 30 20 JCED CC#C[C@H](CC(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1)c1ccc(O)cc1 1834678760 ZBTHNBUFANZSNK-LJQANCHMSA-N 468.602 0.944 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1834715262 MFVUGALRSLKRIH-CRAIPNDOSA-N 491.662 0.642 30 20 JCED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1834852781 STBVRYWKYCXBAC-HXUWFJFHSA-N 484.431 0.995 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1835095762 CKMTXGAGMDNDCC-BCHFMIIMSA-N 492.532 0.501 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1835677331 NSPVWFFXNZCSGF-QHCPKHFHSA-N 458.563 0.571 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1835682852 WTCZFBAPKHVBBX-BWKNWUBXSA-N 482.585 0.491 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835779157 TTZKBAHZDFQOPL-LFVJCYFKSA-N 493.630 0.696 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836110644 AAPGQAGNCFVDMR-KDGIGMFRSA-N 479.559 0.554 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)ncc1[N+](=O)[O-] 1836552708 XKWVKNIXTXALJR-NRFANRHFSA-N 454.443 0.882 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1836880758 JGSFMLNBLRQUFZ-GOSISDBHSA-N 462.576 0.984 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1837401028 SKJXHPDQRJPAJH-SBUREZEXSA-N 463.531 0.742 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837429991 FVYYLRDVAZVDNM-REWPJTCUSA-N 481.666 0.645 30 20 JCED Cc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1F 1837488477 HMOSUAOGELIIJJ-QHCPKHFHSA-N 462.522 0.636 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837527892 ZMEVECCUGVISBF-RORQMLAVSA-N 472.502 0.328 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1838356860 CPRJNJMNDXBOEQ-QAPCUYQASA-N 456.540 0.850 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)ccn2C)CCO3)c1 1838534833 GTNWLJIQDULUMV-DEOSSOPVSA-N 450.495 0.949 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CC2)CC1 1838538236 SRLSIGJRWPWVRH-UHFFFAOYSA-N 483.481 0.379 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)cc(OC)c3F)CCO2)C1 1838549086 BNLHPKJOVLLCDZ-WAIKUNEKSA-N 464.490 0.951 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC(=O)Nc4cc(C)on4)C3)C2)c1 1838581967 XURGNRLHMAEMBO-XMMPIXPASA-N 497.508 0.962 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733049 LVHQCZZINFOQGV-OYHNWAKOSA-N 461.519 0.870 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c(C#N)c1 1839132475 GWWUHGPDJCREDR-NZQKXSOJSA-N 491.566 0.143 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5ncccn5n4)C3)C2)c(C#N)c1 1839132791 QCUKNQIRFJRONJ-RUZDIDTESA-N 490.520 0.922 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)C3)C2)C1 1839173359 LMMVGYAQHIPYRK-IUKKYPGJSA-N 466.531 0.542 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187285 UAVBIXGKJIYCQK-HJPURHCSSA-N 460.506 0.563 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1839223142 NZZPDYXNYDFMQO-BTYIYWSLSA-N 478.575 0.899 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839234360 IHNIHRMNTLWPME-JTSKRJEESA-N 478.550 0.204 30 20 JCED CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)CC1 1839485922 CNUWTCSJFDRHOT-DEOSSOPVSA-N 466.542 0.846 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486277 RHSSUBCSIZEBCK-JLCFBVMHSA-N 454.487 0.016 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839723075 DCMIHPPHAOLWSE-CYFREDJKSA-N 489.573 0.974 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839867363 JPDAQLMQBGODTJ-QQMNAOGKSA-N 480.562 0.048 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1840176772 VHSZDIUREXBMKS-QHCPKHFHSA-N 480.562 0.098 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840363386 VOUSQEQKOOVBMP-RSXROQDNSA-N 455.515 0.683 30 20 JCED C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840453341 HUSZWHPJODBFNF-KQLUBGJGSA-N 459.547 0.777 30 20 JCED NC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cc1 1840648055 UAXBCZCOHXFNDL-MEXCQQPDSA-N 454.483 0.568 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CS(C)(=O)=O)C3)C2)cc1C#N 1840763060 FLXRYNGOQOUFCP-QFIPXVFZSA-N 479.555 0.460 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1)NC(=O)OC(C)(C)C 1840795323 BEOUOZQCYYYNEK-KSFYIVLOSA-N 499.634 0.929 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840795698 XMSAJSMOPCKGKN-HTAPYJJXSA-N 453.536 0.891 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1840909308 QFHDASZPHXKGQW-QRQCRPRQSA-N 478.502 0.367 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(C(=O)OC)cc3)CCO2)C1 1840957717 QKGIKDQZBVOFBI-HOYKHHGWSA-N 474.510 0.347 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1842919827 FTAMKLVYWKRKHO-UHFFFAOYSA-N 462.514 0.670 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cnn3c2C(=O)N(Cc2cccs2)CC3)C1 1845722284 NKPSKBSBFSQTDH-UHFFFAOYSA-N 467.507 0.506 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cccc(I)c2)c1=O 29464120 GRZZHDXJEPWGIQ-UHFFFAOYSA-N 468.251 0.787 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCCC(=O)OC 501764800 WMVNQVMHLHXYNR-UHFFFAOYSA-N 456.480 0.576 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccc(OC)c2)c1=O 501772109 VPFSYJJNYAHGDU-GOSISDBHSA-N 485.562 0.670 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C1CCN(C)CC1 516827297 IXARZGQIEBCLON-UHFFFAOYSA-N 455.584 0.617 30 20 JCED CCOCCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccnn2C)c1=O 523732857 NKPXVZBJXWCEBV-UHFFFAOYSA-N 452.492 0.794 30 20 JCED COC(=O)[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(OC)cc1 553021883 GWZYXPYPLGGSKA-QFIPXVFZSA-N 486.550 0.904 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc(C)c1OC(F)F 559445213 VCXLMSPIUHXIMU-UHFFFAOYSA-N 476.505 0.739 30 20 JCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 755868731 ZPVJQAYKVQVLFE-LICLKQGHSA-N 468.543 0.976 30 20 JCED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 821739273 GNDNURKXLAQLEN-JTQLQIEISA-N 498.439 0.829 30 20 JCED CC(=O)N1CCN(C(=O)[C@@H](OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 876701404 SCFBVAZEWOSWRV-FQEVSTJZSA-N 478.571 0.764 30 20 JCED C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)Nc1cccc(C#N)c1 912685706 VMXJBWZQVVNAFI-CQSZACIVSA-N 456.480 0.863 30 20 JCED CC(=NNC(=S)NCCN1CCOCC1)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1 915925554 HQSPERNKHNQJKF-IBGZPJMESA-N 497.643 0.835 30 20 JCED COc1cc2c(cc1OC)C(=NNc1ccc(S(=O)(=O)N3CCN(C)CC3)cn1)C(=O)N2 915947787 GDEDKKWWCGJXCW-UHFFFAOYSA-N 460.516 0.803 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)c1 918400891 ORIYERLEKAPXBS-CLCOLTQESA-N 490.586 0.798 30 20 JCED CC(C)C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1287332094 IWTZFICAHFWYPM-SQNIBIBYSA-N 469.612 0.316 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1287787325 MUKZEWLGSGGSME-WAOWUJCRSA-N 499.613 0.410 30 20 JCED CS(=O)(=O)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1302448713 YOIOFSMPRAEQPJ-SFHVURJKSA-N 458.544 0.722 30 20 JCED CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315069559 ZFTUNVSSXDDCGN-UHFFFAOYSA-N 463.612 0.656 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(S(N)(=O)=O)CC3)nnc12 1322424931 FZWAVIYQQHKJSD-UHFFFAOYSA-N 462.557 0.602 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507785722 PWIVRHFINYOABR-QWHCGFSZSA-N 482.426 0.559 30 20 JCED COC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCC(C)CC1 1517939697 YBNXNTVLYWDDNI-BKVYSMKUSA-N 482.607 0.935 30 20 JCED CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1663533945 SNUICAWLVMJHRN-UHFFFAOYSA-N 456.365 0.753 30 20 JCED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1697011647 SJRHAJAFSKRSCU-UHFFFAOYSA-N 458.548 0.314 30 20 JCED CCCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1709838529 PMWPHOJPORFDDM-UHFFFAOYSA-N 451.535 0.634 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1766946491 VVTQXDZLWFPKBK-UHFFFAOYSA-N 481.586 0.820 30 20 JCED COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)cn1 1769876313 SYXJKSWFZANJBH-UHFFFAOYSA-N 450.503 0.898 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060690 HWDUMZWSBGMHSV-KBMIEXCESA-N 493.601 0.791 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)c(C#N)c1 1781173733 CHHWVMZBAMZLTK-JOCHJYFZSA-N 468.470 0.744 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1781310206 FAPKRIPCQPTZIJ-DFIYOIEZSA-N 484.553 0.824 30 20 JCED CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1781471595 YWXDTNBFLHVMDA-ZNUZEINGSA-N 452.625 0.456 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017297 GPXKVOJWGZFTRR-YOSAUDMPSA-N 473.501 0.475 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1782668114 QPGOVNGFWVASDL-IOJRYNMNSA-N 453.499 0.742 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)C1 1784011884 RUNBDUYXRDMXKT-PKTZIBPZSA-N 462.547 0.882 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1784784561 DURNOTJJFGUMPE-FJIDUMEYSA-N 462.551 0.727 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1784785208 IMWUNXLBILLKFW-DYKIIFRCSA-N 466.579 0.158 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1785379092 JALQKFLPMZICGK-DEOSSOPVSA-N 478.509 0.411 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C1)C2 1786706127 OGPUHLNFBAKDDY-DFEOGRTESA-N 457.531 0.906 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@H]2C1 1788470090 WRIOAUKTGOFNQM-WSRJKRBPSA-N 498.577 0.500 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21)N1CCN(C)CC1 1789800808 VCJUHVZJNAIRGH-ANZJIFDASA-N 469.586 0.553 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1789890000 BXRQERCPUVKBBO-OKYOBFRVSA-N 497.589 0.751 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(OCC(F)(F)F)n3)C[C@@H]21 1791074284 OAGKNLKIAJNNFZ-YDHLFZDLSA-N 455.389 0.704 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1)NC(=O)OC(C)(C)C 1792286088 AHRBOPSRDCIMAR-QAETUUGQSA-N 467.567 0.494 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258901 USHOBZPFAVPJPI-PTKBGWIASA-N 481.615 0.651 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795389489 IRRUREBUGCTOMM-KWXDATOUSA-N 476.574 0.551 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC 1797583532 FHPZYIOBRMNAIS-ORDFZIBCSA-N 484.550 0.110 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797808744 PFUMKNWOFJFHIM-HHWFMCFWSA-N 494.570 0.358 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)C=C)C2 1799232632 VDOZCMRYNXAHAV-RFBJODPTSA-N 490.601 0.964 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799751916 INHMMDOFNKBLDB-ZDFLXESQSA-N 450.879 0.479 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800779184 XWNMMPCUGCQQQJ-FVSFCRNKSA-N 461.515 0.311 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCC)NC(C)=O)C2 1802126270 JPRIWZAJWAVHKG-WPVAHCMFSA-N 478.590 0.797 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C 1802159579 HHQXPOJGCDQVSN-IBEHDNSVSA-N 487.623 0.236 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)CNC(=N)N)[C@@H]1c1cccnc1 1807063443 RDYBDCODYDWWHW-AOIWGVFYSA-N 471.562 0.487 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)CN4C(=O)CNC4=O)[C@H]3c3cccnc3)c2c1 1812069137 QINSHFFSVOOBSD-ZHRRBRCNSA-N 486.492 0.701 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827047951 ZDBMRKAVMIKHRX-HPFMTEOYSA-N 467.530 0.509 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)O)C2)C1 1828494585 PLSNCFKGENKEGP-NSUVWMATSA-N 484.553 0.678 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829331134 ZUYNRRZFRZVZFS-BVZFJXPGSA-N 498.536 0.441 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1829356516 WSRLXSJZMQMAQH-RUZDIDTESA-N 480.521 0.940 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1829464822 MPCAOZQFUNITNH-BVAGGSTKSA-N 498.580 0.503 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OCC)C2)C1 1829759528 GLHCQMXZFJXSNR-XBKFQHLESA-N 458.515 0.409 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1830575817 YZBDHYLQJZXSSU-NTKDMRAZSA-N 488.541 0.514 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1830645976 MMSWGCQSSZAHIQ-ZJSXRUAMSA-N 473.574 0.682 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(cnn4C)c3OCC)C2)C1 1831394122 WVRGPIBOBYJPNY-MZNJEOGPSA-N 485.541 0.475 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1831402762 QXLNNMRZOXVZKZ-HTAPYJJXSA-N 453.536 0.396 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)C2)C1 1831403184 YRSHQPHVESSSLV-OPAMFIHVSA-N 498.985 0.852 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)[C@H](C)CC)CCO2 1831522483 BSAZKCFGSOMAQM-LFALDJFMSA-N 481.590 0.766 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831616004 PCIOLSMMEOELIA-MFEFFIJZSA-N 482.578 0.424 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)cc1 1832024422 DDFLYDKFPYTNAC-XMMPIXPASA-N 466.494 0.138 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832109577 PTJVUGGXIBILCP-HTAPYJJXSA-N 477.587 0.671 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1832455880 AMQPCOZNWXCOFX-HXUWFJFHSA-N 475.633 0.034 30 20 JCED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1832466135 BGIDTXYBQWDBEN-GJCAFDHESA-N 483.613 0.971 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)C(=O)N(C)C)CC3)CC2)c(C#N)c1 1834634410 MCCBLAOLWCRWOH-UHFFFAOYSA-N 455.559 0.769 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cccn4c(O)nnc34)CC2)CC1 1835043479 PXDVNNFEXJGJDA-UHFFFAOYSA-N 482.589 0.902 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)CC2=O)c1 1835339471 ONYPPDBVGKXSTB-IQGLISFBSA-N 482.537 0.808 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5c(c4)NC(=O)CS5)C3)C2)CC1 1835346496 DEIWXPDDXBAUPJ-OAQYLSRUSA-N 457.512 0.500 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCN(C)CC1)CCO2 1835399963 FWZDMLGGHDLYMH-QHCPKHFHSA-N 452.596 0.063 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n(C(F)F)n1 1835677990 SXOLQZKNVQMNEX-OAQYLSRUSA-N 468.505 0.939 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2 1836259193 HNSKSFJUBJSYSP-NRFANRHFSA-N 464.544 0.102 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CO3)CCO2 1836992004 DGHGPNPQMIFDOP-XMMPIXPASA-N 487.509 0.597 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2ON=C(c4ccccc4)O2)CCO3)c1 1837297262 QWUBTSUNQXIXDG-XZOQPEGZSA-N 465.466 0.691 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1O 1837440765 XHVTVLWYAKYJGC-SFFGGSCWSA-N 474.558 0.871 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447398 MSULKZULTKXQRP-ZBXNVRSJSA-N 451.568 0.219 30 20 JCED Cn1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1Cl 1837531356 KIBFRRHOQKDFKN-WFIYKGMKSA-N 469.926 0.673 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837563721 XJTZTXAICNWXAC-NYNQOQISSA-N 452.471 0.511 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837881510 ZLPUNHFEQXCHML-UZUQRXQVSA-N 473.530 0.463 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838117218 OJKLIEGQOSXSHZ-JPYJTQIMSA-N 455.515 0.928 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)c1 1838582163 DASKHEMRFSGJNI-QHCPKHFHSA-N 472.498 0.479 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)c1 1838584832 ITKUTYPIZGQODY-CVDCTZTESA-N 456.499 0.258 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])CCO2)C1 1838600822 CVXMIVHRXVNQEP-OYHNWAKOSA-N 477.470 0.417 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)cc1 1838733282 XBGNELOMKYNVJW-OFNKIYASSA-N 454.483 0.699 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)nc1 1838950644 WFLQKJSTRDSUKN-HSZRJFAPSA-N 484.534 0.741 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839047299 IQGMSUZJIFNKKX-HSZRJFAPSA-N 457.531 0.711 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049012 DMVNPKDSBJZPOQ-JTSKRJEESA-N 458.519 0.529 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c(C#N)c1 1839133166 BMFVQFHPFKHKPA-KOSHJBKYSA-N 470.526 0.092 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1839173819 NLCIYSNJRGIYDP-QHCPKHFHSA-N 475.498 0.448 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1839176427 NWVUCSVDPNNECV-UZUQRXQVSA-N 483.562 0.865 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1)c1ccc(O)cc1 1839195509 WVGLZNLVGGQFLU-GBXCKJPGSA-N 460.527 0.355 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839422947 TYZSGHPIAFEURM-BTYIYWSLSA-N 498.989 0.609 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1839810944 YOOZYMSVOFXMFU-RAZUEPIFSA-N 461.559 0.969 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840174574 LXTNZLVSIBDATR-HXOBKFHXSA-N 483.562 0.865 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(O)cc1 1840222615 VIDUSFOYPFCQLY-NTKDMRAZSA-N 454.479 0.434 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840799610 FIENXWKYOITQKG-NLFFAJNJSA-N 473.570 0.836 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)C2)N(C(=O)OC(C)(C)C)C1 1843236158 OFYQFOIPRCRIAA-HNNXBMFYSA-N 484.517 0.195 30 20 JCED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 19188762 RUKOTGAILSHWHW-GFCCVEGCSA-N 459.318 0.813 30 20 JCED N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 26024854 LDNDOOCLPILSGL-UHFFFAOYSA-N 471.514 0.780 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 69643439 UISPRBYQRTWFCT-UHFFFAOYSA-N 481.538 0.910 30 20 JCED C=CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480220167 XCWXTCYKQWEHSS-INIZCTEOSA-N 453.520 0.665 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(=O)N(C)C 604270148 PQPMEHWETDIYSL-UHFFFAOYSA-N 497.404 0.961 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2Br)n(CC(N)=O)c1=O 608910999 BWGHLQXXCHCPCA-UHFFFAOYSA-N 487.339 0.033 30 20 JCED CCc1ccccc1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccn2)c1=O 609405101 JNRZPILGNMEGFN-UHFFFAOYSA-N 489.601 0.808 30 20 JCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cc(C)on2)C1=O 726403663 LVTSRCMLAZKSSO-GALDBLJUSA-N 451.530 0.767 30 20 JCED Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCS(C)(=O)=O 729670906 AKZVIERKPQLYHQ-UHFFFAOYSA-N 462.578 0.444 30 20 JCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c1=O 729672768 HOPOSHNRPKFUOK-UHFFFAOYSA-N 465.572 0.677 30 20 JCED C#CCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 730725918 WWDIQUYPIUKWGM-BXPXOOBPSA-N 458.525 0.586 30 20 JCED Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1 916738061 RELMGQORXSKFKJ-UHFFFAOYSA-N 496.592 0.803 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920416285 UFGBQGVJLZCZAS-ZDUSSCGKSA-N 454.461 0.551 30 20 JCED C=CCN(CC(=O)OCC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 921292700 LSJZMYWZYQUDPS-UHFFFAOYSA-N 456.517 0.916 30 20 JCED Cn1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)n1 1314906903 VXGYGESLHIAKRE-FXAWDEMLSA-N 462.580 0.717 30 20 JCED CCC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1500130678 XAYWFPKMCCPECC-IPMKNSEASA-N 481.623 0.603 30 20 JCED CS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1519580614 UAZTUKHEHRBNKJ-LJQANCHMSA-N 476.559 0.662 30 20 JCED COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1)OC 1555251801 OKWCFFKATODRKK-FQEVSTJZSA-N 453.547 0.879 30 20 JCED N#Cc1ccncc1N1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1669223387 WIAGCXPAGNKBBM-UHFFFAOYSA-N 457.516 0.723 30 20 JCED CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1710299303 XHWFZEJZGUJDOQ-ICSRJNTNSA-N 493.682 0.092 30 20 JCED COc1ccccc1OCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(C)(=O)=O 1712011692 UATFFVSGAYFNFW-QGZVFWFLSA-N 475.575 0.591 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1750998969 YKEDCIMQMZCQRV-LJQANCHMSA-N 485.614 0.898 30 20 JCED Cc1ccc(OCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1751579555 TVCZIFHHOJROQO-RBUKOAKNSA-N 476.559 0.727 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1767856929 QWVSRUTXMUALPO-UHFFFAOYSA-N 487.586 0.727 30 20 JCED CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1768297583 RAMZJZLGNPQQDB-KRWDZBQOSA-N 490.565 0.506 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1768526190 IPNULUAJPUHSDU-UHFFFAOYSA-N 483.558 0.295 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(OC)cc2C#N)C1 1780687236 QALVNVCOGPDICP-TZBSWOFLSA-N 486.569 0.774 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1780738406 ASPGHHUXQYTBKX-HOYKHHGWSA-N 485.541 0.968 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CC(=O)NC2=O)C3)ccc1F 1780754375 OZNQHZPZQJRIJE-WZONZLPQSA-N 471.489 0.306 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1781294405 FIZMXFHURQTOOS-DWKCODDLSA-N 466.579 0.399 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)ccc1F 1781295068 IPCQNOHEXMVMBM-QHCPKHFHSA-N 451.458 0.877 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1782647822 ZZSRSFIGNLMBQV-OAQYLSRUSA-N 455.544 0.362 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1785593912 IJTNAFYWNVCZFG-UJUVCNOISA-N 460.535 0.728 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C3)C2)C1 1785607737 VYMMOZKRLBBISY-KSFYIVLOSA-N 450.536 0.551 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1788658718 MVCKGBRZLIJFDK-FODOPFFASA-N 459.503 0.529 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788706283 WBORGNOGXRBDCP-IWFBPKFRSA-N 483.569 0.273 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327414 ALKXNEBJKLSBPR-ZVZYQTTQSA-N 469.571 0.512 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccncc4=O)[C@H]3C2)c(C#N)c1 1790583797 WYIJHJDFKIRULW-YYWHXJBOSA-N 465.510 0.346 30 20 JCED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCOCCOC)C[C@@H]21 1790831868 HZOITKUROXBLBO-ANULTFPQSA-N 456.580 0.875 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078221 PMXLXVXUGXSWRI-FJIDUMEYSA-N 463.531 0.914 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C1)C2 1791079588 UEBSMTTZDHWBQL-DYKIIFRCSA-N 475.542 0.842 30 20 JCED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1791444604 WCLDMUXATXQQMB-FSGKZVOOSA-N 490.626 0.340 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(I)c(O)c3)[C@H]2C1 1792093780 MPXPIJVZKKSFBO-XEZPLFJOSA-N 498.273 0.678 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1792145188 KOMHELSIWIYUAR-QRFRQXIXSA-N 463.494 0.724 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C)c([N+](=O)[O-])c1)C2 1792489770 QVFZOGVWRMGQNZ-GUGIZKONSA-N 456.499 0.894 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794426371 AMQQWRHZCOHDID-CWPLJXCYSA-N 451.545 0.671 30 20 JCED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2 1795423823 ABPOLCCCQCLBKO-XCRACJGTSA-N 470.526 0.652 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)[C@H](O)C1 1797310311 XJWOABCWNUWRTR-MRGJAMOZSA-N 464.563 0.888 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1797699769 GHDISGHCLQPZSP-WMIGDMCZSA-N 457.531 0.407 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797835821 LAHXTLZHXGQSOW-WSYJELTKSA-N 478.546 0.564 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Cn1cncn1 1797894248 HKDSJSPAXIPRLH-QTMHVTGLSA-N 476.578 0.973 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1798411044 GARLDZNCHYOCQC-FLTUCWPJSA-N 491.595 0.186 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1799331444 RQPZAKPOTKGTRF-QGLBADPUSA-N 465.547 0.298 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799370315 UVDRTQVMHIUSNR-OYNZLANYSA-N 464.563 0.666 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O 1800538075 ZZZKEPKFCIUQMN-SFNKJDCFSA-N 452.552 0.572 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnn1CCOC)C2 1802128148 ZDDZLFCJPXVVBH-DMUMMCEESA-N 489.573 0.649 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1802478914 UULWRRXGCRNPBX-DVQZOSTRSA-N 477.587 0.274 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CSc2nc[nH]n2)[C@H]1c1cccnc1 1802499098 QWJNWLZXGZJIFE-VPCYTDGVSA-N 455.544 0.856 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1803503177 RLNPWPJBPYSSJZ-ISARSNTHSA-N 450.561 0.454 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1807146794 AFVYRYQWKSHSGE-APWZRJJASA-N 464.530 0.572 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]2c2cccnc2)ccc1F 1807192808 CGQJANIPHTXAQI-MONBJTKQSA-N 466.517 0.934 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3n[nH]cc3I)sc2C1 1820524562 RRQRMHGHXIJBQT-SSDOTTSWSA-N 485.263 0.785 30 20 JCED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1822386591 KZKNSORULZWCGL-MRXNPFEDSA-N 480.529 0.653 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1822928274 SQCBLKIAGXYLND-DJJJIMSYSA-N 452.533 0.215 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)NC(=O)OCC)CC1 1828759172 GMXTUSPLLXFZBX-WIIIZXMTSA-N 450.536 0.529 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829132842 GLXROMHYLZANGW-WIOPSUGQSA-N 499.568 0.393 30 20 JCED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)cn1 1829900321 BDUVLDWRPBUFQY-HSZRJFAPSA-N 451.483 0.670 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1831407172 QIGFZXMHNXGYSN-HSZRJFAPSA-N 461.515 0.906 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)C2)C1 1831425379 UBZHTSBKRSRSEZ-DFBJGRDBSA-N 499.568 0.541 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1831485491 VPTNPUMMUHQWJN-NHYWBVRUSA-N 460.446 0.752 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnco3)CCO2)C1 1831942663 DKHYXPWGXULBHG-AOMKIAJQSA-N 462.503 0.661 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccc(N(C)C)c3)CCO2)C1 1832526446 JFKYKUYLUHTHOG-YADARESESA-N 459.543 0.626 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)cc1 1832721419 AGERABSYMJQZCY-RUZDIDTESA-N 477.521 0.382 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc4c(c3)CCNCC4)CC2)CC1 1833469387 SVXBTRPUEIMMGF-LJQANCHMSA-N 467.614 0.993 30 20 JCED CN(C)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1833662935 JNMKPZWHRIFYBU-JKJLQIMHSA-N 458.563 0.689 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c(O)n1 1833699337 YVMHTRIDSMSQCY-QFIPXVFZSA-N 456.503 0.268 30 20 JCED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)CN4CCS(=O)(=O)CC4)CC3)CC2)C1 1833713354 SYRNPMIDOHJSHI-UHFFFAOYSA-N 452.621 0.255 30 20 JCED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)C(=O)O 1834740617 ZZASPDNGBYEFQU-HXUWFJFHSA-N 462.591 0.319 30 20 JCED C=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CN)CC3)CC2)N(C(=O)OC(C)(C)C)C1 1835068197 PEOXVNREUHFXGO-PMACEKPBSA-N 478.638 0.410 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835705334 GKUQWDGMLFLAHG-LADGPHEKSA-N 465.510 0.488 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)c(C(F)(F)F)n1 1836320477 DZJKSQQTWIQXFY-HXUWFJFHSA-N 492.414 0.851 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320779 NYCDXCJLRDCVCQ-ZUOKHONESA-N 483.447 0.554 30 20 JCED Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)cnn2c1 1836947184 PPXLUNTZADBTDS-HSZRJFAPSA-N 469.546 0.390 30 20 JCED O=C(/C=C/c1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837533344 QLCOROVNOMIXJO-FDXJMQGCSA-N 459.503 0.475 30 20 JCED Cc1ncc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)s1 1837533638 YFNYOPGENNOTAO-WWSMJKQFSA-N 466.560 0.979 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838579295 IOGOTJMXYRSYFN-OAQYLSRUSA-N 465.528 0.072 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838741988 KPQKLYPORNCCKK-YZZKKUAISA-N 458.515 0.936 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838953446 XLPKAQIWEBBXTM-DEOSSOPVSA-N 475.542 0.698 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncnc4C)C3)C2)c(C#N)c1 1839132963 VBSKDTGOUVLDCI-DEOSSOPVSA-N 465.510 0.978 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839185024 LDQNNNULSLSTAU-UUOWRZLLSA-N 487.509 0.093 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187566 JUCCYHAHKSEMOQ-XMMPIXPASA-N 468.485 0.709 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421115 WOVNYNVPKLVZNU-IVZQSRNASA-N 461.494 0.475 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)CCC(N)=O)C3)C2)cc(C(F)(F)F)c1 1839443257 VSMNHAVNSAPBJN-UWJYYQICSA-N 497.474 0.240 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)CC#N)C3)C1)CN(C(=O)OC(C)(C)C)C2 1839620896 UPDSROZIGUNZRJ-HSZRJFAPSA-N 488.545 0.654 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N(C)CC)CCO2 1839645001 VJGDUUXGXMTECQ-YDIMBITNSA-N 480.606 0.700 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1839779496 AMENYMONMJMKET-NZQKXSOJSA-N 475.567 0.524 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839882966 HLHAYUQEGXVMIT-FDDCHVKYSA-N 482.578 0.438 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840019258 WLJJLVLTKIOHQX-MXEPURNFSA-N 474.558 0.859 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)O)CCO2)NC(=O)OC(C)(C)C 1840030020 YFQXWGLCAALOBE-HYFFOGBASA-N 455.552 0.683 30 20 JCED Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840388297 QLETZTBOXACAEH-AJPHYDNBSA-N 460.579 0.900 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1840763482 GCCFTNYNBQMFCO-XDHUDOTRSA-N 472.542 0.940 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN)C2)C1)NC(=O)OC(C)(C)C 1840796086 STCNIDYJCCYISM-PNCHPQGNSA-N 468.595 0.897 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1840819469 MLFFRSJPIFDRMB-DEOSSOPVSA-N 476.493 0.750 30 20 JCED C[C@@H](C(=O)N1CCCC12CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2)n1cnnn1 1846647452 YQHSDICUJVDVBP-INIZCTEOSA-N 472.550 0.978 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NS(=O)(=O)CC 1847788565 FZBWAYHWBBCXSG-YVSFHVDLSA-N 470.592 0.433 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 23160058 ZHOCFMWNKFMKMX-XMMPIXPASA-N 493.545 0.785 30 20 JCED CNS(=O)(=O)c1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 410071656 WABZYUVMXNUPKU-AWEZNQCLSA-N 450.542 0.964 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 502040971 HQNNNOJDDAVZTR-UHFFFAOYSA-N 495.561 0.450 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc(F)c3)c2=O)CC1 513039425 AKKLQJUHGKZKTC-UHFFFAOYSA-N 456.543 0.677 30 20 JCED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 515209150 ISBODQOWMIZOCL-UHFFFAOYSA-N 478.307 0.456 30 20 JCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 516094959 CUSGJNYNSJQNGY-UHFFFAOYSA-N 450.455 0.143 30 20 JCED COCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 519051636 NGDRMAKJCFGSJG-ICSRJNTNSA-N 491.614 0.254 30 20 JCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 600810959 DGAQEGKFTQIRPL-KBAYOESNSA-N 458.540 0.955 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828554 BIMSHOODWOSLTO-UHFFFAOYSA-N 488.616 0.695 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CC(=O)N(C)C)c2=O)s1 609416836 QZCGLHFEERRLLJ-UHFFFAOYSA-N 487.651 0.289 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1=O 623689861 BBVBRDBHSUOWKU-UHFFFAOYSA-N 460.921 0.211 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C#N)c(Cl)c1 726576807 BMHROXBXQPLNRN-UHFFFAOYSA-N 468.926 0.423 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 728536179 NFQHRFZEENQNNJ-UHFFFAOYSA-N 494.923 0.921 30 20 JCED C#CCCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)CC1 744366179 FQRDEZBTEIUWLE-UHFFFAOYSA-N 451.545 0.506 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(C)ccc1C 839014055 XLSKHRWJXVCZKB-MRXNPFEDSA-N 451.552 0.904 30 20 JCED N#CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 912685239 AEWIIOVUSAPFPJ-UHFFFAOYSA-N 456.480 0.521 30 20 JCED CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 919506703 GIFCEAINFVSMMZ-OAHLLOKOSA-N 459.503 0.152 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CCO1 1301902818 IPTGRGGPJQLSRT-FQEVSTJZSA-N 472.571 0.983 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1510178316 UINVHHCEAKZFAX-FUHWJXTLSA-N 480.639 0.571 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1541803552 JJHJPVXYUHMCTI-SQNIBIBYSA-N 465.624 0.861 30 20 JCED CC[C@H](C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1545699637 ZRLAPIXMZYKJEJ-XYJFISCASA-N 463.608 0.662 30 20 JCED CC(C)N(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1607904239 OGYXDEFIVTVCFH-APWZRJJASA-N 457.576 0.783 30 20 JCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@](F)(C#N)C1 1625264673 LQQCZIYVOVVPLB-GDBMZVCRSA-N 451.929 0.886 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 1635555200 ZYFUMQBDVQYKJR-UHFFFAOYSA-N 454.452 0.155 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCS(=O)(=O)C2)C1 1692854579 RYSRXSYWFAJEPG-GPMSIDNRSA-N 486.620 0.176 30 20 JCED CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1698316620 ZSMXVGSEWUPBCD-OAHLLOKOSA-N 481.529 0.964 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncccn2)CC1 1705755534 UWAMULNSPVGOEQ-HNNXBMFYSA-N 468.971 0.480 30 20 JCED C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1708266111 YXCPLQMVEACWRB-FQEVSTJZSA-N 496.616 0.660 30 20 JCED CC[S@@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1729246531 SLLABCZMWWXTKL-FZEVHQGJSA-N 480.616 0.888 30 20 JCED CS(=O)(=O)Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1770326852 OEAAMNCCRBPLGH-SFHVURJKSA-N 458.544 0.722 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1770350128 VEZQMSFQKHPRIE-HXUWFJFHSA-N 478.600 0.678 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Nc2cnccn2)C1 1779389626 ZSEUBUVEVSDXNH-VSAUXUJISA-N 456.547 0.649 30 20 JCED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1779399740 DEHJPJVUYFGTGJ-DBXWQHBBSA-N 456.561 0.914 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(N4CCCN(C)CC4)c(F)cc3[N+](=O)[O-])C2)C1 1780197776 MVMLDZYMHSLCQF-HSZRJFAPSA-N 473.505 0.953 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C1)C2 1780335686 DKXXXZLHHMELJK-MZNJEOGPSA-N 480.525 0.966 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCS(=O)(=O)CC2)C3)c1 1781103323 JPVARCJZZHJZMN-NFBKMPQASA-N 492.573 0.555 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1)NC(=O)OC(C)(C)C 1781319905 GQGPSBDKLBNHMF-VGSWGCGISA-N 455.552 0.685 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781339643 GGGVQOWMKJMCLC-ISCKSEBJSA-N 478.546 0.804 30 20 JCED CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1)C(=O)C(=O)O 1781903886 UXCQWJRDJSFILJ-FQEVSTJZSA-N 493.314 0.307 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782015408 LNQSDDFGCSMNQJ-AUSIDOKSSA-N 476.551 0.625 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1783268561 LOKARLRNKBKZMB-FGDDKPPBSA-N 476.574 0.696 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1784043463 UIXMHZARJLHKIG-YTZAWJCFSA-N 476.574 0.908 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(OC)OC)[C@H]2C1 1784291873 CUFCDLRRLGDDRO-QAETUUGQSA-N 453.536 0.502 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785305683 YVCGMUXPEWTYDY-HTAPYJJXSA-N 452.552 0.812 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)cc1C#N 1786844977 YCIDHAHAQYTTML-CUWPLCDZSA-N 468.558 0.779 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1787472265 QKUMOUSCZCYQBJ-KISRJLTBSA-N 495.621 0.978 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676954 AZFALJKPNDQCKN-WIPAFHOISA-N 488.566 0.932 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2C1 1791986798 KDSAITUKEQXGRH-WMJIZHEVSA-N 458.515 0.971 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cc(C)c(O)nc4=O)[C@H]3C2)c(C#N)c1 1792133060 MKPVGQPCPKUIBO-YYWHXJBOSA-N 495.536 0.360 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CC(NC(=O)OC(C)(C)C)(C1)C3)C2 1792489922 ABMAAAPAHJYRSR-KLRLYSEQSA-N 488.585 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccc1)C2 1792491512 ZTWSVSMJHMNVSM-XSXVQVEKSA-N 454.527 0.253 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1793385534 QVYWGBPRJVWHFY-HTPGKPQGSA-N 471.620 0.758 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795527766 AYHMJQSESBWBDF-JTJHWIPRSA-N 471.558 0.542 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)[C@H]1SC(=N)NC1=O 1796422809 DRQKMWLILYDZIW-RSKGHJJQSA-N 476.580 0.879 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799373677 BZZGLEPIWALCAS-RVDAZCDBSA-N 490.601 0.894 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CN3C(=O)CSC3=S)C4)c2c1 1799886173 LHKFXHLDBKYAJW-IVWMJMPLSA-N 484.563 0.498 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 1801866648 ASJZJERYPVOOFQ-YDGKCNFYSA-N 451.479 0.358 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801983348 WJVPMSHETKEQHE-KYHPRHEASA-N 450.536 0.546 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc[n+]([O-])c1)C2 1802124970 LNZXDTZEGFXQKK-RDGPPVDQSA-N 458.515 0.440 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1OC)C2 1802124974 LPDBBQWXLVTTMT-YYIAUSFCSA-N 473.530 0.605 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OC)cn1)C2 1802125117 PECBBTDPFKBUKK-RCJHGTSTSA-N 473.530 0.605 30 20 JCED CN1CCN(CC(=O)N2CC[C@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@@H]2c2cccnc2)CC1 1810358170 PLJPQMDNAQATIM-IBHDSNSFSA-N 472.590 0.864 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1811526502 UDJZQDVWASYTBI-NKUOZVKISA-N 450.451 0.946 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)CC1 1814035872 BGQFMILRRSXARX-WMZHIEFXSA-N 499.568 0.728 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=O)N(C)C)CCN2C(=O)OCc1ccccc1 1828513127 BIMCZZDDICMLSP-QHCPKHFHSA-N 455.515 0.343 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828923173 UCECJJOKKPALGS-JOCHJYFZSA-N 466.502 0.429 30 20 JCED C=CC[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829292562 IHDSUASECCGUOK-WWEVIYMKSA-N 457.575 0.937 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1829766369 VJJMBQQEIYDZDJ-QATSOJGNSA-N 473.486 0.227 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)C(C)(C)C)CCO3)c(C#N)c1 1830631298 VMYHWZOBPOHTFL-URXFXBBRSA-N 459.543 0.973 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1830886935 NSPIDNJXNTVUAX-MHECFPHRSA-N 490.557 0.715 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1831390984 CEWKGVGLCGWAHS-VGSWGCGISA-N 453.536 0.348 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1831396488 MWGGBDDSSJNBHY-HJPURHCSSA-N 457.483 0.126 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(C(F)(F)F)cn1)CCO2 1833006411 DPTONKKEYLRXLV-FQEVSTJZSA-N 469.416 0.577 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 1833769729 PDIPXDRBIPQKAT-WAYWQWQTSA-N 482.585 0.241 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ocnc3C)CCO2)C1 1834371592 ICOVBFLYIBRINN-SBUREZEXSA-N 476.530 0.970 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)[C@H]2C1 1834768872 QMCCLBGOLMAVPQ-NWFVXXGESA-N 478.546 0.238 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1835781736 LZUGEAHXLQVUIT-BRJLIKDPSA-N 471.480 0.949 30 20 JCED COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1F 1836237648 OYAJGSBIRIVJBO-YAGIXUNFSA-N 480.493 0.828 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2)c1ccc(O)cc1 1836353820 MJTUSUVHHMWBLL-MBSDFSHPSA-N 453.499 0.778 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380740 DEUHNJWWSGLRCT-CVDCTZTESA-N 495.598 0.269 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836977420 ILIJLTCKJQHPKP-FVOVQBGFSA-N 475.546 0.818 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)C1=O 1837137777 IOEJGFXOGSDLII-PLPMJULLSA-N 480.477 0.604 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2)C1 1837397230 UDEPEFYUEAXANZ-LLJLJFOGSA-N 499.605 0.556 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1837399628 YFZCHEHIYHVDNV-AOMKIAJQSA-N 469.485 0.887 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)OC)C2)C1 1837402597 IKRWPCYDLPEXRM-FVJVTNMWSA-N 464.559 0.771 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837445236 LLLJVILHDYNPFN-XUHCNCODSA-N 459.503 0.352 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1837446280 GDXSLTIVWVCDAM-RWOVVYLESA-N 454.531 0.876 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837481952 NVSDMQNPPPNIKA-CYFREDJKSA-N 471.558 0.432 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncoc3C)CCO2)C1 1838209743 XOXWIUXWKPOAGL-SBUREZEXSA-N 476.530 0.970 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838508804 CJBAQSXHWYKXDF-VLIAUNLRSA-N 462.532 0.957 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccccc3C(=O)OCCO)CC2)CC1 1838534262 URZJTIVXBFFCFX-UHFFFAOYSA-N 472.494 0.536 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2)C(=O)O 1838595795 BYLQMCVMZQXXFZ-HRAATJIYSA-N 464.906 0.344 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1839130737 QTBJMEDPCRCFMQ-NTKDMRAZSA-N 497.589 0.149 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nccnc4OC)C3)C2)c(C#N)c1 1839131388 FFDRZOFHQQDMDE-XMMPIXPASA-N 481.509 0.678 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1839175218 VRXGWHMVHVIFKQ-FQEVSTJZSA-N 456.446 0.858 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1839176254 DRENFUNVNIZPQC-DEOSSOPVSA-N 489.573 0.298 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c1 1839420862 JUPOOUYYCQVTMC-UZQCKINESA-N 456.474 0.602 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839624897 XHGXZGPPUWUNCJ-JOCHJYFZSA-N 475.477 0.448 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1839784778 VMDCWPCULVUTIE-DENIHFKCSA-N 461.540 0.514 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)C2)C1 1839809602 AWUMCWQGFRNZAN-QHCPKHFHSA-N 483.562 0.024 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1839881940 OPUVAKMYQKQNRH-VUMVONDWSA-N 496.605 0.827 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1840108001 BPPWWDOFVJQXRV-SEPYTNNBSA-N 482.578 0.424 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1840174461 FRYOWQBDIWMVLW-IMRHEYAYSA-N 465.547 0.797 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c1 1840358379 CYRNNPFZPGPLJG-QFIPXVFZSA-N 454.487 0.319 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)cc1C#N 1840763437 DGBDLIFSHSSTRG-DEOSSOPVSA-N 481.509 0.813 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1840819606 VTXBQAOHQOVLGY-XMMPIXPASA-N 482.493 0.416 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=C(/C)C(=O)O)CCO3)C2)c(C#N)c1 1840838454 JAMHFDCNRSCRBE-OUXDILKSSA-N 457.483 0.597 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3C)C2)C1 1840909530 VDQBQSQNIWPESM-YADARESESA-N 487.557 0.772 30 20 JCED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845873350 HUKMPYNIRDEXDT-DLBZAZTESA-N 464.588 0.353 30 20 JCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCS(=O)(=O)C23CN(C(=O)OC(C)(C)C)C3)C1 1846141272 IOXQENIYMSYFIA-CABCVRRESA-N 487.644 0.932 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ncnn1C)C2 1846365608 GXHRDBVHNJTEHQ-HNNXBMFYSA-N 491.549 0.438 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1[C@@H]2C[C@H](O)[C@H](C2)N1C(=O)OC(C)(C)C 1847804999 KZMYYEQFEKTILS-WDCLZLQXSA-N 461.559 0.985 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)C[C@@H](C)O1 477031464 XSDIHOITERJASD-MDZRGWNJSA-N 461.544 0.162 30 20 JCED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 485921409 HBCRQEOWNNQPDC-UHFFFAOYSA-N 484.581 0.162 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C 489158626 SKPWUGZIYVIYKE-UHFFFAOYSA-N 496.383 0.969 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(C)cc3C)c2=O)cn1 523179376 NROVFWKBBRPCNM-UHFFFAOYSA-N 451.552 0.998 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)C1=O 581564365 LSBHHMMKPCAFRQ-INIZCTEOSA-N 460.487 0.170 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828020 CGYBYPMBPJSGNF-INIZCTEOSA-N 476.558 0.961 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1 608913147 YQCYOFYQCPVRDP-UHFFFAOYSA-N 490.607 0.029 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3c(C)nn(C)c3C)c2=O)c1 726582166 VVUXEOYLLAPJQC-UHFFFAOYSA-N 473.558 0.593 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCS(C)(=O)=O 729673228 JLXGBBWDKNYVLW-UHFFFAOYSA-N 463.581 0.382 30 20 JCED CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)N1CCOCC1 918253007 MOKXXUZDTMDYQA-ZBCDYPQOSA-N 479.603 0.911 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1 1300831179 SLBWXZMGSWEAEZ-CYBMUJFWSA-N 471.385 0.914 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(=O)N1CCOCC1 1509683737 KNTUWJPBXYYINR-UHFFFAOYSA-N 484.536 0.612 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccn3CCN3CCOCC3)CC2)cc1 1540647900 NIDLDPNEAZRAAW-UHFFFAOYSA-N 457.556 0.839 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCOC[C@@H]1C 1541942580 GPQOXACXWSXFJS-NBOOPKSLSA-N 451.597 0.737 30 20 JCED COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1554524349 RKWMIMYVYHIVHG-INIZCTEOSA-N 462.532 0.667 30 20 JCED CS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1620164591 OPZQPUOLYAKICC-OAHLLOKOSA-N 452.924 0.635 30 20 JCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1662730245 IVBCZBMZCWFFJP-AEFFLSMTSA-N 451.597 0.568 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCSC1 1723953216 PCUOZVQARWQSMJ-IIBYNOLFSA-N 491.643 0.955 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1727225648 RIVTWWHUBHNUPG-MOPGFXCFSA-N 492.650 0.797 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)CCOC)CC1 1729734440 OUOPZOQQMFZRFU-UHFFFAOYSA-N 456.551 0.768 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1741105701 ZGIYGLJOIPBBMU-MRXNPFEDSA-N 465.436 0.837 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2F)C1 1750211354 JRLQCXPKCHIMDR-DOTOQJQBSA-N 450.496 0.527 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1761466818 QPFSXHGCQFWUHE-PBHICJAKSA-N 466.589 0.831 30 20 JCED Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1C 1761809295 TUXXCODJYHPSJS-GOSISDBHSA-N 453.503 0.735 30 20 JCED COCCN1C[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CC1=O 1769877308 JNJUDBLFSKRXIL-NVXWUHKLSA-N 467.596 0.513 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778259022 USMBJMVPAHCTMY-NTKDMRAZSA-N 479.622 0.533 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN(CCO)CCO)C3)c1 1781151166 UEEMYLBHSJRQBV-ZJSXRUAMSA-N 458.559 0.281 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1 1781204504 BJZKVLBYRMYFJG-DHJUGAMNSA-N 484.513 0.627 30 20 JCED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017425 KCADQKLNBWZDAB-WJONJSRFSA-N 483.587 0.845 30 20 JCED C=C(C(=O)N1CC[C@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1)C(F)(F)F 1783207647 BWEYDXBTHAMIFP-IBGZPJMESA-N 468.469 0.631 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3cccc(Br)c3n1)CCO2 1783566173 QVCGBTGMQKFMMS-LJQANCHMSA-N 461.272 0.628 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567107 GWOLOBHPLKLHEM-ZEEWTXFISA-N 475.542 0.844 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4C(=O)C=CC4=O)C[C@@H]32)cc1 1783604579 XMZLMRMASUAPGF-UFYCRDLUSA-N 450.495 0.396 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1783769280 RAUSDSYSOGWKRH-MCFFVMPBSA-N 450.536 0.422 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1785308392 KEOJLYYNZCTEOX-JKSBSHDWSA-N 452.552 0.810 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785520139 VNTQAAIFCHAWPK-KANFNMMFSA-N 499.568 0.690 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1785578312 WRUOOGAEUKSCRP-JTSKRJEESA-N 460.535 0.415 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1785592758 HZAUFHUGWHZHLB-ROEJJBDBSA-N 499.630 0.966 30 20 JCED CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)CC1 1786726981 SHJQRLKMFIJQNW-FKBYEOEOSA-N 460.619 0.302 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)c(C#N)c1 1786979359 ZDFPEYUVJWSLFW-QSFXBCCZSA-N 491.508 0.134 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787538532 HRICGGWJNJCVPU-VHIDGVEPSA-N 479.537 0.617 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789708655 AXKVFHQILKOGQF-MBGYTDRXSA-N 466.629 0.826 30 20 JCED CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(C#N)c5)C[C@@H]43)CC2)CC1 1789806859 DIEUDGVMSIIIEN-FKBYEOEOSA-N 451.571 0.932 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCN5CCOC5=O)C[C@@H]43)c2c1 1790327035 KMRFZWXNNKNSRS-IEZWGBDMSA-N 466.498 0.870 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]43)c2c1 1790330780 VSCQJGYLZAUVGV-NOLJZWGESA-N 478.431 0.706 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791263778 MZHVSUVWGLURCG-XWSJACJDSA-N 462.609 0.371 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C2 1792485953 YLJWPSYHOTWPOZ-ROAZTASUSA-N 475.567 0.081 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793046262 HENSRHNEXDABLI-YQYRJILISA-N 467.522 0.230 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@@H]1CCc2nc(O)nc(O)c2C1 1794112644 HOJUBOYVEAYGNJ-PZTGFMGMSA-N 484.553 0.281 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795352497 KNMSLOLQVKUGEF-YVSFHVDLSA-N 484.557 0.795 30 20 JCED CCn1c(-n2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3CC3)C4)cc2C)cccc1=O 1795935288 NBNFNYCKFFCFCR-NHKMSHSESA-N 463.538 0.979 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc4n(n3)CCCNC4=O)c2c1 1797323487 KGTBKQQWVLRRMQ-YVWYUNDQSA-N 488.508 0.282 30 20 JCED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)c([N+](=O)[O-])cc1O 1798595208 QQYSSMPKSRHDFN-PVOHHBTHSA-N 475.502 0.984 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)Nc2cccnc2)C3)c(C#N)c1 1799239930 NWUXQOAYEWHDLF-OPMZPASUSA-N 463.494 0.733 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799745361 AEHDEFVJHBTZIE-QXGSTGNESA-N 476.505 0.786 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799979835 GNFDNYGIHFQRAF-IOINJSANSA-N 476.574 0.711 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccc(O)nn2)c(Cl)c1 1800208022 NDNXQXSGRSKQSD-VTEUUUEMSA-N 457.874 0.989 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O)NC(=O)OC(C)(C)C 1800519973 IFIMTBXTJXTRDE-UIVXKWKOSA-N 452.552 0.701 30 20 JCED CC(C)(C)OC(=O)Nc1ncc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)s1 1801283747 NDVFEHIQARMSTB-IVWMJMPLSA-N 478.527 0.710 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1802140750 HLPDKIGNYGZHMM-XSDDWTICSA-N 474.562 0.727 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1803916787 KOUVFPQKQBVOQB-WBIJXOFQSA-N 483.525 0.932 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807120351 QAQAASCYTSYOHX-XXBNENTESA-N 461.526 0.878 30 20 JCED CN(CC(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1)C(=O)C(=O)O 1828927390 SHQOFKYFLYSFSD-DEOSSOPVSA-N 499.524 0.285 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cnc(O)nc3O)C2)C1 1829263163 MFWSXLMEGYIREN-QHCPKHFHSA-N 465.466 0.587 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310351 VKGUNHBYGHQYBF-CPJSRVTESA-N 466.538 0.988 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1830573719 NUCXFQJKMMFTOE-GSHUGGBRSA-N 455.552 0.541 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 1830681807 DCOJIIHYKQIJAY-FQEVSTJZSA-N 465.846 0.335 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1830885305 BDFSJMXUFXFZBK-HXOBKFHXSA-N 480.562 0.412 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)cc(OC)c3F)C2)C1 1831397652 VADSYKZOALWQBQ-MWTRTKDXSA-N 464.490 0.951 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831466013 KKAKGQBTZDWCNH-XMMPIXPASA-N 456.543 0.862 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1831998078 CHCIRKXGWJAZOZ-NXMSCROESA-N 494.589 0.438 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC)CCO2)C1 1834974531 GLHDCNLQWXOLRL-VGOFRKELSA-N 455.552 0.949 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC1CCN(C2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1835118820 QIVBZQQGPURUII-ONEGZZNKSA-N 498.542 0.783 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)N1CCN(C)CC1 1835768020 IKQZEIYXXULOQA-IRHAFTAZSA-N 492.665 0.723 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836042053 LYHBSLRLWSLCSZ-JAXAIRCPSA-N 452.533 0.671 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nnc(Br)n4c3)CCO2)C1 1836256483 OWAKIRGWDCZWOG-KPZWWZAWSA-N 484.376 0.880 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC(C)(C)C)NC(=O)OC(C)(C)C)CCO2 1836520930 YDPQHRQNBCVZFS-HXOBKFHXSA-N 467.563 0.784 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c1 1837117144 XVABBWYVWSMEHO-LJQANCHMSA-N 471.489 0.908 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c1 1837254818 USFVRKNBYBWPJL-IYZQMXKPSA-N 456.474 0.602 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1837395381 YQVRCVYIAUDMOI-JTSKRJEESA-N 451.495 0.872 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742313 CKYYAWLIYPMOFQ-WIOPSUGQSA-N 497.527 0.843 30 20 JCED CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839188050 IXGSONOFRQUZJY-KNQAVFIVSA-N 465.547 0.810 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)ccc(OC)c1OC)CCO2 1839374561 SRGAALFYKKDSRN-IBLIISRWSA-N 491.516 0.771 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)c1=O 1839419437 BCHKBAYBYGSPHP-HSZRJFAPSA-N 454.458 0.780 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)c1 1839420675 WXVMJTKELTVOKL-OFNKIYASSA-N 453.474 0.862 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(O)nc5)C4)C3)c2c1 1839489281 VYMRWFIGAHAXFC-HSZRJFAPSA-N 462.466 0.919 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c(C#N)c1 1839670149 SVWYWUKMLYEFEN-DEOSSOPVSA-N 497.508 0.140 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4c(Br)cc(F)cn4n3)C2)C1 1839810465 YIRNYVMVUVMJND-GOSISDBHSA-N 466.267 0.334 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1)c1ccc(O)cc1 1839860609 CUVQCCKDNLSZIN-HYBUGGRVSA-N 457.527 0.482 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839892560 UDFBYKFLDQITAU-FOIQADDNSA-N 494.511 0.803 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cccc(O)c1)CCO2 1839923417 DUNKMOMRKJZNCV-WVJZEBSHSA-N 455.511 0.720 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1)c1ccc(O)cc1 1840220882 ICKHGMKEKFUWGN-AVRWGWEMSA-N 496.520 0.861 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4[nH]nnc4C)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251454 FLNMUEXGRPIXPH-SBUREZEXSA-N 490.561 0.749 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)n1cnnn1 1840478802 BODJFAFCLQJXKO-VBKZILBWSA-N 459.894 0.529 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1840845273 RPBDUGUJVHIKGJ-DEOSSOPVSA-N 451.479 0.599 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1840908538 CBYRZDIUWDFCAQ-QNFHRHJVSA-N 453.511 0.717 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847443765 WPEKVSCLEPAREX-SQNIBIBYSA-N 458.515 0.507 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NS(=O)(=O)CC 1847789232 NDMCMPLJKJQARH-DBPMHTNYSA-N 484.619 0.985 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)c(O)n1 1848070364 KWJWGMPVOBJCEW-OALUTQOASA-N 462.572 0.452 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480227264 YMEYWHGLOBUODS-SFHVURJKSA-N 499.589 0.906 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc3c(c2)OC(F)(F)O3)c1=O 513043118 XLRFBRMYAYCRCQ-UHFFFAOYSA-N 471.445 0.736 30 20 JCED N#CCCCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 518138332 LTQUGTVIKDQFGR-UHFFFAOYSA-N 465.532 0.029 30 20 JCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3cnn(CC)c3)c2=O)cc1 523182482 NXXWCQSHVMSWFD-UHFFFAOYSA-N 479.562 0.876 30 20 JCED N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 523256664 PZWVTKBLUPNYMZ-UHFFFAOYSA-N 468.498 0.930 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)cn1 523574307 IYPSNUCVMMPHIS-UHFFFAOYSA-N 468.495 0.289 30 20 JCED COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc1C 555736167 QOEMMOHKOGOUOT-UHFFFAOYSA-N 471.535 0.292 30 20 JCED C=CCc1cc(CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc(OC)c1OC 591583540 RWZFRYMMQJXSAP-UHFFFAOYSA-N 458.515 0.935 30 20 JCED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119997 VTJHADIFSFCOIK-CQSZACIVSA-N 461.565 0.153 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1Cc1ccccc1 604434505 ZUEGSGQIOGONMX-UHFFFAOYSA-N 478.486 0.887 30 20 JCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n(CC(N)=O)c1=O 608911423 FIVONVNPSRUWIS-UHFFFAOYSA-N 476.514 0.617 30 20 JCED CN(C)CCNC(=O)c1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 608948238 HXNYGCSETNXIQS-UHFFFAOYSA-N 457.556 0.787 30 20 JCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCc3ccc(OCC#N)cc3)c2)CC1 727947452 LKBUPQKAYMRRAP-UHFFFAOYSA-N 471.539 0.780 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)cc2)CC1 750413484 FIECYAPSSLMWFE-UHFFFAOYSA-N 490.563 0.671 30 20 JCED C[C@@H](OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)NC1(C#N)CCCCC1 916533038 FMMRBVKHDBAXQY-OAHLLOKOSA-N 464.544 0.941 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1=O 917451963 MOZZBUJKXPSBFI-UHFFFAOYSA-N 479.459 0.978 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)cc1 918269427 JLWGADFMGOMBQK-BOLJVCIBSA-N 474.539 0.994 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2cccc(C#N)c2)CC1 919417633 QDBMNAGCBURCKB-UHFFFAOYSA-N 462.484 0.618 30 20 JCED CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1306550296 DQISNHHCMGLFRH-SCTDSRPQSA-N 477.635 0.909 30 20 JCED N#Cc1c(Br)cccc1OCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1472498587 ZRRSJOJRBLGVQI-HUUCEWRRSA-N 458.334 0.002 30 20 JCED CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1617405868 HXEAAYJCHNKPOU-ZZQXMTQJSA-N 459.580 0.562 30 20 JCED CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1618780873 RRUWTTFKKFXNIU-UHFFFAOYSA-N 450.547 0.844 30 20 JCED N#CCc1ccc(OC[C@@H](O)CN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1654210703 UFFOJPBKUGSTLH-INIZCTEOSA-N 450.483 0.943 30 20 JCED C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)N(C)C1CC1 1692726020 IYLKIKCVAAOWEM-ALKREAHSSA-N 455.560 0.536 30 20 JCED CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1696594875 WCHUKIUXXJMGMU-HKUYNNGSSA-N 488.570 0.424 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705755215 OLEHNRCPRZJIQX-DLBZAZTESA-N 475.015 0.665 30 20 JCED COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1=O 1712472026 QGDADQDLPGSAHT-PKOBYXMFSA-N 481.557 0.891 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1=O 1712477535 WNEMBAMOIMVVFV-UHFFFAOYSA-N 465.436 0.790 30 20 JCED CC(C)C(=O)NCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1723086929 PLZAHVQVKOUQED-KRWDZBQOSA-N 475.575 0.696 30 20 JCED CCC(CC)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1743998106 VLOVRQAOMAPYFU-CEXWTWQISA-N 483.639 0.706 30 20 JCED CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1764675204 QKGGXGGBBUUEFC-HNNXBMFYSA-N 492.581 0.704 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)CCO2)C1 1778967324 FJEVXPIIWWPKKI-RHGYRFJNSA-N 479.574 0.968 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779363946 OZOUDSNQNFPOIZ-OZCSNRKKSA-N 487.605 0.443 30 20 JCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)N1CCN(C)CC1 1780638946 SXLAKOOEFXMERI-QSQBDQPWSA-N 479.622 0.665 30 20 JCED CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cc(C#N)c[nH]3)C4)CC2)CC1 1780652123 JDEIBOHIWNKLDX-NFBKMPQASA-N 454.575 0.794 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CO3)CCO2 1781269412 QCIZHXIPRISYBR-QHCPKHFHSA-N 457.483 0.970 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1781400415 LQOIEKBTEHUAPD-YJYMSZOUSA-N 453.521 0.083 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2)NC(=O)OC(C)(C)C 1783094892 OEYAIADRWDQXTK-WJONJSRFSA-N 455.552 0.671 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C)c3C(F)(F)F)C[C@@H]21 1783530810 HOBVTLDAEZVROY-VMPYYGSESA-N 469.464 0.891 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1783675996 AZBQSEQHTIEBOO-VJANTYMQSA-N 493.605 0.803 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)CCO2 1783904738 BERMURQQVOHOMO-HSZRJFAPSA-N 472.567 0.475 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1 1783919893 QDNYBARAVWDJTE-CAIZAGQASA-N 463.918 0.736 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4C(=O)C=CC4=O)[C@H]3C2)cc1 1784804803 NBUOVWPHUHZWOQ-UFYCRDLUSA-N 450.495 0.661 30 20 JCED O=C(CNC(=O)c1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1785169304 RDTYKOQHCIETJQ-ACRUOGEOSA-N 468.554 0.490 30 20 JCED O=C(CCNC(=O)c1ccc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1785248786 AEZIYNTUSSZONW-IHNZEFCJSA-N 455.515 0.826 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCNC5=O)[C@H]3C2)c1 1786261706 RDGPFUIJQFUURP-XERREHJYSA-N 478.509 0.414 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786699479 SRSSSGWINWDSRX-ADHGMGHFSA-N 462.547 0.640 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4cccn4)nc3)[C@H]2C1 1788981231 HEOCMRPJHLLPSJ-GRMGMVGISA-N 464.526 0.719 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1789959379 FHXLRLHSQDOOKY-AJNGGQMLSA-N 456.590 0.627 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790862180 XDXTXUSSTBLQQY-ATIWLJMLSA-N 462.547 0.019 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C[C@@H]21 1791279391 HCFHVABPXYNJJA-JBACZVJFSA-N 477.583 0.877 30 20 JCED Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c1C(F)(F)F 1795598195 KOTGTZTYUFYYNX-BTTYYORXSA-N 456.469 0.924 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccc2c(c1)CNC2=O 1797549625 FISBDCVQKGJFEW-HATOLVCRSA-N 451.523 0.832 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-n3ccnc3)ccn1)C2 1797741295 ZTPAMFFCFYUZBE-PMEUBLMBSA-N 451.531 0.942 30 20 JCED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)no1 1797784303 TUNPCLJFZMXMKU-UPHUGPLXSA-N 458.515 0.001 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1797812620 WVZHTUHPHBXEAT-YTJNBFFPSA-N 472.498 0.750 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2ccncc2)[nH]n1 1798147335 LDPBAGPBIKRECW-XEMDLRDOSA-N 451.531 0.957 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798354508 MZOALZZLSSXNJS-QKPAOTATSA-N 488.545 0.248 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12 1799189404 GYIZHGUQXMCTRL-RWTPIHKPSA-N 454.487 0.870 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C3)c(C#N)c1 1799239908 WVWCKSKIKWIHMQ-JWWGGVBKSA-N 488.541 0.542 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CNC(=O)c3ccco3)C4)c2c1 1799883547 VYFNJBZAYPBLBS-YVWYUNDQSA-N 462.466 0.661 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C[C@@H]2OCC[C@@H]21 1800779056 PBUQKSXZFJUOEZ-ABYCXSSWSA-N 491.541 0.079 30 20 JCED Cc1cc(O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1Br 1800779488 JXMBNCWICVODFV-KSPBDQMDSA-N 451.273 0.754 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801981015 MOBCBQLCTOJGLE-YVSFHVDLSA-N 450.536 0.810 30 20 JCED O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1802079553 JVFKMQNYMRMZMK-FRJNNTLXSA-N 475.498 0.935 30 20 JCED O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1802105220 DJSOSDUHMGPNLU-CCWDJLKJSA-N 465.597 0.135 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1802124997 LXPZKIXYTCQXPN-RCLSDMTESA-N 478.590 0.215 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)noc1N)C2 1802128071 XPCSSHJYCVTXIB-JYYAWHABSA-N 461.519 0.685 30 20 JCED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1806621789 XCPSNDXFIPQNMD-WIOPSUGQSA-N 450.539 0.426 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1808407053 JKJUQYVOAAKXRJ-SXFJPSEXSA-N 489.598 0.371 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1810283995 JVWQMRSGFRMNMT-LGCLUGCYSA-N 466.479 0.284 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1811944481 NOLIDWXORAQKAJ-QPPBQGQZSA-N 465.554 0.868 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1812713843 CGBCWWGCTDNZTM-RDPSFJRHSA-N 481.553 0.568 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812877856 BWNSGPXEYMIXDF-ABSDTBQOSA-N 474.514 0.715 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)[nH]n1 1814437415 ZAWUREOJXZRNBF-JJEJIETFSA-N 478.575 0.686 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCNC4=O)sc2C1 1818910050 FFNPQRISZODGMX-FWWRYZNZSA-N 483.554 0.557 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC3)c1 1821383680 HPZUOBPQGRBIHX-ZDUSSCGKSA-N 468.495 0.801 30 20 JCED C=CC[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 1825118357 HMOINLNRBGWAJF-QWHCGFSZSA-N 485.570 0.715 30 20 JCED C=C1C[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C(O)O)CC3)N(C(=O)OC(C)(C)C)C1 1826287280 VSKIDOYEPKYUGT-YPMHNXCESA-N 452.533 0.931 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)CCc1nc(N)n[nH]1)CCN2C(=O)OCc1ccccc1 1829122287 BZWRHWPZBWQWQE-QHCPKHFHSA-N 480.529 0.685 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(c4ccccn4)CC3)C2)C1 1829769444 SEMHMNVIDJIEQG-PXVHBKPVSA-N 497.596 0.613 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)C1 1829773706 QWIVIOURFYDVLF-MLGNTMETSA-N 496.608 0.966 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1829907355 JQJOOTZNIOVSFN-DENIHFKCSA-N 461.540 0.134 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c(C#N)c1 1829956513 NYRCLDUMVNHLGG-KOSHJBKYSA-N 470.526 0.092 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1831437644 FOVBKPHSNUZZLG-GLDPYIMESA-N 459.543 0.852 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)C(C)C)C2)C1 1831997944 AHDKZBYYISSHAD-BSRJHKFKSA-N 469.579 0.929 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1832000797 XDLDAMURIDOSEG-QVKFZJNVSA-N 464.523 0.344 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1832111475 KJYNJDZRBJIAAV-QFIPXVFZSA-N 467.563 0.781 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1832456881 BJFMOMYDPZPTQE-HSZRJFAPSA-N 478.567 0.825 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1832800151 ABEAKLMRDLKNCR-JOCHJYFZSA-N 484.469 0.442 30 20 JCED CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1835057003 YBLOYACOIVBJBE-FQEVSTJZSA-N 461.607 0.704 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1 1835351347 UMCVOJGVHXUWND-HSZRJFAPSA-N 475.567 0.783 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835352163 PJZLLMUMTLTVHF-JTSKRJEESA-N 466.535 0.382 30 20 JCED CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1835430079 OIEYMCBCIKGNDP-IBGZPJMESA-N 469.420 0.130 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835510120 DUEJGCHHQTWWEH-LJQANCHMSA-N 463.623 0.313 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835673179 YGRSYKUTDSNREY-JOCHJYFZSA-N 460.535 0.227 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677184 AADBFYIIHXTXAG-HTAPYJJXSA-N 459.551 0.015 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1)c1ccccc1 1836146835 CLAZHKUNLQVYCW-NZQKXSOJSA-N 452.515 0.327 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837047646 OLRMJUXONIPHAH-UHFFFAOYSA-N 483.525 0.487 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493466 GQWOTFMAOASCDB-LZCXECNNSA-N 488.581 0.897 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837501879 FRXUALQZMVTIBP-QPPBQGQZSA-N 487.509 0.317 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1837606420 SSAZJNONBNAUPX-FDDCHVKYSA-N 475.546 0.034 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838501540 KJULLHIIYVPBOP-KOSHJBKYSA-N 467.526 0.928 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838578980 XDHBSOVKCYFYNU-OAQYLSRUSA-N 472.527 0.844 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838620486 ARNDTACYWCMVAY-RXVVDRJESA-N 456.543 0.658 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)Nc3ccc(F)cc3)CCO2)C1 1839028785 VREBPPDQPOAOBW-UZUQRXQVSA-N 461.490 0.649 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839130814 VPEODRUCYIIGJK-KOSHJBKYSA-N 494.589 0.405 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccnc(OC)c3)C2)C1 1839173302 JAALBHDHCHSXAU-DEOSSOPVSA-N 475.542 0.989 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839667272 GXUGEPFVLQDRQE-YADARESESA-N 456.543 0.850 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839693803 ZWYIJYIEADOPIY-MHECFPHRSA-N 473.574 0.641 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840026735 UJAYPIQIPWBFMS-IEGUWTFLSA-N 467.563 0.520 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)CCO2 1840076106 SJYAVHAWPVNTMU-RTCJPFEHSA-N 477.558 0.491 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)C(C)C)C2)C1 1840107996 AHDKZBYYISSHAD-STSQHVNTSA-N 469.579 0.929 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1840166932 MCWUYSGXENSAIP-DEOSSOPVSA-N 456.543 0.792 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1840176119 VZPKRFJYKRZPKD-ZHRRBRCNSA-N 451.520 0.945 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840714107 NLUJLDPCHVMTTJ-BTCOZLQPSA-N 457.531 0.831 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1840818977 IGLWTQXOOZBBBU-JOCHJYFZSA-N 473.917 0.944 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840843472 RMMPDADKIDNDQC-VGSWGCGISA-N 453.536 0.132 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OCC)C1 1844155994 FSCYSLYPMFFEGS-HUUCEWRRSA-N 454.524 0.724 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1847510030 FDUQCSHVRQUFHL-XLAORIBOSA-N 494.589 0.990 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O 550106561 HLKQSPUXYRVSQS-UHFFFAOYSA-N 469.386 0.638 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc2c1OCO2 590998721 LWJIFIIEFNODNE-UHFFFAOYSA-N 455.492 0.344 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(C)C 592993215 NIUQVTZJYMZNGW-HNNXBMFYSA-N 484.557 0.940 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1F 729673289 XHWFMWSTOMNMJG-UHFFFAOYSA-N 479.555 0.228 30 20 JCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cc1 784927795 XKUAINPOCHHFNP-OAQYLSRUSA-N 471.495 0.622 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCOC 916664548 GBLIZXSEVHZJDQ-UHFFFAOYSA-N 473.551 0.373 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc4c3OCCCO4)c(=O)n2CCOC)CC1 917768744 KTQHFUXCWOHZIV-UHFFFAOYSA-N 498.605 0.385 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 918383526 JSUCAZUHURGILJ-UHFFFAOYSA-N 464.544 0.407 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)Cc2nc3ncccn3n2)CC1 919150467 ZRKZVVXOJJBKEO-UHFFFAOYSA-N 462.426 0.678 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1288825799 LTYHANMGHUPWBU-IFXJQAMLSA-N 455.560 0.979 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)c(OC)c1 1300076482 GZHBEOXHJABBRZ-OAHLLOKOSA-N 450.521 0.582 30 20 JCED CCc1nn(C)c(CC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1306046008 PBLRGZIMPMIXPH-KBPBESRZSA-N 450.569 0.524 30 20 JCED CC(=O)N1CCC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)C1 1508220878 ZWTREMNAROXRLS-WOJBJXKFSA-N 493.634 1.000 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1541925885 JJBYBZFDOOOZLG-MJGOQNOKSA-N 494.666 0.961 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1618838026 ISUPYQYUZSCGQH-UHFFFAOYSA-N 469.575 0.783 30 20 JCED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CCO1 1621668600 XLFFWRKQWWEHAN-GXTWGEPZSA-N 458.338 0.964 30 20 JCED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1659257901 LTWFNYXJWPEFDV-UHFFFAOYSA-N 450.970 0.753 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCO1 1711368821 PAQPZEULJNFENC-KRWDZBQOSA-N 462.532 0.115 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1761483484 ZCHGOPAMAYGANM-BLLLJJGKSA-N 450.562 0.544 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1764887411 MMFBVEUDGCALHT-UHFFFAOYSA-N 488.618 0.356 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1766944530 IXOPMYHMKSLQFH-UHFFFAOYSA-N 481.604 0.180 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2 1778092037 SENMROIYJHOXLD-ZJSXRUAMSA-N 473.595 0.978 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2 1778096387 GRPNXZURPZXURQ-WUAAAKIRSA-N 479.599 0.288 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ccc(Br)cn34)C2)C1 1778759802 WETAZFSMQXXZBJ-IBGZPJMESA-N 461.272 0.628 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1778959896 QLXYANDZZVJCSH-QQMNAOGKSA-N 479.578 0.441 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1779069701 FWCSHPSDEHVXKL-TYNOOCNWSA-N 478.523 0.812 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138420 UHEMWVDLWWKDTQ-GQBVICOWSA-N 451.520 0.598 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)c(C#N)c1 1781174303 LOTXVTLBQHTBEZ-HSZRJFAPSA-N 465.466 0.741 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)N2CCOCC2)CCO3)ccc1Br 1781904052 YIJAZAUJBZJSPH-CTNGQTDRSA-N 493.358 0.415 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)C[C@@H]21 1783528313 MMOMEFXPSIKAON-DIXNWWEZSA-N 478.590 0.985 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1)C(C)(C)S 1783779215 BFPRJEKTBBZCDJ-XSSDXNQZSA-N 498.646 0.944 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1783846708 CRYOCULWEPLVGH-HTDHLNIYSA-N 454.527 0.449 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090513 VANQUBZBCMLMHI-SBUREZEXSA-N 476.578 0.222 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(C(=O)OC)cc3)C[C@@H]21 1784486772 OLIATNCCLLYNEF-GIUOSPMZSA-N 458.511 0.870 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CC(=O)NC4=O)[C@H]3C2)c1 1785031163 QMYYUGHBQMXGBL-FCLVOEFKSA-N 453.499 0.459 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCS(=O)(=O)CC4)[C@H]3C2)c1Cl 1785033692 GCLFTQRZJVMDSD-WDSOQIARSA-N 495.001 0.535 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1785304973 KEOJLYYNZCTEOX-HYFFOGBASA-N 452.552 0.810 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1785429432 HIGXUCCEIDKXRP-HTAPYJJXSA-N 451.520 0.686 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(=O)(=O)c3ccccc3)[C@H]2C1 1786584409 JLSBYKUXUZMCRY-QIJZPMMNSA-N 462.568 0.868 30 20 JCED Cn1c(=O)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)c2ccccc21 1788139833 UTASOPPTETULMG-XLMMOZAISA-N 499.568 0.849 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1788601461 LHMBFIITXWFZBB-IJDRGOHWSA-N 464.592 0.240 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1788656038 HXTZNNHGEZUOQI-WCOWEIGRSA-N 464.479 0.300 30 20 JCED CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791155524 QWPCIPWSPUANQG-FJIDUMEYSA-N 465.547 0.994 30 20 JCED O=C(CNC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791311508 PGTVMPNOHOGMAO-RKRPFQMLSA-N 464.441 0.174 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1792886622 HUGIGCFDLDKAEY-NZGUISNBSA-N 490.532 0.715 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccncc2=O)C3)c(O)n1 1794490809 OCEVPCKPGRZMEE-VPTLXERWSA-N 453.499 0.366 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083775 RBNXLEXQLZEEEC-ORVPSHMPSA-N 456.543 0.755 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1797585302 QZKWMKSTBUPTKZ-SMUCIOIHSA-N 451.501 0.141 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1797708076 CFAHTJZYEYURHW-ZRAXVTTISA-N 483.569 0.656 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1-n1nccn1)C2 1797744472 RFHQZAVYEVERBX-QNMRCBFUSA-N 451.531 0.942 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)NC(=O)OCC 1798270200 RCJHPVCOVHHMNJ-ULQWZQFMSA-N 466.535 0.606 30 20 JCED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)ccc2F)CC1 1799745979 HFUXXOVLMMWKRL-OPMZPASUSA-N 457.506 0.065 30 20 JCED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C(=O)O 1799784595 BLUIRAKASZGZNT-CXHZTBPHSA-N 468.432 0.843 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1800453985 WJAZDPXEHSUZGM-KYFSNAEOSA-N 473.526 0.756 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)=O 1800511872 AHXQYNLEOYZORW-XAPVIXHLSA-N 472.542 0.583 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O)NC(=O)OC(C)(C)C 1800536620 CJBAHVPVBKRNBT-OMNJKAEPSA-N 466.579 0.960 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1800801483 JNOFMPJIEQQSGP-RCJHGTSTSA-N 489.529 0.546 30 20 JCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCOCCOC 1800849166 PBXQEBWITBEAKY-JHDGKUDLSA-N 454.564 0.466 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1800991851 KWQJWIQCVRCAFG-TWHPPBISSA-N 463.575 0.997 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801946822 RSTIURVKGFHOPB-WFNPHZEWSA-N 463.531 0.748 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Cn2cncn2)[C@H]1c1cccnc1 1802482373 LVIUAKHEVBXBRH-XCDOSVQPSA-N 451.531 0.874 30 20 JCED CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)nc1 1805056073 UJAXANZDKFVKEN-YWZLYKJASA-N 456.480 0.288 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810093529 GPJNRZRIUQPNFN-BLLGBYRHSA-N 477.518 0.681 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@H]1c1cccnc1 1812409213 UKCTZVMENWAAGK-PWPXAWQVSA-N 494.508 0.716 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)sc2C1 1826643895 NEJBWZIKTAEHCU-SUYBPPKGSA-N 458.544 0.564 30 20 JCED C=CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1828585754 ZDZVUMWBHSSBCE-CJAUYULYSA-N 497.552 0.906 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1829766082 KLQCBUIAUFOWPZ-XXGSHBOYSA-N 453.499 0.443 30 20 JCED Cn1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2ccc(C#N)cc2)CCO3)cn1 1829902376 OTRSHAYUHQOHOF-DEOSSOPVSA-N 451.527 0.923 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830346695 OQBRNHSZTCGVBC-HSZRJFAPSA-N 462.499 0.737 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)[C@@H]1SC(=N)NC1=O 1830460666 RNHWQMFHSUFWIA-YFBXQHAESA-N 499.593 0.750 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO3)C1 1830881810 KVBXANDEKVAZCD-FDDCHVKYSA-N 467.563 0.685 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cnc2c1 1831213371 NKALPZRGPRILIG-DEOSSOPVSA-N 450.495 0.486 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1831393936 SHRZKGLPTYAXMJ-NBGIEHNGSA-N 471.554 0.632 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831901977 CWNACFPGYAZLRV-OBKNTDCBSA-N 450.467 0.820 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1Cl 1832026908 SZZJALKUBFKJOB-HSZRJFAPSA-N 486.912 0.597 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2)c1cccs1 1833472130 WLSKEEFTNMAYFI-XYXUZSOXSA-N 473.507 0.656 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CS(=O)(=O)c3ccc(C)cc3)CCO2)C1 1835183815 JNTLXBNHRIMOQK-CVDCTZTESA-N 480.583 0.816 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c2ccccc21 1835342277 WJSMVMBWTMZRFA-HSZRJFAPSA-N 453.499 0.100 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835516382 VUUMEFTWQIRMMI-PLNGDYQASA-N 497.600 0.060 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674679 DQJMKXJRFQKEKC-MHECFPHRSA-N 493.605 0.734 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1835676860 DNZIZMOGFNRCTI-JOCHJYFZSA-N 455.519 0.081 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1835677613 RVSIGVGRZQGZRO-HSZRJFAPSA-N 472.521 0.825 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1cccc(Cl)c1)CCO2 1835723513 FQRUJMDHKRNBJV-LCRIVSMXSA-N 476.961 0.655 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1835753732 GXZMUMLJKUPWRU-LJQANCHMSA-N 450.536 0.603 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169948 HWWNTRRLDARRTM-FQEVSTJZSA-N 488.589 0.957 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)c1ccc(O)cc1 1836214256 MGBGIJULABUDBI-GBXCKJPGSA-N 467.526 0.637 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837441728 BHZKIJVHWCUQRK-DHNIJCFSSA-N 455.519 0.271 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837463092 ZYWVQXMXKUMLHL-HSZRJFAPSA-N 473.599 0.431 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837490463 FUVHGUQCAQGKBK-VWLOTQADSA-N 486.569 0.694 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1837528720 NINYYLYOFXZVOD-YUTYXFNWSA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1837531752 VYZUGLNXGYENJZ-BUUPASLGSA-N 498.540 0.866 30 20 JCED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1837954763 CBBUSQBCZVHCTG-DEOSSOPVSA-N 457.527 0.859 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CC1 1838743014 XQOFCZICGKFPMS-HSZRJFAPSA-N 473.530 0.825 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839079134 ALGWCTZNKNHTTL-YDLHNXBPSA-N 496.605 0.025 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839175202 UNCMRFPLVKCVNC-DHNIJCFSSA-N 450.536 0.424 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1O 1839473705 MXBUKJJZXRWXPG-HSZRJFAPSA-N 467.482 0.934 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485890 AXVGBPVSYDMCCJ-OYHNWAKOSA-N 489.554 0.185 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CN5CCSCC5)C4)C3)c2c1 1839485934 DNJQAQHLLOZCHR-HSZRJFAPSA-N 484.582 0.553 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486282 RKEGTWBRSLVNOQ-FDDCHVKYSA-N 468.514 0.419 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)CC1 1839487523 AGJMWJBCZZBOSL-RUZDIDTESA-N 495.584 0.142 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)n(C)n1 1839487703 SJJZZBNOOUEZIK-QHCPKHFHSA-N 479.497 0.560 30 20 JCED Cc1noc(N)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488099 XAFWPEYRYQRWQA-QFIPXVFZSA-N 465.470 0.697 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1Cl 1839664464 FFSYJSZBZNZSFY-QFIPXVFZSA-N 471.901 0.539 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840018738 RXSADARAKOUPFX-PLOUGOBLSA-N 479.574 0.901 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840036821 VMTZNEPDBJLKCR-ZGZPNVMRSA-N 469.538 0.944 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1)c1ccc(O)cc1 1840219629 VQRJQJNKDJCHLF-VAXXYWNWSA-N 471.510 0.454 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCN(C)CC4)C3)C2)cc1C#N 1840763856 UOYHSEDBTGKWDG-AREMUKBSSA-N 499.612 0.663 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840819012 KDFBACKEOJEOIS-QHCPKHFHSA-N 456.499 0.016 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 1840909394 SFMRDAAPAJQZOI-PLOUGOBLSA-N 479.574 0.927 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3cccs3)CC2)cc1 10451861 BOFKAKYVPXMZRG-UHFFFAOYSA-N 468.582 0.821 30 20 JCED Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 11264349 QBYFGQNRKRTYJL-UHFFFAOYSA-N 487.476 0.351 30 20 JCED COc1cc(OC)cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 16775746 IJAAKTAPLOSASI-UHFFFAOYSA-N 472.523 0.838 30 20 JCED N#Cc1ccc(CNC(=O)CS(=O)(=O)c2nnc(-c3cccs3)n2CCC(N)=O)cc1 488371067 NHHUFSWGOAYNGT-UHFFFAOYSA-N 458.525 0.844 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 509992138 XWNGIJFLFGVDHZ-UHFFFAOYSA-N 451.549 0.694 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCCC(=O)OC 514523038 WMQMHPIZTMJRAX-UHFFFAOYSA-N 458.496 0.800 30 20 JCED Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 518127766 FSHGTCRVHOTLCU-UHFFFAOYSA-N 490.563 0.742 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccccc3F)c2=O)cn1 523181822 HOFJKEHQDVZGHV-AWEZNQCLSA-N 455.515 0.909 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1 603787189 IRXIRPUCSAUVAS-UHFFFAOYSA-N 466.588 0.912 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1-c1ccccc1C#N 604434302 FAYZTPNOYUBQLU-UHFFFAOYSA-N 489.469 0.699 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828667 GCCHGYJIHQGWBG-ZDUSSCGKSA-N 498.511 0.930 30 20 JCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccnc(C)n2)C1=O 726404461 YIHGMSXGYDKFIW-IHIJCHFRSA-N 462.557 0.569 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(-c2ccc(C(N)=O)cc2)c1=O 726575805 NZXVFHSMOTZDKQ-UHFFFAOYSA-N 490.589 0.910 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 727008140 LSEGHSDIXIVFMT-UHFFFAOYSA-N 473.507 0.931 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(=O)N(C)C 728038927 BEMBRRIQCBSJGQ-UHFFFAOYSA-N 450.442 0.221 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 843758111 JRACUWNVKFYGBL-KRWDZBQOSA-N 477.587 0.335 30 20 JCED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 918315122 IMDFPSWHSBBMDJ-JOCHJYFZSA-N 489.532 0.810 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 918592414 OHPJNXUMMGCNKL-UHFFFAOYSA-N 498.521 0.634 30 20 JCED COc1cc(C#N)ccc1OCCCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 919819545 WHJUCROGPUSPNU-QGZVFWFLSA-N 485.584 0.387 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cnccn2)CC1 1359151084 MOPMRLUHKPUPEX-OAHLLOKOSA-N 468.971 0.480 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(OCC(N)=O)c2)CCOC1 1516226199 MEDOFYNENXZNDM-PGRDOPGGSA-N 456.503 0.571 30 20 JCED CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 1661889926 KDDVOSVEDZJFNI-UHFFFAOYSA-N 450.542 0.986 30 20 JCED CCN(CCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)S(C)(=O)=O 1710142323 GLDSTKFZGNPCMN-SJLPKXTDSA-N 451.597 0.630 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1729227792 MNJKHRYTQRMKEH-QGZVFWFLSA-N 488.574 0.224 30 20 JCED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1729713015 JNXNGGWAOIUVHI-QGZVFWFLSA-N 475.575 0.583 30 20 JCED COc1cccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1730241760 NPLHRFBZBNZANA-RTBURBONSA-N 476.559 0.591 30 20 JCED CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1746713897 YLDVOSHZPYADRB-XUVXKRRUSA-N 453.565 0.610 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779136932 NYWZUNJKPZTTAK-OQTBRKRWSA-N 464.519 0.414 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1779238362 SSEKTIILHSUOOR-DEOSSOPVSA-N 486.573 0.256 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780338005 WFCXGWHBSCFKOM-QHCPKHFHSA-N 478.546 0.416 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C[C@@H]21 1783530604 KPGZGPBFGKNZFO-GQTJHPHFSA-N 495.502 0.981 30 20 JCED CC(C)C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)N1C(=O)c2ccccc2C1=O 1783566092 XYDKABSIXSUHHL-KBMIEXCESA-N 481.505 0.615 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1783888290 HMNIEJAGXSFGRV-CMBDLQSPSA-N 457.593 0.753 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1783990518 QHACRLYVHVUYLG-TUFLPTIASA-N 486.569 0.966 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785331101 PNDQRPNCKPEYSI-MRHSLFKSSA-N 488.541 0.482 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1785576894 QITYRUAVRLQMKR-PNLZDCPESA-N 460.535 0.586 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1785577061 KIEQXONPUKSGGW-GAJHUEQPSA-N 487.513 0.535 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3CS(C)(=O)=O)[C@H]2C1 1785679964 GPSMJEVSFCRJCB-JMVFIXPQSA-N 463.556 0.258 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785710941 MBKYUYUXFOGUAC-MRHSLFKSSA-N 466.560 0.879 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)C1 1786707653 NSKRPTDYAAZWIP-ACTFIFLWSA-N 450.536 0.642 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)c(O)n1 1786839018 OLGVFXPAJYWCFN-SNRMKQJTSA-N 456.547 0.339 30 20 JCED COc1ccc(-c2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)n[nH]2)cc1 1787551663 PAQWUNGDIGVVGA-KNBMTAEXSA-N 452.467 0.767 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3[N+](=O)[O-])[C@H]2C1 1789963524 VCQZPDPOAYUYGC-MZGITEKTSA-N 486.525 0.984 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)ccc4F)[C@H]3C2)c(=O)nc1O 1790228321 LAEVFRBSYJGVCK-IEZWGBDMSA-N 469.473 0.562 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C(C)(C)S 1791077618 AOTBHAARCMSZIQ-YRBFXIGRSA-N 483.587 0.656 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2 1792484427 GNFGCLRRORWTFP-MZNTUGIBSA-N 494.589 0.366 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)c(F)c1)C2 1793346782 MCVBIAJIBPONKF-JNNRSPCRSA-N 452.504 0.471 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1793353390 CQHREJWAPPMBKB-XRNRSJMDSA-N 481.590 0.785 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1793360203 HVQLUDTVSKDNTR-QGLBADPUSA-N 467.563 0.539 30 20 JCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1793569824 CYLPPYSQKHWGAQ-WJMWBRGCSA-N 489.594 0.998 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cccnc2)c(C#N)c1 1793958650 KWYAKUIRLTUNIV-IRJINJETSA-N 477.521 0.524 30 20 JCED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1794076680 CWQJGRDDVWJKKR-BQJWPVKWSA-N 466.629 0.724 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1794405113 WQOOCBHKHHPSBW-IXLLBFHCSA-N 494.570 0.358 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795417810 DWOUMTOYQBKPNE-FSNPWBFUSA-N 450.536 0.498 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 1795598394 USSKCVBKOLNFEO-HGKCTWBKSA-N 469.521 0.891 30 20 JCED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)cc1 1795930941 NPUWKCWICKGLSY-CWPLJXCYSA-N 469.523 0.156 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1797713959 DZXPXDJAPGCRCO-JCHKBEJOSA-N 481.590 0.833 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O)c1ccc(O)cc1 1797972406 ZGYUXXRDEXFKEK-QOEYQVKJSA-N 471.554 0.630 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)nn1 1798373477 VYVOAVIBYJXLBM-LORHWOILSA-N 473.530 0.605 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1 1798487141 NIJLKXLHLNYWEX-AIYVTKCESA-N 492.617 0.972 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cncc(S(C)(=O)=O)c2)C3)c1 1798573684 COKBKZQJYMYAHT-RMFSNUHRSA-N 484.534 0.882 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)CC1 1798695882 QYIDKQXQWMPBRS-RMFSNUHRSA-N 486.573 0.642 30 20 JCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOCCOC 1799382630 CUOPBKWSDMNOGM-OPVJXMOQSA-N 478.533 0.874 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1800826039 XUVAASBSVULEEX-TURABVPUSA-N 464.563 0.886 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1800945071 SCAJQFUTEQOLPI-KYHPRHEASA-N 473.592 0.480 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(C)(=O)=O)C3)N(C(=O)OC(C)(C)C)C1 1801104103 YMADRACPMOMMPC-DFGXFYAUSA-N 471.576 0.186 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1802125679 NAIGDTREEMWOEO-CYGHRXIMSA-N 486.525 0.930 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1802139890 YCRQUWVEAQNDEC-CLDHMQMKSA-N 490.517 0.991 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@H](C)NC(=O)c2cnccn2)[C@H]1c1cccnc1 1802482119 KNMUCRMCZRWCOB-DMQMHHFJSA-N 491.552 0.554 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1802483467 RJWJZOQJUHBDIG-YAUCVAOZSA-N 457.531 0.097 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cccc(=O)n2O)[C@@H]1c1cccnc1 1804946634 YTVKLDVDYOVCSM-XKOLFZHYSA-N 451.483 0.659 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@H]2c2cccnc2)ccc1F 1808559673 FKHWQTLMZSUFSK-WDJPJFJCSA-N 481.528 0.991 30 20 JCED Nc1n[nH]c(CCC(=O)N2CC[C@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)n1 1810292251 QVFHPWNCWHHNTE-AMODZNIKSA-N 453.551 0.892 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(=O)nc3cccnn23)[C@H]1c1cccnc1 1811334479 OFFVHPCJANPLGG-YLKSCKIRSA-N 487.520 0.663 30 20 JCED Cn1ncc(Br)c1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812876955 CIUWTNSEEZIJEO-DYVFJYSZSA-N 460.288 0.985 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1812880953 OUNSJDPKADUBGG-DYESRHJHSA-N 451.483 0.476 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)n[nH]1 1822700303 TUWVRVCISCFNOF-GDIGMMSISA-N 455.519 0.911 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCN2C(=O)OCc1ccccc1 1828495374 GGYXZDPUVIWWMH-HYBUGGRVSA-N 454.527 0.986 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829232631 VJWRGAQMVQFQSZ-LJFZDNNRSA-N 488.589 0.525 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829712874 BJFLGAJIPLVOQU-MHRHTVJOSA-N 450.561 0.204 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1829763840 DMNXPKCYZPSWJD-QJKPHDSHSA-N 461.494 0.355 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831424477 KDZPEQWZQSFNEO-YZZKKUAISA-N 485.578 0.574 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831578579 KGAADDCTRKPTDE-JFOHNERASA-N 494.545 0.021 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)c(C#N)c1 1831608341 CVYQXUDTHXNIAM-WAIKUNEKSA-N 458.515 0.077 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(OC)OC)C2)C1 1831999063 PIFIZHZVOJZLFL-AOMKIAJQSA-N 471.551 0.531 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)c(C)c1)CCO2 1832081975 BQLITTBWFMDNKA-UTBBOMKLSA-N 471.554 0.861 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccnc4CS(C)(=O)=O)CCO3)C2)C1 1833563781 XMOLZGYEMDILEH-JOCHJYFZSA-N 463.556 0.662 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C3)C2)c(O)n1 1833699015 RTUJNWVFWJQEBS-XDHUDOTRSA-N 474.558 0.843 30 20 JCED C=CCCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)Cn4cnnn4)CC3)CC2)c(O)n1 1834874766 RQSLUNUOWSJAKH-UHFFFAOYSA-N 468.562 0.778 30 20 JCED CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1835258757 WLXNCJFPSNTEPE-IBGZPJMESA-N 489.472 0.692 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCOC[C@@]2(CN(C(=O)C3(C#N)CC3)CCO2)C1)c1ccccc1F 1835345764 AAZBOAODZGARLQ-VWNXMTODSA-N 472.517 0.937 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 1835452612 UZXSSUBILZWWBE-UHFFFAOYSA-N 462.595 0.682 30 20 JCED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)CC1 1835512659 SDCYWLVNWWQQCU-UHFFFAOYSA-N 489.665 0.004 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1835682882 XRHQHQZJNGRLPE-GBXCKJPGSA-N 455.559 0.761 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1837310115 MIKRYTLAIAMLPQ-QPPBQGQZSA-N 460.619 0.991 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1837396271 FERTYTBVNFHISA-MGPUTAFESA-N 485.379 0.826 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837430003 FXXSYDYPTWOSSY-UGKGYDQZSA-N 483.638 0.558 30 20 JCED CC1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1837526044 RZKMOBWWQZCJKL-GOPWYIOASA-N 466.579 0.704 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837528739 NZNOWXIATKXWTL-VEYNRMQPSA-N 453.536 0.545 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837529752 DWPDQOLRWQTFER-VELLRTDKSA-N 479.486 0.402 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nn1 1837566843 OWWWKXZTELXINT-NYNQOQISSA-N 458.519 0.815 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837918105 DAYWITTWGUIKRH-MFKUBSTISA-N 484.561 0.502 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838036343 MWMNDGNOQGLPEI-FQEVSTJZSA-N 456.446 0.858 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc(Cl)c3OC)CCO2)C1 1838724235 OLDYERAVPICPRU-QVKFZJNVSA-N 451.907 0.852 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4)C3)C2)c(C#N)c1 1839131102 LUKLZUBAANWTLB-XMMPIXPASA-N 456.543 0.662 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186994 CBCZYGGXPMYWDI-QFIPXVFZSA-N 477.562 0.180 30 20 JCED Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489217 SMHOBTSIJLTXKC-QHCPKHFHSA-N 463.498 0.710 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489440 VWECBORHBXJXCW-XMMPIXPASA-N 476.493 0.726 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839693123 LMBDVDUOZHJWOW-LQMXFJIOSA-N 481.553 0.552 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(c4ccc(F)cn4)CC3)CCO2)C1 1839723896 WYXKWYMGOKPWAH-KBMIEXCESA-N 488.560 0.932 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840175714 ZYKTXARTSZPMTQ-LFALDJFMSA-N 479.574 0.901 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840316423 UKWYXUYFXVSLMR-NBCNXNJRSA-N 450.919 0.868 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNCP(=O)(O)O)C3)C2)c1 1840713307 KBQJQTZMHLLKJF-HRAATJIYSA-N 480.458 0.108 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)CCO2 1840756732 GUKBRQXBPAOGLL-FUMRIQNTSA-N 488.497 0.532 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1840844119 DTXOLOJZEOLRJK-JRINMYIISA-N 491.585 0.881 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 1840909387 SFMRDAAPAJQZOI-LFALDJFMSA-N 479.574 0.927 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)C1 1843169502 YOZVQUJIIYQRIW-AWEZNQCLSA-N 455.393 0.854 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1845188832 NHJLYIWCCKKQOE-IAGOWNOFSA-N 465.547 0.927 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1845210547 ZCKRGFHLBGIEOJ-ZCNNSNEGSA-N 456.543 0.784 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2C)c1=O 507078254 JZRDEFWVFURMSP-UHFFFAOYSA-N 458.559 0.719 30 20 JCED Cn1c(=O)c2ccc(C(=O)[C@@H](C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)nc2n(C)c1=O 521013806 ANQJZZWJECUQHY-QGZVFWFLSA-N 486.492 0.540 30 20 JCED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 523251062 GKNWGPBLFVEADC-UHFFFAOYSA-N 490.564 0.908 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3)c2=O)cc1 603786470 CUXMXRTXMFZSTR-UHFFFAOYSA-N 490.585 0.859 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCCO3)c1=O 603987705 QESAIKMNNLQCDZ-UHFFFAOYSA-N 485.562 0.469 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 604168866 KRBHLTVOHCZBST-UHFFFAOYSA-N 454.512 0.681 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c1 604270132 HRWROFUFCDBHDH-UHFFFAOYSA-N 472.567 0.051 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(OC)nc1 608884710 SMRSMECIZGLXNK-UHFFFAOYSA-N 480.502 0.297 30 20 JCED Cc1nc(S(=O)(=O)NCCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cn1C 726769733 FGMYRUJPUTXICJ-HAVVHWLPSA-N 482.588 0.848 30 20 JCED CCc1ccccc1NC(=O)CNC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 749274216 DLUMAEAGDLCLPN-UHFFFAOYSA-N 472.523 0.976 30 20 JCED C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)c1 749504182 HVXYFBALTAZORN-UHFFFAOYSA-N 482.562 0.914 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 916712027 WKVMYDOFQIHLTK-MOHJPFBDSA-N 476.559 0.454 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cnn(C)c2)c1=O 917783154 IJWGJSOYRJJVEG-UHFFFAOYSA-N 480.502 0.711 30 20 JCED C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918261641 XSRUCEZEIPIWAW-CVIUTVQRSA-N 451.549 0.275 30 20 JCED NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)C1 918373826 FMYAFTFMMQRVFZ-INIZCTEOSA-N 455.540 0.743 30 20 JCED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1154387503 WGOMGYBIENCTEM-UHFFFAOYSA-N 458.544 0.820 30 20 JCED CCN(CC)S(=O)(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1225937800 MAQXMTMYYMCSIC-HOTGVXAUSA-N 458.585 0.659 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1315065913 WNUYEFJHZUIHJP-UHFFFAOYSA-N 486.602 0.110 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1516023180 JDSJFSHMCDGOCD-HNNXBMFYSA-N 467.502 0.716 30 20 JCED COC(=O)CN(CCN1CCN(C)CC1)C(=O)COc1ccc(C#N)c(Br)c1 1530438621 XEIUFRIKAVIWJT-UHFFFAOYSA-N 453.337 0.949 30 20 JCED CC(C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1596831800 PUCYLDOVAXHHRP-QRVBRYPASA-N 483.639 0.564 30 20 JCED CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1609890612 JUBAZUXXNZVLRE-KRWDZBQOSA-N 452.519 0.857 30 20 JCED COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1621629388 SYQOFUARLZHHLO-ROUUACIJSA-N 455.558 0.926 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)CNC(=O)C2 1722556167 OQNRJUNDPRZYCB-CQSZACIVSA-N 458.972 0.470 30 20 JCED CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)c1=O 1765345075 JZZHHTIZSXJFSB-SFHVURJKSA-N 475.575 0.581 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1778288566 AOCJTLBYZPZWOM-UZUQRXQVSA-N 463.531 0.942 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(OC)cc1C#N)C2 1779555825 JXXVQUVLZUGHTI-SGIRGMQISA-N 486.569 0.774 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780061850 YKMNWQTXTTUYPE-YVABFXQFSA-N 450.455 0.245 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc4n(n2)CCCNC4=O)C3)c1 1780180991 ZYYJMUAIZAPOGN-AUSIDOKSSA-N 465.514 0.658 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC)c(NC(C)=O)c3)C2)C1 1780208592 AVLQMJQOCCXPSG-IBLIISRWSA-N 470.526 0.956 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C1)C2 1780335685 DKXXXZLHHMELJK-BXKMTCNYSA-N 480.525 0.966 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781168057 BRYRCJNIHMTJQQ-HXOBKFHXSA-N 461.515 0.601 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300596 AIGKGKMDQXMRSN-OFNKIYASSA-N 475.473 0.565 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)C2 1782015506 RNRQFVFEUYCNOC-ASNKJTAVSA-N 468.432 0.745 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783455171 GEOMBNHZVJWFNF-VBKZILBWSA-N 468.576 0.900 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1783843993 CUVYPDGQAPBJKB-HTDHLNIYSA-N 456.543 0.695 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1783865001 PDUDMWXHLDXLRD-ZFUXXKLESA-N 455.577 0.261 30 20 JCED COC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1784263090 CGIDVTUIKYVTOL-VFNWGFHPSA-N 488.607 0.774 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1784492362 CZURMQJUXCLCGA-VJANTYMQSA-N 469.579 0.835 30 20 JCED O=C(CNC(=O)c1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1785168706 FHAJCZCDKPVJEW-OLUJBWPBSA-N 456.547 0.263 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785244325 HTLFBGFGWVFAMS-QHCPKHFHSA-N 490.582 0.701 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785609170 RECJCJSBQLISDV-VBKZILBWSA-N 474.505 0.796 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)N4CCOCC4)[C@H]3C2)cc(C(F)(F)F)c1 1788657482 XHTMWQMYUJMAHW-BCSOYYNPSA-N 496.486 0.821 30 20 JCED Cn1c(=O)c2c(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC5CC5)C[C@@H]43)csc2n(C)c1=O 1789702546 ODKKCKZXVBUSSJ-SZMVWBNQSA-N 484.578 0.234 30 20 JCED COc1cc(OC)c(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1F 1791075938 GMPLPTGUFCZTHZ-HUBLWGQQSA-N 452.410 0.663 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792629431 ARFWUGCQMBLSNN-KXJCHZFLSA-N 484.619 0.788 30 20 JCED CC(C)C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)NC(=O)OC(C)(C)C 1793157518 FYPSXYSLRQOYAJ-DLRJPAPCSA-N 465.547 0.994 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN(C)C(C)=O 1793748790 KYDQMOLJKOGSOG-DMUMMCEESA-N 464.563 0.361 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCS(=O)(=O)CC2)c1Cl 1793838360 YFPMVYGBZBKGFH-CWPLJXCYSA-N 480.974 0.145 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#Cc2ccccc2)n(C)c1=O 1795687795 BDJJQAAKVCCLAF-REPLKXPHSA-N 474.521 0.124 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(=O)OC(C)(C)C 1796394514 PRGFNKOXUOPAMI-ADHGMGHFSA-N 469.579 0.689 30 20 JCED Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/O[C@H]3CCCCO3)cnn2c1 1797811639 DIFWGIMKSJKXMW-NJENAKNBSA-N 456.503 0.770 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)c(Cl)c1 1799752188 JXHGWQHRXKPCJV-DACLVMHWSA-N 451.932 0.992 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1)C(C)(C)S 1799923334 ZIHFZFFTCIDPOV-FHULIHMCSA-N 470.636 0.949 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1800989268 IMXPGHIRTSMMBL-QMHWVQJVSA-N 493.648 0.222 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C2 1800990113 ZLGPSHUEZBEXCX-BIYBGRMPSA-N 467.592 0.753 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOC2=O)C3)N(C(=O)OC(C)(C)C)C1 1801103844 GJGXTPHHCUCAQH-DMUMMCEESA-N 492.573 0.984 30 20 JCED COc1cc(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CCC3)CC2)ncn1 1801979067 AHFXIRDVBVTCNO-RMFSNUHRSA-N 468.558 0.985 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1802113036 UGXJSGHOGVVNRY-FFGOWVMKSA-N 455.559 0.676 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1802126944 DFCZFPBWSDMREM-MDMSPXHWSA-N 483.587 0.070 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2 1802139551 DWFYAKPEHHJSHP-QKAMHHOWSA-N 494.589 0.197 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1803549824 GEYSAYXVRPIBNX-MJKGWSOKSA-N 460.531 0.969 30 20 JCED C=C(C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1)C(F)(F)F 1807950069 SKMWZOAZPSAJAX-IUODEOHRSA-N 462.392 0.646 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@H]2c2cccnc2)c(C#N)c1 1808173573 SJONKQYLHISGDX-KSNOWIBYSA-N 493.564 0.861 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1808465256 YHHZUTPNMDONMP-JTSKRJEESA-N 454.483 0.522 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812387606 QDZUSMVEUGNOLI-SIKLNZKXSA-N 463.494 0.745 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)CS(C)(=O)=O)n[nH]1 1815225117 NJTGBVWHXHCLKJ-AYPLEAKFSA-N 451.549 0.941 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828989510 XMUGICGMMLEHPE-CPJSRVTESA-N 499.616 0.006 30 20 JCED NCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCN2C(=O)OCc2ccccc2)C1 1829133691 OFLYWPGSBLTERO-DHVYKCEKSA-N 487.557 0.926 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccnn1)CCN2C(=O)OCc1ccccc1 1829146900 KLTQUODJIZDXPE-XMMPIXPASA-N 477.477 0.630 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(=O)N(C)C)C2)C1 1829343157 SNAFZOZJVQDZEC-KSFYIVLOSA-N 462.572 0.845 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C3)C2)C1 1829670532 APZUCTIAYKBMIL-WZONZLPQSA-N 467.563 0.685 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1830906723 DUNAWIRGLMOCRV-UKKYDJSUSA-N 475.502 0.939 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(NC(=O)OCc4ccccc4)CC3)C2)C1 1831392957 RRPCEKMNVHVXCI-NBGIEHNGSA-N 499.564 0.940 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-c4ccc(O)nn4)cc3)C2)C1 1831399580 XRLYYXOTXYBNSI-AVRWGWEMSA-N 480.521 0.958 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831427173 PWQLOJUCNZSBHW-YADARESESA-N 474.558 0.579 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831673634 TWLQDPMREBZUEZ-QZTJIDSGSA-N 465.547 0.970 30 20 JCED COc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832999958 CVSMFLNNBLJYAH-XMMPIXPASA-N 473.574 0.761 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnnn2C)CCO3)c(C#N)c1 1833234470 AAHXNHPBEHRLGE-QFIPXVFZSA-N 454.487 0.008 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833427049 AHZDJNBENVQLDI-FQEVSTJZSA-N 462.591 0.857 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1833476116 YECWQEMFTHGFTO-IIDMSEBBSA-N 465.620 0.952 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)c(C#N)c1 1833497288 LAUVMOCDYLVKAW-XMMPIXPASA-N 495.492 0.368 30 20 JCED O=C(CCN1CCOCC1)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834637161 DQHYAEFMRVPFKW-UHFFFAOYSA-N 474.646 0.979 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834716388 WPOGJTADEICANO-OAQYLSRUSA-N 493.605 0.335 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)CC2=O)c1 1835339469 ONYPPDBVGKXSTB-BVZFJXPGSA-N 482.537 0.808 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cnc2s1 1835341897 LILCNOSZZYVANG-NRFANRHFSA-N 457.512 0.438 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1835359871 MJVCBENILYRRRA-HSZRJFAPSA-N 450.499 0.944 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCSC(=N)N)CCO3)cc1 1835643406 BIEQECLIELSQLB-JOCHJYFZSA-N 459.572 0.964 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nc(Br)nn3c1)CCO2 1836256161 CRSXWSOXWVTOGW-NRFANRHFSA-N 488.342 0.975 30 20 JCED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)ccc1F 1837046557 LTQLHZDOPVQQTA-UHFFFAOYSA-N 485.516 0.790 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837050373 WGWSTCCEFPXFOE-MYRHLRDYSA-N 477.543 0.995 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837331390 RVWBXRJMIJBVKU-OAQYLSRUSA-N 458.544 0.921 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1837403469 UFDRIDYTFVKFHT-LGZXMISNSA-N 483.565 0.926 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1837440458 KBBNQYKWGYFECE-ZTNDBTQUSA-N 472.542 0.755 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837524658 LCDHIARKCVTBMJ-ZSRFSCCOSA-N 481.481 0.381 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524740 LKJODCVXOBBGQV-YIVIECCWSA-N 463.491 0.084 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1ccccc1=O 1837684288 PGEIFUNFQNZAFF-WZONZLPQSA-N 459.547 0.148 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccccc4C(=O)OCCO)CCO3)C2)C1 1838567652 IJJFROZNUSUCKS-DEOSSOPVSA-N 458.511 0.872 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5ncnn5c4)C3)C2)c1 1838582136 CMVABRLEEJRAJJ-DEOSSOPVSA-N 476.493 0.993 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838791528 DCGGOCNEKVIXOG-JPYJTQIMSA-N 453.499 0.376 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838827794 IFNYGQFFOFLBOL-QFIPXVFZSA-N 469.454 0.944 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044619 OPRZVKHLVYRWSZ-HXUWFJFHSA-N 484.525 0.559 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C3CCOCC3)C2)C1 1839809681 HHNZSUSECKJEEP-CYFREDJKSA-N 479.574 0.786 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840055241 MAFAUTDZPIQEDN-VFCRVFHLSA-N 489.591 0.218 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1840088313 YEVHPCRMJXLKIF-DRSNIGMVSA-N 455.552 0.947 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC1 1840817716 QSNFIOWPCNPYCU-HSZRJFAPSA-N 473.530 0.825 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1840909289 PNNUMPYOCNNWTR-GAJHUEQPSA-N 493.557 0.313 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)c2ccc(C#N)cc2Cl)C3)n(C)c1=O 1841985003 KZMGTUUWARQENF-UHFFFAOYSA-N 495.927 0.476 30 20 JCED O=C(/C=C/C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2)c1cccs1 1843417609 RWYBUANPDNGOET-SNAWJCMRSA-N 451.570 0.421 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843809527 TWXMGBWZPQFHOP-UHFFFAOYSA-N 464.482 0.897 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C(N)=O 26763381 XKWNMGSHOKTVFV-UHFFFAOYSA-N 464.525 0.361 30 20 JCED CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 489152659 CFAOSSGNLHCCIE-UHFFFAOYSA-N 455.536 0.858 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 522538986 YHVUKOJTSTXUAE-UHFFFAOYSA-N 481.515 0.749 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCNS(C)(=O)=O 589160242 IMGPIVYNJMTRML-AWEZNQCLSA-N 477.608 0.894 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCNS(C)(=O)=O 589160774 NZUSXWBDYWJKSB-CYBMUJFWSA-N 451.545 0.716 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCCC(=O)OC 592993987 RTFSVZFUVYOPOK-UHFFFAOYSA-N 496.524 0.388 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccncc3)c2=O)cc1 603794769 UNIDNBVBFSVYRU-UHFFFAOYSA-N 450.520 0.958 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(OC)nc1 608884081 SAVRJEGTZMNZDN-UHFFFAOYSA-N 450.476 0.338 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCc2cccs2)c1=O 609037133 HUDLIPRWEWEOHY-UHFFFAOYSA-N 455.565 0.309 30 20 JCED COc1cc([C@H](C#N)NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc(OC)c1OC 750574962 IUKZNVMZRYRPBZ-ZFWWWQNUSA-N 464.500 0.559 30 20 JCED Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)n([C@H]2CCS(=O)(=O)C2)n1 750821845 TZCHEYASKUJKQJ-HRAATJIYSA-N 470.511 0.829 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c(C)n1C1CC1 839375465 GXWIDRMYPJIITD-UHFFFAOYSA-N 481.622 0.949 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCN(c2cnccn2)CC1 857749859 DSNCCMTWYLFUGD-RUZDIDTESA-N 490.520 0.834 30 20 JCED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 918896676 PZPMKACBBWIYID-MRXNPFEDSA-N 464.544 0.704 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1299263497 XRHIIHUMTGZLQS-UHFFFAOYSA-N 481.557 0.940 30 20 JCED COCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1301480354 NPPIPGVSSBEBJC-HOTGVXAUSA-N 454.553 0.156 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1517437766 KDUFDJWLTVYVCX-INIZCTEOSA-N 451.535 0.595 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1 1541116117 JVXKFXUJOUHFLL-LSDHHAIUSA-N 476.650 0.155 30 20 JCED COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1619783043 PDQFZQWPGAPPHX-DOTOQJQBSA-N 451.597 0.882 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1692786583 VPCRSIBNTDQDFY-LIRRHRJNSA-N 484.579 0.923 30 20 JCED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1706648257 JTBRKZJXNSSZLH-UHFFFAOYSA-N 494.600 0.998 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CCN1S(C)(=O)=O 1712846243 VESIDMOEXUEQAD-RDJZCZTQSA-N 478.600 0.722 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1722796701 WUPNBJABCYOGSK-IBGZPJMESA-N 487.586 0.241 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1-n1cccn1 1723953228 CIGKSSIPNNYKQN-DOTOQJQBSA-N 456.532 0.851 30 20 JCED COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1729779824 YLKCPCVOXHOTRL-MRXNPFEDSA-N 462.532 0.619 30 20 JCED C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1741876952 IKKTZKNBLKVLRW-GOSISDBHSA-N 473.603 0.867 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCCO[C@H](C)C1 1743335266 KQWVPTUBQGFVHC-WSTZPKSXSA-N 494.666 0.566 30 20 JCED COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCC1 1769323002 ANNIAYUUIPUIJN-RDJZCZTQSA-N 451.597 0.882 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779093022 XHWRKYVODHSUIG-RBBKRZOGSA-N 451.640 0.518 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1779334848 BTIVSEVJMNPLNG-IFSBAMAHSA-N 466.604 0.876 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1780654396 YIQKYFXNJIBWBB-PPYVPILRSA-N 493.601 0.766 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780921947 DIQDNUSVHAEIFI-QHCPKHFHSA-N 472.567 0.475 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)[C@H]1CCCS1(=O)=O 1781654473 ILGUHOQNVRKOPO-WOIUINJBSA-N 466.600 0.776 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2)c1ccc(O)cc1 1784018574 UFVFOTZWWDPHNH-NIYFSFCBSA-N 491.548 0.973 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1784601462 QZYRDLCFXABZES-JLHGSKIFSA-N 475.550 0.630 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)[C@H]2C1 1784789157 MEKJQYSJYJGGHV-CXQPBAHBSA-N 479.574 0.640 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCc5nc(O)nc(O)c5C4)[C@H]3C2)c1 1785330685 ITSWTDOFWSUVSE-PWDMQXDWSA-N 466.498 0.486 30 20 JCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)[C@H]3C2)CCC1 1785332871 XDHYVLYYVCIWKL-OAOQPFQOSA-N 455.515 0.666 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4cc(C)c(O)nc4=O)C3)C2)c(O)n1 1785351749 YPXNIDVMOBLELT-DEOSSOPVSA-N 483.525 0.620 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1785379720 BRPAMUBEJDYWIL-JOCHJYFZSA-N 451.439 0.569 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)CCO2 1785429554 JFLHJGOJLHLYTD-WDNCENIBSA-N 488.585 0.603 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1785574759 REDYIRZCBWBADO-JLTOFOAXSA-N 453.565 0.360 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1785877580 SITQXZYSKNKCOS-NXOAAHMSSA-N 460.535 0.325 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnn3)[C@H]2C1 1787122268 DRMDGFFLQVBTMX-MUGJNUQGSA-N 488.589 0.955 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C[C@@H]21 1788576171 LBYBRQLBGVCOKL-MVBLQPKNSA-N 461.563 0.010 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]31)C2 1790686012 BZIJQHVQADVMAL-DWRORGKVSA-N 469.542 0.906 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)[C@@H](O)C1 1793258638 SZJJAEVLUBNULW-JFQQFOBUSA-N 475.586 0.997 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)C2 1793340625 MNNDBZQDNHSJLA-LMGVVVSRSA-N 475.929 0.693 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 1797246737 CMDDUEICXGUYNS-LCNLMQJVSA-N 455.555 0.515 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc4nncn4c3)c2c1 1797465062 ATPDBYNNVCTTPC-CWPLJXCYSA-N 456.466 0.994 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1797783729 CYABWURVDMUOJQ-RUMRUAAYSA-N 466.582 0.672 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797810906 BHNHRQKBNYWJEP-PRKDZGHQSA-N 451.549 0.132 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1797836907 JCNZNZKRGCSDBQ-GSQAZRCSSA-N 469.498 0.294 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)ccc1Br 1799707449 CEQDYECJZDPBLN-JLVBRIDZSA-N 477.315 0.976 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCNC(=O)c3ccc[nH]3)C4)c2c1 1799883604 PYCBOPKWQHCJBZ-VPTLXERWSA-N 475.509 0.786 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1I)C2 1800779492 LHIZHZNQJZLDLG-YQYWCBKUSA-N 486.237 0.722 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2)c1ccc(O)cc1 1801056350 XHYIQBIPSXVJCQ-PRHHBONVSA-N 450.495 0.876 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)C1 1802235559 FLBBJPAZRZRVRL-DTZXSQNASA-N 493.605 0.684 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)[C@@H]1c1cccnc1 1802477602 QKEAQPLAOLFUDM-HGHFLKBRSA-N 464.526 0.960 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCN(C(C)=O)CC1)C2 1804372240 MEUWXDRNQHIYBY-PLACYPQZSA-N 489.617 0.705 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1805661748 GCXARACFIFSZTN-UHFFFAOYSA-N 495.573 0.864 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1810093528 GPJNRZRIUQPNFN-ACOBHSEBSA-N 477.518 0.681 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1810559815 OOHNJIBQEFZMJJ-HSALFYBXSA-N 458.563 0.520 30 20 JCED O=C(CN1C(=O)CNC1=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1815597819 WKPYOVQHTOSJEB-QXMCPMIJSA-N 461.479 0.483 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@H]2NC(=O)NC2=O)CC3)ccc1F 1822960869 KYWLTHDXXVMDKK-SWLSCSKDSA-N 470.486 0.907 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCN2C(=O)OCc1ccccc1 1828584812 NTULKCPWANKMHT-DEOSSOPVSA-N 454.527 0.986 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1)n1cnnn1 1829396453 JLEYJQFMOJCVQE-HTAPYJJXSA-N 466.502 0.600 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829472070 RSDDUOKSQUXVQL-UUOWRZLLSA-N 487.557 0.698 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)cc1 1829632392 TXDKJDUKYOFWHX-JOCHJYFZSA-N 468.470 0.892 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1830465793 RRJANJBAKAGWEU-DEOSSOPVSA-N 485.924 0.463 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccc3C(=O)OC)C2)C1 1831387736 JXGRKURAOZPRMR-UQBPGWFLSA-N 472.538 0.901 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C)C2)C1 1831391435 BCFZGPWEHHSGMO-PBQROFAYSA-N 493.601 0.984 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831434191 SLPXNBDQLHQWAI-PUZWTLIVSA-N 497.589 0.406 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1831438043 KMBRTLOTKNZMFD-AJSYOGKFSA-N 462.499 0.864 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1831723391 MFSVDGWFRUPVCG-GWJPWWOOSA-N 480.562 0.771 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831997945 IQCISMYQLRBKHV-ZHRRBRCNSA-N 478.550 0.355 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1832000175 JCAAQBXLVKSHBO-CYFREDJKSA-N 490.557 0.859 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1832000393 NSIOAVVOPLJFAA-SBUREZEXSA-N 491.545 0.722 30 20 JCED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1832298829 RZCRTJFPAJZVDX-HSZRJFAPSA-N 458.515 0.262 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C=C[C@H](NC(=O)OC(C)(C)C)C3)CCO2)C1 1832544271 CYGHIVCGUNHCLI-MVOHMCPASA-N 491.585 0.951 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cc1ccccn1)NC(=O)OC(C)(C)C)CCO2 1833105713 MQPSZUQSAXZLGN-CYFREDJKSA-N 472.542 0.607 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833570301 OINUWPFVAGPBTL-IERDGZPVSA-N 452.483 0.426 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c(O)n1 1833699631 GMFWLZRKDBLTOM-XMMPIXPASA-N 483.525 0.233 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c(O)n1 1833700139 PHPJVYNARLVPTK-QHCPKHFHSA-N 485.545 0.309 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834241163 FISFLJAGGUWJEG-UZUQRXQVSA-N 477.562 0.960 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CN4CCNC4=N)CC3)CC2)c1 1834705779 HKNFNQDUCNMNRE-UHFFFAOYSA-N 451.575 0.892 30 20 JCED Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)n(-c2cccc(=O)n2C)n1 1834913628 BHLIHVVOPGWCLT-UHFFFAOYSA-N 494.552 0.153 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)c1ccc(F)cc1 1835345723 WXYFJXTZJZECFI-AUSIDOKSSA-N 458.490 0.763 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCCC2=O)CCO3)cc1 1835407282 OJOQPKATYIXMPW-XMMPIXPASA-N 454.527 0.570 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682393 FZIWZBAGGCRQGD-IIBYNOLFSA-N 454.524 0.286 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCCCC1 1836771833 WMAAAWGUAQVIQJ-QHCPKHFHSA-N 493.557 0.758 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836976866 FVRICOJIMJMHNQ-QHCPKHFHSA-N 458.563 0.571 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1837393345 PLQQUPITNMMLIJ-PXAZEXFGSA-N 470.416 0.371 30 20 JCED NC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccccc1 1837489782 UYRQQOBOSUJFQZ-GJZUVCINSA-N 469.582 0.884 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837491516 OWRRTACUVSLDPC-DEOSSOPVSA-N 467.526 0.727 30 20 JCED C[C@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529640 XCBMKPOOGHVWHM-KHRJXYDASA-N 481.575 0.929 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1837531466 NHSDEPFPXDLUIK-YAGIXUNFSA-N 498.483 0.842 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837677690 BENZSAYNNOMSQT-FYSMJZIKSA-N 482.541 0.809 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837968881 QSWFJATWOGPVNS-IBGZPJMESA-N 489.577 0.588 30 20 JCED COc1nc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1838175417 VWBDQMTYEQEFMP-XTXAWSSWSA-N 476.530 0.998 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)cco4)C3)C2)c1 1838580498 GUJLFPSOKBYDQY-QHCPKHFHSA-N 453.451 0.904 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)ccc1O 1838973913 JTMWIYQAZPHNQO-VHZQKOCRSA-N 477.514 1.000 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)ccc1O 1838974152 WRQNDZHLQWKPCV-NHMXVPMISA-N 460.531 0.943 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)c(C#N)c1 1839133242 GVCYCJLLTQWKSC-QFIPXVFZSA-N 486.554 0.476 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)CCO2)C1 1839136200 MMPUYRUREKHEIH-GAJHUEQPSA-N 475.498 0.641 30 20 JCED C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1839163790 GGNRKONQDADVIY-XOBRGWDASA-N 468.432 0.782 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1839173692 GFTBVQPOVGOUSD-RUZDIDTESA-N 498.536 0.513 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487604 CGLFLUWGDSCBAQ-DEOSSOPVSA-N 479.541 0.786 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnn6ccncc56)C4)C3)c2c1 1839488496 VWVLDGYVKRNBDX-DEOSSOPVSA-N 486.492 0.861 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840018977 XGZYPVAQXYBAIW-YRUKQIKQSA-N 491.541 0.178 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)N(C)C)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251416 CBAGYOAHYYCYCB-SBUREZEXSA-N 480.562 0.097 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840463487 LRSXSKCLDUMJFW-DVECYGJZSA-N 491.589 0.888 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609984 LSMKGZPWSIGGFN-FJPNIYADSA-N 477.558 0.252 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1840912937 SYBFXDSIVXYUNA-ZGNKEGEESA-N 475.546 0.949 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1840958919 JCDKZKOQNVFRHH-IECBHUPTSA-N 495.573 0.117 30 20 JCED CC(C)(C)OC(=O)N1CCc2ncc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)n2CC1 1843989246 VJUDPLIAKSEKTG-UHFFFAOYSA-N 471.514 0.581 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCN(C2CCN(C(C)=O)CC2)CC1 1847262571 VUDPOTLMYKBZKE-PBBLHXJHSA-N 485.629 0.770 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 26902027 RRGUYIITERXVQT-UHFFFAOYSA-N 469.571 0.393 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1=O 60211501 NRGOOEMEZYSYOV-UHFFFAOYSA-N 459.934 0.542 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCCO2 497551874 RHALUIFWOWUCKP-UHFFFAOYSA-N 452.517 0.932 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C1CCN(C)CC1 517984289 ZZOUOFIOEDIRKZ-UHFFFAOYSA-N 458.559 0.971 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C1CCN(C)CC1 517990546 AMZSVDSPPRWRAE-MRXNPFEDSA-N 470.595 0.839 30 20 JCED CN(CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 603441048 SBVWRAMFQJMLSD-IAGOWNOFSA-N 455.558 0.373 30 20 JCED CCn1cc(-n2c(=C(C#N)c3nnc4n3CCCCC4)sc(=Cc3cnn(C)c3)c2=O)cn1 726180235 CUSSEIXWWKFGGE-UHFFFAOYSA-N 461.555 0.718 30 20 JCED N#Cc1c(CCCNC(=O)NCCS(=O)(=O)N2CCOCC2)nn(-c2ccccc2)c1N 748107887 NYEGORWBEABDGL-UHFFFAOYSA-N 461.548 0.220 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c1=O 838254844 GPZIDNBIHNNKDY-HNNXBMFYSA-N 485.562 0.250 30 20 JCED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 916893223 XYNGJMPDDAGAAE-INIZCTEOSA-N 451.501 0.345 30 20 JCED Cc1c(NC(=O)[C@H](C#N)C(=O)Cn2nnc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C 916961350 OZUDEEQMENQQKF-QGZVFWFLSA-N 457.450 0.937 30 20 JCED Cc1c(NC(=O)[C@H](C#N)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(=O)n(-c2ccccc2)n1C 916961437 QMZKYKOMTQHYPO-MWTRTKDXSA-N 464.482 0.852 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)ccc1F 918002274 YEYKUYQJDGHNSP-UHFFFAOYSA-N 459.507 0.929 30 20 JCED CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)cn1 1295933962 LLBNQSXOETVGOF-LJQANCHMSA-N 450.503 0.945 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1300882644 KNGTYLPKWZGQRN-QGZVFWFLSA-N 458.544 0.546 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(F)cc2)C1 1302485521 SBPWASYQBLGLLF-ZWKOTPCHSA-N 464.523 0.722 30 20 JCED CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCOCC1 1302599613 ADBACSHOJMKTMQ-DOTOQJQBSA-N 483.664 0.977 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)cc1 1318314625 QMLNOYKYNDDKGO-UHFFFAOYSA-N 458.544 0.619 30 20 JCED CNC(=O)c1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c1 1554415120 LYEAYZKFKBXWPF-CRAIPNDOSA-N 475.575 0.757 30 20 JCED Cc1c(Br)c(C)n(NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c(=O)c1C#N 1654530989 MJWCXAOMXDQSMH-VIFPVBQESA-N 457.310 0.270 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1692786537 VHGGNPZUBKUSSR-XJKSGUPXSA-N 462.573 0.688 30 20 JCED Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c(N2CCOCC2)c1 1707493535 ZDOBBQAKGJKUJC-MJGOQNOKSA-N 489.602 0.810 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCOCC1 1761414126 KSUYTMKSENVXAM-BBWFWOEESA-N 455.585 0.070 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1779180306 OJFKWAIMGJADBZ-PYTHTCQNSA-N 483.550 0.925 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779311636 WSLUGDJAOGNOHG-YZZKKUAISA-N 482.578 0.437 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)ccc1F 1781302176 ITXPMXWZEOZYFA-NRFANRHFSA-N 476.555 0.930 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782640317 DJEGKSNVGSCCKY-QHCPKHFHSA-N 451.483 0.895 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)O2)C1 1783555990 MOTCDWDCQSVEHN-AOMKIAJQSA-N 477.514 0.073 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@H]4NC(=O)NC4=O)[C@H]3C2)cc(C(F)(F)F)c1 1785153584 VUQRAJYZCHPSTC-SJWGOKEGSA-N 493.442 0.768 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@H]4NC(=O)NC4=O)[C@H]3C2)cc1C#N 1785153977 HPEGDDJOVGGSLX-BOLBYERCSA-N 483.525 0.537 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1785576992 KAHSKUQLXKURSE-OYHNWAKOSA-N 475.550 0.066 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1785578192 XAHXPDIWJHWVOR-AOMKIAJQSA-N 459.503 0.542 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3C)[C@H]2C1 1785872883 AGPJTMXJXVCFEY-JPLJXNOCSA-N 486.569 0.895 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786808265 KHBVDUBQPHWGTC-XSLAGTTESA-N 478.594 0.146 30 20 JCED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21)c1ccccc1 1788708866 ZQCYDCJITWEQQM-KGWSWXIGSA-N 454.571 0.756 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1788772035 XUISYLIVRRWIJN-VMXMFDLUSA-N 461.946 0.822 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1789838443 WWKRGMDYMLNMQJ-VMXHOPILSA-N 492.573 0.771 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)[C@H]2C1 1789913463 FLAWRLOVVIZJMM-YTEZWJELSA-N 479.574 0.688 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1790174434 DKNYAVKMQJSLHV-NBOOPKSLSA-N 467.567 0.091 30 20 JCED CCOC(=O)c1c(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c[nH]c1C 1791073254 WTDPUNFUFHUXIS-BZSNNMDCSA-N 459.499 0.500 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C[C@@H]21 1791274183 CDQCMBMSRNMUFU-LNLFQRSKSA-N 454.531 0.735 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791332327 AQPNLVVHNQOPIX-ODZAAPRTSA-N 495.617 0.911 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21)c1ccc(O)cc1 1791336214 SUNWLAPBWZKGFD-HCCRJNFWSA-N 485.581 0.520 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCc2sccc2C1 1793896419 KBVFBDLBYVHPRU-RMFSNUHRSA-N 459.616 0.978 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cnn(-c2cccnc2)c1 1794445334 ONNPVGWAZASCGO-KXLQCMJNSA-N 468.514 1.000 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CS(C)(=O)=O)C3)c(O)n1 1794488505 GAHHMDFLFAOHPY-OAFZBRQQSA-N 465.572 0.790 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)CC2)CC1 1795408734 LLLQLEDFDAFNHR-VTYHHJSWSA-N 471.602 0.603 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(C(F)(F)F)cn2n1 1795969820 XGKHRIHFNQZHEC-VWPFQQQWSA-N 465.432 0.990 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)n1 1796720175 ULOWAFOTRHEZRN-CWPLJXCYSA-N 472.498 0.900 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C1 1797120342 OWPCWSBQSHHJEC-KYHREEPGSA-N 461.559 0.607 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COc3ccccc3O1)C2 1797809002 WWCICLAATVBWRF-HGOBESDWSA-N 459.499 0.945 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797893655 VAJMZWIXLPYCMF-PHFADZCDSA-N 459.499 0.551 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccn(C)c2=O)C3)c(C#N)c1 1799238951 PTNNYHIKIAYXPS-OPMZPASUSA-N 450.495 0.711 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1)[C@@H]1SC(=N)NC1=O 1799325683 RNJRNJFBNVDILG-RYSTZINWSA-N 473.530 0.632 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1799683473 DZOYJMITENVJOQ-ACNBBOPNSA-N 484.513 0.481 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1800806546 FJJHTCDYCWLSKG-KYHREEPGSA-N 481.590 0.929 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2)c1ccc(O)cc1 1801058305 ULQUCLBLTNZQJN-MVOHMCPASA-N 464.522 0.736 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(I)ccc1F 1801884429 FPYZWBMQZSMFBL-YQYWCBKUSA-N 486.237 0.722 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1)c1n[nH]c2c1CS(=O)(=O)C2 1807737673 LRWQQDYVNTXILO-KKSFZXQISA-N 453.524 0.966 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808820608 PWFSJAFQLYVIMT-RDPSFJRHSA-N 491.541 0.262 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810328541 ZXNCPXKLVXUKSY-NNMXDRDESA-N 455.559 0.379 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810395209 QRYOEZHHIFXMRK-BNYBZKDHSA-N 455.515 0.951 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1812876401 KNOIOQPXPNZSPB-JPYJTQIMSA-N 469.519 0.958 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1814954340 NPNDOVYQZUKYNV-HIFRSBDPSA-N 463.491 0.766 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824900312 IOBGGKLTBFJXPP-CCLIMJOLSA-N 463.535 0.687 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)NCCC#N)CC1 1826897152 IWVVYBMPPFEBNU-ROUUACIJSA-N 451.568 0.952 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)O)C2)C1 1828494586 PLSNCFKGENKEGP-PAOWDLQYSA-N 484.553 0.678 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1829263150 LRPFHEHPEAOPLW-MHECFPHRSA-N 454.527 0.939 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829308028 KJOOTYFRPVZLKT-BXKMTCNYSA-N 484.509 0.051 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccnnc3)C2)C1 1829332236 FOVQNPZPVADCME-XMMPIXPASA-N 477.477 0.630 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Oc3ccccn3)C2)C1 1829773411 IOODFRGBTYJVET-VQLQEPDVSA-N 458.515 0.164 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1829787544 YAXCGTPCKXUVJT-HSZRJFAPSA-N 462.547 0.706 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)ccc1F 1829956442 NCLIIAXRUAIYOZ-HXOBKFHXSA-N 458.490 0.222 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1830352754 NZYPXQZNWRFAPG-WSUBETFTSA-N 469.538 0.036 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)CCO2 1830778159 CAIXCCFJDZOFNP-RDPSFJRHSA-N 491.610 0.922 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3-c3ccccc3)C2)C1 1831393614 YWLQUFSPWAVIFI-CYFREDJKSA-N 452.511 0.981 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3c(C)cccc3C)C2)C1 1831396890 LYZPIKZHAKHDGC-NTKDMRAZSA-N 457.527 0.737 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCO2)c1ccc(O)cc1 1832381564 YNHOFCAUJKEGJX-IBVKSMDESA-N 496.564 0.954 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1832458283 JKHZMDVVGDHECM-VGOFRKELSA-N 487.619 0.638 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1cccs1 1833031517 KLQKYBPJWKYNIJ-NYNQOQISSA-N 474.539 0.646 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834299668 KXKMZEBBEQSDPM-HXOBKFHXSA-N 473.530 0.463 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCN(C)CC4)CCO3)C2)c1 1835405219 SFXVKVCEZYAUJM-RUZDIDTESA-N 469.586 0.574 30 20 JCED O=C(/C=C\C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)NC1CC1 1835659538 JPHNESRLJMTGBF-AZJMDXHJSA-N 475.590 0.922 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)s1 1836080399 MXFLQZRIMRHLPZ-BCVDLATCSA-N 450.565 0.317 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc(C)cn4)CCO3)C2)c1 1836200084 HFMDVHCJGFDFDG-QHCPKHFHSA-N 453.499 0.842 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csc(Br)n1)CCO2 1836565854 OSFDCBFPSDFMLV-INIZCTEOSA-N 458.290 0.064 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837447363 ZLLJPHUPRZNPKA-NWBNNPRYSA-N 473.509 0.410 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1837447983 ZMAWXVVMFHZRSQ-HYNUZKETSA-N 458.563 0.443 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838117639 MMYNWYLWIYATBM-XMMPIXPASA-N 481.557 0.619 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c1Cl 1838600195 USIVTNBFZPCFOZ-OAQYLSRUSA-N 458.906 0.963 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1838605279 WRKXICCBEUSGIT-DEOSSOPVSA-N 483.525 0.942 30 20 JCED CN(CC(=O)N1CCC(OC2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1)C(=O)C(=O)O 1838696401 KKZHLDXKEJLSKJ-UHFFFAOYSA-N 496.524 0.590 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncnc4)C3)C2)c(C#N)c1 1839131684 SKZZESPIOSUZNO-QHCPKHFHSA-N 451.483 0.670 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839209707 LCNPZOAKDYGOMT-ZHRRBRCNSA-N 468.551 0.268 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839226117 FJKCYFXTYWRXCS-VGSWGCGISA-N 458.519 0.529 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc([N+](=O)[O-])c1OC 1839471405 AZNKOXAGLNULBI-JOCHJYFZSA-N 474.470 0.986 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C1)CCC2 1839582332 BNKWOWMJGLGTGQ-XTXAWSSWSA-N 475.546 0.508 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1839761449 KBBWYTBNQJGBJA-MHTGZXFVSA-N 467.519 0.315 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O1)CCO2 1840016577 KVKGBAMPKJZBLR-ZHSNQQFMSA-N 463.531 0.100 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3cccc(Br)c3)C2)C1 1840043448 ZMLPXABQVLEHIV-AZUAARDMSA-N 481.299 0.027 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1)c1ccc(O)cc1 1840219720 ZVMQNLYYPSVHQB-YADARESESA-N 460.527 0.965 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840276757 AIRAOCIJDZUNBS-UZUQRXQVSA-N 479.530 0.178 30 20 JCED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1840322672 QIUMABQBDVXDMC-HSZRJFAPSA-N 474.514 0.771 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c1Cl 1840358399 FDFBGXCOTYXCOV-OAQYLSRUSA-N 458.906 0.963 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1840907231 QZWDQJACYBVQQS-GAJHUEQPSA-N 473.530 0.463 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1845210346 FFHCKSGFIQPSDO-GOSISDBHSA-N 486.525 0.604 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1847090209 YJFXDEQARALDNF-KRWDZBQOSA-N 476.574 0.657 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1 19353031 HBCIXUBUOWLPKY-UHFFFAOYSA-N 453.498 0.762 30 20 JCED COC(=O)c1nn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)c2noc(C)c12 727165511 GRRKGRZKHDUJCY-UHFFFAOYSA-N 472.483 0.315 30 20 JCED C#CCN(C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)[C@H]1CCS(=O)(=O)C1 729334836 WKRWIDIYKNFIOA-SFHVURJKSA-N 472.585 0.233 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CCS(C)(=O)=O 729674500 IPKMREMRBSZGBZ-UHFFFAOYSA-N 498.424 0.745 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc(F)c2F)c1=O 730802082 YFMAHSPEKJNKKA-UHFFFAOYSA-N 481.546 0.794 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NC1CCN(C(C)=O)CC1 899459005 YCHCYOZRBNACNV-GOSISDBHSA-N 478.571 0.954 30 20 JCED N#CCOc1cccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 915733497 ROOJEQDTJBALBV-UHFFFAOYSA-N 458.496 0.865 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCCCn3cccn3)CC2)cc1 918913074 KXXOOPPVPOFYRP-UHFFFAOYSA-N 459.528 0.905 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F 921154756 CZINJJPRSUGUIH-UHFFFAOYSA-N 486.503 0.907 30 20 JCED CCNC(=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1296265564 ZSFQJQNSBRFYJV-YWZLYKJASA-N 483.570 0.359 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 1359085041 ZNHYYWHIDYFQNK-CHWSQXEVSA-N 477.385 0.221 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCOC1 1497039002 RIGMCHOQSIXHPW-HSZRJFAPSA-N 468.562 0.941 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1COCCO1 1510222123 VUPYURIMWYGKNO-WMZOPIPTSA-N 475.575 0.502 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1517067815 SYXRHQBHRQVTAD-KRWDZBQOSA-N 474.543 0.211 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 1541943458 WTXVCPFQZILNOB-IDJQYWQCSA-N 469.637 0.366 30 20 JCED COCc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)ccc1F 1555307911 XTOROLOZWJCRLV-IEBWSBKVSA-N 494.549 0.674 30 20 JCED CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1610091502 OZNSMURXQMVEOX-KXBFYZLASA-N 453.569 0.266 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CCO1 1618691100 UXJJPCQNRJXRRH-LJQANCHMSA-N 453.547 0.879 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1693880630 QBWQTKFFCRNQQT-XWFZLUIHSA-N 490.586 0.659 30 20 JCED CCN1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1728573471 XBHUBPGZUFAWSL-FCEWJHQRSA-N 455.560 0.395 30 20 JCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740743131 NFIYHFFTONGGDR-AWEZNQCLSA-N 475.351 0.958 30 20 JCED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1748288673 RMSVQGOZFYOPGX-UHFFFAOYSA-N 490.565 0.401 30 20 JCED CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H]1OC 1750190198 NJFPPIFAEHYEPX-CALCHBBNSA-N 450.521 0.128 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134728 NMZQAMUXBFUQHO-MYLUVWHHSA-N 478.546 0.804 30 20 JCED COC(=O)CSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779419725 ISVOHROOAWEIRL-AQQKGRJMSA-N 471.576 0.936 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C3)c1 1780088912 ISEKZSVNFCJKQL-YCRNBWNJSA-N 457.531 0.287 30 20 JCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1)N1CCN(C)CC1 1781093672 CARNVIIZXJMEQC-AVIWDUSBSA-N 460.600 0.953 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)CCOC1 1782013897 XCKCBLSXNQPVRE-ZGNKEGEESA-N 479.530 0.272 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2c(C)nn(C)c2C)C1 1782550589 ANFDWCZOSDBJSC-PHWUDJAYSA-N 457.575 0.952 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1783925900 JIOMVGMKEJNOQR-QLAYCGNHSA-N 450.513 0.933 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1784309328 UGRZCAFSZYNELD-ZJTDPSCFSA-N 467.592 0.994 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1784371631 XVYSDNKLWATJRG-ZJSXRUAMSA-N 483.956 0.992 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1784785747 PHJCGEGPLCXAST-ICUGJSFKSA-N 452.552 0.570 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C[C@@H]21 1788576174 LBYBRQLBGVCOKL-UVBQOVKKSA-N 461.563 0.010 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790328376 VAMRKJUNIPLPKE-CJCBUOBESA-N 473.555 0.709 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](CCN(C)C)(Cc3ccccc3)C(=O)O)[C@H]2C1 1790662430 GUNXYTIGMMHUHW-AIFLQVKLSA-N 455.555 0.865 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)c(O)n1 1791394418 FZBZNDRLVMNKPJ-SNRMKQJTSA-N 468.510 0.424 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3CC3)c2C1 1793258554 NHAXNDDPPPQBBC-XEMDLRDOSA-N 484.557 0.645 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1793597585 OECGVXUJMNBSDG-ZMMAXQRCSA-N 480.562 0.888 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793613843 YOEUFUFUSXLRFY-FEJSZKPUSA-N 459.619 0.942 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O)C(C)(C)S 1794211262 BTKGLNNPBIAYOH-JTTNIQEDSA-N 497.618 0.824 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1796436555 OXHMXVVSJVNTAM-OPMZPASUSA-N 479.986 0.707 30 20 JCED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]nnc3n2)c(C#N)c1 1796571771 QGDDEHLODYMSJI-MUJYYYPQSA-N 462.470 0.187 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnn2c1CN(C(=O)OC(C)(C)C)CC2 1797315520 JFAQMWZRROAGMR-HGKCTWBKSA-N 472.546 0.645 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)c(C(F)(F)F)n1 1797624366 YWPLAEOZKKOJIN-CULMDFNYSA-N 478.435 0.508 30 20 JCED Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/O[C@@H]3CCCCO3)c(C)n2n1 1797811897 HYHLMKBYLIFUFS-SFZCGBOASA-N 471.518 0.473 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1 1798493287 HZYHPROAGWPMIH-ZWCLTMICSA-N 478.590 0.745 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C1CCOCC1 1799259833 WKFHWXQGXWSDHP-WYADAEROSA-N 493.557 0.374 30 20 JCED CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1802680196 MEJYCPALQNPNBY-ORGIDWNWSA-N 460.535 0.888 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)[C@H]2c2cccnc2)CC1 1809669227 OSBGPANQQIBFBM-ZJGYYHQASA-N 480.569 0.964 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1812712631 PNFBOTNFAKIKFG-OZXSUGGESA-N 479.581 0.878 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)CC#N)[C@@H]1c1cccnc1 1814218659 UEJSVDYRSICFBL-TXPKVOOTSA-N 458.519 0.770 30 20 JCED CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1)C(=O)C(=O)O 1819848924 ROHSFECOVXXHRX-CYBMUJFWSA-N 462.528 0.297 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4ccoc4C3)C2)C1 1829762288 CJHQRFFGJIHINL-BIJHHHAMSA-N 457.527 0.699 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccnc3Cl)C2)C1 1829763786 BAJROYRZAPHEHB-VKUXZERMSA-N 466.897 0.803 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(OCF)cn4)C3)C2)cc1 1829900788 MONSUEBXQFJTKC-HSZRJFAPSA-N 469.473 0.967 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)cc1 1829944694 KYBYAOBHGNHFDZ-RDPSFJRHSA-N 454.527 0.473 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1 1830063087 IIOVAQGBKYITDE-HSZRJFAPSA-N 459.499 0.858 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)c1=O 1830456549 LZINMLMMFZGWRK-VWLOTQADSA-N 464.522 0.960 30 20 JCED Cc1cn(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)c(=O)nc1O 1830464511 HXPVIQBNSFKZQO-VWLOTQADSA-N 495.536 0.218 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CC)CCO2)C1 1830526320 UEZVUZJEJRJGJK-KHCICDEESA-N 481.590 0.911 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)CCO2 1830957643 NFFQYTPHEMRIID-QHCPKHFHSA-N 459.547 0.734 30 20 JCED CN(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC2(O)CCCCC2)CC1)C(=O)C(=O)O 1831165506 PMKAVCPESPKSDE-IBGZPJMESA-N 461.559 0.848 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1831397453 YOIDYOVEVRGDOR-LAUBAEHRSA-N 450.561 0.446 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)C2)C1 1831402687 OYGHUGREOMHNCB-KOSHJBKYSA-N 479.574 0.738 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cnc[nH]4)CCO3)C2)c(C#N)c1 1832815184 RFDROAAMWOGIDZ-DEOSSOPVSA-N 467.526 0.922 30 20 JCED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1833448796 NPSXEUJNZJEIMA-MRXNPFEDSA-N 460.666 0.805 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)CC1 1833466348 APSSPRVPHCUZGC-NQIIRXRSSA-N 494.633 0.872 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](S)C(C)C)CC2)CC1 1833488429 DNHAOEIZJFIBJM-CRAIPNDOSA-N 462.682 0.840 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833563942 IAMDVYXDQGBGFH-JTSKRJEESA-N 481.571 0.287 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)CCO2)C1 1833566538 ICPZTWIWSIHQBR-MWTRTKDXSA-N 490.557 0.819 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)c(O)n1 1833698797 NJIGTOXXRCWCTM-RUZDIDTESA-N 498.536 0.999 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)CC2)CC1 1835432090 DHXSNKPYAKPYKG-VQTJNVASSA-N 462.591 0.809 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1837396438 GUTWGXMSXMYAFD-NTKDMRAZSA-N 472.542 0.698 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1837397239 UONYMGJYCXNHCV-GAJHUEQPSA-N 490.582 0.708 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)n1 1837659096 PNNFLDFMKNZDJW-VWLOTQADSA-N 479.537 0.929 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838073061 VKXAEVCJWYYEGL-NYHFZMIOSA-N 477.518 0.102 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838766039 QCOBXYKRNNWSGI-MDHRDNESSA-N 490.439 0.423 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839130816 VPEODRUCYIIGJK-UUOWRZLLSA-N 494.589 0.405 30 20 JCED CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132276 CKEHPUCPKOTLGO-HOYKHHGWSA-N 458.559 0.906 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1839175996 PEPLVWOKAHTWLK-DEOSSOPVSA-N 495.573 0.821 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839240785 VDQDYGYTPGQLKK-CYSJGKSUSA-N 463.535 0.554 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-c3ccc(O)nn3)cc1)CCO2 1839470551 UWYYRRCOOJALGH-HSZRJFAPSA-N 466.450 0.007 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839719013 YXCQOQQDWMSWTL-IIBYNOLFSA-N 479.490 0.014 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)cc1 1839783979 GHJOTLUQIHROJO-SIKLNZKXSA-N 461.540 0.400 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839837941 BGXQTHVAZGTMTG-GSHUGGBRSA-N 455.552 0.541 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CN5CCCCC5=O)CCO4)C3)c2c1 1840106080 AYEICYOBRGHSAJ-XMMPIXPASA-N 480.525 0.517 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1)c1ccc(O)cc1 1840222120 FFONGSTYWQVXDE-DVECYGJZSA-N 457.527 0.611 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840902989 MZXHMTYATJVHEQ-HOYKHHGWSA-N 454.527 0.955 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1840909066 LXJKGNIPMDNQNO-CPJSRVTESA-N 486.569 0.997 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1)C(C)(C)S 1844224808 FUTURSHBCAPVDH-CQSZACIVSA-N 453.565 0.667 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1845131799 RNTPXPCDUPQNHO-CVEARBPZSA-N 475.546 0.485 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1847103580 HUIDKLCNUINPHL-UHFFFAOYSA-N 477.514 0.518 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/N1CCCCC1 1847640654 GFACIDAQURZMRX-IOVNINHTSA-N 451.568 0.936 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCSc1ccccc1 502057512 MFPIKBWNKCIPPQ-UHFFFAOYSA-N 469.592 0.701 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2F)c1=O 522284172 OSIAFIQNKLMVDY-UHFFFAOYSA-N 474.558 0.037 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 592993739 YDVDGWVQTAGFMT-CYBMUJFWSA-N 468.514 0.619 30 20 JCED CN(CC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)S(=O)(=O)c1ccc(C#N)cc1 603440969 QVDINEIDWVHSGP-UHFFFAOYSA-N 496.542 0.977 30 20 JCED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 604148591 YVPNOCIZRABLFA-UHFFFAOYSA-N 497.577 0.862 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(Cl)c1 726960837 BTJFHKMODKKIHE-UHFFFAOYSA-N 473.942 0.560 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 728536348 WUFZHIGTLCERDN-IRXDYDNUSA-N 497.017 0.645 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCOC 844254421 RPMVUSYJKUCKQO-UHFFFAOYSA-N 456.503 0.305 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(C)nn(-c3ccccc3)c2C)c1=O 917356120 GKWDKOJZWXVLNN-UHFFFAOYSA-N 493.589 0.721 30 20 JCED CN1CCN(C(=O)c2ccc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 1136229444 WMGTYHDWWRRFHK-UHFFFAOYSA-N 455.540 0.541 30 20 JCED CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1314833647 PZRVSBBLTHWINX-OAQYLSRUSA-N 453.528 0.835 30 20 JCED COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CC1=O 1316123904 VUZQQUGNLSHTOO-HXUWFJFHSA-N 481.557 0.892 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCSCC2)C1 1510292382 ONDPFYUPYFTUKU-FXAWDEMLSA-N 483.664 0.790 30 20 JCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCS(=O)(=O)Cc2ccccc2)CCO1 1555993427 OGMBXVBDRRFWNV-OALUTQOASA-N 493.611 0.914 30 20 JCED CC[S@@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1617445056 WSCPLTMKBYZRPI-RCUPCANXSA-N 471.591 0.546 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C1CC1 1617907814 JSONAZGIGJYPQO-IBGZPJMESA-N 487.586 0.645 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1 1632647525 QMBLLZXAANTNNW-GOSISDBHSA-N 454.574 0.690 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@@](C)(O)C(C)C)CC2)c1C#N 1742669158 JTZIEUIEYNVZPA-HTAPYJJXSA-N 455.567 0.876 30 20 JCED Cc1nc2ccccc2n1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1751795492 PWYPJIKHRGHJGT-GDBMZVCRSA-N 458.548 0.975 30 20 JCED COC1(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)CN(C(=O)OC(C)(C)C)C1 1778767012 QASXFRUZKVXLFR-UZUQRXQVSA-N 493.557 0.614 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3CCN(C)CC3)C2)c(C#N)c1 1778850010 IFVHTTYFEVJBDI-ZEQKJWHPSA-N 483.613 0.871 30 20 JCED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778911930 RJZKCMOJKGNKQX-DENIHFKCSA-N 452.621 0.584 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779101893 UDLIGNJOZCIIJO-VJIOCRDPSA-N 494.570 0.599 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)c1 1780173842 GPIDKABRWRFSML-DEOSSOPVSA-N 478.509 0.654 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)ccc1F 1781295066 IPCQNOHEXMVMBM-HSZRJFAPSA-N 451.458 0.877 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781297308 YBGYOQCKJLBAOD-VGSWGCGISA-N 462.551 0.968 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782568152 WXVHKZJBKNJRDT-OGDVTRPRSA-N 460.466 0.841 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC#N)C2 1783276499 OMHFIBCACYHCND-WJONJSRFSA-N 465.551 0.573 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1783644013 BZRSWEOVPQRHTI-YJPXFSGGSA-N 457.593 0.895 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1783769548 VRECGWQCGKLRSN-HXOBKFHXSA-N 475.546 0.543 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C[C@@H]21 1784482019 BAESNHQOZMJUTJ-JKBKZWBZSA-N 496.568 0.198 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1784786651 RGZDESOJFWVODG-CUSZFKRNSA-N 462.551 0.878 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1785631474 DWDFHVVZJJIIFV-YCRPNKLZSA-N 453.540 0.344 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786891195 UEXZIULSZOEIMO-OYSTVDSJSA-N 495.621 0.418 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnn3)[C@H]2C1 1787118152 QRRASPWPGDQRHC-FJIDUMEYSA-N 462.551 0.727 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787507531 ZZUMKBKEYJFSHJ-ZJOUEHCJSA-N 490.582 0.342 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)nc1 1788601344 YMGDWWBVQDUZNK-ZRRIGXHUSA-N 477.587 0.550 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]2C1 1788780430 ZEGTXMCIXLXHIK-FSGKZVOOSA-N 494.589 0.034 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)N4CCN(C)CC4)C[C@@H]32)c(C#N)c1 1789841345 FCVOSWBKBCLVTG-KUHDOKTFSA-N 483.613 0.725 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]4CCO[C@@H]43)[C@H]2C1 1791123831 MOILLUZINFPKKH-SFCTXJNXSA-N 461.559 0.871 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CC(=O)NC2=O)cc(C(F)(F)F)c1 1793835014 RYSMSHILHBJPQK-ZSBFGKGUSA-N 479.415 0.332 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796300694 IEZJZBXDGZZGDL-UHDSXZAQSA-N 456.540 0.263 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1797119317 CCHUEEVTGICYRU-XVMXLUHGSA-N 479.574 0.232 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)cnn1C)C2 1799303717 QDGJYBXGJMJMTH-YWVIFJGQSA-N 469.336 0.895 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799643872 ZPTSIUKCFIZHEJ-AJYBTWMASA-N 458.515 0.799 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3nc[nH]c3[N+](=O)[O-])C4)c2c1 1799882530 UMLRHPXHPJHQGE-JJLQDPRZSA-N 450.415 0.583 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)CO2)C1 1800710069 GLMJJPSNXCNLEU-VXIBKDFQSA-N 462.547 0.906 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1800783686 YONRKVGBEHZQCI-AXOBIWJESA-N 476.574 0.834 30 20 JCED COC(=O)[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2)NC(=O)OC(C)(C)C 1800911619 ZIFTXLZNLGYXOX-KYHPRHEASA-N 478.546 0.726 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1800981586 ODSAKVJFNSBPCN-ZMMAXQRCSA-N 493.561 0.685 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccnc1 1802480082 AGFGCAYNAWKLPL-JTTZZOPQSA-N 453.459 0.891 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1803555452 JYUCELHNFSDIOF-JXFKEZNVSA-N 466.502 0.510 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1804460630 ZWTDPCHIQOSWMF-FZKCQIBNSA-N 479.534 0.054 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2CC(=O)NC2=O)CC3)ccc1F 1822960222 PZYKQUWQXXUYQX-CYBMUJFWSA-N 470.486 0.860 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(Cl)cccc4n3)C2)C1 1829766345 SQZWLWDWDKGRPI-FUMRIQNTSA-N 487.944 0.916 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1830184621 QKFIDYQIRBCEHC-GVFUYMABSA-N 492.598 0.632 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)cn3)C2)C1 1831396951 TXCLAKBWRNOLJZ-FOIQADDNSA-N 466.332 0.952 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1831397365 RKUFQDSPHYWSBN-JPYJTQIMSA-N 483.562 0.022 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1831420802 ZZXQJXXLSWMTLB-UZXLYKSHSA-N 471.554 0.907 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)c3ccccc3C1=O)CCO2 1832530792 HERCHERUGDFPKR-RUZDIDTESA-N 465.506 0.543 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833400524 YJVLEPBUPKYOGM-KKSFZXQISA-N 451.545 0.767 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccnc4CS(C)(=O)=O)CCO3)C2)C1 1833563783 XMOLZGYEMDILEH-QFIPXVFZSA-N 463.556 0.662 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833618217 ZVWUJBBRGMZVTK-WZONZLPQSA-N 453.499 0.376 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(OC)cn2)CCO3)c(C#N)c1 1834530802 RMVMMXNRDKNICT-XMMPIXPASA-N 481.509 0.678 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)CCNC5=O)CCO3)C2)c1 1834563934 MBJDYMXBNZHTDQ-QHCPKHFHSA-N 482.472 0.021 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834753311 FJTZPKUOZBUZMV-IMRHEYAYSA-N 480.562 0.364 30 20 JCED CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1834944403 HFWIWJXUZSFKDC-XMMPIXPASA-N 493.605 0.545 30 20 JCED C[C@@H](Cc1ccncc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682214 BUZILELDSAFSCW-YADARESESA-N 457.575 0.998 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682731 SRMBDYJPMWVCRQ-WMZHIEFXSA-N 451.612 0.703 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1)c1ccccc1 1835761639 QWTLFCJGPYGYOQ-STWLZBDKSA-N 471.554 0.703 30 20 JCED N[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1cccnc1 1835833266 GKAPAUVQZNNZEW-OFVILXPXSA-N 470.570 0.627 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CNC(=O)c2ccco2)CCO3)cc1 1836121402 FJZKWANHQVLRCK-RUZDIDTESA-N 480.521 0.970 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836977811 NQIAQTPAFGTINP-RUZDIDTESA-N 470.570 0.988 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837199600 JZTQHFGVKGXNKM-QFIPXVFZSA-N 457.487 0.537 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1837307619 FGRCFDVVXCXSLL-HOYKHHGWSA-N 467.526 0.928 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443766 QLNJAIRFFZIVPH-QOOAHNBZSA-N 497.394 0.724 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nc2ccccc21 1837563770 ZUMUEIINZPZZRB-IZEYGWMZSA-N 493.520 0.716 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1)c1ccccc1 1837610480 SRXOOFGXDGXSLR-PXDATVDWSA-N 470.570 0.911 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837633232 HWKSTIFREPBHMX-UROCCOEBSA-N 475.542 0.891 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1838328104 PQCSRCJKGYTFLR-LFTXJPJQSA-N 485.522 0.146 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(-n5cnnc5)cc4)C3)C2)c1 1838735107 WHPDRKMBLNZBEA-QHCPKHFHSA-N 461.482 0.851 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccnc(OC)c3)C2)C1 1839173303 JAALBHDHCHSXAU-XMMPIXPASA-N 475.542 0.989 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)ccc1F 1839187269 STNJHPJSMQKVEU-NZQKXSOJSA-N 487.557 0.723 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cn6cccnc6n5)C4)C3)c2c1 1839488559 YSTYPJLMHYIPRX-XMMPIXPASA-N 486.492 0.861 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)c5n[nH]c6ccc(C#N)cc56)CCO4)C3)(C1)C2 1839488954 KEPIFWUNJJNBGD-STEQJIOHSA-N 493.520 0.848 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)C2)CC1 1839896908 KSVSANDQTLSAEF-FQEVSTJZSA-N 496.442 0.995 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840040322 UXRBRYKXFJIKOQ-YGKZAACZSA-N 479.530 0.224 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1840168647 WJHRFQUXGDLPJQ-DEOSSOPVSA-N 452.511 0.807 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840174452 FGAUJCCAGPGQJE-YADHBBJMSA-N 453.536 0.703 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251761 WVDXFTCXZAEMIL-AXHZCLLHSA-N 476.574 0.536 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840646759 RQCBOUGREMKBHQ-QHCPKHFHSA-N 457.531 0.137 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3C)C2)C1 1840909527 VDQBQSQNIWPESM-CYFREDJKSA-N 487.557 0.772 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1841054158 RMHIKCUVFHGQTF-HJWRWDBZSA-N 450.495 0.735 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841892272 QFTVTTWABPIXQR-MRXNPFEDSA-N 475.546 0.438 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1845201609 VSTYJYRFTAAIPL-OAHLLOKOSA-N 466.535 0.592 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C2)C1 1846000782 BRLBQVKPWURBLF-HOTGVXAUSA-N 493.561 0.131 30 20 JCED CC(C)C[C@H](C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)N1C(=O)c2ccccc2C1=O 1846196548 MYMQDILSDYLXMH-GOSISDBHSA-N 451.479 0.989 30 20 JCED C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2=O 16775880 JTXULYWOQCYKOE-KSFYIVLOSA-N 473.555 0.892 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccc(C)c2)c1=O 501764080 FZXFYHDBGGPDKW-GOSISDBHSA-N 469.563 0.970 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)c(C)c1 502000946 KDUKRKCAHOOIKD-UHFFFAOYSA-N 451.552 0.905 30 20 JCED Cc1noc([C@H]2CCCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)n1 516616611 OFTFUDKRXONRCP-SFHVURJKSA-N 458.544 0.962 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccccc3OC(F)F)c2=O)cn1 523580050 PTUJHYJXNOBKNS-UHFFFAOYSA-N 489.504 0.982 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C)n3)c(=O)n2-c2cnn(CC)c2)CC1 523581173 QHIQVGLNVYBYJD-UHFFFAOYSA-N 483.623 0.548 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1 604167914 WWGJPAGSGFTNJK-UHFFFAOYSA-N 454.512 0.780 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCN(C)c1ccccc1 726578942 PCKBDFNHLXTWDF-UHFFFAOYSA-N 480.594 0.435 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(Cl)nc2)CC1 727163379 YPSMIPPQAKZGCU-UHFFFAOYSA-N 483.985 0.348 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)cc2Cl)c1=O 838280418 DVZGKYLNQNXRJP-CYBMUJFWSA-N 465.959 0.872 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(S(N)(=O)=O)ccc3Cl)CC2)o1 914684082 VQIGQHXQLODSAM-UHFFFAOYSA-N 467.891 0.661 30 20 JCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)CC[C@@H]1NC(=O)NC1=O)CCCC2 915377525 OFEJXQRHCGWYLQ-BBRMVZONSA-N 457.487 0.887 30 20 JCED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 916889067 AUZBSFJSMNNEGN-SFHVURJKSA-N 456.480 0.777 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Cl)ccc3OC)c(=O)n2CCOC)CC1 917770154 FOPBTRSUZOZVRN-UHFFFAOYSA-N 491.013 0.885 30 20 JCED C=C(Br)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 921130272 CJPPVSMRLAUFSP-UHFFFAOYSA-N 462.322 0.679 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@H]1C(=O)N1CCSCC1 1142569999 YNWFPWQUOLFTPS-BBRMVZONSA-N 454.599 0.702 30 20 JCED C[C@@H](CC(=O)NCC1(N2CCOCC2)CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1161232710 ZCINUQHSJDMOJE-INIZCTEOSA-N 450.561 0.501 30 20 JCED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1297822560 JBITVFRFAYXXML-XIFFEERXSA-N 473.603 0.708 30 20 JCED COc1ccc(CN2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2=O)cc1 1458630117 YCWMACVZWCHLDE-UHFFFAOYSA-N 456.524 0.995 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cc(F)cc(F)c2)C1 1519564149 RBPMEMPPPBQXNL-QZTJIDSGSA-N 482.513 0.861 30 20 JCED CC(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1596831793 PUCYLDOVAXHHRP-CEXWTWQISA-N 483.639 0.564 30 20 JCED CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)N1CCCC1 1694363919 CMKMDKHUCVNLTQ-YQVWRLOYSA-N 464.640 0.939 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1696576101 IMVOZJFCJNRDOM-LJQANCHMSA-N 450.547 0.696 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1710884828 LBLHQUBPSVAPBX-SFHVURJKSA-N 475.575 0.440 30 20 JCED C[C@@H]1CCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1743118977 VDKRGQFGBVSABR-AEFFLSMTSA-N 451.597 0.835 30 20 JCED COc1ccc(C)cc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1748600511 VZKFQZRGHGOGHS-AZUAARDMSA-N 490.586 0.900 30 20 JCED CS(=O)(=O)CC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1750198224 OOHWXADICFAWSP-MRXNPFEDSA-N 479.584 0.902 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1777963270 CMCHDHHSSXHFSN-OIMFZILRSA-N 467.563 0.424 30 20 JCED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cc2ccc(C#N)cc2)C3)CC1 1778846400 RDFHJJJIAZGCOI-RCZVLFRGSA-N 453.587 0.862 30 20 JCED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CC1 1778848314 ZMOOPDKUCXZBIW-MEKWOCJMSA-N 465.595 0.277 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1778975097 WNPLUIDZMHQHGG-CVDCTZTESA-N 472.579 0.086 30 20 JCED Cn1c(=O)n(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)c2ccccc21 1779020108 YHAWKYBSZWTJGM-LPHATQMZSA-N 468.558 0.642 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1cccnc1)C2 1779334094 OXJHVOVHMRYBHA-XLNZFTOWSA-N 458.559 0.898 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1779396628 WGOYFRBFJQWNPO-NTKDMRAZSA-N 471.554 0.514 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)N2CCOCC2)C3)c1 1780090367 IUIHBZMXQURASO-KIFXHHALSA-N 472.542 0.345 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780362598 NBOQLEXFZYYXEE-GENQUZARSA-N 460.413 0.796 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780603536 IBTHNFOSNCGQAR-YYVLHXKZSA-N 478.590 0.140 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782787355 XKSBIAUQVGOODB-HSZRJFAPSA-N 481.465 0.537 30 20 JCED C[C@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782873843 AYJYMBRISVEBAX-UIOOFZCWSA-N 492.532 0.318 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)C1)C2 1783270190 UKEGHIWUHZDIIP-UTBIRPSLSA-N 476.574 0.553 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557822 LXQZEMXSHDOQBU-HJPURHCSSA-N 461.515 0.694 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]cc3I)CCO2)C1 1783894885 ZXYYQXYUXUVQFT-YMTOWFKASA-N 450.302 0.776 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1)c1ccc(O)cc1 1784018053 FKNSDHCEFJQMTD-LJFZDNNRSA-N 456.543 0.312 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2)c1ccc(O)cc1 1784018572 UFVFOTZWWDPHNH-BCHFMIIMSA-N 491.548 0.973 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C[C@@H]21 1784482070 FFZNEDDBXWBHEV-DEPCRRQNSA-N 479.574 0.640 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC)NC(=O)OC(C)(C)C)C2)C1 1785339883 FUGGEWNXPLFXEB-XDPABRFXSA-N 464.563 0.978 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787494494 LWJYVBIOQLSUSB-WSRJKRBPSA-N 476.599 0.467 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NNC(=O)C4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1788556427 DJSYNFGNODJOIA-LAQRGFTBSA-N 475.546 0.408 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]3C2)c1 1788640710 QGLPJEXPSMHAGP-MQGJPIDWSA-N 487.509 0.655 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789197838 KDXMTYQSXBMNHG-LNLFQRSKSA-N 455.515 0.666 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(OCCCO)cc3)[C@H]2C1 1789234023 QCRPNPYLHUBQSV-WVLSTQDFSA-N 471.554 0.900 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN(c4cc(NC5CC5)ncn4)C3)[C@H]2C1 1789696740 HYWUZWSJSUXPER-UMGGQSCQSA-N 452.559 0.880 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1789809296 ZJCFTQYMKCCXQG-YRIPFXIYSA-N 481.590 0.785 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1 1790855280 KLQJIQOKEACMHH-DAWKRRPCSA-N 464.563 0.701 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792138605 VFVAAVAPAPZGMU-QAETUUGQSA-N 450.536 0.546 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC)NC(C)=O)C[C@@H]21 1792256814 MIZIQNGZLHSHOV-KNJMJIDISA-N 494.589 0.034 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792636394 UCZIWWSJAADRIP-SFNKJDCFSA-N 493.605 0.887 30 20 JCED O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)NCc1ccccc1 1792939559 HWHYAEBPCWLWBI-BBRDPOOSSA-N 467.570 0.920 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 1793009400 FEVAYAGXYQJFHT-XQPJFTJZSA-N 477.583 0.290 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1793598688 COBLNHNXJXUMEB-AFDCHOCNSA-N 493.649 0.681 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1793599968 NGNMPNWODXOVJN-SFNKJDCFSA-N 462.551 0.727 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccnc2C(N)=O)c(C(F)(F)F)n1 1794265804 DJTYIKHDLJXFNX-DRXBFXEBSA-N 488.426 0.983 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1796334858 RKGGWSWLPJCNBT-YVSFHVDLSA-N 450.536 0.762 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)c1 1796429090 XTARYNBPSOEURC-GSOSKNFBSA-N 471.539 0.573 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797743175 UBVYYNKUUCTNNH-GUPXYLKHSA-N 451.568 0.961 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1)C(C)(C)S 1798635976 LALLTPIWNLGIPC-DLTLXFJOSA-N 495.602 0.575 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1799321351 AIHNIAVEBDZRDQ-CNMWIUBYSA-N 498.577 0.500 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799353484 FQEUMJXCYBCBST-SFNKJDCFSA-N 483.562 0.361 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)nc4cccnn24)C3)c1 1799801925 SWXCUOPTWJPWEL-OPMZPASUSA-N 458.478 0.787 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1799840295 YUCHIMKHEXCLQR-BASYENTBSA-N 465.428 0.877 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)c4ccccc4C3=O)cc1)C2 1800779851 ZUSRSDMCGZNVOS-GPVSGQMNSA-N 487.468 0.778 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2 1800801512 LBSOSLVKKURPLA-QLCXLMDBSA-N 498.577 0.833 30 20 JCED COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)n1 1801992397 JBCUTYSZVCYZDZ-OPMZPASUSA-N 453.499 0.683 30 20 JCED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CC(=O)NC2=O)C3)N(C(=O)OC(C)(C)C)C1 1802505007 NUBPTUMJZQLGPY-YVSFHVDLSA-N 475.546 0.742 30 20 JCED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CNCP(=O)(O)O)C3)N(C(=O)OC(C)(C)C)C1 1802506559 CNFPZAUTBUGXQS-YVSFHVDLSA-N 486.506 0.915 30 20 JCED Cc1cc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)n(-c2cccc(=O)n2C)n1 1812878524 JJNSPMJEHTTWPV-HOYKHHGWSA-N 488.504 0.682 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@@H]1c1cccnc1 1813062722 KLGWDGMKRCMZLG-XSIRIHTQSA-N 458.515 0.562 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1819905022 PCGMRRUJCJOBRF-UMFMSQNGSA-N 467.548 0.235 30 20 JCED CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2ccccc2C#N)n[nH]1)C(=O)C(=O)O 1823388646 YERNZNGCHNLPAI-MRXNPFEDSA-N 468.470 0.895 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)N(C)C)CCN2C(=O)OCc2ccccc2)C1 1828931421 ABYKLEXQRIXJKJ-CLOONOSVSA-N 484.553 0.565 30 20 JCED O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828972652 AQOOZXKUFTWRPK-PNYYXPLCSA-N 486.533 0.575 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829133233 IZINKRUFNMKQDQ-URXFXBBRSA-N 485.541 0.003 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056366 VSVSSMSADPDKAQ-HKARXFIJSA-N 480.562 0.363 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 1830876284 OARIGGSBNYWILL-PMAPCBKXSA-N 469.579 0.929 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885315 BJEHPSPHPWJVRC-JPYJTQIMSA-N 467.563 0.522 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831404462 NSVBKJIAKUHAAZ-JPYJTQIMSA-N 485.578 0.311 30 20 JCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)CC3)CC2)CC1 1833833643 WTANSDVKGWUOST-OAHLLOKOSA-N 468.558 0.868 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834599088 PFASZVZTMFHRSS-KOSHJBKYSA-N 489.525 0.626 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CCN3CCN(C)CC3)CC2)CC1 1834622762 XIMRTSZOTVAYEK-PLNGDYQASA-N 474.650 0.054 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cn3cc(Cl)cn3)CC2)CC1 1834812718 PFZZFILMPCYMDE-ARJAWSKDSA-N 462.982 0.967 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834912530 PFZLCIADXZUZPB-LJQANCHMSA-N 483.660 0.978 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC#N)CCO2 1835351952 GVFHUMNJZIMLJF-JOCHJYFZSA-N 468.551 0.678 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1835644446 NPSMALUZSYXFNQ-VSIOZEBNSA-N 463.535 0.335 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835752438 LAUCSPNGECUHNQ-XMMPIXPASA-N 477.602 0.872 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1835779179 VHZSVQYSDGAWSP-FSJBWODESA-N 456.503 0.785 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(O)n[nH]5)CCO4)C3)c2c1 1835858514 ITCNNLIVUOTIQP-NRFANRHFSA-N 451.443 0.247 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(-c4cccnc4)[nH]n3)CC2)CC1 1835949949 JKFQDVQSFZPHCJ-UHFFFAOYSA-N 450.499 0.745 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c(C(F)(F)F)n1 1836320783 NYPHDNRSESAWMR-LIRRHRJNSA-N 483.403 0.150 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1)c1cccs1 1836520792 RXEGNPJQPMZPIB-BDNZGDGKSA-N 472.523 0.812 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1837446718 NOFLVBUKAXWZFP-DZQSVEARSA-N 478.590 0.848 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446951 SCWLWJGUCJXPKR-ZRQBUMDCSA-N 487.557 0.685 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837531029 BBGKGQMZFWLSQA-YXEXHWSFSA-N 462.503 0.684 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837531615 RBSLNVSXQLJUJV-KJTYKZCZSA-N 490.542 0.685 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1I)CCO2 1837963293 IJVOIRZCMHQFAE-SFHVURJKSA-N 484.294 0.498 30 20 JCED Cc1nc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)o1 1838005035 XKNUWTTUUJIMDP-CMQXEDBBSA-N 450.492 0.890 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)c1 1838336368 DQZSSGNZMYBVJO-QHCPKHFHSA-N 452.467 0.584 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cccnc5nc4O)C3)C2)c1 1838740506 OUNLAYAYMMASTJ-HSZRJFAPSA-N 462.466 0.919 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838758419 PGOHKFMKTQENRM-HRAATJIYSA-N 450.540 0.904 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838904734 VINCITYOFHPUBH-CYFREDJKSA-N 488.541 0.514 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839185768 KQCJRJUNHNYAMY-QFIPXVFZSA-N 479.530 0.602 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1 1839420578 QVKNEKZRAUDTSB-OAQYLSRUSA-N 457.418 0.282 30 20 JCED CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488793 FRAFTLAPZMJDDJ-MWTRTKDXSA-N 454.531 0.845 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c(Cl)c1 1839664831 IIRWLBZBPKZZES-QFIPXVFZSA-N 471.901 0.539 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1839761487 LXZNYGIGVKGPTC-QHCPKHFHSA-N 462.543 0.485 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1)C(F)(F)F 1839893090 LXKCXTVTCKNZED-SFHVURJKSA-N 455.393 0.623 30 20 JCED Cc1c(Br)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)nn1C 1840161804 BGSFTPWSAWMWGY-PXAZEXFGSA-N 461.382 0.879 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1cncn1 1840420835 YGQVGGJXCBSGNE-AOMKIAJQSA-N 456.478 0.549 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])CCO2 1840886352 FLYYPFQJZFPGMR-UZQCKINESA-N 490.488 0.591 30 20 JCED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)ccc1Br 1841892151 ZYJWWNVSSVQSLS-UHFFFAOYSA-N 460.288 0.690 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@H](O)NC(=O)OCC)C3)N(C(=O)OC(C)(C)C)C1 1846449533 NPXLABGINYHSEB-HOTGVXAUSA-N 466.535 0.820 30 20 JCED CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 506821942 QJZRXCCFKGGRCW-UHFFFAOYSA-N 452.514 0.548 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)CC2)nc1 516483582 SBHURJICHSSUJI-NRFANRHFSA-N 490.520 0.255 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C1CCN(C)CC1 517982989 JKYHNNDWZZNIOX-UHFFFAOYSA-N 468.579 0.977 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1-c1cnn(CC)c1 523577144 SJOPJEFUTSFUCR-UHFFFAOYSA-N 481.534 0.882 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc4c(c3)OCCO4)c2=O)cn1 524274892 DMCMKSWDEORNBX-UHFFFAOYSA-N 476.514 0.855 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OC3CCCC3)c2)c1=O 603993344 QLTPNMRZYSZCDY-UHFFFAOYSA-N 482.606 0.720 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cc1 609333535 GZIYMJJLVSYAFJ-UHFFFAOYSA-N 484.578 0.149 30 20 JCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1CCN(c2ccc3nnnn3n2)CC1 726994733 NAYCRUAXXHBNTI-UHFFFAOYSA-N 472.469 0.975 30 20 JCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 838177345 MCYXLUNVOAHPAB-UHFFFAOYSA-N 475.567 0.857 30 20 JCED Cc1nsc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)c1C#N 1450547075 ROIURAAOOVBURE-KRWDZBQOSA-N 458.519 0.714 30 20 JCED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1508434089 MRGFFEJFZUCSBM-HUUCEWRRSA-N 468.605 0.966 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CCO1 1596642090 RFSPDYHAPLCPQR-SFHVURJKSA-N 461.548 0.049 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CN2CCOCC2)c1 1611711741 SJSPANDDSZKJQO-XLIONFOSSA-N 489.602 0.498 30 20 JCED CCCN(CC)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1709719414 UEPOSXDQKBYDJQ-WOJBJXKFSA-N 494.666 0.519 30 20 JCED CCN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1728265647 YLYZAJVBIWAGMJ-KXBFYZLASA-N 453.569 0.219 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCC2(O)CCOCC2)C1 1731012799 OZHPUQCERYEJBR-GOSISDBHSA-N 482.607 0.673 30 20 JCED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1742907679 ZXGFWZRZBRQPIA-MAUKXSAKSA-N 457.560 0.908 30 20 JCED COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNS(C)(=O)=O)c(OC)c1 1770081459 WBNIORWCNRSLTC-MRXNPFEDSA-N 475.575 0.688 30 20 JCED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1770748008 VJRQCBVFESTTOD-INIZCTEOSA-N 459.532 0.221 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778781712 PEJCIOACVFTVMI-PONJGIIJSA-N 484.550 0.350 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064270 CVVMXZRVQFWBDL-KBMIEXCESA-N 492.617 0.757 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)no1 1779064549 DFFNQMHIDKRUPR-HSZRJFAPSA-N 458.515 0.241 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1)c1ccccc1 1779190431 HFYDYJOGEOPJRJ-YADARESESA-N 455.511 0.557 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)ccc1F 1780061016 WUQGNHQCIBUIHP-DEOSSOPVSA-N 476.468 0.786 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)[C@@H](O)C1 1781112275 PPMLJJUCMBMJHZ-LLJLJFOGSA-N 493.605 0.326 30 20 JCED C[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170193 VMSRPOHWYGCGSW-OPAMFIHVSA-N 450.536 0.738 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781200870 XYNVAIWVMFPNCE-JTSKRJEESA-N 455.552 0.949 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1781270928 PLFBBODEGUNVJC-IBGZPJMESA-N 455.558 0.186 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781792539 RUZWHIKFFAKSCB-RUZDIDTESA-N 489.569 0.892 30 20 JCED Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(CC#N)cc4)C3)C2)c(=O)nc1O 1781793515 IMXZPEVCPAKZBO-QHCPKHFHSA-N 451.483 0.467 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1782107878 OOVLSAIKSHZXGW-FGDDKPPBSA-N 495.621 0.563 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)c1ccccc1 1782747871 OYCBUOVAIHBASW-NTKDMRAZSA-N 455.511 0.557 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nn(C)c(CC)c1I)CCO2 1783048630 FJYKFIXONKHMPG-QGZVFWFLSA-N 456.284 0.664 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)OC)C[C@@H]21 1783533321 VESOOXXUDGNAQR-UPQKOEBJSA-N 459.543 0.580 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(O)cc1 1783556844 WODXYFYTMNDQHB-HYBUGGRVSA-N 487.509 0.876 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC(F)(F)C1 1783561893 OIVMBEKAQHCORE-YCRPNKLZSA-N 485.484 0.797 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1783900488 IBAOUZVMYNHMPA-PONJGIIJSA-N 486.635 0.896 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1)C(C)(C)S 1784041931 LPQRJVTXYHOJLL-XSSDXNQZSA-N 498.646 0.944 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNCP(=O)(O)O)C[C@@H]32)c(O)n1 1785774190 UJGNHQWAGBWQKG-WBAXXEDZSA-N 482.474 0.224 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786558767 DTNUZGRIUCODFL-BURNTYAHSA-N 471.554 0.903 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC(N)=O)[C@H]2C1 1787412881 QJORBFPGUZQAAW-GMOHSKTFSA-N 493.605 0.882 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCCNC5=O)[C@H]3C2)cc1 1788255205 FSMHSUKDBPAYAQ-IPJJNNNSSA-N 476.537 0.990 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cccnc3)C[C@@H]21 1792146423 PYKWQJREWDOQAD-FKEBYFGASA-N 463.538 0.882 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)C(=O)C1 1792308596 SMKGIUSTYGNMQB-BZSNNMDCSA-N 477.562 0.349 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NCCC 1793257419 LFCZGQCUNYVLMI-NYUBLWNDSA-N 478.590 0.799 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C3)c(O)n1 1794491074 RCBRORIJADCKTH-JWWGGVBKSA-N 489.525 0.604 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795412266 HQUFIPYAJHREIQ-YVSFHVDLSA-N 498.602 0.208 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597447 LDWMIYSQXJVKGB-XMTFNYHQSA-N 481.594 0.134 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)ccc2F)C3)CC1 1797141194 YVWKGXSMERZKQK-XEMDLRDOSA-N 478.546 0.572 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1799354172 UUEVJKRVCGFGHO-RZFLPCETSA-N 469.579 0.425 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1799683897 SRVXISLNFMGHPI-CSHUHZATSA-N 462.478 0.744 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C[C@@H]2OCC[C@@H]21 1800763945 OZWUCACLHVWUDY-NQKDJWEYSA-N 462.547 0.904 30 20 JCED COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2 1800848239 ZYNFQPNCRNNPOE-PIKOESSRSA-N 462.609 0.227 30 20 JCED COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)cc(C#N)c1)C2 1800849436 WRAURPIJLZIZEX-ACHVPNTGSA-N 489.569 0.766 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1802844407 MGKWNBVOJWRUTE-VTQQKYQQSA-N 460.535 0.624 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1807026880 VAWRBICUTPPUJE-ORBMWFEOSA-N 483.462 0.341 30 20 JCED O=C(C/N=C/c1ccco1)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809964876 FALUUAULLJSWHO-FSJBWODESA-N 451.487 0.975 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1810248779 TWGUWCXARHFWGZ-DSLXNQLJSA-N 466.604 0.988 30 20 JCED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1823422410 UZPMBEBDTWXRGH-BHYGNILZSA-N 472.571 0.995 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828967298 JKGODPJPNXTMQH-LVXARBLLSA-N 495.580 0.445 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)[C@H](O)C1 1829691846 NXPCBOVYJYWACM-DFIYOIEZSA-N 491.585 0.474 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CNc3ccccc3C)C2)C1 1829765306 UBYAOUUCIHSJCR-HMLKYZKVSA-N 456.543 0.722 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1829770313 IUGYTMBPTCCUER-XXGSHBOYSA-N 453.499 0.491 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1829809160 SEQPHGRIYBGRRT-IUVMUOCNSA-N 489.573 0.977 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)CCOC1 1830060195 JLGVTVCNFKYUOB-PKTZIBPZSA-N 480.562 0.676 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccc3ccc([N+](=O)[O-])cc31)CCO2 1831114837 CNNGBYYTZSZXCS-QFIPXVFZSA-N 470.438 0.094 30 20 JCED Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)nc2s1 1832109565 OUXAAMIGNPJOOV-NRFANRHFSA-N 469.527 0.612 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1833315552 SYSNUXWDLCZEDM-DEOSSOPVSA-N 463.494 0.744 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n(C)n1 1833443378 GRRVUJZHEWTKPF-QHCPKHFHSA-N 460.531 0.197 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OC)c(F)c1)CCO2 1833479807 VWBCDBZNJLVBEB-XSAUMEDDSA-N 462.478 0.158 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1833565939 ZLAWVRCAYGVQKH-XMMPIXPASA-N 498.561 0.882 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834608288 HEWQRVNJEXOEKX-MHECFPHRSA-N 489.525 0.626 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)CO2)C1 1835362527 NBBQBRIMKYLCMH-HOYKHHGWSA-N 492.573 0.773 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1835674310 IPKZWYHAYQCPBP-QHCPKHFHSA-N 454.531 0.915 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)c1ccc(O)cc1 1835765671 CQKRYAHMGVFCKQ-PIBDYAPNSA-N 487.553 0.408 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835849263 NZZAPIBMGYSWNU-IVZQSRNASA-N 493.586 0.712 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835876839 RKCOEGPSSBPPEK-FPTDNZKUSA-N 475.571 0.917 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836128829 WUWGOVMJZQTSQF-IIBYNOLFSA-N 450.492 0.267 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)c(C#N)c1 1836419187 XLBOWFDVBWGCDA-DEOSSOPVSA-N 482.493 0.686 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1836680160 VOVWILIWEWDLDH-XLIONFOSSA-N 481.590 0.909 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1837405759 ZWDMZCZSQRZDBR-YADARESESA-N 481.590 0.884 30 20 JCED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c(F)c1 1837441067 PMPXLTRLBBEZAA-WUKOTQDVSA-N 463.510 0.771 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1837530280 KELRKVSSJKOGAD-OMHIIYBDSA-N 499.568 0.738 30 20 JCED COc1nc(C)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531526 OUEATEBYCREHLO-XTXAWSSWSA-N 476.530 0.998 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c(O)c1 1837531781 WRLRVEHFHQUWJI-UZXXWRCNSA-N 477.514 1.000 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn1 1837564271 FCVAWTMUHNHECN-UUVZMSSXSA-N 455.515 0.930 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837759087 PABDMOOGYBOYJT-QHCPKHFHSA-N 476.530 0.504 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn(C)c(C)c3Br)CCO2)C1 1838768256 FTKYPBOBWWTRMZ-YWZLYKJASA-N 483.363 0.599 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838798652 CABVSVSZVZHRBM-GAJHUEQPSA-N 494.545 0.706 30 20 JCED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839079295 JQZPWJGREKZVBI-PNIUZAESSA-N 489.572 0.879 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1839222871 CYVOLYVQGBTKEW-IERDGZPVSA-N 482.559 0.356 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)cc1 1839362009 SSDPXNGEZUSWOM-WIOPSUGQSA-N 463.538 0.788 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnc(N)s5)C4)C3)c2c1 1839487794 HGQFFOIXOUXZOS-NRFANRHFSA-N 467.511 0.857 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C2)C1 1839810669 LLAHWNPQOOASED-HXUWFJFHSA-N 469.947 0.098 30 20 JCED CN(C)c1c(F)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1F 1840043782 UNKUOYZPNSDZSQ-NRFANRHFSA-N 451.426 0.189 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840142593 SXZIUYODBGCRSS-TVRDVRDVSA-N 476.574 0.670 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1)c1ccc(O)cc1 1840221225 GQRFMHZZSATSQB-NTKDMRAZSA-N 467.526 0.788 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CC(N)=O)C3)C2)cc1C#N 1840762855 SWSAMUGYFNHHDD-BXKMTCNYSA-N 472.542 0.927 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1840820070 WZDHDZVJZLOAAT-XMMPIXPASA-N 476.493 0.750 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1840844715 IXCJQPPHDYFNDF-YADARESESA-N 489.573 0.715 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840906703 HOLPBZUPLVLIMH-YADARESESA-N 487.557 0.392 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1840909365 RZROYQFZQZIZJA-NTUVXCKYSA-N 478.590 0.502 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)[C@@H]2CNC(=O)C2)C3)CC1 1845137846 OPSFTNWXWYQIDD-INIZCTEOSA-N 459.547 0.867 30 20 JCED C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 19314418 CDOHKOPEPVQZNY-QHCPKHFHSA-N 499.524 0.997 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(Cl)cc2)CC1 502039499 BTBVFNZCLFZAHI-UHFFFAOYSA-N 482.997 0.953 30 20 JCED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 511504739 IRBCWDSNCWGWHA-UHFFFAOYSA-N 485.570 0.557 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C1CC1 514491139 RIYRLPJMHSGLGN-UHFFFAOYSA-N 460.506 0.474 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)c2OC)c1=O 523742987 OXSROTILTDVKBN-UHFFFAOYSA-N 473.551 0.325 30 20 JCED CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 609358920 JVXMDXWFJCPJCI-UHFFFAOYSA-N 454.531 0.999 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 614169297 OTHZQQIDSXFZOS-UHFFFAOYSA-N 456.524 0.653 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 725764290 NAFTWYGFNQTPDX-UHFFFAOYSA-N 458.584 0.793 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)CC1 728573509 PQQCKAPGYQQBFR-UHFFFAOYSA-N 477.587 0.241 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1CCOC 916200954 XHNHPWGYMVFNEO-UHFFFAOYSA-N 494.367 0.838 30 20 JCED C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=Cc3nc4c(c(O)nc(=O)n4C)n3C)nc2)C1 920368307 MLUMHPXGZIYAPA-BETUJISGSA-N 474.547 0.880 30 20 JCED C[C@@H]1C[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCO1 1304942984 JIPZAZQVVQRCCJ-JEWRLFTDSA-N 456.544 0.868 30 20 JCED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1=O 1313922657 VDCMGJJCMLFPDP-UHFFFAOYSA-N 487.586 0.823 30 20 JCED CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1505121393 MBXCWFIMTFRJMC-GOSISDBHSA-N 478.600 0.866 30 20 JCED CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1508215853 LVQDFVVHEZNGHK-UHFFFAOYSA-N 472.571 0.815 30 20 JCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN(CCO)CCN1CCOCC1)CCCC2 1615790301 XDXZIAMUJIENOV-IBGZPJMESA-N 459.591 0.983 30 20 JCED COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1711479411 PCGWFXMCUVJRHK-UHFFFAOYSA-N 483.529 0.866 30 20 JCED COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c(F)c1 1711855292 VXFWZJHMAJXCSX-AEFFLSMTSA-N 480.522 0.536 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1712712712 RLBOFKZOIIEFAK-UHFFFAOYSA-N 452.562 0.638 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722556096 NTWALCFQSDGGBM-OAHLLOKOSA-N 458.972 0.507 30 20 JCED CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1741038185 NFGRMKTVGSGGBP-UHFFFAOYSA-N 467.530 0.646 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1778288556 AOCJTLBYZPZWOM-GAJHUEQPSA-N 463.531 0.942 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779536057 XXTRLLIVZXFAJD-GAJHUEQPSA-N 487.513 0.535 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729536 DXZSPOSNPBTETA-SYGXVLRESA-N 471.558 0.742 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782845717 UINJGDFVVYRJQK-VHXBEAGISA-N 481.475 0.832 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782851390 ZMFWWWSFPXJDQA-XXBNENTESA-N 487.513 0.162 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1783146307 AOSYGOFMBUFZBP-HTAPYJJXSA-N 450.536 0.518 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1783315033 PSZMBESJPMTLPX-UZUQRXQVSA-N 462.547 0.213 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1783647278 SCVREAXYXDTDBK-YRAONVGVSA-N 477.583 0.907 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)NC(=O)OC(C)(C)C 1783784186 NGDNFYGTCUZDLB-IVZQSRNASA-N 466.535 0.822 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783925023 YPJAGHJQBTXSCX-ZHRRBRCNSA-N 467.567 0.734 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)NC(=O)OC(C)(C)C 1785303723 HHBZXXPXZZNQDW-HKARXFIJSA-N 481.594 0.269 30 20 JCED Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)c(=O)nc1O 1785352633 BVRKLVQORRAGQQ-QHCPKHFHSA-N 451.483 0.467 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1785573739 ZITRURVDICKQCO-MBSDFSHPSA-N 458.515 0.680 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1785576954 RMDHOCWYNWAFGY-ZYLNGJIFSA-N 491.633 0.369 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786891203 UEXZIULSZOEIMO-VMXHOPILSA-N 495.621 0.418 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787150892 HPWXSBHIQCIJEV-XEZPLFJOSA-N 454.574 0.351 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)C[C@@H]32)c(C(F)(F)F)n1 1787197720 AWNQMXQGGJRQLZ-CQDKDKBSSA-N 494.430 0.117 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnc[nH]3)[C@H]2C1 1787419595 MYPBACYIZGMJBE-KANFNMMFSA-N 459.547 0.849 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1788601292 RJQYCBCISPLAJZ-VEVHIGKUSA-N 458.563 0.586 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)no1 1788658945 CYAWKYILBVIRAZ-YNJQCJAMSA-N 477.518 0.820 30 20 JCED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078052 GFFYADRCPYVWOW-NUTKFTJISA-N 483.930 0.393 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21)C(C)(C)S 1791191991 HMYAFPMHUUOLHU-YRBFXIGRSA-N 486.635 0.833 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791351603 WEMDQPADONAFKE-SPOLIRPYSA-N 476.574 0.409 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1792145080 GUOBIHDQXGNWLZ-QRFRQXIXSA-N 468.470 0.722 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792560122 BXUHXFHONJJLSF-IIZPIQPGSA-N 486.569 0.966 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1793344458 PRMDAPJSMXVQIE-FMSGJZPZSA-N 472.283 0.256 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795285239 LKEHRCQQXDTKEJ-WXQHOCMDSA-N 450.536 0.324 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H](N)C(N)=O 1796083563 BJVAECGVOVEBLH-APFOCMHESA-N 463.579 0.687 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1797311146 LNXWHVVPVVMJPA-DURIQHOJSA-N 463.575 0.997 30 20 JCED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)nc2nccn12 1797816612 ONSDVTCPVIMXBV-PXLRATQFSA-N 456.503 0.770 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2)c1ccccc1 1797873377 KATZHXQWTYOBBA-WEMPKCCASA-N 452.511 0.325 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cc(=O)nc2sccn12 1798415244 UGLUMYKGPMXGKD-NWLQOIJNSA-N 475.527 0.488 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)C1 1799200331 TXQDJOADABNVGL-XQAOUMJTSA-N 490.557 0.516 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)CCOC1 1799335080 KHWBMWMCZMWINU-AIDSWVIKSA-N 493.605 0.542 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)n1 1799884316 REBFESMXOPNKOW-UPHUGPLXSA-N 489.536 0.938 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)[C@@H](C)S)C3)C2 1800326516 PPNBZCGVWRKWLQ-WVCIDPQESA-N 450.561 0.530 30 20 JCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1800543099 NYPVZCBQINWBSW-JFILPPLUSA-N 452.458 0.794 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@H]1c1cccnc1 1803552484 GESBBBCXYLLTLU-BLIXFSHQSA-N 467.482 0.896 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1 1808362233 BAPUTZCOVAKMBD-VKRNSVOSSA-N 453.459 0.891 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1810331444 ONOHXEBNTSEQJM-BBTUJRGHSA-N 467.526 0.384 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812873785 OVCOZISYEBSLSV-QKLQHJQFSA-N 474.514 0.451 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825674391 BIGGBISTIWOSRY-BZNIZROVSA-N 494.526 0.600 30 20 JCED N#Cc1ccc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)[C@@H](N)CN)C3)C2)cc1 1829195288 CKPVQEGELUCLGL-NVQXNPDNSA-N 490.564 0.910 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1829267307 TXBPUAORVLYDJZ-KOSHJBKYSA-N 469.542 0.779 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C3)C2)C1 1829673523 NLGUMRUFKOQUIF-KOSHJBKYSA-N 495.573 0.865 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3cnn4C)C2)C1 1829766356 UQVJMADAZNXKRP-WEHRJKGCSA-N 467.526 0.502 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)C1 1829768825 JDSXUNWWRWIBLR-SULQKFSGSA-N 494.589 0.557 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cccc(O)c3)C2)C1 1829771150 ISGXIMYLSNNZGH-UCCLIFSUSA-N 455.511 0.720 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)c(F)c3)C2)C1 1829773149 CATCPJPPBITORT-WNWNSBFKSA-N 475.517 0.692 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1830038420 HMUUNSHWWPKUOU-HSZRJFAPSA-N 457.531 0.218 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830184235 JHCHKIAYHVUVFL-CVDCTZTESA-N 480.583 0.733 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1830300460 OQAIEUKIWJOMID-YGKZAACZSA-N 469.579 0.929 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC[C@@H](C(=O)OCC)C1)CCO2 1830699466 VAKACXKUUQNECQ-CHEWMSOQSA-N 491.585 0.671 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1831998059 CECKDAHLFSGUHX-ARBHZFCZSA-N 467.563 0.683 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1831999654 ACKFINSSIQOJOR-HYFFOGBASA-N 468.551 0.047 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(-c4ccccn4)nc3)CCO2)C1 1833291661 ILZYCSMOIUBWAZ-VWLOTQADSA-N 493.568 0.890 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1833478044 ZJAILSUGPZTBKT-OXQOHEQNSA-N 468.595 0.992 30 20 JCED COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1F 1833485163 ZVKPCTBHBGHVAH-UZLDXKMBSA-N 480.493 0.828 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCS(C)(=O)=O)C3)C2)c(O)n1 1833702401 UOOUKYQVABJLLG-QFIPXVFZSA-N 481.571 0.411 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)COc3cccnc3)CC2)CC1 1833756956 RPBVKLNJYUIHFY-WAYWQWQTSA-N 455.559 0.890 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)nn1C 1834120815 VBFUQMITDYSHJZ-QHCPKHFHSA-N 463.498 0.860 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834794096 QUTYAIIFJXJVRZ-GOSISDBHSA-N 461.592 0.557 30 20 JCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834913407 MVIQOLBLYONOFP-LBPRGKRZSA-N 455.606 0.342 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1835312123 LCNNNLOMEOXWLA-GGUMNFRJSA-N 494.589 0.581 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)nc2ccccc21 1835341971 NDWZXYYBYAMTTO-QHCPKHFHSA-N 451.483 0.307 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c(C#N)c1 1835513990 UDVWWJYBGSBFDY-OAQYLSRUSA-N 461.544 0.192 30 20 JCED C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1835532631 BUOYRATVJWQYKH-MCFFVMPBSA-N 488.651 0.639 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)N4CCOCC4)CC3)CC2)c1 1835766366 GIYAEEVSCQOARE-RUZDIDTESA-N 485.585 0.403 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837319451 UACZZDBUVZBJPJ-CXAGYDPISA-N 453.414 0.349 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837528269 CPHIFZRGLROCFJ-OEEWFINQSA-N 479.534 0.129 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837529364 RWXKRTGEFZJUTR-YRGMOVRHSA-N 472.502 0.328 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1837562101 CTCFDYAVGTVOOH-NYNQOQISSA-N 468.470 0.217 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1)c1ccccc1 1837613004 ROALUOXQPWXBDN-STWLZBDKSA-N 470.570 0.233 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774013 HXIDBSBBAOSJMS-UHFFFAOYSA-N 451.520 0.988 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)[C@H]1SC(=N)NC1=O 1838906840 IQMHMIVKSRBGBJ-WTBBCNCBSA-N 471.539 0.431 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)N1CCN(C)CC1 1839102807 VIQUUQCHLMETNH-QINKANGISA-N 490.626 0.579 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485888 AXVGBPVSYDMCCJ-IVZQSRNASA-N 489.554 0.185 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cn6ncccc6n5)C4)C3)c2c1 1839488228 FOGLNCQXMATEAW-DEOSSOPVSA-N 486.492 0.861 30 20 JCED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)CC1 1839489287 WHRKLNXQRQIACY-JOCHJYFZSA-N 467.482 0.458 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccnc6c5OCO6)C4)C3)c2c1 1839489349 YACLNNKPJDMMMU-DEOSSOPVSA-N 490.476 0.942 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3OC[C@@H]4CCN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1839810529 BPHJEHVKYWMJAS-UVPKRVSESA-N 491.585 0.738 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840158546 NANZMAJDEDTOFX-UZLBHIALSA-N 456.586 0.543 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1840167993 ZSLKCLLSIHENGN-WZONZLPQSA-N 467.563 0.786 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(c4cc(OC)ncn4)CC3)C2)C1 1840171494 IHAXPIXSZXKEDL-HSZRJFAPSA-N 459.547 0.734 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CCO3)C1 1840218448 GVJBYUSUVJLQNC-RPWUZVMVSA-N 479.574 0.781 30 20 JCED O=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CCN1 1840229893 RDZDMOJEZRAGIS-LINQRHESSA-N 461.540 0.470 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1840819116 PIRGSSUKIUDQCV-OAQYLSRUSA-N 457.512 0.746 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1840845487 YZTHDUYBABJRFA-URXFXBBRSA-N 459.518 0.743 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840906701 HOLPBZUPLVLIMH-DVECYGJZSA-N 487.557 0.392 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CCCC34CN(C(=O)C(C)(C)NCCC#N)C4)csc2n(C)c1=O 1845013933 BOYRWOGHDIWDEG-UHFFFAOYSA-N 486.598 0.326 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2[C@@H](O)CCN2C(=O)OCc2ccccc2)C1 1846234887 SNSCOTXLNVPLCX-PXNSSMCTSA-N 455.467 0.050 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)OC)C1 1846513028 TVTXBSVQUOTZNZ-HNNXBMFYSA-N 497.549 0.351 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847108512 WROYUWHDPLGIDA-SFHVURJKSA-N 484.557 0.866 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 15527679 DFQJVSCKVKIJHY-UHFFFAOYSA-N 483.462 0.596 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 16776117 HCEYQISBDFZQNG-UHFFFAOYSA-N 462.553 0.671 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 18039166 GZKHXGTUNAYBRF-UHFFFAOYSA-N 467.507 0.757 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(NC(C)=O)c1 502054818 DVDGWCJEFNSDHR-AWEZNQCLSA-N 480.550 0.245 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)CC2)cc1 512438913 LJFLBSGEOOVLFV-FVCZOJIISA-N 454.508 0.198 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1C1CCN(C)CC1 516375798 MNVBOQDVSQYJIN-UHFFFAOYSA-N 486.594 0.459 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(OC)nc1 550137693 KDDDPZDMQNXASQ-UHFFFAOYSA-N 480.546 0.967 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCNS(C)(=O)=O 589160131 BXJLKKZBOMQTCY-ZDUSSCGKSA-N 451.545 0.716 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828858 NSMJCMVZBNGYGJ-UHFFFAOYSA-N 489.557 0.986 30 20 JCED CS(=O)(=O)N1CCN(CCNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 608923267 LXPAYNMGIGJKDG-UHFFFAOYSA-N 477.547 0.215 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc1F 914659422 RQJCEMSKXGHXSB-JSGCOSHPSA-N 462.521 0.481 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 918277600 FLACDAHKYJKMCL-GBPUDXIESA-N 470.573 0.521 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)NCCCOC(C)C)cc2)CC1 919664607 JGGNHGRRMNJQNQ-HXUWFJFHSA-N 478.571 0.793 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc4c(c3)OC(F)(F)O4)c2=O)cn1 920398358 FEQDWYBOTPCJJZ-UHFFFAOYSA-N 471.445 0.736 30 20 JCED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 1185908883 NWXIMOGGTMAVGE-UHFFFAOYSA-N 451.368 0.176 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1 1299302550 WDKUKXVDVTWZHM-UHFFFAOYSA-N 473.603 0.915 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1300903675 PKRYNIRREUXLCC-KRWDZBQOSA-N 472.571 0.983 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCCC1=O 1303866805 LFICGZDUQBRDNB-HZPDHXFCSA-N 453.569 0.410 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359084543 LBVQZBBRCFTKLK-HUUCEWRRSA-N 488.408 0.916 30 20 JCED CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1503736555 UGZCTQSAIQLTLB-QFIPXVFZSA-N 487.586 0.727 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)CCO1 1503773266 RLOCRXQIOCXUET-YLJYHZDGSA-N 453.547 0.736 30 20 JCED CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1540938190 VYCCAEFSIUNAQY-XMSQKQJNSA-N 472.571 0.671 30 20 JCED COC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)OC 1555257052 VATHGVIQGDWLPT-DLBZAZTESA-N 456.569 0.402 30 20 JCED COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1621629387 SYQOFUARLZHHLO-QZTJIDSGSA-N 455.558 0.926 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1696825347 OYFYAKONIWAEIO-MRXNPFEDSA-N 466.589 0.627 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1 1722478499 XIHCXOGNOHFUSA-NSHDSACASA-N 470.415 0.810 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(OC)n(C)n4)C3)C2)c(C#N)c1 1780434665 FFHHMZXQCRGIKP-QHCPKHFHSA-N 453.499 0.995 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1781165930 HUBNTUPDZADMMS-FDDCHVKYSA-N 499.630 0.948 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1781166323 KGUOJBCXJIKEGR-DGGJZMOXSA-N 478.546 0.622 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1781356582 ZZNDSKKNJDDCGR-AOMKIAJQSA-N 450.536 0.786 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2CC2)C3)N1 1781600794 GGJQXKLYRNFTCT-IPRDPGLQSA-N 488.610 0.094 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783152781 VUKNHMQMTKYCEU-ZHRRBRCNSA-N 452.552 0.941 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC(=O)NC)C2 1783268231 MFHJIWWIKHRVFM-YGKZAACZSA-N 464.563 0.553 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1783268330 HAIGRKLQOAOTSX-MNFWLRKXSA-N 493.605 0.010 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1783682826 YMCOMPNAYIBZOQ-GVFUYMABSA-N 481.546 0.225 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnccn3)[C@H]2C1 1784249378 MGNRRCWTRAYLTC-LEAZDLGRSA-N 471.558 0.915 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1785306169 JPNPVKWPKYKXRI-DGGJZMOXSA-N 482.578 0.739 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(N)=O)CCO2 1785574988 WSCGGNUUSUPLNZ-VVBPWWLESA-N 465.551 0.180 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)n(C)c(=O)n4C)[C@H]2C1 1787959165 NNNIHMYYUOYYQR-NKMKZGIRSA-N 454.527 0.509 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1791222073 VBTWJOPDOZXVTF-NXOAAHMSSA-N 486.591 0.208 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1792224181 ZUMIHVRDJAETAP-QAETUUGQSA-N 478.546 0.726 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOC)C[C@@H]21 1792257591 GCEHAVZQLVUVFH-VJANTYMQSA-N 467.563 0.546 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1793359020 IIROQOHJWYAHNU-AMVTXUCVSA-N 490.582 0.022 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1793380629 AJNYZJRZOGLZOJ-MNDZRTMASA-N 488.614 0.724 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C 1793389491 VPFJGGZKZRFTMM-QEOTZNIISA-N 487.619 0.987 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796571263 HTOKWZLJEYQTFK-XGHSUDEFSA-N 453.484 0.565 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2 1797709361 BOGZRXBZEDOYES-FSNPWBFUSA-N 497.589 0.606 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797780976 LHGMEAZECMABKR-AJYBTWMASA-N 479.574 0.160 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1)NC(=O)OC(C)(C)C 1797810774 ZMGUHLIVWWXBES-AFULGHPHSA-N 496.605 0.086 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798485312 KQPSULRQWAIEEF-STEXWYFWSA-N 466.579 0.745 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 1798691322 JXKFREWCGQSUJU-UFZBXBPUSA-N 499.568 0.973 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1799390209 HXIINJHZKCOEQK-SCNOPHJPSA-N 452.533 0.489 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C3)c1 1799802668 HLFRYVCHQJJNLH-JTJHWIPRSA-N 499.568 0.839 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N(C)CC 1800170410 KGTHYPNRNAJLBU-ZSXDVEMLSA-N 450.580 0.833 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1noc3c1C[C@@H](NC(=O)OC(C)(C)C)CC3)C2 1800451797 JOMMZKVZRVZEHW-YGTYGHESSA-N 458.515 0.893 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773883 VVTHGYSNNLRJAN-VWFIUDSGSA-N 486.525 0.195 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800906767 CTXOAKULAZAQEP-BTYMGIQYSA-N 486.635 0.702 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1800955710 QJCOYPYWCAXZKZ-PTIYNHDHSA-N 463.531 0.860 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)n2cncn2)C3)N(C(=O)OC(C)(C)C)C1 1801103682 WHGRMSXDOURXNA-ZSXDVEMLSA-N 474.562 0.994 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803918893 RPGBQNCROMGVIQ-AVRDEDQJSA-N 466.542 0.684 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)cc1 1804086750 AOWADEBUWWPRAH-CVDCTZTESA-N 460.494 0.754 30 20 JCED O=C(NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806084020 SFESFMSOXSROEP-XODNQNILSA-N 478.557 0.813 30 20 JCED CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)CC1 1809600817 JDVNYYGOTHLUJL-IFMALSPDSA-N 455.607 0.617 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811185127 QXPRLONYXCEBAT-LPHOPBHVSA-N 464.530 0.572 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1812712248 KFKJIXPGRVGWLT-RDGATRHJSA-N 465.554 0.488 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3CCc4nc(NC(=O)CC[C@@H](N)C(N)=O)sc4C3)c2c1 1815066759 NEMDEENKIKKVHO-DGCLKSJQSA-N 466.527 0.710 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815669802 URSYLOUQIKOYAK-RDJZCZTQSA-N 451.549 0.171 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819846670 RIQISQXBBLHWPS-SCLBCKFNSA-N 464.544 0.818 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CC2 1825666844 DLSXNUKONXFPNC-SNVBAGLBSA-N 477.462 0.341 30 20 JCED C#CCCCC(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990390 OLUWGCVCHMMYPB-QFQXNSOFSA-N 497.596 0.835 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCN2C(=O)OCc2ccccc2)C1 1829014286 UDGXJBTXOHJKNQ-QHCPKHFHSA-N 480.529 0.675 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)[C@@H](N)CN)CCN3C(=O)OCc3ccccc3)C2)CCC1 1829051337 YETOQWWDVAATFL-CYFREDJKSA-N 468.558 0.418 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)c1 1830050874 WXFLUDUACNBIAC-SBUREZEXSA-N 457.531 0.655 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830464941 YLOWOUPYOXHHHG-QFIPXVFZSA-N 463.556 0.382 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209676 SQPJCDCCRSWAHI-QFIPXVFZSA-N 461.540 0.110 30 20 JCED COCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(OC)cc4C#N)C3)C2)CC1 1831379007 LCUHRORSKAJNFI-DEOSSOPVSA-N 457.527 0.992 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1831484853 HCDCSSKKFNJDIC-RXVVDRJESA-N 452.577 0.545 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccn(C)c2=O)CCO3)c1 1831887855 JHNRBESRYKGUKO-XMMPIXPASA-N 466.494 0.649 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832424595 HOAOSJURQOYCEF-QHCPKHFHSA-N 465.547 0.355 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832732473 WVHVCEUMKUBNPX-RUZDIDTESA-N 493.520 0.218 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)CC2)CC1 1833075176 SYJUQWDBFGVDPJ-FPLPWBNLSA-N 498.628 0.717 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)cc1 1833304461 KOOZHVFXLAMNGW-RUZDIDTESA-N 477.521 0.755 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833397284 YVEVBUILNLOJES-HXUWFJFHSA-N 450.517 0.105 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(C)n3)CCO2)C1 1834124919 KRAYJAQNVOWOJP-HOYKHHGWSA-N 489.573 0.715 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768799 PNSWFYAQJGBIMF-WQTXXOFMSA-N 466.535 0.117 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1835127089 LCNNNLOMEOXWLA-LLJLJFOGSA-N 494.589 0.581 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C)CCO2 1835149335 XSKBQQGPIOPMHA-XXXZYALBSA-N 457.527 0.689 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835290361 WFHNAIUBUAMCDE-NDYBPRIYSA-N 461.515 0.705 30 20 JCED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1835741607 HGNDKABWILQHSY-MRXNPFEDSA-N 454.641 0.843 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(OCCCO)cc3)CC2)CC1 1836114010 TUMWAEGZFBNPSK-UHFFFAOYSA-N 457.527 0.721 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836128831 WUWGOVMJZQTSQF-KKSFZXQISA-N 450.492 0.267 30 20 JCED O=C(Cn1cnnn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C2)C1 1836149384 VSOGKCKTUYEGLY-SANMLTNESA-N 486.532 0.843 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836510980 QRJFKRQAOWSUNQ-NRFANRHFSA-N 470.442 0.339 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)cc1 1836775810 DTFCSZGUBPFAAA-VWLOTQADSA-N 492.536 0.201 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837440086 CAAQVKJHOAIONU-BMZXHMDVSA-N 478.590 0.894 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(NC(C)=O)o1)CCO2 1837453433 KKSZOICNSHRTOJ-QFIPXVFZSA-N 463.487 0.817 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1837567291 CBFACDLAKDAUDZ-GIYVUFBJSA-N 455.515 0.683 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838584984 QRBIBUHCRAEXOX-JOCHJYFZSA-N 475.571 0.121 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)cc1 1838950167 GBRCCPARFOYIQJ-QFIPXVFZSA-N 451.439 0.430 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839082776 PVXRIOQJVVBVHM-KJPFEZTDSA-N 475.590 0.316 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138961 SLVFAYYMMAYCOT-WZONZLPQSA-N 485.578 0.575 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCOCCOCCOCCOC)CCO3)C2)C1 1839219956 NWXHMSRNYUSNLC-XMMPIXPASA-N 484.590 0.495 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839223200 OXAUGNNVTBKRLS-VGOFRKELSA-N 461.519 0.069 30 20 JCED CC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n[nH]1 1839487413 HPXJYNRFMQVBIW-QHCPKHFHSA-N 477.481 0.744 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1839655914 WOJNGAXRDWHWCV-UZUQRXQVSA-N 473.599 0.868 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)n1ccnn1 1839707788 GHFCVJHQPMXHIN-HNDWEXJHSA-N 459.528 0.796 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1840176445 JKXIHGASIQEEIE-VGOFRKELSA-N 455.552 0.683 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840945636 XYJDQYFOYJMQAU-JTSKRJEESA-N 483.537 0.440 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OCC)C1 1844159101 JVZJSGVFYKNUBA-IAGOWNOFSA-N 480.562 0.951 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1844288511 DOIIINSVGFUPCW-ZWKOTPCHSA-N 479.530 0.601 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)c4cc(=O)nc5cccnn45)C3)c2c1 1844674407 ZAYBQPSAXKBKMG-UHFFFAOYSA-N 454.450 0.968 30 20 JCED CCc1ccccc1-n1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccnn2C)c1=O 502064477 TZVDKRUDXQVGEH-GOSISDBHSA-N 463.563 0.993 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)CC1 508381292 XKSWZILLSPTZBL-ZWKOTPCHSA-N 489.554 0.325 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccccc3-n3ccnn3)CC2)cc1 520085005 MKXMTBREEXYNIZ-UHFFFAOYSA-N 465.495 0.611 30 20 JCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNS(=O)(=O)c1ccc(Br)cc1 550247859 HDCKMYBCZLMGHB-UHFFFAOYSA-N 455.338 0.996 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCO3)c1=O 603986605 BFECQDUFIFSCCB-UHFFFAOYSA-N 471.535 0.427 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434351 CARDONIMLOQOOX-UHFFFAOYSA-N 486.506 0.361 30 20 JCED COc1ccc(OC)c(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cscn3)c2=O)c1 608826910 SJHNZUSNKLDKFK-UHFFFAOYSA-N 484.559 0.735 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CCc3cccnc3)c2=O)o1 609038263 KNUFTCVLEYDCBA-UHFFFAOYSA-N 493.589 0.400 30 20 JCED COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 779355165 CNADFJGSNFLHEQ-ZFWWWQNUSA-N 468.532 0.544 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1 811834756 YZTSSHFSFWDWFQ-AWEZNQCLSA-N 491.547 0.380 30 20 JCED Cn1ccnc1[C@](O)(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 818650508 FKEDBRZHCPDZFT-GOSISDBHSA-N 471.461 0.965 30 20 JCED Cc1cc(NC(=O)CSCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)no1 915375309 JXHKMFZWBBOYDA-UHFFFAOYSA-N 462.488 0.715 30 20 JCED CN(C)C(=O)Cn1cc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)nn1 920641907 QIZOWHOAGFSIMW-OAHLLOKOSA-N 483.529 0.893 30 20 JCED CN(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1298032689 PEZHLHKZHRLDOG-JTDSTZFVSA-N 455.560 0.393 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(CS(C)(=O)=O)CC1 1509683765 KYQPDTNPLBBHLB-UHFFFAOYSA-N 486.602 0.834 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1611712141 YYLSZRIJLHLYRP-GDBMZVCRSA-N 474.522 0.990 30 20 JCED N#C[C@@H]1CN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=O)NCC(F)F)CCO1 1620357152 SDZNHXUZURZJSQ-LJQANCHMSA-N 488.543 0.753 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1=O 1698097756 PXUBYYOAQBWZSP-XIFFEERXSA-N 472.571 0.935 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(N(C)C)CCSC1 1723951521 AJSUCWVRBJDDSV-XAUMDUMWSA-N 482.680 0.502 30 20 JCED C[C@@H]1C[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCO1 1726470797 KAXWCZJWUBCQKZ-YFHUEUNASA-N 451.597 0.880 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1746461134 YYJIJMIBJRPSPI-ABSDTBQOSA-N 470.619 0.604 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1747665303 PFWPHDYAXPODSR-UHFFFAOYSA-N 476.559 0.458 30 20 JCED C[C@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)NC(=O)OC(C)(C)C 1778048826 BGWZJZUSKGZEFE-XCGNWRKASA-N 451.520 0.892 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779200939 RHDJWMZUISWPNN-PCHRSSRASA-N 470.523 0.094 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](S)C(C)C)C2 1779400832 UNEIZPQVKMVPJL-XKGFGPFHSA-N 458.577 0.950 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781172857 GUJLKNHVNHTXBT-DENIHFKCSA-N 460.487 0.004 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781859685 TXRIRDVLLAFHIR-NPJIFZGSSA-N 453.540 0.131 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1782468711 KFXXMJYSSYRUBO-ZBNTXBBCSA-N 475.590 0.544 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782658879 FMLUAFAHRSANRT-SBUREZEXSA-N 475.546 0.543 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@@]3(CN(C(=O)[C@H](C)S)CCO3)C1)C2 1782856278 PKLFWSSWOKAWBJ-GXZWQRSESA-N 450.561 0.770 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CNC4=O)[C@H]3C2)c(C(F)(F)F)n1 1784950143 KQGUWOBQFAULIM-CQDKDKBSSA-N 494.430 0.117 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CC(=O)NC4=O)[C@H]3C2)cc(C(F)(F)F)c1 1785031711 QFWVVMYYIWBNEF-JQFCIGGWSA-N 493.442 0.722 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)c(O)n1 1786974523 JEDHPKMRBQLGAO-FNHZYXHNSA-N 493.524 0.544 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cncn3)[C@H]2C1)C(C)(C)S 1787090489 SSCFAZCAXKLDHD-NBOOPKSLSA-N 496.634 0.860 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnn3)[C@H]2C1 1787126786 PGVVTOPVDMZJEZ-XSLAGTTESA-N 460.535 0.174 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4nc(N5CCOCC5)ccc34)[C@H]2C1 1787178413 KYJFARIXDCLYIZ-OVWQWFNUSA-N 474.587 0.478 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC(N)=O)[C@H]2C1 1787405776 LKDJYVCJOWSNQS-JCECYMMASA-N 481.594 0.882 30 20 JCED COC(=O)C12CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=N/O[C@@H]5CCCCO5)[C@H]4C3)(C1)C2 1788660694 GQDTZUZEVPORLH-RIMNCLFASA-N 463.531 0.838 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1792258423 CUGSNDCZMMOOLG-GWOIBFRYSA-N 495.573 0.499 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1792893912 MPJJZZHSESNECP-KBSGVYECSA-N 469.560 0.375 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)[C@@H](O)C1 1793257584 MHZHJHAFSWMZDM-KYHREEPGSA-N 461.559 0.607 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(=O)(=O)CC)c1ccc(O)cc1 1793318336 OSEIMOHAFCKUFX-SLWLNILOSA-N 491.610 0.807 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O 1794362141 MPTNRPSBDUGMPD-YYAJDYIMSA-N 474.514 0.205 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795582845 BJBHAEVQHPDYMR-UYTYNIKBSA-N 454.568 0.409 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ncccc12 1796278155 OFJRTZCQWCULLA-YNVMFWSZSA-N 482.541 0.849 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCCO3)c(C#N)c1 1797436947 QQNNNMTUOYHDMY-FEJSZKPUSA-N 465.510 0.992 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1 1799055301 KZUZWVDUASVXAL-PERZLDATSA-N 496.612 0.895 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1799395347 MZQWWQQBPUTMQD-ZBLLQYKHSA-N 482.578 0.605 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CSc3nc[nH]n3)C4)c2c1 1799886178 LQWGSHGMUQLNRZ-FVCICTRLSA-N 452.500 0.548 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1800945070 SCAJQFUTEQOLPI-DFGXFYAUSA-N 473.592 0.480 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801030966 AKRFTXHCKYJCTL-HLPPOEQASA-N 492.495 0.724 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1802127668 RMNVOQAHKXUFND-FQLMCAECSA-N 473.473 0.603 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)NC(=O)c2cnccn2)[C@@H]1c1cccnc1 1810437486 UVMOYYGZHGNSMA-DIJFTKHXSA-N 464.526 0.734 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825660693 RRULNTLSTMPTIW-CQSZACIVSA-N 482.518 0.924 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=N)N)C2)C1 1828514083 HXDAPXZSRBVONR-HSZRJFAPSA-N 469.546 0.471 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829132840 GLXROMHYLZANGW-RDGATRHJSA-N 499.568 0.393 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cc3cncnc3)C2)C1 1829330554 JVPNYDFHLQXIKX-VWLOTQADSA-N 491.504 0.559 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829520026 UAVBCAVLRSUBAW-KRMBDEGVSA-N 467.910 0.729 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]13COC[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1829846655 ZZILJCUSUAUMSD-GLYQVZKVSA-N 479.574 0.902 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CN5CCCC5)CCO4)C3)c2c1 1829878287 ZAPFCASTVWZZTK-HSZRJFAPSA-N 452.515 0.600 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468160 FWUUBUPFRGBZRV-PGRDOPGGSA-N 462.934 0.595 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831175025 SQRYAKHBAMFGTC-HOYKHHGWSA-N 456.543 0.862 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831330966 YIXYSBQKSICDHC-KSFYIVLOSA-N 496.561 0.024 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1831396283 ITWJBJLVAFMCHW-SBUREZEXSA-N 453.499 0.580 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831462641 CJSQYUPZBHRCMZ-OPAMFIHVSA-N 481.546 0.377 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1)c1ccccc1 1831570821 LUUSVYLVJXBSKP-SKPFHBQLSA-N 455.511 0.748 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1832110710 VRCOVXWCWYDPMV-DEOSSOPVSA-N 491.585 0.618 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)on1 1832568746 PXBCNWMNUXVOHE-HFSPCEDCSA-N 450.492 0.511 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C(=O)c3cccn3C)CC2)CC1 1833076175 DSLSURWWDNJLBK-SREVYHEPSA-N 455.559 0.638 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)ccc1F 1833276629 XUJSGSVYWQFTRC-HSZRJFAPSA-N 454.458 0.643 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](S)C(C)C)CC2)CC1 1833488431 DNHAOEIZJFIBJM-MAUKXSAKSA-N 462.682 0.840 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)c1 1833495917 AOVDZWUZZOHBGU-JOCHJYFZSA-N 451.439 0.430 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102732 ZMXGQZGUXXXFCM-VWLOTQADSA-N 474.554 0.564 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835365663 PJZLLMUMTLTVHF-VGSWGCGISA-N 466.535 0.382 30 20 JCED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836320678 JDENPYFUEVJNQO-NRFANRHFSA-N 497.474 0.910 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1836859525 LXYRFHJUQUUUJO-RKVPGOIHSA-N 464.588 0.826 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1837000606 TWUVJOSGXPLLAR-KBVBPZEESA-N 471.514 0.933 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)C3)C2)C1 1837391527 SCHVQCHIJUSZKF-ORQYLMBXSA-N 452.548 0.605 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1)C(=O)O 1837428807 GSFMINGKTSEFAR-XMSQKQJNSA-N 467.639 0.557 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1837495709 AAGKVHPJANTAPY-OFNKIYASSA-N 466.531 0.706 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837640088 BVMBUDODMQVOGJ-CYFREDJKSA-N 466.542 0.875 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837882283 VIBQMLGFAAUSFD-SFHVURJKSA-N 452.552 0.087 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(O)nc5)CCO4)C3)c2c1 1838652123 PSAHRSQFEAIJKI-QHCPKHFHSA-N 462.466 0.919 30 20 JCED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1838735330 INLNQYMMNBHNMJ-JCGIZDLHSA-N 498.671 0.483 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CC2)CC1 1838774229 RVBKXJNQSHRCTD-UHFFFAOYSA-N 479.489 0.816 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1839225502 LAMYDKDCLGJAOZ-NPMXOYFQSA-N 472.498 0.692 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839362693 IQACFSZLVYFHTR-XMMPIXPASA-N 450.495 0.835 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839379120 UMTXIOSBXJXWQS-WZONZLPQSA-N 455.515 0.928 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839384784 QQIIIMJKJPEUJY-BXTJHSDWSA-N 461.581 0.240 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)c1 1839422194 HTLSREDHEOJRQN-QHCPKHFHSA-N 458.490 0.780 30 20 JCED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488098 XAFWPEYRYQRWQA-JOCHJYFZSA-N 465.470 0.697 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34CCO[C@@H]3CCN(C(=O)OC(C)(C)C)C4)C2)C1 1839810712 MOBGZVXTKADUIJ-DQMJNTIXSA-N 477.558 0.492 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)cc(C(F)(F)F)c1 1839865148 KLDHSEYNQGDFTJ-FQEVSTJZSA-N 468.432 0.913 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840059556 IRYJEIVUZYNEPV-SAHWJRBASA-N 478.546 0.117 30 20 JCED COCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110995 QAEGADWXYURFBS-IERDGZPVSA-N 475.608 0.691 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(OC)c1F)CCO2 1840792098 UEWVMOZPMYSPBQ-XBKFQHLESA-N 461.490 0.763 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840854665 IZNSDCOOEOBHON-YKSBVNFPSA-N 482.541 0.809 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(CC)COC3)C2)C1 1840908849 ISNSOAZCDSUYEL-HOYKHHGWSA-N 479.574 0.786 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1840959187 YBGZTPBKGHGCQB-IECBHUPTSA-N 497.589 0.670 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2)C1 1842736426 GPMFMHMFQPNQBQ-JKSUJKDBSA-N 493.561 0.274 30 20 JCED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)cc(C(F)(F)F)c1 1845513126 BRDTXJUMMJHAIP-UHFFFAOYSA-N 472.387 0.834 30 20 JCED C#CC(=O)N1CCCC12CN(C(=O)[C@H]1CCS(=O)(=O)C13CN(C(=O)OC(C)(C)C)C3)C2 1845960465 FFZWRMRNYLSBNO-OAHLLOKOSA-N 451.545 0.247 30 20 JCED COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1OCC(N)=O 494537080 RKJZWURAISKCHH-UHFFFAOYSA-N 458.496 0.578 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2cccc(OC)c2)CC1 502047744 WYIYQMYOGKBCQM-UHFFFAOYSA-N 478.578 0.308 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c(=O)n1C1CC1 591000100 JHDCIRPUSNZLGA-ZDUSSCGKSA-N 455.536 0.842 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC(F)F)cc2)c1=O 604269787 BSHWBWTXZWEUBN-UHFFFAOYSA-N 476.505 0.725 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(N)=O 608910761 JGMLEFFOOSSUCY-UHFFFAOYSA-N 467.551 0.353 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)C1=O 613854113 SQOLOLAEAJMTLZ-UHFFFAOYSA-N 450.398 0.549 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)nnc12 642200128 VGCMJIPRCKLVPW-UHFFFAOYSA-N 497.581 0.518 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cn1 729029818 IVKKJSTXFOVLBD-UHFFFAOYSA-N 459.480 0.888 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)CCCc3ccccc3)CC2)c1=O 748799396 ZRLREFBYONZWFB-UHFFFAOYSA-N 453.543 0.668 30 20 JCED CC(=O)N1CCN(C(=O)[C@H](OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C(C)C)CC1 877876758 BFBRBSFPVFKZJS-LJQANCHMSA-N 464.544 0.751 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)c1=O 917463830 QJZZAIIBDBXGGX-KRWDZBQOSA-N 472.521 0.285 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1CCOC 920832940 QQKAPRZRPADSAT-UHFFFAOYSA-N 454.411 0.315 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1296241624 RLFUUKPKVPZLOH-IERDGZPVSA-N 481.623 0.903 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1314646662 XBQMBIANCXJLTC-FQEVSTJZSA-N 469.546 0.354 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1316101455 IYNLIIRWGINRJZ-MRXNPFEDSA-N 459.594 0.371 30 20 JCED CO[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1504528560 KNMVNRDVJXAQQO-IRLDBZIGSA-N 497.600 0.990 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1507854098 NAZIJPDTHMTYFV-NVXWUHKLSA-N 482.010 0.989 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1510217116 GKFDAIJZXJSBFS-GXTWGEPZSA-N 481.533 0.841 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1519165175 NRTAYOAAEKOWBG-SJORKVTESA-N 456.569 0.547 30 20 JCED CC[C@H](C)[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)NCCN1CCOCC1 1565583618 RBXBTYDPNUFOEL-OXJNMPFZSA-N 453.547 0.919 30 20 JCED CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1603674352 VXMNBSIBMBBUSC-OAQYLSRUSA-N 459.576 0.619 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1696629605 IGPXHRAZYNTNPO-QZTJIDSGSA-N 478.600 0.864 30 20 JCED CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1696914691 SBJBHCQAFBHVRH-QGZVFWFLSA-N 469.546 0.796 30 20 JCED CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1710901323 MKSOKCNUMNQETQ-KRWDZBQOSA-N 460.564 0.315 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCC[C@@H](C)C1 1743096247 PCFHIVFCGWZQAH-AOIWGVFYSA-N 464.640 0.797 30 20 JCED CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747451999 VKHAXQZCUBVFDO-JGCGQSQUSA-N 456.576 0.876 30 20 JCED CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1768114680 MDAPDVOQFUNIHT-GUDVDZBRSA-N 476.559 0.727 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1778105250 QNMHOPKTVGIYED-BALLJRPXSA-N 452.552 0.896 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779098153 CQJNWQUFUOMBKQ-AHDYUXBHSA-N 498.577 0.621 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1781148577 DGFPBWUTLWDCNW-KSFYIVLOSA-N 465.551 0.492 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781188385 SZWSPNVHQWTISH-QMHKHESXSA-N 478.546 0.967 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1781264038 OWTDGDYZLCKJAJ-GAJHUEQPSA-N 483.562 0.601 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CC1 1781297262 QJEPBCARJSMMEG-DEOSSOPVSA-N 457.550 0.707 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1781340460 JQSLSIFUPALNKO-OPAMFIHVSA-N 450.536 0.786 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1783197242 UCPFKZPFIINVIZ-IBGZPJMESA-N 454.499 0.933 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566643 XPKRMLZCRSEGFR-BXKMTCNYSA-N 475.542 0.942 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783959159 ATRBEDMNXYQWHY-VFNWGFHPSA-N 469.560 0.551 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1784482529 DSLVZVRCFXGJGY-MJUPKGCFSA-N 479.574 0.375 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784580757 HYFGTFLXCGXOKJ-OYSTVDSJSA-N 492.573 0.771 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785610092 RGOXKOUENBAUBL-SEPYTNNBSA-N 467.563 0.519 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785666860 IYYZFEZFGRSJKP-CVDCTZTESA-N 498.646 0.850 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@@H]21 1786859056 GITPLRNUAMMEMF-ZWOKBUDYSA-N 469.542 0.893 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1789928124 JRXYMBLIQWYPHD-HVYSQBCLSA-N 495.621 0.714 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1790326946 AQXUBAAWLPEZNS-JIKIQGJBSA-N 495.565 0.830 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21)c1ccc(O)cc1 1791332884 AYXJFAGPBCJWPY-VKRLORBYSA-N 452.511 0.745 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]3C2)c(O)n1 1791769730 HNWCCSIOHIBUHQ-SNRMKQJTSA-N 465.572 0.934 30 20 JCED CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccccc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c2cc(C#N)c[nH]2)CCOC1 1798694112 CRZNAGNVTONQRA-CLMWXKPWSA-N 473.530 0.773 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800906397 MKXOHQQBYXNPPS-GFISCPRKSA-N 486.635 0.689 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN(C)C1)C2 1802126907 CSRHHBBRQQDQHM-SWBPCFCJSA-N 462.591 0.834 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1802149763 GLAPNUYIGBOEIM-WEMPKCCASA-N 484.553 0.396 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2cnccn2)[C@H]1c1cccnc1 1802482125 KNMUCRMCZRWCOB-NEYGCNLRSA-N 491.552 0.554 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]1c1cccnc1 1803582777 YVILKEMJANVKGX-JZRZRKMWSA-N 462.572 0.627 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1nc(N)n[nH]1)C2 1804376372 KRHJACAFWDBODK-FZKCQIBNSA-N 459.551 0.874 30 20 JCED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1806768460 KJGYDBWNMWJQKT-VMLRIFCLSA-N 452.533 0.661 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)CCOC1 1822976885 NEUWNJSJAYDKFE-XUSGNXJCSA-N 478.527 0.827 30 20 JCED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ncn3nc(N4CCOCC4)ccc13)CC2 1825015966 SPDZRPPOBUDEIG-CYBMUJFWSA-N 451.512 0.881 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1828029799 FABNNGCMAJINGC-YCRPNKLZSA-N 471.539 0.656 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1829346465 VAHSVBFFMQTFQB-KKSFZXQISA-N 473.559 0.444 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCSCC4)CCO3)C2)cc1 1829714911 IVJJUFXSCGGHSO-HSZRJFAPSA-N 458.584 0.871 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)c4ccccc4o3)CCO2)C1 1830306015 DMLAJPVEEXHGQY-OSPHWJPCSA-N 454.479 0.901 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461434 IZDUHDRLPBDCBG-RUZDIDTESA-N 464.522 0.960 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465496 JIQVMZNBABFWDS-HTAPYJJXSA-N 498.001 0.476 30 20 JCED COc1ccc2c(CC(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)c[nH]c2c1 1830820154 UQMNFISCMOBTRD-QHCPKHFHSA-N 455.467 0.263 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(C)(C)C 1831088433 HSSFDFWXZIUMTD-OFVILXPXSA-N 477.602 0.692 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1831387334 OWIFPEBZFLOOOM-GAJHUEQPSA-N 471.489 0.515 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831404461 NSVBKJIAKUHAAZ-FDDCHVKYSA-N 485.578 0.311 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831491180 YYNXNPDLVUUSCK-REWPJTCUSA-N 478.615 0.943 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)ccc1F 1831739217 VLSBWSDRDDTDHH-JOCHJYFZSA-N 455.446 0.506 30 20 JCED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1831837380 WTXYUXXRSGQNHC-HOCLYGCPSA-N 476.603 0.372 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1831997696 FDYYGWHAADNACN-QVKFZJNVSA-N 485.607 0.539 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832100601 AZIFTOILHNWNAO-YCRPNKLZSA-N 463.560 0.689 30 20 JCED CN(C)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1833361126 IYUFGPQPXBFXJE-HSZRJFAPSA-N 458.563 0.499 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1833475382 QOVLRALSXHTSDF-SFHVURJKSA-N 484.663 0.821 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(N5CCOCC5)cn4)CCO3)C2)CC1 1833614060 HOIMGVGJYBMEDW-QHCPKHFHSA-N 455.515 0.292 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCNC(=O)c3ccc[nH]3)CC2)CC1 1833797817 DFCLNILLFSDSAJ-SFHVURJKSA-N 457.575 0.745 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834760075 FOUVAVSHMDMXGG-VGSWGCGISA-N 466.535 0.382 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835495110 XOZCYWZDLWUVOL-MBSDFSHPSA-N 453.499 0.376 30 20 JCED C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677439 IJSNWSDAPNXVSF-JPYJTQIMSA-N 458.563 0.620 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)ccn1 1837531693 TWGSSUKJVBLGAD-ROZQTZPBSA-N 462.503 0.689 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564512 TZORBIRDQDIDDB-KBIDTTHRSA-N 456.503 0.446 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)CN3CCOCC3)CC2)CC1 1837803626 KQSKUJNKCUQRJC-WDRHXJDGSA-N 466.579 0.846 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)CCO2)C1 1838443424 OOBPZFIMUGJMQX-NPMXOYFQSA-N 485.566 0.885 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(OC)n(C)n2)CCO3)c1 1838834616 NMWAPWLRHYNDBT-QHCPKHFHSA-N 469.498 0.693 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(OC)cc4C#N)CCO3)C2)CC1 1839132717 PVOSWUBXLZZUMG-XMMPIXPASA-N 485.537 0.909 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1839175785 FZYMVUNTGUWLTE-HXOBKFHXSA-N 460.531 0.480 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1839223384 UHVYXYWAZUMXFA-VGOFRKELSA-N 458.519 0.689 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1839387578 ODNIJRRIMJIGPR-XFQAVAEZSA-N 472.539 0.087 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc([N+](=O)[O-])c1OC 1839471412 AZNKOXAGLNULBI-QFIPXVFZSA-N 474.470 0.986 30 20 JCED Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487670 RYJKFNRMESMSAU-HSZRJFAPSA-N 463.498 0.860 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839498585 FIYXXTZZHQCEDO-JKJLQIMHSA-N 454.531 0.876 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1839762948 KYKFHMHYFUTXBF-QHCPKHFHSA-N 471.510 0.737 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1839808430 RHGGVINKTIXDOX-CZSZKKDXSA-N 485.537 0.238 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]([C@@H](C)OC)N(C)C(=O)OC(C)(C)C)C2)C1 1839809740 JTJXHJSPLCNWFS-TVTNDZMWSA-N 453.536 0.346 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)cc(C(F)(F)F)c1 1839865149 KLDHSEYNQGDFTJ-HXUWFJFHSA-N 468.432 0.913 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1)C(F)(F)F 1839894037 GBFBWTOITFMLAV-LJQANCHMSA-N 460.497 0.341 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840011192 RPMOZPHKWQUFDP-FSCJKDELSA-N 491.541 0.319 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1840159710 LCARCIPDQPJRFR-STXHMFSFSA-N 460.597 0.003 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840171532 KERHPBOOBIUXGW-VGOFRKELSA-N 453.536 0.655 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251560 LNJMEJKMLTXCQJ-MMSOTJHASA-N 491.585 0.901 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1840906578 FWGRPGAPNAAPFT-XDHUDOTRSA-N 489.525 0.835 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1840907037 OAEUDJWGTLOEJZ-KSFYIVLOSA-N 461.519 0.396 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1840909067 LXJKGNIPMDNQNO-NBGIEHNGSA-N 486.569 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1841054488 HIYFOMUWTSMAHJ-MZIIKBMYSA-N 476.574 0.666 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CC(N)=O)C1 1841659194 CWLYDVMCAHHWRD-CVEARBPZSA-N 495.577 0.507 30 20 JCED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2)NC(=O)OC(C)(C)C 1846933178 HNNQWQLAGUUSQD-INIZCTEOSA-N 460.531 0.974 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1 514721399 YNZBMNAFHUUGQA-UHFFFAOYSA-N 456.524 0.952 30 20 JCED CN1CCN(c2ncccc2CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 520036875 MXUNDSJMDAVDPQ-UHFFFAOYSA-N 483.598 0.921 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 522537878 RJSJHKGLQWUFMT-UHFFFAOYSA-N 480.521 0.793 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CCc1ccccn1 523578068 SZAJSNLXGFFUFJ-UHFFFAOYSA-N 480.546 0.822 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCNS(C)(=O)=O 524281905 GEIUJJLAVALJLY-UHFFFAOYSA-N 483.015 0.532 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCNS(C)(=O)=O 589161767 YSXCXGMDYPMPTH-UHFFFAOYSA-N 498.424 0.950 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592992843 IJFZISZFIJOZCV-UHFFFAOYSA-N 456.503 0.305 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)C1=O 623230666 QBQGCCZSNAFUOY-UHFFFAOYSA-N 453.455 0.415 30 20 JCED CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 726291259 FKKQUXQOMLYKLZ-UHFFFAOYSA-N 457.512 0.664 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C#N)c(Cl)c1 726576705 AHOSXJDGVQOIFR-UHFFFAOYSA-N 482.953 0.813 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)CC2)o1 915381069 LRTJZIIVXVZHLM-UHFFFAOYSA-N 470.417 0.703 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 916693328 MZGLKNWMCDFIJO-HKOYGPOVSA-N 476.559 0.454 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2ccccc2)c1 918253727 YMTCYCRUKLFXMS-XHPQRKPJSA-N 471.539 0.984 30 20 JCED C#CCCN1CCN(C(=O)Cn2c(=O)c3c(ncn3CCOC)n(Cc3ccccc3)c2=O)CC1 920766944 SDLVXKIYVGPAKE-UHFFFAOYSA-N 478.553 0.222 30 20 JCED COC(=O)C1(NS(=O)(=O)c2cc(Br)ccc2C#N)CCS(=O)(=O)CC1 1211644417 WNBPRDZWOQBZCZ-UHFFFAOYSA-N 451.320 0.719 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1293218974 SUEOJJFBAABRLK-FUHWJXTLSA-N 457.560 0.813 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1313701380 SUTKMWZKJINVFW-UHFFFAOYSA-N 462.562 0.984 30 20 JCED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1314886564 RHFPAQKKBQSSKK-INIZCTEOSA-N 466.589 0.579 30 20 JCED COCCNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1317780669 YIFWSAYJWJFYNO-UHFFFAOYSA-N 462.572 0.960 30 20 JCED CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1503293369 WGTLHAPONZXMBN-YTTGMZPUSA-N 455.588 0.986 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1589405268 QBMHOXKLZQPKKW-KGLIPLIRSA-N 464.386 0.992 30 20 JCED COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cn1 1711853322 ILGNNZXIKQWFAZ-QGZVFWFLSA-N 461.548 0.803 30 20 JCED CN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1)S(C)(=O)=O 1729371479 KQHSZXSXXIAFJY-QFIPXVFZSA-N 490.586 0.740 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2F)C1 1750211357 JRLQCXPKCHIMDR-WBVHZDCISA-N 450.496 0.527 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1768428559 OVWBTKQHVJTRQN-FQEVSTJZSA-N 485.614 0.994 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1779065171 OBONCZBSTUUNSS-VWLOTQADSA-N 470.570 0.815 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1)c1ccc(O)cc1 1779094430 FWWLHNMHSAQWEB-QFZRFWILSA-N 471.554 0.370 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)cnc2c1 1779102311 VAZYIDNMCSOGFB-LUKVOKQUSA-N 483.525 0.975 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1779557058 WGSQXYDBCOXLQN-YZUZCNPQSA-N 474.533 0.905 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781168856 VOTQOUZSEVSKMN-HOYKHHGWSA-N 490.605 0.353 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C[C@@H]21 1783529764 ZQFWLUZDWRDHOC-UPDDZZLWSA-N 494.548 0.511 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783582686 FTDOQZLPXVDWPC-XCJWHIRFSA-N 473.570 0.989 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C2)C1 1783722661 KJYKTPDLQVQRHO-VGSWGCGISA-N 498.001 0.877 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1784087842 AVVIDAQXHIYPCJ-BSRJHKFKSA-N 497.614 0.959 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)[C@H](O)C1 1784379702 NEPHXWIYBDLJMZ-LUYSREMJSA-N 475.586 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 1785524141 GUJQKCBUGBSHLQ-LXHZQTKUSA-N 460.462 0.965 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4CCOCC4)cn3)[C@H]2C1 1785721467 QNZXMKVVLUAVBP-JEEBJRHZSA-N 456.543 0.550 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786558768 DTNUZGRIUCODFL-TUFLPTIASA-N 471.554 0.903 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/O[C@H]5CCCCO5)C[C@@H]43)ccc21 1787962181 SMCGJMMFWPBKGE-SWVOKLHOSA-N 499.568 0.999 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1789953771 HYJNNFLYYDAIOB-BSZJXLGXSA-N 475.546 0.773 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)C(F)(F)F 1790884382 CXIROPTZZBMLCR-YDHLFZDLSA-N 458.393 0.855 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1792563246 PIIGDVCGXAYTMQ-NRSBMGDRSA-N 480.569 0.518 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)c1ccccc1 1795301054 PWXYYEDOFKYXIS-OPMZPASUSA-N 478.567 0.949 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)c1n[nH]cc1I 1798115187 BTRPHXFIFKLDCR-JJLQDPRZSA-N 454.268 0.631 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1I 1798115207 DIKSBQIEPZVSQG-NRWUCQMLSA-N 474.299 0.809 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798599994 YCJMUUMBNJDVER-ALXJQNPVSA-N 483.529 0.164 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1799320519 GTIWAPPXMVORII-RCLSDMTESA-N 480.606 0.768 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801989986 HPQKQZAPWPZKPV-IGMJJTELSA-N 471.514 0.970 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@H]1c1cccnc1 1802479139 YGSFTTCSGBYBBZ-ZEUIOTOJSA-N 464.482 0.748 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1802481033 GWDIWWCBAXNVMU-LWIKUFJKSA-N 454.575 0.193 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)ccc1F 1804094584 QNJWXRUTMSDAFV-UZUQRXQVSA-N 478.484 0.893 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1804189146 ZFENUTKWXVOKCH-AGNJFEFDSA-N 455.519 0.111 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1)[C@@H](O)N1CCOCC1 1810354054 NLYDMXPDVAGTBR-BGWNEDDSSA-N 470.570 0.437 30 20 JCED C#CC(=O)NC[C@@H]1CCN(C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1812531033 VJKVTUHNGQDIPY-YWZLYKJASA-N 465.535 0.575 30 20 JCED O=C(CN(CCO)CCO)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1812714276 FZVSQUNGGZADNA-QPPBQGQZSA-N 472.586 0.073 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812872823 IAKNUZCTLYPKEN-JTDSTZFVSA-N 460.487 0.061 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813176943 HHNRMKYEAARVKF-VGSWGCGISA-N 454.483 0.522 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1814065017 DFWFYYIWFANTNI-OFVILXPXSA-N 481.553 0.325 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814230220 GLMAGAPQPIOHAK-AOIWGVFYSA-N 472.546 0.672 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815851630 ZYACAYDSFFNNCL-GZTOBOFZSA-N 490.567 0.379 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CNC2=O)CC3)c1 1821385132 RFSVVVQYRIJNEN-CYBMUJFWSA-N 468.495 0.801 30 20 JCED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)n[nH]1 1821780009 HTOYNDNEMZCTNX-NUEKZKHPSA-N 473.559 0.886 30 20 JCED CN(C)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828930020 RFRLABOOUMWAKD-XMMPIXPASA-N 470.526 0.478 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCN2C(=O)OCc1ccccc1 1829175876 IARSPMHMGPZAQQ-VWLOTQADSA-N 492.488 0.941 30 20 JCED N#Cc1cccc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)[C@@H](N)CN)C3)C2)c1 1829189708 IAYJABAATMGFGA-BKMJKUGQSA-N 490.564 0.910 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nccnc2C(N)=O)CC1 1829507113 WFRYIKYUBYJSCW-JTGQJZMRSA-N 454.531 0.667 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)c1=O 1829898396 BONSPAZIQHGEFY-XMMPIXPASA-N 450.495 0.570 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccc(OC)cc1)CCO2 1830217781 TVUPGBQQAUIJTH-QPPBQGQZSA-N 476.526 0.694 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1830880256 JCDKZKOQNVFRHH-AXHZCLLHSA-N 495.573 0.117 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830885531 HEHVQYLVANMIFD-MBSDFSHPSA-N 497.614 0.941 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1831392154 JRLPGSAYIGWKNQ-AUUYWEPGSA-N 469.336 0.291 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1831392158 JRLPGSAYIGWKNQ-KUHUBIRLSA-N 469.336 0.291 30 20 JCED C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(F)(F)F 1832160752 PKHAQOFWRYZEEL-YDYKYGGSSA-N 467.441 0.285 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832190650 HHKPPSMQXWHQJP-BIWNCCMMSA-N 455.405 0.872 30 20 JCED O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccc[nH]1 1832878740 IQOBIVRFRQQYAI-HPTBBYBNSA-N 471.514 0.303 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncnn4C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1833845983 KENKILXTXOAHFT-SBUREZEXSA-N 490.561 0.451 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1835646008 OHLWPHABILFKJS-QHCPKHFHSA-N 487.557 0.573 30 20 JCED COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(F)c1 1835672655 GFIKPWAKKSAMOH-JOCHJYFZSA-N 463.510 0.581 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(C)(C)C 1837486697 MMDMTSQWLPROKV-OFVILXPXSA-N 477.602 0.692 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1837493429 FCVYLEJFVORSKV-KBMIEXCESA-N 470.570 0.670 30 20 JCED COc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cc1F 1837524148 AOVLNEXCJWRTCJ-ZGOGOCENSA-N 480.493 0.828 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1837524203 BQTCRVRRGDZZCJ-IKKUEZTCSA-N 467.563 0.771 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)C1 1837530124 JBTBDILJFCQMNO-GNKUFIOOSA-N 495.573 0.951 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838568302 BZNMRAWBQBVIDW-HOYKHHGWSA-N 491.541 0.707 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C3)C2)c1 1838579369 JXNZZZCIZPKRJA-VQTJNVASSA-N 471.432 0.950 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4c(C)noc4N)C3)C2)c(C#N)c1 1839131981 LCWMNBHVXNCXIY-HSZRJFAPSA-N 469.498 0.758 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@]4(CN(C(=O)Cc5ccc(F)c(C#N)c5)CCO4)C3)CC2)CC1 1839187472 FLCOCVMANRZMTL-VWLOTQADSA-N 499.587 0.476 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839190750 BWYQMCAVDAQNJJ-VVZHRXSXSA-N 498.580 0.842 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1839215701 GWHZWBDNNRYFKU-PGRDOPGGSA-N 460.918 0.902 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839351095 PXFOSZCJXMCKBK-MEXCQQPDSA-N 454.483 0.568 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)ccc1Br 1839400952 JXLBAGVSJNIOOG-RXVVDRJESA-N 475.343 0.919 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488956 KGDDTKXVKYARDZ-HYBUGGRVSA-N 482.541 0.809 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1840089229 OQAIEUKIWJOMID-DGGJZMOXSA-N 469.579 0.929 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1)CCO2 1840147283 NZGLAFZJDNRJTK-IECBHUPTSA-N 480.558 0.932 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1840162935 ASQXUEUAZVIBSP-IUUKEHGRSA-N 462.494 0.918 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C(=O)OC)cc3)CCO2)C1 1840278793 DGLHQRLJHQYEDJ-VWLOTQADSA-N 488.537 0.982 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccon3)C2)C1 1840907577 YOOABCHEHRZQKO-AOMKIAJQSA-N 462.503 0.661 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCNC)C2)C1 1840912727 NKKUKRLAFCXGFD-PUZWTLIVSA-N 480.606 0.912 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC=O)C2 1844215457 IFBVRVIMJVPCDS-JKSUJKDBSA-N 481.550 0.130 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)c3cc(C#N)c[nH]3)C2)C(=O)C1 1844797497 JYMYLWDEFHDTAB-UHFFFAOYSA-N 470.530 0.783 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)NC(=O)OCC 1847939892 KFYWJJROXOBQRN-YHUYYLMFSA-N 454.524 0.722 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O)NC(=O)OC(C)(C)C 1848070686 UWNKVJHLUVEWLU-JYJNAYRXSA-N 463.535 0.600 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848128652 JHOQWRNGNJOGMD-YVSFHVDLSA-N 475.546 0.483 30 20 JCED C=CCn1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 22068766 HRPINBLYYBQAGX-UHFFFAOYSA-N 465.557 0.861 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 506968422 KNVJAUCIFAAGLO-GJZGRUSLSA-N 473.511 0.490 30 20 JCED C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 512101162 XBGBCWGTXJLGQS-SFHVURJKSA-N 469.585 0.355 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 514363701 UUFSEMSNYLHXBT-HXUWFJFHSA-N 476.603 0.517 30 20 JCED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 517184193 YDXJPYYWGDPFEK-UHFFFAOYSA-N 455.496 0.389 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 522275756 NFJDARYGUHPSMO-UHFFFAOYSA-N 493.969 0.984 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cccc4c3OCCO4)c2=O)cn1 523182490 OMWBAFCLVJYKLZ-UHFFFAOYSA-N 495.561 0.542 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)c1 524281127 HYFITHFYZSDUNL-UHFFFAOYSA-N 463.581 0.586 30 20 JCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(CC(N)=O)c1=O 524281465 YQOJHUJQGGDHHC-UHFFFAOYSA-N 465.462 0.957 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)ccc1F 552394302 LCQXBJUBYXZJJT-UHFFFAOYSA-N 470.570 0.986 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)c1=O 603724429 WAKHZJSWEGLTAZ-UHFFFAOYSA-N 459.507 0.091 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 603796258 BXSCNRRBJVYSCL-UHFFFAOYSA-N 483.594 0.230 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)CC2)cc1 603911917 WYFNTZIIAWFWBZ-UHFFFAOYSA-N 483.550 0.490 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCCOCC 603987717 QXMUFYLOOTZABE-UHFFFAOYSA-N 455.536 0.913 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cnc(C)s3)c2=O)cn1 726180929 XEVKLRZXIPFGRM-UHFFFAOYSA-N 458.569 0.536 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CCS(C)(=O)=O)c2=O)cn1 729671649 SUCPLGZOZYHKFV-UHFFFAOYSA-N 460.512 0.213 30 20 JCED COc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1OC 914684749 VJRACWFCNWJQQY-UHFFFAOYSA-N 471.470 0.494 30 20 JCED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 917021291 UNTNCAGJCFENID-LJQANCHMSA-N 497.533 0.470 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(=O)N(C)C 918729164 CIUHNQKAPZYZOF-UHFFFAOYSA-N 490.589 0.874 30 20 JCED C[C@H](CC(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1138794939 JFQPFEXMPPDKNI-CYBMUJFWSA-N 452.533 0.602 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 1141772928 PDWLYUJZIXDFIP-HOCLYGCPSA-N 454.574 0.545 30 20 JCED CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C[C@H](O)CN1CCOCC1 1191477170 VJEVTZFIAOANBI-RBUKOAKNSA-N 459.591 0.981 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 1295755509 PDTBQDXWZFXNNM-BHYGNILZSA-N 450.561 0.892 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1298018253 WJLOUYFDXNJUAT-UMSFTDKQSA-N 485.614 0.850 30 20 JCED CS(=O)(=O)NCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1505147044 QWBPEZXVRIJKSY-IBGZPJMESA-N 463.543 0.443 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507869660 WYYVSOKYIKAKOH-SFHVURJKSA-N 499.041 0.809 30 20 JCED C[C@@H]1COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1512555211 LVCYCPJGTNDBIE-MSOLQXFVSA-N 481.623 0.462 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1596675659 WHBMADZXBHQYQH-KRWDZBQOSA-N 495.462 0.749 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1696594189 JDEPVMDHEPJGSE-HSZRJFAPSA-N 469.546 0.090 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)c1 1730995673 QBSHYKBBPLHLLR-KRWDZBQOSA-N 479.584 0.902 30 20 JCED CS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1731021658 UZIOJJSNLAZXIR-UHFFFAOYSA-N 467.559 0.406 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749269071 MJTRIRIDTXZVHY-JKSUJKDBSA-N 460.988 0.716 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCOc2ncccc2F)C1 1770350067 UKNNYKYFLRRKKD-KRWDZBQOSA-N 479.538 0.964 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1779104730 GCOPTVSMWPZZDC-IERHDLLWSA-N 456.503 0.631 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780362601 NBOQLEXFZYYXEE-HLRKREJISA-N 460.413 0.796 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780933972 LBTDRBYCLMOXNA-ZHRRBRCNSA-N 462.572 0.295 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781295206 KJLXGTFCAYIOON-YCRPNKLZSA-N 451.520 0.750 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2 1781689071 KTCGLHKXDXLHEE-WZONZLPQSA-N 467.563 0.691 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1782668326 WEYUKNHVJOACEV-RTGFIBOWSA-N 456.547 0.502 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1782893171 JIFUVMRFXTVOCV-OSPHWJPCSA-N 491.589 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)CNC4=O)C[C@@H]21 1783531787 XADCDCNYUMUCMM-ZQPXHLQISA-N 452.511 0.382 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783642258 MBIIOBPQVVZZRK-YTJPUZGESA-N 462.547 0.880 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783759461 NITZLCXWEINHLA-UUOWRZLLSA-N 476.574 0.745 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)CCO2 1783913949 CPUURPNEEFFWIX-ZHRRBRCNSA-N 466.583 0.549 30 20 JCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(S(C)(=O)=O)c3)C[C@@H]21 1785015024 TYYPJTQTFRRVSI-WBAXXEDZSA-N 453.586 0.998 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785623488 JBKPKYNXUOFUCL-LRAJWGHMSA-N 487.623 0.476 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](COC)NC(C)=O)C[C@@H]32)c(O)n1 1785773447 HFZVBROIWZSRCH-DVWBAYGPSA-N 474.558 0.650 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncnn3C)[C@H]2C1 1785847667 JCHHTICCXSKISF-NXOAAHMSSA-N 462.551 0.878 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1791103384 UPJKVLKXCWCZRP-NXOAAHMSSA-N 466.535 0.726 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1791393420 SYEGUNKNEWWPQX-OZZMQFRTSA-N 457.508 0.392 30 20 JCED CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)Cc3ccc(C#N)cc3)CC2)CC1 1792558925 AHAXEGAHUGICFS-IUTQVRIDSA-N 451.571 0.470 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)NC2)c(C(F)(F)F)n1 1792579603 UWUUQCKQPDEMQD-KOFHJDLBSA-N 465.432 0.701 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793086066 OFWDVUABCVNPRF-DMUMMCEESA-N 469.579 0.835 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1793353182 OKXJODYZSBVDBB-AJYBTWMASA-N 469.579 0.835 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1793599883 IVTVZJCWNKDHMM-QLCXLMDBSA-N 464.563 0.572 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C2 1793600164 WTHWUYVXTZXOIT-SOVHRIKKSA-N 452.552 0.570 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc2nc(CO)[nH]c2c1 1796870661 YAZKBOBWFDPJBZ-IUCMUBOISA-N 454.531 0.730 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)c(C#N)c1 1799239606 KVORVFZJUKHNMP-NZGUISNBSA-N 461.540 0.276 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@H](N)C(N)=O)C3)cc(C(F)(F)F)c1 1799784744 LLVAEHGJKFSAAE-KPEUIFRASA-N 467.448 0.373 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)cc1C#N 1801736450 WQGBQOZJKFDINX-WKCHPHFGSA-N 458.559 0.884 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2)NC(=O)OC(C)(C)C 1801932090 OPRBHDIXGCCJRM-BMQTXXJKSA-N 466.579 0.962 30 20 JCED C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C 1802160303 AFBDZMMPXIZBLK-CMWLGVBASA-N 486.569 0.964 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c1 1804185276 BTYJXAAQRRKJNX-HTAPYJJXSA-N 476.493 0.833 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807023961 ZTDAHWRCBKBMRT-FUHWJXTLSA-N 466.479 0.094 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1808845814 OZICAXPSWVDUTR-IDHHARJASA-N 466.502 0.933 30 20 JCED Cn1c(=O)c(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)nc2ccccc21 1812877357 KZRLNILQWTZFCL-KSFYIVLOSA-N 459.462 0.736 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)CC2 1814978987 XUIVXWIMKSRJCI-CQSZACIVSA-N 482.632 0.763 30 20 JCED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)n[nH]2)CC1 1821780691 PSGRTYQPDNRLRG-CWRNSKLLSA-N 485.570 0.886 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CC[C@@H](N)C(N)=O)C3)C2)CC1 1828921130 OZAJAJZFDCLFIK-KBMIEXCESA-N 496.568 0.335 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)COCCO)CCN2C(=O)OCc2ccccc2)C1 1829223543 QNRYMJMNSMQABG-CPJSRVTESA-N 487.553 0.486 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)[C@H](O)C1 1829690514 APCJPFPHEATRFA-IXFSTUDKSA-N 480.562 0.364 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)c3ccccn3)C2)C1 1829773681 QCGBCSJBXQVBDZ-HMLKYZKVSA-N 456.543 0.674 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC3(CCN(C(=O)OC(C)(C)C)CC3)CO1)CCO2 1829846371 SYEDEEDOIOQHOT-KBMIEXCESA-N 491.585 0.882 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1831412096 CTGAICLOHWNCKC-DCLXLUIPSA-N 463.575 0.827 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2)C1 1831419580 NNWRUGGJUGYSRW-RAZUEPIFSA-N 499.605 0.962 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1831426037 FFBHYBDMQBPINN-SBUREZEXSA-N 467.563 0.901 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831483866 QHMRBQCIYIUFLI-XFQAVAEZSA-N 475.608 0.283 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)cc(C(F)(F)F)c1 1831575990 AKVFZHFDKZABKT-OXJNMPFZSA-N 482.415 0.755 30 20 JCED Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831812310 YTBWULZXCGLABX-ICILYHDOSA-N 463.535 0.636 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832729861 OINDJDADQMXDDJ-VGSWGCGISA-N 461.519 0.069 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833027406 CVXBURZGQDKGSB-XDHUDOTRSA-N 472.542 0.643 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1nc(C)sc1C)CCO2 1833146432 NYQQBXBGXCZAKV-LXHZQTKUSA-N 462.572 0.617 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834912576 WJZZADWMNZSZJI-HNNXBMFYSA-N 479.603 0.614 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1835099516 MCPVMFSCVICXTQ-DEOSSOPVSA-N 489.594 0.166 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)CCOC1 1835359179 YOMYUXFUVMHKLM-FGZHOGPDSA-N 466.535 0.430 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CSC(=N)N)CCO4)C3)c2c1 1835513995 UJGLRDGMDJDQFK-FQEVSTJZSA-N 457.516 0.131 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1)c1ccccc1 1835539308 HPDZTYDFMGLMTC-NZQKXSOJSA-N 493.497 0.365 30 20 JCED C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835688940 HVQUSUBSNFGGAT-KQLUBGJGSA-N 458.563 0.810 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccn(C)n4)CCO3)C2)c1 1836061833 BJYMZYOHMYIFHR-QHCPKHFHSA-N 453.499 0.613 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](C)n4cnnn4)CC3)CC2)c1 1836125183 BPWAUOZAUHHWLI-MRXNPFEDSA-N 466.546 1.000 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C(F)(F)F)cn3)CCO2)C1 1836374864 LFMBSSYMJMISCH-LIRRHRJNSA-N 456.421 0.604 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cnccc3nc1C)CCO2 1836836412 GVYDXWXPNWGMRK-OVMSLRDFSA-N 479.537 0.867 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837079723 YFOWNLWQLQUIST-GOSISDBHSA-N 486.635 0.516 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1837390850 DMEOZNIPTSWZJT-YADARESESA-N 456.543 0.906 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1837403432 STCFNIFSORGPOF-KSFYIVLOSA-N 455.552 0.541 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837492340 FRDAYISNKACDEE-DEOSSOPVSA-N 456.543 0.598 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524499 BXKVBADEAXTOEX-HCQBAUJFSA-N 468.551 0.278 30 20 JCED CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)C(C)C 1837528650 MEJCYGUGNGPIRT-DVTXJBKOSA-N 469.535 0.560 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529842 ZQLUMKJLNYLAHU-BUTVFUAISA-N 479.534 0.129 30 20 JCED Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837532337 BMZKUQHWTRCRTP-AHLCNKESSA-N 463.535 0.738 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837836075 VFMBBGWXPOYVSQ-KRWDZBQOSA-N 461.496 0.283 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1 1838349838 VDTHSDNCSJNPOM-XTSMJKTBSA-N 463.491 0.084 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(N(C)C)c1)CCO2 1838922595 COTUKWOCWPBBRW-HMLKYZKVSA-N 456.543 0.681 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839106409 FYHWJLNRGWPPTP-OAQYLSRUSA-N 452.621 0.142 30 20 JCED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)c(=O)[nH]c1C 1839361424 JDKJBZYUWIBBJU-DEOSSOPVSA-N 465.510 0.837 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)c1 1839454191 ZGTDIDMMHLIHKD-XMMPIXPASA-N 454.527 0.949 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839666116 REFPSVIQADDCHI-CYFREDJKSA-N 474.558 0.639 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)CCO2 1839697600 ZGTJMVOUGORWTJ-LMENCDANSA-N 451.545 0.847 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1Cl 1839783644 LAFMGHSPWGUMFC-UTKZUKDTSA-N 481.958 0.859 30 20 JCED COC1(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)CN(C(=O)OC(C)(C)C)C1 1840161366 MJYVROKEAHVRHL-AOMKIAJQSA-N 487.619 0.787 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)c(O)n1 1840177548 CPOQWIZOGJQTHL-DNQXCXABSA-N 491.541 0.592 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)c1ccc(O)cc1 1840222152 GIGOCYSUNVQZQF-FHAGJXEFSA-N 469.538 0.482 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1840550713 LFXSNSGFOIFJGL-HXUWFJFHSA-N 469.947 0.716 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840795353 DGSFNSAYJURALW-YIGJPRQDSA-N 496.605 0.827 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc5c4NC(=O)C5=O)C3)C2)CCC1 1840814242 WIJRGVPOLMEHFD-QHCPKHFHSA-N 452.467 0.585 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1840907058 OOTHSEDAJFBVKR-CYFREDJKSA-N 489.573 0.565 30 20 JCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)C[C@@H]3NC(=O)NC3=O)C2)c(C(F)(F)F)n1 1841959602 ASKJTBHXAUISPX-LBPRGKRZSA-N 450.377 0.387 30 20 JCED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2)NC(=O)OC(C)(C)C 1846934041 IERFOBCIQDCOEF-HNNXBMFYSA-N 463.535 0.601 30 20 JCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C1 1847100228 ALHRGKSNSTZNGI-KGLIPLIRSA-N 457.597 0.850 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)C/N=C/c2ccco2)C3)C(=O)C1 1847122631 FKVYSZALAKXKFU-BRJLIKDPSA-N 487.557 0.981 30 20 JCED CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc21 16775957 FHPVHPDEEHGBJO-UHFFFAOYSA-N 467.507 0.728 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)S(=O)(=O)c1ccc(C#N)cc1 25625171 XOHZBXGXVTUXSM-UHFFFAOYSA-N 487.563 0.584 30 20 JCED C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)CC1 108929543 VJGGAGIZNMBGHU-UHFFFAOYSA-N 450.517 0.782 30 20 JCED C=CCN(C(=O)CSc1nnc2nc(NCC)nc(NCC)n12)[C@H]1CCS(=O)(=O)C1 108937967 ZTHZUCKPDGKFOC-LBPRGKRZSA-N 454.582 0.677 30 20 JCED COc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccn3)c2=O)c1 480030010 NJZCCDSCRDAYGY-UHFFFAOYSA-N 491.573 0.254 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)ccc2OC)c(=O)n1C 489174494 YGMBWFWLENRTGO-UHFFFAOYSA-N 466.357 0.874 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)C1=O 510223312 NSCXIRQRYPQLSJ-UHFFFAOYSA-N 450.473 0.850 30 20 JCED CN(CC(=O)Nc1ccccc1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 515035752 JGPUWMMBZFXALE-UHFFFAOYSA-N 455.540 0.962 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCNS(C)(=O)=O 517495431 ZSACGOMFRLJMDR-UHFFFAOYSA-N 476.624 0.495 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 523478593 JZHWVNJGFPVINM-UHFFFAOYSA-N 498.605 0.385 30 20 JCED CC(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCN(C)CC1 603806500 VAOHAMVMXVKJCT-OAQYLSRUSA-N 462.620 0.846 30 20 JCED CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 604167649 KOAPPMXCTLPUFL-UHFFFAOYSA-N 461.526 0.628 30 20 JCED C=CCn1c(N)nnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 641980701 RJABBOTYBNFYLE-UHFFFAOYSA-N 468.561 0.807 30 20 JCED Cn1nc(Br)c2c(=O)n(CC(=O)OCC(=O)N(CCC#N)CCC#N)cnc21 727221228 ISOXHJUJHIGMEY-UHFFFAOYSA-N 450.253 0.092 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 727806042 GUORDYGIHONCJF-UHFFFAOYSA-N 470.551 0.912 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)O[C@@H](C)C(=O)N(C)CCC#N)CC2)cc1 729235154 UNSRMVOWSFRCFC-SFHVURJKSA-N 478.571 0.912 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 760371665 AJBKKNYVWQWBAO-MRXNPFEDSA-N 451.501 0.837 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCSc1ccccc1 839334789 IGSIEDFJJVCSJS-UHFFFAOYSA-N 469.592 0.701 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 901673230 HYKBLQMVUSNIFW-CQSZACIVSA-N 494.526 0.713 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3cc(Cl)ccc3OC)CC2)c1=O 914569122 PPDOKKNWGNMOAW-UHFFFAOYSA-N 461.950 0.981 30 20 JCED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 916893477 CMWWJMKKTPYKBQ-GOSISDBHSA-N 456.480 0.777 30 20 JCED COC(=O)N1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1315113985 NBHAXZUVAGIIBK-JKSUJKDBSA-N 452.537 0.387 30 20 JCED COCCN1C[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1316121804 ZZEIPOMHRKKLSL-LZJOCLMNSA-N 464.592 0.805 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1466973862 USGMKZNDOYYPQC-GDBMZVCRSA-N 452.533 0.977 30 20 JCED COCCN(CCC#N)S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1475295037 SEZHUYWKTLHLBE-CABCVRRESA-N 456.487 0.641 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCOC1 1502728650 JEMYXYHAOATQMI-GPMSIDNRSA-N 474.484 0.922 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1519165171 NRTAYOAAEKOWBG-IAGOWNOFSA-N 456.569 0.547 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCc2sccc2C1 1541946171 QRSNSMPXNKRDPX-ZBFHGGJFSA-N 465.605 0.737 30 20 JCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)CCO1 1620356081 RSJFNFKLZZGQNB-ROUUACIJSA-N 458.544 0.268 30 20 JCED CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1679425263 RLRPYLKVYATDEJ-FUHWJXTLSA-N 454.574 0.930 30 20 JCED CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1708823335 KKCNYCPFLJWZGA-ROUUACIJSA-N 481.623 0.339 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1747427357 NVGOHUZXJSEVBO-FUHWJXTLSA-N 499.663 0.028 30 20 JCED CN(CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1768893536 VCDZCUOHWXPOCE-LSDHHAIUSA-N 495.528 0.224 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO3)c1 1780169537 RMVYHDWZEAUMCE-YADARESESA-N 488.541 0.896 30 20 JCED COC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(OC)cc2C#N)C1 1780689003 SBOQTPBVWFRJCS-AUSIDOKSSA-N 458.515 0.979 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)c3cccc(Br)c3)C2)C1 1780974039 MYSFQVJPGQLVGI-HKUYNNGSSA-N 451.273 0.400 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781340511 PSPKJHQVALBXID-SBUREZEXSA-N 483.562 0.601 30 20 JCED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1781601196 TZFZUSACSFAMTI-IPRDPGLQSA-N 490.626 0.647 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1781862006 YCPKRVZGDVIYFZ-WMZHIEFXSA-N 476.505 0.913 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2 1782069133 CAXBXCPUXCEZJW-AUSIDOKSSA-N 469.579 0.746 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(C(=O)O)ncn5)CCO4)C3)c2c1 1782192756 VHSGJBAQULKPLI-JOCHJYFZSA-N 461.438 0.680 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558564 ZRLJAMYRSULAEA-MHECFPHRSA-N 486.525 0.435 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3cccc(Br)c3n1)CCO2 1783566170 QVCGBTGMQKFMMS-IBGZPJMESA-N 461.272 0.628 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783836323 VEQQPFUUJIREAI-ZHRRBRCNSA-N 498.602 0.448 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC)NC(C)=O)C[C@@H]21 1784786313 VCIWOMIPCHBNKQ-HVTWWXFQSA-N 496.605 0.587 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCN3C(=O)c4ccccc4C3=O)[C@H]2C1 1785068802 ZEBDNMOOCHOWFW-SNRMKQJTSA-N 467.478 0.131 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1785571625 FWLHDZWRTHBHPV-WZONZLPQSA-N 480.631 0.782 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1785572124 KCAIMTNPKADAKA-AOMKIAJQSA-N 465.551 0.004 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc(C)c(O)nc4=O)C[C@@H]32)c(O)n1 1785776983 VDQFHYZAEHNOFC-VDGAXYAQSA-N 497.552 0.770 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1)c1ccc(O)cc1 1786792033 GKNCXRSMHHMUGL-QIJZPMMNSA-N 493.497 0.594 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1790788888 JJGWZKPFTKQNOH-ZFUXXKLESA-N 455.577 0.261 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 1792489938 BBRXHQZTXNNATD-JLRLZTEKSA-N 460.462 0.724 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1792884567 QUWVTWFIHQKCIE-ZMMAXQRCSA-N 455.552 0.444 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)C1 1792970838 USFOCRGBLDEIDZ-LDMLCANGSA-N 451.520 0.694 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CS(C)(=O)=O)c(C#N)c1 1793369887 UCZDEEFOZPAYRF-HEFCWWFNSA-N 463.556 0.380 30 20 JCED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)cnc1I 1795078046 MCYTYUGZLKZKAT-JJLQDPRZSA-N 470.267 0.812 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795448744 ODZGRNWQMDVZPL-AXVVYFOYSA-N 464.563 0.668 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796300693 IEZJZBXDGZZGDL-KSWRQPAISA-N 456.540 0.263 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1c(=O)n(C)c2ccccc21 1797172442 HZXFQKPGEJTFBN-MNDZRTMASA-N 456.543 0.503 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)C=C 1797939055 ANNQUWKJGNZBIH-OGJJZOIMSA-N 464.563 0.736 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)cc2)C3)C1 1799196633 MDLIMEGFBSVMLR-VIYGXFRKSA-N 484.553 0.989 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1800945037 OVAZRVXODWLGDF-SFNKJDCFSA-N 485.603 0.317 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCn2cncn2)N(C(=O)OC(C)(C)C)C1 1801263650 COQFYUPLYBJWDR-DMUMMCEESA-N 474.562 0.823 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)CN4C(=O)CNC4=O)[C@@H]3c3cccnc3)c2c1 1804094041 BRJVHWGQJWBTAY-AOMKIAJQSA-N 486.492 0.701 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1811500114 DAMCUJFLLCNWIJ-YJTJXXDOSA-N 487.557 0.789 30 20 JCED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1813046908 PNOKJPFMYXUZCE-RXVVDRJESA-N 491.552 0.338 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)cc1 1816667118 IORSMSBNANFVTB-CQSZACIVSA-N 489.521 0.999 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(=O)n5[nH]nnc5n4)[nH]n3)c2c1 1821380692 IIXLLIIXZFRUKH-INIZCTEOSA-N 498.467 0.903 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CC2 1825663454 GQIYTCZMXWQHOZ-VHSXEESVSA-N 457.468 0.149 30 20 JCED O=C1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCN3C(=O)OCc3ccccc3)C2)CN1 1828575497 LPXBZNTXHGFZSL-LVXARBLLSA-N 478.549 0.988 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnnn3C)CCN2C(=O)OCc2ccccc2)C1 1828642195 RZMLXGIKUPGPHG-KBMIEXCESA-N 494.552 0.919 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCN2C(=O)OCc2ccccc2)C1 1829232459 QGNDIQFWWKRFTH-CPJSRVTESA-N 494.552 0.769 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1829465721 BJERDKBJASUILC-HSZRJFAPSA-N 455.515 0.520 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1829771512 UBANZLNDXOQYOY-XXGSHBOYSA-N 477.558 0.235 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056373 VSVSSMSADPDKAQ-QQMNAOGKSA-N 480.562 0.363 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)C1 1830715198 ZNUGAXPLUVGYFX-VDVULAQNSA-N 453.536 0.833 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1830835856 FRRUNRGYRNXFPB-NIYFSFCBSA-N 497.548 0.096 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Br)c3)C2)C1 1831395943 CLCMDBWNENSLEK-MGPUTAFESA-N 466.332 0.952 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1831412279 JEPWQOBUSNLZIU-NTKDMRAZSA-N 499.605 0.701 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1831425378 CSDLJEVNPCFJOP-ZQMYSKGWSA-N 459.499 0.769 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1831484963 JVWBBSURZWFFIQ-GHTZIAJQSA-N 485.628 0.651 30 20 JCED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)c1=O 1831895320 NLXIYPWTXDZPTE-DEOSSOPVSA-N 466.494 0.406 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1832000643 USIBZKVUATXKCE-WAIKUNEKSA-N 491.545 0.309 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1833075482 QPNPHHXJESBARB-NGXITPROSA-N 493.605 0.260 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCSC)CC2)CC1 1833076682 KJVYYDMCWJWAJN-HMECNJMJSA-N 452.621 0.530 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)cc1 1833269064 FDRMQJGETUWTOX-DEOSSOPVSA-N 450.495 0.894 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CC(c4ccccc4)=NO3)CC2)CC1 1833436399 JIXHCSHQJJYJMB-OAQYLSRUSA-N 452.511 0.839 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)cc1 1833467564 BDCRRZRCYSPWCY-HSZRJFAPSA-N 452.467 0.270 30 20 JCED COCCOCCOCCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834716985 DWALBJFDSPOYNW-UHFFFAOYSA-N 495.665 0.910 30 20 JCED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)CC[C@H](N)C(N)=O)CC3)CC2)c1 1834732467 QFEQALHKZWFCRM-QFIPXVFZSA-N 468.602 0.655 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)c1cc(O)nc(O)n1 1835075340 HYVVZGNYHZMEQB-YDZHTSKRSA-N 456.503 0.785 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1835674893 RSCOOXRSXBUBJN-HSZRJFAPSA-N 454.531 0.866 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1835767703 MQTTZJSSMHQSAF-ANRKENSESA-N 476.534 0.602 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835807123 LHUWCQCSHGTKRS-HOSHAOQPSA-N 456.543 0.044 30 20 JCED CC(C)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)C 1835897358 BRHGMBHDAQHIGP-FVOVQBGFSA-N 451.612 0.937 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1837308875 CQIWLANTCAKJLM-WZONZLPQSA-N 460.531 0.938 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1837402794 FGQANOKSQZSPNM-RDPSFJRHSA-N 469.542 0.910 30 20 JCED Cc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1F 1837525555 XFAIVOAHLXQNHY-XMPRZIBXSA-N 453.471 0.456 30 20 JCED CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)C(C)C 1837528652 MEJCYGUGNGPIRT-JPRVOSEXSA-N 469.535 0.560 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837532912 ICLOWXUKZCIITL-FIRSQWHBSA-N 476.530 0.834 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839036409 BFDVIJIDNUJQTM-WAIKUNEKSA-N 458.490 0.704 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1839130218 YGYYMSGEECGMHB-CHJDIFOWSA-N 493.601 0.911 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CS(=O)(=O)N4CCCC4)C3)C2)c1 1839420555 PPGWYLWELIDAGO-JOCHJYFZSA-N 494.545 0.193 30 20 JCED CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(OC)cc4C#N)C3)C2)COC1 1839778349 UMHPXTZZFAVCRK-XMMPIXPASA-N 457.527 0.992 30 20 JCED COc1ccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1OC 1840039663 CDBOGIHOWLKKKS-QHCPKHFHSA-N 460.483 0.181 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1840168671 YAGUHFBWJAZMNQ-OHUGHZGNSA-N 493.601 0.864 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1)c1ccc(O)cc1 1840221835 MUPWWOCNEDTONX-KBMIEXCESA-N 496.568 0.679 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251645 RBHQEWFDMHWHIL-GAJHUEQPSA-N 491.545 0.751 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)cc1 1840378895 LWAUEKDKXKEENZ-OAQYLSRUSA-N 456.528 0.468 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnn1)CCO2)c1cccs1 1840409656 WKVWBWZFNNOVOT-BDNZGDGKSA-N 472.523 0.812 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncnn4C)C3)C2)cc1C#N 1840762666 IQGQJYFWGRJADK-QHCPKHFHSA-N 468.514 0.858 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1840883279 VCZINTQUWOUKEZ-YADARESESA-N 495.573 0.703 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1841602925 AXOJRLTYBRHSDN-HZPDHXFCSA-N 451.520 0.685 30 20 JCED O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1)c1cccs1 1841893859 OCSVUEJHDJNNKA-SNAWJCMRSA-N 451.570 0.421 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235120 AZQVQNOTMODTRL-OAHLLOKOSA-N 498.544 0.326 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1846282609 ZTFFJFZUIIDFFR-SFHVURJKSA-N 483.573 0.681 30 20 JCED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1 516436746 KFHRWFNQDSZOAG-UHFFFAOYSA-N 453.480 0.524 30 20 JCED Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccnn3C)c2=O)c1 520105127 URAHTCNKGQWGLS-UHFFFAOYSA-N 496.568 0.032 30 20 JCED CCOc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(=O)(=O)N(C)C 604169278 XOXYNZSUFAUGNG-UHFFFAOYSA-N 486.554 0.890 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(=O)N(C)C 604269793 CEKZPIPFVAAVHK-UHFFFAOYSA-N 464.494 0.629 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(F)cc3F)c2=O)cn1 608884258 WLRBCRUNQHORIU-UHFFFAOYSA-N 484.484 0.943 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n(CC(N)=O)c1=O 608911469 HAZFTSJFNFDTDT-UHFFFAOYSA-N 492.513 0.317 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCNS(C)(=O)=O 608913063 QQCXYALXORNUBN-UHFFFAOYSA-N 466.560 0.017 30 20 JCED Cc1nc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cn1C 727014033 QHGKBFQBNBPTLR-SNVBAGLBSA-N 451.530 0.999 30 20 JCED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 844254393 NZNXJCJIIVKFIK-UHFFFAOYSA-N 494.508 0.688 30 20 JCED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc(C#N)c2)cc1 916809427 SNFCPMUCYJNFGB-UHFFFAOYSA-N 481.552 0.960 30 20 JCED CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1297792088 XXLBXZJXJVSMOY-XIFFEERXSA-N 473.607 0.523 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1547782709 TWHPNGNLTJRBIP-RRMPHLOHSA-N 460.560 0.875 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(N2CCOCC2)n1 1611659602 TWAMJASHCSMSOX-HZPDHXFCSA-N 462.580 0.907 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1617625784 SHIIYCKFGOYLPW-UHFFFAOYSA-N 483.573 0.480 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)CCO1 1620356080 RSJFNFKLZZGQNB-QZTJIDSGSA-N 458.544 0.268 30 20 JCED CS(=O)(=O)NCC1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1643047925 DTFHARFVPOLGSB-HXUWFJFHSA-N 451.568 0.796 30 20 JCED C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1692857538 ZWIVRBIIDWHFNH-UTKZUKDTSA-N 457.560 0.942 30 20 JCED CS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1698321172 UIENVVSEBGBMHQ-MRXNPFEDSA-N 476.538 0.116 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccccc2F)C1 1750211606 PCNJWSSMTGQULW-WMZOPIPTSA-N 464.523 0.722 30 20 JCED C[C@H](CN1CCCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1761429975 ZWIGEMHQBLZWIL-UWVAXJGDSA-N 469.587 0.785 30 20 JCED COC1CCC(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1769025122 YCIZADQSCVRPNQ-CSODTCANSA-N 482.607 0.935 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778869821 HLFPYEIHZPDHML-LYTJZECFSA-N 454.483 0.409 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1779014262 CMESPUOPIZXDAG-GENGVREBSA-N 452.405 0.643 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779423081 CLGJHOAULZEZJL-PUKVZAMJSA-N 497.545 0.524 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCOCCOCCOC)C1 1782069178 DHYMLXILYDOPRN-YZUZCNPQSA-N 484.590 0.235 30 20 JCED CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783113108 IKAZEVHCSLQZBW-WJONJSRFSA-N 451.520 0.892 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3[nH]nc(Br)c3c1)CCO2 1783565477 UWWJMTVSPIHDPZ-LJQANCHMSA-N 461.272 0.857 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1783767144 WOHWLEMVGUUDGE-OPAMFIHVSA-N 464.567 0.126 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)cc(C(F)(F)F)c1 1784115966 GLQFKMVKKCLZOY-NRFANRHFSA-N 476.411 0.946 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1784786288 UBVQKMRJNIZBPS-JCECYMMASA-N 464.563 0.714 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1785729376 ZYUNTWVFUURKRY-LTZZLEMGSA-N 493.605 0.924 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1787513620 MKEXUXLAKNUHKI-OZZMQFRTSA-N 457.508 0.392 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1788604084 OOLYGPOFORJQMC-JGDVACIGSA-N 459.591 0.839 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CSCSC3)[C@H]2C1 1788683260 VVHIDYGACIECQP-UTIXKJGASA-N 468.645 0.868 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccnc4C(N)=O)C[C@@H]32)c(C#N)c1 1789840111 LREZFTWBKXCUBR-NDXORKPFSA-N 477.521 0.897 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1791022317 ZORVARMRNZSOJO-NXOAAHMSSA-N 461.515 0.311 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21)c1ccc(O)cc1 1791335835 IHVONAHACHAMSM-JQTDGLIBSA-N 455.555 0.592 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21 1792259131 ZBRPZUHTFAYPKU-NXOAAHMSSA-N 450.536 0.148 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792582577 ACCYVOXZYKMUER-XLIFZOOWSA-N 490.601 0.799 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)c(O)n1 1794488725 OCVNHYGREOIEML-MFKICJERSA-N 468.510 0.424 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCN(C)CC2)c1 1795445458 IVZBYNXSGTVXEE-JHDGKUDLSA-N 455.559 0.408 30 20 JCED CCOC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)ccn1 1795599468 KUPNIUIKVBFXRG-IZZQQSIFSA-N 457.531 0.743 30 20 JCED CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1796296279 WJEPTIOEFBDQMI-KRXQYRFLSA-N 469.560 0.310 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)[C@@H](O)C1 1797309423 ADAZFLUBEXGFHK-SOWBTEIWSA-N 476.574 0.888 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1ON=C(c2ccccc2)O1 1797641949 OXSLQZPPXJPJND-BMQTXXJKSA-N 455.515 0.593 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1797808710 NPVYXNQWHMPPIU-SEQWNCGRSA-N 487.557 0.650 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2ccccn2)[nH]n1 1798171683 DCUXEFSWCAMGFC-CWPLJXCYSA-N 451.531 0.957 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O)c1ccccc1 1798356486 OFLJDSXQUMGKRM-YRPNKDGESA-N 461.522 0.976 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799196005 LPAXMSWZACIZQG-HTPGKPQGSA-N 471.620 0.758 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1799320745 NLNKPDKGVRXHDA-OYNZLANYSA-N 464.563 0.714 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800293273 QDORWHTZKLOFFY-ORVPSHMPSA-N 456.543 0.755 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1800985483 JBASEANNZZOLRA-ZXFNITATSA-N 460.560 0.087 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1802187261 BNFLZOMBDOMPHX-JSJNYSNDSA-N 498.646 0.610 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1802480537 CQMQFLNKMPHHKA-VIXCZISXSA-N 459.503 0.010 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNCP(=O)(O)O)C2 1804406197 ZVQLUZJZINRTNF-UTBLSDIXSA-N 486.506 0.819 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 1821595139 DEHCLEAOXQMXPC-ZYHUDNBSSA-N 450.546 0.896 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCN2C(=O)OCc1ccccc1 1828644802 GWJSRERRJXWYLS-RUZDIDTESA-N 475.505 0.879 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828967369 FCEMTYXTVQZZIM-GGAORHGYSA-N 461.603 0.955 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310322 UHPHTOGMHIJGHP-CEXJFXJFSA-N 474.583 0.893 30 20 JCED CNC(=O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCN2C(=O)OCc1ccccc1 1829340872 RUOGHEOPWKJPEL-KSFYIVLOSA-N 462.572 0.893 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1829342264 IBSCJSUPTDHTFE-ULYRPOKDSA-N 476.555 0.865 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1829764848 ATHCFOXWBCHNKS-AWWPTUBISA-N 458.515 0.176 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)c3C(F)(F)F)C2)C1 1829766310 QZKOSAFAPHBWCY-FBQMEGEOSA-N 485.463 0.367 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5cccnc45)C3)C2)cc1 1829903109 IHJWBTJJGWJTJI-XMMPIXPASA-N 460.494 0.914 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)[C@@H]1SC(=N)NC1=O 1830460664 RNHWQMFHSUFWIA-GSMBIVSISA-N 499.593 0.750 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831019442 DDOXDYVWLPPXEL-JOCHJYFZSA-N 465.623 0.946 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1831387335 OWIFPEBZFLOOOM-HXOBKFHXSA-N 471.489 0.515 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1831609212 KRMDAJDHGOHGLO-SZNDQCEHSA-N 493.358 0.902 30 20 JCED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c1=O 1831889879 DXNOTYUUEFQOCZ-DEOSSOPVSA-N 476.493 0.517 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1831998691 QUHPISCANMVNRX-QRQCRPRQSA-N 479.534 0.655 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1831999088 PNZBYDFYDYCTTF-HXOBKFHXSA-N 496.561 0.364 30 20 JCED O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccc[nH]1 1832878749 IWSMOLPTWORYIA-XNUVYTDDSA-N 491.545 0.120 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCc5cn[nH]c5)CCO4)C3)c2c1 1832942590 OAIKIYIYESHJDZ-HSZRJFAPSA-N 463.498 0.860 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CSCC(=O)O)CC2)CC1 1833077105 PENMSFILQVRPMX-ARJAWSKDSA-N 452.577 0.234 30 20 JCED C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833521639 RYHOCZMTVQIJBM-NGONFYQLSA-N 451.568 0.599 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)c(O)n1 1833698945 PWMCWFOXYVBTFP-QHCPKHFHSA-N 455.515 0.942 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1834715263 MFVUGALRSLKRIH-MAUKXSAKSA-N 491.662 0.642 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c1 1834735545 XXFBDAVAJJHAKZ-OAQYLSRUSA-N 470.574 0.345 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834765998 PZMIUTZNSXOCAE-SBUREZEXSA-N 495.577 0.118 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768976 SFWGRSHOTAGBBV-YCRPNKLZSA-N 450.492 0.283 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835208356 HGJVJJVWPDANGJ-VGOFRKELSA-N 455.552 0.901 30 20 JCED CS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1835257244 XWSFBAULWGVWES-LJQANCHMSA-N 455.920 0.326 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)cc1C#N 1835261954 WFIVFILQXZHXLA-QFIPXVFZSA-N 479.555 0.460 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835448406 BVJGIZCNVMZLQO-XMMPIXPASA-N 472.542 0.116 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CS[C@@H]3CCCCO3)C2)C1 1835677804 OKHSQUSVRRETNQ-KNQAVFIVSA-N 468.620 0.984 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1835680907 OYFNCRBDBSWQDH-HSZRJFAPSA-N 457.531 0.137 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1836381066 VZUCJBFGQLYXRN-QFIPXVFZSA-N 463.556 0.500 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1836468604 IUNHYLDPVLGTFN-LAUBAEHRSA-N 451.545 0.877 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C2)C1 1837392047 YSIUZSCVHDZYBK-MZLICYQSSA-N 462.543 0.758 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1837396883 OEUPTLOBJJLDEI-HXOBKFHXSA-N 472.546 0.384 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1837491056 JANDDOUYSGYTJQ-XMMPIXPASA-N 472.542 0.434 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1)c1ccccc1 1837611482 IMFLODUWCDINSQ-SKPFHBQLSA-N 455.511 0.748 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1)c1ccccc1 1837614705 VBCNNTIQHFXEDY-QPPBQGQZSA-N 451.527 0.932 30 20 JCED Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1838220872 QFZUBLURLVXKQP-HSZRJFAPSA-N 451.483 0.806 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)cc2NC1=O 1838588357 RPTMYDPMJLMSOG-NPMXOYFQSA-N 454.483 0.780 30 20 JCED CS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838595271 KFSZGEKSWAIYHV-LJQANCHMSA-N 455.920 0.326 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5snnc5c4)C3)C2)c1 1838737987 IVIDDLDUBJWBHH-HXUWFJFHSA-N 453.484 0.670 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838763008 YBSGVTUFBSQMDO-BLLLJJGKSA-N 451.471 0.848 30 20 JCED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1OC 1838840911 NMDXZCSBYNLPNW-UPZXMLDGSA-N 492.529 0.698 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839082280 GNOPWMSSSMRAGE-PPUBWZKDSA-N 472.542 0.556 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2)C(F)(F)F 1839084472 DOLPMHWTCNAXQG-FTRWYGJKSA-N 459.465 0.962 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1839173485 UEHOLQKIVLVQPD-QFIPXVFZSA-N 453.536 0.115 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1839174881 BNUOWCAUTBKSDT-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1839174908 CMVKOYCKVIBXPX-JOCHJYFZSA-N 462.503 0.245 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1839184852 GBVFCUMPNDEZAP-IEGUWTFLSA-N 468.595 0.897 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(N)=O)C3)C2)ccc1Br 1839401445 IIGHLEPJZGXSED-FQEVSTJZSA-N 479.331 0.656 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839889563 AYCXQUFOTWJOSL-IERDGZPVSA-N 491.532 0.930 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O1)CCO2 1840016436 DVIXHVIVWVQQKW-MVOHMCPASA-N 491.585 0.881 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840176103 VVMFLCYRTUHBIG-ZHRRBRCNSA-N 469.535 0.475 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1840228834 OPSHRDUCNPTBLL-LLJLJFOGSA-N 494.589 0.438 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)n1cncn1 1840416072 YVBQDGQCZCJOQS-WZONZLPQSA-N 452.515 0.800 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)nn1C 1840818041 HBVAQCVGPHOARC-DEOSSOPVSA-N 467.526 0.678 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840844114 DISBBEXFTZOVIZ-KYCQWFEFSA-N 491.585 0.738 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840946143 ZXSUGNSZTPUBLJ-NRFANRHFSA-N 453.511 0.815 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842873346 MTONNCDTQHTFGV-AWEZNQCLSA-N 460.468 0.384 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)CS(C)(=O)=O)C2)C(C)(C)S 1846301208 FHCSLQVOHHMKIK-CQSZACIVSA-N 463.622 0.836 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNCP(=O)(O)O 1847939562 IKZJBLDVUBFCLT-ILXRZTDVSA-N 460.468 0.382 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cccc(F)c2)c1=O 589160880 PHSBLNVMPPKGLJ-UHFFFAOYSA-N 471.535 0.984 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCS(C)(=O)=O 729673451 QAXNWCDTCGTQHJ-UHFFFAOYSA-N 477.608 0.227 30 20 JCED C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NCc1ccc(C#N)cc1 746567856 MGMHBZZUCUSGNY-OAHLLOKOSA-N 472.523 0.786 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)Cc1ccccc1C#N 916774762 ANXZYBIGKXVOJR-UHFFFAOYSA-N 479.536 0.848 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)cc1 918267436 SLQOLBHYXSOOTP-CJLVFECKSA-N 487.604 0.272 30 20 JCED CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C1CCN(C)CC1 920398723 JOYSTOJLVMRNFR-UHFFFAOYSA-N 472.615 0.344 30 20 JCED CS(=O)(=O)c1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1302429273 ZJXOQLKIXWLGCB-KRWDZBQOSA-N 458.544 0.775 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1303470502 QZXAWEZOQPJDDD-KRWDZBQOSA-N 459.532 0.785 30 20 JCED N#Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 1459722963 UJKBXTKLTDVAET-UHFFFAOYSA-N 455.496 0.834 30 20 JCED COCCN1C[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1712469022 LBJHOPQGZFFDPO-YRNRMSPPSA-N 467.596 0.513 30 20 JCED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CC1=O 1712469255 NCEKXXIDESGKPZ-GOSISDBHSA-N 481.557 0.782 30 20 JCED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1723890780 WHGBANSCPHHRCJ-AWEZNQCLSA-N 454.578 0.577 30 20 JCED CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)CC1 1743907352 PEXKVTUXEJQMQD-KRWDZBQOSA-N 452.563 0.990 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1746511141 ORUBRAZKDQBFPZ-UHFFFAOYSA-N 471.587 0.652 30 20 JCED CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1747531563 VXJGZHQMBFYVFH-UHFFFAOYSA-N 494.600 0.666 30 20 JCED CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1770360635 MGOAMHFXCCLUEZ-UHFFFAOYSA-N 472.575 0.262 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3cc(C)ccn3c2=O)C1 1778689371 BYZWYARXZZLDQX-QQFBFXKRSA-N 493.564 0.989 30 20 JCED Cn1c(=O)c2c(CC(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C3(C#N)CC3)C4)csc2n(C)c1=O 1780539259 KWQSPQBZNBJVLT-VOIUYBSRSA-N 499.593 0.659 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780802805 JRIKSRDMRFZDOH-TVKQPGBESA-N 460.597 0.629 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781114650 KOAZDCPFKFIMSA-YTZAWJCFSA-N 495.573 0.554 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782010450 OTOWETAGFWJBNY-UTBIRPSLSA-N 493.557 0.206 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C1)C2 1782852208 UTQLRZUAAOOHOW-HOYKHHGWSA-N 454.527 0.866 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C[C@H]2OCC[C@H]21 1783535440 DETGYVOJJSQGLP-MXEPURNFSA-N 491.541 0.319 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1785573390 VVKWWLNRJAASFO-MBSDFSHPSA-N 457.531 0.766 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1786843921 HZNIFYFQPHODSG-OKYOBFRVSA-N 494.637 0.490 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3NC(=O)C4=O)[C@H]2C1 1788436425 OZKZFQDWAIMOND-MGHWNKPDSA-N 455.511 0.988 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637429 JYKJHDFYHMTAQB-JPLJXNOCSA-N 479.574 0.508 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)C(=O)Nc1cccnc1 1788716206 SFUJTULAPBKXQH-WGOODIMQSA-N 459.503 0.529 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1790173733 MFEKDAUTZYDWAY-OZIGNCPNSA-N 472.542 0.924 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3C(=O)N(Cc3cccs3)CC4)C[C@@H]21 1790793989 RMLNTXJHMPRTMF-SNRMKQJTSA-N 467.551 0.827 30 20 JCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1791270723 UMGSOCJIYIPRER-FSGKZVOOSA-N 463.575 0.997 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)C(C)C)C[C@@H]21 1792255386 KGLIUAIKBZNULL-OYSTVDSJSA-N 451.564 0.900 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792629082 KKHKLDZMHBQFMT-YYIAUSFCSA-N 450.536 0.762 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCNC3=O)ccc1F 1794972391 DIMSPMNODKPIET-VPTLXERWSA-N 466.473 0.083 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNCP(=O)(O)O)c1 1795522098 JYKFNALDQRCARO-KUZCPNRJSA-N 450.432 0.242 30 20 JCED CCc1nn(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)c1I 1795906982 KPRLJXIVUAGSJW-QHBPRCKVSA-N 471.299 0.704 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1797783745 FNHHRNVKIWQUNZ-RXDLHWJPSA-N 495.620 0.910 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1797784386 CJCXAEZMKQRVEX-DUXQTRJFSA-N 457.571 0.676 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C3)c1 1798577033 RPNQETYHITZLKP-HNJRGHQBSA-N 488.541 0.656 30 20 JCED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c([N+](=O)[O-])cc1O 1798594868 REVZUTHWSNZYRS-HBCWATKFSA-N 475.502 0.794 30 20 JCED CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)ccn1 1798686270 ATVKTBHZJGYCJZ-GTZTZOHHSA-N 474.514 0.991 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799151852 UJSZJBXOUVDSGR-DKYZXHQASA-N 462.547 0.506 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1799391250 KFWBVDLODUBCQI-BOQPXBONSA-N 496.605 0.995 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1800045892 UQZVMZPDMCUFGS-FZKCQIBNSA-N 465.503 0.559 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=S)NCC)N(C(=O)OC(C)(C)C)C1 1800186627 CGXMWNXEQUSQSS-ZMMAXQRCSA-N 495.646 0.626 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1802040772 QASAPWUXFFDJSL-MXNKGDRCSA-N 487.576 0.744 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)noc1N)C2 1802128069 XPCSSHJYCVTXIB-IVSAIRAKSA-N 461.519 0.685 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)[C@@H]1c1cccnc1 1804569358 ULOSITURJJTYPH-RCDCFZSISA-N 465.466 0.182 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2c2cccnc2)c1 1807193216 CTVZKVYFGLMHON-PIPMEXSNSA-N 464.526 0.874 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807947027 XPXLCCYEEBMXJI-UWWQBHOKSA-N 466.502 0.100 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)c(C#N)c1 1808165133 TYZZAWFKQIIUJF-WGGBDISSSA-N 490.520 0.808 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]3c3cccnc3)c2c1 1812069588 FWFADJUHSPFMKT-TVTNDZMWSA-N 474.525 0.742 30 20 JCED O=C(Cn1ccncc1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1812343382 XIECMSRPMUMIHP-NOEUGVLTSA-N 468.514 0.873 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814979643 LUNHYGNKKVXLGL-UKRRQHHQSA-N 450.565 0.488 30 20 JCED COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)c(C#N)c1 1815066502 HMVINNQOLSTAFT-GDBMZVCRSA-N 470.555 0.771 30 20 JCED Cc1cn(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=N/O[C@@H]4CCCCO4)sc3C2)c(=O)nc1O 1819908044 VQSBYKLJTODHBK-WWHOPUCKSA-N 490.542 0.855 30 20 JCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)CC1 1825235025 YQSBLGHTYDOTMK-CRAIPNDOSA-N 456.499 0.700 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)COCCO)CCN2C(=O)OCc1ccccc1 1829231962 LYQFXGOVXVKBBN-DEOSSOPVSA-N 457.527 0.861 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCN3CCOCC3)C2)C1 1829262483 RHNQKDOGCVPAQW-RUZDIDTESA-N 468.554 0.794 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(OC)nc3)C2)C1 1829764595 OWAUPXHKDVWDHG-NKJPNPRLSA-N 472.542 0.338 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829831704 PRPBSKFALJROCL-RGZWJVDOSA-N 491.541 0.686 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831200367 AHMRTDFYGCEAGB-NMWDDECMSA-N 451.568 0.221 30 20 JCED CCn1c(-n2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2C)cccc1=O 1831216034 WZYBBCIBMXFKBT-AREMUKBSSA-N 493.564 0.846 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)C1 1831386583 AUMVKBZLZMYMPF-UTSGNWPNSA-N 455.511 0.674 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1831411531 VNFWJZXBNVWOAK-HSZRJFAPSA-N 462.547 0.978 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2 1832015186 MGPCOZRIPRLAFJ-XMMPIXPASA-N 485.924 0.463 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832493889 WPCXAOHALQBUBA-FUXKOTGBSA-N 471.510 0.141 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1nc(-c3ccc(F)cc3)no1)CCO2 1832899783 UBCHONIHLZAQIA-QHCPKHFHSA-N 486.456 0.353 30 20 JCED CN1CCN(c2ccc(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)cc2)CC1 1833057894 IWSXZWXWIFTPTM-UHFFFAOYSA-N 481.597 0.712 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1833074847 GHQGDCNRSOPPHS-QYDDKUKRSA-N 490.630 0.219 30 20 JCED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn1 1833815700 SEAODPUFHOMCGS-HSZRJFAPSA-N 461.482 0.917 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C)n(C)n2)CCO3)c(C#N)c1 1834121944 QEKBUAYQTOQUQL-XMMPIXPASA-N 467.526 0.922 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835122265 CPQVYLNUDQPNNY-HRJSYZDASA-N 465.595 0.954 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835377480 ZIRWWQHURQDFQH-UZBYXMDDSA-N 452.552 0.458 30 20 JCED Cn1nc(C(F)(F)F)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677618 LUFVYXSBEJAGLD-FQEVSTJZSA-N 486.495 0.791 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1)c1ccccc1 1836135911 DZJQEXSOHJCZQP-QPPBQGQZSA-N 451.527 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C)c3ncccc13)CCO2 1837186900 NEEOSGBDGFSVGE-WNWNSBFKSA-N 467.526 0.502 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1837403822 RYIBKFXZPOHBNT-STWLZBDKSA-N 470.570 0.782 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837440899 FYLFXCXXHAURJV-PXYXSCDOSA-N 464.498 0.324 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488421 DOINTURHCMQOQG-QHCPKHFHSA-N 460.531 0.197 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837489888 XKYPNLXIEISHGO-DEOSSOPVSA-N 467.526 0.498 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1 1837490367 ALFYLHHKSNZNPB-DEOSSOPVSA-N 472.542 0.644 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cnc1Cl)CCO2 1837852723 ZBMHMGRCHJPYFN-VKUXZERMSA-N 466.897 0.803 30 20 JCED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1837955637 YEVBVCVHMFNMLQ-ROZQTZPBSA-N 462.503 0.689 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838763738 MRTDJSKFDGOWGQ-FQEVSTJZSA-N 463.416 0.945 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1839109874 YSIMMZJKTRSXTI-DFIYOIEZSA-N 493.601 0.864 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NNc3ccccc3)C2)C1 1839172692 XCNITYUJPISXIK-CYFREDJKSA-N 474.558 0.957 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1839190791 DYLRYKTYEGGMNW-PIBDYAPNSA-N 488.585 0.909 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)cc(C(F)(F)F)c1 1839442975 JWTFDIYVSACHOD-LAUBAEHRSA-N 480.443 0.926 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839552079 FQAHOELTKBBESZ-FPHRNUPISA-N 471.514 0.933 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839621246 LFWWBOCFANUKCZ-JPYJTQIMSA-N 461.563 0.380 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)[S@@](=O)c1ccccc1)CCO2 1839671034 NEQTXGBWVMDLJG-GLUYZKGLSA-N 489.594 0.498 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839779656 IPVDOQNTCGEORD-DENIHFKCSA-N 480.970 0.725 30 20 JCED C[C@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)N1C(=O)OC(C)(C)C 1840039905 CUAJEDFVSZKFMX-QQMNAOGKSA-N 479.530 0.319 30 20 JCED Cc1cc(Br)sc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042991 AUZIPEUNPGWXNV-GOSISDBHSA-N 471.329 0.977 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044672 QWMOBZNVXMHRLZ-DPSWKAHMSA-N 491.541 0.178 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1840293898 AYLYPMHDDJKQHB-DEOSSOPVSA-N 483.525 0.942 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840356830 FGQWCZVUBKHOQG-WZONZLPQSA-N 492.577 0.594 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840363283 RFQJVPMBTPJJFK-UQBPGWFLSA-N 470.570 0.670 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1)NC(=O)OC(C)(C)C 1840795457 JGBXUMLCFBEXOI-MBSDFSHPSA-N 485.578 0.311 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CC1 1840805805 GWIMMMUFFGQKLY-XMMPIXPASA-N 493.605 0.545 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1840909430 ZLQSPHRCCKHHNZ-CYFREDJKSA-N 488.541 0.774 30 20 JCED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 491790867 UAQQEVLRINLWMT-UHFFFAOYSA-N 484.581 0.162 30 20 JCED N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CC1 510992592 UFIPXKXEUXHYBW-SFHVURJKSA-N 455.496 0.651 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C1CCN(C)CC1 518716195 FBSLWGOFLHPJAQ-UHFFFAOYSA-N 484.578 0.213 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)cc1OC 518725880 AQXYOWCTXWNELI-UHFFFAOYSA-N 468.579 0.975 30 20 JCED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 521448220 GFQHBFNMOLVDBG-INIZCTEOSA-N 454.487 0.876 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)CC2)cc1 524035829 FZWZQYRBLFKCEP-UHFFFAOYSA-N 465.495 0.611 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(Cc3ccccc3)c2=O)o1 603790185 GPIZJTHUAWBLPT-UHFFFAOYSA-N 478.574 0.811 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828503 YQGKIVSLRDIPPO-OAHLLOKOSA-N 462.531 0.652 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(OC)nc1 608884561 MUAXUMHVELIKLO-AWEZNQCLSA-N 495.517 0.865 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCS(C)(=O)=O 729670891 ACBBMYMYBULHHK-UHFFFAOYSA-N 490.028 0.325 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3nc(-c4ccccc4)oc3=O)CC2)o1 915373228 XGZHDHDVFOHQLM-UHFFFAOYSA-N 452.427 0.563 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 916533662 SQWSKGQLQGQWHO-VBKZILBWSA-N 452.533 0.653 30 20 JCED CCOCCCNC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919664916 MVRHRMZIXVOTQA-WBVHZDCISA-N 463.512 0.875 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1137629995 JVFLLTTVAOEGKD-GDBMZVCRSA-N 456.590 0.824 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1293245225 YPKHTTIJCQRUEA-WMZOPIPTSA-N 458.544 0.878 30 20 JCED CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1503733179 JAOWGHTUZQNNAK-OAQYLSRUSA-N 475.575 0.583 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1=O 1504911371 SNEDPXWCGZBSAF-OAQYLSRUSA-N 467.574 0.959 30 20 JCED CS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1505147453 UUHWKWYXUGKHLW-KRWDZBQOSA-N 472.575 0.367 30 20 JCED CC(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508823658 ZIVNHODEVHXWHL-SFHVURJKSA-N 486.602 0.546 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCC(C)(C)O)CC2)c1C#N 1543001508 SJIHRKYSMRFAHX-UHFFFAOYSA-N 455.567 0.915 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1 1611308382 OUNKMYVBXPBUHU-HUUCEWRRSA-N 476.650 0.297 30 20 JCED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1693751770 YMEYKMRCUIIJJT-DOTOQJQBSA-N 457.560 0.765 30 20 JCED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1697895080 VVBKHPWHACZZPD-GOSISDBHSA-N 461.544 0.608 30 20 JCED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)CC(=O)N1C 1726670495 DTRKSGUNRMDYDO-MRXNPFEDSA-N 489.627 0.862 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CCN1S(C)(=O)=O 1731150599 QNUUZQYJFWUNHJ-ZDUSSCGKSA-N 485.492 0.965 30 20 JCED CCC(CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1743998107 VLOVRQAOMAPYFU-FHWLQOOXSA-N 483.639 0.706 30 20 JCED Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)s1 1751582276 ZXRLETSZGPEGFI-HUUCEWRRSA-N 452.562 0.859 30 20 JCED COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1771112330 LVPWMVYKTLAWNL-FQEVSTJZSA-N 451.524 0.924 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cccnc2)C1 1778057703 JJDVAHPBHJNDLX-DCLXLUIPSA-N 456.591 0.747 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779102038 SMUGFUPXSSQMHV-JGYVSQDVSA-N 477.474 0.971 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1 1779105148 RAYJWMOWPVFROF-VWMKTKPBSA-N 493.582 0.992 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(c2)CNC3=O)C1 1779157535 CCZBSIFXYQXSFD-HATYLDILSA-N 466.538 0.916 30 20 JCED CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779419561 AZZHLVVRWFYFPX-QWZDUJMOSA-N 459.565 0.464 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781350126 WKPRNMHMXKBHCI-YVHKJVDXSA-N 455.552 0.683 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1Cc3[nH]nc(C(F)(F)F)c3C1)C2 1782015509 RNRQFVFEUYCNOC-PGICJIBASA-N 468.432 0.745 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)N2CCOCC2)CCO3)cc(C(F)(F)F)c1 1782034694 ZZTTYMWRYSBGDB-PZJWPPBQSA-N 482.459 0.671 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1782787107 LIFHRRSJUZFVDL-JOCHJYFZSA-N 451.439 0.772 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1783478923 TWMNVHOPKPRYHF-CKBXSBTMSA-N 464.563 0.888 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(Br)c1 1783557593 IOQXSPANNPULHR-FQEVSTJZSA-N 465.300 0.918 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(Br)cc3cn[nH]c13)CCO2 1783565424 SVLYSDQQZPXSJT-LJQANCHMSA-N 461.272 0.857 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)[C@H]2OCC[C@H]21 1783567718 WXJWRVIPBKRECQ-RYFDGZFISA-N 491.541 0.319 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3CS(C)(=O)=O)C[C@@H]21 1784479048 VLFMWZJBFCSFAJ-JMVFIXPQSA-N 463.556 0.258 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784519528 WXJUYPJVBPLCKI-VJKQGGSISA-N 459.565 0.176 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785346091 ZMIJNKCFHGTPEP-DVECYGJZSA-N 480.606 0.960 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC)[C@H]2C1 1786495756 DLCMSUMDGWWMLA-XSLAGTTESA-N 498.577 0.418 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1786648911 GGVYEBPZCUWRHR-XSLAGTTESA-N 485.603 0.576 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787494919 OYWCSGGIAKJJBT-OJFNHCPVSA-N 452.577 0.342 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)C=C)[C@H]2C1 1788758494 CJXUJFCKNPCKNF-BCYZHJNNSA-N 476.574 0.573 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788812956 BZFGCUYHSQIIQA-DALGOHPFSA-N 450.452 0.440 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1789098659 GGCZTTZYIDDWDE-HAGHYFMRSA-N 472.542 0.830 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@H]4NC(=O)NC4=O)C[C@@H]32)c1Cl 1789267440 GFSIKWFOBZJWGO-HNKHHVNMSA-N 459.890 0.403 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCS(=O)(=O)C34CN(C(=O)OC(C)(C)C)C4)[C@H]2C1 1791029330 KUWLQYUOBLVTKU-FJIDUMEYSA-N 495.598 0.024 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1791044906 OROQXTPDNXZMNC-STFUBORGSA-N 475.542 0.701 30 20 JCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C[C@@H]21 1791270647 NYWLLRMOLASVCX-SZMVWBNQSA-N 486.594 0.624 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1792777766 LCZUTPRCEVBOOK-KPJFKLOUSA-N 490.560 0.870 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1793005488 VNRLJIDDEONBEH-NLQQGEAXSA-N 450.536 0.369 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)c(CC)nn1C)C2 1793342576 LLEFEWUCJKPPQH-VWPFQQQWSA-N 467.364 0.987 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1793347519 FHQJYFFCRWXBDW-IHEQNBGGSA-N 472.542 0.250 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)C2 1793349540 BKYHETHQRZSTGN-DFBDCSAJSA-N 469.604 0.871 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1793389632 WZMIZSCSAYTEMM-SSRUIJIPSA-N 472.608 0.299 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C3)c(O)n1 1794489833 JHSMILLFDWBHDS-NNXQTKTDSA-N 487.582 0.911 30 20 JCED CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1795185522 AFZGVNIFVTUJAX-YALNPMBYSA-N 458.625 0.739 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCNC2=N)c(C(F)(F)F)n1 1795577955 BWOALVDIPDYUKJ-DRXBFXEBSA-N 465.436 0.015 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1795599098 SYGBJZDBYAQLSR-BMQTXXJKSA-N 455.515 0.593 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1797119941 KFTINNBNHILLMQ-XRNRSJMDSA-N 481.590 0.785 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(S(C)(=O)=O)CC1 1797705581 DUITWGRPXDGROL-BCDXTJNWSA-N 453.609 0.578 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1797709860 FFULKXQLFZXXDK-CXHZTBPHSA-N 460.556 0.902 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1797713528 RNUPELLKTSPZCE-NNNWTRQLSA-N 456.543 0.503 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccccc1=O 1797938595 OSPDGGCDMOUHPM-RFBJODPTSA-N 486.569 0.916 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)cc1F 1798695892 RUGNAEJDTJLVFK-CCWDJLKJSA-N 460.487 0.946 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)=NO2)C1 1800710319 COYDOHZTFAAEOD-SCAQPMJSSA-N 473.530 0.646 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C[C@H]2OCC[C@H]21 1800763777 OZWUCACLHVWUDY-ZGRIBIJBSA-N 462.547 0.904 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1800836461 CGDKUIXUENAXMB-OOOWVJFSSA-N 499.630 0.941 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1800981941 TWPWXKVIWYWOCI-HAEOWDPNSA-N 457.593 0.512 30 20 JCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1801166937 VNJHYCCYYGOATQ-UPHUGPLXSA-N 486.594 0.624 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4c(=O)[nH]c5ccccc5n4n2)C3)CCC1 1801980916 SJTLGGZLGVJLMA-XOIINTDNSA-N 461.482 0.468 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2 1802125654 MOVXBBMNOKIACC-YALNPMBYSA-N 459.503 0.302 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 1806900160 ZANSLGIATRDZGI-QGZVFWFLSA-N 486.573 0.256 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807945475 ZMQJLQSVJQDINY-DDUZABMNSA-N 452.475 0.118 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)CC1 1814035873 BGQFMILRRSXARX-XXBNENTESA-N 499.568 0.728 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1816981012 SWMJKKGSQULPHR-PWSUYJOCSA-N 452.489 0.029 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1824459699 UYLVBHRQWQKCRQ-KNQDNGMZSA-N 468.620 0.792 30 20 JCED N#Cc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)cc1 1825318846 CILMDMYHAVMCFV-KRWDZBQOSA-N 457.556 0.456 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828632116 DUUIBWINHWBFSB-KOSHJBKYSA-N 483.525 0.613 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1828927278 QDZNNUTURXOVJT-CYFREDJKSA-N 467.526 0.878 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cncn1)CCN2C(=O)OCc1ccccc1 1829012781 DMUOEUPWKKIAIM-QFIPXVFZSA-N 451.487 0.644 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1829267357 VLFMEVQHOOCICW-BWKNWUBXSA-N 499.520 0.567 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829631194 HQKYGHWLFWSFMA-URXFXBBRSA-N 472.542 0.098 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Sc3ccccn3)C2)C1 1829773818 WTDUILTUUKZOAW-VQLQEPDVSA-N 474.583 0.877 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c1 1830458176 MEOGGKLNTGHPIP-DEOSSOPVSA-N 450.495 0.894 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1830467200 XIJSVYZEYOEEMT-QHCPKHFHSA-N 461.946 0.480 30 20 JCED CC(C)(C)OC(=O)NCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)CCOCC1 1831109388 CSDLDQWIPHWWPB-QHCPKHFHSA-N 480.562 0.678 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831175699 UUHCOEGXRUUVGE-HOYKHHGWSA-N 456.543 0.862 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832357052 LMPNGVPYPWMXIT-YFVWZTGESA-N 486.569 0.946 30 20 JCED Cc1noc(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1832558557 ZZKUOAZBKVYTNZ-BPHSFESTSA-N 464.519 0.819 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccnc(OC)c3)CCO2)C1 1832596200 TVAMTIAMVXJDSY-DEOSSOPVSA-N 475.542 0.989 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)cc1C#N 1832701621 KRHNRFPCNCRMJM-MHECFPHRSA-N 499.524 0.014 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CS(=O)(=O)CC)C3)C2)c(O)n1 1833695638 DWTDHGFWMUNHBV-JOCHJYFZSA-N 481.571 0.411 30 20 JCED Cc1ccc(-n2ccnn2)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835345898 JCMWUYXJFCCVGX-QHCPKHFHSA-N 450.499 0.950 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1835682430 ICBVKWZXXZGIKF-VWLOTQADSA-N 484.601 0.122 30 20 JCED CC(C)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(C)C 1835893869 FYMXKHGOKJVMTR-XXBNENTESA-N 451.612 0.747 30 20 JCED Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1835988975 CEWOMHBJHKIRDK-UEVPCVAJSA-N 463.535 0.338 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C[C@@H](F)C1 1836621855 MRBNOAXXXSFDSG-YGKZAACZSA-N 497.520 0.126 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836780167 CMEFWAOSIUOLLR-HOYKHHGWSA-N 471.558 0.855 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1837430123 KBNMLFORPQGZNU-GGAORHGYSA-N 481.666 0.145 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837446574 DIDCJVXSRLCUOY-GVFUYMABSA-N 460.579 0.818 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837490773 AJFVMRRNJBHTAT-DEOSSOPVSA-N 467.526 0.727 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1837531136 WXOISIFOQUNYAP-COQMUBBDSA-N 471.514 0.933 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838404881 SRNVXFMSURSNGJ-HTAPYJJXSA-N 454.568 0.437 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838740698 QQXXKRZQMSXWJH-QMHKHESXSA-N 466.498 0.170 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1cc(F)c(F)c(F)c1)NC(C)=O)CCO2 1839043848 WLSANWBOBUDDFC-GCJKJVERSA-N 467.444 0.241 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)N4C[C@H]5C[C@H]5C4)C3)C2)c(C#N)c1 1839133117 ZLQASWLMBOKDKQ-TXDLGXNGSA-N 482.581 0.906 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)CC1 1839420687 XQMQRBZYPXTTQT-DEOSSOPVSA-N 473.549 0.405 30 20 JCED COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839424734 AEFUVFNVEHZBAI-FQEVSTJZSA-N 450.879 0.638 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840042829 QEGGEBSTLBCBNW-HOYKHHGWSA-N 493.557 0.568 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-c4ccc(O)nn4)cc3)C2)C1 1840043733 QUNTZKPEIOHCNE-QHCPKHFHSA-N 466.450 0.007 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1840157728 YPJYLKWBYLKDMO-GWJPWWOOSA-N 461.584 0.810 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)CCO2 1840881796 OCTKJINEYZSPJK-LYXWCMDISA-N 479.574 0.784 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1840909045 LQELMJCXRBXDPY-GAJHUEQPSA-N 473.530 0.463 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C1)C2 1844215541 RQDBJHWASLBLHX-JKSUJKDBSA-N 493.561 0.131 30 20 JCED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@H](O)N3CCOCC3)C2)ccc1Br 1844296912 ILHSAQLQDRKFJO-SFHVURJKSA-N 463.332 0.788 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@H](NC)C(=O)O)C2 1845132040 TYKDGOVBPFAAMV-SJORKVTESA-N 464.563 0.949 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)C1 1845884381 FOZRYXXAXTZSCS-HNNXBMFYSA-N 499.572 0.903 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846142678 DKLOJJBSBPITFW-KZNAEPCWSA-N 475.542 0.940 30 20 JCED CC(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)C1 10752283 KELMXJZZGDMYKG-HNNXBMFYSA-N 450.517 0.897 30 20 JCED N#CCCNC(=O)COC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 16537213 PBUSUDGBQJCKJM-UHFFFAOYSA-N 450.473 0.342 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)c1 31807090 GXCJZRSGJVEYOH-UHFFFAOYSA-N 486.506 0.242 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c(OC)c1OC 590998886 RUWYZRANHWQMSX-UHFFFAOYSA-N 471.535 0.632 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cscn3)c2=O)cn1 608884203 NOIUHBUQUUBKCT-UHFFFAOYSA-N 455.521 0.121 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 727008804 VNTMSJLZDZHIQN-UHFFFAOYSA-N 488.497 0.503 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)nc1 727162954 CUYIAAQAMPBIIS-UHFFFAOYSA-N 472.958 0.727 30 20 JCED COc1cc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc(OC)c1OCC(N)=O 727971639 DTMGBKLXYSXNOM-UHFFFAOYSA-N 491.570 0.950 30 20 JCED C[C@@](C#N)(NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C1CC1 748125455 GMKQAYXAFHUUAF-ALKREAHSSA-N 455.920 0.816 30 20 JCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 917033745 CAGYQNQNHXZQFB-FQEVSTJZSA-N 484.534 0.497 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 917763117 MYSWWVGNNFDOLD-UHFFFAOYSA-N 459.531 0.915 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 918428957 FJNWJJDWQAGILF-LHLOQNFPSA-N 498.565 0.818 30 20 JCED CSc1nc(C2CC2)cc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 919986344 GRLAUKJZNFGFKE-CQSZACIVSA-N 484.625 0.827 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920416284 UFGBQGVJLZCZAS-CYBMUJFWSA-N 454.461 0.551 30 20 JCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359082923 XUFMBJJKORQNOJ-OAHLLOKOSA-N 466.384 0.882 30 20 JCED CC(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359641402 NPLVYDXACUEKHV-DLBZAZTESA-N 453.551 0.931 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1463883803 KFNMFGJYMHGIDE-OXJNMPFZSA-N 455.540 0.596 30 20 JCED CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1617307143 MTOZEPYSFPIGAU-AWEZNQCLSA-N 454.578 0.831 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)NCCO)CC1 1642591128 NVZTVGSNYDWMPA-QGZVFWFLSA-N 450.561 0.487 30 20 JCED CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695353745 VBTHHVRTNVICCD-KRWDZBQOSA-N 460.564 0.614 30 20 JCED N#Cc1c(F)cccc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC1 1712877551 OGJVIDXCLGGHFI-HNNXBMFYSA-N 476.463 0.948 30 20 JCED CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCS(=O)(=O)CC2)CC1 1724010253 MLOINMTTYHPRGO-UHFFFAOYSA-N 450.565 0.470 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1728266806 XAEWETBWHPMRES-SFHVURJKSA-N 489.602 0.973 30 20 JCED CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1728766267 PERNCDAOYFDDHS-FCHUYYIVSA-N 475.571 0.988 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 1750193268 OWJOTIRLXXBKHC-ZBFHGGJFSA-N 465.557 0.512 30 20 JCED CC(C)(C)OC(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750506874 CXOXEWQXAFWDQJ-RDJZCZTQSA-N 479.607 0.881 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C1 1778077380 KRMGVRUOPBWVNG-CKMZEAMESA-N 477.587 0.161 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778938870 BNDNIGWBEZLDDS-WAIKUNEKSA-N 475.546 0.389 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104017 ATXAEQGUYZZJQR-FYHILUAMSA-N 498.577 0.621 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1779422401 ZATPVUBJQRFJIQ-GNYUIWMWSA-N 487.517 0.074 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4I)C3)C2)CC1 1779544879 WIMGAGUCCDKTQS-INIZCTEOSA-N 455.256 0.762 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)cc(OC)c2)C1 1780087518 JBFCJTGDHAAILO-KKLQWCBXSA-N 474.514 0.759 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780156867 UJBDPQGXIASCJO-DEOSSOPVSA-N 472.542 0.561 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781859307 QNNMEAKFVKYCNB-VMYBJKTBSA-N 450.492 0.372 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)C(=O)Nc5cccnc5)CCO4)C3)c2c1 1782195478 VXFANPKIMVBPSR-HSZRJFAPSA-N 459.466 0.912 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)C(F)(F)F)C1 1782232795 OKDWIFOSHGROHJ-LFSDFAJISA-N 460.453 0.037 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/C(=O)c1cccs1)C2 1782313737 YLZGHSDFAZFTMH-YDAQHGTASA-N 471.535 0.926 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1782467901 OQYBUAWSZWMQMF-YOSAUDMPSA-N 487.605 0.253 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(=O)(=O)N4CCCC4)C[C@@H]32)cc1 1783603774 UOJWQFPKJVDDTP-ACRUOGEOSA-N 474.583 0.506 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1783682662 TXLBNCGKFHRKRO-JOCHJYFZSA-N 464.519 0.026 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1783883428 IDTFRDZNZXOJAX-WCJKSRRJSA-N 484.550 0.003 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783912037 FEDAXCHJBMTHJI-MHECFPHRSA-N 493.605 0.962 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)C1 1784011871 RUNBDUYXRDMXKT-DHIUTWEWSA-N 462.547 0.882 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1784309827 BTSBJCJGNBZECS-KDLAUNOPSA-N 489.573 0.714 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)CN5C(=O)CSC5=S)C4)C3)c2c1 1785546686 JEXDAMWGLGFFLZ-NRFANRHFSA-N 484.563 0.738 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1787521027 AXZXFJZXQYQSOA-BPODSCFKSA-N 452.515 0.895 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21 1788573385 VPTMJGBNBGMWDV-FKSLSLAPSA-N 454.520 0.034 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2ccc(C#N)cc2)CC1 1792424573 IGGOPOCIHSUEJW-IUTQVRIDSA-N 488.610 0.752 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cccc(N2CCOCC2)n1 1796617872 CNPAPSZUYJFBJV-MNRZRQKZSA-N 487.557 0.650 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)ccc21 1796982717 DWIZAVLOCMDHQK-RAHWQWPXSA-N 468.558 0.552 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C 1797117516 HXJVKQNLTWBHNH-ZBLLQYKHSA-N 467.538 0.962 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797743585 DCNHIYFOWSRZST-RJBGGQOTSA-N 475.590 0.964 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)C2)[C@@H](O)N1CCOCC1 1797810181 RMZXFKVDOGYMCD-KALPRAJFSA-N 489.572 0.940 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2 1799232402 FZMDAWYRYIAQPM-RCLSDMTESA-N 478.590 0.799 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)[C@H]2OCC[C@H]21 1800835763 BNGBUHJXYPOPDT-WSYNCDOCSA-N 491.541 0.079 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2)C(C)(C)S 1800907921 NVAOBAABNUGJTB-DLTLXFJOSA-N 495.602 0.575 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2c1C(=O)N(Cc1cccs1)CC2 1801178465 ZOORPFPHYYAOLD-MUJYYYPQSA-N 481.534 0.940 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2 1802025083 HTDQNYXJKNAZOS-NYUBLWNDSA-N 478.590 0.751 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1803506257 IHXBKUDUEIPHQK-NQYYFHDYSA-N 466.604 0.988 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806699959 YTJSNMIIMIAUMO-UHFFFAOYSA-N 467.636 0.230 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1807738912 XJVGYPIMYFLXNA-UZLBHIALSA-N 499.597 0.835 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C#N)CC3)n[nH]2)n(C)c1=O 1817108669 KSGPHJSJZTVHSL-AWEZNQCLSA-N 479.501 0.153 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 1829332490 NVMQFXRQFICICB-VWLOTQADSA-N 496.520 0.149 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1829334857 OHQKACYFEFIFOH-RUZDIDTESA-N 492.488 0.474 30 20 JCED Cn1cc(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cn1 1829395863 KGNVZYRGKSAAMC-VWLOTQADSA-N 493.520 0.503 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829631212 HQKYGHWLFWSFMA-ZJSXRUAMSA-N 472.542 0.098 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cccnc3)C2)C1 1829765000 DUFPOHNCEWJVKD-YRTIDYAOSA-N 457.531 0.197 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)cc1 1829903276 NSTUPTVUBRYDMR-IBLIISRWSA-N 452.511 0.392 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1829907761 PUYZZSVRZRAVOR-FQEVSTJZSA-N 468.432 0.236 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831175703 UUHCOEGXRUUVGE-MHECFPHRSA-N 456.543 0.862 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(N4CCCC4)ccn3)C2)C1 1831391407 AOTUVZCVFLESKL-NTKDMRAZSA-N 456.543 0.790 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831392328 KEDUPMXZPXTWGZ-IMWIBFENSA-N 479.574 0.738 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1831427743 UVQDJJUVUFIDRM-HRAATJIYSA-N 450.492 0.359 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccn(C)c2=O)CCO3)c1 1831887854 JHNRBESRYKGUKO-DEOSSOPVSA-N 466.494 0.649 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1831997902 HSXNFBBWJVQRFE-VGSWGCGISA-N 478.550 0.204 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1832000341 MZHAJBDAWHYXSB-HKARXFIJSA-N 497.593 0.359 30 20 JCED CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832468262 HNEBDBNGNSPBHX-BKMJKUGQSA-N 483.613 0.781 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4CC(=O)N(Cc5cccs5)C4)CCO3)C2)CC1 1832750400 VZVQRZDHGHMAMB-GAJHUEQPSA-N 472.567 0.857 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1cccs1 1833031515 KLQKYBPJWKYNIJ-JBMWNJKUSA-N 474.539 0.646 30 20 JCED O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)CN1 1833123565 VPWBPCQXNFPBEU-LQDRLVSNSA-N 463.579 0.613 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncn(-c5cccc(F)c5)n4)CCO3)C2)c1 1833353515 BEUAHEMSEAMPFT-QHCPKHFHSA-N 479.472 0.990 30 20 JCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c(F)c1 1833631803 BEJGEZWSXPKUCN-VCGLIYPTSA-N 480.493 0.828 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn(C)c4=O)C3)C2)c(O)n1 1833697127 WJNNTFWVBGPZRY-VWLOTQADSA-N 482.537 0.988 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c(O)n1 1833699336 YVMHTRIDSMSQCY-JOCHJYFZSA-N 456.503 0.268 30 20 JCED C=CC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 1833777084 ZZWVFEVUSBRINZ-QGZVFWFLSA-N 499.616 0.218 30 20 JCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833833144 IFMJQUSFSGIPOG-MRXNPFEDSA-N 455.559 0.978 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1834715158 HCBQVBSXGGSNBO-UHFFFAOYSA-N 459.551 0.355 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCCC2=O)CCO3)c1 1835405568 ARWGVRJHMATQLX-XMMPIXPASA-N 454.527 0.570 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)c(C#N)c1 1835707293 ZIRCSUWWWPRNJH-ZCYQVOJMSA-N 479.537 0.661 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1)N1CCN(C)CC1 1835731665 PHKXRISBPQQNPA-NBHLSZMOSA-N 475.682 0.666 30 20 JCED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)C(=O)O 1835760535 ZHROSLRXHOIKGZ-BCSBQKBHSA-N 465.528 0.006 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)cc1 1837247577 WUAFQZFUVWIIOV-WEHRJKGCSA-N 452.511 0.392 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837381777 IZGJRNCVCHNQRW-DEEAVJJBSA-N 478.571 0.651 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc1 1837497263 TYZSTAZJQQRZCZ-MHZLTWQESA-N 497.592 0.880 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837566771 LMKZULZIRUKWQX-MZLJXYOKSA-N 484.509 0.925 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CSCSC1)CCO2 1837569118 GVAKSIWBBFOOOC-MBOZVWFJSA-N 457.618 0.524 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](COC)NC(C)=O)CCO3)c(O)n1 1837727729 RVUDKBLQAFDFNK-HYBUGGRVSA-N 490.557 0.127 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)cc2NC1=O 1838588206 OYBMIRKBCSDUSL-RMQUPCGASA-N 499.568 0.948 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])CCO2)C1 1838602299 ZGXSQVRHQDWUKA-QRQCRPRQSA-N 479.486 0.970 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838808483 AAALMVNLWDAINR-SBUREZEXSA-N 492.529 0.154 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839080995 RYTRWMPTVJNKDM-REHUZNOOSA-N 463.575 0.827 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839351992 NQYXEABQGXEIPO-QHCPKHFHSA-N 459.499 0.365 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)c(OC)c1O)CCO2 1839376965 BRESLYLRGUTPKZ-XMMPIXPASA-N 492.525 0.989 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C3)C2)c1 1839450804 HTKRCLSXACOZAE-VGSWGCGISA-N 463.556 0.617 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839624911 SXSWPOWKVFLQKB-AOMKIAJQSA-N 461.494 0.512 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839687019 VYNFLQVYAVJOBD-SBUREZEXSA-N 475.498 0.955 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnc4cc(Br)ccc4c3=O)C2)C1 1839806592 UFTLKKLUPIKSPP-OAQYLSRUSA-N 489.326 0.249 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CNC(=O)C4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839874649 FWYXRWHQOKIDHK-XFAGBWLFSA-N 492.573 0.145 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043670 NSFFLESMMSMDCE-GAJHUEQPSA-N 479.530 0.390 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C(F)(F)F)c3)C2)C1 1840044786 XWWJFJRTMPHLCV-FQEVSTJZSA-N 472.391 0.931 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncon4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251555 LFAJUTYIQOZTKD-AOMKIAJQSA-N 477.518 0.705 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3nccnc3CN1C(=O)OC(C)(C)C)CCO2 1840366682 RLRWTAYBFPDIMH-CYFREDJKSA-N 485.541 0.228 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840431571 LEUZBWMXVIMLEH-JAQCGGCRSA-N 463.535 0.505 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC)NC(=O)OC(C)(C)C)CCO2 1840803626 OSMHVJPIFVTBAH-NSPFCHEASA-N 494.589 0.605 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1840840592 WXBZEVSJRCCGOS-MBSDFSHPSA-N 459.568 0.966 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1840907062 OOTHSEDAJFBVKR-DVECYGJZSA-N 489.573 0.565 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1840913712 LTAZSJGSLZUKRD-YFLMOKSQSA-N 491.585 0.805 30 20 JCED C=CCSCC(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845013544 HAWJOPUMZNCCAG-UHFFFAOYSA-N 462.597 0.964 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(CC(=O)NC(C)C)CC3)nnc12 485944709 MFFVOSDZDXMOQU-UHFFFAOYSA-N 483.598 0.991 30 20 JCED COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1NC(C)=O 516443674 IHOKUSFVAFOIMY-UHFFFAOYSA-N 485.522 0.997 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCNS(C)(=O)=O 524281025 BNRHLKXYIOUDGV-UHFFFAOYSA-N 485.534 0.789 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O 524282653 COALMMLFMIRVNS-UHFFFAOYSA-N 466.441 0.141 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cc1 603795717 GGYKXWPDRHHZQX-UHFFFAOYSA-N 470.595 0.526 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2c(F)cccc2F)c1=O 603796952 RUUZFKOHXCCCTB-UHFFFAOYSA-N 462.522 0.549 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c1 603993003 CZHFTLAZVPFLJG-UHFFFAOYSA-N 456.568 0.187 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 609090511 BKXTVQOMWAPAAF-UHFFFAOYSA-N 480.554 0.812 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N1CCSCC1 730551196 VFKNEEXQERTLDI-INIZCTEOSA-N 488.657 0.635 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2C(F)(F)F)c1=O 916199920 NVFLONGSKGPGHV-UHFFFAOYSA-N 467.469 0.937 30 20 JCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COc1cccc(Br)c1C#N 1124439947 LEUJSRDYNYDKFS-LBPRGKRZSA-N 458.334 0.851 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1303472786 PTEUFCXAZLTOMF-MAUKXSAKSA-N 462.532 0.847 30 20 JCED CN(C)Cc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1314667787 SYECNPKJXRZDLQ-VQTJNVASSA-N 489.602 0.450 30 20 JCED CN(C)C(=O)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503362113 PROQNRRLYUPQMS-QGZVFWFLSA-N 451.535 0.970 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNC(=O)C(C)C 1507786448 WBYXDYQGJVLFLM-AWEZNQCLSA-N 493.428 0.728 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@H]1C 1519164524 JKIMPKKJDBDUGK-UWVAXJGDSA-N 470.596 0.529 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1593807377 KERAJBRFUZUXDL-KGLIPLIRSA-N 469.033 0.749 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1778088711 XSBRPMHWHPEVHN-CMBDLQSPSA-N 457.593 0.753 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 1778611764 YSEGDGKFYVZFSA-MSQNZERCSA-N 495.580 0.863 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1778920890 GNVCZIIHYWISIK-MTNXABLMSA-N 498.552 0.980 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C3)c1 1780347380 DSRAJTVZZWBSIW-YLJYHZDGSA-N 450.432 0.411 30 20 JCED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN(CCO)CCO)C3)cc1 1781014411 GGVOKINNAVRPCP-ZJSXRUAMSA-N 458.559 0.167 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCS(=O)(=O)CC2)C3)c1 1781147805 MUHMJGPZOFJZTM-ZJSXRUAMSA-N 488.610 0.725 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781165146 GJHSQFGDPXWPKV-LLJLJFOGSA-N 493.605 0.106 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1781271556 WISLXGYLBSHILY-HRAATJIYSA-N 455.508 0.169 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1782511039 KRDQQNHVWSSFLR-WEHRJKGCSA-N 452.511 0.873 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c(C(F)(F)F)n1 1783160946 XPWHSIOXMXKETD-CWTRNNRKSA-N 451.405 0.552 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783626323 TXNXBQAJIDEOAV-BCYZHJNNSA-N 478.590 0.962 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783678833 BDMUFPNAWGGTRI-KNQAVFIVSA-N 458.552 0.104 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1783765900 UVSOZKVBEPRPGC-IERDGZPVSA-N 473.592 0.720 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CNC(=O)OC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784087808 AFIUGDFSQSJZHD-AOMKIAJQSA-N 466.535 0.738 30 20 JCED O=C(CNC(=O)c1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1785170688 QBWBHZHQYXDDTC-IXDVKQSYSA-N 453.499 0.503 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)[C@@H](O)C1 1786705476 HFLOAOVCAYNOLJ-ATIWLJMLSA-N 450.536 0.498 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5c4CS(=O)(=O)C5)[C@H]3C2)cc1 1787150814 BUNIQORZJOINTC-ZWOKBUDYSA-N 483.550 0.546 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)Nc3cc(C)on3)[C@H]2C1 1787489195 BADDQSIQBYTFBO-YPHDOGSUSA-N 459.503 0.150 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787498477 OGDXVAMMRKVAAO-JTVCPLHISA-N 485.566 0.719 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)c1nc2c(=O)[nH]c3ccccc3n2n1 1788077544 DOFJCDOMDCSVAZ-BXWFABGCSA-N 460.494 0.578 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1788660577 YRANAZMRRNZBHS-DCLIBRIOSA-N 476.574 0.896 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O 1792451721 PODITDYZGKMAMN-RGSMHCDZSA-N 493.601 0.622 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nsnc1NC 1792486677 SXZRIBAEPYFKPI-LXTVHRRPSA-N 478.575 0.700 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2 1793345915 UUKWYPMAQAXDDD-PKRADWSKSA-N 495.573 0.461 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794204875 DBZIQJWKDMZLTI-JKJDWNRSSA-N 463.535 0.692 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCNC3=O)c1 1794974079 JUTOCXRIESJMMH-WMIGDMCZSA-N 462.510 0.771 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795408374 YWABJJCKMCPKJI-YYIAUSFCSA-N 491.593 0.036 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](N)CCC(N)=O)N(C(=O)OC(C)(C)C)C1 1795979540 KEMQABOMAPYWJZ-ADHGMGHFSA-N 463.579 0.783 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)cc1 1797741058 VWKYVKNKHPQHNI-XXPAMXQASA-N 476.599 0.694 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797743577 CTCJTFGZTADSHF-FKHQRQKDSA-N 455.559 0.866 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797816432 KCICEVQJGDPZCO-AMGHZEHPSA-N 463.531 0.860 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(C)[nH]n1 1797858747 IKVOIBSDSQFXKB-YNVMFWSZSA-N 459.547 0.767 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2C[C@@H](O)C2)C3)CC1 1799236540 RBPSCDIFLULHEZ-ZMGNVYRQSA-N 476.574 0.888 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1799304311 CYZVBRZJSQNSJE-DMNLGMSASA-N 495.573 0.769 30 20 JCED COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2 1799383161 QPPJUMAKYYCISN-XWSHUIEDSA-N 487.594 0.463 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C 1800825382 MPEMLHGRXKIPRM-GVJYWCCQSA-N 479.574 0.375 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C(C)(C)S 1800906829 JVWAKMACMXPLSO-DLTLXFJOSA-N 469.560 0.266 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cncnc1)C2 1802126247 DXKQGLPFBUICSY-RCLSDMTESA-N 471.558 0.915 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2 1802139906 ZLEYHHPSDMCBST-BWBOWEQJSA-N 479.578 0.492 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1804347262 YYKZCBHUOXTOHJ-WFXMLNOXSA-N 467.526 0.384 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806699322 JKBVUXTXCOFYAU-SFHVURJKSA-N 455.621 0.521 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@@H](C)N2CCN(C)CC2)[C@@H]1c1cccnc1 1807913572 LIHOOUWNPCXKFO-JYBLIBBXSA-N 468.602 0.582 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1812349347 JOWCFHKTEYRDGO-DVARENJRSA-N 466.498 0.520 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CN)sc3C2)CC1 1817070802 BARJUUWVCDGMOK-KGLIPLIRSA-N 491.618 0.882 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816862 YVJWITMNOONEFJ-CQSZACIVSA-N 469.462 0.351 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=N/O[C@@H]2CCCCO2)CC3)CC1 1818894945 BVJMMIQCEAVTIH-JVKJESJWSA-N 492.602 0.748 30 20 JCED Cc1cn(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=N/N4CCCCC4)sc3C2)c(=O)nc1O 1819782149 GALAFCUXEQZUDN-GGPGUOJZSA-N 473.559 0.798 30 20 JCED NC(=O)CC[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819898681 NGMSAEMCBFTUHB-RCIZVMDJSA-N 452.537 0.177 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)[C@@H](O)C1 1822725490 XXJKXOSWDRUYCI-OBJOEFQTSA-N 478.527 0.371 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1828925580 XWDYHQDKJNLYDM-WIOPSUGQSA-N 499.568 0.393 30 20 JCED CN1CCC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)C1 1829334246 FQKBFSGJRTVDKT-QFQXNSOFSA-N 496.564 0.868 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O)CCO2 1829691869 PFTGJVPUBYKWHJ-RTFZILSDSA-N 465.547 0.084 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1830469008 YYOZHLXWAXUTDJ-QFIPXVFZSA-N 472.885 0.663 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1830571733 SLMZSBRROPXWMT-NLFFAJNJSA-N 487.553 0.380 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831340149 BJDLZEDFFBQZEQ-FQEVSTJZSA-N 469.947 0.716 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1831396734 QIKWKBZDJFCLNG-QVKFZJNVSA-N 461.906 0.491 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1831411532 VNFWJZXBNVWOAK-QHCPKHFHSA-N 462.547 0.978 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487843 KFSHQDZLWUJEJZ-LLLIPYIGSA-N 468.595 0.422 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831999836 DHUMYCALMDETJY-KSFYIVLOSA-N 465.503 0.000 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832799692 BYBZXSSXMLMIGX-DNVCBOLYSA-N 452.468 0.049 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3nsnc3NC)CC2)CC1 1833069582 DAUQDGZARSQBBD-PLNGDYQASA-N 461.592 0.623 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)nn(-c4ccccc4)c3O)CCO2)C1 1833411792 RIYMSPUFDAUKRQ-CLOONOSVSA-N 482.537 0.995 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833877435 CSSCRMZFISYGLU-ZHRRBRCNSA-N 478.550 0.355 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(OC)cn2)CCO3)c1 1834527914 BWHLQEXREVAMLS-HSZRJFAPSA-N 467.482 0.749 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)c1 1834565202 SGGZAQZNLADCPL-CRICUBBOSA-N 492.536 0.637 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768975 SFWGRSHOTAGBBV-VFNWGFHPSA-N 450.492 0.283 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835112086 KJJYYQAOVTVKSD-JLSDUUJJSA-N 479.647 0.934 30 20 JCED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(=O)OC(C)(C)C 1835211070 WPWJGSWSLBIMQF-JOCHJYFZSA-N 461.519 0.823 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835352043 LJTKRMBCAWOWCJ-IERDGZPVSA-N 454.524 0.022 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c(C(F)(F)F)n1 1835410156 VLIVWFIGNCCDGH-NRFANRHFSA-N 495.458 0.664 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835495108 XOZCYWZDLWUVOL-FDDCHVKYSA-N 453.499 0.376 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1835675206 XBKGOPBIDXMRIM-HYBUGGRVSA-N 457.575 0.467 30 20 JCED CCS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835765188 ALWONIYRIBJUOO-FNNTWHHHSA-N 472.608 0.522 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5csc(N)n5)CCO4)C3)c2c1 1835797545 VTXSLAXHHZMQTR-OAQYLSRUSA-N 467.511 0.857 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836068098 WYEWGJAKIVNTQL-UZUQRXQVSA-N 493.561 0.846 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836321916 PMUBWOYWVZOBSB-SPLOXXLWSA-N 495.458 0.733 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837394642 FXPJIWBVARUUQD-IIBYNOLFSA-N 452.483 0.426 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1 1837440621 PURXGWHLIQLFBA-DRLIWWMRSA-N 474.558 0.657 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529902 GTBJNUPVWKJCPG-OXZVPYCZSA-N 474.514 0.385 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nnc(-c4ccccc4)o3)CCO2)C1 1837534536 NLBLPKOPTWTGEH-HXOBKFHXSA-N 454.483 0.845 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838731842 BEQRWWBUXVENKT-QFIPXVFZSA-N 452.471 0.624 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c(C#N)c1 1839131577 LRSFYLMQGMCFCH-DEOSSOPVSA-N 466.494 0.513 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132425 GKWXXBOTUFZTPX-OSPHWJPCSA-N 470.526 0.256 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)CCO2 1839135681 NPNHQXHBOUPMHT-JOCHJYFZSA-N 471.466 0.561 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210492 RCWRKGZHOGXIOA-DVECYGJZSA-N 481.590 0.912 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1839226430 OJUXZIFQECGXNS-XFQAVAEZSA-N 472.539 0.087 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1839228077 SCGODNGRANMDFA-VGOFRKELSA-N 458.519 0.909 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Cn4cncn4)C3)C2)c1 1839452774 VXUFEQZTBOXGJF-JPYJTQIMSA-N 452.515 0.865 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](N)Cc5cccnc5)C4)C3)c2c1 1839487948 NIXKVOFCJIFUAN-CPJSRVTESA-N 489.536 0.470 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1)C(F)(F)F 1839892658 ADFOTIOITBFMCF-IBGZPJMESA-N 471.436 0.205 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839960223 HFLPPYKKFJYBJY-GBXCKJPGSA-N 460.527 0.556 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4C[C@@]45C(=O)Nc4ccccc45)CCO3)C2)CC1 1840036678 IYZGKPOBVGXWIP-DPSWKAHMSA-N 450.495 0.657 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840077208 FZRWQGFUYLSPIZ-QFIPXVFZSA-N 464.519 0.026 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)COc2cccnn2)CCO3)c1 1840408112 HKVRLESHRJRVGT-DEOSSOPVSA-N 465.510 0.816 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1840820823 LKFBDOVZNDLQDV-DEOSSOPVSA-N 465.510 0.816 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCC)C2)C1 1840909207 OKMXHSPEZBNELW-VGSWGCGISA-N 453.536 0.396 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1847080808 DRXPKSTVDRHODH-MCMMXHMISA-N 484.517 0.099 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)CC1 18039042 NTMFWSQVKOAZCC-UHFFFAOYSA-N 480.543 0.899 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1 31805694 YROPEQCNOLUHGC-UHFFFAOYSA-N 472.502 0.284 30 20 JCED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccccc2O1 518068667 ZHDJMXZDAHWUNX-HXUWFJFHSA-N 498.517 0.358 30 20 JCED C=CCN(C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H](C)c1cccc(-n2cnnn2)c1 520198922 KZVWZRUJWXATPY-AWEZNQCLSA-N 489.496 0.322 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)C1=O 591297562 YNHSSVNUUUTOOQ-CQSZACIVSA-N 452.464 0.072 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2sccc2C)c1=O 603794425 DRMUYSMXHGPOSZ-UHFFFAOYSA-N 490.651 0.658 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 608912823 FUUQPIUUAVFNGO-UHFFFAOYSA-N 476.624 0.297 30 20 JCED CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)c1C 728557014 CLJWXHWANSNOKK-UHFFFAOYSA-N 485.654 0.956 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1CC(=O)N(C)C 748786405 VWHJMXARFVXOBH-UHFFFAOYSA-N 485.522 0.110 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc3ccccc23)c1=O 812932645 AIVVIXOHGHHWCJ-UHFFFAOYSA-N 498.630 0.722 30 20 JCED C=CCn1c(=S)sc2c(=O)n(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cnc21 913600905 RPVLSPASXLXTHJ-CYBMUJFWSA-N 469.614 0.506 30 20 JCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C)c1=O 917779820 KDATXAWXSLFSAY-UHFFFAOYSA-N 462.959 0.060 30 20 JCED CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 918818105 XPJZKHWXOKRUOJ-UHFFFAOYSA-N 464.544 0.485 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919644407 BKNGMQZVUASJDX-JSGCOSHPSA-N 465.484 0.567 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CCO1 1301911537 KVBKIQURAWIDEV-HXUWFJFHSA-N 469.546 0.842 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1303836378 KYBUVGBZCCRPDY-MAUKXSAKSA-N 457.576 0.566 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359143348 YRUIXDVRNYWECD-HNNXBMFYSA-N 462.020 0.631 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1697700968 RCDWBBKRSWLNOR-QBPKDAKJSA-N 456.569 0.401 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNS(C)(=O)=O 1727223493 YOHZVIBTLQGAGP-UHFFFAOYSA-N 488.618 0.944 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1N1CCOCC1 1751224923 UFRRVDZNXDQLDS-QRWLVFNGSA-N 478.554 0.610 30 20 JCED CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC)c2ccccc2c1=O 1764498262 ZQBVDMZTZWDWLE-OAHLLOKOSA-N 450.503 0.930 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](CC)NC(N)=O)C1 1777979687 GPKZMJSPYNQOPH-FGDDKPPBSA-N 493.605 0.864 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1778117857 XDAGEOAJGDSCJO-NZLUSWSZSA-N 486.591 0.017 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779068110 RWRDDWJABGMUJY-JPYJTQIMSA-N 465.547 0.358 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139734 GTTJGYPIVPDFEC-MQHZAWOVSA-N 495.573 0.615 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1779937289 BQDSOZIDVCNXGH-GULRJVMGSA-N 457.535 0.175 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H](O)CN3)C2)c(C(F)(F)F)n1 1780602403 ZQJPGMLFKMKHBH-JKXYVKTPSA-N 481.475 0.822 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2C(N)=O)C1 1780986804 PPEMRPYEPNKDMD-KTTXHFHUSA-N 454.527 0.771 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)CC1 1781170027 KMLHGAPNVLQTIR-JOCHJYFZSA-N 498.602 0.402 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCO3)c(C#N)c1 1781174248 JQABHJKKMUBVHC-XMMPIXPASA-N 465.510 0.953 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)no1 1781300936 HIROVZRZIMPFER-HSZRJFAPSA-N 469.473 0.796 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195076 MSXDARWYUQJYEA-JLCFBVMHSA-N 453.503 0.586 30 20 JCED COc1ccc(OC)c(C(=O)CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783567712 WTOFUEDSAJJNDQ-QHCPKHFHSA-N 458.467 0.585 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2)c1ccc(O)cc1 1784015033 VEEBLUTYXSQWEZ-MHECFPHRSA-N 468.510 0.271 30 20 JCED CN1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCO3)C1 1784784158 LKAUNEOYPRWZKG-DEOSSOPVSA-N 475.590 0.919 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1785571077 AAPZGHDQXLCEBP-WZONZLPQSA-N 457.531 0.766 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4[nH]cnc(=O)c4c3C)[C@H]2C1 1789175804 ICCBTWMSLCQCOI-LEUOFYLZSA-N 457.531 0.497 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789764208 CWCWWAZACQOECJ-KNJMJIDISA-N 459.591 0.649 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4C(=O)C=CC4=O)C[C@@H]32)ccc1F 1789904763 VJFVBDRWZWBCMT-QRFRQXIXSA-N 468.485 0.535 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1 1791330276 YZNGBKYBVAGLCU-GSRZOBFVSA-N 461.559 0.751 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)[C@H]2C1 1792187379 KHWFQASRMSWJFD-QFCHGCLKSA-N 473.545 0.891 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3nc(C)no3)C[C@@H]21 1792257427 FLWCOFYOGONTCB-FJIDUMEYSA-N 475.546 0.817 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)C2 1792490315 NAZUYOIQPNPTAN-ZIKVHIGZSA-N 488.585 0.547 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794001226 QJJJDNCKPLMBBO-LORHWOILSA-N 492.533 0.850 30 20 JCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799062734 IYEIODIKWJLWLR-XOIINTDNSA-N 496.536 0.642 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1799231810 PEPLIUFJUMSUIZ-DMUMMCEESA-N 493.605 0.544 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2)C(C)(C)S 1800906898 LHYFKINYDINYBL-GFISCPRKSA-N 484.619 0.314 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)C2 1800990104 ZABZCYVYWWFKDV-PQKAOMOJSA-N 457.593 0.655 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)[nH]1)C2 1802139517 AIECCEICEPMFHA-CLDHMQMKSA-N 461.519 0.788 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1808434221 ZXCPBVVPEYANAW-JXFKEZNVSA-N 457.487 0.149 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817078313 WOHQHWXOGSCKEF-FTWIIGPWSA-N 464.592 0.811 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)Cc3cn4c(nc3=O)SCC4)sc2C1 1822479575 YGUHBDLBBUXICY-JSGCOSHPSA-N 473.580 0.999 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCN2C(=O)OCc1ccccc1 1828619964 ZSQGZQVSMRMHKV-VWLOTQADSA-N 478.505 0.387 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828804957 YHFQWNAMFREKQJ-UZUQRXQVSA-N 455.515 0.864 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCN2C(=O)OCc1ccccc1 1829136940 WUNOHHASIUIUSV-CYFREDJKSA-N 464.526 1.000 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829520429 HGHGFWUGZHQGSL-HXUWFJFHSA-N 452.895 0.709 30 20 JCED Cn1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)n1 1829631949 MYFJPKCDKSCLAU-XMMPIXPASA-N 451.527 0.923 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC3CCCC3)C2)C1 1829762793 RLFYIXZWDAIVID-RHVSLNNASA-N 451.589 0.977 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)c3ccc(O)cc3)C2)C1 1829768730 GIMZVQLQNNQKEU-OIMFYEQDSA-N 457.527 0.811 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1829770442 QGQMNZOJVIAPRI-ADWLJLTJSA-N 457.531 0.197 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cc3ccncc3)C2)C1 1829771037 BSTNYEJPHNAHGI-KZUTWHODSA-N 456.543 0.575 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1830885985 PQOJCZZDESWXIP-YADARESESA-N 475.542 0.435 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnccn1)CCO2)c1cccs1 1830963074 IQYOLDGURXNSBX-SIAOZKNOSA-N 456.524 0.976 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3cccc(Br)c3)C2)C1 1831397350 RDTKOQBKGPFDHK-GTCCEBARSA-N 495.370 0.977 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1831402489 IMDVHQXRXNZHDE-XLNZFTOWSA-N 457.527 0.300 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1831998770 SIXXUHKHGYOVFY-MBSDFSHPSA-N 477.562 0.809 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1831999659 ACKFINSSIQOJOR-JLHGSKIFSA-N 468.551 0.047 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1)C(F)(F)F 1832729388 BURHLSUMKSBBOI-LJQANCHMSA-N 456.421 0.386 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c(O)n1 1833699750 LIDCATJMPBYSNK-WMZHIEFXSA-N 493.582 0.553 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)ccc1F 1833834234 RQSFFKHVAAJSFI-JOCHJYFZSA-N 455.446 0.506 30 20 JCED CCc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1F 1835672670 GWMFMUUEGPUTSA-OAQYLSRUSA-N 450.515 0.463 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1835675194 WORUJAVKCGUXBB-HSZRJFAPSA-N 458.563 0.640 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1)n1cnnn1 1836520548 LPXAZUZYUYRMIQ-SQBHOSFOSA-N 460.516 0.191 30 20 JCED O=C1Cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)ccc2N1 1836789488 GITWWBASNBMUKN-LCCCKJFOSA-N 486.525 0.780 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837201048 DVTYKHCDARNLFT-REWPJTCUSA-N 474.514 0.012 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837379449 DATMBUDMVJVWMU-IVZQSRNASA-N 477.949 0.989 30 20 JCED CN(C)c1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)o1 1837489124 ZQRJMHPZWLCHER-QHCPKHFHSA-N 460.531 0.509 30 20 JCED Nc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cs1 1837527815 XEWYRKMHGNGRQA-CMOVFPCMSA-N 453.521 0.324 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837530417 MLGVBUOZYWTMFV-ROZQTZPBSA-N 461.519 0.428 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1837530539 NOHLFZNLAQBVKD-GJVXBWAMSA-N 475.542 0.575 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cc2C1 1837565021 IZCXIMZIKRFHBI-ZHIQAQTNSA-N 484.557 0.501 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CCC(OC4CCN(C(=O)CC#N)CC4)CC3)csc2n(C)c1=O 1837635521 DNJJPSBCVYCIIT-UHFFFAOYSA-N 487.582 0.753 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]cnc3-c3cccnc3)CCO2)C1 1838493910 IFAVXPZKGVOFNY-SBUREZEXSA-N 453.499 0.580 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1 1839130746 QUEHCRJZCOTQHF-YADARESESA-N 480.606 0.701 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132293 BMDOLXCNAUBMFY-BVZFJXPGSA-N 486.569 0.871 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cccc3C=O)C2)C1 1839174758 VNZJYMSSDJJYJY-MBSDFSHPSA-N 461.515 0.827 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1839185135 OUCVKXKQRMFTFK-MBSDFSHPSA-N 492.577 0.594 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)cc1 1839362304 KLETXGNAUYCVLV-DEOSSOPVSA-N 456.543 0.545 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839486066 KJGWALRPJSANBS-JOCHJYFZSA-N 487.538 0.411 30 20 JCED CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486263 QCTPYWOUWXRZRR-CVDCTZTESA-N 455.515 0.912 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839684685 PZGXZKYILRUVES-HLESVKLYSA-N 451.476 0.717 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840018975 XGZYPVAQXYBAIW-DPSWKAHMSA-N 491.541 0.178 30 20 JCED CCc1nc2ccc(Cl)cn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041863 LMOVWFSAYABTGK-JOCHJYFZSA-N 474.901 0.708 30 20 JCED COc1ccc2c(c1)CC[C@H](CC(=O)N1CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1840042678 HUZQEASUNIOPOD-BVZFJXPGSA-N 470.522 0.735 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(Br)ccc3O)C2)C1 1840043532 DZJCTDIZXPWSSD-FQEVSTJZSA-N 481.299 0.242 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1840055489 WFHWDZHUJUJWLZ-GAJHUEQPSA-N 481.546 0.313 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cncc(O)c2)CCO3)c(C#N)c1 1840062981 HQFIJHZAYPZENS-XMMPIXPASA-N 466.494 0.980 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC[C@H](C(=O)OC)C3)CCO2)C1 1840144754 KQNNLMQYRNFIAD-CROMWVBPSA-N 450.532 0.461 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1)c1ccc(O)cc1 1840222085 CIRBTJBJEMPVLO-SWYRRKHMSA-N 483.565 0.872 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1)c1ccc(O)cc1 1840222608 VHUAKDZKLLYNKU-JYMRHQFYSA-N 471.554 0.870 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)c5ccccc5C4=O)C3)C2)CCC1 1840812280 IPOSRPPTKTYIDS-VWLOTQADSA-N 480.521 0.823 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1840820089 YDRSULNLFGKYPQ-DEOSSOPVSA-N 480.477 0.831 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1840841669 NVSFFLCQWAFNTB-VGOFRKELSA-N 452.552 0.098 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=COCC3)C2)C1 1840908310 IXIRDIIEFZXGBQ-WZONZLPQSA-N 463.531 0.664 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1840909137 NFTVOTMFLVSFKU-VUMVONDWSA-N 494.589 0.226 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(C)=O)C2)C1 1840909461 ZZNKTQVJBMIRIP-WVMBUTMQSA-N 479.574 0.975 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](COC)NC(C)=O)C2 1847069614 PVGTYYWWMFYBEQ-IAGOWNOFSA-N 450.536 0.258 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848213354 FDGVGILKLWZJRJ-DVLIZCJQSA-N 459.503 0.724 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N[C@@H](Cc4ccccc4)C3=O)CC2)cc1 16877303 PVKWWOPLUJUDKR-FQEVSTJZSA-N 453.524 0.985 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1=O 26668106 XBTARXFUERXLLR-UHFFFAOYSA-N 489.598 0.631 30 20 JCED N#Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)ccc1F 481661001 VCESAZPOODSEPK-UHFFFAOYSA-N 467.504 0.883 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc4c3OCCO4)c2=O)CC1 517980632 MSCJFMQLDDUGCA-UHFFFAOYSA-N 496.589 0.310 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)cc1 524281050 DBGPPEBVMWNTEF-UHFFFAOYSA-N 490.541 0.870 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)C1=O 591297561 YNHSSVNUUUTOOQ-AWEZNQCLSA-N 452.464 0.072 30 20 JCED CN(C)S(=O)(=O)c1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccn3)c2=O)c1 603786671 FHDHCZIJBFBHGV-UHFFFAOYSA-N 495.586 0.326 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 727007529 DYXXVFLQNRZANO-UHFFFAOYSA-N 488.497 0.503 30 20 JCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c1=O 727164445 OXNAFBIMVPLWBQ-UHFFFAOYSA-N 499.014 0.149 30 20 JCED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 750820735 LRLBRVUXYKWLDF-QHCPKHFHSA-N 499.524 0.997 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 917354429 YISPNSYXUHXSRA-UHFFFAOYSA-N 478.914 0.480 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 917691425 GFKOBKCIDVPAIX-FXBPSFAMSA-N 463.541 0.936 30 20 JCED C[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 919315112 CGHIREFHXCXZOS-INIZCTEOSA-N 457.512 0.544 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1302497391 VHCPZXWDRUQXTM-MRXNPFEDSA-N 452.562 0.379 30 20 JCED C[C@H](CC(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1569263148 WSTIYGAIFCIGTG-ZIAGYGMSSA-N 454.549 0.848 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1692538478 JYFXBPODUVANGI-KRWDZBQOSA-N 463.608 0.950 30 20 JCED CC(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706634726 WMRFIPNWZAALMC-QGZVFWFLSA-N 451.535 0.737 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1723935993 VBJGXXIMBPWRNO-QRWLVFNGSA-N 463.539 0.989 30 20 JCED Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1729586014 UJVCGVNUNJINQZ-JOCHJYFZSA-N 450.478 0.989 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCCC(=O)N(C)C 1743234433 KKMPBWLHNHWTNW-JKSUJKDBSA-N 466.550 0.474 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCCCC1=O 1751227931 MSAGJBBTAXDDFS-AEFFLSMTSA-N 478.623 0.467 30 20 JCED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1768335923 LZYVYWBRBASWBW-WJOKGBTCSA-N 480.616 0.969 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1778087641 PDVMYUATZWRMGK-HOIFWPIMSA-N 450.536 0.738 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCO2 1779000440 VYDXRZGBFYESFT-IBGZPJMESA-N 459.556 0.592 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1779104994 IOJRISDJWRDDLN-NRDISHEDSA-N 462.547 0.746 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1781165557 MYADDJYNKJHPBS-MBSDFSHPSA-N 474.562 0.805 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1781396020 NPBGRNMVNNVLDI-NWFVXXGESA-N 482.578 0.845 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1783546355 XJGGHUPXBAMXMU-ZKCPLKSISA-N 491.585 0.879 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(NC(=O)OCc3ccccc3)CC1)CCO2 1783564140 FYMTXCVLOZCULU-JOCHJYFZSA-N 455.467 0.363 30 20 JCED CC(C)(C)OC(=O)N1CCc2onc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)c2C1 1783565656 WSOWBHWYBVEANU-HSZRJFAPSA-N 488.497 0.499 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783601517 ZGFSFRKQXLFWCJ-DGGJZMOXSA-N 483.562 0.864 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C2)C1 1783722654 KJYKTPDLQVQRHO-JTSKRJEESA-N 498.001 0.877 30 20 JCED COCCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1785379063 HFHIDMGYLWBBMP-QHCPKHFHSA-N 453.499 0.924 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1785575029 XAHZLKSCIZRDGM-SBUREZEXSA-N 462.547 0.355 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1785596591 NAGKOYAZWZAJCL-NLSFWIRASA-N 464.563 0.812 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1788778084 MBTSMDPIGOSSMG-UUXHPUJUSA-N 468.514 0.179 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(I)ccnc3OC)[C@H]2C1 1789361747 MMXYTSZBXZNVOE-OBJOEFQTSA-N 469.279 0.921 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(N)=O)C[C@@H]32)CC1 1789839778 GZTXCESGXSPGAB-ULQDDVLXSA-N 492.577 0.175 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1789840702 DCQUAXRGWSHGAN-FJIDUMEYSA-N 479.578 0.331 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1793593317 GIUQCYDRRIXBOT-LORHWOILSA-N 492.533 0.850 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794213859 UAGCXOXOROCYSV-YIDVYQOGSA-N 461.519 0.139 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)ccc2F)C3)n(C)c1=O 1794252551 DMIZQICCTBYXBV-MUJYYYPQSA-N 493.499 0.396 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795288527 NLDYAQBAOYUNCQ-OREBXVKISA-N 464.563 0.714 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1795896565 YRYCKVASIZXDIZ-ADHGMGHFSA-N 462.547 0.640 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O)c1ccccc1 1797967468 CJARHDHWGRWSRB-BFRACDOUSA-N 455.555 0.924 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 1800733011 SQVCYAYINFCHDX-DTGNRIQCSA-N 491.585 0.639 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801050259 CUGUMZWZMKLQNL-UNMKOGDSSA-N 469.604 0.867 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1C)C2 1802125487 WTWINMJKHIIPDX-NBMJBFSESA-N 459.547 0.848 30 20 JCED CS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nc1 1805056070 UJAXANZDKFVKEN-FOIQADDNSA-N 456.480 0.288 30 20 JCED COc1ccc(CC(=O)N2CCC3(CCCN(C(=O)[C@@H](N)CCC(N)=O)C3)CC2)c(C#N)c1 1809681813 SCDXCYPWSGEXGJ-FQEVSTJZSA-N 455.559 0.933 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1812712939 SNVFVUVJRUXNMG-OZXSUGGESA-N 479.581 0.878 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817063425 LRJLAFVUDKWURW-DYEKYZERSA-N 452.581 0.811 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNC(N)=O)[nH]n1 1823515878 DPRVUHMBPDPGEM-ZFWWWQNUSA-N 461.523 0.987 30 20 JCED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 1825118353 HMOINLNRBGWAJF-CHWSQXEVSA-N 485.570 0.715 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825666891 DZXZXLHXPRSIME-IPYPFGDCSA-N 492.554 0.761 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828572730 XUJIRJGOMYZAIH-HFZDXXHNSA-N 495.580 0.445 30 20 JCED CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1)C(=O)C(=O)O 1828978841 OOEPGOFXSOMHFY-QGGRXXHISA-N 466.535 0.678 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332746 XHBXARLUOQFGSN-IQGLISFBSA-N 496.520 0.217 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)CC1 1829631498 LADOSRBWOSURCN-AREMUKBSSA-N 497.596 0.111 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3onc4ccccc34)C2)C1 1829771301 QCPFUOJYDHQFJO-YLNCNTMDSA-N 454.483 0.756 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)CCO2 1829845600 DJOQXILFXPJKNV-MFEFFIJZSA-N 499.630 0.930 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)C1 1830715815 RGXUITPSVUIFMR-ZKBQTDDLSA-N 461.515 0.744 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1831401946 JZTBZLCTJWFBPY-WYEJZRMESA-N 491.585 0.738 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831448783 FVYCWIQMXIDOGC-QFIPXVFZSA-N 477.539 0.300 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CNC(C)=O)CCO3)c1 1831694217 JQTVZAMUPCEVSK-XMMPIXPASA-N 472.542 0.799 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1 1832024402 CLLPQWPPKHKMJF-QHCPKHFHSA-N 470.457 0.082 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2)C1)C(F)(F)F 1832247013 RHYSXGPEBHCJGJ-QWHCGFSZSA-N 484.321 0.111 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1832458594 SCSCCIKSCZCHQD-QFIPXVFZSA-N 487.619 0.903 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3nc4ccccn4n3)CC2)CC1 1833075114 URCLXZCROIUOGJ-SREVYHEPSA-N 465.558 0.773 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2)c1cccs1 1833165458 RYOQLDVJPYRZGS-ZDUIWUOISA-N 456.524 0.976 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833223804 FRGMLFHFJMBHIR-IQMFZBJNSA-N 466.579 0.338 30 20 JCED C=CC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833714304 RPWDILKQJYYEFC-GOSISDBHSA-N 454.637 0.501 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1833724233 NBLHMDFHMBAHFS-OPAMFIHVSA-N 461.519 0.396 30 20 JCED C[C@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767827 YILSQBLOWHHGIY-UIOOFZCWSA-N 493.564 0.770 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)Cc4ccccc4NC5=O)C3)C2)CC1 1835345691 UNDUQRAZHGRIPF-RUZDIDTESA-N 490.520 0.871 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1835640830 WAJUDYWDOUGQSJ-YVHKJVDXSA-N 488.651 0.639 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835681436 ZDLJVNYOQZVFIG-DEOSSOPVSA-N 471.533 0.978 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1835718202 XWWHPIFCDIUSLQ-OALUTQOASA-N 455.621 0.708 30 20 JCED CN1N=C(C(=O)N2CCC(N3CCC(NC(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)CCC1=O 1835767473 ZOMCQGHXFGQVDL-OLCUMFGGSA-N 476.578 0.695 30 20 JCED Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cn1 1835985873 FWAQWEKXPMRXIR-XMMPIXPASA-N 451.527 0.923 30 20 JCED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n1 1836072621 JIYSRFUMMYSWNN-QFIPXVFZSA-N 465.470 0.439 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837330056 FQWVNRXAJYEJPP-SOWNJDLTSA-N 495.602 0.937 30 20 JCED COc1cccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837441069 PRPWCSIZUWZXHS-GVFUYMABSA-N 459.547 0.561 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1837491171 KJWDGVCGWAFXIV-SANMLTNESA-N 496.564 0.824 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837528738 NZNOWXIATKXWTL-UQCOMZBSSA-N 453.536 0.545 30 20 JCED COC1(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CCC1 1837532316 BFWZVXHROHVRNW-OEEWFINQSA-N 453.536 0.931 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)N1CSCSC1 1837573551 FZONLSHRXFSLIE-FOIQADDNSA-N 465.601 0.999 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837655729 AOIWFQZXJOREAX-JPYJTQIMSA-N 462.547 0.334 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837758966 HJXLRMCFUARBEF-OPAMFIHVSA-N 463.535 0.796 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838477800 LIQMMAZPEGDCEP-DEOSSOPVSA-N 471.510 0.579 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C3)C2)c1 1838581754 NEPGJAOTUSZGDV-QMHKHESXSA-N 458.515 0.504 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)c1ccc(O)cc1 1839080468 WSXHRUKRHMHKBU-AXJZPPOTSA-N 471.554 0.068 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1839171624 BVZWNDLMPZBRKH-NRFANRHFSA-N 455.577 0.001 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3csc(C)n3)C2)C1 1839174073 DDZSBHNNDXTFJE-OAQYLSRUSA-N 451.545 0.960 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1839185133 OUCVKXKQRMFTFK-FDDCHVKYSA-N 492.577 0.594 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839224581 MMUUJEQTMHJVBY-LAUBAEHRSA-N 451.524 0.400 30 20 JCED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCO[C@@]2(COCCN(C(=O)C(O)O)C2)C1 1839345032 KZGUYQUSJSHMFR-VWLOTQADSA-N 450.491 0.467 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1839387577 ODNIJRRIMJIGPR-WHSLLNHNSA-N 472.539 0.087 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1 1839476512 RGWLMZPIFFIJFT-JOCHJYFZSA-N 464.515 0.713 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840157223 IJBLHZXNWUTDCQ-QVKFZJNVSA-N 455.577 0.938 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CSCC(=O)O)CCO4)C3)c2c1 1840194033 VGGPMZLKBIBIJI-NRFANRHFSA-N 473.511 0.322 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1840818964 HSVLUANPGYVUCY-XMMPIXPASA-N 456.543 0.879 30 20 JCED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c(O)n1 1842296438 YSXDKTMSNCWSNG-UHFFFAOYSA-N 462.572 0.453 30 20 JCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1846367956 ZBFYXWANNCXAIN-ZIAGYGMSSA-N 456.613 0.665 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1847068533 DQQNAGLSMOQYIK-YCRPNKLZSA-N 451.520 0.722 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C 1847806773 SLYQJUKXZQRAFB-VJANTYMQSA-N 478.590 0.988 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592988135 NTQXRSYQZLRPCW-UHFFFAOYSA-N 466.498 0.177 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCNS(C)(=O)=O 608913054 PYKBYGIZJYOFKR-CQSZACIVSA-N 491.591 0.364 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(Cl)nc2)c1=O 727163176 ODEZCUNZPCRKRX-UHFFFAOYSA-N 456.915 0.043 30 20 JCED COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1C 729673110 SSZFLUYFHDILMK-UHFFFAOYSA-N 475.548 0.150 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 811830414 NTEDZGMAWWIOGF-UHFFFAOYSA-N 493.563 0.952 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 918238505 XNXPDBNXBADBSI-HKOYGPOVSA-N 493.567 0.402 30 20 JCED Cc1nn(C)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1[N+](=O)[O-] 920661635 DPOBWWVZZCJOPG-UHFFFAOYSA-N 476.471 0.198 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1314555158 WXADLPKETRGWGO-UHFFFAOYSA-N 461.548 0.051 30 20 JCED CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1360370366 JYXCWSLHSZZELU-UGKGYDQZSA-N 475.571 0.997 30 20 JCED CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1)S(C)(=O)=O 1502180700 VYBSPYCVVCIAOL-UHFFFAOYSA-N 489.602 0.783 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1505139287 SRVONEBYQPIPSN-UHFFFAOYSA-N 493.615 0.324 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 1511701847 WOQGQYRYXRCWJH-VQIMIIECSA-N 450.544 0.863 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccccc1F 1541804580 YNJDQIWVCYKAPI-MAUKXSAKSA-N 493.565 0.918 30 20 JCED CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1554459878 NALWFAOOORAUIT-UHFFFAOYSA-N 489.602 0.973 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1631649108 KRVYVMGOAWDZGS-KRWDZBQOSA-N 455.540 0.690 30 20 JCED CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1=O 1692431564 SKZXGIRVUDXLIT-UHFFFAOYSA-N 489.602 0.925 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C2CC2)C1 1692853438 NMABGWNRVUHKPI-JXFKEZNVSA-N 465.580 0.267 30 20 JCED CCS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1710902218 LMBFGMRNYQMPSN-UHFFFAOYSA-N 481.586 0.796 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1741704122 ITLLZNWMYCYOKJ-UHFFFAOYSA-N 464.574 0.990 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1769380285 OEJHBPKVVUTMTM-KKSFZXQISA-N 476.559 0.662 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779422650 IILQGNYGFQSUAN-HXXZAYCWSA-N 473.574 0.994 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779423169 GTVHCCYXLSTSBK-QYFSRIFYSA-N 467.567 0.737 30 20 JCED Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cccc(C#N)c4Cl)C3)C2)c(=O)nc1O 1780192961 JUEUSWKVXJLCHZ-JOCHJYFZSA-N 471.901 0.926 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCNC(C)=O)C1 1781797423 HBJXMKCJIDQEFS-KHCICDEESA-N 478.590 0.943 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1781857894 COHDTKIPJQFBFB-XXBNENTESA-N 474.514 0.610 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557080 GVEZKKQFVAVBDJ-HOYKHHGWSA-N 486.525 0.435 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1784372059 KOLUTTUBYGBVLI-OFNKIYASSA-N 450.499 0.472 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCOCC4)n3)C[C@@H]21 1784482245 IKOAMAFJGPNTOE-JKBKZWBZSA-N 456.543 0.550 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786362077 JAQLLHBSOHZBHU-NVJADDNWSA-N 470.592 0.542 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)[C@H](O)C1 1786702084 ZVUUVJSYZXKINF-APAFKAMOSA-N 464.563 0.888 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(F)cn4n3)C[C@@H]21 1786859739 FPQRXADEGRWEAM-XIRDDKMYSA-N 457.510 0.744 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1789808684 OSJXAAJUQIBGAN-YRIPFXIYSA-N 479.574 0.232 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1789928283 KRABACMVCNNZNO-QAETUUGQSA-N 450.536 0.546 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn(C)c(CC)c1Br)C2 1792488788 UMNBWSYWOSDHKN-LEDMXFKVSA-N 494.390 0.807 30 20 JCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794111430 OYPUFSCDLDQUPV-JFILPPLUSA-N 452.458 0.794 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)c1cc(=O)n2[nH]cnc2n1 1795730674 MMPLAHHKEODVPH-BPNQKZMOSA-N 468.495 0.121 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N(C)C(C)=O 1796450683 LSACSXXPLNAUMJ-NLNMYJFZSA-N 466.579 0.912 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1797709906 BUQSLYOPUJJHJN-NZGUISNBSA-N 458.559 0.695 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1797743784 QEISCSMDQGWYFR-QOSQLZEWSA-N 455.559 0.868 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)[C@@H](C)S)C3)C2 1800326514 PPNBZCGVWRKWLQ-LBKYZSNHSA-N 450.561 0.530 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)C2 1800452045 CYNGMAIAMJGHQI-JTJHWIPRSA-N 490.601 0.310 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1800824937 ZMGNOGXWBDAPCY-NCFLMTQFSA-N 487.557 0.850 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C\C(=O)NC2CC2)C3)N(C(=O)OC(C)(C)C)C1 1801102492 OLRYAYBKOCGNCT-BLACHMLSSA-N 488.585 0.976 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@H](C)C#N)c1)C2 1801289479 ZXLLYQRMJNMOPZ-FELIOZHLSA-N 478.553 0.987 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO)c1ccc(O)cc1 1801737402 LCMVOZZGFVXGHD-YUMYIRISSA-N 457.571 0.814 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(N)=O)cc1)C2 1802126602 LQUDODSQPBLPDG-YRPNKDGESA-N 484.553 0.905 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1809669751 CUCXOQULPXSIBZ-ZJSXRUAMSA-N 485.585 0.761 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]2c2cccnc2)c1 1811407918 UDGWJKKKNUWPMW-UCNVEGJOSA-N 464.526 0.874 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1814215341 KEBKWVTUGSHVIF-BERAWNTRSA-N 472.590 0.843 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819886957 OIKXPDPCZQMKTA-LUMUPFKMSA-N 450.565 0.177 30 20 JCED C[C@@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828576240 WWSVYDLTIPRLMG-KBMIEXCESA-N 466.538 0.986 30 20 JCED C=C1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CN)CCN3C(=O)OCc2ccccc2)C1 1829044235 JNQQBCIXOZWCIT-GBXCKJPGSA-N 455.559 0.691 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)[C@@H](N)CN)CCN3C(=O)OCc3ccccc3)C2)CC1 1829047270 PQYXAMSGYZLQED-MBSDFSHPSA-N 454.531 0.028 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(C)=O)CCN2C(=O)OCc1ccccc1 1829303638 LIQOGRKVEDSWRB-XMMPIXPASA-N 454.527 0.988 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829626646 LESPVEWBSOSHJQ-XUZZJYLKSA-N 456.543 0.862 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1 1830054645 VTAOBKGAXKXBIO-QFIPXVFZSA-N 463.556 0.775 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)CCO2 1830778157 CAIXCCFJDZOFNP-GBXCKJPGSA-N 491.610 0.922 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1)CCO2 1830987008 ISDSPORRLBHULA-IMWIBFENSA-N 489.573 0.817 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)c(O)n1 1831454373 OIALLOJBEHIPEV-HXOBKFHXSA-N 495.598 0.657 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831999172 XIIITHSUENFFRE-AOMKIAJQSA-N 468.551 0.000 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ncccn1)CCO2)c1cccs1 1833165457 RYOQLDVJPYRZGS-TWKPZUECSA-N 456.524 0.976 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3C(F)(F)F)CCO2)C1 1833325039 ZOJZEGNIFMKDRP-IFXJQAMLSA-N 458.437 0.547 30 20 JCED Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833560335 DDPYSPCNJYKPKZ-QHCPKHFHSA-N 490.513 0.530 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833569822 ICNLDRFBVMDNNT-NIVXKRAVSA-N 481.481 0.381 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)OC)C3)C2)c(O)n1 1833696761 MYJHWORXRKKHFN-HSZRJFAPSA-N 461.515 0.929 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1F 1833735647 DMOLTCXMTHWFOM-OAQYLSRUSA-N 450.515 0.463 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833830183 ZLAJEOZWKANUTD-HJPURHCSSA-N 491.545 0.722 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834328639 CKXPWJMNUOWZRD-INIZCTEOSA-N 473.578 0.613 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4Cc5[nH]nc(C(F)(F)F)c5C4)C3)C2)CC1 1835346897 YVZNFGRPJOIEFH-RNODOKPDSA-N 467.448 0.903 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1)c1ccccc1 1835395570 FELZZPQALBSTHY-OZXSUGGESA-N 469.582 0.972 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835504101 IQXOKPMKEAAQDI-VFNWGFHPSA-N 485.607 0.539 30 20 JCED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1835739127 SWCWZTNRWXXXBZ-BUVRLJJBSA-N 462.620 0.754 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1836468606 IUNHYLDPVLGTFN-UWJYYQICSA-N 451.545 0.877 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836775967 HWKQODWJMIUMQT-XMMPIXPASA-N 471.558 0.855 30 20 JCED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837079917 YIRNECCOOCWLBW-UHFFFAOYSA-N 453.605 0.519 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1837122665 RREWFQGUBNXQNI-UJKYDTKXSA-N 471.514 0.933 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837445367 VIFAGTKLAPZWSA-ABBHQSEISA-N 469.546 0.200 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1837492751 QUFAHWRJMHLJRK-HHHXNRCGSA-N 496.608 0.538 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837527690 SXJZKMHKXVJEAS-GFVLEISASA-N 472.502 0.557 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1837531682 SWECXGBTNJVOMR-ZMTYOYNLSA-N 450.467 0.820 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1837565183 NLXCDTYRZXQXBD-NYNQOQISSA-N 457.487 0.448 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1ccccn1)CCO2 1837735237 IOUIIZYRGLPDBG-ADWLJLTJSA-N 457.531 0.197 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838319618 ADBUIFSXVZVRMB-UZUQRXQVSA-N 491.545 0.836 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)c1 1838584126 QUUYAFGCIKRUMA-OAQYLSRUSA-N 472.527 0.547 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc(Cl)c3OC)CCO2)C1 1838724233 OLDYERAVPICPRU-BTYIYWSLSA-N 451.907 0.852 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)NCc4ccco4)C3)C2)c1 1838737925 FWIANZLODMFAAC-OSFWOZTASA-N 467.482 0.422 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838795929 JZABBBDFQQWHKQ-YKSBVNFPSA-N 469.542 0.910 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1839173696 GVBLMSLCYDZNPR-NRFANRHFSA-N 464.544 0.995 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1839175483 MKIQRYOHWPZPSX-QFIPXVFZSA-N 464.471 0.383 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1839176224 COBOPIWRLRRTLI-HSZRJFAPSA-N 456.499 0.914 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1839364875 RUGHPXNZTPLVPU-JOCHJYFZSA-N 488.591 0.683 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C)cc(C#N)c2)CCO3)CC1 1839452486 DQDUENIPSUEKOD-VWLOTQADSA-N 483.569 0.101 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532359 AOPFXLVPCZADNF-XMMPIXPASA-N 456.543 0.598 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC)C2)C1 1840108136 PSPAMLDLZMHEQS-PMAPCBKXSA-N 468.595 0.910 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1)c1ccc(O)cc1 1840222607 VHUAKDZKLLYNKU-IOZGHAEBSA-N 471.554 0.870 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251438 DFSULMHBASVFPJ-HYFFOGBASA-N 453.536 0.389 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840802428 LYQPMCFPTKABES-YUTYXFNWSA-N 498.577 0.887 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812644 CFPOLZRAZVXDRF-UZUQRXQVSA-N 479.578 0.379 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccc3)CCO2)C1 1840900551 NWEMGGKHJMMJIC-GLDPYIMESA-N 459.543 0.852 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1840908970 TZEBCXWUHUHPNI-CDXSOPQDSA-N 477.558 0.252 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC1 504353322 JXSYXLDHXDEXMT-UHFFFAOYSA-N 495.517 0.382 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)c(Cl)c1OC 517402157 UPJXDCKEPPHJIN-UHFFFAOYSA-N 464.931 0.093 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1 603788024 PHCFOCRZTHISMB-UHFFFAOYSA-N 460.559 0.850 30 20 JCED N#CCN1CCC(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 609329543 QNSRBWOYIONYLN-UHFFFAOYSA-N 461.544 0.873 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 616840580 KQXOHHZSBKEVPO-UHFFFAOYSA-N 477.587 0.198 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)cc(OC)c1OC 618434240 KQLBMVINDSYDMF-UHFFFAOYSA-N 473.551 0.752 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1=O 726043538 VZBBYUOFPBTKHX-UHFFFAOYSA-N 456.455 0.384 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2C(F)(F)F)c1=O 729671078 GHSLRZVEXMWLHF-UHFFFAOYSA-N 485.509 0.755 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCS(C)(=O)=O 729671393 LOHLEBDBQUWGGA-UHFFFAOYSA-N 468.000 0.883 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 729673091 DJNRBOVWZPBXLC-UHFFFAOYSA-N 461.609 0.792 30 20 JCED CC(=O)N[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCCC1 792687585 SCHCXCSHIBSHFH-OAQYLSRUSA-N 476.555 0.629 30 20 JCED COCCCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1c(O)nc(=O)n(CC(C)C)c1N 901384938 BSZBHVMFOOITBJ-UHFFFAOYSA-N 492.558 0.295 30 20 JCED N#Cc1ccc(N2CC[C@H](OC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)C2=O)cc1 914665198 NFFPFTIXMMFAIQ-IBGZPJMESA-N 468.491 0.641 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc3c2OCCO3)c1=O 917770164 GAKAGZCAHVWRDU-UHFFFAOYSA-N 455.536 0.889 30 20 JCED CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918278951 JTNYTKLXOZIDMX-SKSQCXPCSA-N 451.549 0.859 30 20 JCED CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918279136 OCFQFNKMFXRXAV-CYMZXICGSA-N 453.565 0.257 30 20 JCED CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 918824582 OZSUUZCYLDHWSS-JOCHJYFZSA-N 484.469 0.719 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 918898496 VEAMXDPSRWXUSG-HNNXBMFYSA-N 453.517 0.881 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CN2CCCCCCC2=O)CC1 919307049 RYSXOONJZZUGTA-UHFFFAOYSA-N 476.555 0.727 30 20 JCED N#Cc1cccc(CN2CCC(NC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)CC2)c1 1312947891 SXANMJOLYIECIB-UHFFFAOYSA-N 454.575 0.709 30 20 JCED Cn1cccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNS(C)(=O)=O 1314918131 TUSRBHSXQZZFRF-UHFFFAOYSA-N 455.548 0.426 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCCC2)CCOCC1 1541116715 UFKUQTDDDDVMBB-RTBURBONSA-N 495.650 0.852 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1=O 1555575782 OUZBZPJUYPIVDR-FUHWJXTLSA-N 451.531 0.979 30 20 JCED CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1620155757 TWICMGFJIUDWDI-NQIIRXRSSA-N 461.544 0.894 30 20 JCED N#Cc1cc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)ccc1F 1661238554 PDKWLNZKZPJIHV-UHFFFAOYSA-N 453.473 0.820 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCSC(F)(F)F)C1 1731015368 RKLDLHOQKVZAKV-NEPJUHHUSA-N 470.499 0.593 30 20 JCED CN(C)[C@@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCSC1 1747587676 XUYBVJNHIRSPJJ-YLJYHZDGSA-N 483.664 0.788 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1747619869 ZVOSMHZIUWALLF-INIZCTEOSA-N 452.562 0.331 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNS(=O)(=O)CC)CCOC1 1765913833 QZYKUHOVFWCAFB-XLIONFOSSA-N 467.596 0.046 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1779104454 DGEODZSVCBAYPV-GENQUZARSA-N 460.413 0.796 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2)c1ccccc1 1779184481 DGHYWTCKSCAZRS-PWWKTKHKSA-N 455.555 0.664 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779344262 PXPGLJZJURNEMG-YQSPIZQZSA-N 461.519 0.898 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cc(C)c(O)nc2=O)C3)c1 1780091145 QSNFMFKVHBRIGG-CJFMBICVSA-N 495.536 0.965 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1780753767 ZCMQSVFDSVUGJG-VOLVWJTLSA-N 467.611 0.646 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)CCO2 1781268721 VEZSYZDYYJOLBS-AGKSTNPPSA-N 452.533 0.128 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)N2CCOCC2)CCO3)ccc1Br 1781904056 YIJAZAUJBZJSPH-PZJWPPBQSA-N 493.358 0.415 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729367 BRPYBWPAJSEYBF-AREMUKBSSA-N 466.582 0.912 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1783603789 VDZCZNLBBQXVOH-YRVVQQKDSA-N 459.565 0.591 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[n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c3ccc(CC#N)cc3)[C@H]2C1 1790143353 UYSHQGCMYQTMRJ-MYGLTJDJSA-N 471.510 0.841 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(C)=O)[C@H]2C1 1790871383 XVLLCMCHPFKDNN-OKYOBFRVSA-N 466.579 0.962 30 20 JCED Cc1cccc(C)c1N1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC1=O 1791072614 MEAAJDRLMDKIPS-YRPNKDGESA-N 467.522 0.724 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnnn4C)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380319 SYMCWHQEFNDHSB-DWRORGKVSA-N 474.562 0.974 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cccnc2)c1 1793958370 XFGBZJMXDWLJNX-HATOLVCRSA-N 463.494 0.595 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795274441 BFVAODTYYDELIN-RCLSDMTESA-N 457.527 0.513 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)c1ccccn1 1795620062 CDRIPUJFDWGHPF-QQXMDYFESA-N 471.558 0.588 30 20 JCED Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)cnc2c1 1797066839 PTROVBPMJLJRLA-XEMDLRDOSA-N 466.542 0.488 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)n(C)c(=O)n2C 1797502708 UZFXKWMOMNMFHO-BZYLRBNYSA-N 451.527 0.987 30 20 JCED COCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236271 CAVRYKQPBJAOMM-OPVJXMOQSA-N 494.589 0.780 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2cc(C)on2)C3)c(C#N)c1 1799239715 IHDOTNFLKQCHPF-FEJSZKPUSA-N 481.509 0.425 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCCS2(=O)=O)c(C(F)(F)F)n1 1800391450 QBOLAORNGUKQHN-NOXHYTERSA-N 486.472 0.752 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C 1801244347 NZYVSTFTQDUPCQ-GCLMUHHRSA-N 489.573 0.473 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2)NC(=O)OC(C)(C)C 1801931578 PDSKAHXRSNLYGR-UIVXKWKOSA-N 491.593 0.769 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C2(N3CCN(C)CC3)CC2)[C@H]1c1cccnc1 1802486727 ASODWOMRFXUSFN-ALMZPBQYSA-N 480.613 0.726 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1807145809 PEPAFXKSISTXIW-WBVHZDCISA-N 453.503 0.884 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]2c2cccnc2)CC1 1808268445 YASUFRBCIZZOEK-HSALFYBXSA-N 499.616 0.914 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1810285059 XGVBVSNKAZDDCC-ILXXYDCESA-N 477.529 0.604 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C(C)(C)O 1812882779 RDTNVMBRJDJDAF-LSTHTHJFSA-N 488.541 0.840 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975423 WNPQTNRKOWJVLL-AZUAARDMSA-N 453.605 0.375 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCN2C(=O)OCc1ccccc1 1828663287 XAMRQOSCSKOMER-XMMPIXPASA-N 493.476 0.336 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)/C=C\C(=O)NC1CC1)CCN2C(=O)OCc1ccccc1 1829116747 YESZCPQZZHAJLE-VBKSFVIKSA-N 464.522 0.907 30 20 JCED C#CCCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1829377484 LMHGJNRFZVPCTE-XMMPIXPASA-N 457.527 0.943 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C3)C2)C1 1829661200 OVNZZYJZQISRQS-VGOFRKELSA-N 453.536 0.295 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1829691863 OJPHAJKHOBHJIS-RLSLOFABSA-N 493.601 0.864 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2)C(F)(F)F 1830351623 AMUVZDSLGGTAHA-NRJQMVOHSA-N 499.486 0.741 30 20 JCED CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1830518143 AJMYFHIHKGWBGJ-HNAYVOBHSA-N 456.421 0.813 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1830884378 UYWLGOYVTLNROK-LLJLJFOGSA-N 499.605 0.292 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1830884381 UYWLGOYVTLNROK-YTZAWJCFSA-N 499.605 0.292 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831201500 NVYMDHHAPNGTPT-XMMPIXPASA-N 472.542 0.943 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1831402423 YMFNTYLGHNPXOJ-GCJKJVERSA-N 450.532 0.414 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)NC(=O)OC(C)(C)C 1831579114 RJIYEDDPLMPSJA-SAHWJRBASA-N 496.561 0.411 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1831951229 ISCCBIDCANUPPT-VJIOCRDPSA-N 462.503 0.689 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncc(OC)c3)CCO2)C1 1832916329 POXORWFAFDHIFN-XMMPIXPASA-N 475.542 0.989 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccc4nncn4c3)CC2)CC1 1833075230 XKNBPGMUWYXYST-WAYWQWQTSA-N 465.558 0.773 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834450518 MTACRHWLWUCRID-SBUREZEXSA-N 475.546 0.407 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834773838 CKRUEICJFQZZES-ZFXIOAMPSA-N 453.492 0.091 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1834945297 YVFAQPXCEXXJEV-JPYJTQIMSA-N 468.595 0.864 30 20 JCED O=C(/C=C\C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)NC1CC1 1835659540 JPHNESRLJMTGBF-OBNYOXFDSA-N 475.590 0.922 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)CSc3nc[nH]n3)CC2)CC1 1835732649 SZCKFYAEIADGIT-ZVHZXABRSA-N 462.624 0.940 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836297719 FYMUSSFVSGSTLS-ZHRRBRCNSA-N 478.550 0.653 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1836865265 ZCIFUZQLNBBPEF-HNNXBMFYSA-N 458.519 0.621 30 20 JCED CN1N=C(C(=O)N2CCC(OC3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)CCC1=O 1837056184 OBPQZVDNZSJZHT-UHFFFAOYSA-N 460.579 0.875 30 20 JCED Cn1nc(C(F)(F)F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443856 LPXOGBMTQBIIDJ-GRMYTIJRSA-N 486.495 0.981 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2)C(F)(F)F 1837502682 MGVWWHRSXGGAHX-YJBOKZPZSA-N 466.409 0.056 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837524378 AGFUCPBMCBJCFR-UAKUEULBSA-N 495.573 0.951 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1837524552 JCFOZGUFVSFHCE-QVJNVZBHSA-N 486.529 0.417 30 20 JCED COCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837528353 HNCLPRGKRPCCFM-IANVCVOOSA-N 466.491 0.420 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562518 MKTBDBIDDUZQHV-LKRPIWMCSA-N 494.545 0.041 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837566893 RYKSQPOSNYCAJA-SNMORSHISA-N 470.408 0.606 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1837581131 PULPLXCFNWXTIY-HXUWFJFHSA-N 473.574 0.812 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839101266 LTFIZCACONBXPZ-GEYWLOKFSA-N 453.511 0.717 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)CCO2 1839139640 OJYOOLSSAMMSLH-DEOSSOPVSA-N 499.605 0.967 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1)C(F)(F)F 1839210476 QNCAFMFYNZJHMJ-MGPUTAFESA-N 495.495 0.837 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1839421930 UHTLUPZUJIJETD-NQIIRXRSSA-N 465.503 0.345 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c(Cl)c1 1839425136 NXXHQQNRRLXJRM-NRFANRHFSA-N 458.906 0.963 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCN5CCCC5)C4)C3)c2c1 1839489325 RHIXJZFEDNFXAD-DEOSSOPVSA-N 466.542 0.990 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839637153 YKUAWBCGQCYQIH-BNTSDIQESA-N 499.568 0.738 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839647496 IOFVMCDSQFFOJG-MIASLSAKSA-N 452.508 0.012 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839666718 GPLROFARZYXQQB-ZHUZAGQNSA-N 483.525 0.368 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(n3ccnc3)CCN(C(=O)OC(C)(C)C)C1)CCO2 1839742068 MUSXQOZAYCZNPS-DNQXCXABSA-N 487.557 0.309 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)C2)C1 1839805244 FTYJCOTWLWRCCA-SBUREZEXSA-N 463.531 0.245 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)CCO2 1840048289 ZLPOQZPEPIRZOZ-JOTIYABQSA-N 479.574 0.778 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840163995 VQYQFVPHQMJZOT-UZUQRXQVSA-N 479.599 0.866 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN(C)C)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251386 AEXUHCHWQLBHBK-YADARESESA-N 480.606 0.960 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1840295531 URDPLGSWTRUFGL-NFBKMPQASA-N 459.547 0.107 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840382281 UFHVKBRGKRAJHH-NRFANRHFSA-N 472.527 0.304 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)C3)C2)CCC1 1840813054 ATTSHLCKZRRBJI-WNSKOXEYSA-N 471.514 0.143 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)on1 1840818719 UGUOEZPQJVQUBK-HSZRJFAPSA-N 454.483 0.933 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845874411 DQGFHZGBNUQCIC-ZWKOTPCHSA-N 497.577 0.321 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(N)=O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195383 KCTHCQAUCGPUNE-GOSISDBHSA-N 498.536 0.513 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccc(Br)s1 504577482 KQFJTXVZMMOVAE-UHFFFAOYSA-N 465.395 0.863 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] 604159423 QLHFJASPVSBWMH-UHFFFAOYSA-N 473.467 0.947 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc2c(c1)OCCO2 608855218 BKFMWTZWWDYVAX-UHFFFAOYSA-N 493.589 0.932 30 20 JCED CSc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)cc1 608912800 DLAKXLAVLSJFMH-UHFFFAOYSA-N 492.648 0.306 30 20 JCED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 728255008 RVBMPYVMKICGML-UHFFFAOYSA-N 484.582 0.574 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)CC1 728530394 CEPGVLOYPFXVQZ-UHFFFAOYSA-N 473.578 0.666 30 20 JCED Cc1ccc(F)c(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)c1 744121561 HMYSKALKPSCFDF-UHFFFAOYSA-N 453.499 0.442 30 20 JCED COc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 837040902 IVEQOHCVYQGMFQ-GDBMZVCRSA-N 473.573 0.544 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NCC(=O)N1CCCC1 857750121 QDLHNQFHTCXLIK-QHCPKHFHSA-N 454.483 0.433 30 20 JCED CCN(CC)C(=O)CN1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 917082624 YNWTZYMTWFCJRX-UHFFFAOYSA-N 463.604 0.908 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 919315861 OISRGDRJXQOJEX-RBUKOAKNSA-N 498.579 0.211 30 20 JCED Cc1oc(NC(=O)[C@H](C)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C 1167772201 JSBSSTIXKNDPRF-GOEBONIOSA-N 451.549 0.016 30 20 JCED CCOc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1198957928 PSIFOKBPVIMWBN-HNNXBMFYSA-N 456.546 0.623 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(O)CCSC1 1303403191 VFUVKWQETPUHAP-OAQYLSRUSA-N 456.576 0.878 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1503817827 INZQRXXYEUCRFX-LJQANCHMSA-N 494.600 0.998 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1546588039 OYOXCUJNNISJRA-SFHVURJKSA-N 473.559 0.479 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CCO1 1554452531 YQKZUDFODREOAV-HXUWFJFHSA-N 477.525 0.735 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(-c2ccccc2)c1 1692799060 FFQGCCWQFIJFBA-QAPCUYQASA-N 456.532 0.851 30 20 JCED CCCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1695205231 LUDGWWMOGUWUFG-LPHOPBHVSA-N 457.576 0.785 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1=O 1712479125 RGZUYAZSJDOBMT-UHFFFAOYSA-N 467.530 0.361 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1731189866 NOQWCGVIXFXXQT-RBSFLKMASA-N 478.497 0.172 30 20 JCED C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1761436568 YNMXIWNTGRGJET-GOSISDBHSA-N 473.603 0.867 30 20 JCED Cc1n[nH]cc1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1761607840 WMWFIBCTZKFALZ-YJBOKZPZSA-N 461.596 0.729 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1 1779016378 FOZAZOOKADLRKD-JECJHWOISA-N 476.599 0.934 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1779200919 RDFXUMVVPZSILH-NQSCKRDGSA-N 465.547 0.263 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)cc1 1780695419 HIBDLRNUBBWWGQ-NRFANRHFSA-N 455.496 0.467 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)N1CCN(C)CC1 1781093798 AQOFUVOBFAYJIA-UUOWRZLLSA-N 457.550 0.706 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2cc(C)c(O)nc2=O)CCO3)c(C#N)c1 1781175843 SSJUTVVYIUJVBU-DEOSSOPVSA-N 481.509 0.210 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781380646 SYTOSUDCAPJEPR-XMMPIXPASA-N 486.606 0.885 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)cc2C1 1782561295 OJWQLDDSMIBQIN-KTGCVPNGSA-N 474.562 0.691 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)C[C@@H]21 1783528314 MMOMEFXPSIKAON-YSMJTFFMSA-N 478.590 0.985 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)CC)CCO2)C1 1783884584 TVQGURHWZLAPGU-QMHKHESXSA-N 496.561 0.601 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783995346 PKQSSFLBCJJJPW-ATIWLJMLSA-N 470.567 0.653 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785725779 XYKSXNMBBRQWON-YIPDWCHPSA-N 492.573 0.311 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786362079 JAQLLHBSOHZBHU-UNNAKYGESA-N 470.592 0.542 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)n1 1788731484 LRVZSGURZNFVPT-ACRUOGEOSA-N 484.597 0.965 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]2C1 1791304299 ZJKHJJDXGKOQRD-NXOAAHMSSA-N 483.587 0.701 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21)c1ccc(O)cc1 1791334384 HMQRSWIZRADBSE-ZFMNYDKASA-N 462.568 0.914 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4C(=O)C=CC4=O)cc3)[C@H]2C1 1792072336 XQUSSXYNROJGIT-LGYWMIHWSA-N 465.506 0.748 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(N4CCCNC(=O)C4)n2)C3)C1 1792437038 HBQWQIGPWZEPJH-OPMZPASUSA-N 453.543 0.577 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(C(F)(F)F)cn3n1)C2 1792488483 CNTBTQLQOCJSGK-KUIZXIRVSA-N 492.458 0.810 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1793592208 ASELKYUBJPCPSZ-QLCXLMDBSA-N 464.563 0.572 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794009380 QWQYSXHGTVMZHC-QKPAOTATSA-N 463.535 0.646 30 20 JCED Cn1nncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1794230476 MNPYBPYIVNCXNV-OCVGTWLNSA-N 482.607 0.620 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(-c2cccnc2)c1 1794445133 URKWDCRZPPJSTE-RMFSNUHRSA-N 453.499 0.980 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n[nH]1)C(C)(C)S 1795695244 YAYJZWMIBWZSHE-NOXHYTERSA-N 483.591 0.920 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1797119372 AVHBYMUJJNFSIU-HAEOWDPNSA-N 457.593 0.512 30 20 JCED CCSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797710127 HQLUZVLPKHVMGX-YYAJDYIMSA-N 483.587 0.701 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2)c1ccc(C#Cc2ccccc2)cc1 1799613056 GAUYGBMBGLWZII-BRTYFSMRSA-N 486.528 0.841 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800322566 DWFHWTAHTOTWPE-QOIYZWAUSA-N 458.519 0.747 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2)NC(=O)OC(C)(C)C 1801931081 BUEYZAXONGLOPN-QRXRQMIZSA-N 464.563 0.714 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802924848 GHSNIAKXCVIHHI-OIMWQHCXSA-N 460.531 0.868 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807145294 IUNPAINCFFWIMG-LPHOPBHVSA-N 477.529 0.414 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807946507 SBROKPDEVZCEEM-UWJYYQICSA-N 490.524 0.226 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C#CC3(O)CCCCC3)[C@H]2c2cccnc2)CC1 1809668749 KPYXBZMBGJSSKX-BVAGGSTKSA-N 495.624 0.950 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCN2C(=O)OCc2ccccc2)C1 1829016766 FTFRHZGUQPIDEI-HRAATJIYSA-N 473.559 0.444 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829121284 OHYRWXQIALLLAH-HSZRJFAPSA-N 466.498 0.618 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1829765108 GXHLCLDCUYMCFR-HOSHAOQPSA-N 456.543 0.044 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1829765964 CCZNVPLMTSJIKI-UZQCKINESA-N 453.499 0.263 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352562 QUYBFWSMISRTRA-RZTXVSJASA-N 471.554 0.426 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1830466559 FMNDNTQNEIMXRF-HSZRJFAPSA-N 459.930 0.770 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831136505 HLAWIUOHEOXGMR-QHCPKHFHSA-N 480.562 0.678 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1831437800 GPAIUDLCZTYOBY-KHCICDEESA-N 497.589 0.670 30 20 JCED C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)C(F)(F)F 1832149902 RPEXAASGCNSGRO-PMACEKPBSA-N 455.433 0.870 30 20 JCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](Cc4cnc[nH]4)NC(C)=O)CC3)CC2)C1 1833050769 DTAFUYXRPCLGAG-JOCHJYFZSA-N 456.591 0.995 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833452060 UDPQKAGMIXBEBP-HNNXBMFYSA-N 464.592 0.399 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cn1)CCO2 1834477780 ZCEYKXXIHGYGGQ-WWCXEQRYSA-N 450.467 0.820 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835352044 LJTKRMBCAWOWCJ-IIBYNOLFSA-N 454.524 0.022 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835355130 VHKJZCYOJAIRSJ-VGOFRKELSA-N 466.535 0.382 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835495611 MCUJDDATRKTDCX-GBXCKJPGSA-N 469.542 0.910 30 20 JCED CC[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)N(CC)CC 1835674696 FCAOEQGYOJPLGH-CVDCTZTESA-N 451.612 0.845 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835690631 SZNPEHGWNPHGNT-FIRSQWHBSA-N 475.546 0.867 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1)c1ccccc1 1835743831 PVOJESDLPWHUPD-BPYKYCOYSA-N 470.570 0.233 30 20 JCED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)C(=O)O 1835767672 LHMDREMWJYSAFL-IVLDLLIGSA-N 467.567 0.150 30 20 JCED CC(=O)NCCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835768306 XTRVQJNNTJAKEO-ZHNJOBQTSA-N 451.568 0.613 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(-c4ccccn4)[nH]n3)CC2)CC1 1835957281 CPWMHQFADZZZAM-UHFFFAOYSA-N 450.499 0.745 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO3)c(O)n1 1837204502 XSTHDPSBCURDJG-XXBNENTESA-N 492.529 0.040 30 20 JCED Cc1cccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837524947 JQCODSIYQJTGGR-ZZTJDXDDSA-N 460.531 0.918 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1837528408 JLEZHEIVZGXJER-GVXOCLJHSA-N 473.526 0.976 30 20 JCED Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1Cl 1838308318 KBZHSHYEBAFLMZ-NVAXRVGSSA-N 452.943 0.615 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCN(C)C4)C3)C2)c1 1838584928 NYAIQAABXBMUAY-CYFREDJKSA-N 456.543 0.979 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1839044376 CBWGKJVFDMEGRD-HSZRJFAPSA-N 474.583 0.542 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C3)C2)c(C#N)c1 1839131552 KBQWTGDOYKTYAR-NHCUHLMSSA-N 485.459 0.879 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnc(C)n4)C3)C2)c(C#N)c1 1839132513 IHBZYLSMWKVKDC-XMMPIXPASA-N 465.510 0.978 30 20 JCED CN(C)C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2 1839442935 HXCZTTDAEIDTKJ-HXUWFJFHSA-N 468.432 0.735 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476307 HDGNHXNTXFNWEQ-ZHRRBRCNSA-N 484.546 0.890 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3ccc(C(F)(F)F)cc3n1)CCO2 1839482841 JAJRNZUVFBEMKF-FQEVSTJZSA-N 480.399 0.511 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOCCOCCOC)CCO2 1840075883 GSSCSHNSJMKZOH-QHCPKHFHSA-N 472.579 0.495 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840289804 NRSUUIKOTTYIOX-HJPURHCSSA-N 478.546 0.919 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840321659 FKEXFBZRICXAQC-HXOBKFHXSA-N 498.577 0.658 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)n1cnnn1 1840476889 SUWKYEQMAAGUMC-UTXAPGEGSA-N 460.516 0.191 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1)NC(=O)OC(C)(C)C 1840795917 JGBXUMLCFBEXOI-WZONZLPQSA-N 485.578 0.311 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840801063 IEFYHWBRKCGPSB-HTAPYJJXSA-N 453.536 0.396 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)[nH]n3)C2)C1 1840908667 GBZUHBGOMTWTGA-GAJHUEQPSA-N 475.546 0.705 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1840908689 OLARTUNZMLKHDM-JXQFQVJHSA-N 479.574 0.786 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)C(C)(C)NCCC#N)C2)C1 1842920786 ZUYSCEXOZCMBSF-IAGOWNOFSA-N 463.579 0.699 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1845210004 QQXYNLFHVPOJFX-RBUKOAKNSA-N 471.558 0.654 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845874232 KJXBABWFKKQVCU-OWCLPIDISA-N 465.576 0.171 30 20 JCED CC(C)(C)OC(=O)N1CCC(CNCC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CC1 1846195236 RSOOKRJYCRQJPL-UHFFFAOYSA-N 462.547 0.515 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)c2C1 1846195797 DPXIVDNQMLDZDV-UHFFFAOYSA-N 457.487 0.539 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1847069845 SWSMGORDVZIOGK-KKUMJFAQSA-N 477.587 0.909 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1847261659 YOYKHOMCVUWJRC-AKSSPNHOSA-N 462.547 0.683 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)C2 1847805815 PZHPPBFGWWHBGQ-ODZAAPRTSA-N 488.585 0.600 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O 117442696 WXJSBOYAGYNCBA-UHFFFAOYSA-N 452.389 0.967 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 516063636 WTLOTBUGDOBERX-UHFFFAOYSA-N 460.516 0.545 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 520198881 JMHDZGJCIBTXNE-UHFFFAOYSA-N 499.505 0.369 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c(Cl)c1OC 520763784 AZVXAPNFMAFXHZ-UHFFFAOYSA-N 490.969 0.628 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CCc1ccccn1 522384067 GMCQWOLYHAXVAW-UHFFFAOYSA-N 494.573 0.830 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 608888445 LCKSAXOAOXKHFO-UHFFFAOYSA-N 470.507 0.592 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCCC(=O)OC)c2=O)s1 609416885 XTKVVCVZTHSCPL-UHFFFAOYSA-N 475.592 0.849 30 20 JCED Cn1ncc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C(F)F 727566076 KOLIILGEBUDLNW-UHFFFAOYSA-N 467.454 0.919 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCS(C)(=O)=O 730801643 FCDLCUPTCIVFAL-UHFFFAOYSA-N 469.535 0.652 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)C1 913174161 XTKRZCSVLUJZRB-GDBMZVCRSA-N 451.501 0.570 30 20 JCED COc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1S(=O)(=O)N1CCOCC1 915777975 QEWXJWCHWCDRFJ-UHFFFAOYSA-N 488.526 0.150 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(C)=O)CC1 1286629958 OSUWYAVKGIFWJW-MRXNPFEDSA-N 460.988 0.811 30 20 JCED CC(C)CN1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1287741649 IVYAIMWUOLOWBL-ZCNNSNEGSA-N 495.650 0.708 30 20 JCED CC(C)(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302314220 PPBHGQMOYVLZHT-QGZVFWFLSA-N 463.608 0.904 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1315067236 KXHQLYKIUCSSEB-UHFFFAOYSA-N 455.548 0.426 30 20 JCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)CCOC1 1502719525 ZOHREMATANQLFU-HNAYVOBHSA-N 471.484 0.785 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1519151208 JEGPSORMLORUNZ-IBGZPJMESA-N 467.530 0.613 30 20 JCED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1552456186 LZBVQZCTHDGNBO-AYLZSAKASA-N 460.560 0.839 30 20 JCED C[C@H](CN1CCCCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1692737255 ROUIZYOYWADXCP-QYZOEREBSA-N 481.623 0.462 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1=O 1698087775 JKDRJQIFVURSFV-UHFFFAOYSA-N 467.530 0.361 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCc1ccccc1 1723780057 PHDKXBFWENPEHV-IEBWSBKVSA-N 489.602 0.708 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749269096 MXOIOUZIEWCMML-CABCVRRESA-N 460.988 0.859 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCCC1 1761499076 ZLDWPSKTFVCLDV-KRWDZBQOSA-N 473.607 0.577 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cnnn2)C3)c(C(F)(F)F)n1 1777755348 JSEUWSYHHVUDRQ-DNVCBOLYSA-N 478.435 0.786 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778116833 HOQJYXPEGVDSOM-UTKZUKDTSA-N 457.593 0.061 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CCO2)C1 1778972261 AXEMXFFFSPGAGI-XVTZWQNCSA-N 497.589 0.846 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5n[nH]cc5[N+](=O)[O-])C4)C3)c2c1 1779387409 SRFIYONDZXGCNI-HXUWFJFHSA-N 450.415 0.823 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780200581 DQASLHKTYZNWLE-SBUREZEXSA-N 471.514 0.695 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CS(C)(=O)=O)C3)c(C#N)c1 1780686902 RQQWXJUSSZKEAA-DENIHFKCSA-N 463.556 0.668 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)ccc2F)C1 1781103481 GHMMQYQPWYMWKA-MIZPHKNDSA-N 460.506 0.976 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1)NC(=O)OC(C)(C)C 1781425455 FYWNBORLORIDDP-VGOFRKELSA-N 462.551 0.968 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cc1ccc(C(N)=O)cc1)NC(=O)OC(C)(C)C)CCO2 1783046398 NPNYDWTZUMCPRK-CLOONOSVSA-N 484.553 0.684 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C13CCN(C(=O)OC(C)(C)C)CC3)CCO2 1783056012 KJAHGKAQZHBLNW-GAJHUEQPSA-N 474.558 0.213 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCCCNC(C)=O)NC(=O)OC(C)(C)C)C2)C1 1783673896 UTOBKPQFSTXJOC-MBSDFSHPSA-N 464.563 0.649 30 20 JCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C2)C1 1783723720 DUFXSAOJPJQQMQ-IBGZPJMESA-N 454.936 0.752 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622924 ZLTPKTCJSPYKQO-UZUQRXQVSA-N 479.578 0.572 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)c(O)n1 1785774156 RAZQSPSKWVHNNV-YYWHXJBOSA-N 458.559 0.831 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCc5nc(N)n[nH]5)C[C@@H]43)c2c1 1790327521 PDHXAROTTOSBEU-QRTARXTBSA-N 463.502 0.361 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)O[C@H]2C1 1791036504 PFEXUYGAPFXQRZ-WXJALIKYSA-N 462.547 0.904 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21)c1ccc(O)cc1 1791331463 YCBQPIJEKHCFOI-UMBQZNGKSA-N 471.554 0.932 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)C1 1793258609 PHDYOKMSAJDBLC-XQPJFTJZSA-N 461.559 0.607 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2 1793597281 ISLRKTIZLOVOOZ-DFGXFYAUSA-N 483.635 0.529 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc2c(n1)OCCO2 1796283012 IOVSCKOERWATPG-UHXXWTPBSA-N 460.487 0.585 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)n1 1796719858 JZZWNFHYNWYTOO-UWBSXTGSSA-N 457.443 0.914 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798566690 WRDIRROCMOSSGN-QXGSTGNESA-N 450.557 0.993 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1799354162 UUEVJKRVCGFGHO-ADHGMGHFSA-N 469.579 0.425 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)nc4cccnn24)C3)c1 1799746592 CJSSWPFGMNHZNB-USGNIVHTSA-N 462.441 0.617 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800525327 DWJPJGUNKFCBOD-PKRADWSKSA-N 476.574 0.409 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C 1800823776 GXBGYWLJIQIFRW-ZLXUVUDQSA-N 457.593 0.655 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cccnc2C(N)=O)[C@@H]1c1cccnc1 1802477608 QKQABXURNXSQDD-HTNYWEHUSA-N 462.510 0.754 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)ccc1F 1807048093 PGJOZGGXUHZZGY-DHJUGAMNSA-N 466.517 0.934 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807120349 QAQAASCYTSYOHX-CVDCTZTESA-N 461.526 0.878 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828578973 APCONWSGSCYXQL-NTKDMRAZSA-N 495.540 0.164 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCN3CCN(C)CC3)C2)C1 1829262684 WHVUVRAWEBEDDK-SANMLTNESA-N 481.597 0.709 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1829269101 HBPKGFJCWTWFNW-VWLOTQADSA-N 493.520 0.343 30 20 JCED CC(C)(C)[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330642 NAVPJDGVHJXPPZ-OFVILXPXSA-N 485.537 0.934 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)cc(F)c3)C2)C1 1829773679 QBYGBNCGNWNFHP-WRAFWBCBSA-N 459.518 0.991 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461511 MRMCZTLZTFQCOT-RDPSFJRHSA-N 454.527 0.568 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1c(C)c[nH]c1C)CCO2 1830894878 HFOPXIBBWSZWER-XTGFCRJSSA-N 458.559 0.879 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831188762 VMBJEQLWNNAROT-IQMFZBJNSA-N 468.514 0.419 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207383 HHAHTESMNWURBL-MOADCYBESA-N 469.538 0.036 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)C2)C1 1831401875 HWHZABZRMDVNEO-IFMYCSEXSA-N 491.585 0.879 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1 1831998157 KGZSPCVGWHRGKM-GAJHUEQPSA-N 477.562 0.960 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)CCO2)C1 1832100257 ULFDPWFJDXJSHC-AVRWGWEMSA-N 490.553 0.750 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832522578 RBITZHACYHEQNK-XWEVFREBSA-N 452.548 0.751 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4noc(C)n4)CCO3)C2)c1 1832930524 IGKRDOTWZSGCEK-QFIPXVFZSA-N 455.471 0.571 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)N1CCN(C)CC1 1835102761 XLHHTCIRMRBOAY-OFVILXPXSA-N 454.571 0.130 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1835103090 VDWPLNFSLJTERY-DEOSSOPVSA-N 463.469 0.990 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2)c1ccc(O)cc1 1835262194 YCNYAXCVDRGQKU-WMZHIEFXSA-N 478.567 0.390 30 20 JCED CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(=O)c1ccccc1 1835675556 WBAGHPTUFHHBLY-VWLOTQADSA-N 485.585 0.497 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1835677393 PRNMQVYUNVEGKN-QHCPKHFHSA-N 454.531 0.686 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1)N1CCN(C)CC1 1835780414 MZTORCSIUVBMJU-AHDHHBBCSA-N 472.634 0.906 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836052042 KLPMCKIVZBPARE-DEOSSOPVSA-N 456.543 0.564 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836203930 SQXDBGDVFQSYNY-CYFREDJKSA-N 489.573 0.565 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4cccnc4n3)CCO2)C1 1836830878 HDQSKVRURMFJEW-XMMPIXPASA-N 466.542 0.982 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1837393536 UPQCIJIWJFJGQX-NLFFAJNJSA-N 473.570 0.788 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445948 CTLHRBNGTFZKCG-NPJIFZGSSA-N 454.524 0.476 30 20 JCED Cc1cnc2c(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)cnn2c1 1837491123 JRGQRDIDFBPBAU-VWLOTQADSA-N 481.553 0.806 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837643092 HCCOXDJWDQWNFZ-SALYICCVSA-N 473.555 0.871 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1839130894 ZOIJESSWUGBIMN-IMWIBFENSA-N 494.589 0.274 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1839174957 GHRRUZOJXCGKHJ-QHCPKHFHSA-N 456.499 0.914 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)ccc1F 1839186534 ZRVCAXPYFSZJHR-LADGPHEKSA-N 467.501 0.791 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1 1839190887 JAIBYVSMMNOBCS-HYBUGGRVSA-N 473.526 0.903 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1839225692 QVYGWEYOEMGSCH-NTKDMRAZSA-N 489.573 0.789 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363238 PNLARNFTXCZTST-SBUREZEXSA-N 457.531 0.530 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C(=C/c1ccco1)NC(C)=O)CCO2 1839389070 URJLVRVTRBESIW-YINDRKJMSA-N 486.525 0.071 30 20 JCED Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n1 1839487863 ZGQKQNLTSUQIKI-HSZRJFAPSA-N 463.498 0.710 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1839670616 RUHTYIOMYKEASH-QHCPKHFHSA-N 467.482 0.511 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(I)c3)C2)C1 1839809519 UMRGZKNAUZQNMG-GOSISDBHSA-N 454.264 0.994 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cc3cccc(O)c3)NC(=O)OC(C)(C)C)C2)C1 1839809653 FFDDVWSMMCSQOL-CPJSRVTESA-N 487.553 0.918 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)CC3(F)F)C2)C1 1839809781 LEEFBTOLMDHYCZ-IIBYNOLFSA-N 471.501 0.968 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)C1 1839811616 FDWMBPHAXOBHNA-QHCPKHFHSA-N 493.557 0.316 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1840108005 CHCIRKXGWJAZOZ-GGUMNFRJSA-N 494.589 0.438 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1)c1ccc(O)cc1 1840222015 ZLSZPGHOAOSFQE-NLFFAJNJSA-N 483.569 0.186 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1840222035 AHVKPMAYIINDDO-NRYAXDJKSA-N 482.541 0.593 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840540666 CIXPRRYYTHZSOL-STSQHVNTSA-N 465.547 0.396 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840835297 GSHZHJZHRUQOMT-GAZXMLTASA-N 477.558 0.891 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ocnc3C)C2)C1 1840906745 JBXKBAJRRRHLQG-HXOBKFHXSA-N 476.530 0.970 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3C)C2)C1 1840907242 RPHJGDBYIOMNJK-WZONZLPQSA-N 476.530 0.970 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1840909615 XZFFEOTWRAEROF-IVZQSRNASA-N 493.586 0.712 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)C)C2)C1 1840909626 YAXHKSJGNDCDBS-YADARESESA-N 480.606 0.748 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1840916252 DYXILQKGITUHFL-PDSXEYIOSA-N 475.608 0.425 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1841298872 XHFQZRZNYXNUDV-YLUBHUBKSA-N 454.524 0.604 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 10666650 JSNCMAPISWPZQJ-UHFFFAOYSA-N 468.557 0.902 30 20 JCED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 109891696 KSROWZHBOPNDKK-NVXWUHKLSA-N 475.552 0.564 30 20 JCED CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 518132144 DKZLJTGSWQZOFE-UHFFFAOYSA-N 476.536 0.433 30 20 JCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCNS(C)(=O)=O)c1=O 608912905 JLUUWXFDPLDBHB-UHFFFAOYSA-N 480.637 0.391 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 728572969 GTWFXPYKCUUHCH-UHFFFAOYSA-N 483.594 0.817 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 729257631 KMMKJOAZZHJGTI-OALUTQOASA-N 476.599 0.382 30 20 JCED CCS(=O)(=O)N1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 748056398 GMIQAEWHXAOURM-INIZCTEOSA-N 456.590 0.634 30 20 JCED C[C@@](C#N)(NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C1CC1 748125456 GMKQAYXAFHUUAF-QOKNQOGYSA-N 455.920 0.816 30 20 JCED N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 771193179 XQRGHRDJSLTAAG-NVXWUHKLSA-N 468.919 0.663 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(-c3cc(C)on3)c2C)c(=O)n1CCOC 838277123 JJVHEDGJJNIOHA-UHFFFAOYSA-N 499.593 0.916 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(OC)c1 839303990 WAFYVBSYXVMQMD-UHFFFAOYSA-N 453.524 0.297 30 20 JCED C[C@@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC(=O)NCC(F)(F)F 887571981 JBETWPSRCRJKQH-SNVBAGLBSA-N 464.422 0.825 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 913300703 UMMHMXMBPORYPY-GOEBONIOSA-N 471.557 0.194 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cn(-c3ccccc3)nn2)CC1 914942952 PGRBQKUCIXONNP-UHFFFAOYSA-N 480.506 0.829 30 20 JCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc3c2OCCCO3)c1=O 917768430 FZJXWZVDMOPGJH-UHFFFAOYSA-N 457.552 0.993 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)cc1 918267437 SLQOLBHYXSOOTP-JWGURIENSA-N 487.604 0.272 30 20 JCED CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918424417 UOMCVBVBVNXDIU-PDNPPFGYSA-N 454.549 0.588 30 20 JCED CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 918819320 PTHUQZOUWVXQNJ-HNNXBMFYSA-N 450.517 0.176 30 20 JCED C=CCn1c(S)nc2cc(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)ccc2c1=O 920267803 CQYYZTMAAYFYMZ-UHFFFAOYSA-N 451.574 0.178 30 20 JCED CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1502447148 KOTSAFCJUUJBNQ-SFHVURJKSA-N 486.602 0.950 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 1536541720 JCUGSAUJTYKZPH-SFHVURJKSA-N 456.524 0.311 30 20 JCED N#Cc1cc(Br)cc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 1621623705 VIXBSLLZXQHLJR-UHFFFAOYSA-N 457.350 0.486 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1637499481 WOWGGEQJNVGFCU-GDBMZVCRSA-N 456.590 0.680 30 20 JCED CCCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1695204457 IYKRFOLPLNGHMO-IAGOWNOFSA-N 455.585 0.072 30 20 JCED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)c(=O)n1C 1707500117 MDGXLFJJGCCYSY-SFHVURJKSA-N 475.575 0.406 30 20 JCED CN(C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1711011220 UUPKQUUYVAOTPW-KXBFYZLASA-N 457.576 0.641 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1=O 1722871294 ZQIANTAUADEFLF-IAGOWNOFSA-N 467.596 0.609 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCOC1 1751222471 IVFRAVSSSIOLTQ-KKSFZXQISA-N 475.575 0.238 30 20 JCED CC(C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1761245945 PZKANWKGAIKRFX-QGZVFWFLSA-N 480.577 0.806 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1779016426 USIXGVUHEBDABI-OTZYPNAKSA-N 470.574 0.833 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1779340096 UKSOQWPZWISFRM-PMAPCBKXSA-N 476.530 0.844 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2cnccn2)C1 1779471900 XXVSHPAKDNKNIZ-AVDZWTPASA-N 473.574 0.682 30 20 JCED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCS(=O)(=O)CC2)C3)cc1 1781009387 KQEXCBFJUGVPAC-ZJSXRUAMSA-N 488.610 0.611 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1781169650 YDPRIMNYAQJLDD-UZUQRXQVSA-N 480.562 0.869 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1781290832 JYOIFWZDWGQESH-AOMKIAJQSA-N 452.552 0.812 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)CCO2 1783562784 HSHYDOURFGWXNE-GOSISDBHSA-N 466.244 0.889 30 20 JCED COc1c(Br)cccc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563368 PSDIIQVQLKAUDJ-IBGZPJMESA-N 451.273 0.989 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)NC(=O)OC(C)(C)C 1783787448 NIVUWKFFIVFSEW-JZKQVHKSSA-N 459.565 0.591 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)[C@H]2C1 1784195566 YWMJEFJXTUGBDE-XAJHFOFHSA-N 457.593 0.920 30 20 JCED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1784453570 ARWGMWOVEYWGAM-VDGAXYAQSA-N 463.556 0.524 30 20 JCED Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2Cl)CCO3)c(=O)nc1O 1785352873 BCJCTLDCERGJDP-JOCHJYFZSA-N 471.901 0.926 30 20 JCED Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)c(=O)nc1O 1785353272 IZIPHCIZLOLJBD-JOCHJYFZSA-N 455.446 0.412 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1785571076 AAPZGHDQXLCEBP-MBSDFSHPSA-N 457.531 0.766 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1785575623 AQAHWGPQAKNPKX-KSFYIVLOSA-N 463.531 0.686 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1785596644 PMUMUBIENDWYTC-HKHQJRESSA-N 462.547 0.422 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4CCOCC4)cc3)[C@H]2C1 1787545544 YOBCKULIGCCEIN-HPHVPLLISA-N 482.581 0.975 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1nc2ncccn2n1 1787937043 DOJXMVKCCBNGAO-MEPFGLIHSA-N 457.491 0.247 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1788606519 VTPMIFNRISBFMJ-UBMXVSIRSA-N 467.617 0.298 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)N4CCOCC4)[C@H]3C2)c1Cl 1788651694 AXHRZUKABBVIJE-JVGYHMDPSA-N 462.934 0.456 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(C(=O)OCC)c3)[C@H]2C1 1789337882 SRHIOUZDIVOKIF-BRXVOJRQSA-N 470.526 0.710 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(C(=O)O)ncn5)C[C@@H]43)c2c1 1790328575 FWXPLKIWWDQPPD-RFUYNDQBSA-N 475.465 0.830 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4c3CN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 1790792269 FXVWQPIEAXQYSM-BQFCYCMXSA-N 457.531 0.860 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)C#N)C[C@@H]32)C1 1791329953 ONZRSPBUGKBZPE-DSFVOBFGSA-N 464.563 0.888 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)n4cncn4)[C@H]3C2)c(C#N)c1 1791612895 JLXGKMORAIIEER-GWKIZSTFSA-N 452.515 0.942 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@@H]21)NC(=O)OC(C)(C)C 1792110081 IJTVWKBJGKDQRB-ADHGMGHFSA-N 453.584 0.112 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1793357689 XAGJYQZLWRYGCT-DAUOMPHXSA-N 481.590 0.785 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)O2)cc(C(F)(F)F)c1 1793418887 DEZHPPJMPGXRDZ-XRGAULLZSA-N 452.389 0.889 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(C)c(C)[nH]c1=O 1794313339 ZJMLJXVMAJWMTC-MHORFTMASA-N 487.557 0.507 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)[C@H](O)C1 1795409436 HLBPQGAVGHQOND-CWQOZTLDSA-N 462.547 0.498 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)cc1 1795416027 LYMRZCXRGZMLAH-UPHUGPLXSA-N 456.524 0.736 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795969420 ZZAWMUAOBOOKIR-NZGUISNBSA-N 498.584 0.342 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2)[C@@H]1SC(=N)NC1=O 1796430109 ZVSHLYSBCHOYMU-UGXJIPPFSA-N 473.530 0.632 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1797729813 OJMDTTKDYRLYTF-HATOLVCRSA-N 483.707 0.358 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncn3c2CNS(=O)(=O)c2ccccc2-3)C1 1798411135 LNJCJMOMPMTAES-UPHUGPLXSA-N 497.577 0.834 30 20 JCED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1)c1n[nH]c2c1CS(=O)(=O)C2 1798494625 LFMXLNBBXUCQAT-BRAZCHQRSA-N 465.532 0.619 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO 1799339916 XQXULIIDEBTGTH-DMUMMCEESA-N 467.563 0.282 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1799746449 LDOVZIKVSBRRFB-HBCWATKFSA-N 452.446 0.154 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2ccc(O)nn2)c1 1800179261 ULPJJIPAFZSFLB-FAQVEIGNSA-N 451.483 0.898 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1800228270 IJRVEADHVRVCOV-LVZMMCSGSA-N 479.603 0.606 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c(-c4cccs4)ccnc13)C2 1800776002 NIZVGCGHEHCSLP-VTEUUUEMSA-N 465.491 0.749 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1800823569 GYJSELAROLTVPY-DTVVZGISSA-N 481.549 0.761 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1812712247 KFKJIXPGRVGWLT-RCZVLFRGSA-N 465.554 0.488 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cnc2c1 1812877501 MHPGYJGXBHBMKI-VGSWGCGISA-N 459.462 0.806 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816671615 RDYPFVYUVZCIQT-PORFMDCZSA-N 496.534 0.996 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)[nH]n1 1823386309 NSBNVAYFNCSSLF-RDJZCZTQSA-N 453.503 0.945 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1824009504 XTPNUAHAIQCOIQ-MONBJTKQSA-N 469.538 0.874 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)NC)CCN2C(=O)OCc2ccccc2)C1 1828575019 GUYYDASVPDEMMM-KBMIEXCESA-N 484.553 0.613 30 20 JCED NC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828576344 YYTNYCMJZHTMGI-XMMPIXPASA-N 467.526 0.520 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1828581093 YCOICCGXPSDTII-WZOHSFFVSA-N 484.553 0.611 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccon3)C2)C1 1829332481 NQTIUUXWPQONDY-HSZRJFAPSA-N 466.450 0.828 30 20 JCED CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCN2C(=O)OCc1ccccc1 1829346511 WGUBDEJSXSJROS-KSFYIVLOSA-N 462.572 0.893 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829372001 XRLBBUBFPRUKBX-NTKDMRAZSA-N 467.526 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1829770065 CZSRXGSLSFGSGE-GRDLIITFSA-N 480.521 0.337 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1830393464 OPVUVVQWOCVZNQ-ROUUACIJSA-N 465.547 0.970 30 20 JCED O=C(NCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)c1cccnc1 1830465990 YWSXHKYUBMQZTR-VWLOTQADSA-N 496.951 0.973 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1831208552 NKMCEIVPHWZGAO-GJZUVCINSA-N 465.550 0.905 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1831401621 DAQPWXZCJSNKQM-OPAMFIHVSA-N 482.530 0.338 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)C[C@H]3C=C)C2)C1 1831402621 MOZAAZQHRRVCKQ-ZSVMJGIMSA-N 491.585 0.951 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1831406864 JLGBXFMREFUDFA-JOCHJYFZSA-N 464.519 0.751 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1831418775 GQHSHBTXLJWASN-NIYFSFCBSA-N 499.564 0.649 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1831419526 NGZNUSZUQIZPSH-PNCHPQGNSA-N 485.578 0.310 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831966660 MDCYCADNXUFAJZ-NRFANRHFSA-N 453.442 0.939 30 20 JCED Cc1onc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1C 1831977203 CQWXEZDJUBSXPD-CMQXEDBBSA-N 450.492 0.890 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1832000830 ZBTVIGLBLGEZGY-MBSDFSHPSA-N 492.577 0.594 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)CCO2 1832005332 ZBVDFECUYNEBDX-FHJLPGHOSA-N 467.563 0.784 30 20 JCED COc1ccc(Cn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)cn2)cc1 1832783284 SCJRUTLZTXYYCH-RUZDIDTESA-N 496.520 0.027 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1832800506 SFPZHLHPLJEVFF-NRFANRHFSA-N 472.433 0.572 30 20 JCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1834527185 KCUYGUGVLQSUJI-QHCPKHFHSA-N 458.515 0.254 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCCCC1)CCO2 1835134571 LJOFBKQXFDBFDR-FQJGDMNZSA-N 466.579 0.848 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1)c1ccccc1 1835256244 DBGCRAUMACCFML-NZQKXSOJSA-N 462.568 0.685 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835341816 AJWROCJTDMILPL-HKARXFIJSA-N 478.546 0.117 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1835672557 DTVGDJQIJDUROP-NRFANRHFSA-N 464.498 0.134 30 20 JCED C=C(C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1)C(F)(F)F 1836051796 VNPQZGPJOVKDPP-UHFFFAOYSA-N 454.453 0.879 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836058671 QHAAAZLCFLRSDK-YADARESESA-N 491.589 0.888 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1836473319 BFFXDNMGFGQMBQ-MBSDFSHPSA-N 467.563 0.522 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836851723 YVKPRGRYTMSRJA-XMMPIXPASA-N 476.493 0.750 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1837403129 NYCQWOXUPRSUDV-CVDCTZTESA-N 472.579 0.086 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1837527641 ROKZXTSGXGMJTG-UZBYXMDDSA-N 453.536 0.789 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837669172 LTYYISOUGXOVMQ-MHECFPHRSA-N 456.543 0.862 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CN3CCOCC3)CC2)CC1 1837805134 PVSYIWOVELVSLH-UHFFFAOYSA-N 451.564 0.827 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1837869265 JKLFOCQRVSMRKA-UHFFFAOYSA-N 471.562 0.470 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1838529372 ZLDZONKUFLNQCA-VWLOTQADSA-N 464.522 0.960 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC(F)F)cc1F)CCO2 1838558331 BJDRZCLPDMMNIX-HXUWFJFHSA-N 456.373 0.585 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838686636 BVCOQQZNTAVBOJ-JPYJTQIMSA-N 475.546 0.705 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(C(=O)OCC)c1)CCO2 1838722918 NFPFELFXPPGMEE-XMMPIXPASA-N 489.525 0.838 30 20 JCED Cc1noc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n1 1839186328 NAHZMDYRLUBXIQ-QFIPXVFZSA-N 457.462 0.630 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839242072 UXDWNSZVOCTDHF-DEOSSOPVSA-N 467.526 0.976 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839350315 VVJDFNDRMHYDIC-HSZRJFAPSA-N 457.531 0.137 30 20 JCED CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1839401100 QSFRLNFGWDYJOL-FQEVSTJZSA-N 465.348 0.952 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420949 ONDHAHPVXXXOBN-OPAMFIHVSA-N 456.478 0.695 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)nn1 1839421370 MGXZCTFOPBQQFL-QFIPXVFZSA-N 455.446 0.880 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839422137 FAEDCYCNHKAZIY-FQEVSTJZSA-N 453.492 0.202 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(N)=O)C3)C2)cc(C(F)(F)F)c1 1839443891 ZWODQJJFVJKIGG-LJQANCHMSA-N 469.420 0.315 30 20 JCED CC(C)N(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488960 KIBCVWHCOHLRDV-QHCPKHFHSA-N 454.531 0.845 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1839844435 JCWZEFYGCWVHCF-ZHRRBRCNSA-N 462.572 0.560 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839898839 AKXFMVKVBFBXOU-GAJHUEQPSA-N 493.557 0.313 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]3CCO[C@@H]31)CCO2 1840071744 HHHKWGCAIXTQOB-KBVWPGPTSA-N 477.558 0.348 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1840164918 JPFPGICXZGHMKL-VTJXTGGHSA-N 475.608 0.425 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1840218453 GWFHBXCUIAFBHP-XZOQPEGZSA-N 480.562 0.364 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)cc1 1840378894 LWAUEKDKXKEENZ-NRFANRHFSA-N 456.528 0.468 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466900 CRIGQQTWKDIBCS-CYFREDJKSA-N 489.573 0.336 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)CCO2)C1 1840790079 RHBAAWLODZPAIK-AOMKIAJQSA-N 498.985 0.852 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840856165 HBHGIMCNNVGTGP-RDPSFJRHSA-N 472.542 0.698 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1840908515 BZAFTUVMJDSMBU-KOSHJBKYSA-N 488.541 0.774 30 20 JCED CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840910749 KRKIMCVJIWZINQ-OPAMFIHVSA-N 467.519 0.224 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1840912198 BSYQARYQBFTSHP-UOKFIYJESA-N 489.573 0.878 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1840957910 BLOJTKZRAHXYMR-QHCPKHFHSA-N 457.483 0.612 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc12 12427489 LSGYGAPJZZPJEG-LLVKDONJSA-N 467.511 0.573 30 20 JCED CCN(CC)C(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 21965481 RJRZVTOCZBAECC-UHFFFAOYSA-N 475.615 0.972 30 20 JCED CS(=O)(=O)N[C@H]1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 603877013 WMSBRBZJFVWLPL-HNNXBMFYSA-N 462.532 0.468 30 20 JCED COc1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1OCC(N)=O 604147852 FFTDZVXGEHVDJK-UHFFFAOYSA-N 451.483 0.714 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c1 604270141 IQGIYKDJPRJZBV-UHFFFAOYSA-N 484.578 0.149 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(=O)N(C)C 604270305 MUYDOMVVENVOBL-UHFFFAOYSA-N 490.969 0.450 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CCc1cccnc1 609039031 ZDZDQGOWSRTLKE-UHFFFAOYSA-N 480.546 0.822 30 20 JCED O=C(CCNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)N[C@@H]1CCS(=O)(=O)C1 643077814 HHAVLLATJQYRJG-QGZVFWFLSA-N 459.549 0.896 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1=O 726044010 YIXYURQBPOTISU-LLVKDONJSA-N 460.399 0.014 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(C(N)=O)cc1 726577268 LCXNNVVLELQQDQ-UHFFFAOYSA-N 469.548 0.029 30 20 JCED O=C(COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc([C@@H]2CCCO2)o1 727503062 LFGDALHQZQVNJQ-ZDUSSCGKSA-N 463.472 0.922 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 749048571 IFGSYGIJJQAIFF-UHFFFAOYSA-N 488.478 0.922 30 20 JCED Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 769726618 IUOPNOTYXJBTBS-UHFFFAOYSA-N 483.510 0.919 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccc(C(N)=O)cc2)CC1 920718530 XNOBXQOEUKOQGJ-UHFFFAOYSA-N 486.506 0.112 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359151142 NVPUMIMZECTEMQ-QGZVFWFLSA-N 492.993 0.957 30 20 JCED CCC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1500130673 XAYWFPKMCCPECC-GUDVDZBRSA-N 481.623 0.603 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1516977204 XONYHQATFLBIFY-UHFFFAOYSA-N 467.574 0.959 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccn(C)n2)c1 1617705996 JECNEHCDWLEGAG-KRWDZBQOSA-N 456.532 0.706 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1779357447 NDEIYWMMNIJHQS-NRFANRHFSA-N 451.474 0.969 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn(C)c(C)c3Br)C2)C1 1780364566 WFTAQSGBZSHYAN-AUUYWEPGSA-N 453.337 0.973 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780695451 HVBJTHDKZPASOH-MBSDFSHPSA-N 458.515 0.887 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781861077 NFNMJBPWQFFQRN-IERDGZPVSA-N 455.508 0.169 30 20 JCED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1782181030 NDRJUTWIAZPZIU-JTUHZDRVSA-N 475.615 0.854 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cnnn2)C1 1782611103 MNGNEYOOXUCFFP-OIMFZILRSA-N 489.577 0.665 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc3nnn(CC4CC4)c31)CCO2 1783047395 BHHSRHBBEZZJIR-BVZFJXPGSA-N 498.584 0.986 30 20 JCED CC(C)(C)OC(=O)N1CC(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1783207209 LIHIVLKHWIHVFX-UZUQRXQVSA-N 463.531 0.845 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C)C2 1783268124 FPBSWIFRSCMTPW-YZZKKUAISA-N 450.580 0.979 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1785578430 ZLSPNUJGJCIYJO-MIVJIENQSA-N 474.558 0.568 30 20 JCED COc1ccc([C@H](O)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)cc1 1786857285 FRFMDRFBVQGZJO-VMXMFDLUSA-N 458.559 0.990 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCSC)[C@H]2C1 1791310242 QODDBTAZCCBPID-FKSLSLAPSA-N 483.631 0.997 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1792451722 PODITDYZGKMAMN-RXNNHNSHSA-N 493.601 0.622 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3ccccn3)CC1)C2 1792489758 PGJJRHQOKVMASO-MCTZMUKVSA-N 467.570 0.746 30 20 JCED COc1ccc([C@@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cc1 1792717043 FXSIQLJUVHHZFS-SUFGDBKVSA-N 461.515 0.847 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1793593981 YZWILIRGSLJGJW-DGADGQDISA-N 452.508 0.154 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(C)C(=O)CC2)c(O)n1 1793784991 SWPBRISNVXMNGK-YVWYUNDQSA-N 455.515 0.717 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncnn2C)N(C(=O)OC(C)(C)C)C1 1794574306 VJDYBENEKJGMLD-YVSFHVDLSA-N 460.535 0.584 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)CC2=O)c1 1795409870 STEDPRNYSKASRI-OPOADAIRSA-N 452.511 0.941 30 20 JCED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797816705 QHDXEMDZVDCQDA-LZPJUBFHSA-N 471.551 0.175 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3n[nH]cc3[N+](=O)[O-])c2c1 1798011024 ZXGFIWQPQXDQQD-DRXBFXEBSA-N 450.415 0.583 30 20 JCED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCCNC4=O)C3)cc1 1799641846 FQTHFZBYKJKXEK-RMFSNUHRSA-N 462.510 0.600 30 20 JCED CS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799708584 ZJXOZULZYOADBB-XOIINTDNSA-N 470.345 0.569 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCS2(=O)=O)N(C(=O)OC(C)(C)C)C1 1800395921 OTGMNLLAAVKVQE-PJVZLEMVSA-N 497.614 0.719 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CNC2=O)C3)cc1C#N 1801846693 QPNPJCJMKWXUDY-UPHUGPLXSA-N 469.498 0.100 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C2 1802125478 VUJYCXNFTGFKLK-QLCXLMDBSA-N 464.563 0.407 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CSc2nc[nH]n2)[C@@H]1c1cccnc1 1802499086 QWJNWLZXGZJIFE-AQZVRURSSA-N 455.544 0.856 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1804346203 IFAXLDNTRZRRMS-IXVOPGFYSA-N 455.519 0.157 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)NC(=O)OCC)C2 1804375993 CJTHVVHMZYOFFT-ULQWZQFMSA-N 466.535 0.606 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807354275 SEPZCQNLBVTUAN-QFBILLFUSA-N 477.529 0.414 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808273976 PIRJITWXQOANGE-YDZRNGNQSA-N 458.563 0.290 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1810327797 QQROUFHFMYUMRP-AVRDEDQJSA-N 489.536 0.831 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1810328304 WUHVKQJTMMJXHE-LAUBAEHRSA-N 490.524 0.226 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3CCc4nc(NC(=O)[C@@H](N)CCC(N)=O)sc4C3)c2c1 1814809128 BQGYXTUCYXLEOS-YPMHNXCESA-N 466.527 0.710 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819892332 ZOYOPRBGEUQJQX-ORAYPTAESA-N 452.533 0.215 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CNC(=O)c3cc(C)on3)sc2C1 1819923262 DTDSYKYMNPDLHZ-FWWRYZNZSA-N 472.527 0.640 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200060 FLSOWULTVAMRND-IMJJTQAJSA-N 475.502 0.860 30 20 JCED N#Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)ccc1F 1825327319 ABTOGBQLMNJPAB-INIZCTEOSA-N 475.546 0.595 30 20 JCED C=CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828585141 QDJFYIDFNZSXLM-DVECYGJZSA-N 497.556 0.716 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334772 NKAITALYWFVDIU-MZNJEOGPSA-N 484.509 0.051 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1829351794 BUMVIKNYTROOOK-DEOSSOPVSA-N 483.525 0.566 30 20 JCED Cc1noc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)n1 1829630804 BTHSJAOPGPXVKN-HSZRJFAPSA-N 453.499 0.881 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](NC(=O)c4ccccc4)[C@@H](C)O)C3)C2)C1 1829661212 OZSBWHREDJDFIW-QLWBXOBMSA-N 471.554 0.588 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nsnc1NC)CCO2 1829756213 YMDGQOBVEYYESL-IBGZPJMESA-N 453.521 0.159 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460568 RCUGERJWIBXGFO-KOSHJBKYSA-N 456.543 0.814 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(C(=O)OCC)ncn4c3)C2)C1 1831392408 DJSQVAJVFOUEHS-BVZFJXPGSA-N 498.536 0.619 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1831402487 IMDVHQXRXNZHDE-IECBHUPTSA-N 457.527 0.300 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1831406020 QPWCVVODIJPBDY-JOCHJYFZSA-N 481.571 0.538 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1831433655 XGZRJCAXVPXVMP-NYHFZMIOSA-N 477.470 0.985 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831478620 DFCXONVTSWPDPS-MHECFPHRSA-N 494.589 0.274 30 20 JCED CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)N(CC)CC 1831664067 OTCOCZNOYGDBNB-WMZHIEFXSA-N 451.612 0.845 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1831999283 ZHJSAFBLKBOVPV-HJPURHCSSA-N 493.561 0.665 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCN(Cc3ccccc3)C1)CCO2 1832303863 PKPQKJKJLSDTHY-SQJMNOBHSA-N 469.538 0.443 30 20 JCED COc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832999956 CVSMFLNNBLJYAH-DEOSSOPVSA-N 473.574 0.761 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CC2)CC1 1833074596 SPXHSHZNUOBMQU-XBKFQHLESA-N 475.634 0.967 30 20 JCED CN(C)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1833364633 VSUHVABHONJXND-FPHRNUPISA-N 475.546 0.747 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1833466518 HDJIKITXRNWTCC-JXFKEZNVSA-N 466.579 0.439 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833614902 JCWBPVLUNOCCLE-OFNKIYASSA-N 478.615 0.943 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c(O)n1 1833700461 YKDLWKMTRRINKI-JOCHJYFZSA-N 456.503 0.268 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834391971 ZQNSQSKFKWQWCE-SBUREZEXSA-N 477.562 0.960 30 20 JCED COc1ccc2c(c1)CC[C@H](CC(=O)N1CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C1)C2 1836634422 GLNKJVFLQOPQKH-AVRWGWEMSA-N 470.522 0.735 30 20 JCED O=C(C#Cc1ccccc1)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837045702 IJJIFKYYHPKXND-UHFFFAOYSA-N 452.511 0.589 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc4ncnn4c2)CCO3)c(C#N)c1 1837170189 NREYIGOJHGISMW-RUZDIDTESA-N 490.520 0.922 30 20 JCED CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(C)C 1837220802 DZXJCLLJUQLQJU-JPRVOSEXSA-N 469.535 0.560 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837403324 KFLYHFUPGYYIGH-ZHRRBRCNSA-N 461.494 0.512 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1837405492 SALWTUFJZDBSJW-CJFMBICVSA-N 473.570 0.836 30 20 JCED Cc1nn2cc(CC(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)nc2s1 1837440653 RHKIRMNZJABHCH-YVABFXQFSA-N 489.602 0.570 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1837490830 CFIVXBLZSGBCQD-NRFANRHFSA-N 461.475 0.087 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837526392 UOGUXZCIXUGIHI-WCQUILQHSA-N 453.536 0.955 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1837528264 CLBCDCNCNBLYNV-ALUBYUQESA-N 471.514 0.933 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837592056 MISDJXFABCTSTR-YADARESESA-N 489.573 0.634 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837637480 PQJLCWFNOKONHQ-JXSPYEIYSA-N 487.557 0.190 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)c4cc(=O)n5[nH]nnc5n4)CC3)CC2)c1 1838023001 IBWOMQVYPWNMJX-UHFFFAOYSA-N 494.487 0.749 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncoc3C)CCO2)C1 1838209742 XOXWIUXWKPOAGL-HXOBKFHXSA-N 476.530 0.970 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838358642 SQOJSPNHRMHRIE-NGIIGVMLSA-N 467.567 0.521 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1838551135 AEAMBNVZPBYJBS-JOCHJYFZSA-N 481.557 0.969 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c1 1838580521 HNYYCYHOJVDGFU-HSZRJFAPSA-N 468.466 0.350 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838604054 HJQDXHQQJKSVED-HTAPYJJXSA-N 491.570 0.703 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1 1838735028 SLQIXXHFSQGYDJ-HSZRJFAPSA-N 486.550 0.603 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839081900 WJWRVHCAIAIYMQ-SPEDKVCISA-N 451.589 0.763 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCS(C)(=O)=O)C3)C2)c(C#N)c1 1839133346 MWGPLLSAGJJPRW-QFIPXVFZSA-N 479.555 0.000 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839212623 HXULGWWPFQAJOQ-XFAGBWLFSA-N 494.589 0.533 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)nn1C 1839362943 XXWBLPVRQBWOBH-HSZRJFAPSA-N 453.499 0.879 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CCO2)C1 1839449607 USLHEFNGVLJNNO-GAJHUEQPSA-N 474.514 0.769 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCN(CCC)CC3)cc1)CCO2 1839475769 AWHKKHHARXVGKC-VWLOTQADSA-N 454.571 0.922 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839486367 UVRCXASYBLQBIQ-NRFANRHFSA-N 482.526 0.712 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839539522 PPFPWSRQCHMSGP-XTVKVDEJSA-N 454.531 0.876 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1)c1ccccc1 1839663816 PSCVGKUFAMDSSN-NVQXNPDNSA-N 478.549 0.897 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C2)C1 1839809733 JPGBPHNZZNLOHO-HOYKHHGWSA-N 468.558 0.357 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1839866223 OWSUBBHGFKOFOZ-UZUQRXQVSA-N 482.578 0.568 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3cccc(Br)c3)C2)C1 1840043450 ZMLPXABQVLEHIV-QUCCMNQESA-N 481.299 0.027 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1840157900 DOIPUAOIROMVDX-IVZQSRNASA-N 461.540 0.447 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c(Cl)c1 1840359778 PZMLSWZXGPXKGB-OAQYLSRUSA-N 458.906 0.963 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820426 OTWFQHFYLMRFIY-GOTSBHOMSA-N 475.498 0.009 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1840840349 NJILQBNLGZTOOY-RUZDIDTESA-N 467.522 0.933 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1840854464 CARXWDGRVLMCML-RDGATRHJSA-N 486.569 0.871 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845014210 IIDGTJZBXJASPO-HNNXBMFYSA-N 474.583 0.618 30 20 JCED CCCS(=O)(=O)N1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 410296723 DYHUCVLIUVSZJB-UHFFFAOYSA-N 483.616 0.778 30 20 JCED CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 483166502 WWLOLLMGNCJTDA-UHFFFAOYSA-N 490.563 0.574 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 495267780 NCTCASSIROBKGB-UHFFFAOYSA-N 468.495 0.915 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)cc2C)c1=O 501790812 OVLUUIBGRROZIW-UHFFFAOYSA-N 469.563 0.842 30 20 JCED COc1cccc(-n2c(=C(C#N)C(=O)NC[C@@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)c1 502042151 KAWCLYFIDDJPSE-SFHVURJKSA-N 465.535 0.439 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)cc1 502049535 IPZXYPFGFVCELU-UHFFFAOYSA-N 465.535 0.393 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cccc(S(N)(=O)=O)c3)CC2)cc1 505086931 YRNRWNVORKJIIH-UHFFFAOYSA-N 463.541 0.422 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)cc2F)c1=O 523743206 BZQZCDBUJNMFAB-ZDUSSCGKSA-N 451.495 0.879 30 20 JCED Cc1nc(CN2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)cs1 590980808 AKQUIQGTWFPGQY-UHFFFAOYSA-N 488.639 0.974 30 20 JCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 603613944 DLKQDDHJHLDZPP-UHFFFAOYSA-N 457.512 0.968 30 20 JCED CN(C)S(=O)(=O)N1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 604450121 HQTSNGGRHPOTKF-UHFFFAOYSA-N 461.504 0.936 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2[C@@H](C)c2cccs2)CC1 608830010 WAMMAAGLDHUXDQ-INIZCTEOSA-N 482.635 0.981 30 20 JCED CS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 726105402 BBJOKJJTTAEKLD-YGCDDZCOSA-N 453.590 0.532 30 20 JCED CC(=O)N1CCN(C(=O)CCNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 730897413 JEHDHOGEUNANHV-LYBHJNIJSA-N 478.575 0.702 30 20 JCED C[C@H](OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(N)=O)C1 831543018 BJPSWLUOHKUZLV-JKSUJKDBSA-N 478.571 0.941 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2F)c(=O)n1CCOC 917356814 SJLVWULNKUJFIT-UHFFFAOYSA-N 484.347 0.723 30 20 JCED CN(C)CCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918258200 YFSJOWZYUFCZGP-LKUDQCMESA-N 478.619 0.580 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C(N)=O)c2)cc1 918262169 JQPANUPOFBYGGB-XIEYBQDHSA-N 457.512 0.853 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H]2CCCN(C(N)=O)C2)CC1 918913997 ZVWUEQBQZQKYPL-AWEZNQCLSA-N 456.459 0.789 30 20 JCED C[C@H]1COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1494605356 WBWTURSGGIKQSB-PKOBYXMFSA-N 481.623 0.462 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN2CCOCC2)CC1 1507868636 MVFIXBFRJQBYNH-GOSISDBHSA-N 489.042 0.912 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1509783244 SZRCESOXIGFEGQ-QGZVFWFLSA-N 458.548 0.358 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1541675422 LEGXSDOHYMOHDH-MRXNPFEDSA-N 451.597 0.806 30 20 JCED CCCN1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1695398805 VSFAZRBNOPQZFA-SQGPQFPESA-N 469.587 0.927 30 20 JCED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1=O 1698076494 ZFQFTBQRXCOTTH-SJLPKXTDSA-N 451.531 0.979 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1698320211 ZDUBHPABODXPAT-IBGZPJMESA-N 489.602 0.436 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1706625415 LWKSRUYTRGNGHH-INIZCTEOSA-N 462.532 0.628 30 20 JCED CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1OC 1746804465 NHYDBILECDSHRR-QGZVFWFLSA-N 456.503 0.940 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1749831119 WHKZXDODKMYOTG-HOTGVXAUSA-N 459.594 0.514 30 20 JCED N#Cc1cccc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1750382277 RABPRSWPRWPZPM-FQEVSTJZSA-N 466.514 0.753 30 20 JCED Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNS(=O)(=O)Cc1ccon1 1762610508 KPCBSVJHSZMSDQ-UHFFFAOYSA-N 456.532 0.892 30 20 JCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)CCC1 1777714871 KBOGTCHXRBMTMS-IIBYNOLFSA-N 461.544 0.659 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCS(=O)(=O)CC4)CCO3)C2)c1Cl 1780188464 YAEUUNXLTXIGEG-NRFANRHFSA-N 480.974 0.386 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1781165148 BUMWTQJVFVTAEA-KOSHJBKYSA-N 493.605 0.784 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1 1782972413 IPFYIQQOAITKOY-OFJJYEOVSA-N 490.524 0.881 30 20 JCED CC(=O)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783188351 GCIJDXCTPPHRPI-DEOSSOPVSA-N 491.589 0.883 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1)c1ccc(O)cc1 1784015178 WIHNMNNCCCDXES-PGRDOPGGSA-N 479.470 0.444 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1784373845 KTQORIAGKTXEFN-HYBUGGRVSA-N 480.525 0.237 30 20 JCED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)n(-c2cccc(=O)n2C)n1 1784381586 MEHFFYNGVOSPBQ-ZJOUEHCJSA-N 463.538 0.886 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1784502307 MKQAGYFNZMHHIA-DRMAHVMPSA-N 480.525 0.755 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1785572593 NAIGBIXXKVFLOZ-UQBPGWFLSA-N 499.568 0.558 30 20 JCED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C[C@@H]21 1786706391 QEQZMRXQUZIMDA-BXWFABGCSA-N 498.565 0.561 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1788574804 MUSBZWMCVJTJPA-STEAMIEHSA-N 459.547 0.183 30 20 JCED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21)c1ccccc1 1788709610 ZCPIMHVEHVXCMP-ZJZGAYNASA-N 471.598 0.450 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790583647 CTKJDJSUWBVJNJ-OKYOBFRVSA-N 487.557 0.140 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1 1790847155 XBOWTYBVVKRCBU-OKYOBFRVSA-N 466.579 0.962 30 20 JCED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc(C(F)(F)F)n1 1791078928 LIPQFTZSUVMTBT-UBHSHLNASA-N 455.389 0.790 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21)NC(=O)OC(C)(C)C 1792108861 BDNCJVPVNJRECR-RABCQHRBSA-N 480.606 0.548 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc3sccc3c1=O)C2 1792484200 ILQPZKWJVKNHMR-RUMDQQRQSA-N 470.551 0.511 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)C1 1792633286 JPOWMEYDDALYBC-NNXHMXCWSA-N 450.536 0.354 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2 1793593328 GUWNFHRBXUMZEQ-BASYENTBSA-N 461.519 0.855 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795424024 YAZZLYSACOHHDY-DFGXFYAUSA-N 480.566 0.222 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796479687 WXZFEHUIJARRDF-QVRRELRWSA-N 465.510 0.227 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n1 1796719524 ANBLUCRNHWBXLG-ICAPBPQOSA-N 477.474 0.731 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)[C@H]1SC(=N)NC1=O 1797783351 NIZDTYZINZSLJP-DMHIMHRUSA-N 462.572 0.077 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-n2ccnc2)ccn1 1798726816 PLSWKWGNYRGSLG-VQNZHGJDSA-N 450.499 0.329 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1cccc(Br)c1 1799100512 WBPIXSFVDUMIDB-JGTCGTHISA-N 451.273 0.160 30 20 JCED CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)COc3ccccc3C#N)C4)CC2)CC1 1799196689 QNPAAGCZTOHMRJ-JHDGKUDLSA-N 467.570 0.307 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C 1799248015 MSHRJAPJLQGAIP-RCJHGTSTSA-N 453.536 0.999 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1799364711 BEBZHLYKICYGKK-ZMMAXQRCSA-N 481.594 0.134 30 20 JCED COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C 1799395986 LIBPJWRUKTWPGY-HUUJSLGLSA-N 473.567 0.073 30 20 JCED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1800490760 SIFNMDXKKAFIRD-DCXXXQMHSA-N 468.558 0.981 30 20 JCED O=C(C#Cc1ccccc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801446363 WZZMTTUCFDXFJW-HGJUEJDCSA-N 480.590 0.856 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1802957871 HTAIPIYFVPHSST-JYFHCDHNSA-N 479.581 0.878 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1810330808 GHPYAJROCZGZBC-RXVVDRJESA-N 470.526 0.329 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1810393396 TVZAGJFZDRKCDF-RNRNXMBVSA-N 463.431 0.524 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1 1812872025 ANFNZCGRUSADNX-LAUBAEHRSA-N 455.492 0.893 30 20 JCED C[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1822384894 JBQSAAVXZCSCFT-PAPYEOQZSA-N 480.616 0.900 30 20 JCED C[C@@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824807978 HNCJPWWIZBZCPI-RSLMWUCJSA-N 483.641 0.554 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1828580471 RHUYPDOXUGQPFX-KNOQFWTLSA-N 498.536 0.585 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1828927386 SGRFUKOIDVQONT-RUZDIDTESA-N 493.520 0.667 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829232633 VJWRGAQMVQFQSZ-WWEVIYMKSA-N 488.589 0.525 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829373200 KDZGPZBYDOBDEQ-NTKDMRAZSA-N 452.511 0.598 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1829765994 DRBCNJHUCXRKRR-UKDBKGKESA-N 498.580 0.452 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc(-c4ccccc4)o3)C2)C1 1829770370 LNPLZFAFPWDOPH-HMLKYZKVSA-N 481.509 0.665 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460973 ZJDCLEUKEWCCHQ-UUOWRZLLSA-N 471.558 0.655 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(C)(C)C 1831088253 WGPWODLNKVFNHG-WZONZLPQSA-N 465.595 0.275 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831437813 GRRGWANVHPEVKN-QHCPKHFHSA-N 475.567 0.853 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CC[S@@](=O)CC)CC2)CC1 1833074954 HVYOEVFSHCWIEJ-NZJKADBNSA-N 452.621 0.575 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2)C(F)(F)F 1833565799 VFJRRKYVCQNSKH-IBGZPJMESA-N 491.488 0.815 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(N(C)C)o1)CCO2 1833901023 LOYIZLPZAGHELC-NRFANRHFSA-N 450.492 0.320 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CCC(N)=O)CC3)CC2)cc1 1834672904 WGGBSIXOYOXFKQ-NRFANRHFSA-N 454.575 0.265 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cnc2c1 1835341715 AXYPUWQJDZUZBL-HSZRJFAPSA-N 451.483 0.377 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835346712 QTHGZAYYARECKB-QHCPKHFHSA-N 475.567 0.783 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)[C@H](C)CC)CCO2 1835602431 QCZBRSJPFIQKBI-LFALDJFMSA-N 480.606 0.733 30 20 JCED COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835675376 PFEOHDSNEJLGNS-QHCPKHFHSA-N 459.547 0.371 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1835677957 RJVGFEBSUQJXBW-QHCPKHFHSA-N 454.531 0.686 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 1835732296 ZRYMLRSKYYKGAA-MTDXEUNCSA-N 483.617 0.855 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)C(=O)O 1835761829 AVXVGBVPZMUYOF-HRAATJIYSA-N 464.906 0.344 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1835767764 QDLZBUDRJMSKRX-WDRHXJDGSA-N 465.595 0.419 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835923773 DBZDRAPEYVBVDX-AOMKIAJQSA-N 456.503 0.256 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836111251 MNMHVVHQSBIHLN-IERDGZPVSA-N 450.561 0.598 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c(C(F)(F)F)n1 1836321814 KVNAXJCYADWOOJ-AGKSTNPPSA-N 468.432 0.813 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4ncccn4n2)CCO3)cc1 1836866943 RGSLPDVOIKGXPB-XMMPIXPASA-N 460.494 0.914 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5c(c4)NC(=O)CO5)CCO3)C2)c1 1836992044 FWMKOKXEBCCSNV-QHCPKHFHSA-N 465.466 0.601 30 20 JCED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4CCS(=O)(=O)CC4)CC3)CC2)cc1 1837079177 HWIMWZIRSOPQQA-UHFFFAOYSA-N 488.610 0.901 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1837390803 DCFCEXVGMDLEGG-AUSIDOKSSA-N 480.583 0.733 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1837403379 LRYXIAPUYYMEAM-VEUIDOLASA-N 475.542 0.786 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1837440805 YZPDLVUDROMMQP-VVGLJFDHSA-N 482.431 0.270 30 20 JCED COc1nc(C)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443776 JEGYCSHIHIPVCM-RZZUAFPKSA-N 459.547 0.940 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)ccc1O 1837445157 HGDKIYWAMPDXOQ-NHMXVPMISA-N 460.531 0.943 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1837445222 KVQGCSLKDLIVEZ-MQHZAWOVSA-N 461.607 0.933 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1837445325 POZJFTXCBVNUBE-CYUILNSLSA-N 481.557 0.809 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1C 1837486971 VGUFZFQNPUEGTP-XMMPIXPASA-N 458.559 0.426 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837502712 MUARXXRXUANGSD-NFBKMPQASA-N 491.472 0.262 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838321706 YTIWDVZIKODGEY-OPAMFIHVSA-N 479.534 0.999 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)c1 1838583845 OSAVJCAJTPSGTD-OAQYLSRUSA-N 463.512 0.455 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c([N+](=O)[O-])cc1O 1838601762 SYJCXUXICHUUKN-QFIPXVFZSA-N 485.453 0.893 30 20 JCED C#CC(=O)N1CCC(OC2CCN(C(=O)CCOCCOCCOCCOC)CC2)CC1 1838651698 KEJOERNNDWIUGD-UHFFFAOYSA-N 454.564 0.705 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Br)ccc1O)CCO2 1838890928 UWIODPQWDBDLJL-IBGZPJMESA-N 467.272 0.313 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1838907731 LFIUAYGBHSVZCZ-CYFREDJKSA-N 455.559 0.264 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838953447 XLPKAQIWEBBXTM-XMMPIXPASA-N 475.542 0.698 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1839130533 FYJBTTSKHHLZJF-NTKDMRAZSA-N 494.589 0.276 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191812 OFPLVUXAYVVDTI-DKLXNKCPSA-N 495.573 0.165 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1839222800 AVUOYBZBYNFLHL-IIBYNOLFSA-N 482.559 0.356 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839373913 ATTJNGILHMXGNM-XMMPIXPASA-N 483.477 0.824 30 20 JCED CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1839401135 BPIGNEOGMPYPNH-NRFANRHFSA-N 493.358 0.917 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)c1 1839451905 VWATZJWCXAUJAA-DEOSSOPVSA-N 456.543 0.659 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc[n+]([O-])cc5)C4)C3)c2c1 1839488589 ZSRLFECHCLYRIA-QHCPKHFHSA-N 462.466 0.452 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839723883 WSHDSXXFHBIDSE-JPYJTQIMSA-N 475.546 0.325 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839882967 HLHAYUQEGXVMIT-JPYJTQIMSA-N 482.578 0.438 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cnc3ccccc31)CCO2 1840100485 NCNCYGTVPBGQFZ-WEHRJKGCSA-N 467.526 0.351 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1840176599 NKHQRJSWWSEHER-UZUQRXQVSA-N 497.593 0.361 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818055 HXTRWHREAZRQAN-RDPSFJRHSA-N 456.543 0.878 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1840912483 JTSDAMODMLRKFQ-DURYTUKUSA-N 492.529 0.920 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN(C)C)C2 1844215577 VNVUIXFCRRVILI-MRXNPFEDSA-N 467.567 0.557 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1845200413 FBAFYKNHPVFFNG-MJGOQNOKSA-N 466.579 0.700 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)C1 1846277946 JCITUJLFHKXHPV-UHFFFAOYSA-N 453.904 0.300 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c1 10792337 OLEFZNFCIVLHFB-UHFFFAOYSA-N 478.527 0.289 30 20 JCED CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 110361511 DBGJBNQIPLJMOF-UHFFFAOYSA-N 464.544 0.439 30 20 JCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 500040909 PPLPQFUQVRMWBA-SJLPKXTDSA-N 467.551 0.791 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3)c(=O)n2CCCC(=O)OC)CC1 501769223 GXXICZYRSVWLJJ-UHFFFAOYSA-N 486.569 0.669 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H](C)c1ccccc1 515658735 OQERZZGCMOREIP-HOTGVXAUSA-N 451.552 0.907 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCCN2CCN(c3ncccn3)CC2)cc1 517840919 BMHZKEVTSCJKCB-UHFFFAOYSA-N 456.572 0.982 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 523236556 UNXXQTNFDFXIPS-IBGZPJMESA-N 479.603 0.491 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 553157952 GLJJYHCLAAJPLU-IBGZPJMESA-N 450.561 0.832 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2[C@H](C)c2ccccc2)CC1 604004327 KKYHPXCOOWSPSY-GOSISDBHSA-N 476.606 0.920 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(=O)N(C)C 604269878 HCEALOJCIZWDCR-UHFFFAOYSA-N 477.384 0.790 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OC(F)(F)F)c2)c1=O 609074930 UFEHEHGBOQKWCJ-UHFFFAOYSA-N 482.484 0.297 30 20 JCED CS(=O)(=O)c1ccc(N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)c([N+](=O)[O-])c1 609338163 STYKCOMXQHZRRQ-UHFFFAOYSA-N 450.521 0.818 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cnn(CC(=O)NC)c3)nnc12 613787054 JTFOSQYHDZIDIV-UHFFFAOYSA-N 452.500 0.904 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cs1 726577313 NIYFTCBAOAKFPJ-UHFFFAOYSA-N 457.562 0.651 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCS(C)(=O)=O 729673543 URCNLAICFQUTGI-UHFFFAOYSA-N 485.534 0.585 30 20 JCED C#CCOc1ccc(NC(=O)C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1 731130568 RRPLNRGFSZWPDW-UHFFFAOYSA-N 472.303 0.678 30 20 JCED Cn1c(=O)c2c(ncn2CCOC(=O)CCC(=O)N(CCC#N)c2ccccc2)n(C)c1=O 731257669 ZUXSIDSZDMEVPB-UHFFFAOYSA-N 452.471 0.704 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cn(Cc3ccccc3)nn2)CC1 914902123 GLBHQAKRPNTQCB-UHFFFAOYSA-N 494.533 0.888 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)cc1 916193789 LHHIXNOETLKRDP-UHFFFAOYSA-N 450.520 0.958 30 20 JCED Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 916783513 GTSFKYWUGSCQBS-HNNXBMFYSA-N 467.573 0.995 30 20 JCED C[C@H](NC(=O)c1ccoc1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 917317622 LAJZCJBGYDUOBT-HNNXBMFYSA-N 474.495 0.346 30 20 JCED N#CCC1(O)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1296601689 UUNQBOJXNKKWBQ-UHFFFAOYSA-N 454.936 0.440 30 20 JCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(N3CCCS3(=O)=O)CC2)CC1 1307836724 KDIDJPVLVDHWQI-GOSISDBHSA-N 451.618 0.957 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1503832205 VUXAPRDIQOBJMS-UHFFFAOYSA-N 467.559 0.791 30 20 JCED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1=O 1519198301 XIPKIGVDBOOLKA-IEBWSBKVSA-N 472.571 0.935 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCCC2)CCOCC1 1541116714 UFKUQTDDDDVMBB-RBUKOAKNSA-N 495.650 0.852 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ncccc1N(C)C 1541943529 YDHYKDOSDLIZDY-RDJZCZTQSA-N 473.607 0.574 30 20 JCED COC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1)OC 1555257654 XFZDNRUKFZOAJV-RBUKOAKNSA-N 478.575 0.780 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCOCC2)CCCCC1 1611711574 QIFBMUVGWDEXNO-ZWKOTPCHSA-N 481.623 0.652 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCOCC2)CC1 1618309361 LXVKMAAAZQBIOE-UHFFFAOYSA-N 459.576 0.667 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1692573701 RTZWLZCJUOSHPL-KRWDZBQOSA-N 459.532 0.785 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1697712679 SZDIZPXFHUHVCO-UHFFFAOYSA-N 467.530 0.550 30 20 JCED CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1706690027 XNWRPNBBNCHEIK-DENIHFKCSA-N 475.571 0.997 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1706865456 AMHXASJPPVSANC-HUUCEWRRSA-N 458.610 0.843 30 20 JCED CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1711219963 XEPCQBAICMYGAA-NRFANRHFSA-N 460.560 0.135 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1745896034 VYLKWXQFIHKGCY-UHFFFAOYSA-N 496.572 0.781 30 20 JCED COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1=O 1749865882 OMKHJJCHLUVZSF-GOSISDBHSA-N 488.570 0.458 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778054256 XLPFKYINIZUVOO-NPMXOYFQSA-N 466.498 0.605 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](C)S)CCO4)CC2)CC1 1778319945 ILAYVJGLGRCUBY-GAJHUEQPSA-N 466.648 0.858 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779019778 FARGNDZXFOSCIR-JTLGAQIJSA-N 493.605 0.660 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)C1 1779098261 FCGMFMSRLJCBNI-GDARYYJISA-N 451.520 0.935 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780037546 DKLPJUJTJRUZIZ-JTUHZDRVSA-N 455.515 0.808 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1781166434 PAYZJLNFLSYMPY-BSRJHKFKSA-N 489.577 0.761 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781247389 IQHKGRYJYWGYPR-BSRJHKFKSA-N 464.563 0.648 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783634647 VIMKELRFYJCHFL-VTMXZCIOSA-N 475.542 0.844 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1783647377 VKPGWOVFPLANEO-QOAPGFADSA-N 499.564 0.627 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C2)C1 1783722657 KJYKTPDLQVQRHO-VGOFRKELSA-N 498.001 0.877 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783912027 FEDAXCHJBMTHJI-HOYKHHGWSA-N 493.605 0.962 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1784373846 KTQORIAGKTXEFN-YKSBVNFPSA-N 480.525 0.237 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C[C@@H]21 1784493866 JKDNMNARUVBQNL-WJMWBRGCSA-N 461.563 0.419 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1784786657 RGZDESOJFWVODG-OVWQWFNUSA-N 462.551 0.878 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CC1 1785373069 RLFOLPOPPYTJGA-HSZRJFAPSA-N 463.579 0.967 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1785577651 PJTPCESUAUIJAW-JLTOFOAXSA-N 491.463 0.838 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(=O)n4O)[C@H]3C2)c(C#N)c1 1785630812 ALFAFWZIZODQME-LRQRDZAKSA-N 466.494 0.802 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)c3ccc(C)cc3)[C@H]2C1 1786605448 PNDVJBDYSZVLKX-ZFMNYDKASA-N 462.568 0.787 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786705511 JENVOWIHWQNGKY-UFYCRDLUSA-N 455.552 0.356 30 20 JCED CCc1nn(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1Br 1787171253 AGCDULOKRKOTNX-OBJOEFQTSA-N 467.320 0.426 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1788604086 OOLYGPOFORJQMC-JPNHEKRQSA-N 459.591 0.839 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1788660367 LGBMALWDLIPMCH-VUFUVXITSA-N 489.554 0.878 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)C[C@@H]32)c1Cl 1789267441 GFSIKWFOBZJWGO-TUUVXOQKSA-N 459.890 0.403 30 20 JCED Cn1c(=O)c2c(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCC#N)C[C@@H]43)csc2n(C)c1=O 1789703053 PNVFISVHCIBLDK-BPUTZDHNSA-N 473.555 0.125 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1789839286 MUSGHYREMVKELQ-HAGHYFMRSA-N 481.590 0.672 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C[C@@H]21 1789891119 DWAWRMMJBKYMDM-WFXMLNOXSA-N 484.553 0.829 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1 1789972139 UOYQOKYGAPAGMT-MUGJNUQGSA-N 488.589 0.955 30 20 JCED CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc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c1cccn2c(O)nnc12 1796290708 FHEVFAZFXZQMHT-CYGHRXIMSA-N 498.540 0.555 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C/N=C/c1ccco1)C2 1797839396 ASELWPZHFMXYAK-VMHJHTBXSA-N 497.552 0.924 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)N2)C3)CC1 1799236630 UJYAIMCHNDEKJU-SFNKJDCFSA-N 489.573 0.395 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)ccc1F 1799327413 SCHPKNWZPXJPKQ-YVWYUNDQSA-N 476.555 0.690 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)CCOC1 1799335121 MOLKOVZFHFUHLQ-DSZPWCOXSA-N 493.605 0.732 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1799391454 KHGQMYCDGNRBSD-ZXFNITATSA-N 452.533 0.489 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc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c1cccnc1 1802480288 FNKCIQPPUXVXKF-JTEGUGKQSA-N 489.598 0.371 30 20 JCED Cc1nn2cc(CC(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)nc2s1 1803968125 RMDRHVGAOFISHE-YWZLYKJASA-N 452.496 0.831 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807946505 SBROKPDEVZCEEM-LAUBAEHRSA-N 490.524 0.226 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)c4cc(=O)n5[nH]nnc5n4)C3)CC2)c1 1810488361 PXBMAWOYAYAAPF-UHFFFAOYSA-N 476.497 0.851 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812387607 QDZUSMVEUGNOLI-UGKGYDQZSA-N 463.494 0.745 30 20 JCED C#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1814109104 OHEJFGBPECRSFM-PSHVLCQKSA-N 483.594 0.681 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1819769518 ATSYTXNRIYOCLW-KOUDTOEKSA-N 458.544 0.842 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N(C)C(C)=O)CCN2C(=O)OCc1ccccc1 1829055960 SZALUZUYBGVJHN-KOSHJBKYSA-N 454.527 0.939 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829356557 XTEAZQOGLUWZLD-ZEQRLZLVSA-N 486.525 0.968 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1)n1cnnn1 1829396458 JLEYJQFMOJCVQE-VGSWGCGISA-N 466.502 0.600 30 20 JCED Cn1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)cn1 1829636399 YLNASANERFFCCN-XMMPIXPASA-N 451.527 0.923 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1831345956 SQOGYOWLFTWNDG-VGSWGCGISA-N 463.556 0.818 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1831401988 KYRIQSIQQGBHEO-HYFFOGBASA-N 453.536 0.394 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)OCc3ccccc3)C2)C1 1831402148 PHLQEDLFNZTDLV-OHUGHZGNSA-N 487.553 0.796 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1831402492 ISOUKJSKDNMSBK-WSUBETFTSA-N 489.544 0.368 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3C)C2)C1 1831403209 ZCNSXLBGRVQVPX-UUOWRZLLSA-N 458.511 0.890 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1831998346 MXTXTOZVYJEKBU-OPAMFIHVSA-N 478.550 0.355 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1832462009 DBKMIAGIRDXTAA-JPYJTQIMSA-N 499.630 0.998 30 20 JCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1834518082 GRAVFJPUAJCYHC-UHFFFAOYSA-N 451.527 0.162 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715519 MVJQWBIPXLEJQU-QGZVFWFLSA-N 484.667 0.168 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835351670 ZZPBPUIANVJITR-YKSBVNFPSA-N 494.610 0.662 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1)c1ccc(O)cc1 1835765674 CQKRYAHMGVFCKQ-QVNIBDNGSA-N 487.553 0.408 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836614987 DZFDYVAGCDWWQI-HNNXBMFYSA-N 451.520 0.986 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836811165 GYDKZNWFTMQFFY-WGBQGACBSA-N 455.519 0.500 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1837403470 UFDRIDYTFVKFHT-LXFCCGDJSA-N 483.565 0.926 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1837531518 OSUGJGDIBVXAQI-WPGPLNCSSA-N 478.590 0.990 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837531749 VYZMVJUZSYFZQT-UNTPSSOGSA-N 491.545 0.524 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837674336 FIDPYCBWKNIBEY-MOOYHSQLSA-N 468.551 0.277 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837755710 AJBAYAIUPAFBHG-UWJYYQICSA-N 452.577 0.949 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3n1CCN(C(=O)OC(C)(C)C)C3)CCO2 1838414809 NELRQLHLRMHIOF-HSZRJFAPSA-N 473.530 0.337 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC[C@@H]5CCC(=O)N5C4)C3)C2)c1 1838739447 SYUAJKYRLJNWPJ-IXFSTUDKSA-N 455.515 0.357 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)c1 1838805667 QTWPGEHIVLYMDA-JOCHJYFZSA-N 456.455 0.431 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839073892 YEDCLTHWCJVAAC-UWNFHLEISA-N 498.577 0.885 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131700 UFKPHGDITKXIQT-QFIPXVFZSA-N 479.555 0.000 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1839388576 WFJXZGSBUMVXFR-SCLBCKFNSA-N 467.441 0.404 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(=O)OCC)cc3)CCO2)C1 1839444581 VJUMVIXFMWMYNH-KOSHJBKYSA-N 458.511 0.972 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc5c(c4)NC(=O)CS5)CCO3)C2)CCC1 1839579153 VYFFCOPHADCHSW-JOCHJYFZSA-N 471.539 0.890 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C1)C2 1839739027 NXCXSWIOOMVCTH-OSPHWJPCSA-N 485.541 0.382 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840063434 BSYNEAWGXUWBDW-NTKDMRAZSA-N 488.541 0.774 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)cc1C#N 1840264590 HATIIJITUKONQE-VWLOTQADSA-N 496.520 0.340 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2)c1ccccc1 1840478030 WQUROQQPRXSGHV-IZIIKQMZSA-N 466.542 0.888 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1)NC(=O)OC(C)(C)C 1840796866 RNCVXXWCDBIDGH-NTKDMRAZSA-N 480.606 0.864 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1840819115 PIRGSSUKIUDQCV-NRFANRHFSA-N 457.512 0.746 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1840820926 QQDCPEMOANMFNF-XMMPIXPASA-N 466.494 0.737 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C2 1841053073 TZDUKRXTZYGJIB-ZPUOCTKUSA-N 462.547 0.684 30 20 JCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1846904850 QDRQNIDWBROTRE-HNNXBMFYSA-N 453.586 0.843 30 20 JCED C#CCCC(=O)N1CCCC12CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1847000473 ZSWHWTPXULUPJQ-UHFFFAOYSA-N 453.524 0.895 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C 1847806240 SWZNTAWPOCADLM-XSLAGTTESA-N 479.578 0.568 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)C1=O 499232971 ZNQUPGRSGMCUQJ-UHFFFAOYSA-N 472.483 0.810 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1F 502043310 AYAXEOXLHGFGBO-UHFFFAOYSA-N 473.505 0.957 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc2c(c1)OCCO2 514879162 IJQVCLYIUPUKDU-UHFFFAOYSA-N 467.503 0.919 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 514919538 HKEWDSJWCNVDBR-UHFFFAOYSA-N 472.542 0.195 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(=O)N(C)C 604270346 WOZOQGCHWADJIH-UHFFFAOYSA-N 477.384 0.788 30 20 JCED CCS(=O)(=O)N(C)CCCN1C(=O)[C@H](CC(=O)NC)S/C1=N\CCc1ccccn1 726115779 SBBHJAIEZMEKOX-VFOOBRQFSA-N 455.606 0.732 30 20 JCED COc1ccc(-n2c(=C(C#N)c3nnc4n3CCCCC4)sc(=Cc3cnn(C)c3)c2=O)cn1 726960591 AKUMHFJZIAQCSH-UHFFFAOYSA-N 474.550 0.905 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([C@H]4C[C@@H]4C)o3)c(=O)n2CCOC)CC1 748043557 YCDDKMWSAVEARB-WMZOPIPTSA-N 470.595 0.940 30 20 JCED COCCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cc2S1(=O)=O 917417697 UINHOLRRJHEMRX-UHFFFAOYSA-N 463.493 0.609 30 20 JCED CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1297988638 NUMUSHYLDQXZKZ-LJQANCHMSA-N 450.547 0.901 30 20 JCED CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1547352629 XUGABTDSSHJWJZ-INIZCTEOSA-N 452.562 0.379 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)c1C#N 1625300385 SEQAKHAOGPVQFY-KRWDZBQOSA-N 457.922 0.576 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCC(F)(F)F 1692543941 UGHSOTHLHHMKIC-UHFFFAOYSA-N 479.467 0.688 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1711020748 YWZQWACEFVRHGP-GOSISDBHSA-N 459.576 0.872 30 20 JCED CN(C)C(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729301116 KVPDVEALBJNFEO-UHFFFAOYSA-N 465.562 0.976 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1731011076 IYYKFDYJTIIDGC-UHFFFAOYSA-N 464.573 0.476 30 20 JCED COc1ccc(C)cc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1748600514 VZKFQZRGHGOGHS-UYAOXDASSA-N 490.586 0.900 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(=O)(=O)c2ccccc2)CCOC1 1767482399 IWEZLJICKYJAAD-DYESRHJHSA-N 476.559 0.637 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)NCC(F)F)c1 1770309606 VGJYBJCRFPFEON-INIZCTEOSA-N 493.540 0.906 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1778738189 JBCJETUZMYYVNA-NDBKNAECSA-N 493.557 0.206 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779103510 WETJEDOKMJAKSV-JIFIGOMTSA-N 452.508 0.874 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)C/N=C/c5ccco5)C4)C3)cc2C1 1779138825 CBSYVCGAZAGNDS-UUVZMSSXSA-N 454.531 0.874 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779140974 LURZKPFXQCWZEK-IZAUUZMXSA-N 491.545 0.297 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](O)N3CCOCC3)C2)c1 1779415185 FVLBHHYFSDWLQL-UEVCKROQSA-N 460.506 0.475 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)CC1 1781170060 MTSRTFHTCKNZAZ-QHCPKHFHSA-N 488.545 0.233 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cc2cn4c(nc2=O)SCC4)CCO3)ccc1F 1781299763 YNXNCSHBWNYROE-DEOSSOPVSA-N 497.552 0.975 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781352050 WYODGAIEZBQQDC-GAJHUEQPSA-N 481.594 0.374 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782784117 OEOYURSUBURRDZ-HSZRJFAPSA-N 450.451 0.638 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)C1 1783766517 YSRTWIXVYUUOLY-GSHUGGBRSA-N 487.619 0.966 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783989961 JNIKIEKQDLHRMZ-NXOAAHMSSA-N 457.593 0.771 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1784503043 MTUNISBYWAQDRH-RABCQHRBSA-N 481.590 0.928 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC(N)=O)[C@H]2C1 1787405774 LKDJYVCJOWSNQS-ATIWLJMLSA-N 481.594 0.882 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC(N)=O)[C@H]2C1 1787412417 CFZAITPFFYXDHF-JCECYMMASA-N 479.578 0.330 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1788658055 DLCIKLLRPHMSHD-DALGOHPFSA-N 450.452 0.440 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1789809433 IVOJBKFQKCFLDB-JNNCMOEMSA-N 457.593 0.512 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC(N)=O)C[C@@H]21 1792257161 AEGJEKRZVPPTAA-AVEIZBFRSA-N 479.578 0.330 30 20 JCED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1795360723 PRCAFCAOMFTNOV-XOIINTDNSA-N 470.345 0.569 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)[C@H](O)C1 1795408463 BPISRHMEUJHOBW-JPDULQBJSA-N 476.574 0.888 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795412852 UKDMLMXOPXEEOX-MVJTYMMSSA-N 472.546 0.739 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1798695246 XUSHFMMOEVRPHZ-GOGWGUGKSA-N 499.568 0.971 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(C)(=O)=O)C3)CC1 1799236644 USIRNQOHBOYCED-ALXJQNPVSA-N 498.602 0.161 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1799683664 JUZNTLITUBRKKW-NNNWTRQLSA-N 476.505 0.673 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1800202647 YCVVRMOINRYIFK-LCPNOXIYSA-N 456.547 0.261 30 20 JCED COCCOCCOCCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2 1800204749 LBOGEFLVNWXKBY-WKCHPHFGSA-N 482.622 0.993 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCCCNC(C)=O)NC(=O)c1ccccc1)C2 1800455527 FLQJDVMYKRHOIR-ADYITMSISA-N 468.554 0.314 30 20 JCED COC(=O)[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2)NC(=O)OC(C)(C)C 1800911840 BAWUXQVHORZOTP-BASYENTBSA-N 452.508 0.336 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1802159843 PMYJWNBHXKDUIH-DFGXFYAUSA-N 480.566 0.222 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1804431973 ZUFHOGRFMBWDHK-YVSFHVDLSA-N 480.562 0.903 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806078025 HPYVLRDXQLGXGW-WRWLIDTKSA-N 452.515 0.932 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806700897 PZBBATPHQOKXSX-UHFFFAOYSA-N 469.604 0.457 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807146990 DTNJEAYFDWSLKD-SLFFLAALSA-N 458.563 0.520 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)Cn4cnnn4)[C@H]3c3cccnc3)c2c1 1807614335 WOGWCYNYSWMBJX-HRAATJIYSA-N 456.470 0.836 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)CS(C)(=O)=O)n[nH]1 1815225120 NJTGBVWHXHCLKJ-SVUXDUJVSA-N 451.549 0.941 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3c(O)nnc3O)cc2)n[nH]1 1820225359 VZJFWXSHSFDZAH-OAHLLOKOSA-N 465.426 0.796 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)N2CCN(C)CC2)n[nH]1 1820783039 NWAZOOHTXJUKPR-CZXSNVBGSA-N 457.579 0.896 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)cn1 1822200597 MUHSCGVQQOMHLT-INIZCTEOSA-N 459.484 0.743 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](O)N2CCOCC2)CC3)ccc1F 1822964953 OWMXNDCJVBFZAD-VFNWGFHPSA-N 473.530 0.959 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828972151 IZIBDWQUYQGTEZ-OKZBOYLBSA-N 451.568 0.728 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)cc1 1829627225 BEVXMMNAOPUDGY-HSZRJFAPSA-N 456.499 0.399 30 20 JCED Cn1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)cn1 1829636398 YLNASANERFFCCN-DEOSSOPVSA-N 451.527 0.923 30 20 JCED CN1CCN(c2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)cc2)CC1 1829695194 IWRPJYZCSULDLO-DEOSSOPVSA-N 455.559 0.812 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1830778078 LQVVXTUYOVQYME-YADARESESA-N 489.594 0.532 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831222809 HPLGRQUWHRJUKL-DEOSSOPVSA-N 456.495 0.722 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831328883 IBKRATHOKCZPMI-YCRPNKLZSA-N 498.989 0.609 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1831386252 DMGDVLKMTGIFST-QVKFZJNVSA-N 461.544 0.136 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1831496378 VPWAORUDDZVCFU-DENIHFKCSA-N 465.620 0.743 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1832462740 VFMKKWQUZKEGSG-DHIUTWEWSA-N 499.630 0.734 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3OCC3CC3)CCO2)C1 1833623988 FUZFOCGAGPDUHW-MHECFPHRSA-N 457.527 0.979 30 20 JCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(N5CCCNC(=O)C5)n4)CC3)CC2)CC1 1834033242 PVMDZHSNZJEIRP-UHFFFAOYSA-N 493.612 0.897 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1834706741 GJCAQDWDIOGYOV-GOSISDBHSA-N 450.584 0.714 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834765977 PDTGDYPITXQLFX-HSZRJFAPSA-N 498.577 0.304 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c(Cl)c1 1835411288 AZFLCBXDOVYRFR-JOCHJYFZSA-N 460.918 0.904 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835640829 WAJUDYWDOUGQSJ-JLHGSKIFSA-N 488.651 0.639 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1835676813 BJNVNFXWJNXFEN-QFIPXVFZSA-N 455.519 0.081 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1835677954 RIRKTLZGSACVCW-XMMPIXPASA-N 469.542 0.282 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1835713579 ONUGCKHMXDLNKX-QGZVFWFLSA-N 458.563 0.334 30 20 JCED Nc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cs1 1835795998 RJSDWXSLANSLDQ-BLINCGSOSA-N 453.521 0.324 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cccc(OC4CCOCC4)n3)CC2)CC1 1836058066 KELUBZXEHBNGGQ-UHFFFAOYSA-N 484.553 0.913 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1836590606 ZXVILVODSAJSAV-PKTZIBPZSA-N 479.530 0.178 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836974303 VGCGAFCLJXDKMM-KSEXMQBYSA-N 457.531 0.148 30 20 JCED CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)C(=O)O 1837885467 YICBLLACFRFGAD-HXUWFJFHSA-N 463.575 0.746 30 20 JCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)CC3)CC2)CCC1 1837919456 UIJDQJTYHGOFQJ-UHFFFAOYSA-N 453.503 0.724 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)cc1 1838331923 UWRXLJNZSJPAFQ-DEOSSOPVSA-N 450.495 0.894 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(-c3ccccc3)n1)CCO2 1838742606 JUJVIWDRVBMLKZ-RRFNBQSRSA-N 479.537 0.801 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774247 UOHNURHMDQYBFI-IBGZPJMESA-N 475.542 0.990 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1838825242 YWIXGRPJLHSDGF-SFHVURJKSA-N 479.578 0.570 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCN(C)C2)CCO3)c1 1839066123 WOYJBNFTVMEGIV-CYFREDJKSA-N 456.543 0.979 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1839173417 OULVZJADRWQBTQ-QHCPKHFHSA-N 462.499 0.737 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1839223578 ABSDJXXOXPTPHC-FDDCHVKYSA-N 495.598 0.890 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1839225834 VWHOIRMRTFQLET-BXKMTCNYSA-N 485.541 0.804 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839387720 SCMDQEFQVDNFJT-CYFREDJKSA-N 488.541 0.666 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3n1CCN(C(=O)OC(C)(C)C)[C@@H]3C)CCO2 1839594719 ZATUDDXJRYRFAB-OSPHWJPCSA-N 487.557 0.898 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1839839716 KLKOTMRLKPYMQV-HTAPYJJXSA-N 465.572 0.908 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1)NC(=O)OC(C)(C)C 1839886790 HKIGYGXVGLCUDR-NTKDMRAZSA-N 496.605 0.829 30 20 JCED CC(C)[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N1Cc2ccccc2C1=O 1840039738 GHKMVZNRBWFBOE-DHLKQENFSA-N 483.521 0.211 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(Br)n3)C2)C1 1840042854 QRZXXYKZNFMZEZ-MRXNPFEDSA-N 458.290 0.064 30 20 JCED CC(C)(C)OC(=O)C(C)(C)CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043257 OCFGYFXONKKZLY-QFIPXVFZSA-N 452.504 0.289 30 20 JCED C[C@@H](CN)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110931 MFFMQONYZQNQJI-DMPWYTOCSA-N 488.651 0.639 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840158029 GEKGBJGCCZNJAO-IERDGZPVSA-N 487.619 0.523 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1840163837 OZQNOUKOJCMLQN-BLVKFPJESA-N 452.558 0.514 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840164173 BAYYVLQEJWRIMO-LRAJWGHMSA-N 489.591 0.218 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1840170904 CBKJPGQPBCCFKT-CYFREDJKSA-N 495.573 0.703 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]n2)C1 1843189428 IYRUCXGXAPONSF-CQSZACIVSA-N 477.522 0.427 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1846282934 YATXBAFYOJOLDU-OALUTQOASA-N 470.574 0.483 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1847805995 ZFJNTRJCNXIMHY-AMGKQAFBSA-N 469.538 0.999 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 14795223 WEHLZOBWMYTBOC-UHFFFAOYSA-N 475.958 0.955 30 20 JCED Cn1c(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c(C#N)c(=O)n(C)c1=O 30617236 OBXXLHPBWRXBQI-UHFFFAOYSA-N 458.327 0.773 30 20 JCED CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 105053195 WHSOVLDIHSFQCF-QGZVFWFLSA-N 474.630 0.452 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828502 YQGKIVSLRDIPPO-HNNXBMFYSA-N 462.531 0.652 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)[C@@H](C)CC)n(CC(N)=O)c1=O 608910646 BFWFCIOSUOIHPS-LBPRGKRZSA-N 458.496 0.820 30 20 JCED COCCn1cc(C(=O)c2cc(F)ccc2OCc2cc(=O)n(C)c(=O)n2C)cc(C#N)c1=O 643830334 PUYOFUFDTZLTLO-UHFFFAOYSA-N 468.441 0.713 30 20 JCED CC(=O)N1CCN(c2ccccc2CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 725744594 RUDDSGRDTXPLQQ-UHFFFAOYSA-N 455.540 0.710 30 20 JCED COc1cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)ccc1SC 727165100 WQOXMCCMLRCTQD-UHFFFAOYSA-N 450.567 0.216 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 753148884 RTOMQAHRTZEXEJ-UHFFFAOYSA-N 462.459 0.427 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 916661620 DWZKXMIZJFAAOF-GOSISDBHSA-N 489.598 0.577 30 20 JCED COCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1301480355 NPPIPGVSSBEBJC-HZPDHXFCSA-N 454.553 0.156 30 20 JCED CN(C)C(=O)COc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1314646756 ZJSFPWMTXWBKQY-LJQANCHMSA-N 467.530 0.758 30 20 JCED CN(C)CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1517009460 IWQDGRJNCALWOO-UYAOXDASSA-N 474.587 0.898 30 20 JCED COc1ccncc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1518543709 XQPYFPQEHTUBNM-RHSMWYFYSA-N 460.564 0.517 30 20 JCED CCN(CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)S(C)(=O)=O 1695745131 IXQCKFHJDCWVSZ-GOSISDBHSA-N 461.596 0.527 30 20 JCED CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)N1CCOCC1 1741941757 WISKKTRNKNKVEA-YSIASYRMSA-N 494.666 0.422 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCN1S(C)(=O)=O 1750349989 JDQFDZIMIGRLHZ-ZDUSSCGKSA-N 467.502 0.668 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)[C@H](C)C1 1760619246 VHESEFNMXXWCJH-HXOBKFHXSA-N 453.547 0.852 30 20 JCED CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1764675205 QKGGXGGBBUUEFC-OAHLLOKOSA-N 492.581 0.704 30 20 JCED CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H]1OC 1770304947 WFSKBUSXCKLOGU-KDURUIRLSA-N 456.503 0.438 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)nc3cccnn13)C2 1779334130 YLLLYAXREYLMPD-HOOSLVGPSA-N 469.542 0.790 30 20 JCED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1779510595 IDOLIAVJPQPJEL-OPAMFIHVSA-N 457.535 0.933 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(=O)n5[nH]nnc5n4)CCO3)C2)c1Cl 1780191568 FPFHYWHNCCHGOR-HXUWFJFHSA-N 468.861 0.095 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C3)c(Cl)c1 1781107102 LVJBXTIXJNPPLP-NJNPRVFISA-N 461.950 0.932 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)C1 1781606576 JYPYUXKAAIYUTI-IQMFZBJNSA-N 483.529 0.274 30 20 JCED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1)C(F)(F)F 1782872931 DOBQXPAGVPWXIF-IQUTYRLHSA-N 490.504 0.115 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783568370 WAVPCGVDCGQNPF-SAHWJRBASA-N 463.531 0.988 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088820 SQEFREYLRJINNJ-BXKMTCNYSA-N 488.541 0.307 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H]2C1 1785190578 RSUHAKHMVDBSSQ-RDGPPVDQSA-N 498.584 0.182 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1785452554 PTGCYXVHYWABKQ-NOQQUFQASA-N 486.544 0.561 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786839363 BZBCYYKZTPPAQH-XSLAGTTESA-N 478.594 0.275 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)CO3)[C@H]2C1 1789765443 HASUBWYKVVTVCL-LUKYLMHMSA-N 471.501 0.871 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)CO3)[C@H]2C1 1789765445 HASUBWYKVVTVCL-QAETUUGQSA-N 471.501 0.871 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(I)c(O)c3)C[C@@H]21 1791079667 YBZFHCMMIVGASY-XEZPLFJOSA-N 498.273 0.678 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]3C2)c1 1791286939 WLOMLWGCGUZQQR-RJZVVRIISA-N 459.499 0.776 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(N)=O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791378850 DXTODDDVZHGYOM-XSLAGTTESA-N 464.563 0.797 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1792148476 KUCUERDEVWTXEJ-BQFCYCMXSA-N 488.591 0.777 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2ccccc2[C@H]1O 1793031793 GJOLDZGDXYKSOK-PAHZEPAISA-N 453.539 0.730 30 20 JCED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)C2 1793321884 RTIZVNJLLYUWQB-RMFSNUHRSA-N 463.556 0.983 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1793359034 IWVINZXQCRKHGO-AVEIZBFRSA-N 455.552 0.443 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)OC 1795135439 ACTUFRDPJYOXMH-YYAJDYIMSA-N 451.520 0.446 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2cc(C)ccn2c1=O 1797065163 AZVMIJRGDIRVBX-BEWPNNSKSA-N 465.510 0.065 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](COC(C)=O)OC(C)=O)c1 1797790018 OOTCBOAWNKFRRH-YHELAOLJSA-N 473.482 0.265 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCCCC2=O)C3)c(C#N)c1 1799239850 RSKCBSVFXRHRTA-NHKMSHSESA-N 454.527 0.711 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1799304119 NHCZAICOQUPBBF-ZQYRFBGISA-N 457.483 0.820 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1 1799821092 GRVZZDWZSJIMRF-KANFNMMFSA-N 466.542 0.994 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(I)c(O)cc1O 1799837997 FLLAGGOHUDOXOL-WRBXQSRGSA-N 456.236 0.539 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(NC(C)=O)c(O)c1 1799845123 RZIUKMNYWMCEJQ-OIQBNGKOSA-N 456.499 0.412 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 1800731938 CXMHUHFHLWGNBI-LWUSAIQQSA-N 469.604 0.919 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801052655 WZQGLMAWPXXRBK-MIVVTYSHSA-N 495.573 0.457 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(=O)OC(C)(C)C 1801969723 QJZMDHHAQINBAZ-CUHXURECSA-N 464.563 0.738 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@@H]1c1cccnc1 1813065360 LCMGDWUEJILEFR-KPDCDPCYSA-N 459.547 0.985 30 20 JCED O=C(CNCP(=O)(O)O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1817235264 GDYSXPGDJPJKSQ-GZSHILNYSA-N 472.439 0.656 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1823386173 KZKVTPKLJDPRCN-INIZCTEOSA-N 488.468 0.792 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670317 GVUCDSOENOVEDJ-RYUDHWBXSA-N 466.516 0.419 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnco1)CCN2C(=O)OCc1ccccc1 1828616393 TZKPCEQLQIRNMD-QHCPKHFHSA-N 466.450 0.828 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(O)ncn3)C2)C1 1829330163 APTDRCZBZHDKMF-DEOSSOPVSA-N 493.476 0.336 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1829758658 MMBKFDVSLHDHGM-OAQYLSRUSA-N 482.526 0.712 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1829769263 PZJFCKFCGGILQP-VKUXZERMSA-N 472.527 0.015 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1829771511 UBANZLNDXOQYOY-GYLQWBMOSA-N 477.558 0.235 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460162 BHLKSAMMEGHKKN-OFNKIYASSA-N 474.514 0.012 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1830465628 OMEPQZKTJAWWDZ-QFIPXVFZSA-N 456.886 0.957 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1830882785 XFUXLXRCYWKVNU-FDDCHVKYSA-N 465.547 0.492 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)C[C@H]3C=C)C2)C1 1831402618 MOZAAZQHRRVCKQ-BWSHLYMBSA-N 491.585 0.951 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1832000304 LXFWAAVXTANSTD-FDDCHVKYSA-N 477.562 0.878 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1CCCCO1)CCO2 1832345515 ZVKAHUQCOGCEHQ-OPLCJOFYSA-N 453.536 0.931 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1833401588 ULZGZVWROHELQS-JOCHJYFZSA-N 463.556 0.749 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)cc1 1833488917 MSAYHLKZEIDQRT-DEOSSOPVSA-N 479.493 0.749 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833840288 LMXLNYHXIHAQJY-AOMKIAJQSA-N 478.550 0.355 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834608141 DMTUYYVXRVROOG-QHCPKHFHSA-N 453.451 0.660 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834666101 CRIOTYVRMINYOP-HNNXBMFYSA-N 461.500 0.084 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834765293 CRXSMLJSWUJVFG-MBSDFSHPSA-N 458.515 0.919 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@]45C(=O)Nc4ccccc45)C3)C2)CC1 1835346657 NQLNHENEDLCFCL-CQLNOVPUSA-N 450.495 0.657 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CN4CCN(C)CC4)CC3)CC2)c1 1835481938 RGELPBISHYKVCX-UHFFFAOYSA-N 482.629 0.999 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1836520233 CUYGYUNXNWNULS-CSKBXNHDSA-N 480.539 0.559 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c4cnccc34)CCO2)C1 1837174239 SDKGRYLIBOOGFM-QHCPKHFHSA-N 454.531 0.915 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c1 1837254564 KYHKSFTZCNKBME-WRAFWBCBSA-N 452.511 0.772 30 20 JCED Cc1nnc(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)s1 1837440981 KBSSSPPMEBWYRV-XWRADEMYSA-N 464.592 0.707 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1837529758 YBCFKAYWABYSNP-CMQXEDBBSA-N 477.543 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)nc1OC)CCO2 1838170229 HQDPHBZBBODFSL-YLNCNTMDSA-N 458.515 0.327 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838581724 LCLRAXWBLXXACQ-DEOSSOPVSA-N 483.525 0.794 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838626110 HWXOEQTZEDMMPL-NYHFZMIOSA-N 475.454 0.432 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1838908429 ZXSJBZUPDNHIPS-HSZRJFAPSA-N 481.465 0.398 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)CCO2 1839085514 IWHOLTAYUWAQTG-ZXJYCPGTSA-N 485.603 0.540 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1839222618 TVPGYVQXZCLDTA-VGOFRKELSA-N 481.571 0.961 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c(Cl)c1 1839424594 SCECEWYTBFPJTO-NRFANRHFSA-N 457.874 0.679 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)C1 1840147526 WUWXOFILYMCZHY-CKLGFQRSSA-N 495.573 0.951 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840170937 FEXPARRMOIQSBO-IEGUWTFLSA-N 467.563 0.637 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(=O)c4ccccc4)CCO3)C2)c1 1840800341 OBLYFTIBNRGRJB-XMMPIXPASA-N 465.510 0.776 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1840909162 NPXGTURYEMILRN-UZUQRXQVSA-N 491.545 0.294 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1840909249 PHNNPDCAMZVRJF-JPYJTQIMSA-N 475.546 0.256 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)N2)C1 1842796996 GPMFMHMFQPNQBQ-HZPDHXFCSA-N 493.561 0.274 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1nccn1)C2 1844215609 ZTGGPTOJCSGDLZ-MRXNPFEDSA-N 491.549 0.287 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc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n1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccccc2C)c1=O 501770903 QVUMWQCXRVFJFE-SFHVURJKSA-N 469.563 0.970 30 20 JCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 502946286 TUHXTRLWGUXCIC-UHFFFAOYSA-N 459.894 0.677 30 20 JCED CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 517115908 DZXRIAGIBJVMKZ-UHFFFAOYSA-N 456.528 0.927 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cc(C(=O)OC)c(C)o3)c2=O)cn1 522390468 NCLRKRIWYYMETC-UHFFFAOYSA-N 485.522 0.069 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccccn2)c1=O 604269790 CAUOBMYKDJYNKT-UHFFFAOYSA-N 491.529 0.306 30 20 JCED CSc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cc1 604270235 VJVNZIKBJQRDRL-UHFFFAOYSA-N 456.593 0.845 30 20 JCED N#CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 609432701 JQKAQTWZXAIYJI-SFHVURJKSA-N 486.550 0.830 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Br)cc2)c1=O 729674158 DIESQUFVTZFFCJ-UHFFFAOYSA-N 496.408 0.499 30 20 JCED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 914651967 JGERVJIRKVIPHC-KVQOCUKLSA-N 453.561 0.885 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)ccc1F 914657422 IPWLCZQLAHDSPR-YOEHRIQHSA-N 476.548 0.775 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)c1 919800819 TXIGDBBJGFZVIS-LGUFXXKBSA-N 497.533 0.850 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCS(=O)(=O)NC)CCOC1 1296673028 TWPDODMOWGSUOI-SIKLNZKXSA-N 490.586 0.929 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1301810418 WNUNAGZCONUHQW-KRWDZBQOSA-N 470.596 0.794 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 1319115851 UTMHRKTXDMRDOE-UHFFFAOYSA-N 462.572 0.727 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 1503476852 PUXGMSYJAUGGAT-GHTZIAJQSA-N 476.559 0.270 30 20 JCED Cn1c(=O)[nH]c(N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c(C#N)c1=O 1639191911 WOUVTJUNTLJEGC-UHFFFAOYSA-N 452.393 0.605 30 20 JCED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1723653194 XXGHRYZOIIHJFN-UHFFFAOYSA-N 475.575 0.725 30 20 JCED CC[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1729246533 SLLABCZMWWXTKL-OKXSDPAFSA-N 480.616 0.888 30 20 JCED CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1741270468 KPGRUHFAEBKGIM-JOCHJYFZSA-N 472.571 0.671 30 20 JCED C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1751145897 UABPJBMEWBXOFI-HKUYNNGSSA-N 481.623 0.462 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CCO1 1767712394 IKSYIOYEUOMVFN-IBGZPJMESA-N 453.547 0.879 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770360894 SIYCJLINQLWCFC-UHFFFAOYSA-N 453.532 0.483 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1771112439 OXDHXRILUDYSHJ-KRWDZBQOSA-N 454.597 0.657 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1778968053 PNEKFWOJABFWNW-GJYADEQXSA-N 460.531 0.396 30 20 JCED O=C(NCCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccc[nH]1 1779060424 BSQIXNVFIVIGJF-DEOSSOPVSA-N 456.543 0.663 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1781165577 OPDJATIICXTXRU-XDHUDOTRSA-N 487.557 0.910 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1782643867 QFXLDRXQQAGAPD-IBGZPJMESA-N 484.504 0.900 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C=CCN1)C2 1783268594 LTYSPJAIIJAOIS-YBJWPOLQSA-N 460.575 0.945 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1783478493 LCDPRJMAVIQYSG-CEGNMAFCSA-N 493.601 0.622 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(Br)ccc1[N+](=O)[O-])CCO2 1783563377 PZCNXSQMVFJTRE-SFHVURJKSA-N 466.244 0.889 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1 1783919453 GKYRJTCDOKAFBM-WJMWBRGCSA-N 461.946 0.822 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2)NC(=O)OC(C)(C)C 1785303762 IVFDANUOCHXJLT-SBUREZEXSA-N 478.594 0.516 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785367471 RKQYYNIIYZQRST-QHCPKHFHSA-N 467.563 0.596 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785367534 VLAWJRJJXNOKTP-AOMKIAJQSA-N 450.536 0.786 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)C1 1786705201 MTIVYFAGYZKODT-XLAORIBOSA-N 450.536 0.906 30 20 JCED CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1)C(=O)C(=O)O 1787198391 XYZNACJSSFWFMZ-CQDKDKBSSA-N 497.430 0.108 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)C[C@@H]32)c(C(F)(F)F)n1 1787198584 PRSLWCNDZWTAQM-HJPIBITLSA-N 494.430 0.163 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)CC1 1788111475 NQVZQNPFXZKWMY-ACRUOGEOSA-N 495.642 0.336 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21 1788639682 RTAQYQXUNGGRAX-JKLQHZFJSA-N 471.510 0.955 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1790585832 QGBNGEFLAVBJSP-JPLJXNOCSA-N 470.574 0.461 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)[C@@H]1CCCS1(=O)=O 1790748255 WISVNTWBDUWVFD-OBHKDQHOSA-N 457.549 0.072 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1791026333 HDWKDVZZHORITH-JCHKBEJOSA-N 475.542 0.701 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(c4ccc(F)cn4)CC3)C[C@@H]21 1791077520 CULMPOJLPRNXDQ-WDSOQIARSA-N 458.490 0.505 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C3)C1 1792443843 XIAQEYOBZRSCEC-DFGXFYAUSA-N 450.536 0.311 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c1ccc(F)cc1)C2 1792489625 AGAUBSDTITZJPP-YQFPCMRRSA-N 472.517 0.392 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1793087493 CNCLLXQQRNRLFL-KWWJQKEASA-N 465.547 0.746 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1793313322 IAVOLESUCFXQQC-UEILYKACSA-N 464.544 0.098 30 20 JCED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(F)(F)F 1794251891 ZFMLFCPUYUTEDT-CLLJXQQHSA-N 468.436 0.190 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(S(C)(=O)=O)CC1 1797140722 FMJCRAOFTUGEAA-OWLYRPNTSA-N 458.581 0.049 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)c1ccc(C)cc1)C2 1797708301 PSVMMHNVXOZXKG-NZGUISNBSA-N 464.584 0.931 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1797816857 UEWFAROQQFZBRR-NZNTWAKTSA-N 471.558 0.502 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799323028 NYMJNNSALPZJNF-PJKMLTEKSA-N 451.520 0.510 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 1799574095 YKPMUJUYEWMMEJ-GPVSGQMNSA-N 487.468 0.778 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1801002188 WVGIJBYDFYQMOT-KYHPRHEASA-N 467.567 0.494 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=C)CN1C(=O)OC(C)(C)C 1801102561 RKPCKEYJVZJVSP-PKRADWSKSA-N 476.574 0.832 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806083000 KQKVOGXNDQASGO-FHJRRFLCSA-N 495.540 0.870 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803700 HNCVKXXOOVVGTR-SGECOUMVSA-N 474.495 0.860 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=N/O[C@@H]3CCCCO3)CC2)N1 1828970857 QHCFZLDKYDXRTE-AEKVVBKHSA-N 463.535 0.733 30 20 JCED CN1N=C(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)CCC1=O 1829628625 QZZQBMGPGWWDJW-XMMPIXPASA-N 467.526 0.555 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC(=O)CN4C(=O)OC(C)(C)C)C3)C2)C1 1829660818 GCSMIBAPRLLHSK-YADARESESA-N 477.558 0.988 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1829690694 DFFGOFGQEJQXEN-JJEOQYAHSA-N 480.562 0.364 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ccc(F)cn34)C2)C1 1829771835 XEKVEWAKNSJXPK-POUSAUBHSA-N 485.516 0.710 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)[C@H](O)C1 1830049427 DWSKMCFWDFVBCF-HOOSLVGPSA-N 494.589 0.610 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1830879965 DYSBIUFYKJRKBH-HTAPYJJXSA-N 466.535 0.382 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1ccnc1 1830986852 GWSNYOYBQWALGI-JPYJTQIMSA-N 453.499 0.851 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(NC(C)=O)c3ccccc3F)C2)C1 1831398952 NFPJBPFLRHEXEE-XYHYBEPMSA-N 489.544 0.672 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1831399252 UAIDLOCSPGXXBE-FDDCHVKYSA-N 453.499 0.376 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)Cc4ccccc4C3=O)CC2)CC1 1833336698 BTVUXLDPGBSAAP-UHFFFAOYSA-N 450.539 0.806 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833570686 UGJILWPVRWYQJI-ZYYXFKTRSA-N 461.450 0.565 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833615975 JJJAJUMCMZUUMH-UHFFFAOYSA-N 493.564 0.824 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768797 PNSWFYAQJGBIMF-SSKFGXFMSA-N 466.535 0.117 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cn1 1835098266 FNZIPEKDUXDARR-VWLOTQADSA-N 497.573 0.748 30 20 JCED COC1(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)CN(C(=O)OC(C)(C)C)C1 1835342086 PQNRPAJOHCGQPE-DEOSSOPVSA-N 492.573 0.773 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1835675329 NSPNAFHWHKCWKP-OGJPMFGRSA-N 497.596 0.597 30 20 JCED Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835803972 PJQHTKLOFRMNQR-FWAUGURXSA-N 467.548 0.633 30 20 JCED CCOc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cnc2c1cnn2C 1836378282 FHJRMOGBENSNFE-DEOSSOPVSA-N 493.524 0.951 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1837399249 PFWITVZYXSDFRD-CYFREDJKSA-N 457.527 0.573 30 20 JCED Cc1nn2cc(CC(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)nc2s1 1837440652 RHKIRMNZJABHCH-HPARJBSBSA-N 489.602 0.570 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837489241 AIGYYYJGTLFAIU-DEOSSOPVSA-N 467.526 0.727 30 20 JCED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c(O)n1 1837490392 BVWDIPLHUJAHQZ-XMMPIXPASA-N 457.527 0.864 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1837560185 RVQNHNKJMIZFEB-HMONDQCUSA-N 486.569 0.946 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn1 1837563603 RCXYKZGBZMVBTE-JJDHCWFKSA-N 470.482 0.650 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838161572 OEVIXPLNHQVCHY-YOXWTLATSA-N 450.442 0.288 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1838403693 FKQUPUFUEZOFBY-DZQSVEARSA-N 475.546 0.771 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1838907733 LFIUAYGBHSVZCZ-NTKDMRAZSA-N 455.559 0.264 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4)C3)C2)c(C#N)c1 1839131617 NXZDOJZGCZNAEN-HSZRJFAPSA-N 451.483 0.670 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)N4CCN(C)CC4)C3)C2)c(C#N)c1 1839133082 ZUWBXJQGVWPXNO-FNZWTVRRSA-N 499.612 0.202 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1839175097 OZDLYCLGXZZSFO-VGSWGCGISA-N 461.519 0.243 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c(Cl)c1 1839422970 UXEKVUHTHFQDDM-KSFYIVLOSA-N 460.918 0.808 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487607 CGLFLUWGDSCBAQ-XMMPIXPASA-N 479.541 0.786 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1noc3ccc(Br)cc13)CCO2 1839617619 INRSDFPRVMWFRQ-HXUWFJFHSA-N 492.282 0.748 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1839622430 DQWYCKRTBSYYFX-XMMPIXPASA-N 489.573 0.298 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3Cc4ccccc4N3)CCO2)C1 1839734897 BKAZXGCWENHPNF-GBXCKJPGSA-N 455.559 0.761 30 20 JCED CCOc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cnc2c1cnn2C 1840159972 SKPCWZKZOHITFX-SPLOXXLWSA-N 463.560 0.755 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c(O)n1 1840379278 HPXGGUOGPNMCIC-JOCHJYFZSA-N 488.570 0.886 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1840811719 TXZKEEXDLVZTSQ-SANMLTNESA-N 496.564 0.917 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1840916220 BWLSULFJTXOIBM-DVECYGJZSA-N 481.590 0.911 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)C1 1845107391 ZIIZUIMVWBJLKF-AYIMAKJXSA-N 480.562 0.947 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=S)NCC)C2 1847071358 QVSTVCSPCPSBDJ-HNNXBMFYSA-N 451.593 0.590 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nnn2c1CN(C(=O)OC(C)(C)C)CC2 1847802319 SKAFUGRELHMTQQ-IKGGRYGDSA-N 472.546 0.883 30 20 JCED COC(=O)COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 409941678 BFLMHADMHXHHRL-UHFFFAOYSA-N 479.536 0.805 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 516442687 TVPOOHPBVSNNFD-UHFFFAOYSA-N 483.550 0.866 30 20 JCED N#Cc1nccnc1N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 522625202 QMPNGCKAKJTDNQ-UHFFFAOYSA-N 459.488 0.604 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(C(N)=O)cc1 523251940 QGQIBDXVSBSMBA-UHFFFAOYSA-N 451.533 0.580 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1-c1ccc(C(N)=O)cc1 523256281 ANRMIDMQIOXKTG-UHFFFAOYSA-N 476.558 0.880 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc3c(c2)CCO3)c1=O 523734019 NYYRHTLZTYEQCU-HNNXBMFYSA-N 457.552 0.535 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCc1cccnc1 524109429 ASMALKBCCBNYDN-UHFFFAOYSA-N 464.547 0.822 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O 608911033 FKFSWIGMUYUIDG-UHFFFAOYSA-N 481.397 0.781 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3ccccc3)cc2)c(=O)n1CC(N)=O 608911393 DGBZAFJWEJBVRT-UHFFFAOYSA-N 474.542 0.779 30 20 JCED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1C 608912227 INGUYWYGYCHJTL-UHFFFAOYSA-N 476.624 0.412 30 20 JCED C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)cc2C1=O 642547239 IZGLHUFAUFCKQX-UHFFFAOYSA-N 472.479 0.307 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 729671552 LHOAEBYXGXPWKC-HNNXBMFYSA-N 471.579 0.924 30 20 JCED Cn1cc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 761024281 IASFUBFTKMLVFP-UHFFFAOYSA-N 461.456 0.495 30 20 JCED CC(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1360269712 SVRIXNVHJBHMIF-UHFFFAOYSA-N 465.562 0.908 30 20 JCED Cc1nc(S(=O)(=O)N2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)cs1 1460048386 PFOGHIBNMJQZTO-KRWDZBQOSA-N 454.622 0.450 30 20 JCED CS(=O)(=O)CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1 1505127145 LXFRCTAZUNUZCT-UHFFFAOYSA-N 458.544 0.880 30 20 JCED C[C@@H]1CCCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1512186026 MBAJXXPCAXCBHE-YRXWBPOGSA-N 481.623 0.460 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1517627451 MVGRLCUYFJMGTR-SFHVURJKSA-N 487.586 0.869 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CCO1 1554452064 UIWMMQKGCCOBQO-SFHVURJKSA-N 490.586 0.893 30 20 JCED COCC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555417280 KDQDPFKEODSONS-HTAPYJJXSA-N 454.535 0.889 30 20 JCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)C1 1555985863 WLADULNDVHKIHV-CXAGYDPISA-N 457.557 0.050 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 1596296813 JQYYTSLBBOUPNK-SFHVURJKSA-N 480.573 0.560 30 20 JCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1=O 1618488633 OZZVRVHKAPDURQ-UHFFFAOYSA-N 459.532 0.043 30 20 JCED CCOC(=O)C1([S@@](C)=O)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1627828294 OWSJRPWHMWCESL-MLNJSSBLSA-N 455.558 0.528 30 20 JCED C[C@H](CC(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 1635080245 ZUGLRERGOKQCNR-IJEWVQPXSA-N 456.590 0.728 30 20 JCED Cc1c(Br)c(C)n(NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c(=O)c1C#N 1654530988 MJWCXAOMXDQSMH-SECBINFHSA-N 457.310 0.270 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1723661369 NRDXLLDTLVRGAZ-UHFFFAOYSA-N 452.562 0.379 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)C1 1741984474 RJIFGZFDRZKDPA-YJBOKZPZSA-N 456.594 0.346 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777716527 MDPKCJFXNJVDCS-VGOFRKELSA-N 492.602 0.247 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020177 HWQUCBRDVSWOHH-FNTUXYJSSA-N 493.605 0.658 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1779104510 ARGDRNPDFFZJLA-VHVRDPDASA-N 450.414 0.024 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)Cc2cscn2)CCO3)c(C#N)c1 1781172281 GUDDPLVWLKUKEX-REWPJTCUSA-N 469.567 0.966 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)C1 1783033215 JWISPPSADURCDZ-QHCPKHFHSA-N 455.467 0.173 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567678 WHIUNVXDOHRBMQ-GMWOSMDTSA-N 461.515 0.551 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783897611 CMQFXSBNBDBBQE-MNVSYLFESA-N 459.565 0.591 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1783976049 GHPPHBQVAYXOCW-HXUWFJFHSA-N 452.433 0.999 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CN5CCOC5=O)[C@H]4C3)c2c1 1784280083 HWDCJFHRPYQVQY-ZVZYQTTQSA-N 452.471 0.480 30 20 JCED O=C(CCNC(=O)c1ccc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1785248934 GTGIEUSPNQRWKI-ZJOUEHCJSA-N 470.570 0.813 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1)c1ccc(O)cc1 1786803812 ZWYLGBWXJKKRHA-FQFSJJOFSA-N 470.570 0.462 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1788471944 LGLAFHUPGWZEJT-GGLFYADGSA-N 470.486 0.092 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1789905888 XVKHUYIZTNAUQS-XSLAGTTESA-N 487.619 0.870 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C(F)(F)C1 1789949749 JGTHLGGPWZYWRA-NXOAAHMSSA-N 499.511 0.946 30 20 JCED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(CC#N)cc4)[C@H]3C2)CC1 1790141529 JDHCMCLNNYTRRC-VABKMULXSA-N 453.587 0.983 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3NC(=O)C4)[C@H]2C1 1790444669 KDHHZOHGAOKQBS-JWKLDCHBSA-N 452.511 0.633 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])c(O)cc1C)C2 1792490778 NBZAPGKMVIOANY-XKQRQZJESA-N 458.471 0.670 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1792889371 PAHSQYZWMZRQOL-YRPNKDGESA-N 472.542 0.841 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)c(O)n1 1793999893 CXWCNSIMQOZSOA-YVWYUNDQSA-N 470.486 0.914 30 20 JCED Cn1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)c1C(F)(F)F 1794274793 WOWQDZZZKSOFLU-DIYOJNKTSA-N 490.332 0.997 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)C[C@H]1CO2 1795411616 ZUCJVNMVVIODKS-TURABVPUSA-N 460.531 0.658 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)c1ncn2nc(N3CCOCC3)ccc12 1795968619 LVKSFLPHOZBODE-OPMZPASUSA-N 464.526 0.183 30 20 JCED COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)cc(OC)c2)C3)n1 1796597239 DPXUYAAFXSCZQB-RMFSNUHRSA-N 453.499 0.927 30 20 JCED O=C1COc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)cc2N1 1797450570 NWIFKLZNYOUARL-IUCMUBOISA-N 455.515 0.692 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCC#C[Si](C)(C)C 1797729845 QQIQZEKGLYUUGI-GNBUJSLZSA-N 471.696 0.955 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3(O)CCCCC3)cnc2c1 1797782654 HIQVAFICXAGEDY-BBIADKPPSA-N 478.549 0.905 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)n1nc(C)ccc1=O 1797908650 CQLJUFQOOXTWGM-XEMDLRDOSA-N 460.531 0.386 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1I 1798114144 ITHMYCQFOZHMSO-CKEKPRIKSA-N 450.302 0.536 30 20 JCED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)cn2[nH]cnc(=O)c12 1798464809 QLSVICKJNXFGBA-XEMDLRDOSA-N 467.526 0.233 30 20 JCED O=C(Cc1cn2c(nc1=O)SCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1799073328 HBKCBQNUZRNLAP-GTVAPADQSA-N 471.539 0.193 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 1799841447 DJBVCDPZPWXRFP-JNNRSPCRSA-N 461.471 0.854 30 20 JCED C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800774072 OEGCSQKECOUVJJ-ISIBIEBGSA-N 463.531 0.557 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H]2C[C@H](O)[C@H](C2)N1C(=O)OC(C)(C)C 1800788563 WURUGLAHEKNKAH-QDRMNVNKSA-N 469.604 0.653 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)O 1801952292 YZGBYOUDZDYWAV-NQNKBUKLSA-N 468.551 0.811 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)[C@@H]1c1cccnc1 1804112341 QSIYEPFFCRJHHF-PNCHPQGNSA-N 452.511 0.967 30 20 JCED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804194628 OMLDPKGFHAGUAR-RXVVDRJESA-N 466.629 0.737 30 20 JCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccccc3C(=O)OCCO)sc2C1 1821370368 MHXMXWNLBXSEDK-LBPRGKRZSA-N 457.464 0.606 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCN2C(=O)OCc1ccccc1 1828643587 IKWIFSBKPOZYIZ-RUZDIDTESA-N 492.488 0.474 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]n3)CCN2C(=O)OCc2ccccc2)C1 1829034460 WGXGWVLWLKMQIB-UUOWRZLLSA-N 480.525 0.909 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCN2C(=O)OCc1ccccc1 1829136948 WUNOHHASIUIUSV-NTKDMRAZSA-N 464.526 1.000 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(C)c3)C2)C1 1829764842 ASGDYYJAYCVMMG-IYZQMXKPSA-N 458.515 0.327 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)cc3-n3nccn3)C2)C1 1829768582 BGSBDQFDWFNJGW-KBDOHKNDSA-N 494.552 0.504 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CC)CCO2)C1 1830534069 WNJPCRDPBYBYBT-ROEJJBDBSA-N 467.563 0.683 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC[C@@H](C(=O)OCC)C1)CCO2 1830699468 VAKACXKUUQNECQ-PXBKYCOCSA-N 491.585 0.671 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H](F)CN3C(=O)OC(C)(C)C)C2)C1 1831391437 BHJXHMIXKGRDID-FLFXDLLNSA-N 497.564 0.829 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1831397673 VNOUVBRFMVBTHN-MBSDFSHPSA-N 453.499 0.376 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1831412967 KIHYMJGJHFMUBI-QFIPXVFZSA-N 461.494 0.921 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1831616274 TUBXROHOCAIKNU-YTZAWJCFSA-N 494.589 0.520 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)Cn3cccn3)CC2)CC1 1833073976 VDEMQECDLQEACZ-VOFKWLDRSA-N 456.591 0.949 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1835095776 DEPVDPHJLAWUJE-QFIPXVFZSA-N 453.455 0.299 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1835101556 GTHLHLFBICKRGV-VWLOTQADSA-N 459.506 0.780 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)CC1 1835674886 GVQXCPXCVMVULH-JXQFQVJHSA-N 478.590 0.704 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)cc1 1836128806 WKUJFXNGHVDLJT-HSZRJFAPSA-N 452.467 0.651 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@@H](C(=O)OC)C3)C2)C1 1837403675 XPQKPZMSLAWSNA-YDLHNXBPSA-N 466.575 0.995 30 20 JCED CC(C)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(C)C 1837442321 VWLCJGZRJZNJGT-KTGCVPNGSA-N 451.612 0.937 30 20 JCED Cn1cc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837489927 ZQXZIOLUNBOLTH-XMMPIXPASA-N 458.559 0.508 30 20 JCED O=C1Cc2cccc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)c2N1 1837492160 BPPRNLZDNOQJIX-SANMLTNESA-N 481.549 0.950 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1837493592 MCKBRRAMSBMXCO-XMMPIXPASA-N 456.543 0.564 30 20 JCED Cc1nccn1CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837532202 ADUITMLCIUAQAV-RVZOMNRZSA-N 477.562 0.957 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1837560046 NNGJGPPFDYYLIJ-WERUZOGYSA-N 461.515 0.744 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1Cl 1838598694 YGDBSPYBFWEBRB-JOCHJYFZSA-N 484.900 0.484 30 20 JCED CCOC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)ccn1 1838721853 YDJCIMCWRFFWPN-XMMPIXPASA-N 487.557 0.610 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838795625 AWCQYBDCQKAEJI-BSEHWYNJSA-N 498.540 0.866 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187180 OALIMEXHLSDFPP-MZNJEOGPSA-N 482.516 0.987 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1839204015 DNUDCGKWLHGCHV-XFAGBWLFSA-N 499.605 0.292 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccccc2C(N)=O)CCO3)cc1 1839349238 LGKIFPXGKWAYKO-RUZDIDTESA-N 462.506 0.970 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1839387810 WDPKUYLAYNMUDD-MBSDFSHPSA-N 474.514 0.471 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839692178 HBZYIXYLTOQXHK-REWPJTCUSA-N 462.616 0.794 30 20 JCED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1839885690 MAGGCPUFWHTMIG-NRFANRHFSA-N 493.358 0.917 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840077861 PUQNRESWQRDPGP-HSZRJFAPSA-N 486.562 0.022 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)CCO2 1840092952 DZPHYTSDLOLFOA-FQEVSTJZSA-N 484.962 0.378 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1840157201 HTHXCAZGMAYVHC-KKSFZXQISA-N 475.608 0.693 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840164630 DIPZWKNBZYDVHD-BTYIYWSLSA-N 452.529 0.627 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1)c1ccc(O)cc1 1840220254 FFDBIFRHSNHVRT-RDPSFJRHSA-N 492.594 0.780 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1)c1ccc(O)cc1 1840221038 QWOVGEVZFPWEGJ-MHECFPHRSA-N 468.510 0.222 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840276756 AIRAOCIJDZUNBS-SBUREZEXSA-N 479.530 0.178 30 20 JCED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)cn1 1840464157 AHQYMPZTYDLRDV-ZDUIWUOISA-N 458.540 0.920 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840714114 NLUJLDPCHVMTTJ-NVVBAYIOSA-N 457.531 0.831 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840771772 OJXINFXMTBUQKC-FQRUVTKNSA-N 497.548 0.759 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1)NC(=O)OC(C)(C)C 1840795890 IHPRLIGHEUZYJI-VGOFRKELSA-N 455.552 0.949 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818394 ADFSJYRLCRAEDP-JTSKRJEESA-N 479.555 0.074 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818616 LZFVSIMTSMXRPH-QHCPKHFHSA-N 467.482 0.506 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CCC1 1840881725 LIBAHCWNCUSUNP-OJZQOFKYSA-N 457.483 0.967 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1840908974 TZEBCXWUHUHPNI-NRVLJVOLSA-N 477.558 0.252 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842880905 CZXGYJQXIIXJKO-IRXDYDNUSA-N 463.579 0.479 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301660 AHONGHCWOOHKKX-RNZRIQSHSA-N 468.551 0.995 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1846330604 HIPNBDRLGNVLEW-DLBZAZTESA-N 485.603 0.556 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Br)c3c(c2)OCO3)c1=O 489577018 KUEKFYCRTVWWAA-UHFFFAOYSA-N 492.351 0.853 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CCN(C)CC2)C1=O 508968309 KBTDMOVACBVAIP-GOSISDBHSA-N 453.499 0.085 30 20 JCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 520546768 ZAUSRIRWLAAZJW-UHFFFAOYSA-N 469.527 0.813 30 20 JCED COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 551386132 QKMDEOYJYKOFOW-UHFFFAOYSA-N 486.506 0.582 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O 590292826 ZYLVWVYYIYBHPO-UHFFFAOYSA-N 487.525 0.995 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)cc1 604162714 UKAHONWFGWWUDE-UHFFFAOYSA-N 469.479 0.361 30 20 JCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 604196035 BVWQPXJZYGVODT-LJQANCHMSA-N 491.595 0.384 30 20 JCED CS(=O)(=O)N1CCN(CCNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 604466103 XCXBZOIYJIZTOP-UHFFFAOYSA-N 475.531 0.679 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 614831206 KXNLNCDOKXKHSD-UHFFFAOYSA-N 450.498 0.824 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CCNS(C)(=O)=O 727163692 FYUKBSPPRLLZER-UHFFFAOYSA-N 497.602 0.644 30 20 JCED CCOC(=O)C=c1sc(=Cc2ccc(O[C@H](C)C#N)cc2)c(=O)n1CC(=O)N1CCOCC1 728695997 KFHOHKCETAWVMI-MRXNPFEDSA-N 471.535 0.232 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCS(C)(=O)=O 731204215 BAQHZIPFCJEWTA-UHFFFAOYSA-N 491.635 0.617 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1 919048548 NVNDRZXYSXYZAB-UHFFFAOYSA-N 464.521 0.475 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NNc3ccc(S(N)(=O)=O)cn3)CC2)cc1 920372501 OATQLVCYFYUNLS-UHFFFAOYSA-N 466.545 0.940 30 20 JCED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1OC 1300190982 KDEAIERDELRGCP-DZGCQCFKSA-N 450.521 0.683 30 20 JCED CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1314558918 KNSSNDDUWOZIMT-UHFFFAOYSA-N 461.596 0.725 30 20 JCED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)COC)CC2)CC1=O 1316116683 MZYADPCROSXICD-IBGZPJMESA-N 481.557 0.607 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1360298866 MHRIOHUGVPZZPJ-UHFFFAOYSA-N 452.563 0.942 30 20 JCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)CCOC1 1502718955 UYCNBGMQOPUFJW-GHTZIAJQSA-N 481.623 0.435 30 20 JCED COc1ccncc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1518543712 XQPYFPQEHTUBNM-WMLDXEAASA-N 460.564 0.517 30 20 JCED CNC(=O)c1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c1 1554415123 LYEAYZKFKBXWPF-YJBOKZPZSA-N 475.575 0.757 30 20 JCED Cc1c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)sc2ccc(C#N)cc12 1621721731 VWFFJTYGOONYTO-HOTGVXAUSA-N 455.583 0.858 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1693953764 ZRPXKPZALPUZSC-SFUIVIKGSA-N 458.560 0.850 30 20 JCED CCc1nn(C)c(CC)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1727480563 UDXMSFOJESZOFA-WIYYLYMNSA-N 494.597 0.960 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1729221755 LZDXFLAWQPIQHE-AWEZNQCLSA-N 454.578 0.625 30 20 JCED COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1729763189 MAFMGKOLUCNWPQ-HXUWFJFHSA-N 451.531 0.980 30 20 JCED CCCNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1745784392 JMHAJNIEMFLIKB-INIZCTEOSA-N 467.596 0.657 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1751222151 OSLWKMXPXNSLML-ZUOKHONESA-N 461.523 0.664 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769103747 WXICNRYEHVRHJC-INIZCTEOSA-N 468.566 0.242 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1778792443 OTCBYKZONGESJC-AUSIDOKSSA-N 474.514 0.853 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779545049 OMRMTEXALAIJCO-XPTSAGLGSA-N 450.302 0.776 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780156717 UPPARWFZYWTJOG-XMMPIXPASA-N 474.510 0.789 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1 1781103316 QDKNGZYRHCFVSA-WZONZLPQSA-N 479.472 0.870 30 20 JCED CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1781474272 FZNJUCBZXPZHQW-IIBYNOLFSA-N 452.625 0.266 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN)C2 1782178579 OQJACORISANDOP-YGKZAACZSA-N 497.593 0.265 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)C=CC3=O)C2)ccc1F 1782316558 LNJNTEPGMLBFOU-NTKDMRAZSA-N 468.485 0.679 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782962078 UKMBTSKRKLDFBR-YVHKJVDXSA-N 485.603 0.863 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1)c1ccc(O)cc1 1783262563 YBQUNTSHDFUFAR-BWKNWUBXSA-N 473.570 0.006 30 20 JCED COc1cccc(N2C[C@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)CC2=O)c1 1783445886 NQAHJXYUTCEKSD-JSJNYSNDSA-N 469.494 0.116 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783455240 JXKFKLQWNHFQND-JOCHJYFZSA-N 460.531 0.996 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783993555 ONPSOIBFQCGTMW-KFGODFMUSA-N 469.579 0.425 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CNC4=O)[C@H]3C2)cc(C(F)(F)F)c1 1784952547 FBONXQBYHDDOKA-JQFCIGGWSA-N 493.442 0.722 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785785858 QYHQPWWDEMKJMO-JYAXBFRTSA-N 499.612 0.574 30 20 JCED Nc1n[nH]c(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/C(=O)c4cccs4)[C@H]3C2)n1 1787511837 ASIQFPZLCCTDRP-ITQIOGMESA-N 458.544 0.800 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788706268 UFFJMEJIDMFMHV-BGJMDTOESA-N 459.547 0.148 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2C1 1789270408 UHTXYKVOTFUMOS-FJXLLPKBSA-N 464.906 0.869 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]32)c(C#N)c1 1789839935 VEYIDQLFOBHIHK-OQRYQMPQSA-N 477.583 0.770 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906899 WUZWETQKBUSFGV-IEZWGBDMSA-N 461.563 0.704 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)N4CCOCC4)C[C@@H]32)cc(C(F)(F)F)c1 1790256080 CXXOIJOJIASKLT-LDBRAYGESA-N 496.486 0.821 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21)C(F)(F)F 1790882674 GPVNWRZNXTUBTN-QEJZJMRPSA-N 472.489 0.990 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1c(=O)oc3ccccc31)C2 1795598206 HCHHGQUMOIXXSV-UPHUGPLXSA-N 469.542 0.856 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1797784358 BESIYROUEFGPLO-AGGWBTHJSA-N 455.437 0.725 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1797785162 XOJKWTRWYHXMGU-RMFSNUHRSA-N 486.594 0.180 30 20 JCED CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)n1 1797808631 LKTNVSHHEYRGES-XMMUTZDYSA-N 459.503 0.772 30 20 JCED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)ccc2F)C3)no1 1797829565 VXPGQYFTVDWCAG-YVWYUNDQSA-N 455.446 0.627 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2cccnc2)[nH]n1 1798157734 HENJMSYABVGDPJ-XEMDLRDOSA-N 451.531 0.957 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)CCOC1 1799334204 RLNGXVWQDJXLEA-FIEAQMJYSA-N 473.530 0.773 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](N)Cc3cccnc3)C4)c2c1 1799882299 CUKNORJMJUOFBE-NZGUISNBSA-N 459.510 0.603 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883031 DCKMZTAILZVZNS-QXGSTGNESA-N 498.540 0.523 30 20 JCED CN(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800907885 MAJCDYRTJJFCTN-YALNPMBYSA-N 458.625 0.739 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)[C@H]1c1cccnc1 1802487293 HCRMICCRESKMQQ-JYBLIBBXSA-N 468.602 0.582 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807147658 NYOWYRIYYKTMFB-ACRUOGEOSA-N 487.557 0.864 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@@H]1c1cccnc1 1812408534 GXUUKVMUDFPWKX-BLIXFSHQSA-N 467.482 0.896 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1812494357 VDFJXFNAHPHVAO-UXNMWSRASA-N 460.556 0.523 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1819710820 UWWCDVQCCFWGSR-RNCFNFMXSA-N 458.504 0.068 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@H]2NC(=O)NC2=O)CC3)c1 1821384527 DBMNKYIXAFFBJZ-IUODEOHRSA-N 468.495 0.847 30 20 JCED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)CC2 1825030151 WAIDDMMXBDUTGG-ZDUSSCGKSA-N 461.544 0.768 30 20 JCED N#CCCC(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990765 ULWFVZAXVVTFLT-DVECYGJZSA-N 484.557 0.335 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CN)C3)C2)c1 1829181927 XQBULCTWTJBRCJ-HSZRJFAPSA-N 450.499 0.911 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)CC1 1829332267 GXALNUQJKUFRIT-DEOSSOPVSA-N 464.478 0.830 30 20 JCED Cn1nccc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332509 PBRNOSSEFMNXHO-DEOSSOPVSA-N 479.493 0.574 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)n1ccnn1 1829635749 NDBZIEKKVXTIAZ-FDDCHVKYSA-N 452.515 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)c4n[nH]cc4c3)C2)C1 1829771525 ULHKFCHWAMLQRE-WRAFWBCBSA-N 467.526 0.800 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1829860110 NQIDEFQAXUJTPX-NZQKXSOJSA-N 458.515 0.552 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)CCO2 1830836137 MGILDLWBRHHLBY-DEOSSOPVSA-N 468.510 0.362 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC4CCOCC4)n3)C2)C1 1831396299 IZHCXKBRBQWFQU-UQBPGWFLSA-N 487.553 0.748 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1831397456 YOIDYOVEVRGDOR-UWJYYQICSA-N 450.561 0.446 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831402022 LMSBOTPZMKUGNM-VWKIKIOWSA-N 467.522 0.391 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)C2)C1 1831402330 VCWUTCSYBBBIJA-QKFIJCJASA-N 491.585 0.881 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1831418761 GPAIUDLCZTYOBY-YDIMBITNSA-N 497.589 0.670 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1831425109 QQLSVLQCHAGLRQ-HTAPYJJXSA-N 481.571 0.287 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1831435121 LTQGCXQGMNBEHE-IVZQSRNASA-N 476.555 0.787 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1831437344 DDKJTSFHHUGEEV-VGOFRKELSA-N 455.552 0.949 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1831491477 DCORUNOQMXLLPS-UWJYYQICSA-N 452.577 0.949 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1831999957 FEGNKYATBOHCKI-CYFREDJKSA-N 491.589 0.888 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832424467 ZDGRROHHLUQSFA-OCNXCNKESA-N 480.562 0.374 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3Cc4ccccc4CN3C)CCO2)C1 1832462966 HKWXHSXWKNUVLI-RZTXVSJASA-N 455.555 0.538 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4C(=O)c5ccccc5C4=O)CCO3)C2)CCC1 1832536230 ZNKFCOKKKVWGID-RUZDIDTESA-N 480.521 0.823 30 20 JCED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n1 1833092574 SDADLSJOPYNRFN-QHCPKHFHSA-N 463.498 0.710 30 20 JCED Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1C(F)(F)F 1833326420 OPMVKDRYGBYSEJ-KSRKCLLLSA-N 486.495 0.981 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834769056 YEIYAJRGSJMJNE-GBLYOYEHSA-N 478.546 0.115 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835341892 LHRDGMZSUQPISA-NXMSCROESA-N 492.573 0.364 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836203931 SQXDBGDVFQSYNY-DVECYGJZSA-N 489.573 0.565 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836377849 ASPVASVBRDELDU-WIYYLYMNSA-N 485.628 0.651 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836970707 HDMYTVKEZXONHM-DEOSSOPVSA-N 472.542 0.434 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c1 1837117141 XVABBWYVWSMEHO-IBGZPJMESA-N 471.489 0.908 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nc1 1837441103 RKMFPIWKMGVVSK-YQNSVDCASA-N 493.586 0.027 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1837443955 UYFRZSAKJIKDGU-RZZUAFPKSA-N 458.563 0.830 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1837465967 RWIIPFYAOPRZDZ-JOCHJYFZSA-N 482.723 0.978 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525640 OCIWAYRTPBTCFH-VDTGVWRYSA-N 468.551 0.134 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1837526838 WBULZQJYUDVTNV-KRMBDEGVSA-N 467.910 0.729 30 20 JCED CC(C)c1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)no1 1837559880 JHPBTUFDZGDIMD-JBMWNJKUSA-N 459.503 0.904 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1)c1ccccc1 1837612985 QSYCFFYUKIAGNX-STWLZBDKSA-N 471.554 0.703 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)ccc1F 1837797390 JTYAPEKMFGPALO-OAQYLSRUSA-N 472.433 0.641 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837972509 KJVGKGIKQUPVLB-KOSHJBKYSA-N 491.541 0.759 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2)c1ccc(O)cc1 1838642830 NAIVUHILABRIMD-DFBJGRDBSA-N 480.521 0.743 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1838953118 SBLIEJBSHZTWLU-YADARESESA-N 455.559 0.264 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839079132 ALGWCTZNKNHTTL-LYXWCMDISA-N 496.605 0.025 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C(C)=O)[nH]n4)C3)C2)c(C#N)c1 1839131633 OWBNBUUIGXUVQQ-DEOSSOPVSA-N 481.509 0.805 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1839173484 UEHOLQKIVLVQPD-JOCHJYFZSA-N 453.536 0.115 30 20 JCED Cc1cnn(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)c1 1839186532 ZPRRPXONKOCXAR-QHCPKHFHSA-N 455.490 0.901 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187535 IJECISJZAGUJIV-GAJHUEQPSA-N 470.505 0.624 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839513556 PBWIIUXIPBKNGM-LETHCJOQSA-N 499.524 0.934 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H]3CCCS3(=O)=O)CCO4)c2c1 1839784617 SITUSSGPHURODI-XMSQKQJNSA-N 487.538 0.082 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839988123 XHHGNOVOUMQYRZ-OPAMFIHVSA-N 455.552 0.541 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840011220 RXSADARAKOUPFX-LFALDJFMSA-N 479.574 0.901 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1)c1ccc(O)cc1 1840220592 VHUAKDZKLLYNKU-CTIGNXTNSA-N 471.554 0.870 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1840819874 KSUPXNSCZCQHNS-VWLOTQADSA-N 490.520 0.679 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1840908597 CKUZRNGZDKQDQI-NBGIEHNGSA-N 486.569 0.997 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)CCO2)C1 1840912911 NDUMCWJFQAKLRU-FJFBRFEOSA-N 491.585 0.879 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C1 1841431209 HSVCUSNLDISDTN-INIZCTEOSA-N 453.536 0.975 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1841745917 UIPMSPFKGLOHHL-CVEARBPZSA-N 472.608 0.987 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842304699 CFHGYNYBXGAGJE-UHFFFAOYSA-N 467.574 0.507 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)C(C)(C)NCCC#N)C2)C1 1842920788 ZUYSCEXOZCMBSF-SJORKVTESA-N 463.579 0.699 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153614 SCNVGEWNRNOLRR-SREVYHEPSA-N 479.541 0.241 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845160539 DTNDDGXLHWVBPB-UHFFFAOYSA-N 467.519 0.226 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 32718262 VXPYFSBMOGYXAI-UHFFFAOYSA-N 496.597 0.814 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 481425682 UAYQWOQIADGZEE-UHFFFAOYSA-N 455.540 0.935 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 501574965 VANIUWZAOJAAOE-UHFFFAOYSA-N 473.599 0.726 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 501773255 YYOZUKQVVJIZKR-UHFFFAOYSA-N 458.496 0.799 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)cc2)c1=O 501775627 PQWZDHBUCMFPQC-UHFFFAOYSA-N 455.536 0.997 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 514979837 UBPBIIKYHDHYOP-UHFFFAOYSA-N 472.523 0.998 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccccc3OCCC(N)=O)CC2)cc1 517113605 RVVPNFAXUZNAQW-UHFFFAOYSA-N 485.522 0.284 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O 524282934 TURWKXFHHRKJLC-UHFFFAOYSA-N 466.519 0.311 30 20 JCED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 600810969 DGAQEGKFTQIRPL-RYQLBKOJSA-N 458.540 0.955 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 603796220 AFNBKNSBRFSUEG-UHFFFAOYSA-N 471.539 0.179 30 20 JCED CCOCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726404540 ZFRNSBHRZYUPCR-XOMICKMZSA-N 454.574 0.839 30 20 JCED N#Cc1cnn(CCOC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)c1N 729808182 FSBQMCVVXAHRKP-UHFFFAOYSA-N 484.332 0.977 30 20 JCED C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(CCC#N)c1ccc(F)cc1 824403791 BHLWCDMAAKIWAM-CYBMUJFWSA-N 456.434 0.451 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CC2)o1 915377212 VPUUKGYCWMZPNN-UHFFFAOYSA-N 497.480 0.693 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NS(=O)(=O)c3cccc(C#N)c3)cc2)CC1 919664885 SHFAWMHKEHCJQM-UHFFFAOYSA-N 476.536 0.530 30 20 JCED C#CCN(CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 920200916 STTCUPCXSNUFNY-UHFFFAOYSA-N 463.604 0.889 30 20 JCED C[C@H](OC[C@@H]1CCCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 921228687 UUQPSAUFJGQTDG-HKUYNNGSSA-N 479.555 0.909 30 20 JCED Cn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)cn1 1298828863 YRYREMTXKDTLCS-UHFFFAOYSA-N 456.532 0.592 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1541675294 HCUGJTDLVIHDIW-GOSISDBHSA-N 486.602 0.571 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(C)=O)C1 1589404539 KNCLUZYFKWWRLY-LSDHHAIUSA-N 491.412 0.625 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCCO 1692662870 JCGHOZYDKIVOEX-FGTMMUONSA-N 469.612 0.196 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](c1ccco1)N(C)C 1706887788 REYIWFUKCBJFCM-JQHSSLGASA-N 476.607 0.961 30 20 JCED C[C@@H]1CN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 1726736343 NLNGAGFQZTWGSH-DBXWQHBBSA-N 499.613 0.554 30 20 JCED COCC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769561122 RIMTYCBSYZDKCI-MDYRTPRTSA-N 452.581 0.144 30 20 JCED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)CCO1 1771537433 OCSKAFWLOKCOTN-NWDGAFQWSA-N 451.413 0.879 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779363666 HTTYXASIKMMKOW-MLVQSYCXSA-N 452.552 0.588 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](S)C(C)C)C2 1779400831 UNEIZPQVKMVPJL-TWFHAPMSSA-N 458.577 0.950 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)N2CCN(C)CC2)CCO3)c1 1780173026 ROWWAWVBKCRSEX-MHECFPHRSA-N 455.559 0.646 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780924740 RHVPNFUYEOXANM-VGOFRKELSA-N 494.639 0.626 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1781290481 HNZJFDAAEVZNNA-MFEFFIJZSA-N 482.578 0.739 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1781294479 LBCWTURKYKGGNR-QRQCRPRQSA-N 463.535 0.552 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1781394312 CSOBFARLRIIJRK-JXFKEZNVSA-N 458.581 0.289 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1783198407 IUZLRTYWYKSDFW-HXUWFJFHSA-N 464.506 0.724 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)C[C@@H]21 1783529154 FNUBSCCEQGQSHM-OHUYTXCVSA-N 455.511 0.665 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783557471 MBTHSAURGVWGSL-UZUQRXQVSA-N 487.513 0.093 30 20 JCED COc1ccc(Br)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563554 UCISLQZAFHDTSH-LJQANCHMSA-N 451.273 0.989 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(OC)nn3C)[C@H]2C1 1785616337 IHBIQSVJKGCSFJ-DWRORGKVSA-N 489.573 0.939 30 20 JCED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)cn2[nH]cnc(=O)c12 1789179703 OGCUMKRRVGIOQZ-CUWPLCDZSA-N 490.520 0.875 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1789911985 GBVUYBCLSAHGHA-KJJMTIBFSA-N 489.569 0.846 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)NC(=O)OC(C)(C)C 1791079317 IYHRBHGGHUPXSI-XSLAGTTESA-N 463.531 0.914 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)[C@@H](O)C1 1792451608 JUCWOHPUQQKJSZ-FPPGBKCQSA-N 487.557 0.707 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1792795502 SAKYMHHKTMTMKK-SNAYSGTLSA-N 470.592 0.542 30 20 JCED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2 1793262721 JVKKPNJITKMUCK-ZMNKMHGQSA-N 481.549 0.761 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)Cc1ccccc1NC3=O)C2 1793345451 UESGHQBSHALXAM-YDGKCNFYSA-N 477.521 0.739 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)CC 1793542752 YPTLDBXKHLZAMF-YYIAUSFCSA-N 455.577 0.976 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794228452 DQPMHXCFMTWMSJ-KYHPRHEASA-N 462.551 0.878 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C 1794571060 LTEGAYYCHMBWBW-YVSFHVDLSA-N 462.551 0.878 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795468454 BHVRXNVWWUKLKL-RCLSDMTESA-N 480.606 0.768 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3ncccn3n2)c(C(F)(F)F)n1 1796957113 LDSMIMSUMJEGRM-JJLQDPRZSA-N 486.414 0.927 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1797709497 KFKOMQZCSOVQBM-JCHKBEJOSA-N 481.590 0.521 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)c(C#N)c1 1799239605 CHAYNIUOHFCSEA-CCWDJLKJSA-N 454.443 0.644 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2 1799321981 VNXLPMDCYPVLBX-USYVTKNRSA-N 496.605 0.587 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(N)=O)C2 1799324291 GSGNHVWQBVLNSF-JYYAWHABSA-N 453.540 0.104 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799710351 USFZJWGJCFMBPF-KPEUIFRASA-N 495.330 0.588 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801987700 DDJPZUFJDKHRHJ-WSRNIBOVSA-N 463.531 0.721 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)C2(N3CCN(C)CC3)CC2)[C@H]1c1cccnc1 1802486730 ASODWOMRFXUSFN-HPISWOMLSA-N 480.613 0.726 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1808463468 FTAFCMMPUQDTOX-GHTZIAJQSA-N 483.525 0.868 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810094154 IFYAKTIZCKQXRG-KAGYGMCKSA-N 472.542 0.851 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)ccc2F)[C@H]1c1cccnc1)C(=O)C(=O)O 1811729307 DJNAXSVAPTWSHO-OXJNMPFZSA-N 467.457 0.955 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1812882910 SUIXIJUKPPFCOO-GERBCZOESA-N 486.525 0.547 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@]2(C1)CN(C(=O)COC)CCN2C(=O)OCc1ccccc1 1828860022 IDYZINXYQRTORZ-HAAQQRBASA-N 484.553 0.943 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCN2C(=O)OCc1ccccc1 1828994428 CLVRDWUOILNKON-QHCPKHFHSA-N 481.465 0.269 30 20 JCED CS(=O)(=O)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829410410 WFOYUTSCEUMKEB-QFIPXVFZSA-N 476.555 0.787 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccc(OC)cc1)CCO2 1830211442 VCFGXCBPNOOVLH-BEOFEIHASA-N 473.526 0.043 30 20 JCED CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830698548 GOYRSVCPLWLNLB-HOYKHHGWSA-N 495.573 0.860 30 20 JCED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1831138785 KMDALSSABOHUSD-QHCPKHFHSA-N 460.531 0.924 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831609887 SBMRLZSLIACQQF-FPTDNZKUSA-N 454.487 0.016 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831989952 PASXLEIKCMQNRY-QFIPXVFZSA-N 452.552 0.456 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1832454637 VFTBMTBBVFVNNQ-HXUWFJFHSA-N 469.585 0.474 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832521496 CROCQDFRISTNHN-GUWIHSABSA-N 467.563 0.771 30 20 JCED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)no1 1832929018 AAUJLMOEDCLRAR-JOCHJYFZSA-N 465.470 0.439 30 20 JCED C[C@@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1833199448 RUPISZOIVTZZAE-GBXCKJPGSA-N 458.559 0.674 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ncn(-c3cccc(F)c3)n1)CCO2 1833351940 RHVVBXJQZNYVJQ-NRDUTDNZSA-N 499.547 0.948 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c(O)n1 1833698946 PWOGCPDNVZDDCM-DEOSSOPVSA-N 474.558 0.308 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1F 1833735646 DMOLTCXMTHWFOM-NRFANRHFSA-N 450.515 0.463 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cn(C)nc3OC)CC2)CC1 1834080840 MUOFHTUWVMNMJB-WAYWQWQTSA-N 458.563 0.472 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3coc(C)n3)CCO2)C1 1834212899 BCZOZUXPZPXANA-GAJHUEQPSA-N 476.530 0.970 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)ccc12 1835342129 LCLLDSFHEQGIGY-XMMPIXPASA-N 481.509 0.885 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1835677301 MFEIXVCQDNVTCR-QFIPXVFZSA-N 455.519 0.310 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731425 LYOLUWRWIZPSGY-FLZWBEAESA-N 469.634 0.995 30 20 JCED NC(=O)c1nccnc1C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1836050401 QTMAPWXKPSAKLS-UHFFFAOYSA-N 482.585 0.459 30 20 JCED COCCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1836551135 IFVWTYYIMFQZEM-CVUWTOEQSA-N 479.534 0.129 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)CC1 1836762638 WXUPTZMYLZKQBZ-SANMLTNESA-N 497.596 0.111 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2ON=C(c4ccccc4)O2)CCO3)c1 1837297260 QWUBTSUNQXIXDG-PKTZIBPZSA-N 465.466 0.691 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1837397894 XJZBTCOVTDVPNN-MHECFPHRSA-N 472.542 0.609 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1837399609 XTCJICKCNJLQQS-KOSHJBKYSA-N 476.574 0.316 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837429997 FXXSYDYPTWOSSY-DENIHFKCSA-N 483.638 0.558 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440452 JPWAUNFMYZLXIH-YGPNGPECSA-N 451.568 0.077 30 20 JCED CN(C)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440867 CGSANWVNDDIKDQ-XTVKVDEJSA-N 458.563 0.689 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446664 MBVYXUQEBJSYOC-IBKIDLIOSA-N 481.594 0.828 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837464540 HHLUHWUUOLEEPE-KTBYTZPXSA-N 480.612 0.427 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837524416 AORSYGYETXFTAL-VJIOCRDPSA-N 462.503 0.689 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1837531147 XKFVXVQSZABQED-ALUBYUQESA-N 471.514 0.933 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837532807 HDOGIUXNOSJMCS-HZCBEHAQSA-N 468.551 0.277 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C1)CCC2 1837565131 MCFICBJYWUZQCX-JJDHCWFKSA-N 455.515 0.691 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838073077 WBOMBBKBIDVVET-DURYTUKUSA-N 491.545 0.655 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)c(Br)n3)CCO2)C1 1838378034 YBRKGVKWXDZYBL-YCRPNKLZSA-N 496.358 0.961 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838418501 BUUHTXFBTLMWGJ-YCRPNKLZSA-N 477.543 0.627 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c1 1838582522 QMIFYMLNQBORRV-UUMVVRSSSA-N 468.510 0.472 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(N5CCN(C)CC5)CC4)C3)C2)c1 1838584633 BBFVWHFWPSMLIZ-VWLOTQADSA-N 497.596 0.417 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c1Cl 1838600436 XDLGAUNVGVQTDS-OAQYLSRUSA-N 458.906 0.963 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1839130893 ZOIJESSWUGBIMN-IECBHUPTSA-N 494.589 0.274 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1839223286 RMDMAEZEDXTRRJ-HRAATJIYSA-N 466.560 0.735 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488165 BMQAUHAUUIKDKU-IQMFZBJNSA-N 466.498 0.195 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCc5cnccn5)C4)C3)c2c1 1839489137 NWRUXPIGQRKYNG-DEOSSOPVSA-N 475.509 0.927 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839893972 BBZYSKAQBSEYCM-FOIQADDNSA-N 495.495 0.837 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C2)C1 1840158207 HMCPPGOEJNYXIX-QMHKHESXSA-N 490.557 0.819 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC[C@@H](N)C(N)=O)C3)C2)cc1C#N 1840763075 GGLLLCROWXDSOK-NTKDMRAZSA-N 487.557 0.008 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1841055230 JLCKUYFEFJLJDQ-PTZVLDCSSA-N 450.536 0.324 30 20 JCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c(C(F)(F)F)n1 1843168830 XYLLCTVVSHPTCU-GFCCVEGCSA-N 450.377 0.387 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)[C@H]2CNC(=O)C2)C3)CC1 1845137847 OPSFTNWXWYQIDD-MRXNPFEDSA-N 459.547 0.867 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1846980494 ISOQFBQDBSTHRU-UHFFFAOYSA-N 451.439 0.911 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCNC(=O)C[C@H]2c2ccccc2)CC1 514003351 LQUKLQBGPDAPEM-NRFANRHFSA-N 481.578 0.954 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCCC(=O)OC 514918545 OFQBOKIRPBPHBA-UHFFFAOYSA-N 458.496 0.800 30 20 JCED C[C@H]1CN(C[C@@H]2CCCN2CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 520044274 DYHJQSOAMCVFEK-VWPQPMDRSA-N 489.642 0.965 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)c1=O 613979342 CNMNLSVXFKOHIU-SFHVURJKSA-N 456.499 0.925 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 725762924 AJWDQVDXMHENRT-UHFFFAOYSA-N 467.551 0.398 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 727417053 CVPBGSXPGUBWPL-UHFFFAOYSA-N 470.532 0.004 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1 728503918 FPAFMNQBEMOWIZ-KQWNVCNZSA-N 492.539 0.648 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)cc(C)c3)c(=O)n2CCOC)CC1 742530974 MEDLYNWQGPAOEH-UHFFFAOYSA-N 454.596 0.840 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 914819892 YBMSXTBFOLPNDF-GOSISDBHSA-N 488.570 0.025 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1 920245786 UDLXMMASEHIZDA-MYYYXRDXSA-N 473.515 0.746 30 20 JCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1299238010 ZEKABOXMPNZXRS-GOSISDBHSA-N 457.560 0.957 30 20 JCED C[C@@H]1C[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCO1 1304942989 JIPZAZQVVQRCCJ-YKTARERQSA-N 456.544 0.868 30 20 JCED COc1cc([C@H](C#N)NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc(OC)c1OC 1325965285 BQXDEWJXAFBVBD-ZNMIVQPWSA-N 451.501 0.429 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1510175120 LZZYLCSCYGRLJJ-ZBFHGGJFSA-N 458.610 0.843 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1539601287 YRYVZFBTTVMPSW-AWEZNQCLSA-N 475.413 0.347 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1541568501 WYTXBVVOTHSVFB-SXLOBPIMSA-N 494.666 0.422 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1541803549 JJHJPVXYUHMCTI-FGTMMUONSA-N 465.624 0.861 30 20 JCED CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1545991846 AVKCSXBTLKLCMP-KZNAEPCWSA-N 467.596 0.213 30 20 JCED CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1610044489 JRKYDDUCMOCHGC-UHFFFAOYSA-N 480.573 0.322 30 20 JCED CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1610277198 INERNVSEQMHPLV-UHFFFAOYSA-N 450.517 0.097 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)o1 1624270028 RHQRNPMXKAEEOJ-JKSUJKDBSA-N 450.517 0.808 30 20 JCED COCCn1nnc2c1CCN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1637436903 XQHNVULROLIABD-UHFFFAOYSA-N 458.544 0.782 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1697307068 HXZMVXZIGNPLBE-KRWDZBQOSA-N 475.575 0.688 30 20 JCED CN(C)[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCSC1 1729326644 WDTSEAYJPLXVAB-MNEFBYGVSA-N 487.627 0.490 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1741150442 IPPISUQIPLYQHD-KRWDZBQOSA-N 481.623 0.903 30 20 JCED COCC[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1749614056 PRBSFLGCMRXPLW-SIKLNZKXSA-N 492.602 0.907 30 20 JCED O=C1NCc2cc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)ccc21 1779103064 NAPUJEVIKUVEPU-ZWGHOPNTSA-N 456.499 0.903 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)CC[C@H]3C(=O)OCN3C(=O)OCc3ccccc3)C2)C1 1780963534 DPPJUSCPETWVJX-CYFREDJKSA-N 469.494 0.751 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1781168352 SRZGRRWWQBHUDX-HXOBKFHXSA-N 474.562 0.955 30 20 JCED C[C@@H](NC=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1781252207 OJMKXASLHZZLAB-HXOBKFHXSA-N 477.562 0.492 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781294496 MHWAUNHQEASHIV-CYFREDJKSA-N 490.532 0.955 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncn3c1CCN(C(=O)OC(C)(C)C)CC3)CCO2 1783050087 FZPIFIJZALQJIF-QHCPKHFHSA-N 457.531 0.753 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C[C@@H]2OCC[C@@H]21 1783567441 PLKRVPGVFZLBEJ-LZDTVADOSA-N 491.541 0.319 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c(C#N)c1 1783929345 LUHXSPKUADHORY-DHIUTWEWSA-N 459.499 0.555 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1784502308 MKQAGYFNZMHHIA-FPXQBCRKSA-N 480.525 0.755 30 20 JCED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1786560199 BWVAWTQARFIINJ-IPJJNNNSSA-N 461.522 0.662 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3c(=O)n(C)c4ccccc43)[C@H]2C1 1788138697 HDCRJQCZMYGFTI-WKRCXCSHSA-N 454.527 0.358 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1788568435 CYPOSZBSGVIPAP-HYJFEMIMSA-N 457.531 0.624 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)no1 1788669621 GYTFROGYAXQEDU-BJLQDIEVSA-N 472.542 0.391 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)c(O)n1 1789294141 YTIWUKYVEQGVMX-FNHZYXHNSA-N 453.499 0.896 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)n(C)n4)C[C@@H]32)c(C#N)c1 1789840201 QABCGMKMDMPUAX-QSFXBCCZSA-N 453.499 0.842 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)[C@H]2C1 1790685989 BQYDSKIUYYARHP-AGRFSFNASA-N 486.569 0.640 30 20 JCED C[C@H]1[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CCN1C(=O)OC(C)(C)C 1791079267 ARPCWJWUTCJBAH-ATIWLJMLSA-N 463.531 0.700 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC(=O)NC)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791377988 DETHBFCFWUYUIN-XSLAGTTESA-N 464.563 0.668 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1792255267 CLCUDQYPOWSHNV-MUGJNUQGSA-N 494.658 0.932 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1793349530 AHHUTNRNSNVXMT-FOZRXDQQSA-N 473.570 0.738 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CNC(=O)c3cccnc3)c2c1 1793958733 MBRLZGVFEJDUBZ-UPHUGPLXSA-N 473.493 0.463 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)Cn3cc([N+](=O)[O-])cn3)c2c1 1794005908 RTNDRPRQWMDVGT-HBCWATKFSA-N 464.442 0.443 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1CCc2nc(O)nc(O)c2C1 1794113551 SHUDZXQWVGGKRK-RNRNKQQBSA-N 472.546 0.054 30 20 JCED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1795423910 KHTQBXUADAQCOQ-RMFSNUHRSA-N 476.555 0.214 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1797121600 QVFNYYYPHGUXLH-XRNRSJMDSA-N 496.605 0.995 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)[C@@H](O)C1 1797310310 XJWOABCWNUWRTR-JMEXBRRFSA-N 464.563 0.888 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1797741138 FGAQTAKFXBTHTH-OMQMMRKDSA-N 483.529 0.353 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1797779410 JETLLWIJTVTYIK-YDGKCNFYSA-N 450.499 0.817 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1799306408 ZLVHPAFQOHURLM-BAYUQKDNSA-N 454.527 0.852 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800182134 VCPNVIKYRNJWPS-HPNQWNLUSA-N 487.557 0.621 30 20 JCED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801444722 XYECFTGUOQDJNH-BQJWPVKWSA-N 466.629 0.724 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)=NO2)C1 1801861019 UMNNWJNAYLGYKK-KATBDVFWSA-N 474.514 0.869 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1802125702 OHMLHMAJRVGSDP-YNVMFWSZSA-N 482.541 0.849 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cccn1)C2 1802127675 WMBURZVOJUMGRE-OYSTVDSJSA-N 459.547 0.950 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc(C)c(O)nc1=O 1804095330 DOGQMFORNVUPMY-XMTFNYHQSA-N 487.557 0.812 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1804346409 PKARSRXSSOPLCM-JQQKAACSSA-N 452.471 0.398 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC4(CCCN(C(=O)C[C@@H]5NC(=O)NC5=O)C4)CC3)c2c1 1806853001 ZPKYCLUNFSVZNI-KRWDZBQOSA-N 463.498 0.877 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1807151677 WTACZYCKARUROC-WIYYLYMNSA-N 451.531 0.626 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2c2cccnc2)CC1 1808268448 YASUFRBCIZZOEK-SLFFLAALSA-N 499.616 0.914 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]2c2cccnc2)ccc1F 1808563499 XXZLEISCRFBHFC-NYDSKATKSA-N 466.517 0.934 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1811407973 VDVFGUOCTDSACF-HRAATJIYSA-N 499.491 0.721 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)CC)[nH]n1 1814433828 ICYHMYLHIASGMA-JMBLZNSLSA-N 466.564 0.588 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCN(C(C)=O)CC2)[nH]n1 1814438337 LYOGDTHEPAPPKK-FQQSSWHASA-N 471.562 0.424 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817078344 XJLWWLWKXPOPFM-DYEKYZERSA-N 450.565 0.258 30 20 JCED O=C(/C=C/C(=O)c1cccs1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1817287089 YXXCOJGOYUUARP-PORFMDCZSA-N 496.534 0.996 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)C1 1818610414 SLDKDBHZQSNQKZ-GUTXKFCHSA-N 492.554 0.761 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819708745 CKQWYSBXJKLZEH-QMTHXVAHSA-N 457.516 0.673 30 20 JCED Cn1ncc(I)c1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825667527 MTMDQZCMDNDWGF-MRVPVSSYSA-N 499.290 0.795 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829472069 RSDDUOKSQUXVQL-MHECFPHRSA-N 487.557 0.698 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)no1 1829631439 JXKWFMZTRXVFHO-RUZDIDTESA-N 495.536 0.674 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)cc1 1829898862 KMXVEIPNLHCKLZ-QFIPXVFZSA-N 468.470 0.362 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2ccc(C#N)cc2)CCO3)no1 1829902211 KZDVJPBCZORVBG-XMMPIXPASA-N 481.509 0.882 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)CC1 1830062747 AITHRXQACFLNGM-JOCHJYFZSA-N 450.536 0.861 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1831425457 ACWYREPEEVYFRJ-MHECFPHRSA-N 470.526 0.664 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1831999717 ALHLHMFEDBRBJD-JPYJTQIMSA-N 477.562 0.878 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1cccs1 1833031797 QWCFDDWMNZAIIQ-DEOSSOPVSA-N 489.594 0.633 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnc(OC)cn3)CC2)CC1 1833076022 LOCAPOBNABWZKM-PLNGDYQASA-N 456.547 0.529 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)CC2)CC1 1833464881 ARGACJHBRHEJNT-ZDUSSCGKSA-N 465.444 0.952 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834357659 UQBTUIIVRIZQPP-KKRXVXNVSA-N 450.467 0.820 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3C)CCO2)C1 1834430426 VANXJYLPTGESQW-YADARESESA-N 489.573 0.715 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(=O)(=O)c3ccc(C)cc3)CCO2)C1 1835185648 PBBMUWQDBJYAQG-GBXCKJPGSA-N 494.610 0.798 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4Cl)C3)C2)CC1 1835402973 XEYHXNNIZKHVPD-XMMPIXPASA-N 490.004 0.919 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1835675196 WORUJAVKCGUXBB-QHCPKHFHSA-N 458.563 0.640 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835768982 IHVRVNKOTHBQFA-CNQUNWPHSA-N 480.610 0.795 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835923776 DBZDRAPEYVBVDX-ZHRRBRCNSA-N 456.503 0.256 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nnc(Br)n3c1)CCO2 1836256882 XIRYGWVAQDVOJQ-FQEVSTJZSA-N 476.331 0.975 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c(C(F)(F)F)n1 1836322001 USSPNOVDQNEFPA-HXUWFJFHSA-N 478.431 0.939 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3cccnc3n1)CCO2 1836826731 ORCVOBPGFJRBNI-WEHRJKGCSA-N 465.510 0.558 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836983764 CQQHSHAMGBCAOJ-HSZRJFAPSA-N 454.531 0.686 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837073641 ASWYHNDVIKPKHA-XXGSHBOYSA-N 453.499 0.263 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4cc(C)on4)CCO3)C2)c1 1837549043 JWDVHYGNRCTJMO-DEOSSOPVSA-N 497.508 0.363 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c(O)n1 1837794246 KZMOOLOMBWPYHM-QFIPXVFZSA-N 486.485 0.921 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837822658 JYHWPCRVLOHWRT-KOSHJBKYSA-N 488.541 0.774 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(C)c1Cl)CCO2 1838310341 FZYPGODENBENGO-FQEVSTJZSA-N 454.911 0.653 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839209640 ZQPZYGADVBBWSO-KSFYIVLOSA-N 466.535 0.022 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)cc1 1839363403 TURHARZXXVXTSA-VWLOTQADSA-N 492.536 0.466 30 20 JCED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839423775 WBXBBNPIFCTIKX-OAQYLSRUSA-N 451.907 0.945 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)CO3)C2)C1 1839810005 YGQPQPGZQUKSLK-HRAATJIYSA-N 487.500 0.347 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1839881942 OPUVAKMYQKQNRH-YIGJPRQDSA-N 496.605 0.827 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)O)CCO2)NC(=O)OC(C)(C)C 1840030021 YFQXWGLCAALOBE-JKSBSHDWSA-N 455.552 0.683 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1840168668 XYOIOSSMIGDPJM-XMMPIXPASA-N 454.527 0.751 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840181379 YQNBYIBWFWTHEQ-DHIUTWEWSA-N 477.489 0.312 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)nn1 1840819965 QMXPPQBNNWQWAW-HSZRJFAPSA-N 467.482 0.506 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840900897 UXMLSHGORDMPFL-KBMIEXCESA-N 485.585 0.543 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1840945644 YKMUEFYJGLIHHO-OAQYLSRUSA-N 468.526 0.952 30 20 JCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CN3CCN(C(C)=O)CC3)C2)c(C#N)c1 1843974291 HLJKQDNISMLFFV-UHFFFAOYSA-N 453.543 0.477 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1846330617 JBNYQUIFBZZYCB-OAHLLOKOSA-N 456.565 0.822 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3[N+](=O)[O-])c(=O)n2C2CC2)CC1 505099781 VXZKHWVDFQUIRT-UHFFFAOYSA-N 453.524 0.820 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1C1CCN(C)CC1 517993254 XXDHVSJZENFAPY-UHFFFAOYSA-N 468.579 0.999 30 20 JCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c1=O 589160759 NHCZXERFLJRVOF-UHFFFAOYSA-N 453.611 0.947 30 20 JCED COc1cccc(NC(=O)CN(C)C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 748575923 KUWOLKHJDJHYDA-UHFFFAOYSA-N 474.495 0.374 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C1=O 779894319 FOXOGVJLGKJULA-UHFFFAOYSA-N 461.500 0.853 30 20 JCED C=CCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 916918774 PWPVWYCAXPFMJX-KRWDZBQOSA-N 466.947 0.964 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 917215331 QKAQQHVDOUOZPL-UHFFFAOYSA-N 462.553 0.826 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4nccn4)cc3)CC2)cc1 918313099 QBBVHIFVVJTBLK-UHFFFAOYSA-N 465.495 0.611 30 20 JCED CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 919473935 SCXRZHNBHLTXLL-KRWDZBQOSA-N 467.548 0.641 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)C1CCCCC1 1288869897 LNXFBJWSAYOZGT-GDBMZVCRSA-N 453.569 0.408 30 20 JCED C[C@@H]1CCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1291080774 UASLDABBCTVYST-SYNHAJSKSA-N 452.581 0.902 30 20 JCED CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1315066782 KJUBGJXXUKOZCV-SFHVURJKSA-N 459.576 0.920 30 20 JCED COCCN1C[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)CC1=O 1555571527 GPIXQJNPYVCQNB-JKSUJKDBSA-N 467.596 0.513 30 20 JCED CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1555813210 PYRMDLAUQYYSPW-UHFFFAOYSA-N 457.560 0.861 30 20 JCED CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1615089195 KWIRMGOLYUXIAD-MRXNPFEDSA-N 466.550 0.369 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1=O 1619927565 JICVVKOBNFTEGG-PKOBYXMFSA-N 472.571 0.935 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CC2)c1C#N 1638691885 SGGPROMNTFXLIY-UHFFFAOYSA-N 452.487 0.896 30 20 JCED CN(C)C(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1696587534 OPQQMYLPNNGCFM-DNVCBOLYSA-N 453.569 0.219 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@@H]1C 1698089221 ZHTRXWYWIAYYLC-KRWDZBQOSA-N 461.592 0.865 30 20 JCED CNC(=O)c1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c1 1711332686 PVXHDSOHEPOFOT-LAUBAEHRSA-N 491.549 0.461 30 20 JCED CS(=O)(=O)CC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CC1 1731000757 LTFHQFGOQHFFOZ-AWEZNQCLSA-N 464.573 0.823 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCN(C)C)CC1 1741134114 XLSCZFGPLCKOFN-ICSRJNTNSA-N 496.682 0.480 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCCCC1=O 1751227964 MSAGJBBTAXDDFS-FUHWJXTLSA-N 478.623 0.467 30 20 JCED C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1763269074 ISVOOZKWDUZAHC-HXOBKFHXSA-N 453.547 0.567 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(N4CCOCC4)n3)CCO2)C1 1778972016 SBOLESVJLTXRBJ-NTKDMRAZSA-N 458.559 0.935 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)C1 1779001870 JXZKEVRJCQPAJT-BXKMTCNYSA-N 473.526 0.997 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@H]3CNC(=O)C3)C4)c2c1 1781206978 LLDMTISEXJBKGW-OMXJDXKCSA-N 450.499 0.698 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1781394699 FRVJYPTXOITJBG-QRQCRPRQSA-N 472.502 0.923 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3c4c(nn3C)CCN(C(=O)OC(C)(C)C)C4)C2)C1 1782528887 HWIQCGZIFJYYLI-QHCPKHFHSA-N 457.531 0.790 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782809002 ODEQXQSPDOCYJB-TVPUMLRDSA-N 455.555 0.490 30 20 JCED CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782837695 NAEMSZPYYYNMNE-QPPBQGQZSA-N 471.510 0.855 30 20 JCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4csc5c4c(=O)n(C)c(=O)n5C)C[C@@H]32)C1 1783465322 TWKGUYANTXFCNV-WBAXXEDZSA-N 486.594 0.787 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(Br)cnn3C)C[C@@H]21 1784482266 JJGPTLJKKMSUTE-HOSILWTGSA-N 453.337 0.814 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1784494763 CFYAQRSWLCPAPC-UFYCRDLUSA-N 471.620 0.621 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1784854027 SKKQFUASPJPXMD-MUGJNUQGSA-N 493.601 0.766 30 20 JCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1785015178 JQIXYQVYMCEMNU-QAETUUGQSA-N 457.593 0.771 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)CC1 1785347229 OXJUWGZRDYRYNV-HSZRJFAPSA-N 461.563 0.673 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787089272 KSNPETWFTXYNBT-NXOAAHMSSA-N 463.539 0.122 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787089277 KSNPETWFTXYNBT-QAETUUGQSA-N 463.539 0.122 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cnc2ncccn12 1788004528 QFHOCODQGZBWLI-DYKZOPNRSA-N 456.503 0.852 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)[C@H]2C1 1788080092 FBJUAARGHWIKKE-DRMAHVMPSA-N 495.540 0.965 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C[C@@H]32)CC1 1788244914 OUSHFCXTYYLOQV-VABKMULXSA-N 467.570 0.245 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788604213 WXVMJHDTLUPBFV-MTAPDOHYSA-N 495.621 0.714 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1788639179 IBNGUJIBAIPOAL-CTXVOCDESA-N 455.508 0.262 30 20 JCED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccccc4)C[C@@H]32)cn2[nH]cnc(=O)c12 1789176428 HVHKWZVLBPMCGI-JBACZVJFSA-N 459.506 0.976 30 20 JCED C[C@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1789839725 BJZSSJQUMJGNSW-VJANTYMQSA-N 491.589 0.641 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1 1789972433 UZXUVFPTOJOUKM-SOWBTEIWSA-N 474.562 0.727 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1790175948 UJYDHKGEKUZDMC-ZVVDCOBXSA-N 457.527 0.861 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21)NC(=O)OC(C)(C)C 1792110692 NFIGENSEVBHTJC-JKEDJMADSA-N 478.590 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnc3[nH]ccc3c1)C2 1792490016 FGFSXAXDFOFFNC-HDLDZMILSA-N 451.527 0.944 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCCNC4=O)C3)cc1 1792556487 JAONKFFMVPORPP-OPMZPASUSA-N 462.510 0.334 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1793830106 MJGXPUFDSCAICP-RDGPPVDQSA-N 498.646 0.824 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)n1 1796719526 ANBLUCRNHWBXLG-NWLQOIJNSA-N 477.474 0.731 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)F)C2 1797669415 RWTYPJBHALTUIQ-LXTVHRRPSA-N 490.504 0.647 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797803694 MRJJCZWKSVWQOB-XPEFGHIFSA-N 496.605 0.086 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1802138629 NNULSJBCFCNHJC-FPVWDGRHSA-N 499.630 0.726 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)C2 1802158760 MODQIMRRKONQQS-QCSOTBIMSA-N 496.630 0.268 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2CCSCC2)[C@@H]1c1cccnc1 1802479770 YZSUSNREBPDROM-JCJKFKTASA-N 457.600 0.995 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@H](CNC(=O)C(O)O)[C@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1802929564 ZMBSBOGWTQYJMF-OKZBNKHCSA-N 460.531 0.964 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@@H]2c2cccnc2)c1 1806085083 YINKFASCVNXBSZ-JXFKEZNVSA-N 458.482 0.855 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810392822 OGXYCTSSSFGTHK-MHCHPIATSA-N 455.515 0.450 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)CNCP(=O)(O)O)[C@H]3c3cccnc3)c2c1 1812069745 KKPXOUYOOSYZPM-IERDGZPVSA-N 497.452 0.874 30 20 JCED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815669735 PVHRAEDGXVBXBM-WBVHZDCISA-N 453.565 0.723 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)CC2 1822918748 ZIMFTKOWSJEXSQ-STQMWFEESA-N 472.589 0.892 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824673601 LAQGFHNHDKIACO-NSHDSACASA-N 452.489 0.108 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCN2C(=O)OCc1ccccc1 1828982044 BRGYSOOPWPBZBY-XMMPIXPASA-N 468.558 0.855 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCN2C(=O)OCc2ccccc2)C1 1829232783 WSMHMOFDCDPLIU-HTAPYJJXSA-N 465.572 0.766 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1829260726 DSTZEOSLZYBRBP-RDPSFJRHSA-N 454.527 0.986 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1829765954 BDENPALBELJFFA-KSEXMQBYSA-N 453.499 0.491 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c1 1830461721 YGUJRCSOYPJQMG-XMMPIXPASA-N 450.495 0.894 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1831406472 QSQDZIYZBDAPBA-HSZRJFAPSA-N 452.596 0.063 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1831437952 INYAXHFKMQKVTD-HOYKHHGWSA-N 476.526 0.900 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1831997783 GCSSJDPXQIZPOJ-ZHRRBRCNSA-N 463.535 0.949 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1832005322 YRCUBZGMOPTLMY-VGOFRKELSA-N 466.535 0.382 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1832460922 JVMAKVUCEZUCHI-JOCHJYFZSA-N 463.604 0.708 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833396905 QWTIYPURRVSLBS-PXNSSMCTSA-N 471.601 0.510 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=N)N)CC2)CC1 1833610148 KZAZNEIAJMEHHK-GOSISDBHSA-N 479.626 0.510 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c(O)n1 1833699769 LNBMVLMNFZAOHZ-RPWUZVMVSA-N 491.541 0.592 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccon3)CCO2)C1 1834492873 SVQDLFYSXOIAIO-OPAMFIHVSA-N 462.503 0.661 30 20 JCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)CC3)CC2)CC1 1834599478 CLULCNUHNPSEMY-UHFFFAOYSA-N 460.560 0.327 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835769255 ONAJIOXHDMVYJC-ITSXBRTRSA-N 463.579 0.778 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cncn4)CCO3)C2)cc(C(F)(F)F)c1 1836138908 BWOIILRIUGQGDJ-HXUWFJFHSA-N 478.431 0.939 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1837428346 BNXKHPYBFOCAAU-VGOFRKELSA-N 478.622 0.092 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837487497 XZCLFSGPOMKIQB-VOIUYBSRSA-N 490.524 0.795 30 20 JCED COc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524261 DIYKEMAADKEAMS-DXLWNWQMSA-N 462.503 0.689 30 20 JCED Nc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cs1 1837527814 XEWYRKMHGNGRQA-BLINCGSOSA-N 453.521 0.324 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837743914 WZCINCVDOZYEPW-HQGJICSSSA-N 458.563 0.810 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)cc2C1 1838740485 NHDWEQBPZJXFGE-QHCPKHFHSA-N 467.530 0.302 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838741985 KPQKLYPORNCCKK-IXFSTUDKSA-N 458.515 0.936 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048408 VMZGQVVBRGTVNV-VWLOTQADSA-N 459.506 0.780 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)N1CCN(C)CC1 1839103139 GHXFQVWNWRCMAU-NTKDMRAZSA-N 455.559 0.264 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1839204041 FISVYRGCHXKJPD-HRAATJIYSA-N 491.532 0.930 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839212654 GAPNEVPOQSHFNF-GBXCKJPGSA-N 454.527 0.568 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1839227186 LUNKQIUPUCSXSG-SJKOYZFVSA-N 462.429 0.694 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839421748 JEFKRSAVJCGGKA-OAQYLSRUSA-N 463.535 0.251 30 20 JCED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1839886651 DEJRWZITSAIXIG-XMMPIXPASA-N 472.542 0.942 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1840164289 FCKJIIWKFWLCCE-IZZLDSCCSA-N 469.604 0.874 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)CCO2)C1 1840806401 WHMXEKKBRMEXOD-JTSKRJEESA-N 486.635 0.314 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840879716 ZROMHGQMEGFIFD-IMWIBFENSA-N 479.574 0.786 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1 1840908798 HDDCNSXJTJWGKE-UUOWRZLLSA-N 480.606 0.748 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2)C1 1840916127 ADEVKRONRJYHIJ-QZTZHPFYSA-N 499.605 0.698 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1847040990 GWMCEVNBKRRQOJ-INIZCTEOSA-N 479.578 0.928 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847057194 QRRYGPKEMQCQGV-AWEZNQCLSA-N 480.612 0.967 30 20 JCED N#Cc1ccc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)nc1 497484683 DDTSIESNAJYMGO-UHFFFAOYSA-N 479.566 0.480 30 20 JCED COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)c1 507534667 RLGQZAGRGNEIEK-UHFFFAOYSA-N 456.527 0.497 30 20 JCED C=CCN(C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)[C@H]1CCS(=O)(=O)C1 512098729 KRPKNKQXHYAISP-IBGZPJMESA-N 455.602 0.649 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CCN(C)CC1 518712557 GQNKNEGFWVBNSM-MRXNPFEDSA-N 482.606 0.766 30 20 JCED COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 609005576 PLNFDWDSBLDINA-UHFFFAOYSA-N 478.509 0.970 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 913173856 QRTACTYHFNRGJP-HOCLYGCPSA-N 471.557 0.194 30 20 JCED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 915778020 SJICNFODLLBIBC-UHFFFAOYSA-N 458.500 0.569 30 20 JCED CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)N1CCOCC1 918253651 XGIUGWPWYXIQLE-ZBCDYPQOSA-N 479.603 0.911 30 20 JCED N#CCCN(CCC#N)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919645590 BZXAAWIRKVESDV-INIZCTEOSA-N 474.495 0.823 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C(C)(C)C)s3)c(=O)n2CCOC)CC1 920394988 JHJYGGGWPIVOCS-UHFFFAOYSA-N 489.667 0.977 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCO1 1301903357 XQMKFRCEFJVCBK-IBGZPJMESA-N 473.559 0.194 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1503282144 JLXURHHZHZYSDT-UHFFFAOYSA-N 461.548 0.051 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1503405399 JDMMRXLHWNCWSW-DOTOQJQBSA-N 494.599 0.359 30 20 JCED CSC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCN(C)CC1 1505194020 YLFLMFWQAROSFX-CVEARBPZSA-N 454.622 0.736 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1555557859 FGRUMBLAWDPEOJ-INIZCTEOSA-N 452.581 0.996 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCN(C)C1 1608563354 IOPKYUWBVVSGMB-QHCPKHFHSA-N 470.553 0.820 30 20 JCED CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1614013442 SYRMBXWYJAWSED-JOCHJYFZSA-N 458.588 0.974 30 20 JCED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1614988778 ZHDWLGOTQRSLMU-UHFFFAOYSA-N 468.562 0.465 30 20 JCED CCNC(=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCC1 1615923828 NEFRIEZOCVZNAF-KRWDZBQOSA-N 479.607 0.657 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCS(C)(=O)=O 1692539320 KBDLLQDOQSRXFT-UHFFFAOYSA-N 459.576 0.655 30 20 JCED CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)N1CCCC1 1694363917 CMKMDKHUCVNLTQ-LMMKCTJWSA-N 464.640 0.939 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CCO1 1711368530 JFWWCVFNRAIEFO-LZFQIVBZSA-N 456.503 0.220 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C1 1741983401 JUTIVXRGXPQINE-SCLBCKFNSA-N 475.522 0.122 30 20 JCED CC[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1743488699 XVBMKTSGXJKHLN-LAUBAEHRSA-N 459.576 0.934 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1768267712 IBUHUFIURWDBIE-IAGOWNOFSA-N 464.596 0.077 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1770343800 OBKMBGBPDOTNFD-UHFFFAOYSA-N 487.586 0.537 30 20 JCED Cn1c(=O)c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nc2ccccc21 1779101855 RMTQTHCACDKVOX-IUALRXLNSA-N 483.525 0.906 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779140976 LURZKPFXQCWZEK-NYYQQGIOSA-N 491.545 0.297 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1779335537 MWCMRALQUVPRRF-DRSNIGMVSA-N 480.587 0.539 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)COCCO)C3)C2)ccc1Br 1781319744 DJERGOMTLUYAOW-LJQANCHMSA-N 452.305 0.773 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781349590 PMITZKGCISNITH-YVHKJVDXSA-N 453.536 0.130 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(C#N)ccc5F)C4)C3)CC2)CC1 1781965715 SWFGLLYUBIQQLE-QHCPKHFHSA-N 455.534 0.921 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783458258 LAOGHMYBGMGKBS-VXKWHMMOSA-N 467.494 0.644 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C[C@@H]21 1784482074 FGMMNHQFDZBIOS-SPOLIRPYSA-N 467.563 0.544 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784530790 GADQMXLAGXYLFH-VGOFRKELSA-N 462.551 0.968 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784596737 DFNOSEHOTUPXOK-MFSJNOQSSA-N 497.556 0.935 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@@H]32)c(O)n1 1785772787 RYFHCOAALMYSCW-FVCZOJIISA-N 494.614 0.827 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786369540 FJFSFWDLGVRCHA-NXOAAHMSSA-N 480.566 0.222 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cnn2ncccc12 1787376248 URAZRFXZSJBBLX-MSNCFCOSSA-N 456.503 0.852 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)n1 1788730873 UBUFFDUYSJQOSY-FHWLQOOXSA-N 472.590 0.548 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(OC)n(C)n3)[C@H]2C1 1789403241 HPWMUPBLMAJLBG-DWRORGKVSA-N 489.573 0.939 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)c(C#N)c1 1789839594 KNEFJLZLNWECLB-NYVOZVTQSA-N 456.543 0.421 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)C[C@@H]32)c1 1791985435 RYFDUIDBDUHLON-FCLVOEFKSA-N 453.499 0.459 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C3)C1 1792442603 RMNNNRPPBRIMOW-ZMMAXQRCSA-N 465.547 0.999 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3ccc(OC)nc13)C2 1792490240 QNLVUVIRUOFOFK-VQICEPBWSA-N 453.499 0.633 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccco1 1792519674 DGELUECZOWRKFA-LMCLKVLCSA-N 461.515 0.819 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793366640 QOOJDLQAUASGRP-AVEIZBFRSA-N 487.619 0.726 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(C)=O 1795335137 KAPKJMAXGRIDMK-YVSFHVDLSA-N 454.524 0.401 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1795601170 URZXNQHUWLUIMU-UFPSCSKOSA-N 465.554 0.768 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CCC(N)=O 1795975340 MQVNSONSTRXLRV-QEOTZNIISA-N 451.568 0.687 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)n[nH]2)C3)c(C(F)(F)F)n1 1795994862 GVUHLHCGAHJUQJ-KEODLESXSA-N 450.377 0.918 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)C1 1797743236 XEIQWZQCABCDRK-DSZPWCOXSA-N 493.605 0.420 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1797865198 VGRWAGQZLMKAHK-FCQWJQKHSA-N 481.940 0.890 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798494045 MLERPYSDHXJIKR-ABLQDVQDSA-N 458.519 0.762 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)OC(C)(C)C)C2 1799303815 BYSDSZFKWWOEFY-HGKCTWBKSA-N 453.536 0.952 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C1CCOCC1 1800778513 GCEBWIILOUPCSL-SUWCGCSTSA-N 493.557 0.374 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800988938 BMEQXHHWDLTEHK-XYFZXANASA-N 459.565 0.351 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)C1 1801983863 INCBSYYIWDRIFK-IPPNXFFKSA-N 462.547 0.642 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1801991861 BKTVPCXNEJROES-NHKMSHSESA-N 493.516 0.990 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1C(=O)C=CC1=O)C2 1804370875 VPRIFFVGTPPLEZ-MHORFTMASA-N 472.542 0.856 30 20 JCED N=C1NCCN1CC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1807115460 JHVZXQJLNGRHKH-KNQAVFIVSA-N 452.559 0.626 30 20 JCED Nc1n[nH]c(CCC(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)[C@@H]2c2cccnc2)n1 1810152127 ORHGMHWDNKQQAJ-DBLHYZKSSA-N 470.534 0.950 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1828580253 PDTXUXSYXJPGGH-NLFFAJNJSA-N 494.552 0.769 30 20 JCED CNC(=O)CC(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828922285 DQBMIQUDWBMCAT-HSZRJFAPSA-N 455.515 0.878 30 20 JCED CN(C)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828930019 RFRLABOOUMWAKD-DEOSSOPVSA-N 470.526 0.478 30 20 JCED C=C1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCN3C(=O)OCc2ccccc2)C1 1828968108 XZUIOXHGEVWYCM-LVXARBLLSA-N 497.596 0.998 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828970645 MSLOMEPRXMBAJZ-LLLIPYIGSA-N 498.646 0.866 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1829266469 WAWVVRYLUDEVQX-CYFREDJKSA-N 452.511 0.693 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)CCO2)C1 1829638339 YNRZPHAKUMJVDI-GOHWNWGWSA-N 499.564 0.543 30 20 JCED CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1829895616 BLWADAACNXFDCV-XMMPIXPASA-N 456.543 0.735 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829903000 ANUUQDBHQMBZKX-DEOSSOPVSA-N 467.526 0.714 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)cc1 1829904587 QSUMETYCGHCMOP-XMMPIXPASA-N 460.494 0.914 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC(=O)OC(C)(C)C)C2)C1 1831388797 XRGSNRGKPSXPJE-JPYJTQIMSA-N 452.548 0.993 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])c(O)cc3C)C2)C1 1831398764 KISBPWSPPRGGNY-AOMKIAJQSA-N 461.471 0.717 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833429362 LNFPPPZCJZGNPE-JOCHJYFZSA-N 454.575 0.442 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](S)C(C)C)CC2)CC1 1833449374 XAKZMQBTTAEQTQ-QAPCUYQASA-N 462.682 0.840 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1 1834716699 NUCJGSJVJKDIOJ-UHFFFAOYSA-N 471.562 0.642 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CC1 1835403112 BQKNJIDLMWNQHP-JVPDDCAZSA-N 490.626 0.581 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836138136 ZCOHWWMLMWXHJA-MBSDFSHPSA-N 492.577 0.594 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1836470185 JDBZVIAHDGPCBR-WZONZLPQSA-N 461.515 0.496 30 20 JCED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c(C(F)F)n1 1837528179 ABNAXYNQHGBGGY-XRVYENPVSA-N 485.488 0.957 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837676466 LCFHKQJQRPKWOE-BXKMTCNYSA-N 472.542 0.942 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]c5c4CCc4ncccc4-5)CCO3)C2)CC1 1838481430 HRZIHJZSKJCJBX-XMMPIXPASA-N 462.510 0.944 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838626190 LSBHDHXTJRFSHS-NYHFZMIOSA-N 477.470 0.985 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839080744 IIINBMHZNNKQGV-JXOCDABTSA-N 453.605 0.798 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)N1CCN(C)CC1 1839103721 VQHGUSHJHUEUPS-AVRWGWEMSA-N 495.584 0.140 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839133267 IMZWWRDMFUVBFK-RDGATRHJSA-N 486.569 0.871 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1839166065 FFAGNOSIAYIIBB-YVHKJVDXSA-N 468.551 0.047 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839190870 INGOVOVKBQVISP-FGZHOGPDSA-N 453.536 0.703 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c1 1839452658 PDVQEWGHTNXWID-WRAFWBCBSA-N 452.511 0.772 30 20 JCED CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1839642497 QZJRYEVHYMWEDI-MHECFPHRSA-N 458.559 0.906 30 20 JCED COc1ccccc1CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839954266 YFUBDLGCMLSNLC-XMMPIXPASA-N 458.559 0.976 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1840026382 ITHQRYFKRMAXSC-DRMXPCRNSA-N 475.542 0.695 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3[nH]nc4c(Cl)cccc34)C2)C1 1840043261 OEQNBXVREBPQKP-OAQYLSRUSA-N 460.874 0.303 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840043775 UEVRTCPUIIMKOT-SBUREZEXSA-N 479.530 0.178 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1ccc(C)cc1)CCO2 1840097037 SZGGXQLIJQJXGI-HMLKYZKVSA-N 455.511 0.493 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1840108258 JPBJCRQHDPVDLC-PMAPCBKXSA-N 467.563 0.949 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CCO3)C2)C1 1840112010 VJONJMOXGRVIHS-HOYKHHGWSA-N 495.573 0.865 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840424342 JCEOKKPYXWEGJI-FDDCHVKYSA-N 459.547 0.587 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C(=O)OCC)CC3)CCO2)C1 1840816904 VWZDTPWRKIDTKJ-FDDCHVKYSA-N 467.563 0.902 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819768 DMTHPZZRJKQAKW-UUOWRZLLSA-N 480.525 0.684 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1840844561 BXXTZTKIVSXPJO-UZUQRXQVSA-N 481.546 0.313 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1840853083 DAILVICIIVMBJO-URXFXBBRSA-N 472.542 0.942 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1840907433 VDAVFJWUSBKATG-BTYIYWSLSA-N 479.559 0.525 30 20 JCED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1846256890 HSWAPVHLLOJFCU-OEAKJJBVSA-N 451.520 0.598 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCCOCCNC(=O)OC(C)(C)C 1847642784 QVAQYVBRMASBIJ-FHWLQOOXSA-N 467.563 0.784 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc1 501170685 CFWKKJLMVAJPJT-UHFFFAOYSA-N 455.536 0.632 30 20 JCED N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 514367841 BQUAFSXXASTAMJ-KRWDZBQOSA-N 455.378 0.888 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 522540654 YMDKNXDNEOOLHC-UHFFFAOYSA-N 483.575 0.282 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(Cl)c4c(c3)OCCO4)c2=O)cn1 523573151 FZGUDAIOAHEGNC-UHFFFAOYSA-N 471.926 0.789 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1CCc1ccccn1 523581438 WRDDSLWTHHARQZ-UHFFFAOYSA-N 489.601 0.499 30 20 JCED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1 608912410 LZQOPORNQOWURR-UHFFFAOYSA-N 488.635 0.638 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)CC1 728535124 ZZQHCDBYSCIDTM-UHFFFAOYSA-N 459.591 0.797 30 20 JCED Cn1cc(/C=C2\CN(c3ccccc3)C/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 747317578 YLUYXDWHOLXYER-OTYYAQKOSA-N 475.505 0.038 30 20 JCED NC(=O)c1cccnc1N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 751387898 HXPFYLAIUPLYDC-UHFFFAOYSA-N 456.528 0.348 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)CC2)o1 915377921 HTULLJVBPDPYFW-DEOSSOPVSA-N 492.492 0.440 30 20 JCED Cc1c(NC(=O)[C@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c(=O)n(-c2ccccc2)n1C 916962065 YIDMJOYFBYDWIC-MRXNPFEDSA-N 487.476 0.391 30 20 JCED N#C[C@H](C(=O)Cn1nnc2ccccc2c1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917011733 RXNFSDNVPSGZHH-GOSISDBHSA-N 461.438 0.757 30 20 JCED C=CCc1cc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc(OC)c1OC 919818621 LSAMGQFMTCYQIU-KRWDZBQOSA-N 472.585 0.707 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1293218975 SUEOJJFBAABRLK-SJLPKXTDSA-N 457.560 0.813 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1297778549 XVOWIUAMSZBTHN-IBGZPJMESA-N 473.603 0.915 30 20 JCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 1308996465 MAJVYGOECVNNPB-ZDUSSCGKSA-N 453.464 0.891 30 20 JCED CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1517631199 QQUUSOFYDPGSIC-OAHLLOKOSA-N 459.580 0.862 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1541935767 SEBHSBOAVLATEA-YOEHRIQHSA-N 458.610 0.843 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)NCC3CCN(S(=O)(=O)C(F)F)CC3)CC2)c1C#N 1684555843 NOEJPPZLIRAUJS-UHFFFAOYSA-N 459.523 0.696 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1692574686 ZUIUMSRERSDJCF-UHFFFAOYSA-N 475.575 0.440 30 20 JCED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1693747262 LSQNDYFXDOYAQC-NVXWUHKLSA-N 458.544 0.830 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1696630953 KBOZJZMPVXBNIE-MRXNPFEDSA-N 452.562 0.331 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749251734 INYYNGXDBZVTLB-LSDHHAIUSA-N 462.020 0.678 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(N3CCOCC3)n2)C1 1778269444 XWSCRDCFFZCPQP-WZONZLPQSA-N 456.499 0.134 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)NC(=O)OCC)C3)C2)N(C(=O)OC(C)(C)C)C1 1778789243 APXLCIPYGYRIHM-YGKZAACZSA-N 496.561 0.446 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1779420659 ZGUUHILVWITFSH-LVRFMGPBSA-N 478.506 0.834 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1779470347 KGKGBLIKIWIRPH-RGZWJVDOSA-N 485.589 0.391 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1781187248 DSPUSVYQFNUMMV-AOMKIAJQSA-N 466.535 0.967 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1781290157 FTSONWLEYJFGES-BTYIYWSLSA-N 452.556 0.159 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)ccc1Br 1781906010 FXTYABZEAVXTMB-YWZLYKJASA-N 461.316 0.900 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782808999 ODEQXQSPDOCYJB-AXJZPPOTSA-N 455.555 0.490 30 20 JCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1)C(F)(F)F 1782872933 DOBQXPAGVPWXIF-KSMMKXTCSA-N 490.504 0.115 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c3ccc(Br)cc3c1=O)CCO2 1783564672 BMMCEBSNODMSNP-NRFANRHFSA-N 488.294 0.822 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785541008 PQCDEOQBFLUMSK-ZKSMDFIPSA-N 450.542 0.389 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785608881 COTKISHYNMAXJU-QMHKHESXSA-N 496.561 0.094 30 20 JCED Cc1nn(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)c1F 1785777123 OBJGMSVTUWRXMH-HHKMWVHKSA-N 451.499 0.990 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)OC(=O)NC(C)C)[C@H]2C1 1789751493 UCFLEFDTRPSXBH-QJFPOAGESA-N 464.563 0.738 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790583635 BOJZRKKOXIGVCC-BJLQDIEVSA-N 451.483 0.174 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792897436 KNPGNEAUMIERDW-RDGPPVDQSA-N 472.542 0.943 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793052323 NBJHDGXTIZUXEZ-KQZHTCIUSA-N 483.565 0.764 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794228450 DQMSWHAYXHSTRB-RCLSDMTESA-N 482.541 0.889 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(cnn2C)c1OCC 1796069803 KQODROWZSSAXJY-IBRLJDPESA-N 482.541 0.429 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOC1=O 1797170092 DVWUCMMFLWAZGK-SFNKJDCFSA-N 478.546 0.335 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)C2 1800987220 BVKOEFSZXYRGEB-VXIBKDFQSA-N 489.635 0.842 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2)c1ccc(O)cc1 1801054081 BGTGTJVGJKLBJD-HULNYRCFSA-N 455.555 0.811 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1802138609 LQJRNQGKIWQXKB-GAATZLIZSA-N 464.563 0.557 30 20 JCED COc1cc(N2CCC(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)CC2)ncn1 1803297691 QEIGFUXVFWJHFH-NTKDMRAZSA-N 492.536 0.891 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1807945082 BQDMGTZTILLINR-IIBYNOLFSA-N 499.491 0.721 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c2ccccc21 1812877606 NJHLTNOWAJTOFZ-HXOBKFHXSA-N 461.478 0.529 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1814063557 KQVLONAZMFAADB-NKKJXINNSA-N 479.537 0.689 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1826892621 NDHKCXJJGDIPPD-GOSISDBHSA-N 468.562 0.933 30 20 JCED N=C1NCCN1CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828572356 PUVRYFQPXYTSGH-SANMLTNESA-N 492.580 0.692 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)n(C)n1)CCN2C(=O)OCc1ccccc1 1828646027 CSURJKLDBYVTNC-QHCPKHFHSA-N 451.483 0.825 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1829460617 UPDCKBIKPHGPLB-RUZDIDTESA-N 495.536 0.404 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c1 1830461720 YGUJRCSOYPJQMG-DEOSSOPVSA-N 450.495 0.894 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831037963 AUSIKSHQNZEBHP-UZUQRXQVSA-N 485.578 0.921 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CC(=O)N(Cc5ccccc5)C4)CCO3)C2)CC1 1831111228 AWWBXJDLKHXDSR-NLFFAJNJSA-N 466.538 0.795 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1831397922 ZYGJOZMSMYNSII-GKVSMKOHSA-N 479.537 0.679 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1831424426 IVNATYSAMGSZIK-IXFSTUDKSA-N 484.594 0.276 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c(O)n1 1831565832 YYKNCYMOURTXGG-HTAPYJJXSA-N 460.487 0.084 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)N3CCCC3)CC2)CC1 1833073987 WMRWRURNHPVJHK-WAYWQWQTSA-N 473.618 0.819 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnc4ncccn34)CC2)CC1 1833074885 HYFRRBSXXUFGDU-PLNGDYQASA-N 465.558 0.773 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835703964 DHGFFYLLUDRXSB-GOSISDBHSA-N 488.589 0.351 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380791 GFLZKOWAULZERS-VGOFRKELSA-N 465.572 0.908 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4ncccn4n2)CCO3)cc1 1836866942 RGSLPDVOIKGXPB-DEOSSOPVSA-N 460.494 0.914 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cn4cccnc4n2)CCO3)c(C#N)c1 1836892748 APAHLMGAEAVTLI-VWLOTQADSA-N 490.520 0.922 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837108235 VGLZEQJLJWMLNF-IYZQMXKPSA-N 453.499 0.263 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1837401207 VMUBTRUHEUWYKZ-CPJSRVTESA-N 490.553 0.479 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1837441140 UMMQQNGWWFXSAG-OBLSJGNOSA-N 450.580 0.713 30 20 JCED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)c2n1 1837443395 IQIOKOUJXAFWQK-FYWXSZBBSA-N 483.573 0.888 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527028 INDUHRWFHWAGHS-POSBYCEFSA-N 475.546 0.867 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c(O)c1 1837531779 WRLRVEHFHQUWJI-HEXBWUFUSA-N 477.514 1.000 30 20 JCED O=C1Cc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)ccc2N1 1837562717 DNAXHGQXJQNHOA-YGYQLRJYSA-N 466.494 0.963 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)cc1 1837797572 VQACSAUGPQMRBO-OAQYLSRUSA-N 454.443 0.768 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Br)c1)CCO2 1837811695 GJVDMDGZKZETMW-GOSISDBHSA-N 452.261 0.002 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837968491 AYZYUJXXOFSEHU-KQKDOZOKSA-N 451.476 0.371 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1838356929 GXMHNSFREYZNIG-LJQANCHMSA-N 469.535 0.559 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccc(F)cc1 1839037313 GJMWFLXQXRBISP-UPVQGACJSA-N 457.502 0.873 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)CCO2 1839074976 OFZMJYIRQYUPOL-PNCHPQGNSA-N 467.563 0.737 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1839185367 XSASAODMSZFOHY-HJPURHCSSA-N 493.561 0.178 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n1 1839187105 KGKZMIQRAMHGCI-DEOSSOPVSA-N 485.516 0.853 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839224489 KGFKHPHZIMFKGG-KKSFZXQISA-N 465.507 0.569 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(=O)OCC)cc1)CCO2 1839443327 AZHLGJZRICLIHF-JRUKXMRZSA-N 485.537 0.792 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(-c4cccc(=O)n4CC)n3)C2)C1 1839808356 ZCQNCGYXUDXSAU-QHCPKHFHSA-N 453.499 0.066 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810847 VELKASAICLWXBE-KBVWPGPTSA-N 461.559 0.969 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)cn3)C2)C1 1840042502 XWTRXLGSAAAWCO-SFHVURJKSA-N 452.261 0.002 30 20 JCED CN(C)[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(Cl)cc1 1840044570 MEJAENDLGJCWCB-IFMALSPDSA-N 463.918 0.487 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1Cl 1840230737 SPUUIQAZMXYOOX-OYHNWAKOSA-N 460.918 0.808 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(NC(C)=O)cc1)CCO2 1840725650 CYDWYGSSEZUHKQ-HMLKYZKVSA-N 470.526 0.573 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1)NC(=O)OC(C)(C)C 1840795456 JGBXUMLCFBEXOI-FDDCHVKYSA-N 485.578 0.311 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1)NC(=O)OC(C)(C)C 1840796015 NYNYONZYMZJFTE-UZUQRXQVSA-N 482.578 0.391 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1840907251 SHFLYAOTIJWTBE-GSHUGGBRSA-N 453.536 0.130 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1840913565 GBQRLODSGWMAEQ-ZGNKEGEESA-N 480.562 0.178 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1841602562 BAAFHAVYSQOELT-OAHLLOKOSA-N 483.529 0.368 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)(n2ccnc2)C1 1846196721 HPPBSVILYRXYBD-HSZRJFAPSA-N 471.514 0.511 30 20 JCED C=CCNC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 12046328 PFSLYNRITFVPGM-UHFFFAOYSA-N 450.517 0.372 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(C)c3)c(=O)n2CCCC(=O)OC)CC1 501765951 NQSNFTIWEKMVCF-UHFFFAOYSA-N 482.606 0.839 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1=O 504729370 JRSKUJIUXPNVND-UHFFFAOYSA-N 462.528 0.620 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccnc3-n3cccn3)CC2)cc1 516403923 PAOPNQOXHSQNKM-UHFFFAOYSA-N 465.495 0.611 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2-c2cnn(CC)c2)CC1 522387461 PRWVBJCMJGVKLD-UHFFFAOYSA-N 463.567 0.178 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O 524281888 FHQIQMYBTJUOAC-UHFFFAOYSA-N 466.441 0.419 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1CCc1cccs1 524337744 SVKAQGWDNAKPQI-UHFFFAOYSA-N 484.603 0.758 30 20 JCED CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cc1 603795909 OAHDVYWTUXMXMC-UHFFFAOYSA-N 454.552 0.886 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCCC(=O)OC 604118923 XHJFMIGRNMBPPI-UHFFFAOYSA-N 489.575 0.072 30 20 JCED CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 604218994 RKMBGRICXMWYPH-UHFFFAOYSA-N 472.527 0.961 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC(=O)N(C)C)c2=O)c1 604270250 JHQFEJROONSTDE-UHFFFAOYSA-N 472.567 0.052 30 20 JCED CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)N2CCN(CC)CC2)n(CC(N)=O)c1=O 608911347 BGESHHSQVQZBOX-UHFFFAOYSA-N 493.589 0.371 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3csc(C)n3)c2=O)c1 726580081 JOVONYDQVNYQIJ-UHFFFAOYSA-N 450.545 0.911 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 728570959 QJSFWFYDVOQDRL-LJQANCHMSA-N 466.586 0.723 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cn1 729030439 ILYYDHQPKSBOCE-UHFFFAOYSA-N 471.491 0.524 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cccc2Cl)c1=O 729673124 TXPFYZUNPUGHEJ-UHFFFAOYSA-N 499.973 0.109 30 20 JCED COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)CNS(=O)(=O)c1ccccc1C#N 748862280 DUZCGEBBKALSAB-SXGWCWSVSA-N 453.498 0.360 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912685289 CFPDYIWDXKHWIO-XOBRGWDASA-N 450.517 0.407 30 20 JCED CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 913242609 IIVQDZSRGGAWMH-HOCLYGCPSA-N 451.501 0.570 30 20 JCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)C[C@H](C)O1 915785278 YZFCHSOFCPMKRF-HOTGVXAUSA-N 486.554 0.918 30 20 JCED N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 918292127 AVHVXDSCNSGNQF-UHFFFAOYSA-N 473.467 0.969 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)ccc1F 918582699 UJQARAHVDKLLLY-UHFFFAOYSA-N 485.515 0.994 30 20 JCED C[C@H](NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)C 918911360 SYHXNGOTXVNSAG-AWEZNQCLSA-N 450.517 0.095 30 20 JCED COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)c1 1184910591 XIIWFAIRGVHIDR-LBPRGKRZSA-N 450.564 0.177 30 20 JCED CC(=O)N1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1301771572 VUGYIOXKWLKRQJ-GHTZIAJQSA-N 463.608 0.474 30 20 JCED CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1314390013 JARQYOYYQFWAMB-NRFANRHFSA-N 460.560 0.562 30 20 JCED CN(C)CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1314669243 YQAKDWHFIWZGFK-MOPGFXCFSA-N 474.587 0.898 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1315072667 RSTGTEUPILIJAH-MOPGFXCFSA-N 476.559 0.662 30 20 JCED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 1503679289 JMGJWQMCKHWATB-JOCHJYFZSA-N 474.587 0.809 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1512583157 QFILWRMOESLKHJ-XWFZLUIHSA-N 490.586 0.659 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)CC2)c1C#N 1523175430 MXZXSZZSXCJPQS-UHFFFAOYSA-N 456.572 0.793 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 1690867948 MQRGVHOCBUFZJB-HXUWFJFHSA-N 450.547 0.683 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NC)CC1 1705687826 KGXJKXWECYLUQD-CQSZACIVSA-N 491.412 0.482 30 20 JCED COCCN(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712420047 XBSGDQLOMSTXHE-PKOBYXMFSA-N 465.624 0.325 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2c(F)cccc2F)C1 1712706585 NGVYHEBDFOQVDQ-KDOFPFPSSA-N 482.513 0.861 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1729739355 KENPVSPMAAHMAE-UHFFFAOYSA-N 487.586 0.441 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1=O 1730799575 RCCOSCOJFNAARX-QFIPXVFZSA-N 456.503 0.175 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCCCCC1=O 1741940539 KURJRGYXJUVHFR-MJGOQNOKSA-N 492.650 0.858 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CC1 1767215241 LFTAXHRQNZVDEX-QFIPXVFZSA-N 480.617 0.922 30 20 JCED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1767823107 JUAFTTCMKPPMES-KRWDZBQOSA-N 472.575 0.560 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2CC2)C3)CC1 1778752795 JPDCKZBHWFYXLL-DENIHFKCSA-N 451.589 0.585 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016345 SDQZYBONOUFGAW-SGCYSOCQSA-N 477.587 0.541 30 20 JCED Cc1c(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn2[nH]cnc(=O)c12 1780019827 OHTRLWFBVYGSFL-QFIPXVFZSA-N 455.519 0.056 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OCC)C2 1780738612 RYTUDVPZRCBBCT-FYINFDKHSA-N 455.508 0.074 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1782469140 CEYKMNRLMOBGAJ-DNVFCKCGSA-N 456.547 0.665 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1783181193 GPJSFFKJTLPSPD-QSAZIKIQSA-N 464.563 0.907 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)[C@H](O)C1 1783478897 VDEZWCTVYDTACM-TXTZMMAHSA-N 450.536 0.498 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccc(C)cc3)C[C@@H]21 1783535288 GXPFNBMFBOULAK-LEBGWRHOSA-N 468.554 0.563 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1)C(C)C 1783899740 DWVYMGZZBMNCQZ-VLMPBXDWSA-N 484.619 0.506 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncnn3C)C[C@@H]21 1784787084 VDTDXDZOHSXKLX-NXOAAHMSSA-N 462.551 0.878 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)C1 1785592757 HZAUFHUGWHZHLB-MBKAAHDRSA-N 499.630 0.966 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786370170 JARHITCEULQJRF-FHWLQOOXSA-N 482.578 0.828 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1786560090 JMTAIQHWCFJQMB-OBUPLIBYSA-N 454.552 0.820 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccc(C(F)(F)F)cn4n3)[C@H]2C1 1787178907 WCQLXMZWLYAAHB-UBHSHLNASA-N 465.388 0.429 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(C)=O)C[C@@H]21 1788544351 YQCRAYIDLQHOKP-FJIDUMEYSA-N 468.551 0.792 30 20 JCED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)nn1C 1789403218 FGGLVBHIEXQQIC-ZWOKBUDYSA-N 453.499 0.973 30 20 JCED C[C@H]1[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CCN1C(=O)OC(C)(C)C 1791079269 ARPCWJWUTCJBAH-JCECYMMASA-N 463.531 0.700 30 20 JCED COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145313 TYLPMWQMSRFLRT-ZWOKBUDYSA-N 453.499 0.973 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1792838172 QHNIRZFFSLNVQH-YNVMFWSZSA-N 450.944 0.858 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793165537 SKNOOQUQZWNKHT-SFNKJDCFSA-N 480.562 0.888 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O)c1ccccc1 1793834830 DHYBXAUOHOJBEN-WEMPKCCASA-N 452.511 0.325 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCc3nc(O)nc(O)c3C2)c1 1794112328 PWPNJRBZGASCQC-REGYPHIPSA-N 463.494 0.768 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795645571 MUYFUQVAQSGHLA-STEXWYFWSA-N 494.589 0.336 30 20 JCED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1800337186 JYUBBOPWPITMIN-VBRUWADQSA-N 492.642 0.749 30 20 JCED C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1ccccc1C#N)NC(=O)OC(C)(C)C)C2 1800746742 DOCZWUMOBNCUSZ-DRYZZIBHSA-N 486.569 0.964 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)C1 1801051861 RQBASQLKKOJYMX-JEZSTIGHSA-N 450.536 0.498 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C2 1802124758 IVICBEQUSXHDMM-RHQZKXFESA-N 464.563 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)NCC)C2 1802125664 MUCUBMFLUCDLKU-DFBDCSAJSA-N 479.578 0.200 30 20 JCED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1813039727 AETUCTUYHGEIKS-LNSZTPPCSA-N 491.639 0.586 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399634 DCDMXBDEGYFGTC-RHSMWYFYSA-N 458.523 0.847 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1828579895 JOWFAQSPABVBBS-CLOONOSVSA-N 484.553 0.613 30 20 JCED CC(C)[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=N)N)C2)C1 1828585494 WFLAELLWLGVDAD-WMZHIEFXSA-N 490.630 0.876 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1828808129 KTWGLXOZMWUCLH-DEOSSOPVSA-N 491.508 0.555 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1829262750 ZOOZYQAAMLRBHX-XMMPIXPASA-N 477.477 0.874 30 20 JCED CCN(C)[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829335135 WRAXQBKPXAQFJK-DFBJGRDBSA-N 484.553 0.867 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCN2C(=O)OCc1ccccc1 1829396026 CBJKOLDVGMIBEE-VGSWGCGISA-N 451.487 0.319 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628582 QMCMONKLDJIBJS-WZONZLPQSA-N 492.598 0.275 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(=O)OC(C)(C)C)C2)C1 1829773371 IFBLUUXTQZPDRP-FTVUIBSFSA-N 494.589 0.605 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829901210 XTLZWWLKQZMFAS-QHCPKHFHSA-N 451.483 0.670 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1830026814 QYRCDPUCHLCDSE-SBUREZEXSA-N 467.563 0.949 30 20 JCED NC(=O)c1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465467 IAUUNJIUCGEJQG-XMMPIXPASA-N 482.924 0.956 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]3C[C@H]3N1C(=O)OC(C)(C)C)CCO2 1830748436 NDUMCWJFQAKLRU-PPYVPILRSA-N 491.585 0.879 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)[C@@H](O)C1 1831218416 SLVXUGFDIFHSLT-JXQFQVJHSA-N 477.558 0.084 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)C1 1831396944 MUTNJNDQDDVVHM-SRGWNRLKSA-N 471.510 0.514 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1831485488 VPTNPUMMUHQWJN-ABAIWWIYSA-N 460.446 0.752 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)no1 1831486387 CMPRNUWVLJYHHY-ICSRJNTNSA-N 454.549 0.722 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1832000801 XKOAGPDEUAMMJK-JPYJTQIMSA-N 492.577 0.594 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835133294 YLGZWDVXABMSTP-QHCPKHFHSA-N 451.564 0.828 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(N5C(=O)C=CC5=O)cc4)C3)C2)CC1 1835349734 UITQBFRYBDJORP-XMMPIXPASA-N 464.478 0.490 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1835672708 INKPWIDHUZJXAC-VWLOTQADSA-N 493.568 0.890 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1835673982 CIEKNFDYWDZXHF-FQEVSTJZSA-N 484.479 0.847 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835767566 DSEOHVZOJOBLDU-ITSXBRTRSA-N 465.595 0.954 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836449809 OFDKKSMKGUOMHJ-XMMPIXPASA-N 467.526 0.727 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837016493 ZPLIYDFTHNHFOC-XUHCNCODSA-N 455.519 0.271 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837211425 MVIDMYZKTJWLOT-AVRDEDQJSA-N 460.487 0.001 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1837393349 PLQQUPITNMMLIJ-SJKOYZFVSA-N 470.416 0.371 30 20 JCED CN(CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(=O)c1ccccc1 1837486596 KMSRSVBDHUXNQU-HHHXNRCGSA-N 497.592 0.914 30 20 JCED CC(C)c1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)no1 1837488323 AKWLUQCVGKSMTE-XMMPIXPASA-N 474.558 0.891 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493468 GQWOTFMAOASCDB-YPCDYVTLSA-N 488.581 0.897 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837529110 PRZZRKYXHZFJGB-AHAYYNSTSA-N 472.502 0.328 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncon4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1838322137 DIUXHMLSBQITET-AOMKIAJQSA-N 477.518 0.705 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(OC)nn2)CCO3)c(C#N)c1 1838352245 FWYOGFCWSABPSR-DEOSSOPVSA-N 481.509 0.678 30 20 JCED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131487 HHEAAWLFTDSHLG-VXWZWFMZSA-N 459.543 0.973 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839207468 XVGKJUDFGUJINZ-AGKWGAAGSA-N 457.369 0.842 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1839209078 NHZNXMMCFYVCBC-NTKDMRAZSA-N 499.605 0.701 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)c(O)cc3O)CCO2)C1 1839251344 QXVBVXHLJZIAGL-SPLOXXLWSA-N 452.891 0.860 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)[C@H]2OCC[C@H]21 1840038515 WOZFZNLMMQWHOF-MUCNXURCSA-N 478.546 0.381 30 20 JCED CC(C)N(CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(=O)OC(C)(C)C 1840040512 PBUGMSCULVPATQ-QFIPXVFZSA-N 467.519 0.176 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1840059354 DDXUYEDRXVWUPX-IMWIBFENSA-N 479.574 0.617 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840071725 GPFXATSIGMEXRN-WQTXXOFMSA-N 466.535 0.117 30 20 JCED CC[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110418 KVRRIEZZXZDMKI-DMPWYTOCSA-N 489.635 0.815 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c(Cl)c1 1840234504 YETXIZVWILJSFY-AOMKIAJQSA-N 460.918 0.808 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840488468 MOJQROYVDIHQSS-VXFGQUIQSA-N 499.568 0.863 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609985 LSMKGZPWSIGGFN-NRVLJVOLSA-N 477.558 0.252 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)CCO2)C1 1840790080 RHBAAWLODZPAIK-KSFYIVLOSA-N 498.985 0.852 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC)C2)C1 1840912735 OCVUADVOSGHDFL-MCJPXMOYSA-N 480.606 0.910 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C1 1841232430 QFASBQYXLKHNRR-DYJNRGOWSA-N 469.604 0.890 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841234267 KRYGTTYCIAYEKP-KRWDZBQOSA-N 458.515 0.508 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843085255 UWRKRHGCBXYXIH-IBGZPJMESA-N 494.556 0.884 30 20 JCED CS(=O)(=O)N1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 109047079 RYTUNXWTUWYWNK-QGZVFWFLSA-N 454.574 0.499 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3OC)CC2)sc(=Cc2ccnn2C)c1=O 502016116 NXYJVNXOWNHCFB-UHFFFAOYSA-N 490.589 0.690 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C1CC1 515628118 RJUCGLWFSCBVNQ-UHFFFAOYSA-N 475.552 0.166 30 20 JCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 517131961 LVJXDFIZOIHCEG-UHFFFAOYSA-N 463.498 0.033 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 517983662 KAOYWNHOULHLDN-UHFFFAOYSA-N 489.460 0.220 30 20 JCED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 521117629 ADVKBHRZGHXZIX-UHFFFAOYSA-N 481.534 0.832 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2C)c1=O 523476330 ADLDCUVEOMMWKQ-UHFFFAOYSA-N 470.595 0.206 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 727671030 NJGMPGVBVVQTQN-UHFFFAOYSA-N 491.591 0.972 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)n(CC)c2C)c1=O 728557162 GGMQYHUPTYAKNH-UHFFFAOYSA-N 471.627 0.710 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 728571035 UMOCYUNWOPYGLO-UHFFFAOYSA-N 451.493 0.721 30 20 JCED NC(=O)C1CCN(c2ncccc2CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 729376640 SXLSOVZHGOQGAN-UHFFFAOYSA-N 484.582 0.918 30 20 JCED C#CCNC(=O)C1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 747818500 TUIDVFXXCZSRDQ-QGOAFFKASA-N 455.540 0.696 30 20 JCED CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918261141 OYVMOIUBRXVMLY-OTMWDORNSA-N 478.619 0.580 30 20 JCED COc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 1210758854 MOIDBZBUFGIOES-ZDUSSCGKSA-N 450.970 0.991 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 1450451907 KBBCSNVAFKRIDJ-QGZVFWFLSA-N 457.512 0.613 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507868844 PEMMUXIQMAWVSW-CHWSQXEVSA-N 455.990 0.233 30 20 JCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1=O 1517418393 NDZMCYLKXVQMCQ-UHFFFAOYSA-N 451.409 0.686 30 20 JCED CC(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1607001984 IBRQMPDWZSAKDV-ZWKOTPCHSA-N 451.597 0.834 30 20 JCED CC[S@@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1617405496 AXZMPPILIXMGRV-IBADJEFMSA-N 497.622 0.994 30 20 JCED CN1CC[C@@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)C1 1618466194 KVRLJAXILDDBSK-KNQAVFIVSA-N 489.602 0.186 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1([S@@](C)=O)CC1 1692796142 MGHFLLPKNDGBDM-BBFFTDKLSA-N 492.631 0.393 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOC2=O)c1 1729343334 YJIQIMWUNBMBNS-QGZVFWFLSA-N 489.558 0.766 30 20 JCED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1750206600 JJBMBMKNZRXGEF-LJQANCHMSA-N 474.587 0.932 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccnc1N1CCOCC1 1751199406 JQMPQJSRXVJBLW-HOTGVXAUSA-N 462.580 0.907 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1 1760689347 WEECLRQBHFVMCN-HZPDHXFCSA-N 462.580 0.764 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1771369628 PGCOICMSJOIPEY-KRWDZBQOSA-N 473.559 0.479 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cnc(O)nc1O 1778006492 FIBJCCAFYZODTN-SLJIWNPNSA-N 463.491 0.544 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(C)=O)CCO2)C1 1778920895 GTKMANZAPOHYMQ-ZHRRBRCNSA-N 482.534 0.211 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1779074128 VWQZGLFMXLUOGR-NZQKXSOJSA-N 457.483 0.691 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)c4cc(C)on4)C3)C2)c(C#N)c1 1779123591 SNAKRCMITLWWRI-XMMPIXPASA-N 481.509 0.666 30 20 JCED O=C(/C=C\C(=O)NC1CC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779229898 OJPKCXQUVDSODN-BMLJBRRVSA-N 462.547 0.864 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)cc1 1780701017 XZMRYUBUQJJMPN-QFIPXVFZSA-N 451.439 0.772 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781055315 UESMIHQMHJWQKO-OJUXNQGMSA-N 462.547 0.746 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)c(C#N)c1 1781173399 DHNYTXXBMWWIMA-HSZRJFAPSA-N 499.549 0.405 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1781295659 ZGXZQZSQTFKSNA-BTYIYWSLSA-N 453.540 0.344 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)COc5ccc(O)nn5)CCO4)C3)c2c1 1782198682 CLVSOVIAPHVSNE-JOCHJYFZSA-N 463.454 0.453 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1783897052 HKHBWZCBPPEJTL-AUSJPIAWSA-N 493.648 0.463 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cnnn3)C[C@@H]21 1784784511 PNYXZGBXJYAEKJ-ATIWLJMLSA-N 477.566 0.683 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)[C@H]2C1 1784794869 GQQRRNUROWJJKG-VIQHNZTISA-N 457.593 0.920 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785305578 SJKSADCUVCRIKH-AOMKIAJQSA-N 452.552 0.941 30 20 JCED Cc1cn(CC(=O)N2CC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c(=O)nc1O 1785356324 HDVSBIQJDDEUPS-QHCPKHFHSA-N 467.482 0.038 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CC)NC(C)=O)CCO2)C1 1785572105 JJZSWTWYUDSSEQ-IUKKYPGJSA-N 464.563 0.648 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785610093 RGOXKOUENBAUBL-YGKZAACZSA-N 467.563 0.519 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789765289 DXOZYGIGDMITHA-DRZYRWJRSA-N 458.559 0.226 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)COc5cccnn5)C[C@@H]43)c2c1 1790330724 PUTBKQFVBDTNFA-IEZWGBDMSA-N 461.482 0.897 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1)C(C)(C)S 1792583070 LVAZNKFAKJXAMM-ONMISFSYSA-N 498.646 0.704 30 20 JCED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1793262878 UVPQZLCXIRRTDS-JHDGKUDLSA-N 487.578 0.324 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1793379976 GCXXPTMZIQOACG-QEOTZNIISA-N 459.609 0.806 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1793383493 UKMNYQLMAABOHT-ZHCJQAHYSA-N 458.625 0.773 30 20 JCED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCc3nc(O)nc(O)c3C2)cc1 1794112390 SXCUMQNTBWUWDE-UGNRZPKXSA-N 477.521 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(N2CCCC2)ccn1 1796580756 XGDLIOLOXSCMFR-UPZFBSBQSA-N 453.543 0.743 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797154147 GHYWSNJMIIOTMT-LOUJCGABSA-N 471.457 0.309 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1797815582 OYZCYSIDHALZQX-SZBFSHRDSA-N 462.547 0.506 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[n+]([O-])cc1 1798364664 SQNBNVDUCXLHQP-FCGDIQPGSA-N 458.515 0.440 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cc(C)n(C)n2)C3)c(C#N)c1 1799237976 RISFIMWRKZXMAB-NHKMSHSESA-N 451.527 0.984 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1799302402 AKQPEHLDFIZOCR-CCWDJLKJSA-N 465.528 0.198 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)[C@H]2C1 1800778879 JBLUXMMNHABTMK-OHWWPSECSA-N 475.542 0.557 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803248674 NSCKTISBUZAPNH-MBOZVWFJSA-N 474.514 0.451 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCS(C)(=O)=O 1803268469 KCGCMPGSMFRMMR-YYIAUSFCSA-N 455.577 0.976 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3CCc4nc(NC(=O)[C@@H](O)N5CCOCC5)sc4C3)c2c1 1819892011 ZAXWWNGDNYYKQC-LRTDBIEQSA-N 481.538 0.767 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N[C@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)ccc21 1825668007 XILHODJJDIPQPK-LBPRGKRZSA-N 453.480 0.647 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1ccnc1 1828563307 WOKFZRYTJHVFPJ-UQBPGWFLSA-N 493.520 0.984 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807937 ZNMLLUDVLSPOFL-GBXCKJPGSA-N 485.541 0.503 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1829267579 VHMAUHJIHCDTDG-JOCHJYFZSA-N 461.540 0.506 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1829267730 ZTQUVCCAUVYQSC-VGOFRKELSA-N 451.487 0.319 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)CCC1 1829453317 ONZMQKCKMPLPGH-ISJBWFOZSA-N 495.580 0.855 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)cc1 1829631896 MJRQQLXIPIIOHD-XMMPIXPASA-N 454.527 0.570 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1829765953 BDENPALBELJFFA-FUMRIQNTSA-N 453.499 0.491 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)ccc3OC)C2)C1 1829773688 QEYBWGNBOKKWHQ-FUMRIQNTSA-N 461.490 0.763 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1O 1830245306 SKIFZNNMNRENSW-XMMPIXPASA-N 474.558 0.682 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1830345931 HNYHNOFUFXOSPG-OJIPKMRZSA-N 477.514 0.756 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnc3ccccc3c1)CCO2 1830441752 ACWLHCXASAKEMQ-XMMPIXPASA-N 451.479 0.712 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccccc1C(=O)OC)CCO2 1830887438 CUXJCJYKZWZTJJ-ZOTQCUMXSA-N 499.564 0.721 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221478 NNGJRFBBZMXFIS-OWAUWMPXSA-N 491.585 0.617 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831275784 CYRKNWVILVDFFA-HOYKHHGWSA-N 494.589 0.276 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831573611 NOCPTONGVBKWPR-QQMNAOGKSA-N 496.561 0.411 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)cc1 1832729429 DTHQQTVXWMUEEK-RUZDIDTESA-N 477.521 0.648 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CNC(=O)N(C)C)CC3)CC2)c(C#N)c1 1833144260 LORWEDPIIVAGPJ-UHFFFAOYSA-N 484.601 0.952 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1835351145 MJQOCRXBXAWDFM-HSZRJFAPSA-N 486.550 0.603 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)Cn3ccccc3=O)CC2)CC1 1835732373 QCTSMEJEGGORRZ-XIEYBQDHSA-N 456.591 0.892 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C(F)(F)F)cn3)CCO2)C1 1836374863 LFMBSSYMJMISCH-KUHUBIRLSA-N 456.421 0.604 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836968167 FLJUPOJVXNQOSU-QFIPXVFZSA-N 460.535 0.017 30 20 JCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CN4CCS(=O)(=O)CC4)CC3)CC2)CC1 1837078020 WOOHGRUOWDIYQP-UHFFFAOYSA-N 452.577 0.019 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1837469047 HFJMEMWWLNOJKI-UZUQRXQVSA-N 473.599 0.868 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837607710 ZHWSSYODJZLUOC-DFBJGRDBSA-N 477.521 0.103 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cc(Cl)ccn3)CCO2)C1 1837649151 DFNUWOAGGDNXCP-IERDGZPVSA-N 451.907 0.609 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837918713 SQRZROQCNZUSJO-GOSISDBHSA-N 472.546 0.603 30 20 JCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CC2)CC1 1838744716 UHYYVHMMXORNEY-IBGZPJMESA-N 493.605 0.960 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)cc1 1838951934 PWHLUXRWXKDCGI-XMMPIXPASA-N 495.561 0.533 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)CCO2)C1 1839036842 QBJZGRGPBMZWQZ-HUJREVKFSA-N 491.560 0.974 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(c3cc(NC4CC4)ncn3)C1)CCO2 1839038769 BIWLKKSGRDLJDP-KOSHJBKYSA-N 468.558 0.357 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1839174956 GHRRUZOJXCGKHJ-HSZRJFAPSA-N 456.499 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1839175584 ROSYDMVUXICNBE-DEOSSOPVSA-N 483.525 0.847 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839209643 ZQPZYGADVBBWSO-OPAMFIHVSA-N 466.535 0.022 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)cc1 1839361890 MAAMWJHZHBPZJJ-DEOSSOPVSA-N 476.493 0.885 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(C(F)(F)F)ccc4n3)C2)C1 1840042147 DZKTZFJZXUMKKR-FQEVSTJZSA-N 480.399 0.511 30 20 JCED CC(=O)Nc1ccc(Cl)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044862 BUOBXEIPNKEICK-NRFANRHFSA-N 463.874 0.456 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C(C)(C)S 1840110741 BZKILROSBSCNJG-VGOFRKELSA-N 499.586 0.133 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840292705 FVNLZOBZSPILFZ-MZNJEOGPSA-N 472.542 0.643 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1840908263 GSVANKCGOTUVIP-CJFMBICVSA-N 492.617 0.845 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841962591 VLWIMDJGNDHZAO-ALLJEULLSA-N 461.519 0.257 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cccn2)C1 1843091522 HVLJRSPQLHBHAM-KRWDZBQOSA-N 490.561 0.892 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](c2ccccc2C#N)[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CN)C2)C1 1843350010 SNDXOZWFLOIVDO-HKBOAZHASA-N 496.612 0.998 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(Cl)c2)c1=O 501767461 WTJWDWJOTGOVDK-UHFFFAOYSA-N 475.954 0.878 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NC[C@H]3CCCO3)sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)CC1 513029037 HGWZNZMRURXQRV-LJQANCHMSA-N 497.577 0.883 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C1CCN(C)CC1 518724298 SOCKNIFNFCVGLN-INIZCTEOSA-N 470.595 0.839 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(CN3CCN(c4ccccn4)CC3)cs2)C1=O 520538099 ZYGKEARKHPJUOZ-UHFFFAOYSA-N 469.527 0.776 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCNS(C)(=O)=O 524282020 MFMXKOXYZWOMLU-UHFFFAOYSA-N 478.552 0.485 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCNS(C)(=O)=O 608912483 OLCZCLRODNJEDR-UHFFFAOYSA-N 499.618 0.427 30 20 JCED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCNS(C)(=O)=O)cn1 726888644 OHUFRXPAIOCZMA-CQSZACIVSA-N 455.562 0.630 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1 728572831 FOZBLJKNFPDDNS-UHFFFAOYSA-N 497.621 0.813 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)CC1 729256555 BKVYEGWBGOWTPQ-UHFFFAOYSA-N 456.572 0.726 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)c1 805699667 NUODEFBBUMRFCS-QGZVFWFLSA-N 470.569 0.571 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2SCC(N)=O)cc1 811833110 MOAQKDCUHVYYDR-UHFFFAOYSA-N 461.521 0.971 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCCNc2ncccc2C#N)cc1 917156340 REWYVHRKZTVENF-UHFFFAOYSA-N 458.544 0.942 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(F)cc1F 917356160 GZRCNRZVFZZQBG-UHFFFAOYSA-N 473.505 0.793 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 918393280 BTGUSYMVBFHCQE-UHFFFAOYSA-N 488.551 0.135 30 20 JCED O=C(COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCC2(CC1)OCCO2 918819479 SRPAZGBYNUXVNN-UHFFFAOYSA-N 465.528 0.850 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CSCCS1 1288861900 FYEWUWRJPOMHGT-BPUTZDHNSA-N 471.678 0.913 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1316360040 OYQALLAOGMFQMM-KRWDZBQOSA-N 466.589 0.769 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 1443147977 LJNWWTYAGYOKIL-INIZCTEOSA-N 457.556 0.833 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1504539855 VRJXGCAVWDRDRM-UHFFFAOYSA-N 467.530 0.407 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC(=O)N1C 1512497951 JQENXQIZFKVOFF-NVXWUHKLSA-N 458.544 0.830 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1517616589 RMYRHSCMDVPSTG-UHFFFAOYSA-N 462.461 0.571 30 20 JCED CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1564689675 JKMUEQFQEFRHLA-LJQANCHMSA-N 455.515 0.760 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1613558839 OFQWQZZTILRZQH-AUUYWEPGSA-N 455.560 0.920 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1615974009 YFZDYWXDEUAJOV-FPDPHYFHSA-N 460.560 0.875 30 20 JCED CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1618679139 XUPUQIPIJKASSC-UHFFFAOYSA-N 467.530 0.550 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1696490140 USTUTXWVXJXLCP-UHFFFAOYSA-N 489.602 0.783 30 20 JCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1nnc(-c3cccc(C#N)c3)n1CC(F)(F)F)C2 1696594999 XIPGKWASPBPHBI-UHFFFAOYSA-N 475.435 0.846 30 20 JCED CCN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC)[C@H]1CCS(=O)(=O)C1 1709938964 YILLJJQLWYWNQL-INIZCTEOSA-N 452.562 0.379 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722555837 MDLCVLCSSAARJV-AWEZNQCLSA-N 490.995 0.573 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCN(C)C1 1749808922 WOPFNUBRYLQLPD-XMMPIXPASA-N 467.574 0.992 30 20 JCED COc1ccc(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1770289245 BVUDMOZGXZIEAK-SFHVURJKSA-N 489.602 0.934 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1779106198 RGWZDURJIXQLEC-VFJYRVFXSA-N 491.570 0.250 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2 1779419607 DODIKSWTUKWHNO-NAKOXXRASA-N 462.503 0.742 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1)N1CCN(C)CC1 1779423811 HTHPHDJYKDMJEG-MGFMGXQYSA-N 479.622 0.665 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779947057 FKSFBOIHUBGGSW-SPLOXXLWSA-N 491.595 0.426 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CCN4CCN(C)CC4)CCO3)C2)c1 1780167809 AFBAISZYGXTKCD-XMMPIXPASA-N 455.559 0.648 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c(C#N)c1 1781172951 LCTHJFINYPOFCK-NRFANRHFSA-N 454.443 0.884 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)N2CCN(C)CC2)CCO3)c(C#N)c1 1781173468 DMDOVUXNWOGRJD-DFBJGRDBSA-N 469.586 0.575 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1781383840 QYGULWUUBLDRCO-NZQKXSOJSA-N 487.594 0.704 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1781696201 MFCKNDOLCZNLDC-SEPYTNNBSA-N 479.578 0.475 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)S)C2 1782069237 KOSANHLWEYLBEI-DBXWQHBBSA-N 462.609 0.515 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1783130854 QUAMSRKKTZTLIY-AUSIDOKSSA-N 456.499 0.903 30 20 JCED CCc1c(Br)c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nn1C 1783563264 ZVHMYAMBVPVNQM-GOSISDBHSA-N 453.293 0.277 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nc1Br 1783567340 XBNHDNRMMMHZGF-GOSISDBHSA-N 452.261 0.384 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1783662482 ACQVXHRXPFOPBV-QZMQVMSPSA-N 478.546 0.776 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1785574709 PDBDYOZRWIHMOC-WZOHSFFVSA-N 485.585 0.698 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](CC)NC(N)=O)C[C@@H]32)c(O)n1 1785774166 RQXXOECIFVDEJA-FZDIXFNVSA-N 459.547 0.946 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncn3C)[C@H]2C1 1786129393 SEADDLIEBIJBBR-DWRORGKVSA-N 459.547 0.930 30 20 JCED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21)C(=O)O 1786897414 JFHWFCUHNQRCPV-QLIIJSOBSA-N 458.515 0.152 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCNC(=O)OC(C)(C)C)[C@H]2C1 1789853249 CHQZEWJIUWOHSE-NEPBSLMDSA-N 494.589 0.366 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)[C@H]1CCCS1(=O)=O 1790748257 WISVNTWBDUWVFD-YARWHPPASA-N 457.549 0.072 30 20 JCED C[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)N1C(=O)OC(C)(C)C 1791073240 USXQTFVHCPTDQC-ATIWLJMLSA-N 463.531 0.842 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCNC(=O)C4)[C@H]3C2)c(C#N)c1 1791347634 HJLSVSSRILRHQJ-SEONNTABSA-N 454.527 0.615 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792110274 QEYIXDIQTHEVPL-PJVZLEMVSA-N 495.621 0.418 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1792267849 KMCKLWLIGPCWKD-YZZQMHEZSA-N 493.605 0.028 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](CCN(C)C)(Cc1ccccc1)C(=O)O)C2 1793347229 ABJAKMGUXVUTBX-ISUIZHTCSA-N 499.608 0.880 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1793360709 YRVHPTPTJIOSDV-LVEJAMMSSA-N 483.562 0.624 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793729248 GPTZTLPEQKCCSS-YWVZOEBSSA-N 469.388 0.460 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n[nH]1 1795695467 BWCFAFFIQWIBIP-KTCAICRNSA-N 461.519 0.788 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795969388 YHMREYSREYXJEN-AFIMGQEJSA-N 460.560 0.087 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1797741133 DVSYPPPVVCGOLV-JHVVUYSQSA-N 472.542 0.511 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1801001790 KLRDUJOKUKREKN-CWPLJXCYSA-N 450.536 0.231 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C1 1802084284 GNFGQJNQQZZJNY-MHORFTMASA-N 465.547 0.999 30 20 JCED C=CC[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2)NC(=O)OC(C)(C)C 1804009488 ODNNDHBIZFGGBN-HAGHYFMRSA-N 482.622 0.771 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3c3cccnc3)c2c1 1807194873 FRKCXAKBKIOGAZ-RADWXHQJSA-N 474.525 0.742 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1CCN(C(=O)CC#N)[C@@H]1c1cccnc1 1814218658 UEJSVDYRSICFBL-JTDSTZFVSA-N 458.519 0.770 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815670966 SGDVMQFHAKAHGG-DLBZAZTESA-N 467.592 0.705 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1819709887 QORLYTZRGLRZPF-BDJLRTHQSA-N 458.544 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCS3(=O)=O)sc2C1 1824926470 UVHLAXPFSLNPPT-GUQCVNHZSA-N 452.558 0.491 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCN2C(=O)OCc1ccccc1 1828584814 NTULKCPWANKMHT-XMMPIXPASA-N 454.527 0.986 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4C[C@H](O)CN4)CCN3C(=O)OCc3ccccc3)C2)CCC1 1829205826 FRYVSNKGGKSUTR-WOVHNISZSA-N 495.580 0.855 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1829231666 FJOFCXHZZBBZJK-SBUREZEXSA-N 476.530 0.550 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829485503 JLSFQDAEBLFAGJ-XXVAPRDTSA-N 466.447 0.787 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1829766370 VJJMBQQEIYDZDJ-XSAUMEDDSA-N 473.486 0.227 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1829766401 WSUSHAADDQZBGI-VELRTKLYSA-N 473.551 0.802 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cc1 1830218661 YXGPVDKQZAKYJM-LCCCKJFOSA-N 471.510 0.897 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1830300116 HAPOMBLKBPOCIB-BPWCYXMDSA-N 481.594 0.828 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c1 1830464293 BDRMTMUDVRZZFW-QHCPKHFHSA-N 452.515 0.629 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1830885306 BDFSJMXUFXFZBK-SBUREZEXSA-N 480.562 0.412 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831225743 YTKVCGQWBMGOQL-MHECFPHRSA-N 475.542 0.782 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831328640 FBYYYXKYNLVKTH-VGOFRKELSA-N 478.571 0.150 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3C)C2)C1 1831388625 ZRYAMLOAQMRXOC-RZTXVSJASA-N 455.555 0.538 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc(-c4ccccc4)o3)C2)C1 1831396066 HNCJQIVABUEMJU-UZUQRXQVSA-N 454.483 0.845 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1831407171 QGKOYKAUZJLCNX-QFIPXVFZSA-N 450.536 0.582 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1831495895 PAHMUXNCPLAAQS-PXNSSMCTSA-N 468.532 0.167 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832206347 UOKKMTUACLXHRM-OJIPKMRZSA-N 486.529 0.417 30 20 JCED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)CCC1=O 1832381468 UCVLPRIFPLOLAT-HSZRJFAPSA-N 469.498 0.002 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1832446667 DRSQFXHVZCFNHN-KKSFZXQISA-N 473.592 0.248 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)cc1 1833106579 MKLSUXYUFKNXNZ-OAQYLSRUSA-N 454.575 0.265 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)c(=O)[nH]c1C 1833384102 RYBFZEVLXDBSTC-XMMPIXPASA-N 465.510 0.571 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CN4CC(=O)NC4=O)CC3)CC2)c1 1833712527 CYWZDWSDGSYSEB-UHFFFAOYSA-N 466.542 0.604 30 20 JCED COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1833767427 YZCSDFUCUXUQAO-MBIGCVILSA-N 462.503 0.689 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833843933 IBPZMEFRLMSHLS-HXOBKFHXSA-N 492.577 0.745 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c(C#N)c1 1835513989 UDVWWJYBGSBFDY-NRFANRHFSA-N 461.544 0.192 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1835677412 HWLOIJVIMKIIOW-FQEVSTJZSA-N 454.478 0.630 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1835732072 LAOHHVNNWNRDBS-XIEYBQDHSA-N 472.590 0.345 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)cc1C#N 1835752473 QWEGGWCKTHOJSW-DVECYGJZSA-N 487.557 0.008 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2ccccc2=O)CCO3)c(C#N)c1 1835998321 UWPRYBOBRLPJEQ-RUZDIDTESA-N 480.521 0.428 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836097890 ZQGAYWPORDFPRN-UHFFFAOYSA-N 494.600 0.557 30 20 JCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1836516088 MTFIRBGBZUVOAQ-VQTJNVASSA-N 489.642 0.152 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836811442 QZGZJYZVDQCOBF-VCGLIYPTSA-N 472.502 0.557 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)c(C#N)c1 1837319240 NSASKRICTCISNO-NRFANRHFSA-N 499.442 0.671 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1837404822 CJWOGODNWBZPJW-AUSIDOKSSA-N 498.573 0.872 30 20 JCED CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(C)C 1837444241 UMHOPACFZAELDN-PTJKWTKHSA-N 452.552 0.502 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CS[C@H]1CCCCO1)CCO2 1837502563 XJMQOVOUVWIWQZ-VDCFCKFASA-N 467.588 0.561 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1 1838584321 VKAYRNPBHHTNLJ-HXOBKFHXSA-N 456.499 0.163 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C3)C2)c1Cl 1838596116 OJBBANZUSNKLDX-QFIPXVFZSA-N 497.899 0.326 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1839173190 DPZFWUMIBAMIIG-GBXCKJPGSA-N 474.510 0.792 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cccnc3)C2)C1 1839174820 YTKWKUWCUVPPGX-FDDCHVKYSA-N 460.531 0.848 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1839174901 CJRFHYJRZPIRLJ-JPYJTQIMSA-N 460.531 0.848 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(=O)OCC)cc3)CCO2)C1 1839444582 VJUMVIXFMWMYNH-MHECFPHRSA-N 458.511 0.972 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4nc5ccc(F)cn5n4)CCO3)C2)c1 1839624931 YKFWVQINNWTICQ-OAQYLSRUSA-N 453.434 0.452 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)[C@H](F)C1 1840039865 IVSAELJZGRACNP-SEPYTNNBSA-N 497.520 0.126 30 20 JCED C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040159 QQWSLXNHDJVEML-GGUMNFRJSA-N 493.557 0.424 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3cccc(Br)c3)C2)C1 1840043449 ZMLPXABQVLEHIV-ICSRJNTNSA-N 481.299 0.027 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1840108169 ACSJFEOEYVVTSY-QZTZHPFYSA-N 494.589 0.438 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1840162395 WKMNDNUOMPBSIX-YCRPNKLZSA-N 452.529 0.224 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)c1 1840182961 MMOPLUFNENTLAI-CQLNOVPUSA-N 473.526 0.999 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c(C(F)(F)F)n1 1840229958 UWTXGAZVBVUYNL-SPLOXXLWSA-N 495.458 0.568 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC)C2)C1 1840906736 ISAUGFWMOFIRMT-GAJHUEQPSA-N 467.563 0.784 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840908408 AWZNDPSCQYEEGP-HXOBKFHXSA-N 460.531 0.663 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1840909253 PHNNPDCAMZVRJF-WZONZLPQSA-N 475.546 0.256 30 20 JCED CCOc1ccc(N(CCC#N)C(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 10207956 DUURDPHTBGEJDJ-UHFFFAOYSA-N 457.531 0.335 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 603733389 ULHKQRCTFOSIDW-UHFFFAOYSA-N 471.564 0.887 30 20 JCED Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCc3cccc(C#N)c3)CC2)cn1C 726201006 QCBGLRZLRLEAHY-UHFFFAOYSA-N 459.528 0.861 30 20 JCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCc2nccs2)C1=O 726402977 IHIBNDTZPKBAAL-ZLFSKHNOSA-N 467.598 0.969 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccsc2)c1=O 729673579 WINSSKWTAWGHJD-UHFFFAOYSA-N 451.595 0.578 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2SCC(N)=O)cc1 746135980 XPEKZRSXCCLAIM-UHFFFAOYSA-N 462.509 0.596 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 918238506 XNXPDBNXBADBSI-MOHJPFBDSA-N 493.567 0.402 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3cnn(C)c3)c2=O)CC1 920399524 RQXBZSCODUZIHH-UHFFFAOYSA-N 452.540 0.322 30 20 JCED CNC(=O)c1cccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c1 1299051605 PJWFBCWTMCGNMH-VQIMIIECSA-N 489.602 0.952 30 20 JCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1302979193 OLAVEMNMCQCNQJ-JJRVBVJISA-N 480.488 0.885 30 20 JCED CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1503736552 UGZCTQSAIQLTLB-JOCHJYFZSA-N 487.586 0.727 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 1508278774 KGSNIXUITJAMIL-QHCPKHFHSA-N 450.547 0.683 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@](C)(O)c1ccccc1 1510219954 RHHNRNWIZMSBLT-BPXKWBHBSA-N 473.603 0.973 30 20 JCED C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1512368838 XCGIHJVTLYNTEY-BRSBDYLESA-N 466.608 0.797 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1617623198 OGBBRYBIQURVHD-UHFFFAOYSA-N 480.573 0.276 30 20 JCED CSC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1620225064 YJTRTPHQZAHNIF-LSDHHAIUSA-N 456.594 0.625 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(S(=O)(=O)NC)c2)CCOC1 1696094461 QNCZYIFDMDILNG-UTKZUKDTSA-N 476.559 0.615 30 20 JCED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1709902494 PNFWHPABEXXXHR-UHFFFAOYSA-N 452.563 0.942 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1711420214 PFGVODXYKSZUNM-SFHVURJKSA-N 456.532 0.677 30 20 JCED C[C@@H]1CN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCCO1 1743335263 KQWVPTUBQGFVHC-GGPKGHCWSA-N 494.666 0.566 30 20 JCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OC(F)F)c2)CCO1 1771537334 MGNDWFWOFHSSGZ-KBPBESRZSA-N 454.459 0.954 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1778181470 GNDQFQZBTPSTLP-UTBBOMKLSA-N 466.538 0.721 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCN1C(=O)c3ccccc3C1=O)CCO2 1779015294 UMWKRTBSOXTNTJ-IPACTHBOSA-N 481.553 0.974 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn2[nH]cnc(=O)c12 1779102076 AWDRIZLVUZIZAM-CXAJXKSHSA-N 472.502 0.304 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)C1 1780654124 UIWLZZCNIHSGPF-MPWIWIEXSA-N 450.536 0.642 30 20 JCED Cn1c(=O)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)nc2ccccc21 1782009990 CDSYGSLBYYBPCN-UZUQRXQVSA-N 452.467 0.149 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567227 JVAMCGSEVOZOMM-HOYKHHGWSA-N 499.524 0.056 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)CN5CCCCC5=O)C4)C3)c2c1 1783761563 ZUFIKNIEQFISJR-QHCPKHFHSA-N 450.499 0.891 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)[C@H](F)C1 1784339016 UUWIHHIWKZBXPR-RZFLPCETSA-N 481.521 0.649 30 20 JCED CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1784369717 HMNFYIQJXHPMQI-CJCBUOBESA-N 452.515 0.943 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784597373 LBGFOTIEHQGMQD-PMAPCBKXSA-N 489.577 0.761 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)OC)C[C@@H]21 1784785017 UWSTVNSLSXIVJX-NXOAAHMSSA-N 468.551 0.792 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1785571517 DUGYQVDAGSVYBI-JPYJTQIMSA-N 464.563 0.601 30 20 JCED CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)nc1 1785711133 BRPIXFKOJYEKJE-XMVOBEOSSA-N 474.539 0.791 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN(C)C)[C@H]2C1 1786721344 UCUHQGACCVGXOJ-OKYOBFRVSA-N 450.580 0.834 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1787393306 FVRGYVWYMAWDNF-XSLAGTTESA-N 481.594 0.134 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1788659459 NWGPAGKDDQAATP-XQIJWDMOSA-N 450.452 0.440 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1788778074 MBTSMDPIGOSSMG-UHMOLFJZSA-N 468.514 0.179 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(-n4cncn4)c3)[C@H]2C1 1790246817 FGIYWJOEWRMRBK-ZWRIWVSPSA-N 464.526 0.719 30 20 JCED CC(C)(C)OC(=O)NCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072364 GANHXIFJHHUJHW-ULQDDVLXSA-N 451.520 0.749 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072673 SSSDJQFSJUZJPU-DRCYAFTPSA-N 479.530 0.079 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791266086 ZZEIOGCYBFVNDE-GVRJEKJASA-N 473.592 0.741 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794405062 RYMMJJFIKUVSFD-QXGSTGNESA-N 465.572 0.403 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccn(Cc2ccc(F)cc2)c1=O 1794406601 MOMYRDSDPGVXSR-ROPHOZQPSA-N 482.512 0.672 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794506788 OXWNXLMMMXTXAS-ZRAXVTTISA-N 485.585 0.184 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nc(C)no1 1795818062 NXURQCQNJXABRW-FVSFCRNKSA-N 475.546 0.980 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796448269 JGWAFSKYGDDZAA-WXVOMPCJSA-N 485.566 0.547 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1797789161 AINQYAXLXLCEEN-WOUAJJJCSA-N 461.446 0.395 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1797808987 VUZSWUWNCRJSEN-VTIDIFEBSA-N 451.455 0.515 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)C3)ccc1F 1799322687 CDVYJCCUGRFFCT-LTTGWXLMSA-N 495.511 0.836 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccn4c(O)nnc24)C3)c1 1799745593 VURZYUHPBOMHPK-ZSBFGKGUSA-N 450.430 0.963 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O 1800517481 VVGNYXXMCNXDIO-AXVVYFOYSA-N 464.563 0.538 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1800944867 JFIMXJPTIPTEAF-YVSFHVDLSA-N 498.602 0.208 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1801161741 KPDOSIRRSXHPFF-ZOBZJNQJSA-N 491.589 0.974 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cncn1 1801363470 LEESCBVZALXEOR-AVEIZBFRSA-N 460.535 0.345 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@H](N)C(N)=O)C3)cc1C#N 1801848562 AVSRFNDPUUCNTB-NYUBLWNDSA-N 457.531 0.141 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802084702 ZASAKCDDRATHDJ-JCECYMMASA-N 483.562 0.624 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)[C@H](C)CC)C2 1802126002 AANZQANOYMSXLG-RCFCFVIZSA-N 450.580 0.866 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1802145545 GXMZJKNIRSIIMB-RDGPPVDQSA-N 472.542 0.943 30 20 JCED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1806028824 DRHPZZPPWGEGDG-CEXWTWQISA-N 492.642 0.989 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1808430814 CGXJNKHDTYXCPC-JXFKEZNVSA-N 457.487 0.149 30 20 JCED N#CCCC(=O)N1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1812443369 LBMWZHQRLHVGRC-IIMDRIAPSA-N 484.582 0.571 30 20 JCED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)n[nH]1 1821780074 JRLJWWNNAHFRJW-USXIJHARSA-N 472.571 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1829766053 IGENEWNOAZXABG-IBLIISRWSA-N 465.510 0.558 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1 1831202452 QVHQEKMQHUWZTN-QFIPXVFZSA-N 453.536 0.259 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831341155 JMIKWSGVMBLIMB-FQEVSTJZSA-N 469.947 0.716 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1831391622 DNCMSNYOQAIZLF-DFBJGRDBSA-N 469.538 0.527 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831393895 RANPGEUEKOUMNJ-PNCHPQGNSA-N 483.562 0.021 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1831396948 MVNWFYYNNBNQSB-QKKBWIMNSA-N 461.906 0.720 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccn(C)c2=O)CCO3)c1 1831890681 OGXWHBNMUGRTSU-XMMPIXPASA-N 450.495 0.949 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C)C2)C1 1831997507 BNBKBNJYJDDILB-FDDCHVKYSA-N 468.595 0.864 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1831999789 CUPXIHKWBYYYEI-HXOBKFHXSA-N 494.545 0.706 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832247750 PUQJTADZIAYIRE-HNNXBMFYSA-N 458.430 0.717 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(-c3ccccn3)nc1)CCO2 1833289112 IQLXBZKAOYYZEO-KBDOHKNDSA-N 492.536 0.467 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1833470211 JOBCOVYPFTYWKE-HXUWFJFHSA-N 454.568 0.605 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833537792 IMDVSXDHSFCMEI-QVKFZJNVSA-N 479.559 0.525 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833564324 XZXZCJLCZBBTRB-OAQYLSRUSA-N 464.544 0.246 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@@H](NC)C(=O)O)C3)C2)c(O)n1 1833698924 PTYSVGVCZZBWMJ-JPYJTQIMSA-N 476.530 0.039 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C)nn2C)CCO3)c1 1834162127 BJIDSVGCHSCUSG-HSZRJFAPSA-N 453.499 0.993 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3CC)CCO2)C1 1834419132 YXYJLNQKINPBNO-KOSHJBKYSA-N 489.573 0.890 30 20 JCED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835245423 SYTQMHPMRLFRMH-QFIPXVFZSA-N 457.487 0.168 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5cc([N+](=O)[O-])ccc5[nH]4)C3)C2)CC1 1835345767 AOGVHFDRUKWAJL-NRFANRHFSA-N 454.443 0.845 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835346201 VJDCOQCZDOKFNL-NRFANRHFSA-N 465.503 0.603 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCOCC2)CCO3)cc1 1835392761 JYQPLYCSYLCUKW-XMMPIXPASA-N 456.543 0.279 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nc2ccccc21 1835676997 GXGKVCZQWKFINC-VWLOTQADSA-N 496.568 0.285 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)ccc21 1835677138 JAVGQWJEJZNOQQ-RUZDIDTESA-N 498.584 0.229 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836042052 LYHBSLRLWSLCSZ-GSYWIZTCSA-N 452.533 0.671 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCCO3)CCO2 1836678621 ZGMDTNHJAXEQAA-PAUWSZDUSA-N 483.565 0.869 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1837122490 NOGGSAFLARRBJR-SKZKPWFZSA-N 454.531 0.876 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1837208782 NJQUUYLQKASNJY-SIKLNZKXSA-N 483.638 0.558 30 20 JCED CCc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)co1 1837531305 IMUBVDWSWKPJAA-RJGDLVSHSA-N 450.492 0.836 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837545268 OQDHMVFCZBBONY-FQEVSTJZSA-N 452.533 0.088 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3I)CCO2)C1 1837963260 GUVWFJIFDISMFA-ZUZCIYMTSA-N 480.328 0.403 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c(O)c1OC 1838739297 PWPUMOGZOFDCNZ-HSZRJFAPSA-N 470.482 0.993 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838774320 YMVZKAKDOHIILD-DUXPYHPUSA-N 458.467 0.903 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(Br)nc3)CCO2)C1 1839027808 VWHIJWCZWSMEMA-KKSFZXQISA-N 480.359 0.881 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]([C@@H](C)OC)N(C)C(=O)OC(C)(C)C)CCO2 1839094886 ZTVJPBBBKXPMES-NRJQMVOHSA-N 453.536 0.346 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc3cccnc3cc1F)CCO2 1839134662 GSFNSYZTDYVKOH-QHCPKHFHSA-N 455.442 0.461 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1839173167 CJVIACNWYISUCY-QFIPXVFZSA-N 491.570 0.608 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n1 1839222960 GSQWJUBPYBHQOD-OPAMFIHVSA-N 461.519 0.911 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)c1 1839361688 ZDQVIZLLKICDQA-DEOSSOPVSA-N 498.561 0.935 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)cc1 1839361862 KKHDFMBDZLBQSZ-FQEVSTJZSA-N 451.426 0.933 30 20 JCED CN1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(Br)c(C#N)c4)CCO3)C2)C1 1839401496 LHQNYHKPRBEMDZ-OAQYLSRUSA-N 477.359 0.952 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnn4)C3)C2)c1 1839454139 WDLKBOPAQPSNGA-QHCPKHFHSA-N 451.483 0.806 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043494 BOKZGLDTUKLLGV-CJFMBICVSA-N 499.520 0.402 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840055345 PTEOSPNBFDWGJA-OPAMFIHVSA-N 482.534 0.203 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3C)CCO2)C1 1840388159 OXEUDJFWDLLKMW-QHCPKHFHSA-N 462.547 0.938 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1)NC(=O)OC(C)(C)C 1840795338 COGPCXNGARMUSB-FDDCHVKYSA-N 492.577 0.594 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O)CCO2 1840858044 YFZVQQJESVUFCJ-ZJSXRUAMSA-N 459.518 0.743 30 20 JCED CCc1nn(C)c(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c1I 1843112980 WQAWEJPKVYTMBL-UHFFFAOYSA-N 470.267 0.492 30 20 JCED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 108751187 HGUOVVQLALITIU-UHFFFAOYSA-N 453.506 0.393 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc3c(c2)CCO3)c1=O 511063206 MJXSYIKTBSNPIT-SFHVURJKSA-N 497.573 0.596 30 20 JCED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 516439757 VFZWZFOACVHGKS-UHFFFAOYSA-N 485.522 0.398 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(-n4cncn4)c(F)c3)c2=O)CC1 518723381 UOFXYBAGECPOJF-UHFFFAOYSA-N 493.568 0.678 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2-c2cnn(CC)c2)CC1 523179790 KDSAQUFDEBLVMB-UHFFFAOYSA-N 462.579 0.783 30 20 JCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2)CC1 560552264 MXIKDRYGHMGGQE-UHFFFAOYSA-N 497.581 0.177 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(F)c1 608828249 OQXJRVOTTUNSOY-CYBMUJFWSA-N 471.514 0.434 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O 608911431 DIGJWCPTPVYPMC-UHFFFAOYSA-N 499.412 0.265 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCc1cccnc1 609038242 KLIRAJCRJSHJKW-UHFFFAOYSA-N 492.557 0.932 30 20 JCED COCCN(C(=O)COC(=O)c1ccc(C#N)cn1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 730895538 LDXXKMGYHYNWMQ-UHFFFAOYSA-N 478.465 0.682 30 20 JCED C[S@](=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 749636145 NRMRMGMVORPJMG-HKBQPEDESA-N 475.548 0.986 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)N3CCN(C(C)=O)CC3)nnc12 768752475 XZMBORHEVKNMQD-UHFFFAOYSA-N 484.538 0.556 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 769642703 YYSSPJSUQIUIGW-UHFFFAOYSA-N 460.487 0.868 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 916785388 KADLSSBLKSINKX-UHFFFAOYSA-N 480.506 0.893 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C 916799121 ZUYXMCHKGZLNMJ-UHFFFAOYSA-N 455.500 0.752 30 20 JCED CC(=O)N1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)CC1 1286890860 SYBNYXZQXBVTAI-QGZVFWFLSA-N 488.618 0.560 30 20 JCED CN(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCC1 1298047716 MTYMUMHTOXIBLV-QGZVFWFLSA-N 451.597 0.835 30 20 JCED CC(C)(C)OC(=O)NC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)COC1 1302242451 UGVSFYJLGUBWOL-LIRRHRJNSA-N 484.554 0.916 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1315062186 JUXKNMTVOGKLDK-HNNXBMFYSA-N 467.559 0.920 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 1468699720 XTABANGDTRKXHO-HOCLYGCPSA-N 454.574 0.545 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 1507785341 NNJKOOJXHMJCAT-CHWSQXEVSA-N 477.385 0.187 30 20 JCED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1612657941 NHXVCEMOQAQGGI-DOTOQJQBSA-N 458.544 0.830 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1617573954 NFRQSEVUARPURN-FIKGOQFSSA-N 481.598 0.565 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CCO1 1696962491 JOUZVJAYSXTZSJ-GOSISDBHSA-N 458.544 0.593 30 20 JCED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1723890786 WHGBANSCPHHRCJ-CQSZACIVSA-N 454.578 0.577 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)CC1 1740822825 OZJXRGHMKYEHEX-KRWDZBQOSA-N 475.015 0.665 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1779588246 GBIPGXDXRMDBKC-GYLQWBMOSA-N 450.499 0.774 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1)c1ccc(O)cc1 1779879580 KFZJJXWLTVFLCJ-CJAUYULYSA-N 477.521 0.922 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(OC4CCOCC4)n3)C2)C1 1779901387 PPSGDCGOMYSPER-KBDOHKNDSA-N 484.553 0.941 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780200483 BXESOSFXXJLSSR-RUZDIDTESA-N 495.536 0.821 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ncccn3n1)C2 1780738127 VMKNSPNAIKSLJN-OPAMFIHVSA-N 456.503 0.761 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)cc(C(F)(F)F)c1 1781045621 VLZSPTUXTFODIH-ABSDTBQOSA-N 452.433 0.743 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1782604543 SFOISQMQYFPBQY-HOSHAOQPSA-N 451.527 0.441 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)c1ccc(O)cc1 1782751879 BTRSELYTSOJFPM-UUOWRZLLSA-N 471.510 0.262 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1783131835 IPLFPFBQTNMVPQ-GEQKSPFYSA-N 457.531 0.044 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783603273 OROJWASDSSAZOR-KSFYIVLOSA-N 451.520 0.686 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1785307906 QJLRJUWGEINETO-YDIMBITNSA-N 496.605 0.827 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787496829 WSIWNAKDWGCKOO-VTRWRZSMSA-N 454.552 0.820 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1788638206 XKZGCDDZODUALH-MLCQCVOFSA-N 485.537 0.965 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789510606 IHFNLHRWMUDLEJ-JPLJXNOCSA-N 458.515 0.995 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4ncnn4c3)[C@H]2C1 1789717408 ZHFSSBQLWUZDMR-FHWLQOOXSA-N 455.515 0.761 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790583648 CTKJDJSUWBVJNJ-VJANTYMQSA-N 487.557 0.140 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)NC(=O)OC(C)(C)C 1792110759 RUGLNRVBABTLRW-MHORFTMASA-N 463.531 0.914 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cc(C)c(O)nc4=O)[C@H]3C2)c1 1792133272 YMTXOQVGVADCEO-IHPCNDPISA-N 465.510 0.731 30 20 JCED COc1cccc(N2C[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)CC2=O)c1 1792427311 DQAZQTVDMHYTIV-CROMWVBPSA-N 497.596 0.920 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 1792489101 GBHLMWBWPVMDDS-GUMMBQFYSA-N 476.574 0.691 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)C2 1793346961 SOXKZQSDIKFWFH-QLCXLMDBSA-N 463.531 0.540 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794403632 UPRPQTHEGYXGLD-DACLVMHWSA-N 455.602 0.784 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Br)c(CC)nn1C 1795959584 ROKNAWXEYXQUHB-LEDMXFKVSA-N 494.390 0.807 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1797121608 QYLPKEWGBBTTJF-TWHPPBISSA-N 463.575 0.997 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1797782836 YNOANHIBPUGIOJ-IRJINJETSA-N 482.581 0.820 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](COC(C)=O)OC(C)=O)c(C#N)c1 1797789973 KHHOUGNYRZXPHO-MHXAIHSWSA-N 487.509 0.194 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1-c1ccncc1)C2 1797808936 RTJDYWKBTSNVBI-QUFBPKGLSA-N 468.514 1.000 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1797872941 ISPORKCRXBBEON-FDFFUELDSA-N 480.500 0.438 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)[nH]2)CC1 1798182789 HPGHDJBNHCZVPC-SCAQPMJSSA-N 488.545 0.859 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799195324 DMMMSWNHCBLCBO-FSNPWBFUSA-N 469.604 0.723 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C 1799250075 ZHZIZCNGYUTUAV-JNIAIEOXSA-N 495.573 0.461 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)OC)CC1 1800558636 IXAJKFVLXFRTSK-YVSFHVDLSA-N 463.531 0.446 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CNC(=S)NCC)[C@H]1c1cccnc1 1802490506 RQIWBCWYQKDBNW-FLNVOPPSSA-N 458.588 0.430 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1808439772 CJHRDBSPHFBJKL-UWJYYQICSA-N 480.525 0.851 30 20 JCED O=C1CN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=N/O[C@H]3CCCCO3)[nH]n2)C(=O)N1 1815668552 XDVGCFSKKIPZHV-CLSWYFGXSA-N 461.479 0.483 30 20 JCED O=C(CNCP(=O)(O)O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1817236124 WZSCUELKNXDIKP-RVZJCZPVSA-N 455.456 0.598 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1819706114 KGQKOIILUFVDEW-XJKSGUPXSA-N 470.617 0.359 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=C\C(=O)NCC=C)CCN2C(=O)OCc1ccccc1 1828494847 VLPWSFNFCCYFTJ-BOWHEOPPSA-N 464.522 0.930 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)N(C)C)CCN2C(=O)OCc1ccccc1 1828513125 BIMCZZDDICMLSP-HSZRJFAPSA-N 455.515 0.343 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828632316 JYMNKXQCSWBFQS-DFBJGRDBSA-N 495.536 0.450 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCN2C(=O)OCc2ccccc2)C1 1829023391 OXXLNYPYBLAPOK-NBGIEHNGSA-N 494.552 0.769 30 20 JCED C[C@@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1829221626 SIVDNFLIBFYEFE-CLOONOSVSA-N 466.538 0.986 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829631201 HQKYGHWLFWSFMA-XUZZJYLKSA-N 472.542 0.098 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c(O)cccc34)C2)C1 1829771022 BEMYMAPJZIPZHM-CVUHLLMESA-N 480.521 0.869 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1829859787 JYWKFPHONPAAPT-REWPJTCUSA-N 460.506 0.611 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)c1 1830464744 SICHJTKFZCRTEG-JOCHJYFZSA-N 470.555 0.858 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221516 PLZLVZZYZHJFGP-KOSHJBKYSA-N 493.557 0.313 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4N=C(C)CC4=O)cc3)C2)C1 1831396591 FVZQANCBNQWVLH-CLOONOSVSA-N 482.537 0.908 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1831427604 UJGREMBJCRENSN-IFXJQAMLSA-N 471.352 0.844 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831728728 FDJXWIHQROPQDX-QMHKHESXSA-N 491.545 0.722 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccn(C)c2=O)CCO3)c(C#N)c1 1831888059 OHTVRSNMBAOMQJ-VWLOTQADSA-N 480.521 0.578 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1833475379 QOVLRALSXHTSDF-GOSISDBHSA-N 484.663 0.821 30 20 JCED Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)n(-c2cccc(=O)n2C)n1 1834398501 ZUYKYJGCGCMVBM-UHFFFAOYSA-N 465.558 0.978 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)[C@@H](O)C1 1834760503 FJBPPKZETUODHE-RTFZILSDSA-N 480.562 0.364 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C2)C1 1834766143 ZQEXKRRAZPUUJY-HOYKHHGWSA-N 483.573 0.637 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)CC1 1835338652 PANCSEFOHOMUGQ-QHCPKHFHSA-N 492.573 0.509 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1)C(=O)O 1835763770 NCETWXQLPAXSBX-LAUBAEHRSA-N 498.458 0.710 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncn5nc(N6CCOCC6)ccc45)CCO3)C2)C1 1836289895 NMJOQYCROALKCE-VWLOTQADSA-N 496.568 0.602 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c(C(F)(F)F)n1 1836321982 TZGMDSYOXOWDCS-QRWLVFNGSA-N 481.431 0.321 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1837400429 FJEFBHBEFVHVMZ-SBUREZEXSA-N 469.579 0.929 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1837428345 BNXKHPYBFOCAAU-JTSKRJEESA-N 478.622 0.092 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837496645 NDUXFIPQIIQOLH-YKSBVNFPSA-N 463.575 0.446 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1)c1ccccc1 1837611731 KHESNQSKLMRIAK-CUNXSJBXSA-N 493.560 0.955 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)[nH]1)CCO2 1837762053 GABPGBRMJIRIKX-KKHYBRAUSA-N 470.448 0.962 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)cn2[nH]cnc(=O)c12 1838468448 FACKKOLBPLMRMJ-UWJYYQICSA-N 463.560 0.355 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)c1 1838581808 QWZJWHXHBKEENU-DEOSSOPVSA-N 466.494 0.499 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5ncccn5n4)C3)C2)c(C#N)c1 1839132792 QCUKNQIRFJRONJ-VWLOTQADSA-N 490.520 0.922 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1839223383 UHVYXYWAZUMXFA-JTSKRJEESA-N 458.519 0.689 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1839224865 QRKUXBUOZMKMKN-KSFYIVLOSA-N 462.503 0.724 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)n(C)n1 1839420022 IIJLVHDGUKIJRF-QFIPXVFZSA-N 457.462 0.823 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2ccnc2C)CCO3)c(C#N)c1 1839715550 ISPVGZOXUILQHD-XMMPIXPASA-N 467.526 0.771 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(F)(F)F)cc3S(C)(=O)=O)C2)C1 1839809070 CXWLLDFTEKAAPH-LJQANCHMSA-N 474.457 0.812 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CCOCC3)C2)C1 1839809683 HHNZSUSECKJEEP-NTKDMRAZSA-N 479.574 0.786 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839988004 QKBBVMHEZJJJHV-GIFRWZEPSA-N 484.550 0.497 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCC(F)(F)F)c(F)c3)C2)C1 1840043548 FQGGKMMASHEJMW-FQEVSTJZSA-N 488.390 0.925 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO3)C1 1840055101 FGPVKUFFNOSERN-MHECFPHRSA-N 495.573 0.865 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1840108395 WVNKVJIQBAFZMA-PNCHPQGNSA-N 492.577 0.765 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840218807 QEGSEMMYXZHHCK-PKTZIBPZSA-N 499.630 0.734 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1)c1ccc(O)cc1 1840222118 FFDBIFRHSNHVRT-HYBUGGRVSA-N 492.594 0.780 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)cc1OC)CCO2 1840677489 MQQDZNAUVBYLEV-WEHRJKGCSA-N 457.527 0.932 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1840815793 HVHVQXKVUIEJTF-HOYKHHGWSA-N 492.573 0.773 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840853275 GEDSFNWVTXRNAN-HZCBEHAQSA-N 468.551 0.277 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)c3ccccc3)CCO2)C1 1840899897 FYSRYKPFHSEJON-KHCICDEESA-N 457.527 0.300 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1840909339 RJKXESOMDLBDKS-UUOWRZLLSA-N 488.541 0.774 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1840909614 XXCBBXONCMEATA-YADARESESA-N 489.573 0.565 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840945635 XYJDQYFOYJMQAU-HTAPYJJXSA-N 483.537 0.440 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)C2 1841600720 PGLMOKPUVGUHKW-INIZCTEOSA-N 472.546 0.884 30 20 JCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845013501 CPUCUFGAWLFYPX-CQSZACIVSA-N 460.556 0.636 30 20 JCED C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCS(=O)(=O)C13CN(C(=O)OC(C)(C)C)C3)C2 1845960464 FFZWRMRNYLSBNO-HNNXBMFYSA-N 451.545 0.247 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848034098 TYNVATZCENTPGC-QYZOEREBSA-N 483.525 0.611 30 20 JCED CCCN(C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 31295854 SUBISGBPEQKVIR-IEBWSBKVSA-N 482.628 0.679 30 20 JCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)c1 515959201 UHGUUEMNSDLGAZ-UHFFFAOYSA-N 462.509 0.878 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O 608910806 OITJTMGWJUPKEM-UHFFFAOYSA-N 452.536 0.522 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CCC)CC1 729257264 YUQMQWQFWJIUGS-UHFFFAOYSA-N 468.558 0.928 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 729673332 ZESSJXXFZATLAT-UHFFFAOYSA-N 490.563 0.424 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1CCOC 838265460 UXZKKQNOTAZCEA-UHFFFAOYSA-N 453.524 0.008 30 20 JCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 914652069 TYPFPAMLHMBAEJ-SJLPKXTDSA-N 477.539 0.911 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cc1 918170533 SPNOSARAONZFBQ-DYTRJAOYSA-N 456.590 0.949 30 20 JCED COCCCN(CCOC)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918467797 LHUPFHCTQVXMNH-RELWKKBWSA-N 454.549 0.949 30 20 JCED CCc1noc(CCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 919515121 WMNUKRJWWNILON-UHFFFAOYSA-N 475.527 0.903 30 20 JCED C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1288518381 KEXBMFHUXBAAAY-HNNXBMFYSA-N 470.559 0.966 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(C)(=O)=O 1314742002 ZXHZKPRFLREXKG-QGZVFWFLSA-N 482.588 0.164 30 20 JCED CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C1CC1 1315196157 LVQLTJRISWLEDG-CRAIPNDOSA-N 474.591 0.907 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](C(=O)NC3CC3)C2)CC1 1322301897 AGDQRRRGEVVWBU-GOSISDBHSA-N 459.572 0.382 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1499329387 QIJYNHLVGRATGO-SFHVURJKSA-N 453.503 0.302 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1502469857 WPQOIQJRDXPREH-GOSISDBHSA-N 457.560 0.861 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1516830499 KJJYJPBULSSSOH-UHFFFAOYSA-N 466.589 0.769 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1519531046 RIHUMXAIJRKKLE-GOSISDBHSA-N 478.600 0.866 30 20 JCED CS(=O)(=O)N1CCN(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1639989953 QCHIBOVSYMWDBU-UHFFFAOYSA-N 457.560 0.174 30 20 JCED CCOc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1696156993 JPUXEJRSUGOWQG-MOPGFXCFSA-N 476.559 0.787 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCOCC1 1741877334 KSPVMLPTDWZYEJ-FGTMMUONSA-N 469.612 0.318 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760300908 OBWQNCSQSBEOKQ-VXGBXAGGSA-N 485.430 0.315 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)C2CC2)CC1 1761546681 DOTALUVCRGHIMF-JXFKEZNVSA-N 452.581 0.902 30 20 JCED COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1768585529 RUCUXXAQQRZKAK-GHTZIAJQSA-N 461.544 0.350 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)F 1768639155 XZZRKHXRSFUJKE-INIZCTEOSA-N 497.528 0.500 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1cccnc1 1779061040 OCBHGKJJNKDUOU-DEOSSOPVSA-N 454.527 0.340 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3cn[nH]c3cn2)C1 1779189330 OGZANUAPTSQXKE-LZVWQHBESA-N 452.515 0.944 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1779337316 RJKYWLPQWZZRMY-VTJXTGGHSA-N 469.629 0.934 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)c2cc(C)on2)C1 1779436293 NFVSADOAMUGHSL-WZONZLPQSA-N 476.530 0.736 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779941133 AYBCZGVVQHRWKO-IVZQSRNASA-N 459.503 0.212 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CC(=O)NC2=O)C3)c(C#N)c1 1780689254 NTRLXBLCLDCIMG-NTKDMRAZSA-N 483.525 0.175 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781859311 QNNMEAKFVKYCNB-WIFRZSDBSA-N 450.492 0.372 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)[C@H](O)C1 1783478666 OWRPHBQVVAVQCD-APAFKAMOSA-N 476.574 0.888 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1)C(C)(C)S 1783777660 JHUATJNRZXPHDS-LMGVVVSRSA-N 486.635 0.141 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2)NC(=O)OC(C)(C)C 1783787449 NIVUWKFFIVFSEW-LRDNONRASA-N 459.565 0.591 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](S)C(C)C)[C@H]2C1 1784541809 SUNXOWOVXZBNAZ-UJCHZGTJSA-N 451.593 0.391 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785518055 YEMAXJKECQURSE-SAHWJRBASA-N 483.562 0.864 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC[S@@](=O)CC)CCO2)C1 1785576490 DPJOUJMEOXKJFO-OZDBCNKYSA-N 469.604 0.892 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785631657 XPGYBWHICCOVBF-ZHRRBRCNSA-N 465.551 0.181 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)C#N)C[C@@H]32)[C@@H](O)C1 1789808038 DUAQBPSHFRDFBR-ATIWLJMLSA-N 464.563 0.744 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1789913880 YLGOXLFNKMTLNG-KJJMTIBFSA-N 486.569 0.973 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1791258961 IJGODVTYWMCFOU-UYLCUJDWSA-N 457.593 0.655 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1792170233 OVVCNYNSUOTOCE-WPVAHCMFSA-N 463.575 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(=O)OC(C)(C)C)C2 1792491412 URHQYNJBVCYYCM-CUHXURECSA-N 464.563 0.738 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C)CC1 1792554885 PSZSPNLHWMTIQN-YRPNKDGESA-N 462.591 0.834 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1793381143 SURXLLRXEZZJMF-COZGXFGHSA-N 471.620 0.901 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077333 DNECAMGTGVIWHN-JJMVIIOLSA-N 456.565 0.152 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)CC2)CC1 1795418011 WTJIXSZSHGSYDM-JHDGKUDLSA-N 459.591 0.603 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H](N)C(N)=O 1796085645 OGBXSRGAHZGOBW-XCDZQEORSA-N 477.606 0.914 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797103683 NWXDAHZJMCOHOT-DACLVMHWSA-N 480.525 0.347 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1)c1ccc(O)cc1 1797627136 TWHYHWIMUPQWGA-PRHHBONVSA-N 466.542 0.812 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2)c1ccccc1 1797876826 FOHPOAYDHRFUHG-AQKHVRLOSA-N 455.555 0.424 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C2(CCOCC2)c2ccccc21 1799070387 NASVZBRFTUGNRV-OPOADAIRSA-N 473.595 0.989 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799324994 VAFLAJDKFTVXRD-NZGUISNBSA-N 490.532 0.715 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNCP(=O)(O)O)C3)c(Cl)c1 1799748975 ABUAEUBIYGHZEY-FVCICTRLSA-N 456.823 0.140 30 20 JCED CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)cc2C1 1800128408 VJWSUOUMRRBXHA-BUMCKDRWSA-N 474.562 0.451 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)[C@@H](O)C1 1801990411 YBDHDCKIUFBYMG-DAWKRRPCSA-N 463.531 0.721 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(N)n1)C2 1802126587 KPBNJEYLMDCBSA-HLPPOEQASA-N 463.560 0.845 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1810287547 BBCXHCVBEKJJHU-QPMQWSBHSA-N 451.531 0.816 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN(C)C(=O)C(=O)O)CC3)c1 1821389174 SYFMNIUUIXWWSM-CYBMUJFWSA-N 471.495 0.792 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822202353 QPDCLCLHMSUXBD-DZGCQCFKSA-N 463.491 0.766 30 20 JCED C[C@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824807966 HNCJPWWIZBZCPI-JULQROHOSA-N 483.641 0.554 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CNC(=O)C(F)(F)F)sc2C1 1826138814 HJYSGTGSJROVRI-WWQCOOJYSA-N 459.450 0.592 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/O[C@H]2CCCCO2)CC1 1826933027 KHVDLGNWQFWQPL-ZYHUGZTASA-N 451.568 0.728 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cnnn3C)C2)C1 1828579985 LJFYSUNXFWASQH-DFBJGRDBSA-N 494.552 0.919 30 20 JCED CS(=O)(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3(C#N)CC3)C2)C1 1828910007 XDWILAILNDZUJW-QHCPKHFHSA-N 488.566 0.787 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829048972 CQPQJWNVMMQAQU-GBXCKJPGSA-N 455.559 0.528 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829055964 SZEXIXAUNOPXGK-BVZFJXPGSA-N 498.536 0.393 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC#N)C2)C1 1829138103 RZQLEUZTHMNGHS-OFVILXPXSA-N 499.568 0.893 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 1829335045 RUGFVACANQANKX-XMMPIXPASA-N 483.521 0.832 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1829764587 ORGQFCXTURZURO-HTEBCRKTSA-N 471.510 0.141 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1829782585 ZUQFXCOGFXGBPV-JOCHJYFZSA-N 471.620 0.861 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1830352431 ISTJYVJKBUXQHU-SSYAZSBWSA-N 493.626 0.577 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831386217 CYCUYWLKFFTPLB-GLDPYIMESA-N 495.573 0.117 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1831412969 KJTFTINVXZBOHN-XPPIMPSXSA-N 450.532 0.769 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1831434154 RGYNYEWVHXBFBE-WZONZLPQSA-N 461.563 0.380 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1831496511 XXNLAFURFRMQDM-NZQKXSOJSA-N 462.616 0.794 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831697211 RBKWKGDSZLOYAB-XMMPIXPASA-N 456.543 0.985 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832496969 KCFVPTZNEXWEKL-KDDBKWRJSA-N 489.525 0.812 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2ncccn2)CCO3)ccc1F 1833168555 AUXXZTRSTDLYLX-HSZRJFAPSA-N 453.474 0.729 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)cc1 1833475274 NRASSPVDKZMUNG-HSZRJFAPSA-N 452.467 0.535 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565339 GQNBOJZSDFKRIU-WMZHIEFXSA-N 495.598 0.269 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833615022 UGBFECZASZSMRR-XIEYBQDHSA-N 472.590 0.345 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c1 1833766891 ZVNNHVYCTGDSQG-IBGZPJMESA-N 470.505 0.481 30 20 JCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)cn1 1834530524 FYOGUTHDSCMVNS-QFIPXVFZSA-N 455.446 0.880 30 20 JCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1834602708 LJCXEBPQHRGCCC-OAHLLOKOSA-N 456.547 0.868 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C2)C1 1835354005 JLLTXFCCGNFGJU-DEOSSOPVSA-N 483.500 0.804 30 20 JCED NC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccccc1 1835816715 LIPFGQROVILGHI-IGUNIBHQSA-N 457.575 0.657 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2)c1cccs1 1835995716 UUKJPOOYGZLKEX-BMOUEYTDSA-N 471.535 0.805 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)s1 1836075161 JMNBAOFUOGRBMY-JOCHJYFZSA-N 455.540 0.960 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccn4)CCO3)C2)c(O)n1 1836163960 PPDUHOPAMLKHQX-HSZRJFAPSA-N 455.515 0.873 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)n(-c2cccc(=O)n2C)n1 1836259880 OKODQKDITKHIDI-VWLOTQADSA-N 479.537 0.363 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837379452 DATMBUDMVJVWMU-QRQCRPRQSA-N 477.949 0.989 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837491518 OWRRTACUVSLDPC-XMMPIXPASA-N 467.526 0.727 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccccc1=O 1837691283 LCABYQPMIAIKLG-SSOJOUAXSA-N 490.520 0.927 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837758862 CEUKGPYPOUZQJC-AMFJNGDOSA-N 471.514 0.707 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838165533 HCUCKTYAVHEEEJ-STSLHBMMSA-N 468.457 0.959 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)c(Br)n3)CCO2)C1 1838378032 YBRKGVKWXDZYBL-QVKFZJNVSA-N 496.358 0.961 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5cccnc45)C3)C2)c1 1838582308 KBAKIDVLNXZFBP-XMMPIXPASA-N 476.493 0.993 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCN(c3cc(NC4CC4)ncn3)C1)CCO2 1839039132 UYASYRIJGRBUCO-MHECFPHRSA-N 483.573 0.637 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4[nH]nnc4C)C3)C2)c(C#N)c1 1839131990 LRNWDIVFVARERK-QFIPXVFZSA-N 454.487 0.306 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1839175021 JTTCROCMAQUHRG-QFIPXVFZSA-N 461.471 0.390 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1839226462 PMXZLKNMXNYZCC-GKAYAJSDSA-N 464.563 0.645 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420421 IEFGYIUOIPFNEI-HSZRJFAPSA-N 471.489 0.924 30 20 JCED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839420883 KRETUCRJGSCQNR-ROTAYESASA-N 451.520 0.926 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)cn2[nH]cnc(=O)c12 1839421459 SDZZQBVNQSPJLE-DEOSSOPVSA-N 494.483 0.726 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c([N+](=O)[O-])c1 1839462582 YNILFQYIOMWZRL-NRFANRHFSA-N 460.443 0.755 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCc5cn[nH]c5)C4)C3)c2c1 1839487759 WDCBZPMYEMHQNJ-QHCPKHFHSA-N 463.498 0.860 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(O)no5)C4)C3)c2c1 1839488471 UKOOWNSFTFIDOA-OAQYLSRUSA-N 452.427 0.512 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839726739 DXYFIYJWXPYENQ-PETUGJSASA-N 485.581 0.117 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839736316 IFAVNMRUSFGXCL-RDPSFJRHSA-N 457.527 0.989 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839872805 MCQXMQYMEOGJKY-YTZAWJCFSA-N 494.589 0.438 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840142974 FRDVVYTZSJISKJ-YZZKKUAISA-N 456.499 0.712 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1840143281 PNEDFZUZGBUUII-ISJRUSPKSA-N 465.547 0.999 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)n(-c2cccc(=O)n2C)n1 1840160148 YBFDWHBBENTEAQ-OPAMFIHVSA-N 475.571 0.268 30 20 JCED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840199533 CVLAYDDZHQQHHQ-RXVVDRJESA-N 451.520 0.881 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1)c1ccc(O)cc1 1840220822 FQFGFOJGIOUDJF-UWDQQESISA-N 453.539 0.874 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840818598 KZESQWJEGUGWBN-QHCPKHFHSA-N 451.483 0.426 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn3C)C2)C1 1840907609 ZAZJYGRWJQSHEM-SBUREZEXSA-N 475.546 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)C)C2)C1 1840909623 YAXHKSJGNDCDBS-CYFREDJKSA-N 480.606 0.748 30 20 JCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)c(C#N)c1 1846561288 KWASQHUUXMOWGL-OAQYLSRUSA-N 464.526 0.783 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1Cl 604032270 WUQMTFFZIQSYPW-UHFFFAOYSA-N 458.905 0.599 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3Cl)c(=O)n2CC(=O)N(C)C)CC1 604269754 AKACOOLSGOHKGB-UHFFFAOYSA-N 488.013 0.319 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(N)=O 608911545 IRRFIXAOEFVJJA-UHFFFAOYSA-N 463.357 0.577 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc(C(=O)NCc3ccc(F)cc3)s2)C1=O 726042334 IAPROCLWIDPMJO-UHFFFAOYSA-N 461.431 0.627 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 727804917 TWOMMANMAJGFMH-UHFFFAOYSA-N 485.566 0.816 30 20 JCED C=CCOc1ccc(C(=O)OCCN2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1OC 729209616 WWGYBVTXVDOESL-UHFFFAOYSA-N 456.499 0.969 30 20 JCED C[C@@](C#N)(NC(=O)COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 765959129 PZEAWITUUGQHSM-FQEVSTJZSA-N 451.501 0.868 30 20 JCED Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 769639283 GGWSKYXDYHWZAF-UHFFFAOYSA-N 494.551 0.577 30 20 JCED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 857837741 OIBYVNLKGALMOQ-HEOKHYPTSA-N 458.519 0.686 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 899882744 QFCXGGINXCGPME-AWEZNQCLSA-N 466.516 0.097 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1315753552 YGQJMTUVDMPJCP-KRWDZBQOSA-N 472.571 0.983 30 20 JCED COCc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1315857934 ZEYSMYKFFQEKDA-MOPGFXCFSA-N 476.559 0.534 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CCO1 1503771884 KNUHTMUUWDOTIX-PMACEKPBSA-N 453.547 0.615 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1519607295 UHFKABVTLIYFOU-LJQANCHMSA-N 459.576 0.667 30 20 JCED CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1540938182 VYCCAEFSIUNAQY-AVRDEDQJSA-N 472.571 0.671 30 20 JCED Cn1cc(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1554336698 JSGQGHVEGCRHEC-VQIMIIECSA-N 466.543 0.419 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(=O)N(C)C 1723954139 RSOUQQZNIANNDX-CQSZACIVSA-N 478.554 0.314 30 20 JCED CN(C)C(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1747536579 SETDPPFBDWXIJU-GOSISDBHSA-N 475.575 0.597 30 20 JCED CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCS(=O)(=O)N(C)C)CCN2C1=O 1748051001 UPUCRBRYAKPXGJ-QGZVFWFLSA-N 458.548 0.264 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777832085 NTNZJZMESFGFQF-MWTRTKDXSA-N 483.529 0.484 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC(=O)Nc2cc(C)on2)C1 1778071680 CHFHCUDXKAQPCF-HJFVRIBHSA-N 473.530 0.684 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1779428476 LWTLVGSDDCCLQV-CXWBOKMPSA-N 450.536 0.556 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cn4[nH]cnc(=O)c4c2C)CCO3)c1 1780175272 KVGZCSLJNUUEOF-XMMPIXPASA-N 476.493 0.969 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1781269779 MYRSRCPZDHBPNN-GAJHUEQPSA-N 483.562 0.601 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781349589 PMITZKGCISNITH-JLHGSKIFSA-N 453.536 0.130 30 20 JCED COc1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1Br 1781617935 ZWNGAOIWRGMFQZ-IBGZPJMESA-N 451.273 0.989 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781903279 UENZAXPBFIMJOY-OXJNMPFZSA-N 495.330 0.829 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783164984 IUOIQHMOKJGSJM-DGGJZMOXSA-N 464.563 0.812 30 20 JCED CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783568333 ULORJFPJHUFYMN-IBGZPJMESA-N 454.888 0.275 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784119737 ZFJCDFRTBKJJID-QQTNTEGQSA-N 488.541 0.211 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)c3cccn3C)C2)C1 1784615403 AGMXKMGCSYQPNJ-OSPHWJPCSA-N 472.542 0.954 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787499392 BEHJVMWGFMNDFQ-HGRLBMEDSA-N 495.565 0.830 30 20 JCED O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1790654195 YHEXOLVJETZDOU-VZVIDEFNSA-N 491.501 0.265 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnn4ncccc34)c2c1 1796275437 KJWJALDSQJRIDJ-YVWYUNDQSA-N 456.466 0.994 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2 1797709961 CUGDZJUNTKXVON-CWQOZTLDSA-N 469.579 0.689 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cc(=O)nc2sccn12 1798415237 TVLBPUZVCSQYNJ-VRSUEAKESA-N 458.544 0.431 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2 1799322818 PMMROIASNOWGQA-DFBDCSAJSA-N 452.552 0.570 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)C2)c(C(F)(F)F)n1 1800524203 UYJFSQDBXRXIMV-OVZMXSCWSA-N 451.405 0.311 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13COC[C@@H]1CN(C(=O)OC(C)(C)C)C3)C2 1802016672 YWTYTPPBIQUDDK-DURIQHOJSA-N 461.559 0.873 30 20 JCED COC(=O)[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2)NC(=O)OC(C)(C)C 1802186016 FOKBKPZRCJNMNA-LXTVHRRPSA-N 451.476 0.169 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Cn2cncn2)[C@@H]1c1cccnc1 1802482361 LVIUAKHEVBXBRH-HMFFFNQTSA-N 451.531 0.874 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1802489191 DEQJAUPZYKRDLF-IWVPBLLHSA-N 487.557 0.789 30 20 JCED CS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1 1802775735 WPZGSEYVEHJIAA-DYESRHJHSA-N 455.492 0.893 30 20 JCED O=C(NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807358131 WVMJNNYBRDHZST-ZCIYQQGVSA-N 474.481 0.844 30 20 JCED N=C1NCCN1CC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810327524 PBZCTLUGDLIPMS-SIKLNZKXSA-N 452.559 0.626 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)/C=C/C(=O)NCc2ccco2)[C@H]1c1cccnc1 1810470693 WAIOQJYTYANHAB-OGFHSXSUSA-N 450.451 0.641 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810488532 YQZJRMLWDJHDEE-UHFFFAOYSA-N 457.491 0.167 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1814212757 ORWQMTQSUUMTHO-DCZWBIAUSA-N 460.531 0.868 30 20 JCED Cc1cn2c(=O)c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)C#CC(=O)O)CC4)cnc2s1 1818512945 RTUODJWGSOIFFC-SNVBAGLBSA-N 457.493 0.835 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819424342 RQCBPFAHSXXECK-MRXNPFEDSA-N 456.503 0.652 30 20 JCED CN1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCN3C(=O)OCc3ccccc3)C2)CC1 1828924985 LBTPIEVEMLIBCU-AREMUKBSSA-N 496.612 0.990 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)C=C)CCN2C(=O)OCc1ccccc1 1829138082 RMLXCYYZSOAPFU-MHECFPHRSA-N 452.511 0.762 30 20 JCED C[C@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC#N)C2)C1 1829226692 NJPSOGNXRYWDGT-FDDCHVKYSA-N 455.515 0.877 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833280822 KHIMIEXVFKVTQY-CYFREDJKSA-N 488.541 0.307 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1833478375 UYEWZRHWTPWBOQ-KRWDZBQOSA-N 468.558 0.866 30 20 JCED N#Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C(O)O)CC3)CC2)c(C(F)(F)F)n1 1834942100 HAYSEHYFVGERFW-UHFFFAOYSA-N 455.437 0.468 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)n5[nH]nnc5n4)CC3)CC2)c1 1834973671 CFMWRHILAHDZLP-UHFFFAOYSA-N 475.513 0.183 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835396841 OHEBEMZVRGRPOR-HSZRJFAPSA-N 465.667 0.826 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1835681207 UFPLLTXMDFQZOE-QFIPXVFZSA-N 475.502 0.652 30 20 JCED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)C(=O)O 1835763156 GVAMYNVTIQWJBH-DYESRHJHSA-N 464.906 0.344 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767568 DSEOHVZOJOBLDU-TUGUMKMLSA-N 465.595 0.954 30 20 JCED Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)c4cc(C#N)c[nH]4)CC3)CC2)c(=O)nc1O 1836171127 GRXIDYHROWSOLR-UHFFFAOYSA-N 467.530 0.343 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380739 DEUHNJWWSGLRCT-AUSIDOKSSA-N 495.598 0.269 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1837443832 RYEAEIBWRXKMRG-ZVWIGDQWSA-N 484.557 0.597 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1837491389 ZGBBSMJGDFKKEU-JOCHJYFZSA-N 462.934 0.899 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1837528272 DDDWNPZXWGXXQO-HLJFKENESA-N 471.514 0.933 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837629933 UODAQEZLIPQULO-DXLWNWQMSA-N 475.502 0.006 30 20 JCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1C 1838275723 LUXKBFBZMMCGBK-PTJKWTKHSA-N 463.535 0.582 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccc(Cl)c1OC)CCO2 1838724780 UIMIOVHAKHRBIV-XSAUMEDDSA-N 478.933 0.672 30 20 JCED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131486 HHEAAWLFTDSHLG-OZWPHOJSSA-N 459.543 0.973 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnnn4C)C3)C2)c(C#N)c1 1839131736 WEUAYWDFZVNGIR-QFIPXVFZSA-N 454.487 0.008 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839384611 LUFIMPFSUATKMU-GCJKJVERSA-N 471.551 0.269 30 20 JCED CN1N=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2Cl)CCO3)CCC1=O 1839422844 PEAJHIIGYBZSIJ-JOCHJYFZSA-N 473.917 0.890 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c([N+](=O)[O-])c1 1839462583 YNILFQYIOMWZRL-OAQYLSRUSA-N 460.443 0.755 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488059 VGKLQXZFUGWKAM-IQMFZBJNSA-N 468.514 0.371 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1839809771 KVIAZWGXCQHIMX-DEOSSOPVSA-N 467.522 0.171 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(C)=O)CCO3)C2)c(O)n1 1839884104 TUIGVMSIZXMKOD-HSZRJFAPSA-N 460.531 0.502 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1839888369 JQVDDXSFVVWWPI-FQEVSTJZSA-N 487.525 0.908 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Br)c(O)cc3F)C2)C1 1840043209 KEVINYHBMQHQKZ-LJQANCHMSA-N 485.262 0.452 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H](C)OCCN3C(=O)OC(C)(C)C)C2)C1 1840157480 QJTAEOCZTDXTSB-NRVIRDBHSA-N 487.619 0.786 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nccn4)C3)C2)cc1C#N 1840763617 IHJREBRVSQANHV-QHCPKHFHSA-N 468.514 0.707 30 20 JCED CN(C)C(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1840788964 GJIZTLMPCDAYGA-DEOSSOPVSA-N 465.510 0.972 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1840958305 ACVAWFZQAOOLRX-BTYIYWSLSA-N 452.529 0.627 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 1847259195 YOYKHOMCVUWJRC-JSJJMZESSA-N 462.547 0.683 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCCC(=O)OC 501765457 YIPOIPKOKKEHJM-UHFFFAOYSA-N 463.943 0.782 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1-c1ccc(C(N)=O)cc1 524268099 SELFJDQIJGLDOF-UHFFFAOYSA-N 487.541 0.930 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1-c1ccc(OC)nc1 524275193 QAQJUOUFOATAFV-UHFFFAOYSA-N 487.519 0.538 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(=O)N(C)C 608855254 DVJHYEIYPPRYMG-UHFFFAOYSA-N 495.605 0.956 30 20 JCED N#Cc1ccc(N2CCC(NC(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CC2)nc1 609001784 NVUKAZLWOLSDFG-UHFFFAOYSA-N 463.546 0.750 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 642723237 HRNRZTGJWNSEJT-UHFFFAOYSA-N 480.568 0.438 30 20 JCED CC(=NN=C1NS(=O)(=O)c2ccccc21)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729815886 ADZDEDLNXWGVRW-UHFFFAOYSA-N 470.554 0.875 30 20 JCED COc1ccc(N2CCN(C(=O)COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 821728111 QIOYITXKZSPELS-UHFFFAOYSA-N 472.523 0.626 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 828101672 UKSWTXLZZSKJLC-INMHGKMJSA-N 499.611 0.861 30 20 JCED CN(C)C(=O)c1cccc(NC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 853670852 VVJNEKNCRVKQMV-UHFFFAOYSA-N 458.496 0.999 30 20 JCED C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 853708997 VAGPAXVRULSYJL-INIZCTEOSA-N 486.554 0.576 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C1 1302468494 IJVRBOGTCMAHIE-IAGOWNOFSA-N 470.621 0.592 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1315654534 QPXKPYCFDCVHBU-MRXNPFEDSA-N 464.548 0.922 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccc(N2CCOCC2)n1 1611659601 TWAMJASHCSMSOX-HOTGVXAUSA-N 462.580 0.907 30 20 JCED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 1696876268 LXOLPWSBOJXOMA-JOCHJYFZSA-N 473.603 0.744 30 20 JCED CCOC1CC(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)(N2CCOCC2)C1 1728917593 XYNKVMDZJLSEOH-WUZYXKQASA-N 461.567 0.415 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1ccn(C)n1 1741937510 CNHBYDCECGFTIM-INIZCTEOSA-N 469.575 0.868 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1CN1CCOCC1 1751240017 YKLQBJJZQMUSMU-XLIONFOSSA-N 489.602 0.498 30 20 JCED Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCNS(C)(=O)=O)n1 1761955007 LVUUZVFOTGJDES-UHFFFAOYSA-N 467.559 0.791 30 20 JCED COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1768585532 RUCUXXAQQRZKAK-WIYYLYMNSA-N 461.544 0.350 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1=O 1771138226 PHFNWOJHSPQQKM-QGZVFWFLSA-N 458.544 0.546 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1778970112 FOTITQSEHBWEDM-CLOONOSVSA-N 498.584 0.583 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CCO2)C1 1778972255 AXEMXFFFSPGAGI-KCYKTTMJSA-N 497.589 0.846 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779402396 MYHKKOJUEZLURO-PUKVZAMJSA-N 497.545 0.524 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1779442542 SZINQIXIBCANEA-LTVDUZJQSA-N 489.554 0.678 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779947335 MIISBDWYNKNLDW-DEOSSOPVSA-N 497.577 0.911 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171164 KMSDBCMESQJHMQ-KSFYIVLOSA-N 478.571 0.267 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)cc(C(F)(F)F)c1 1782033353 BKVFEDSSKZVOSB-ZWOKBUDYSA-N 452.433 0.743 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2)C(C)(C)S 1782113504 OKHKEVHLCKKKOR-ZMOMAAQPSA-N 475.608 0.413 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783135103 TUZLIWQZJSAKKY-AUSIDOKSSA-N 473.599 0.935 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(CC(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)C2)C1 1783470425 MKISSQOXUKXTBZ-XMMPIXPASA-N 475.542 0.942 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cncc(OC)c3)C[C@@H]21 1783529726 XNAFNEWYJOQGOX-ILEIOGKQSA-N 456.543 0.861 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)N1CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C1)C2 1783567889 GPBSUDVKHVIUFV-OIMWQHCXSA-N 461.515 0.692 30 20 JCED CC(C)[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1783762125 DNMFFYMAMCSJOB-AOMKIAJQSA-N 451.520 0.844 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783995367 PKQSSFLBCJJJPW-TXTZMMAHSA-N 470.567 0.653 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)Cn4cncn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090859 YOQCWOQQVVQCDO-HTAPYJJXSA-N 460.535 0.674 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1784369698 RDZZTQDKVLVKSK-RDGATRHJSA-N 478.553 0.791 30 20 JCED C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784861225 DDQHZWFEMCPAHH-LFDJNIOPSA-N 477.558 0.947 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](CC)NC(C)=O)CCO2)C1 1785572107 JJZSWTWYUDSSEQ-PMAPCBKXSA-N 464.563 0.648 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1785576950 RMDHOCWYNWAFGY-UMEGOILYSA-N 491.633 0.369 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1785577638 RHCAKQXYEANDMQ-YCRPNKLZSA-N 478.575 0.643 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787512017 PKVTULSZYQJPJT-OJHXPNSASA-N 463.556 0.618 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)[C@H](C)S)C[C@@H]31)C2 1790689123 YQUNRSPGQILIPL-IWSXDTNSSA-N 464.588 0.920 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791286723 HSOPIUGXEDGVRJ-DFQYRXGOSA-N 495.573 0.499 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CCC4)[C@H]3C2)cn1 1792138337 JOKPGVRZMGISIL-WDSOQIARSA-N 460.556 0.913 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncn3)C[C@@H]21 1792257227 CAFRRUONYTVFOU-BMFAXAFESA-N 457.531 0.987 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1793380092 MOIYPBFXFOTGAC-GQSCTRQFSA-N 475.615 0.566 30 20 JCED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C 1795519047 VKVQWRBAQRMDNF-UJWQCDCRSA-N 494.637 0.945 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N)C(C)(C)O 1795602221 CEBOMPPJWUXUGZ-XMTFNYHQSA-N 495.621 0.522 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](COC(C)=O)OC(C)=O)c1 1797790015 OOTCBOAWNKFRRH-KOUHRCEDSA-N 473.482 0.265 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccc(O)nn2)C3)c(C#N)c1 1799239484 IRQIQRWOPDKZSF-GPVSGQMNSA-N 467.482 0.274 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 1800990050 WHHNZTNFDMOTLK-JOJUJSSUSA-N 469.604 0.776 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1801883885 YRRQQRADFKXDSA-RMRDIRSESA-N 483.612 0.229 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1803549485 YZZRNWNZIPQCCF-JMUQELJHSA-N 455.559 0.290 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)C1 1806003320 PXUKCPKFMVLXEE-SFHVURJKSA-N 453.605 0.928 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807354725 KKIIQDXHVDYPTB-ALKREAHSSA-N 451.487 0.723 30 20 JCED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@H]2c2cccnc2)CCC1 1814048497 RVTCTUISHUUSAO-ICSRJNTNSA-N 459.572 0.512 30 20 JCED C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1820687214 WZJDJVLVOCOFAI-AWEZNQCLSA-N 454.512 0.890 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 1821595136 DEHCLEAOXQMXPC-CMPLNLGQSA-N 450.546 0.896 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825660867 VDEIGUPHELMNQO-JQWIXIFHSA-N 452.489 0.029 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3ccnn3)C2)C1 1828580944 XEWBTWUGZIFPIX-CJFMBICVSA-N 494.552 0.769 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828969777 OGHVOGUDJASLIK-HOYKHHGWSA-N 486.573 0.513 30 20 JCED CN[C@@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3(C#N)CC3)C2)C1)C(=O)O 1828990785 VLDCPBZQPJFPGC-UQBPGWFLSA-N 497.552 0.805 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1829267081 POGZDAQRTPOYMP-MHECFPHRSA-N 452.511 0.762 30 20 JCED CC(C)OCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330979 VYVYUDGLMJWCJZ-XMMPIXPASA-N 471.510 0.952 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1829466931 UIVTYVRIKHARJM-CJFMBICVSA-N 466.538 0.988 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3NC(C)=O)C2)C1 1829773889 YTUYWJUJMWYDMQ-XXXZYALBSA-N 470.526 0.573 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1829796667 CKLYVMAODMOMLJ-DKQKECBASA-N 464.544 0.969 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1829809162 SEQPHGRIYBGRRT-QLVJYEMTSA-N 489.573 0.977 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)n1cnnn1 1830464520 IQMIUXHELJGJMZ-VGOFRKELSA-N 453.503 0.195 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1831209670 SDIORFJWVJBXLD-QHCPKHFHSA-N 453.474 0.890 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2)c1ccc(O)cc1 1831615724 JTPDXRCFCKKJMO-KNOQFWTLSA-N 471.554 0.857 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1831997958 IVGXOWWJLLRADG-JLHGSKIFSA-N 454.568 0.507 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1832458751 ZGKLZTSBMDAJFJ-OXQOHEQNSA-N 459.565 0.205 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1832800507 SFPZHLHPLJEVFF-OAQYLSRUSA-N 472.433 0.572 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1833610719 GLSUFQJHDOMQAG-SFHVURJKSA-N 490.605 0.903 30 20 JCED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n[nH]1 1833824518 LJNGMMYGJNMFJE-HSZRJFAPSA-N 458.515 0.381 30 20 JCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834518161 KQQDIMJAPCUKRO-UHFFFAOYSA-N 474.525 0.050 30 20 JCED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c1 1834672207 HONRNXLHKJLUAU-QFIPXVFZSA-N 468.602 0.655 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756158 MLPKFDUBHHXDIH-YADARESESA-N 487.557 0.887 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)[C@H]2C1 1834767440 QMCCLBGOLMAVPQ-MIVHDCIWSA-N 478.546 0.238 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CC1 1835403794 UDRPRYAKEPGSNO-RUZDIDTESA-N 454.571 0.132 30 20 JCED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)CC1 1835482023 XIEGSRNYCIZYCG-XSICDPOBSA-N 478.638 0.334 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1835674825 FYIRPHKGQAMFCR-PNCHPQGNSA-N 464.563 0.314 30 20 JCED O=C(C#CC1CC1)N1CCC(OC2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1836823531 HKWQCANEJJNACL-UHFFFAOYSA-N 460.556 0.864 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836993264 YDHCRSPHJQBFAZ-CYFREDJKSA-N 473.526 0.661 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1837488347 BIAMZODAIIWFOQ-QFIPXVFZSA-N 462.934 0.899 30 20 JCED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493669 QFEUMCGCOCTOAW-PGRDOPGGSA-N 454.589 0.255 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)C(C)(C)C 1837524877 IGKUKKIYZWARQT-BEMHVRKGSA-N 482.578 0.523 30 20 JCED CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)COc3ccccc3C#N)CC2)CC1)C(=O)O 1837887935 QIKCAJFVRPJIAS-FQEVSTJZSA-N 472.542 0.998 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1838384398 CQDSUGRGTXRNJL-QGZVFWFLSA-N 453.536 0.101 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c1Cl 1838595129 IUPVEXPJARHPMI-OPAMFIHVSA-N 460.918 0.808 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)cc1 1838950575 PKCJDYHFJTUPNA-XMMPIXPASA-N 463.494 0.453 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)c(C#N)c1 1839132602 JZLRILIIDXAATM-DEOSSOPVSA-N 495.492 0.368 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839385664 DMBUBENGGOHREL-RDPSFJRHSA-N 473.526 0.338 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)c1 1839420562 QARVZDCFALDBAV-QHCPKHFHSA-N 460.506 0.490 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c([N+](=O)[O-])c1 1839462110 JQPYDHMJYAANFI-QHCPKHFHSA-N 497.464 0.965 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1ccccc1=O 1839488356 MVHACCLFPOMLSL-NSYGIPOTSA-N 490.520 0.927 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839513558 PBWIIUXIPBKNGM-VPNMEXPPSA-N 499.524 0.934 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1ccnn1 1839712660 ITLXWFNUSZXORL-HTAPYJJXSA-N 454.487 0.246 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839779659 IPVDOQNTCGEORD-UGKGYDQZSA-N 480.970 0.725 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](CCN(C)C)(Cc3ccccc3)C(=O)O)C2)C1 1839810162 HANJVBKLCAWVJM-RPBOFIJWSA-N 471.554 0.341 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c([N+](=O)[O-])c1 1840162936 LHBRBSOVTYNTJD-VBKZILBWSA-N 453.517 0.921 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1840168648 WJHRFQUXGDLPJQ-XMMPIXPASA-N 452.511 0.807 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1840220155 AHVKPMAYIINDDO-LJFZDNNRSA-N 482.541 0.593 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1840806118 NJPUAOCLTKMSRA-HSZRJFAPSA-N 466.579 0.572 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1840818464 DRICWJROQIBUSE-QHCPKHFHSA-N 453.499 0.749 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840886521 NLYJGISIDABTJO-XMMPIXPASA-N 473.526 0.983 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1840912346 DNZZAHOERLIGFL-DQMJNTIXSA-N 489.573 0.960 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1844159108 KHQRXWCIEGUUGV-INIZCTEOSA-N 493.561 0.795 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)[C@@H]2OCCC[C@@H]2C1 1847104179 IISRNTRSLSZUDY-FUHIMQAGSA-N 475.542 0.940 30 20 JCED C=CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 512564794 MMNSUXZDJGXMLZ-GOSISDBHSA-N 483.612 0.501 30 20 JCED Cn1c(N2CCN(C(=O)c3ccccc3I)CC2)c(C#N)c(=O)n(C)c1=O 515591182 QOFNGNYXROWNPW-UHFFFAOYSA-N 479.278 0.523 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(OCCOC)c2)c1=O 515649413 KYUZEDYBMLDEDG-UHFFFAOYSA-N 482.606 0.788 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 603987873 VZCYQNLBRHVJJE-UHFFFAOYSA-N 469.563 0.633 30 20 JCED C[C@@H](c1cccs1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccnn2C)c1=O 608829758 KDPKTDKRXXJBFP-INIZCTEOSA-N 498.634 0.266 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)C4CC4)nc3)CC2)cc1 609437967 RPTUOBRYXIHFRW-UHFFFAOYSA-N 482.522 0.773 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OCCO2 619538644 HJESVYFQBQSBAN-UHFFFAOYSA-N 478.530 0.721 30 20 JCED O=c1c(C=NNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(N2CCOCC2)nc2ccccn12 746491378 CJGAGSQQGNJZQC-UHFFFAOYSA-N 472.483 0.893 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1OC 837284645 CPIKQPJEZVAHFH-UHFFFAOYSA-N 467.551 0.687 30 20 JCED C#CCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 852996881 ISJIYRHWISBCTF-HNNXBMFYSA-N 450.513 0.945 30 20 JCED CC(=NNC(=S)NCCN1CCOCC1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 915926562 VXRNTSNJXKODFM-UHFFFAOYSA-N 497.643 0.692 30 20 JCED COCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1504649611 PVJRHUYIYNQMIU-DNVCBOLYSA-N 456.544 0.870 30 20 JCED Cn1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1 1517427190 SAJCPMVMHVHHEW-AWEZNQCLSA-N 460.424 0.893 30 20 JCED CS(=O)(=O)[C@H]1CSCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1533085555 XPBUPLTVWVBHSV-KRWDZBQOSA-N 457.599 0.905 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 1662842797 VVGCYDGXRANQDX-INIZCTEOSA-N 456.528 0.720 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690220422 YEBAOXGDMVEJIH-AAEUAGOBSA-N 476.401 0.837 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCN1CCCO 1692538990 OJYAGXUQQQMZDU-FQEVSTJZSA-N 481.605 0.856 30 20 JCED C[C@H](CN1CCOCC1)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1692736729 NMVFAPPCHLQRLB-SJORKVTESA-N 459.576 0.967 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(Cn2ccnc2)c1 1692805566 UXTOAVQDBFAIOT-VQIMIIECSA-N 470.559 0.910 30 20 JCED CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1695499702 VZFYGVDVYOESFL-YJBOKZPZSA-N 475.575 0.816 30 20 JCED CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1711213155 XWJZXTXASFUEDO-HUUCEWRRSA-N 454.553 0.776 30 20 JCED C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1712851223 WALTUMFMSLBXDA-IXFSTUDKSA-N 488.614 0.912 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 1749269097 MXOIOUZIEWCMML-GJZGRUSLSA-N 460.988 0.859 30 20 JCED CO[C@@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCOC1 1769773463 KCBQWJLIYPPBML-YLJYHZDGSA-N 468.580 0.547 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1778787433 ZARZAWFTWWNVNX-OXQOHEQNSA-N 450.879 0.720 30 20 JCED CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1)C(=O)C(=O)O 1779005464 PXWMNMFPEINDOB-OAQYLSRUSA-N 451.596 0.410 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c1 1780060029 IBWFZNIQZDHYQB-QHCPKHFHSA-N 462.441 0.858 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781353968 BJDOVXQZVLHIPY-HYFFOGBASA-N 470.567 0.893 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1783459867 XQFRNIOPZLLRPH-ONWGXQMLSA-N 488.585 0.932 30 20 JCED COc1ccc(Cn2cc(CC(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cn2)cc1 1783558254 VRTPGSBESRAMLV-DEOSSOPVSA-N 466.494 0.400 30 20 JCED C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564915 OWBRGRSCWWBXOO-BVZALQNUSA-N 463.531 0.940 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1784196828 PQAZLVQWYVSGAD-ZRDREGPPSA-N 495.621 0.714 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN(C)C(C)=O)[C@H]3C2)c(C#N)c1 1784935171 JYOHEIMIOFTHBV-NYVOZVTQSA-N 456.543 0.957 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785362087 OZKCXYWOQSILQC-VUMVONDWSA-N 454.527 0.690 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1788658080 DUFBZKYIDKERBA-CJBCDRGWSA-N 461.475 0.297 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCCS4(=O)=O)C[C@@H]32)c(C#N)c1 1789843309 FRUDRYLJZDPARG-FIRPJDEBSA-N 475.567 0.666 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1791143134 WCXQNNIQPOGERA-RVMSYBGYSA-N 495.573 0.374 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1791261347 RIMFJXXKOHRYMH-CVYDXHPNSA-N 461.588 0.320 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 1792426447 KEMBHKDWBYZSKR-FKELBAMLSA-N 496.564 0.496 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792577222 CGOJRGJJJSKXPI-OGJJZOIMSA-N 464.563 0.572 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1792778824 UEYLONUAMJAACT-LNWLOANASA-N 475.545 0.807 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794369862 FFPSRUOYKYYFGC-KRXQYRFLSA-N 487.513 0.295 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1794405112 WQOOCBHKHHPSBW-HHWFMCFWSA-N 494.570 0.358 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)N(C(=O)OC(C)(C)C)C1 1795442745 CPONNGMLPWYMMQ-JTJHWIPRSA-N 478.590 0.474 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1796393150 VEVSXCTYXHSOHD-CYGHRXIMSA-N 461.519 0.629 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)C2 1797704925 VWBXGWCOSARSNB-NRVIEEGESA-N 493.626 0.825 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C)CC1 1797840293 GJCGJOWJSLELPL-IYWMVGAKSA-N 461.607 0.789 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008918 OOLIGRLQLJIPNA-HLPPOEQASA-N 478.506 0.991 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798485309 KQPSULRQWAIEEF-LYYGHALDSA-N 466.579 0.745 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1799302808 OQGFPFMWGOXDBQ-ZTENYAIWSA-N 474.514 0.092 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1800024180 NRRDZJPGMSTVNA-ILOCAZANSA-N 489.573 0.920 30 20 JCED CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1800512743 QBPHWTDBVUNARI-IZZQQSIFSA-N 477.562 0.253 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2)C(C)(C)S 1802181641 CILALSWZFYXDHR-JTTNIQEDSA-N 497.618 0.824 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1802185419 VXIOMJOPUHKJTA-CDLJRSQUSA-N 492.573 0.939 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@@H]1c1cccnc1 1802490916 VCLXDZOWSAZSPL-PWPXAWQVSA-N 494.508 0.716 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]3c3cccnc3)c2c1 1812717151 NCLXUIQNIZUPLZ-DVECYGJZSA-N 491.552 0.436 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CCOCCOCCOC)sc2C1 1825769304 YVJJKAZCESPVOG-MWWKQMNYSA-N 480.587 0.983 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCN2C(=O)OCc1ccccc1 1828506056 WEJQGFGUZTYMFQ-DFBJGRDBSA-N 496.520 0.053 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCN2C(=O)OCc1ccccc1 1828969403 DUTPQCMAGLPUTD-CPJSRVTESA-N 483.569 0.445 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829309574 XRPJJBLRXOLHDZ-SBUREZEXSA-N 455.515 0.877 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1829330183 AXMOMHXDYPFNMZ-IEGUWTFLSA-N 457.458 0.885 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829472068 RSDDUOKSQUXVQL-KOSHJBKYSA-N 487.557 0.698 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1Cl 1831019677 KTOOEQUOWMGZAY-NRFANRHFSA-N 462.890 0.734 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(NC(C)=O)cc3)C2)C1 1831392741 NJTPUWKHVYYMEV-UUOWRZLLSA-N 457.527 0.682 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1831396647 ONSPRFAMVUJICK-ZQMYSKGWSA-N 457.483 0.216 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1831402475 IGYQQPRCDJDXQH-BVZFJXPGSA-N 481.505 0.224 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1832455948 DLRFWDFGQWRUSM-HSZRJFAPSA-N 474.583 0.716 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](CCC)NC(C)=O)CC2)CC1 1833076369 ZMLGIWXPWMPKIV-GIWCCYDRSA-N 461.607 0.721 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(NC(C)=O)n3)CCO2)C1 1833334184 DGHVIJUFDPXWSN-JPYJTQIMSA-N 460.531 0.683 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833400292 QQJQREZKBYXSII-PGRDOPGGSA-N 481.571 0.128 30 20 JCED COC(=O)CSCC(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833479179 YEWXLGFSXCWDOK-HZHRSRAPSA-N 467.636 0.936 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4[nH]nnc4C)C3)C2)c(O)n1 1833699215 VQKBNPVUJJMYOR-QFIPXVFZSA-N 456.503 0.716 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834760074 FOUVAVSHMDMXGG-VGOFRKELSA-N 466.535 0.382 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1835119131 LTQCRSAGYDHIEM-REMYHPOOSA-N 487.582 0.657 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CC1CCOCC1)CCO2 1835422318 VMGPTCOMZWZGIV-AMGMZLQMSA-N 453.536 0.789 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835515452 AGAOHRQRKLFQAZ-KRWDZBQOSA-N 470.574 0.240 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1835768142 NSQTWRUSNJYZRP-PZHTVKJTSA-N 484.619 0.664 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836210369 FRYVSSITYVIONX-FDDCHVKYSA-N 492.577 0.594 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CC(=O)N3)CCO2 1836791921 SKZOFSIYRLRYJQ-XMMPIXPASA-N 471.510 0.761 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCO4)CCO3)c(C#N)c1 1836972361 XODYWVZEZYTCKW-VWLOTQADSA-N 495.536 0.859 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1837396737 LLOVHQHRYYLMPM-DVECYGJZSA-N 471.558 0.989 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837428954 OBTKHTDZPHVAGZ-AVRDEDQJSA-N 466.655 0.941 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837443701 GLGXQCPSLIEOQD-LPHATQMZSA-N 488.589 0.215 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837493578 LJLHGEJXEASXOP-XMMPIXPASA-N 457.527 0.485 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837737155 RIDGJNFPYNKGOY-REWPJTCUSA-N 458.515 0.088 30 20 JCED CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1C 1838150057 QEHRSJJBBVMBFT-PTJKWTKHSA-N 463.535 0.810 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838510279 YRKNVAACLCCOBD-OAQYLSRUSA-N 475.527 0.666 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)cc2NC1=O 1838588204 OYBMIRKBCSDUSL-ACUDWXNDSA-N 499.568 0.948 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1c(F)cccc1F)CCO2 1838993154 FKTHETYPQJTGFE-KSEXMQBYSA-N 463.481 0.822 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)c(C#N)c1 1839132272 BZUOEKRLYBWNMS-RUZDIDTESA-N 484.553 0.578 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1839222799 AVUOYBZBYNFLHL-IERDGZPVSA-N 482.559 0.356 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839384322 AWOMVGCYCOWGKQ-RDPSFJRHSA-N 488.541 0.400 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)NC(=O)CS3)CCO2 1839578534 HQAIYOTXLAYCDR-JOCHJYFZSA-N 458.540 0.999 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)[C@H](C3CCOCC3)C(=O)N4)C2)C1 1839808199 NLKDYDZTELPWQH-DHLKQENFSA-N 467.522 0.852 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)CC)CCO2)C1 1839832182 MKODIVPRGXNZQZ-OPAMFIHVSA-N 451.520 0.339 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839887288 VODGFLZFUSWGDZ-PUZWTLIVSA-N 494.589 0.438 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839892561 UDFBYKFLDQITAU-QRWLVFNGSA-N 494.511 0.803 30 20 JCED CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045260 ZUUCGEZMVVADFN-JOCHJYFZSA-N 467.519 0.082 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1840201227 KRATZOCZZVEXGO-YZZKKUAISA-N 499.630 0.473 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1840218608 JUKRROBGIWHATJ-XZOQPEGZSA-N 478.546 0.118 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840252563 XURCDTPIQPHZQP-QQMNAOGKSA-N 494.545 0.117 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1840907252 SHFLYAOTIJWTBE-HOIFWPIMSA-N 453.536 0.130 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1 1840913148 ZUYXEGBTCNHTAY-GAZXMLTASA-N 489.573 0.960 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C1 1842872100 CEGIBLNONONTCX-DLBZAZTESA-N 478.594 0.385 30 20 JCED O=C(Cc1cn2c(nc1=O)SCC2)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301978 SVSKXVGOSDFGQW-QPHXDFOYSA-N 461.544 0.624 30 20 JCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)C3)C1 1847101374 HSTZSJCRLFBREQ-GTQRCTGISA-N 466.604 0.881 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848128333 CZKABHWZEMSCCM-WCVJEAGWSA-N 463.535 0.646 30 20 JCED COCCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 104890499 MQYAJZIJPFIDDB-UHFFFAOYSA-N 458.519 0.564 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c(Cl)c1OC 520763863 FYKQSTWGNMYIKM-UHFFFAOYSA-N 476.942 0.191 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 523256678 QMBBKIITDNUMRZ-UHFFFAOYSA-N 472.548 0.228 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(=O)N(C)C 604270039 NHSDUEFEPLOHPE-UHFFFAOYSA-N 478.521 0.322 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CCNS(C)(=O)=O)c2=O)c1 608913042 PFRJFXGOICVFNI-UHFFFAOYSA-N 498.586 0.609 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 609092055 SDQBGGPBWZQYRS-UHFFFAOYSA-N 465.539 0.793 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 642966554 UTMHTYMAWZACGW-UHFFFAOYSA-N 494.595 0.835 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 728534646 RMERFRPCXOTPJM-UHFFFAOYSA-N 485.522 0.903 30 20 JCED NC(=O)c1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2CC(=O)NC2CC2)cc1 730726222 YWMMXZALGHBJSH-OAHLLOKOSA-N 467.511 0.814 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 916774763 AQKPRTOXRZXGKN-UHFFFAOYSA-N 466.541 0.397 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1 918238712 MIPLPYIGNKYORJ-NKFKGCMQSA-N 451.549 0.276 30 20 JCED CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918278945 JTNYTKLXOZIDMX-BJJKHMRRSA-N 451.549 0.859 30 20 JCED CC(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359638158 NDSILTQVVQRQGQ-UHFFFAOYSA-N 465.562 0.880 30 20 JCED COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1459089634 RTMCPLFORQGGBN-NRFANRHFSA-N 450.495 0.679 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1615973047 PNFPVHVFWUTGFV-WMZOPIPTSA-N 478.600 0.769 30 20 JCED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCS(=O)(=O)N3CCSCC3)C2=O)cc1 1684066323 PEGHDQCVALNVMI-QGZVFWFLSA-N 451.574 0.731 30 20 JCED CO[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1697121996 YOUXIHPAEXXWDK-PXNSSMCTSA-N 489.602 0.844 30 20 JCED C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCOCC1 1706809588 PTDGXRNUCURLLH-GOSISDBHSA-N 489.602 0.531 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)COC)CC1 1722557075 SWLBVLLAUNWWRL-HNNXBMFYSA-N 476.987 0.095 30 20 JCED CC[C@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1727110728 PFJPNOZGWHODNX-DFBJGRDBSA-N 497.600 0.917 30 20 JCED COc1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1730241758 NPLHRFBZBNZANA-OALUTQOASA-N 476.559 0.591 30 20 JCED CCN(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C1CC1 1746314282 YBTHGOCPZMMEGS-KRWDZBQOSA-N 487.634 0.966 30 20 JCED CC[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1763373599 DBCXZMNKMDWJSR-LAUBAEHRSA-N 459.576 0.934 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1766882979 KVIDPVBYOMPWBQ-UHFFFAOYSA-N 497.600 0.871 30 20 JCED CN(C)C(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1768439273 OGOTYGBGUKCUFI-QGZVFWFLSA-N 451.535 0.691 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C(=O)OC)nc2)C1 1778203813 HSOOMAUBKZFCCK-AMQNAFGZSA-N 470.526 0.854 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)CCO2)C1 1778980153 RDSVVLGWMVVUEG-KOAQGZTJSA-N 481.590 0.617 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1779072269 IFPDNDJJOWLMQE-OFNKIYASSA-N 457.483 0.805 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779344254 PXPGLJZJURNEMG-JHPLOVCFSA-N 461.519 0.898 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)c5n[nH]cc5[N+](=O)[O-])C4)C3)c2c1 1779387391 SRFIYONDZXGCNI-FQEVSTJZSA-N 450.415 0.823 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780330724 FLPZURXIQIUVNJ-MBSDFSHPSA-N 471.514 0.908 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(N)=O)CCO2 1781165089 DPROVSHKYQZFAU-YTZAWJCFSA-N 493.605 0.960 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)[C@@H](O)C1 1782009654 SEMQMESPPTYMTA-NDBKNAECSA-N 493.557 0.206 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CN5CCCCC5=O)CCO4)C3)c2c1 1782197628 BAAYHOFNNZQWSW-QHCPKHFHSA-N 450.499 0.891 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783159934 ZKQYQGWSGSAGLA-PONJGIIJSA-N 450.536 0.422 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)[C@@H](O)C1 1783478440 JIJWGOLBMYECBK-SXYSDOLCSA-N 475.586 0.997 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1783504892 VJUCMNYPUQARAA-CLLPOLLNSA-N 491.585 0.737 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784012443 SSSFFYXKYVWEPU-RPWUZVMVSA-N 495.573 0.698 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@@H]21 1784785901 JHUHTZPCRKSEDT-FJIDUMEYSA-N 487.619 0.870 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4C(=O)C=CC4=O)[C@H]3C2)c1 1784804591 FNSKJTWHPMPEIM-IEZWGBDMSA-N 454.458 0.606 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1785573135 RCRUBSQCPSPFKC-MWTRTKDXSA-N 475.546 0.789 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785783770 DUMKEEDYZHGBSV-IWFBPKFRSA-N 485.585 0.592 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786698497 PVELXXVYMUIPOG-QAETUUGQSA-N 450.536 0.546 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCCNC5=O)[C@H]3C2)c1 1788255906 ASNYQAHANGLRGR-BPXKWBHBSA-N 492.536 0.804 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)n1 1788638753 BKFHWOBRSJDCIF-ACRUOGEOSA-N 484.597 0.965 30 20 JCED Cn1c(=O)c2c(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C(C)(C)C#N)C[C@@H]43)csc2n(C)c1=O 1789702559 PSMFUKTXTZCLFZ-BPUTZDHNSA-N 487.582 0.371 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789764206 CWCWWAZACQOECJ-DEPCRRQNSA-N 459.591 0.649 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)C1 1789810708 DDOGXESGTXFSOG-JCECYMMASA-N 450.536 0.498 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C2 1793592778 SSVJVQRSGHHFIB-APAFKAMOSA-N 466.579 0.960 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794088133 FQLBXHPJVLQORU-FZKCQIBNSA-N 461.519 0.093 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)[C@H](O)C1 1795081745 NRLOYPDZOQXMRS-PZPPHJHLSA-N 450.536 0.498 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)[C@H](O)C1 1795416396 MMWYTVCAHNMDTQ-FSNPWBFUSA-N 450.536 0.498 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)cc1 1797744022 YTNICORZUANWTF-BBTNMNAHSA-N 455.559 0.786 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccccc1-n1nccn1 1799671036 LTULXDZESAGDSN-IQQHRWIYSA-N 468.514 1.000 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C(F)(F)F)nc3ccc(F)cn13)C2 1800779014 KTNYMWROIWBYTN-CULMDFNYSA-N 468.363 0.783 30 20 JCED CCOC(=O)c1nn(-c2ccccc2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1C 1801885485 FZGBHTFAZRMZAG-GPVSGQMNSA-N 494.504 0.649 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCOCCOCCOC 1802097215 ZZOWNBRGEIGJON-LZYMFGRRSA-N 467.563 0.179 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1802140796 KYIYXLSQOSJNJL-XHVNAKISSA-N 497.614 0.623 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1803544340 ITZFLCXRUXEYQV-ZAWLATJESA-N 450.561 0.454 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1804468294 GXMZJKNIRSIIMB-FCGDIQPGSA-N 472.542 0.943 30 20 JCED N#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806871585 MWHUHFWILYCBSY-UGNRZPKXSA-N 484.582 0.571 30 20 JCED O=C(NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807353196 INSJLDKTRICFCG-ILXXYDCESA-N 477.529 0.604 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1810279282 SLPHNMRRMVXDTD-UZBDZYNWSA-N 455.519 0.157 30 20 JCED N#Cc1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CN(CCO)CCO)n[nH]2)ccc1F 1822027003 YLYHBCVLFAXMTN-FQEVSTJZSA-N 472.521 0.942 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822202049 BLNYXAMEOKGUKV-HUUCEWRRSA-N 463.491 0.766 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)O)CCN2C(=O)OCc1ccccc1 1829321462 FSHRQHKYJQJJGG-STISWTSRSA-N 484.553 0.678 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1ccnc1 1829330171 ARFYUMCSJPFGQK-KBMIEXCESA-N 493.520 0.984 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1)c1ccccc1 1830415411 SWTSDGSBAIQWJX-XPIZARPCSA-N 451.545 0.858 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)c1 1830457581 BHLOQVAPMZBIEM-RUZDIDTESA-N 477.521 0.755 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccc3C(=O)OC)C2)C1 1831387733 JXGRKURAOZPRMR-KBMIEXCESA-N 472.538 0.901 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Br)c(CC)nn3C)C2)C1 1831393021 JEKVHUDIGBJSPW-BTYIYWSLSA-N 497.390 0.853 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1831412532 RRDVSVHYZLOYLF-REWPJTCUSA-N 452.596 0.062 30 20 JCED Cc1onc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1C 1831977205 CQWXEZDJUBSXPD-MYRHLRDYSA-N 450.492 0.890 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832353920 MNWLGJGESSMHED-KHCICDEESA-N 463.575 0.825 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 1833771969 MJORYXBZGGHCMJ-NRFANRHFSA-N 471.602 0.956 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cn3ccc4sccc4c3=O)CC2)CC1 1833803520 NIVVHMBAUKOTKS-UHFFFAOYSA-N 470.551 0.723 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834753855 RVERNTRYMOATMI-TYZJWPIRSA-N 486.591 0.018 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cscn1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768621 GWFHIZDSBVKGDJ-VGSWGCGISA-N 493.586 0.949 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835210214 MURGHBDOWUSTAT-QHCPKHFHSA-N 483.562 0.819 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)c1ccc(O)cc1 1835312464 ZKMSYKCXDFNGFF-DZRGJMJISA-N 469.538 0.624 30 20 JCED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)c4ccc(C#N)cc4)CC3)CC2)CC1 1835482103 CMNMIZWHUMZYGI-UHFFFAOYSA-N 452.603 0.991 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1835681012 RQRAJUVKROPQFA-GOSISDBHSA-N 473.456 0.175 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681121 QEUMNSMZFNNBOC-CLOONOSVSA-N 485.585 0.543 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c(C(F)(F)F)n1 1836320811 PRDWMXFHXOCCIJ-SZNDQCEHSA-N 495.458 0.568 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1836472758 XKVHFLOJKDLNBU-KKSFZXQISA-N 473.592 0.248 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CCN1Cc3ccccc3C1=O)CCO2 1836593725 NECMSKFIWRRGTG-RUZDIDTESA-N 451.523 0.902 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1837401137 URBLMMSKMCTWMT-YKSBVNFPSA-N 469.542 0.910 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1837405237 KKINTTDPJRWGSO-CPJSRVTESA-N 473.570 0.754 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837680529 NSPIOZGCMQDJBJ-UUOWRZLLSA-N 472.542 0.698 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138810 PHXPRVSWRSXJPW-MBSDFSHPSA-N 483.562 0.022 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)c1ccc(O)cc1 1839165553 OHCSQCGFQOKNIG-FPGHNAPASA-N 457.527 0.480 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(CC)CC3)C2)C1 1839176009 QNBVRZULMJYKME-QHCPKHFHSA-N 451.564 0.684 30 20 JCED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486265 QCTPYWOUWXRZRR-XXBNENTESA-N 455.515 0.912 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839633662 OAQHAJQHRBLSRJ-UTSGNWPNSA-N 454.527 0.247 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(I)c(CC)nn3C)C2)C1 1839808138 TWVCWPBDNRGGOD-GOSISDBHSA-N 486.310 0.290 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(F)(F)F)cc3S(C)(=O)=O)C2)C1 1839809067 CXWLLDFTEKAAPH-IBGZPJMESA-N 474.457 0.812 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1839842676 CWBGAQOKEPYIBP-HJPURHCSSA-N 471.514 0.961 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1)c1ccc(O)cc1 1839865689 PPVDISGUDDMZHZ-CYFREDJKSA-N 457.527 0.611 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)(C1)C2 1840004993 AJDQXQYUSTYBOV-XPPIMPSXSA-N 462.547 0.068 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OCC(F)(F)F)n3)C2)C1 1840041025 LKLWCINWFOJOEJ-IBGZPJMESA-N 471.388 0.181 30 20 JCED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840199393 YUCZVTHMVLGLAP-PGRDOPGGSA-N 454.589 0.255 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840289850 PEXPBBJIRXPONS-QVKFZJNVSA-N 450.492 0.283 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840571908 WNJHQUIHGPDANZ-NBGIEHNGSA-N 492.617 0.701 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840820120 ZYEHOBMQYADMDI-LJJIRUAOSA-N 486.525 0.922 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C)n3)C2)C1 1840906372 AEGDEDXLJFPLRA-HOYKHHGWSA-N 489.573 0.715 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)C3(O)CCC3)C2)C1 1840906900 LFGYIYXOKJAFQZ-AXHZCLLHSA-N 493.601 0.911 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cnnn2C)C1 1842133824 KQAFWWOBOYWHMU-OAHLLOKOSA-N 491.549 0.438 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842874705 HBIAGXBGAYPXCU-MRXNPFEDSA-N 486.506 0.611 30 20 JCED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1)NC(=O)OC(C)(C)C 1845811048 FVZZNDXXTKVRSU-HNNXBMFYSA-N 466.535 0.592 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1846561853 WFKWUBLZQAEMBJ-LJQANCHMSA-N 450.499 0.611 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccnc1C(N)=O)C2 1847069844 AKXXUWRTZLRVFH-MRXNPFEDSA-N 455.515 0.914 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1847102634 ICFWLLMCYKBHPZ-RBUKOAKNSA-N 470.574 0.483 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)C1=O 513246389 VYGUQTFZHQGSJY-MRXNPFEDSA-N 462.528 0.489 30 20 JCED C[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(=O)N1CCS(=O)(=O)CC1 514370296 XNKBSDOZZQIIIA-AWEZNQCLSA-N 475.527 0.784 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 522537455 JGUNOEATWKYISL-UHFFFAOYSA-N 466.494 0.403 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccc(OC)nc1 524233540 HKEJFHXDJBGLFK-UHFFFAOYSA-N 450.520 0.877 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(OC)nc1 524275300 WYFUGJHKVVNYJE-UHFFFAOYSA-N 457.537 0.333 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 592993729 USTBCSBMDNUQQU-UHFFFAOYSA-N 454.487 0.230 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc3ccccc23)c1=O 604269952 AADLNRHLCDOHRM-UHFFFAOYSA-N 482.587 0.575 30 20 JCED COc1c(Cl)cc(Cl)cc1C=c1sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c1=O 727164983 UNIQUCMFPWXLKV-UHFFFAOYSA-N 473.363 0.801 30 20 JCED CCN(CCC#N)C(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 728718116 BLAGTQCAQJYMSQ-CQSZACIVSA-N 462.322 0.394 30 20 JCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCc2ccc(C(=O)NO)cc2)c1OC 746264139 YPRRAZOTSZTKBC-UHFFFAOYSA-N 479.511 0.774 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 886422692 XCPPFEOOLDOAQC-ZWNOBZJWSA-N 478.321 0.032 30 20 JCED C[C@H](C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N1C(=O)CCC1=O 919259859 MQAYPUBQWDFXKC-CYBMUJFWSA-N 455.427 0.536 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1301044655 KMHNSKVJTJJUMG-ROUUACIJSA-N 489.042 0.912 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 1314923570 MEXMLOKYIGCJFL-XXBNENTESA-N 487.630 0.991 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CCO1 1315014391 WIHQHAZBMQSIHL-HXUWFJFHSA-N 466.590 0.794 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC(F)(F)F)C1 1316356934 PGEYPJREQVOLOW-AWEZNQCLSA-N 493.512 0.420 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)OCC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 1318049967 JJFKPDVTRBNMRH-YZGWKJHDSA-N 489.550 0.649 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCN1CCCO 1360676988 YZGPQCMOZOGMMF-SJORKVTESA-N 453.613 0.865 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1512357450 UJPYYSPYDHKRQW-NCOADZHNSA-N 469.612 0.505 30 20 JCED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H](C)O1 1555406511 TUMILZDPGVXPFL-YLJYHZDGSA-N 470.530 0.828 30 20 JCED CC(C)(O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1597809012 KWFOIJNCXHDAHB-QGZVFWFLSA-N 459.576 0.934 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1615973042 PNFPVHVFWUTGFV-FUHWJXTLSA-N 478.600 0.769 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCC[C@H](O)C2)C1 1620171094 SLEXRZAFSGVDSR-BZSNNMDCSA-N 452.581 0.902 30 20 JCED CC(C)OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723722455 HHXDAURYPLDRPF-MSOLQXFVSA-N 467.596 0.213 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCC(O)CC2)CC1 1741988464 QQJXLYNNHFQMRU-LJQANCHMSA-N 495.650 0.588 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC1CC1 1751096380 QITBUNKWNFXCNP-HOCLYGCPSA-N 474.609 0.174 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1779134946 SCPORLNGCXMULZ-RHUWMCOTSA-N 460.512 0.641 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138516 YTWGKSJZARPDLA-DGEAWOGYSA-N 481.546 0.225 30 20 JCED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1779271545 NSIQNONGMCJYSG-ZDPZECHZSA-N 455.519 0.709 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1782668116 QPGOVNGFWVASDL-VORNAUPZSA-N 453.499 0.742 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)c2n1 1782885723 KLXAAQUKFFAOSJ-LRTDBIEQSA-N 491.574 0.275 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783150997 JXZUDPIAVNPHRI-GAJHUEQPSA-N 464.563 0.779 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@]34CCN(C(=O)OCc3ccccc3)C4)C2)C1 1783515074 XNSBHZWSYZMDFJ-GKBBYZSKSA-N 495.532 0.953 30 20 JCED CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783556329 QIBSEEDQUFGMFZ-OAQYLSRUSA-N 467.494 0.644 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)[C@H](F)C1 1783558189 POOQGEHWQLHVFM-XCGNWRKASA-N 467.494 0.499 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3cc(Br)ccn3n1)CCO2 1783565064 PACJBFXPAWDAJW-IBGZPJMESA-N 461.272 0.628 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1785514676 IIESUUAWAFXKEN-KKSFZXQISA-N 452.508 0.576 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4cnnc4)cc3)[C@H]2C1 1786768636 MGCDBEOLFBBWAS-VMCVYSOCSA-N 464.526 0.719 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788632587 RMTIEVZODARSPQ-TUFLPTIASA-N 478.542 0.160 30 20 JCED O=C(O)c1cnncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1788888645 NXQSDZIHOXUTNK-GFWFCBDLSA-N 461.475 0.297 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4CCOCC4)C[C@@H]32)ccc1F 1789907323 QTLDTIOUQHXYMI-VCOUNFBDSA-N 458.534 0.942 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCS(=O)(=O)CC4)C[C@@H]32)c1 1790225523 SWSPZKOJINWJLD-QRFRQXIXSA-N 478.546 0.021 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cccc([N+](=O)[O-])c4=O)[C@H]3C2)c1 1790654867 JGHVEFDHUQFWKH-BJLQDIEVSA-N 465.466 0.922 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CN(C)C3)[C@H]2C1 1791793229 OYQYWKXPQWBXOQ-KANFNMMFSA-N 450.580 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1C)C2 1792484224 IWXQOUCQZHHAEX-FSBAQIMFSA-N 452.555 0.491 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1792795485 QOJJKIDTCOMZOO-RHZFDQMVSA-N 481.615 0.651 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)c2ccccc2OC)C1 1792811506 CXZNTRTWORWGJG-NSAZKJPHSA-N 469.538 0.395 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2c(Br)cccc2n1 1797574256 OWRSHZOGJWZYLJ-KSPBDQMDSA-N 461.272 0.388 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncnc1[C@@H]1CN(Cc2ccccc2)CCO1 1797994932 FLQVHZBYDRSZJR-MNHFLQJXSA-N 475.549 0.887 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2 1799303571 IQSRBJJHTYIKLY-XEMDLRDOSA-N 453.499 0.980 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1799391210 HNAKQHJFBMFTAK-ZXFNITATSA-N 481.513 0.575 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799641935 KIGZKJPSJHKDKD-PLACYPQZSA-N 457.483 0.451 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1800716702 AJKRJBYDRKOGEK-FLIUJYPFSA-N 461.559 0.727 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1802124619 CMYIJISETKJAGD-CYGHRXIMSA-N 485.541 0.300 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)NC(=O)NCC)[C@H]1c1cccnc1 1810231761 DHYPCCAPQVSCLC-LMLBSEAXSA-N 456.547 0.653 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810357771 OZSXIZOVSIPGTB-PBXXJUDPSA-N 479.537 0.689 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1812341125 BEUIUVKFDGBAQH-WIYYLYMNSA-N 451.531 0.626 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815329603 DASSOAWLWULIEC-OWGFIJSYSA-N 469.531 0.572 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(N3CCOCC3)cn1)CC2 1825663461 HGPCMBQSUMMSOG-CYBMUJFWSA-N 455.496 0.689 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCN2C(=O)OCc1ccccc1 1828627452 BVLNJCCSTHCUGQ-XMMPIXPASA-N 465.510 0.680 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)no1)CCN2C(=O)OCc1ccccc1 1829157427 DZULFUSUIROXBQ-QHCPKHFHSA-N 482.449 0.534 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829205807 DOBAVEPZGRCVHQ-AOJNWGRGSA-N 482.581 0.965 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C3)C2)C1 1829661202 OVNZZYJZQISRQS-VGSWGCGISA-N 453.536 0.295 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Cl)c(CC)nn3C)C2)C1 1829763988 GUAPBNYAPRTLEC-ICTHTSFCSA-N 479.965 0.564 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1829771532 UOMYWQBJWSWFMS-KIEWMECHSA-N 454.527 0.338 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c(O)n1 1829947978 DOYXUOQZONSKEV-OSPHWJPCSA-N 472.542 0.502 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)c(O)c1)CCO2 1830243284 HODDFQPDXKUYMA-WNWNSBFKSA-N 473.526 0.258 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1830835800 CMNLMUKRLXCAOR-VWLOTQADSA-N 482.537 0.608 30 20 JCED COc1ccc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(OC)c1OC 1830888651 YNOYPXLSHBZNDK-COIATFDQSA-N 488.493 0.270 30 20 JCED CN(CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC2(O)CCCCC2)CC1)C(=O)C(=O)O 1831165509 PMKAVCPESPKSDE-LJQANCHMSA-N 461.559 0.848 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csnn3)CCO2)C1 1831756125 LZJLBZIUHXLQCY-VFNWGFHPSA-N 479.559 0.525 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832425009 YMNXIGJOMRJEEG-PGRDOPGGSA-N 452.552 0.646 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(N5CCOCC5)cn4)CCO3)C2)CCC1 1833617080 AJTHASYDUGNXBA-DEOSSOPVSA-N 469.542 0.682 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C3)C2)c(O)n1 1833699780 CNCFCJWUXSPSLF-MZNJEOGPSA-N 489.573 0.683 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2)NC(=O)OC(C)(C)C 1833886616 ZNYVZAQGBACDFS-HXOBKFHXSA-N 492.577 0.745 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834329073 MVWJDYYVDWJVOF-UHFFFAOYSA-N 486.573 0.321 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4c(Br)cc(F)cn4n3)C2)C1 1834766893 CPXOVWOCHSCRPB-SFHVURJKSA-N 481.282 0.615 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1835674896 RSCOOXRSXBUBJN-QHCPKHFHSA-N 454.531 0.866 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677440 IJSNWSDAPNXVSF-MBSDFSHPSA-N 458.563 0.620 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)n3nc(C)ccc3=O)CC2)CC1 1835812400 DIOWBFSULJUBOZ-IBGZPJMESA-N 471.602 0.897 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CC)NC)CCO2)C1 1835919457 UDRPNMAXWPJCRB-MCJPXMOYSA-N 480.606 0.910 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1noc3ccccc13)CCO2 1835977537 FTDUOIDGYIPRIZ-IBLIISRWSA-N 468.510 0.685 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)o1 1836025601 OHPCTAOSZCZIDK-QFIPXVFZSA-N 457.462 0.630 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837135424 GTUGNBDTKULGGR-CMJOXMDJSA-N 457.483 0.483 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1837283933 PJNODUWUHSAGAO-UHFFFAOYSA-N 459.547 0.980 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837444027 WRBAQUAPTNSLGC-YGPNGPECSA-N 455.519 0.500 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837489493 JLXXJQXKGBSTTM-WIOPSUGQSA-N 456.539 0.875 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1)c1ccccc1 1837612326 CEBAFJRSMLJHDA-WATLYSKOSA-N 453.539 0.919 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837655728 AOIWFQZXJOREAX-FDDCHVKYSA-N 462.547 0.334 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncnc3C)CCO2)C1 1838100145 VWJABZQDLZBWAM-CYFREDJKSA-N 487.557 0.772 30 20 JCED O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)CN1 1838404453 QMJMPJACOQECRN-DMGJQLCPSA-N 450.536 0.650 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C)nn4C)C3)C2)c1 1838580777 SAVNWNPZFPVLSX-QHCPKHFHSA-N 453.499 0.993 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])CCO2)C1 1838600820 CVXMIVHRXVNQEP-IVZQSRNASA-N 477.470 0.417 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1 1839130836 WRIRHEOPVQJLHL-WZONZLPQSA-N 465.547 0.729 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1839173962 XWFGUPNTPWOQFS-RUZDIDTESA-N 498.536 0.745 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)c(OC)c1O)CCO2 1839375910 ROOFIRJGQQGIRR-IBLIISRWSA-N 489.525 0.338 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839436915 UYTAIXVNKLTMBD-PODSUIKTSA-N 481.557 0.809 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCO2)C1)n1cnnn1 1839443577 PKADDWSEDQIMCP-VBKZILBWSA-N 493.446 0.895 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839652637 PDYCICARZMDFBL-QHCPKHFHSA-N 473.599 0.431 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839668557 ZFGJMVFXTDHJPA-HSZRJFAPSA-N 486.912 0.723 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2ccnn2)CCO3)c(O)n1 1839706374 KYMVTXMTGVGXSR-GAJHUEQPSA-N 470.530 0.829 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1839844189 FJCNIZLNKZAYEQ-YBJWPOLQSA-N 481.590 0.883 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C[C@@H]2OCC[C@@H]21 1840035915 KIFPNFNUHAECBS-RAZUEPIFSA-N 492.573 0.771 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)C1 1840172903 OUXQXAMAYXCZHO-QHCPKHFHSA-N 470.530 0.212 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1840173163 FXNISJKNXBSFOB-IUKKYPGJSA-N 467.563 0.637 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1)CCO2 1840316163 GFLJPTXKOQVAHA-REWPJTCUSA-N 475.567 0.238 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@H]1CCOC1)CCO2 1840589098 YVCMTXXCGKQJIE-XAKLVNHLSA-N 453.536 0.789 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)NC=O)C3)C2)cc1C#N 1840763591 GLGNWPPBFDFHGU-HXOBKFHXSA-N 458.515 0.550 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840835364 KDHIXCOKXMBIMT-WZONZLPQSA-N 463.531 0.339 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C)C2)C1 1840909567 WHSBAYMPFGUWOT-FDDCHVKYSA-N 466.579 0.311 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C1 1841429303 VOOWBPHYOSCCBM-PTZVLDCSSA-N 450.536 0.324 30 20 JCED CC(C)(C)OC(=O)N1CCC(CNCC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CC1 1842942528 GEBSAXCPCLCBNU-UHFFFAOYSA-N 462.547 0.515 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)c1 1844299672 KBLWLKYPKNHNQV-YPKZHZFPSA-N 450.517 0.831 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1846282465 PQRJESFOVCSXGX-IBGZPJMESA-N 494.556 0.884 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1847100435 KHMKVOWKZABPSV-FYSMJZIKSA-N 471.558 0.867 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)NCCC#N)CC2)cc1 11674419 QXIQZPUAJMWZMF-UHFFFAOYSA-N 450.517 0.181 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCCCN2C(=O)CS/C2=C\C(=O)OC)c1 211381137 BRAHZZINAIJKLM-ATVHPVEESA-N 452.510 0.735 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cc(C)c1OC(F)F 514523017 UXUKXLDGRUIADV-UHFFFAOYSA-N 492.548 0.617 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1C1CC1 515624030 HXUJUKJEWKUXSX-UHFFFAOYSA-N 496.589 0.357 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1ccccn1 523862781 IFFWHRFTAJTMLK-UHFFFAOYSA-N 496.614 0.979 30 20 JCED N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O 589157204 LZBJOCFEPMRVIS-UHFFFAOYSA-N 474.477 0.501 30 20 JCED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 603890741 OCYYYZGNKSXDKD-CYBMUJFWSA-N 488.360 0.860 30 20 JCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 604146403 UNZWLNJMLYFWBQ-UHFFFAOYSA-N 476.493 0.977 30 20 JCED CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(N)=O)c1=O 608912637 YWTBTDMZXNUWIH-UHFFFAOYSA-N 466.519 0.066 30 20 JCED N#CCN1CCC(NC(=O)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 609342074 MIABTHCQOZFTQB-UHFFFAOYSA-N 459.572 0.854 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 726869847 XUBLDYXCPITFKI-WMZOPIPTSA-N 463.604 0.988 30 20 JCED Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCNS(C)(=O)=O)c1C 727813524 LVLWDZLMRKGIGZ-UHFFFAOYSA-N 485.591 0.195 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c1 729502408 HOYSZVDXDJAXSA-GOEBONIOSA-N 458.558 0.732 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(F)cccc2Cl)c1=O 729673127 UCCOYTBAOWNCDB-UHFFFAOYSA-N 483.974 0.872 30 20 JCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 731125983 PBIBCQLJVWXMIC-UHFFFAOYSA-N 452.492 0.930 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N(CCC(N)=O)c1ccc(F)cc1 753421069 XCZQMOXJGWPJMX-UHFFFAOYSA-N 462.459 0.427 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 811832903 CNZQRVRRVQGJAX-SFHVURJKSA-N 482.580 0.713 30 20 JCED COc1ccc(CCNC(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2C2CC2)cc1OC 839378498 KJNXMLRNFYXRGK-UHFFFAOYSA-N 479.562 0.857 30 20 JCED CC(=O)N1CCC(NC(=O)COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 897648355 VQNGXPFMXLHAQZ-UHFFFAOYSA-N 450.517 0.176 30 20 JCED CCN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1295074316 VVMOSBCJIALXFU-OAHLLOKOSA-N 453.569 0.219 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCCC(=O)N(C)C)CC2)c1C#N 1492727196 KPKLLJBRDYLWOT-UHFFFAOYSA-N 482.593 0.623 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1547748268 VJONOPUFERUECX-INIZCTEOSA-N 481.623 0.903 30 20 JCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1552715428 YUEJDXPUJAJFSS-UHFFFAOYSA-N 477.529 0.794 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1711418521 ZZBHOTYCUNWUJY-HXUWFJFHSA-N 461.523 0.799 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1723935994 VBJGXXIMBPWRNO-YWZLYKJASA-N 463.539 0.989 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CCO1 1748211342 YZKVCZHIIWVBIR-YLJYHZDGSA-N 453.547 0.736 30 20 JCED Cn1c(=O)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nc2ccccc21 1777888303 CIEUOIXSXNOVPD-XMMPIXPASA-N 466.542 0.659 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)Cn4cncn4)C3)C2)c(C#N)c1 1779218628 ABMNPVPNBJTZKQ-HXOBKFHXSA-N 452.515 0.867 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780695448 HVBJTHDKZPASOH-FDDCHVKYSA-N 458.515 0.887 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)n2)CCO3)c(C#N)c1 1781172413 PBWPSOCRLYWMQJ-QFIPXVFZSA-N 453.455 0.454 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1781264326 VCTDYLSAEMNBGA-SANMLTNESA-N 497.548 0.941 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)CCOCCOCCOCCOC)C3)C2)C1 1781379873 GUWKBOLDFKSVGQ-HSZRJFAPSA-N 454.564 0.869 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(CCO)CCO)C2)cc1 1781836110 PWVHJJKGUSLBQZ-RCZVLFRGSA-N 472.586 0.291 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cnc4c(O)nc(NC(=O)C(C)C)nc43)C2)C1 1782886332 QBUMHQYFPIUKTR-HSZRJFAPSA-N 483.529 0.370 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ncccc3OC)C[C@@H]21 1783529441 NJYPFQVCZQRZCN-VWZTXQRKSA-N 456.543 0.861 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C[C@@H]21 1783530141 HSBXCSLFIDLWAV-VBNDLKKDSA-N 489.594 0.471 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C[C@@H]21 1783530553 DUKSVEHKXWPMAN-FURZOXEASA-N 469.542 0.038 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783678836 BDMUFPNAWGGTRI-SIKLNZKXSA-N 458.552 0.104 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)S)C[C@@H]32)cc1 1784123452 FGHYAKNNWAQTQF-MGGVOPSTSA-N 469.629 0.960 30 20 JCED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1784449687 UFMXFZVGANXNMI-LWXWQKJCSA-N 454.570 0.901 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784540067 WLLITJFIPHTWMP-HTAPYJJXSA-N 460.535 0.415 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(I)c(OC)c3)[C@H]2C1 1785772364 BSRYPYCAVFFSPG-WHOFXGATSA-N 469.279 0.921 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)[C@@H](O)C1 1786367440 LVDCIUVHMUBLOF-AQBJMCTPSA-N 464.563 0.888 30 20 JCED COCc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787721917 PLINWFDBAUVNLB-MREOJOQOSA-N 450.492 0.943 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1788565958 YKMJRKPZSKWWBK-OQRYQMPQSA-N 471.558 0.797 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1788639677 RNSVVGIPENAFCP-GIUOSPMZSA-N 497.508 0.523 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4n3)C[C@@H]21 1788660551 XBDBTIDSZFZSQZ-VXKJNVKJSA-N 456.503 0.852 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1 1789256117 MPPURWNQHZDJSO-VTCANLHHSA-N 478.571 0.488 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1789956639 UDSMEYLBUSDCRX-DRMAHVMPSA-N 460.535 0.411 30 20 JCED CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCc3cccc(C#N)c3)CC2)CC1 1792833809 UHZLMWDQAZVVGR-ACHVPNTGSA-N 465.598 0.860 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1793593075 YRIDAHBINVMFHQ-DFGXFYAUSA-N 466.535 0.498 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794405030 PBFLGBLGWVSQOQ-CWPLJXCYSA-N 479.555 0.339 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599435 IKCFBBWDNSWFSZ-HGKCTWBKSA-N 467.530 0.925 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1797121828 UVHVLXBQDHEBNL-FPPGBKCQSA-N 487.557 0.707 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCCNC3=O)c1 1797323452 FPAYVVPECXDZCH-RMFSNUHRSA-N 462.510 0.714 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1799395152 IDCIRTNXCYGCQI-BMFAXAFESA-N 470.567 0.918 30 20 JCED COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799748791 YEUBFTCVEPUEFV-BBIADKPPSA-N 493.532 0.597 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)cc(C(F)(F)F)c1 1799785472 IKFPAABBVASPLN-MIFYACCESA-N 488.426 0.983 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778910 VZEVNNMTLJJGMF-QOSLBHJFSA-N 463.531 0.748 30 20 JCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1801165478 PWQRXGGHYYHCOF-BBIADKPPSA-N 480.569 0.963 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C)C1)NC(=O)OC(C)(C)C 1801561494 FUFSHQCPPMVVDO-DMUMMCEESA-N 450.580 0.997 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c1 1801760864 UKYYQTSCNPTREA-ALOBAPJISA-N 474.583 0.942 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1802204283 COVLOCNUSQVNEU-DTFBLWLJSA-N 453.467 0.012 30 20 JCED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@@H]2c2cccnc2)CC1 1806849654 DLLPMIFJIWTFRO-KBXCAEBGSA-N 454.512 0.856 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810359418 YFAUFTKXDDPPEU-GZUMRZFCSA-N 469.498 0.541 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1814039696 GHERQIODNVBUHU-HBFSDRIKSA-N 469.542 0.931 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[nH]n1 1814437025 BNINVQNOFYXPNY-MWWKQMNYSA-N 487.542 0.726 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1819845503 DLTPCZOEYRDYHD-QRWLVFNGSA-N 462.572 0.404 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@H]3CCc4nc(NC(=O)[C@H](O)N5CCOCC5)sc4C3)c2c1 1819892016 ZAXWWNGDNYYKQC-ZSEKCTLFSA-N 481.538 0.767 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822197571 VBWKYMWURYAYAZ-HIFRSBDPSA-N 463.491 0.766 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825660866 VDEIGUPHELMNQO-CMPLNLGQSA-N 452.489 0.029 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828522073 DQZFXNOAMMNDSQ-MHECFPHRSA-N 475.542 0.322 30 20 JCED Cc1cc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nn1C 1828704056 CUQSYAFFVGVUAL-RUZDIDTESA-N 493.520 0.882 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCN2C(=O)OCc2ccccc2)C1 1829014065 MQWRBXCBMVWYRJ-DVECYGJZSA-N 497.556 0.716 30 20 JCED C#CCCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829377481 LMHGJNRFZVPCTE-DEOSSOPVSA-N 457.527 0.943 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1829690691 DFFGOFGQEJQXEN-IMRHEYAYSA-N 480.562 0.364 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)CC2)ncn1 1830957479 JWKUDYIFVQOWMX-HSZRJFAPSA-N 472.546 0.462 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1831387257 FYFRNULZBDUOKU-YADARESESA-N 497.589 0.413 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 1831402622 MPYFWYWULWAUSE-GSRZOBFVSA-N 479.574 0.784 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1831425368 UBYZSVZDHPJMNP-LYXWCMDISA-N 497.589 0.404 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1832000807 XPBVNFIXHJYSNW-YCRPNKLZSA-N 465.507 0.609 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1832454714 ZZOIAMNQQKDAQM-NRFANRHFSA-N 483.612 0.615 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1832456870 ANAZLNQHXGCKPV-OAQYLSRUSA-N 450.561 0.914 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c(=O)[nH]c1C 1833389796 DCGVOUZHKHFAQR-XMMPIXPASA-N 491.508 0.519 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c(O)n1 1833699635 GYLBILIBLMODEQ-QHCPKHFHSA-N 470.530 0.658 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)CCOC1 1834765616 IPRCFASPOQVSPL-LEWJYISDSA-N 452.508 0.040 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1835705604 LYGPCGPJEUBAFO-YJGAIIDWSA-N 454.527 0.511 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1 1835713875 RGSAYJZNWFCCQU-IBGZPJMESA-N 459.547 0.933 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1835714097 WTPDNFUXIFUPLE-ROUUACIJSA-N 454.568 0.196 30 20 JCED Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)C#CC4(O)CCCCC4)CC3)CC2)c(=O)nc1O 1835753689 FXDUESLHEUSSLI-UHFFFAOYSA-N 499.612 0.528 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)ccn3C)CC2)CC1 1836107680 WKFOTWFNONDZFO-PLNGDYQASA-N 455.559 0.429 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)c(O)n1 1836133470 FYEBTZHAHDHIPN-QFIPXVFZSA-N 456.503 0.268 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CC(=O)Nc3ccc(F)cc3)CC2)CC1 1836332050 PXJATZCREFJTRC-UHFFFAOYSA-N 458.490 0.814 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1836874605 YOBQBSLZTFBACF-QGZVFWFLSA-N 470.636 0.948 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc4c2NC(=O)C4=O)CCO3)c1 1837138383 BWWBAZNUBNBQQP-QHCPKHFHSA-N 463.450 0.405 30 20 JCED COc1cccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837488416 DMMJIVHGUQVWML-RUZDIDTESA-N 471.554 0.788 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1837489560 MYHKLJWGNFAGJC-QHCPKHFHSA-N 459.499 0.261 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533137 KKVHASBHNCXYCH-AYXIDTDKSA-N 463.535 0.505 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838425013 DZPOUZUHCAXRSU-XMMPIXPASA-N 467.526 0.498 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1838773791 BDRJHXMIAAUIQA-XMMPIXPASA-N 493.557 0.445 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)Cc5ccc(C#N)cc5)C4)C3)CC2)CC1 1839106127 CDYRWYYYZQHZFM-VWLOTQADSA-N 481.597 0.337 30 20 JCED C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1839163784 GGNRKONQDADVIY-JLTOFOAXSA-N 468.432 0.782 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1839184987 JVJSHBJMORUWHU-GAJHUEQPSA-N 482.578 0.438 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)cc1 1839361327 CKQRDCNPLFZFMC-QHCPKHFHSA-N 452.467 0.535 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCN(C)CC4)C3)C2)c1 1839452394 AOKSUJJWGWMFFD-XMMPIXPASA-N 455.559 0.184 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccc3o1)CCO2 1839499936 GBIROBHWHHSTFZ-YLNCNTMDSA-N 454.483 0.756 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](CCN(C)C)(Cc1ccccc1)C(=O)O)CCO2 1839724158 KYSVTMLBQONNPF-LOSJGSFVSA-N 471.554 0.341 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1839801636 UDLDQNUQZNHRLU-IIBYNOLFSA-N 470.613 0.797 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)CC)CCO2)C1 1839832071 HARSOASLNPJMMN-ZGNKEGEESA-N 465.547 0.891 30 20 JCED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1839885691 MAGGCPUFWHTMIG-OAQYLSRUSA-N 493.358 0.917 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840011223 SANGSFGZSSZZRH-PUZWTLIVSA-N 492.573 0.773 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840075948 LKGIAEYMDRMZOT-DENIHFKCSA-N 458.552 0.104 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1840082781 OTTYLILCJGMAPR-NZQKXSOJSA-N 472.579 0.351 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1)C(C)(C)S 1840111136 YUKHYXMNLFRJMA-SZNDQCEHSA-N 499.590 0.741 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840805723 CLRNREPWFLMXDL-QHCPKHFHSA-N 460.531 0.482 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840818408 ANDUUFAZCYGOGH-QHCPKHFHSA-N 468.466 0.106 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)CCO2 1840845182 MACAAUKWNCXKBR-MCEYFSPLSA-N 499.564 0.628 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3conc3C)C2)C1 1840906499 DBWQILWMTJZXTC-JPYJTQIMSA-N 476.530 0.970 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848073926 USLOKMNZXPRDGI-SCYDXJQRSA-N 496.630 0.388 30 20 JCED CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 483057961 FGMJUHXSLRFZAD-UHFFFAOYSA-N 490.563 0.574 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccsc3)c(=O)n2C2CCN(C)CC2)CC1 516375601 BYHSZDQIQINWIZ-UHFFFAOYSA-N 471.652 0.905 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCNS(C)(=O)=O 524281892 FNYQDOMNSLTKLV-UHFFFAOYSA-N 489.044 0.449 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 604270047 NSJCXGJJAMOFFG-UHFFFAOYSA-N 455.496 0.032 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(N3CCCC3)nn2)CC1 727875082 OCKJISNWVUAHAW-UHFFFAOYSA-N 484.538 0.638 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1 728534693 SVULKRJFFQRQRN-UHFFFAOYSA-N 451.504 0.571 30 20 JCED O=C(COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)NCC#Cc1cccc(C(F)(F)F)c1 856454410 VEXDUFSSPWQYNH-UHFFFAOYSA-N 468.413 0.686 30 20 JCED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 857750152 SUZVSRVJQBOCCQ-SWLSCSKDSA-N 464.949 0.103 30 20 JCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)NC1(C#N)CCCCC1 914668320 PPJWGPLJNJXYAX-OAHLLOKOSA-N 462.528 0.695 30 20 JCED CCCC(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 917991234 NUDAWGVZAVBPBA-SFHVURJKSA-N 476.555 0.725 30 20 JCED NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)C1 918373827 FMYAFTFMMQRVFZ-MRXNPFEDSA-N 455.540 0.743 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1296120770 KTKHAQAGCAWRFA-SJORKVTESA-N 452.629 0.654 30 20 JCED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1299206619 LBFKIGVICMUGLT-UHFFFAOYSA-N 477.616 0.768 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C 1316125505 LIEFIHTUWNHSQR-GOSISDBHSA-N 488.614 0.913 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CCC#N)CC3)CC2)o1 1454912517 ZCQGZUSCUMRHCW-UHFFFAOYSA-N 452.533 0.915 30 20 JCED CNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1517596129 SVIWEIRKVKXKLK-LJQANCHMSA-N 487.586 0.788 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1552381469 NVQXECGBPOCMGM-KRWDZBQOSA-N 466.589 0.769 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCSC(F)(F)F)C1 1731015370 RKLDLHOQKVZAKV-RYUDHWBXSA-N 470.499 0.593 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCC[C@H]1C 1741938701 LMMSVZQEJHLOAD-QZTJIDSGSA-N 487.634 0.966 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN2CCCO)C1 1751278901 YYRPXZURRNWDGQ-CNNODRBYSA-N 495.650 0.588 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)N(C(=O)OC(C)(C)C)C1 1779097291 UWQFUIAAGGNUIJ-MFSJNOQSSA-N 494.589 0.033 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1780903619 INZYHLDUUGLFCQ-DEYRORHWSA-N 472.517 0.691 30 20 JCED CNC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781167191 LITBYEZZGWDPSS-QHCPKHFHSA-N 477.562 0.493 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1781294474 LBCWTURKYKGGNR-NYHFZMIOSA-N 463.535 0.552 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2 1781692139 ADKJHOQPWLUKMW-SEPYTNNBSA-N 465.547 0.980 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1782086344 SNPRCWDOKIJBOT-OYHNWAKOSA-N 459.455 0.863 30 20 JCED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1782353537 XMXWULKZMUAEKE-IQGLISFBSA-N 498.584 0.141 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NC(C)=O)C2 1783268218 DRLOOBRTCLGPOD-VEBYGKHWSA-N 478.590 0.942 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783487932 NQDOYFHGJGQUPG-NBZRVGKJSA-N 461.515 0.692 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784501820 WHJXYQCPOCTKOT-BTWZCHHXSA-N 460.531 0.564 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1785305736 CCXMEMXIMABQAR-SEPYTNNBSA-N 464.563 0.954 30 20 JCED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622363 FYNOKYSLXBWGGM-AOMKIAJQSA-N 467.567 0.734 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789904083 MRUSGYOWSCICMY-LEAZDLGRSA-N 471.510 0.617 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]3C2)cc(C(F)(F)F)c1 1790910923 NPVMSKGLUUOKEW-VDGAXYAQSA-N 498.502 0.457 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1792259051 UZSIVMFIMJCMLI-VMXHOPILSA-N 497.614 0.460 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792832457 OWFJKWPEDZTYCN-IIZPIQPGSA-N 486.569 0.966 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1792838164 PTZNXGWXLCYLGP-MFKICJERSA-N 456.886 0.856 30 20 JCED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1793316750 YPXUMZPDUAQGFR-DRXBFXEBSA-N 474.461 0.610 30 20 JCED CCn1nnc2c1[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)CC#N)C3)CN(C(=O)OC(C)(C)C)C2 1794108327 JJPBAEASRMBTGQ-RCJHGTSTSA-N 487.561 0.636 30 20 JCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1795083789 LMDIPVIIWPUJOV-LBFCPWMRSA-N 456.499 0.262 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796384558 FRJZHCAKTZLXGP-MUJYYYPQSA-N 460.556 0.789 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1797121602 QVFNYYYPHGUXLH-XVMXLUHGSA-N 496.605 0.995 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NC(=O)c2cnccn2)c1 1797867905 ZNTQCXMFNLZUTE-HEFCWWFNSA-N 478.509 0.379 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O 1797968235 DAPCIXRKROFIPB-QKAMHHOWSA-N 494.589 0.197 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)cc1C#N 1798358995 PVOVSRZIMSQQMN-IZZQQSIFSA-N 478.509 0.751 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1 1798493532 NCMSGLQDFSNMMI-MUPNANLLSA-N 464.563 0.192 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)NC)C2 1799320356 GNJDOYBXSWJTTC-RCJHGTSTSA-N 452.552 0.572 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1800710579 ONULDIDTNKWJEI-HGKCTWBKSA-N 460.531 0.755 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1802020942 LCXWYRPWUQVYQQ-KOXJRLGISA-N 463.575 0.997 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CN4CCNC4=N)[C@@H]3c3cccnc3)c2c1 1807118651 QETLSTHPDUYYJB-VGSWGCGISA-N 471.525 0.989 30 20 JCED C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1)N1CCN(C)CC1 1814982199 KVCUPKSOATVWTA-HZPDHXFCSA-N 461.636 0.973 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2C1 1818638619 HSELDUNBCGAMKM-XHPSBEMXSA-N 495.627 0.585 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)CC4)c2c1 1823888690 NDBMEOCBTCWFRZ-HZMBPMFUSA-N 478.494 0.715 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1828029489 XAOSJIVDNAVODY-LBPRGKRZSA-N 491.493 0.446 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829831701 PRPBSKFALJROCL-PDOGEWKWSA-N 491.541 0.686 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1830216544 FTKWTWHPHPFMST-NZQKXSOJSA-N 454.483 0.699 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1831386884 KOMFMDWDYXTGLP-IMWIBFENSA-N 489.594 0.591 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1831399254 UAIDLOCSPGXXBE-MBSDFSHPSA-N 453.499 0.376 30 20 JCED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1832291262 ZYAODNJPDWSVBY-NRFANRHFSA-N 497.474 0.910 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)c3ccccc3C1=O)CCO2 1832535339 YEGXXMFILIJUNT-HSZRJFAPSA-N 454.483 0.433 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832878160 WPKSJOLUWQCECL-VGSWGCGISA-N 463.535 0.392 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc(C(F)(F)F)n1)CCO2 1832951340 VYTACIWRSMFGKS-IBGZPJMESA-N 455.389 0.187 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cccs3)CC2)CC1 1833074003 XZDZBKXCOSIFJP-WAYWQWQTSA-N 487.626 0.908 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2)c1cccs1 1833273949 UENIIXLGKQMWCM-BDNZGDGKSA-N 457.508 0.891 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncnn1C)CCO2)NC(=O)OC(C)(C)C 1833848063 VBFZYACBOWFOOP-UZUQRXQVSA-N 492.577 0.745 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834590813 VDMHCJZNRGVZIM-HSZRJFAPSA-N 452.467 0.808 30 20 JCED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1)C(=O)O 1834741555 ILKWMSOVUCKBRX-HXUWFJFHSA-N 471.558 0.571 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835644199 JTRAZHWIQYDDPY-QVWPOWONSA-N 483.566 0.152 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1835674949 HSEBLEPUFCREBS-QFIPXVFZSA-N 477.587 0.216 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1835731444 NRHJOCZLNIRZQS-HZHRSRAPSA-N 459.551 0.545 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750788 NIYGAKPNUDKEFI-IBGZPJMESA-N 481.659 0.937 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837330648 RSEKGZXNHAZJBD-JRASGKOJSA-N 478.619 0.879 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1837399370 RPDHJEGQKYQBCT-UGSOOPFHSA-N 452.426 0.121 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1837446742 ODGBAEGARVVUGW-FYNVVKEXSA-N 478.590 0.894 30 20 JCED CCc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)co1 1837531303 IMUBVDWSWKPJAA-JMQQFMRHSA-N 450.492 0.836 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1837531737 VNMUWSQHSYBLFM-STSLHBMMSA-N 468.457 0.959 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)c1ccccc1 1837615274 FPDNIXLHDNZPCL-CZSZKKDXSA-N 453.539 0.776 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837767665 CSKOZIJTXPPWQW-BTYIYWSLSA-N 453.442 0.352 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733071 MRZLNSKGPSPBLE-HXOBKFHXSA-N 491.545 0.232 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)cnc2c1 1838736848 APZILDFAJBPACF-XMMPIXPASA-N 476.493 0.587 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(O)c1 1838888149 PHKANKUXLDDWRL-HSZRJFAPSA-N 460.531 0.753 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907507 WNZSXKLPHHNGGF-OFNKIYASSA-N 473.482 0.123 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)N1CCN(C)CC1 1839103272 KLOOAJJNBQLIEM-UUOWRZLLSA-N 473.549 0.403 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1839176322 HZGURMMVPSGOJJ-GBXCKJPGSA-N 457.527 0.989 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)ccc1F 1839188140 MUKHPRVQIVKVMH-OAQYLSRUSA-N 474.518 0.607 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210097 DGNKHTFICCECCC-MDOVXXIYSA-N 461.581 0.037 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839373908 ATTJNGILHMXGNM-DEOSSOPVSA-N 483.477 0.824 30 20 JCED COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1839401696 WCSKQNFXYLKYNX-HXUWFJFHSA-N 495.330 0.747 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c(Cl)c1 1839425134 NWNCFOTUDFOEEB-NRFANRHFSA-N 458.906 0.963 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839451103 ZVVHUIILZGTEPQ-VGOFRKELSA-N 478.571 0.265 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](CCN(C)C)(Cc1ccccc1)C(=O)O)CCO2 1839724159 KYSVTMLBQONNPF-RPBOFIJWSA-N 471.554 0.341 30 20 JCED COc1cccc2c1C[C@H](C(=O)N1CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)CC2 1840044306 CKBGBIAJWIDRGL-KOSHJBKYSA-N 456.495 0.345 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1840165715 HUJRNAHFERNQRS-GIMINZRKSA-N 497.618 0.620 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1)c1ccc(O)cc1 1840220999 OSZAKCCFQJCYBM-VAXXYWNWSA-N 457.527 0.480 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCS(C)(=O)=O)C3)C2)c1 1840716653 PHKLLDDAAFWGCE-HTAPYJJXSA-N 463.556 0.818 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)cc1C#N 1840762856 SWSAMUGYFNHHDD-MZNJEOGPSA-N 472.542 0.927 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844260520 JKWQHHWSBGVTOF-CBFMJHRQSA-N 464.567 0.430 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845013596 MLUOIIZRFKQHGT-CQSZACIVSA-N 458.540 0.083 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1845201423 LPPFKEWBLSCAAK-SFHVURJKSA-N 468.595 0.336 30 20 JCED CCn1c(CCC(=O)OCC(=O)NCCC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 10056341 SYMGTQDTCWQELT-UHFFFAOYSA-N 477.543 0.583 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 25964807 QGZYGAVQMZZGRJ-UHFFFAOYSA-N 462.459 0.179 30 20 JCED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 410010854 KNVQGSJYHHUTEM-GOSISDBHSA-N 499.589 0.897 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 522563756 IMUCQRGKRBVNNS-UHFFFAOYSA-N 471.543 0.137 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCNS(C)(=O)=O 524281167 JXNAUDQRGPFTOS-UHFFFAOYSA-N 451.545 0.716 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O 589161363 RSLFCXCIYXBVBG-LBPRGKRZSA-N 469.535 0.855 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CC(=O)N(C)C 604270367 XBLVNSUWBDRESG-UHFFFAOYSA-N 470.595 0.606 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1C1CCN(C)CC1 604434300 FGLNKDRYYPVZSP-UHFFFAOYSA-N 456.568 0.451 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828285 NBYWZWSRFWQPHG-UHFFFAOYSA-N 470.457 0.848 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(C(N)=O)cc1 608828898 QHVDICMLQBOKFW-UHFFFAOYSA-N 466.519 0.637 30 20 JCED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 726577803 VSPBOVFVOVOSOK-UHFFFAOYSA-N 476.562 0.731 30 20 JCED C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 727010960 SPYGJMYMAGJGBM-KGLIPLIRSA-N 458.496 0.745 30 20 JCED N#CCSc1ccccc1NC(=O)COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 753667927 XDGUGOKJYUFPRW-ZDUSSCGKSA-N 464.525 0.949 30 20 JCED N#Cc1ccc(N2CC[C@@H](OC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)C2=O)cc1 914665199 NFFPFTIXMMFAIQ-LJQANCHMSA-N 468.491 0.641 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOCC1(C)C 1301968738 OYMVPPFYUTYOCP-SJORKVTESA-N 469.612 0.318 30 20 JCED CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302316454 SVISHGKPQUBRRA-DOTOQJQBSA-N 484.648 0.570 30 20 JCED C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359083557 MDQBAAPJGIJVSW-CYBMUJFWSA-N 481.355 0.157 30 20 JCED N#Cc1ccc(OCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1Br 1472498970 USXWVJCLDQKQMH-CVEARBPZSA-N 458.334 0.002 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN2CCOCC2)CC1 1507868638 MVFIXBFRJQBYNH-SFHVURJKSA-N 489.042 0.912 30 20 JCED CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(=O)(=O)NC)C2)CC1 1515932903 ZMENEZLPIHQJIX-FQEVSTJZSA-N 472.619 0.582 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1541935766 SEBHSBOAVLATEA-WMLDXEAASA-N 458.610 0.843 30 20 JCED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1555803522 QWKKTTITYTTZBR-UHFFFAOYSA-N 485.614 0.996 30 20 JCED N#C[C@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NCC(F)F)CCO1 1555993390 NTYDMBZNFSHEDC-HNNXBMFYSA-N 461.477 0.562 30 20 JCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1=O 1618488977 QNQUSXGRSMTRFJ-UHFFFAOYSA-N 453.547 0.854 30 20 JCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)CCO1 1620356079 RSJFNFKLZZGQNB-MSOLQXFVSA-N 458.544 0.268 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(N2CCOCC2)n1 1692786207 SLUONVQVVSGKCN-QRWLVFNGSA-N 478.554 0.610 30 20 JCED CC(C)NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1750994222 SRKNAXQIBFVNHL-GOSISDBHSA-N 471.587 0.903 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cnc2c1 1777996040 SJSFILNFNWORRA-XMMPIXPASA-N 466.542 0.728 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779106807 VFTHOOSRDXCSGH-KQHYHWCPSA-N 489.525 0.808 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1779200921 RDFXUMVVPZSILH-PIPMEXSNSA-N 465.547 0.263 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1780931945 YNTSUXHFDWGGKO-DYESRHJHSA-N 452.433 0.895 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)CCO2 1783904742 BERMURQQVOHOMO-QHCPKHFHSA-N 472.567 0.475 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784354624 ABPLEZFRZISNFD-UUOWRZLLSA-N 499.524 0.056 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(S(C)(=O)=O)c3)C[C@@H]21 1784501614 QUFPATHMYVYWJX-LNMJFAINSA-N 451.545 0.670 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785608979 ICPSNWHFTUAHRV-KTTXHFHUSA-N 494.589 0.339 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1)c1ccc(O)cc1 1788556469 GFFJVAXVNGXLEX-VKRLORBYSA-N 452.511 0.745 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788657896 BFDGNYPMORXUMO-SLPAREJWSA-N 452.552 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)NCc3ccco3)[C@H]2C1 1788718130 YCOTXULFDMHXLJ-SFSPKQHYSA-N 470.526 0.290 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1791265473 IJGODVTYWMCFOU-WBAHDQRJSA-N 457.593 0.655 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1792792846 NQEYLGFQGRHVBY-UBZXZJBMSA-N 469.604 0.651 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1793359335 VDZMYWUIYWQTLF-QGLBADPUSA-N 467.563 0.851 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2nnn(CC3CC3)c21 1794108214 HAJPQBRUZXFXBZ-NYUBLWNDSA-N 498.584 0.745 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncn4nc(N5CCOCC5)ccc24)C3)CC1 1795410089 JXIZBOXVMZHGAJ-HGKCTWBKSA-N 465.514 0.073 30 20 JCED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2)C(=O)O 1795640187 LZKQLYOTORTIOA-VAECKANCSA-N 469.420 0.238 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1797714516 WIBOCOKJZUQQND-ADHGMGHFSA-N 469.579 0.425 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 1798691041 BLBOPJLCUFJNCE-NDLGOLERSA-N 487.557 0.707 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c1 1799745664 YJIGLXMJRJNVQA-IVWMJMPLSA-N 473.486 0.366 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c(C(=O)OCC)ncn2C1 1800324518 HDMUEDNDGFJHBW-VBRUWADQSA-N 474.558 0.803 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1 1800774021 MQUCBOOOYFWDFC-UZTRCFKKSA-N 463.531 0.748 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C\C(=O)NC1CC1)C2 1802125844 XUKZSWQKFIVBQT-ZFUSTQJFSA-N 474.558 0.327 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](COC)NC(C)=O)C2 1804375941 BVAKUSHKYFBVLK-RHQZKXFESA-N 464.563 0.692 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C1 1806057610 QHEOENMBBITFET-GOSISDBHSA-N 490.630 0.619 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@H]2CCN(C(=O)C(O)O)[C@H]2c2cccnc2)CC1 1808161096 RTTFZIRPSAYQQL-MSOLQXFVSA-N 487.557 0.939 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)nc4cccnn34)sc2C1 1821261787 HHFWFQPVYGSISN-QWHCGFSZSA-N 452.496 0.810 30 20 JCED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC3)c1 1823664517 ICPODZCEYZDSKC-YGRLFVJLSA-N 456.459 0.978 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn(C)n3)CCN2C(=O)OCc2ccccc2)C1 1828667186 DVJORROZMWWXFG-CLOONOSVSA-N 494.552 0.919 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CN)CCN2C(=O)OCc1ccccc1 1828946183 CSJPUSQOUKQPJZ-QCZWLBJLSA-N 497.596 0.892 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 1829262449 QQFZOZRAAPUOOH-XMMPIXPASA-N 452.511 0.694 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1829263018 DCGSJBWNJXCUAN-MBSDFSHPSA-N 455.515 0.519 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1829267413 OZYNPAFJEQXCOT-BJKOFHAPSA-N 471.510 0.688 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cccnn3)C2)C1 1829332409 KILGONVWEHWXGU-DEOSSOPVSA-N 477.477 0.630 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)CCO2 1829848147 ZUOPXQUNZHOBGZ-GAJHUEQPSA-N 463.531 0.245 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1830047154 OHZQWUXOMKBHBB-NRFANRHFSA-N 497.474 0.918 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)Cc5cnccn5)CCO4)C3)c2c1 1830969126 SPAAXAJQFXFMHW-QHCPKHFHSA-N 461.482 0.537 30 20 JCED O=C1Nc2ccccc2Cn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc21 1831216274 IPNQFJASWUSAPD-SANMLTNESA-N 489.532 0.981 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)C2)C1 1831387964 NWUVDDZSUWGHEK-STSQHVNTSA-N 467.563 0.642 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831462357 ABNDNRDDMNGQCE-QVKFZJNVSA-N 483.974 0.962 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1831693995 FMRTVNCVXAJHBD-QFIPXVFZSA-N 453.536 0.115 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)CCO2)C1 1832427554 PJLOIUDZCPFICP-OPAMFIHVSA-N 463.462 0.771 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1833105448 ISJSWRRTYJRDOS-YADARESESA-N 487.557 0.887 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CC2)CC1 1833350511 YKGFCBJKMRGZKP-NQIIRXRSSA-N 494.633 0.872 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1833464300 ASGZJENMXUFJHO-OAHLLOKOSA-N 477.587 0.062 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccnc2OC)CCO3)c1 1833505881 KAONNYGKWUFMPR-HSZRJFAPSA-N 467.482 0.749 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](COC)NC(C)=O)C3)C2)c(O)n1 1833700344 WLSDXYQSPBOSKT-GBXCKJPGSA-N 490.557 0.127 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1834099857 IQNLZQGDSPMTIE-KSFYIVLOSA-N 463.535 0.949 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)[C@H]2OCC[C@H]21 1834768777 OHVNWTBPFLDWCN-YLHGCELOSA-N 492.573 0.771 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681247 QURGWLDMPWCTDH-MBSDFSHPSA-N 459.547 0.587 30 20 JCED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1835755074 PJCKRIUCCWAZAW-HXUWFJFHSA-N 469.604 0.972 30 20 JCED N=C(N)SCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767808 SGTYIWOOHWOUKU-QNDYCBLQSA-N 454.597 0.714 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CN)c1ccccc1)CCO2 1835807124 LHUWCQCSHGTKRS-LLFPJYNESA-N 456.543 0.044 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1836215567 DDXUYEDRXVWUPX-JXQFQVJHSA-N 479.574 0.617 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1836770141 STRNMEIILGODFN-WVQWTBLQSA-N 493.601 0.864 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836780614 FUVISEWBKYPYOQ-FQEVSTJZSA-N 467.473 0.298 30 20 JCED O=C(C#CC1CC1)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1836823014 JYVLPPMEDHMYEH-UHFFFAOYSA-N 451.589 0.129 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)N1C[C@H]2C[C@H]2C1 1837294581 JKOJWTAJQWMRBL-MASGSYHESA-N 468.554 0.734 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1837403178 ILDXEVGQVFJJSF-KDLAUNOPSA-N 474.558 0.229 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837531617 RBSLNVSXQLJUJV-VPUUYJAHSA-N 490.542 0.685 30 20 JCED CCn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc1C 1837531762 WCZUEOUZJMQEEK-PTJKWTKHSA-N 463.535 0.810 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)n1 1837655960 ILGVWEZDZRAXQX-GCJKJVERSA-N 466.604 0.698 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1838077472 XQCIPMNDLQBHHL-LNZPYGSCSA-N 479.622 0.740 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1838508737 YZZQWJFKUKPLTN-OAHLLOKOSA-N 460.535 0.989 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)c1 1838581627 DOHPQPBUJZZYED-ZJSXRUAMSA-N 465.510 0.732 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)c1 1838582647 XPRBWRRCJYZMET-QFIPXVFZSA-N 453.455 0.446 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1839085909 RIMGUUBZZQQEPI-LFALDJFMSA-N 492.573 0.771 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1839136107 HBGYABWUJUFXQZ-HXOBKFHXSA-N 483.562 0.865 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839513088 WGQQZYJKVIBSTG-MWTRTKDXSA-N 454.483 0.444 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839636868 QTSBECNFPPMZSR-OFVILXPXSA-N 484.553 0.718 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c(O)n1 1839867555 CFNKPIAKJGUUHK-MWTRTKDXSA-N 458.515 0.112 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4occ(-c5cccnc5)c4[nH]3)C2)C1 1840043047 FHZLOYTTXRFRNB-DEOSSOPVSA-N 478.461 0.981 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC)CCO2)C1 1840142817 ZERYTXUMSQVMGL-RAZUEPIFSA-N 464.559 0.771 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3[C@H](C)OCCN3C(=O)OC(C)(C)C)C2)C1 1840157479 QJTAEOCZTDXTSB-FSTVOOFJSA-N 487.619 0.786 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1840175347 LKTPLUWCFOUVAG-HOYKHHGWSA-N 496.605 0.781 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)n1cncn1 1840418002 MANOWOYMRUKWNM-ZAHAJLKSSA-N 459.528 0.796 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCOC2)C1 1845206351 CPFMCIZRHLQJND-XBKFQHLESA-N 462.547 0.732 30 20 JCED CN(CC(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1 25535790 KACYUCZWCZNHJA-OAQYLSRUSA-N 484.534 0.832 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@]3(N4CCOCC4)CCSC3)CC2)cc1 31166329 WIODPONRCVHLHR-OAQYLSRUSA-N 479.628 0.782 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c1=O 31751498 RZLYXSYWWDDMGM-UHFFFAOYSA-N 460.512 0.909 30 20 JCED C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 491836145 XLCRBVYRNAMQJY-KRWDZBQOSA-N 456.524 0.975 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 495284428 WDFBNYSGRBNRDI-HUUCEWRRSA-N 465.532 0.004 30 20 JCED CN(CC(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1)S(=O)(=O)c1ccc(C#N)cc1 506507646 XKLPZWOWNJMBIL-UHFFFAOYSA-N 467.511 0.725 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccc(C)s3)c2=O)cn1 522383285 MTQFOSWLAQLLEE-UHFFFAOYSA-N 498.634 0.437 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(C)c2)c1=O 603794419 DIMZKKWISHHMON-UHFFFAOYSA-N 484.622 0.596 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CCNS(C)(=O)=O)c2=O)cc1 608913088 RYVDNCVBDDUBRS-UHFFFAOYSA-N 498.586 0.609 30 20 JCED CCc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccn3)c2=O)c1 609405189 PEBOYDPUONTIIX-UHFFFAOYSA-N 489.601 0.808 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(C(N)=O)cc1 726576943 FWNXXWFMLYPFNB-UHFFFAOYSA-N 453.549 0.792 30 20 JCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 726597305 GOUWLQOIYVNBFQ-KRWDZBQOSA-N 482.628 0.617 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCS(C)(=O)=O 729675061 RMYUWRAIBWKKKR-ZDUSSCGKSA-N 463.537 0.981 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 743115246 BESYGCCGZXEQSS-HNNXBMFYSA-N 480.543 0.848 30 20 JCED C=CCn1c(=C(C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)sc(=Cc2cnn(C)c2)c1=O 837286056 RMYPAHZNKBBDHZ-UHFFFAOYSA-N 476.562 0.808 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCNS(=O)(=O)c1ccccc1 900999103 VWULUTTVEINAFB-UHFFFAOYSA-N 450.542 0.600 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 915290677 DLIMMXNNUOLGKY-UHFFFAOYSA-N 462.553 0.208 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 917687708 LUUBJGRJIXWFAL-JJIBRWJFSA-N 470.511 0.697 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 918872415 MPDTWZBTEVKSPU-UHFFFAOYSA-N 462.528 0.129 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)ccc1F 919074390 CUOXNFOSBVPWMS-UHFFFAOYSA-N 453.492 0.528 30 20 JCED COc1ccc(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1300294534 LMYOWPZLBOCQJG-KRWDZBQOSA-N 475.575 0.591 30 20 JCED COCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1301480353 NPPIPGVSSBEBJC-CVEARBPZSA-N 454.553 0.156 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)CCOC1 1502718957 UYCNBGMQOPUFJW-RXVVDRJESA-N 481.623 0.435 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCCN2CCC(O)CC2)C1 1505141182 MVWDIDYPXUKPTQ-IBGZPJMESA-N 481.623 0.198 30 20 JCED CCN1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1515836762 JAIZOPASYMQNNL-HKUYNNGSSA-N 487.634 0.823 30 20 JCED CCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)o1 1546360112 IOGCBQRFNYIQNN-GDBMZVCRSA-N 462.580 0.972 30 20 JCED CC(C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1596831797 PUCYLDOVAXHHRP-GUDVDZBRSA-N 483.639 0.564 30 20 JCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1660986043 IOACPUCUWWWNNP-GFCCVEGCSA-N 453.464 0.891 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)N(C)C 1692796548 PENRMOMLQWQGGW-HOTGVXAUSA-N 461.596 0.432 30 20 JCED COc1cc2c(cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)O[C@H](C)C2 1748582818 JSHCEGFURFXHOK-JKIFEVAISA-N 476.559 0.997 30 20 JCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1766682754 UAWNBKDVUXDABZ-UHFFFAOYSA-N 466.589 0.723 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2Cc2cccc(CO)c2)C1 1770349231 OHPGXQJLQKBJDG-IBGZPJMESA-N 460.560 0.892 30 20 JCED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777712124 MUEUYHVXDXYXQZ-OXQOHEQNSA-N 468.601 0.885 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778892814 MWWSWKAWUDLPKX-RAGMITBNSA-N 451.398 0.451 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1779139788 KJEJPUKESYBFFN-NYNQOQISSA-N 471.539 0.434 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1779317744 GFLROHUTTMMUCJ-NZQKXSOJSA-N 458.515 0.090 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780923630 DGSGHDFHBWIBFS-WNSKOXEYSA-N 490.582 0.262 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C2)C1 1781060847 DHLPMATUWSSVHJ-GACJPCPCSA-N 491.585 0.879 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781309100 XETJHOWCAYNLTK-VSDWSMLSSA-N 465.547 0.538 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1781392614 CNJWXEMVYDAYSB-XFQAVAEZSA-N 456.540 0.503 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)c2n1 1782884778 AXRZJWZIUBFZIX-DEOSSOPVSA-N 495.540 0.370 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C[C@@H]21 1783530764 BQAUHHNFKRAIHO-VWZTXQRKSA-N 481.553 0.329 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1783531464 RDIBHRLWVFPZKW-JAYGYPRLSA-N 494.589 0.100 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H]5CCC(=O)NC5)[C@H]4C3)c2c1 1783630293 CVRXDWLXHKWENE-MRHSLFKSSA-N 450.499 0.554 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1 1783919451 GKYRJTCDOKAFBM-VMXMFDLUSA-N 461.946 0.822 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1784538825 FQSXQNMJDMYXFS-DNUAJFIVSA-N 452.533 0.691 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1)C(C)C 1786705535 LTLSJXGWRPPYBA-JLCRNFDHSA-N 491.589 0.641 30 20 JCED Cc1ccn2c(=O)c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]43)cnc2c1 1788039776 APSZBGBDHOOKCX-IHPCNDPISA-N 480.569 0.878 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1788148745 XXMHUSPWFURNJR-CFLDLGCGSA-N 463.531 0.701 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788497694 HUIZRXRXIJXYNG-JHMURPNPSA-N 488.585 0.718 30 20 JCED COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603927 ZYGDLJBIOFAVLY-JYEIPFOFSA-N 468.595 0.508 30 20 JCED Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)s1 1788658614 RQQFXRUTVMIFEY-JLSFHGIFSA-N 451.549 0.898 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1788660989 TUYROKVKBJCCFI-IHRYEDMLSA-N 461.519 0.624 30 20 JCED O=C(/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)NCc1ccco1 1788720238 RMDSHCACTPJDJZ-UWZWNUASSA-N 488.541 0.961 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN(CCO)CCO)C[C@@H]32)c1 1791989183 TWVPJDIQXAXUQR-MNAPGUCWSA-N 458.559 0.194 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)C2 1793340830 PBCGOMAORCRUMR-HQMXNFIDSA-N 459.568 0.725 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](COC)NC(C)=O)C3)c(O)n1 1794491318 YJCUIOYNCNRPIB-WOUAJJJCSA-N 460.531 0.260 30 20 JCED CC(C)(C)OC(=O)NCC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)CCOCC1 1795077343 DZHSWFOLNOPSOJ-ALXJQNPVSA-N 450.536 0.811 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795288473 IRRUREBUGCTOMM-STEXWYFWSA-N 476.574 0.551 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599778 JTMNAFCZFHBSTG-ZMMAXQRCSA-N 481.594 0.134 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796357955 XIJHAOGMIWEDLX-KRXQYRFLSA-N 491.545 0.951 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798102957 DZRMWICGCHQJGZ-YVWYUNDQSA-N 451.439 0.329 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C 1799134195 PBFMIIASSGQHIA-WDGJILITSA-N 464.563 0.690 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)C=C)C2 1799232205 VDOZCMRYNXAHAV-UNJWAJPSSA-N 490.601 0.964 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799327806 YOZWTFDCTDSMOW-FDFFUELDSA-N 480.500 0.438 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)CCOC1 1799335504 VAKFQVHTEDYITQ-WWMJAGMXSA-N 490.557 0.972 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C3)c1 1799799735 TYIDKCRFBDPSES-SOGIYBJLSA-N 455.540 0.872 30 20 JCED CCCNC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883025 COFIPYRUWLXSHZ-VPTLXERWSA-N 452.515 0.944 30 20 JCED COC(=O)[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2)NC(=O)OC(C)(C)C 1800911960 LFADLAMBNDLFNO-JYYAWHABSA-N 464.519 0.336 30 20 JCED N=C1NCCN1CC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1807115454 JHVZXQJLNGRHKH-DENIHFKCSA-N 452.559 0.626 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)Cn3cnnn3)[C@H]2c2cccnc2)c(C#N)c1 1807614638 SIWZZSAJXJKJBF-WZONZLPQSA-N 460.498 0.897 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)CC1 1810252390 JBENVPHTPYSOAI-PLNGDYQASA-N 475.571 0.541 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1814041557 VRNFZPUYFPDXJK-WIYYLYMNSA-N 483.525 0.868 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817236878 YXZNWKIXYNZYRO-CQSZACIVSA-N 457.424 0.636 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)CC1 1822201472 JNYTXQWNHBLJBY-OAHLLOKOSA-N 451.505 0.161 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)NC(=O)OC(C)(C)C 1822204966 FGKJSTAKSCAGCL-HUUCEWRRSA-N 491.501 0.946 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1825544324 MMGWTKUDAGHFKD-LJQANCHMSA-N 461.540 0.948 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828570912 FZLPDAWMJPZWJS-AVRWGWEMSA-N 498.536 0.441 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4C[C@H](O)CN4)CCN3C(=O)OCc3ccccc3)C2)CCC1 1829205825 FRYVSNKGGKSUTR-ISJBWFOZSA-N 495.580 0.855 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1829768509 AIQRFIJPEKXSKY-DDKKJVIOSA-N 456.337 0.229 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)c(O)c(C)c3)C2)C1 1829773144 BYQUAAAIVRZEQK-VRWDYKOXSA-N 457.527 0.937 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COC3(CCN(C(=O)OC(C)(C)C)CC3)C1)CCO2 1829847496 LXFWZNZOLMPWHX-CLOONOSVSA-N 491.585 0.882 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H]3CCC(=O)NC3)CCO4)c2c1 1829961559 UJIIZGIXYNYXHJ-MWTRTKDXSA-N 466.498 0.031 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831325629 YYSMMUPJPRQLJS-QVKFZJNVSA-N 498.989 0.609 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831340191 DYIAUJUWXZXKOW-NRFANRHFSA-N 465.528 0.072 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1831411333 PISMWQQWFVQHOO-QFIPXVFZSA-N 464.519 0.152 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1831427750 UVQDJJUVUFIDRM-KKSFZXQISA-N 450.492 0.359 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 1833073713 ALFSXSVEGIWSQQ-WAYWQWQTSA-N 482.585 0.241 30 20 JCED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834912287 BCJSDFGPFYTJTQ-UHFFFAOYSA-N 462.576 0.573 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ncn(C(C)C)n3)CC2)CC1 1835201768 JGUHIQGSANAISC-WAYWQWQTSA-N 457.579 0.903 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835390369 SJTILMGPLDDULB-FDDCHVKYSA-N 466.579 0.311 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCN(C)CC4)CCO3)C2)c1 1835405221 SFXVKVCEZYAUJM-VWLOTQADSA-N 469.586 0.574 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836848255 NUQBOFXWILOGKG-DEOSSOPVSA-N 467.526 0.498 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837444320 XZFRBUXJPOMNJR-USTSCIQPSA-N 465.551 0.444 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1837528204 BDJCZTYCIVSPEC-ALUBYUQESA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837531276 HFCQUUNAJJEPOD-LOIYZEMGSA-N 490.439 0.423 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837532808 HDOGIUXNOSJMCS-VWMTZVMLSA-N 468.551 0.277 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nc1 1837561466 MXIMDWJXGVQLKS-NYNQOQISSA-N 490.538 0.267 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)c1 1838581669 GVKMICMSWBUDBV-QHCPKHFHSA-N 468.466 0.757 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2 1838626602 WAHIYARAUMWDOI-QFIPXVFZSA-N 457.439 0.807 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)CCO2 1839085550 JTDCRWJYEGLEAP-GLYQVZKVSA-N 477.558 0.635 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCN4C)C3)C2)c(C#N)c1 1839131557 KRLVIVLOAHUKSS-URXFXBBRSA-N 456.543 0.660 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839676936 ZZOKWXUAXYKNIE-WMZHIEFXSA-N 451.612 0.703 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2ccnn2)CCO3)c(C#N)c1 1839710684 ONGGVOSUXXRDPJ-SBUREZEXSA-N 468.514 0.418 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](Cc3ccncc3)NC(=O)OC(C)(C)C)C2)C1 1839806940 IGSFMIAHMAYIPZ-NLFFAJNJSA-N 486.569 0.997 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(C)=O)CCO2)C1 1839881139 NBRGQZLEOGKLKJ-JTUHZDRVSA-N 482.578 0.437 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Br)c(F)cc3F)C2)C1 1840044838 AAMVIONVYRHDNI-IBGZPJMESA-N 487.253 0.885 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840169121 KRNZSFNWUGTGPB-MBSDFSHPSA-N 467.563 0.522 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/OCC)CCO2)C1 1840312145 NVBZQBGYAKNTQE-JUNPDPNCSA-N 465.547 0.910 30 20 JCED CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1840790892 IIAWUARKMOMEOQ-XMMPIXPASA-N 471.510 0.829 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1I)C2 1841054854 JRZJXYCFVXCJHK-PLNGDYQASA-N 469.283 0.690 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1847102914 FVVDEKNUJQYCIV-QGZVFWFLSA-N 458.515 0.508 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1847263107 XNOMMAXHJKGPOS-PAXAMTNXSA-N 462.547 0.274 30 20 JCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1C(=O)NC2(CCCC2)C1=O 514456022 WNUMMHVJEUCIKP-OAHLLOKOSA-N 459.528 0.644 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc3c(c2)CCO3)c1=O 523734020 NYYRHTLZTYEQCU-OAHLLOKOSA-N 457.552 0.535 30 20 JCED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 553901623 PNIXWOZYYFUHMR-UHFFFAOYSA-N 465.557 0.792 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)cc1 593279233 VVTKHCHWRNBXGA-UHFFFAOYSA-N 457.552 0.751 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)s2)c1=O 604270335 NFEBLYRJIJMEKD-UHFFFAOYSA-N 466.972 0.075 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1-c1ccc(OC)nc1 608883935 CPSXIJLSVAKONY-UHFFFAOYSA-N 495.473 0.231 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCNS(C)(=O)=O 608912145 GEVXSQILBCCILV-UHFFFAOYSA-N 474.608 0.388 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O 726577726 UNSWGDNGMRBPMX-UHFFFAOYSA-N 499.618 0.684 30 20 JCED Cn1nc(Br)c2c(=O)n(CC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cnc21 727100438 PQWYNTLQEJLNIT-UHFFFAOYSA-N 457.292 0.508 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 728534491 NFILTAJILIJSES-UHFFFAOYSA-N 452.964 0.632 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 729207972 OGXWYHDALCGHFO-UHFFFAOYSA-N 492.540 0.245 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CCOC)c2=O)s1 731203849 YXRWXEPYIYHNIO-UHFFFAOYSA-N 476.624 0.132 30 20 JCED C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NCc1ccc(C#N)cc1 746567850 MGMHBZZUCUSGNY-HNNXBMFYSA-N 472.523 0.786 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 811831451 KWWRMECPYKRDJC-CYBMUJFWSA-N 465.509 0.430 30 20 JCED CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)N1CCN(C)CC1 918252490 ALZANSUXMHITML-YXQVCNHYSA-N 492.646 0.826 30 20 JCED CS(=O)(=O)c1ccc(CNC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 918818229 NQJLFZOLBYBJHC-UHFFFAOYSA-N 479.536 0.378 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN(C)CC(F)(F)F 1288861594 BNKMIOYDRCXMLT-HIFRSBDPSA-N 478.545 0.559 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1298327096 KCUSUQWZDMWREY-SFHVURJKSA-N 478.600 0.724 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CCO1 1301912200 LOWUHLXZMAJRFX-QFIPXVFZSA-N 483.573 0.792 30 20 JCED N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC(=O)N2CCOCC2)cc1 1302989839 URYGOUUFSPPRMD-UHFFFAOYSA-N 453.503 0.146 30 20 JCED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1474817307 LURIILRDFULTRZ-UHFFFAOYSA-N 456.590 0.588 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CCO1 1503771895 KNUHTMUUWDOTIX-WOJBJXKFSA-N 453.547 0.615 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCOCC2)nc1 1510192321 QBAUGFGSNMXNKM-FOIQADDNSA-N 478.554 0.610 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1696593723 XMXFFPYAFLYEMQ-UHFFFAOYSA-N 485.614 0.994 30 20 JCED Cc1cc(C)n(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)n1 1742723462 YMOXHNRUPQKMCC-PXNSSMCTSA-N 480.570 0.957 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCS(=O)(=O)N(C)C 1763044491 PNNHNGHBXWGNHH-OAHLLOKOSA-N 459.580 0.814 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1769127168 OGTHPMAZOYNXKO-NNFUDEMPSA-N 472.543 0.104 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1=O 1778710906 ULKQUSVDVBYZQV-HPTBBYBNSA-N 453.499 0.737 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1779100686 DBCMRTJZXKMRNP-KRAMAXKOSA-N 463.491 0.671 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1781051634 YCXKTYPOOSEMFJ-FZFQXVFRSA-N 498.577 0.872 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1781166324 KGUOJBCXJIKEGR-SAHWJRBASA-N 478.546 0.622 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781961207 HILGMBWRZMVKDV-JLTOFOAXSA-N 452.508 0.469 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)NC(C)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1784087897 CPZXBQKMDDZYTD-QSAZIKIQSA-N 464.563 0.907 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1784521413 GKYZPHCPTIQCQM-CAIZAGQASA-N 463.556 0.597 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1784601538 RUOZKSLFZPHUAA-HFJQGTKSSA-N 452.515 0.967 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3noc(C)n3)[C@H]2C1 1785275281 INCHLVLFWIQUDH-XSLAGTTESA-N 475.546 0.817 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)C(=O)C1 1785370514 AZNPUGMGJCTJHE-DEOSSOPVSA-N 489.573 0.589 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1785376078 JYBXTPDGZBDJHI-DEOSSOPVSA-N 463.494 0.592 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1786678460 VEDNHYAXNMCFOW-JCECYMMASA-N 462.547 0.161 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)C[C@@H]21 1788475355 NAIJQTJRHIRLBK-LJZWMIMPSA-N 458.515 0.971 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)N1CCN(C)CC1 1789800402 ZSOBKSQNPHEMTR-CMOCDZPBSA-N 460.619 0.301 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1790662601 JWECNCGWUVYAKH-JYEBCORGSA-N 499.564 0.320 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](NC(C)=O)c1cccc(Cl)c1)C2 1792489661 FLDNHMTWLLXCAF-NJKSQTLMSA-N 488.972 0.965 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1792795503 SAKYMHHKTMTMKK-ZYQXHKLQSA-N 470.592 0.542 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C#CC1CC1)C2 1793262091 VQQILZDCGKMPTA-UGNRZPKXSA-N 454.527 0.625 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)C2 1793340626 BYDKFWRAYFBZKU-SWBPCFCJSA-N 491.585 0.783 30 20 JCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2cc(Br)ccc2c1=O 1793415252 AGONUVKQXCUXOK-DBWKPXFBSA-N 474.315 0.662 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c(O)n1 1794490225 ZDELXANWAAWVQM-UPHUGPLXSA-N 492.598 0.535 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)c2C1 1795417800 CPKBGECOGATHIM-JLVBRIDZSA-N 473.534 0.536 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C 1795518747 CNUUWSQVMNDQRP-KYHPRHEASA-N 466.583 0.309 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815235 LKPZTEPMPFHYJC-NUICGWEBSA-N 498.577 0.381 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1797816759 RFYXZUBKUOJLDQ-OCVBPOBGSA-N 489.554 0.858 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(OC2CCOCC2)n1 1798373130 GBALGFNWJCWTRX-AYMMHLMVSA-N 457.527 0.881 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1798494891 ALAGYUXTUXUKEO-RUZIRRQMSA-N 470.592 0.825 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2 1799306566 KALLGLHJSIPIKH-XLMAVXFVSA-N 453.536 0.999 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(Br)c1F)C2 1800773532 GZPDKEJWIWATQJ-DBWKPXFBSA-N 453.264 0.808 30 20 JCED Cn1cc(-n2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)c3ccccc32)cn1 1800778395 SAEDVBBNMMWYOO-RSQQPWMTSA-N 461.478 0.655 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800781278 WBWKPYZNPVXFOC-GHHWKCCRSA-N 463.531 0.748 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1800808223 YRYCKVASIZXDIZ-MDMSPXHWSA-N 462.547 0.640 30 20 JCED CCOC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CC1 1801988029 GNKWGKQYEFIVDN-QMACGRLNSA-N 480.562 0.974 30 20 JCED Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2n[nH]c4ccc(C#N)cc24)C3)c(=O)nc1O 1804097740 VCRVIIRIAGVPPC-MUJYYYPQSA-N 461.482 0.957 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2c2cccnc2)CC1 1809672787 WATPAKPJWOUTTH-OFNKIYASSA-N 463.542 0.765 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814768116 QDHLVSZMAZWFRE-DUCBRTEQSA-N 475.464 0.309 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817361649 LPWVBLJSCSOSPW-DOTOQJQBSA-N 453.503 0.945 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)[nH]n1 1823521754 UGNBHUOXIGNYOE-HLLBOEOZSA-N 489.577 0.911 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c1 1830460548 QDDNZNPZBSSMNY-QFIPXVFZSA-N 468.470 0.892 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1831401807 GIQWKEPKWLIIPI-UUOWRZLLSA-N 457.527 0.497 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1831999506 ZUQSLSPUUYWRKF-UZUQRXQVSA-N 497.593 0.183 30 20 JCED COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1832581071 SCQATJADFISHIH-DEOSSOPVSA-N 473.574 0.761 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)cc1 1832873795 VFORDALCZZXSAP-VWLOTQADSA-N 479.537 0.705 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 1833075315 JNUZOAUEARMYTH-WAYWQWQTSA-N 458.519 0.967 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1833106649 DNPQHZZRBXKQRP-DVECYGJZSA-N 487.557 0.887 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(-c4ccccn4)nc3)CCO2)C1 1833289351 QJNZSTUYPNDZIU-MHECFPHRSA-N 465.510 0.647 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)nc1 1833598296 ITAQQAXYDYYSCV-XMMPIXPASA-N 483.546 0.607 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c(O)n1 1833698874 OXJKOBXMXBUYGH-QFIPXVFZSA-N 456.503 0.268 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COC)CCO2)C1 1834977675 UHYPHTXLULATGX-URZJWIJPSA-N 453.536 0.559 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)CC2)CC1 1835101793 IRXZXDZSULDMLR-VWLOTQADSA-N 466.582 0.275 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(N5C(=O)C=CC5=O)cc4)C3)C2)CC1 1835349733 UITQBFRYBDJORP-DEOSSOPVSA-N 464.478 0.490 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c(C)noc2N)CCO3)c1 1835626587 MWSQMUZTNVQLBD-QFIPXVFZSA-N 455.471 0.829 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1835644462 OTIKLCDSFYMOKH-IEBWSBKVSA-N 454.568 0.196 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)(C)C 1835675345 ORAJSOFHBLUOAX-FDDCHVKYSA-N 465.595 0.275 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1835681201 UDOLFBVOHOVDKA-DEOSSOPVSA-N 481.557 0.619 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)c4ccc(C#N)cc4)CC3)CC2)CC1 1836287429 SHNDYOWMOMCNKM-UHFFFAOYSA-N 480.613 0.908 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c4nccc-4c3)CCO2)C1 1836443120 RCISTMMVZZRPLT-QHCPKHFHSA-N 454.531 0.866 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837135374 GIHMZWKKTURYDT-AVRDEDQJSA-N 461.540 0.846 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837466874 REWZLNXRSJFNJF-JOCHJYFZSA-N 459.572 0.307 30 20 JCED CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493667 QFEUMCGCOCTOAW-AVRDEDQJSA-N 454.589 0.255 30 20 JCED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c2c1CCC2 1837562971 HSYLHGJYJQISMT-JJDHCWFKSA-N 455.515 0.691 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839174096 FWNMJAPEQOTABL-HSZRJFAPSA-N 476.530 0.100 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1839174265 QAYQWKGOZFLCSY-XMMPIXPASA-N 483.525 0.847 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1839175693 ZFIBAFINBQADRG-XMMPIXPASA-N 489.525 0.930 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1839185122 OFJLJOVAQCDJKG-NXMSCROESA-N 496.605 0.814 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)CCOC1 1839190855 IBNXFZRVDKBIKC-RPWUZVMVSA-N 492.573 0.820 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361678 YNJUCRISTQBLNV-VGOFRKELSA-N 478.571 0.150 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839371427 VIVPMHSHJQXZHX-XMMPIXPASA-N 452.463 0.925 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)o1 1839487930 MNHVGSLMLVSBJK-JOCHJYFZSA-N 465.470 0.439 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839666363 FVBPFGNQYSXTRH-RXFWQSSRSA-N 476.533 0.708 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C1)C2 1839738843 IOBLDYLGLYCIIT-OSPHWJPCSA-N 487.557 0.628 30 20 JCED COc1cccc2c1C[C@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C1)CC2 1839795084 XSVJBCIQPGPTPH-HOYKHHGWSA-N 456.495 0.345 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840063432 BSYNEAWGXUWBDW-CYFREDJKSA-N 488.541 0.774 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)COCCOCCOCCOC)CCO3)C2)C1 1840081908 OBTVDXLLVYGNAD-QHCPKHFHSA-N 470.563 0.105 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@]3(C1)CN(C(=O)[C@@H](C)S)CCO3)C2 1840163755 NSNIKXJBYWZQPN-ZMPRRUGASA-N 480.587 0.397 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840293347 VMLPEZYWNGMKMT-QHCPKHFHSA-N 477.583 0.890 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1840316284 MSHOSNKVGNRLOY-NZQKXSOJSA-N 490.582 0.518 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNCP(=O)(O)O)C3)C2)c1 1840713311 KBQJQTZMHLLKJF-KKSFZXQISA-N 480.458 0.108 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1840909335 RJKXESOMDLBDKS-MHECFPHRSA-N 488.541 0.774 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)CCO2 1840955908 SBAGHGUQRMQFNG-VGOFRKELSA-N 465.547 0.538 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NS(=O)(=O)CC)C1 1841583542 ARHREIRVUSJEBD-JKSUJKDBSA-N 470.592 0.434 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844298650 CRZJHXBKFSSHQD-KJGSPOTJSA-N 468.551 0.995 30 20 JCED C[C@H](C(=O)N1CC2(CCCN2C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1)n1cnnn1 1845137863 PNJHTPFQRJBKAT-MRXNPFEDSA-N 472.550 0.978 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1845199597 JENVFOZATXRWCW-HOTGVXAUSA-N 451.568 0.642 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(CCC#N)CCN2CCOCC2)cc1 502567496 BYWLOFINIZDIKA-INIZCTEOSA-N 451.549 0.386 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1=O 504701570 ACAKAJYIFPLFGU-UHFFFAOYSA-N 489.337 0.803 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(C)(C)CN(C)C 608911544 ANXHWMWTLVESKY-UHFFFAOYSA-N 460.575 0.902 30 20 JCED CCS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726401344 MUJKMCWRGHIVMQ-MRXNPFEDSA-N 481.600 0.715 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(OC)ccc1OC 726576814 BTKCGOHWAVOPDO-UHFFFAOYSA-N 453.524 0.679 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCS(C)(=O)=O 729671168 JOIWELRZASZOPY-UHFFFAOYSA-N 474.029 0.945 30 20 JCED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@@H](C)N1CCOCC1 729883041 XORWAHIZXDGOQN-HOIOSORBSA-N 465.576 0.663 30 20 JCED COc1ccc(CC(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 746533395 LCDASTZYUPYHNE-UHFFFAOYSA-N 487.534 0.990 30 20 JCED N#CCCn1cc(C(=O)NCCS(=O)(=O)N2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 748061141 NWOWGYMJPAFBIY-UHFFFAOYSA-N 462.488 0.764 30 20 JCED N#CCCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)s1 750226031 SPRBCTFSSDPNIN-UHFFFAOYSA-N 463.335 0.988 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 834857203 FNIGNXHAYREVLH-UHFFFAOYSA-N 461.496 0.885 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2Br)c1=O 838184392 RDJUXWNFVWRVMD-CYBMUJFWSA-N 480.384 0.973 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 917691426 GFKOBKCIDVPAIX-HEHNFIMWSA-N 463.541 0.936 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 917768212 DMGCPXUHUQIZLH-MRXNPFEDSA-N 479.562 0.667 30 20 JCED C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918259956 KHIOPQJNETYPSR-VKWHMPGMSA-N 451.549 0.275 30 20 JCED CC(C)CN1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)C1 1287738378 NXKMXXNNXMZANP-FGTMMUONSA-N 453.613 0.985 30 20 JCED CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)NCC(F)F)CCOC1 1314134940 QBZIKAUBXRHZRO-JOCHJYFZSA-N 490.515 0.905 30 20 JCED O=C(N=C1NS(=O)(=O)c2ccccc21)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1338290879 VDDXAJBJKWSANX-CYBMUJFWSA-N 475.504 0.889 30 20 JCED C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(=O)(=O)N(C)C 1509954185 UJCDYOWWKVVAGF-HNNXBMFYSA-N 483.620 0.825 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCCCCC2)C1 1555813362 NNSHIJAZEWXASN-UWJYYQICSA-N 497.597 0.846 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1706650971 LDIFXOUEFRZIQD-FQEVSTJZSA-N 453.547 0.879 30 20 JCED CC(C)NS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1706659489 PBBZDAVNFAQNLB-KRWDZBQOSA-N 458.548 0.573 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1729344179 ZNWIXQCXWBILJB-LJQANCHMSA-N 473.603 0.867 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(N(C)C)CCOCC1 1741942035 ZWTHKFJURXTTQC-SJLPKXTDSA-N 480.639 0.176 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCSC2)c1 1747603290 UOLPDXRYDAFWEJ-UZLBHIALSA-N 478.600 0.792 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)F 1747730726 MADOHEBCSPOZAG-MRXNPFEDSA-N 497.528 0.500 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749087592 XDRFDEXXDSWFSM-CABCVRRESA-N 477.429 0.955 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)N2CCOCC2)c1 1766942067 YIOUKMKOXJMTPQ-UHFFFAOYSA-N 487.586 0.794 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1=O 1771136739 YHLPDKXHOUYPGD-SFHVURJKSA-N 453.547 0.832 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777711657 HGDCVMYXXHCLED-SOIKWTOOSA-N 466.560 0.557 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778089768 CXVOYUMILFKWSQ-JBYIUTFZSA-N 471.620 0.499 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780202988 LTUFNRNPQKJWFZ-QHCPKHFHSA-N 483.529 0.404 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1781148823 RXYAZRYTVBLKPV-SBUREZEXSA-N 479.578 0.882 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781255767 HRVWEMTUJBCFAK-VYXDICFBSA-N 450.536 0.420 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781373208 ZQFXUBDTPBQOLK-QQMNAOGKSA-N 462.547 0.354 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4cc5n(n4)CCCNC5=O)CCO3)C2)c1 1781964274 WYRZFAMREWNPKI-HSZRJFAPSA-N 466.473 0.785 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782061030 VNUUARFLPFLRNH-ZJSXRUAMSA-N 464.526 0.781 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cc2C1 1782560516 JZYGCVJORFBKAF-HPTBBYBNSA-N 454.531 0.874 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)ccc2C1 1783562849 JFGQDSVGDFCKKX-VWLOTQADSA-N 498.536 0.906 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)CCO2 1783905614 AIFRIWLLTMXUJT-DEOSSOPVSA-N 497.577 0.911 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2)c1ccc(O)cc1 1784018699 WRFAJRNRKKKCTJ-DVECYGJZSA-N 453.543 0.559 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)NCC(C)C)CCO2)C1 1785575195 ZVKZEJJCIHDEAG-HXOBKFHXSA-N 464.563 0.505 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)c1 1786975055 KVSXQUGSXAHCPF-BJLQDIEVSA-N 475.509 0.515 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678811 RLLQRKDUZRQKMB-MGIBXXGQSA-N 463.487 0.173 30 20 JCED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)[C@H]2C1 1789134902 SAXFVSQYMIIZLO-MPGHIAIKSA-N 484.538 0.171 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1789838670 HQCNTYHPNLKPOZ-VJANTYMQSA-N 489.577 0.350 30 20 JCED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCCNC5=O)C[C@@H]32)cc1 1790142847 NLNLCNZKHNKUCA-IPJJNNNSSA-N 476.537 0.990 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]21 1792258478 GNOBCGVVDSUFBC-NRVHICEFSA-N 461.559 0.775 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2 1793359954 BCXAWYZDUAQNLQ-OGJJZOIMSA-N 483.562 0.624 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793629953 LAUOBQRGMFKAAC-XMTFNYHQSA-N 463.579 0.867 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)c(O)n1 1794089842 PRMQVAFCWRQXDL-REPLKXPHSA-N 476.599 0.888 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795086232 XJCQZRGJXCNYEA-KRXQYRFLSA-N 452.508 0.336 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(=O)OC(C)(C)C 1796393424 MZACLNFYOMBLAL-JCECYMMASA-N 455.552 0.707 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1797780678 GSMRLLQLDVCJGQ-UPHUGPLXSA-N 459.568 0.766 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2ccncc2)[nH]n1 1798145970 HDHMIPABFKQHDW-VQNZHGJDSA-N 450.499 0.533 30 20 JCED COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3n[nH]c4ccc(C#N)cc34)(C1)C2 1799885392 GQKSFIIDXPPGQF-NYZMPRBCSA-N 463.494 0.981 30 20 JCED CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778492 DXVFGOZNGWTKOC-JCEKIRTPSA-N 451.520 0.603 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2)NC(=O)OC(C)(C)C 1801930839 TXJFNLWTXOCGDC-QLCXLMDBSA-N 452.552 0.570 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2)NC(=O)OC(C)(C)C 1801931143 JJDZBJBUNLJDSN-AXVVYFOYSA-N 462.551 0.727 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1801989310 KAJOMJCTNPJMQD-VPTLXERWSA-N 455.446 0.936 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)cc1 1802576975 ZPRCVDQICNOKBR-CNNODRBYSA-N 460.494 0.800 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1808433372 SDKYNKWNVOIUFH-TXPKVOOTSA-N 457.487 0.195 30 20 JCED C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1)n1cnnn1 1813470941 OATQJQLEEMRDLS-KLTJCNSYSA-N 456.507 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CNC(=O)c3ccco3)sc2C1 1815645606 RUEJWGOHKLTNKI-WSROAFLRSA-N 457.512 0.937 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1819361335 VXQQLIGIHUWTPV-DLBZAZTESA-N 467.592 0.705 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC3)c1 1821384533 DBMNKYIXAFFBJZ-WFASDCNBSA-N 468.495 0.847 30 20 JCED COC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828811368 YUJMMGCBJZNUAH-JOCHJYFZSA-N 457.487 0.708 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]n3)CCN2C(=O)OCc2ccccc2)C1 1829034454 WGXGWVLWLKMQIB-HOYKHHGWSA-N 480.525 0.909 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN(CCO)CCO)CCN2C(=O)OCc1ccccc1 1829315911 RZGMTMFYRBIAEZ-VWLOTQADSA-N 488.585 0.301 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1cncn1 1829391885 RJVTXYBMKHEGSJ-UUOWRZLLSA-N 494.508 0.379 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOc1ccc(Br)cc1)CCO2 1829479384 GTEMZNFBMXARJT-NRFANRHFSA-N 495.326 0.762 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCOC2=O)CCO3)cc1 1831013927 ZRXDLRFZNPDIIC-HSZRJFAPSA-N 456.499 0.399 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831264341 STROJAZTCAJXCE-KSFYIVLOSA-N 468.551 0.048 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251577 IVVRHOSDWFJARB-WBMJQRKESA-N 471.404 0.599 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833149534 PBRQZSRUFBQDNW-LJQANCHMSA-N 450.536 0.603 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)c(=O)[nH]c1C 1833383532 CETGGEPFYDDECV-VWLOTQADSA-N 479.537 0.961 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833843937 IBPZMEFRLMSHLS-UZUQRXQVSA-N 492.577 0.745 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncn(C)n2)CCO3)c(C#N)c1 1833883585 XXMQTVINCSHJAP-QFIPXVFZSA-N 454.487 0.008 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1)N1CCN(C)CC1 1836170321 DQAJBWUXBSWTSC-GOSISDBHSA-N 455.607 0.707 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)CCO2 1836727968 WKECQMVXBJCZFQ-AREMUKBSSA-N 488.629 0.579 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837016492 ZPLIYDFTHNHFOC-NWBNNPRYSA-N 455.519 0.271 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C(C)C 1837227514 UHDDLMWBCKWSGW-ISKFKSNPSA-N 473.526 0.981 30 20 JCED C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447935 YNOYXEDKYPFMPE-KQLUBGJGSA-N 459.547 0.777 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524489 BXFSUZYQNNWLJU-WCBBMBKJSA-N 498.577 0.885 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837533585 WDEVJLQQBRNUDJ-HCQBAUJFSA-N 463.535 0.649 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838377996 WKIAEISCJZTZAP-UZUQRXQVSA-N 489.529 0.169 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c1Cl 1838595128 IUPVEXPJARHPMI-KSFYIVLOSA-N 460.918 0.808 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598017 KGEGARLETFCSIX-JTSKRJEESA-N 460.918 0.902 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905953 ILTGEWMXYYBDFT-YADARESESA-N 488.541 0.514 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)no1 1838950963 PZKGDYWVNFYDGJ-QHCPKHFHSA-N 467.482 0.954 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839043851 WRIMZTBPNUMDJL-XMSQKQJNSA-N 482.459 0.521 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C3)C2)c(C#N)c1 1839131534 JRPDVABBMUHXSQ-HXOBKFHXSA-N 493.582 0.246 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5ncnn5c4)C3)C2)c(C#N)c1 1839132267 BDUCAMOXROLBOT-VWLOTQADSA-N 490.520 0.922 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1839222617 TVPGYVQXZCLDTA-JTSKRJEESA-N 481.571 0.961 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1839226429 OJUXZIFQECGXNS-WHSLLNHNSA-N 472.539 0.087 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1839228076 SCGODNGRANMDFA-JTSKRJEESA-N 458.519 0.909 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1839664585 BHXVUGWQOXCZBF-QFIPXVFZSA-N 455.446 0.024 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839678097 PAHJGWFCWUKNGL-KSMLXTPASA-N 468.595 0.950 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839779657 IPVDOQNTCGEORD-KNQAVFIVSA-N 480.970 0.725 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839886266 QYBISKMXHYVXIE-YADARESESA-N 494.589 0.535 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1)C(F)(F)F 1839891243 SQJQFQYAJQLYSE-TVTNDZMWSA-N 499.486 0.741 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(Cl)c(Cl)c3)C2)C1 1840041312 DVEXDHBOQBSNNS-HXUWFJFHSA-N 471.293 0.917 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)C1 1840044008 HVMARBUNBPMCSO-GBXCKJPGSA-N 455.511 0.195 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044115 LSZNTTMZKQFWIX-DPSWKAHMSA-N 491.541 0.178 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CCO2 1840112165 DSZICRPSXXEOHP-UZUQRXQVSA-N 481.546 0.313 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1840219507 QDNQECPEUHKRME-BJKOFHAPSA-N 492.573 0.509 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1840840250 HUVVOFHTKGRZEZ-XMMPIXPASA-N 453.495 0.543 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])CCO2 1840886351 FLYYPFQJZFPGMR-IYZQMXKPSA-N 490.488 0.591 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1840912906 RVIXUUCYUFOWNS-DQMJNTIXSA-N 489.573 0.809 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196807 SBFBXLRRIWHXOS-GOSISDBHSA-N 457.487 0.535 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1847068751 FSKPHMJVJQBSOP-HOTGVXAUSA-N 455.577 0.787 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C1 1847089614 ZBIZUXAZNOXWRP-HJCTWCACSA-N 464.563 0.712 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 523256138 VGOANXXKNVGEOA-UHFFFAOYSA-N 477.546 0.258 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)ccc1OC(F)F 524281205 LWOCNAZQSWSAJZ-UHFFFAOYSA-N 480.493 0.280 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc(C)c1OC(F)F 608912273 QALWUHIGDFNMPT-UHFFFAOYSA-N 462.478 0.395 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(NC(=O)c3nn(C)c(=O)c4ccccc34)c2C)C1=O 779894599 KKKZBMASWMAOTN-UHFFFAOYSA-N 490.476 0.895 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 811832902 CNZQRVRRVQGJAX-GOSISDBHSA-N 482.580 0.713 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CCOC)c2=O)cc1 916198022 AJSOYJITMJGWCP-UHFFFAOYSA-N 470.595 0.070 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 917272466 VXJRYCSIZDIVMV-LJQANCHMSA-N 491.591 0.985 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2ccccc2)c1 918253726 YMTCYCRUKLFXMS-LGUFXXKBSA-N 471.539 0.984 30 20 JCED CC(C)CS(=O)(=O)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919333946 PDDBMKSHASAGFM-UHFFFAOYSA-N 471.557 0.005 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1298327566 WNKBBJBRMSEECI-LJQANCHMSA-N 470.559 0.901 30 20 JCED CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)N1CCSCC1 1360193288 WZNXOCXPNOUMLZ-UHFFFAOYSA-N 455.610 0.535 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589295740 JRRRJQHMGXLMLL-GFCCVEGCSA-N 499.457 0.657 30 20 JCED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1696333440 WQCLIDIKRCFLOR-SFHVURJKSA-N 474.591 0.689 30 20 JCED CC(C)N(C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1706886565 ADVXTCAVDMOIJE-WMZOPIPTSA-N 452.629 0.795 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1710989004 TZBJUMJLGBALIF-UHFFFAOYSA-N 494.600 0.951 30 20 JCED CS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1731019482 KASDNDXUDJGVQN-OAHLLOKOSA-N 463.539 0.669 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCC[C@@H]1C 1761498638 VKNJCORMGNBHLX-ROUUACIJSA-N 487.634 0.966 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1778970154 GMHKTUSLSVKROC-GCJKJVERSA-N 465.572 0.643 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)cn2[nH]cnc(=O)c12 1779138694 DYIVBTTXFKWMIR-XVWINKBRSA-N 452.471 0.487 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781111867 PEUXFNYPUYIILC-NWFVXXGESA-N 467.563 0.635 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1781166528 RJUTXUIUODKQJI-WZONZLPQSA-N 499.630 0.948 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1)NC(=O)OC(C)(C)C 1781319901 GQGPSBDKLBNHMF-VGOFRKELSA-N 455.552 0.685 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)Cn3ccncc3=O)C2)c1 1781485652 ZUFZHDSQCGBRIN-HYBUGGRVSA-N 465.510 0.951 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015285 FJZCDHVPYAEVCC-MCEAPILBSA-N 475.542 0.701 30 20 JCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1783203163 UWIDFKOLMCUBKD-SCLBCKFNSA-N 451.442 0.820 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1783269079 OUXCAFNUWMZDIB-PMAPCBKXSA-N 474.562 0.709 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C(=O)OC)s3)C[C@@H]21 1783531451 QSLFWRTVQVZZPO-DOCOLBGOSA-N 475.567 0.915 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783565385 SIZHRIGYYJAQRU-HXOBKFHXSA-N 463.531 0.942 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090301 PWIZJLFYTNEWIJ-AOMKIAJQSA-N 450.536 0.470 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)NC(=O)OC(C)(C)C 1785304531 BGASXBNURFYMNP-MHECFPHRSA-N 489.573 0.933 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1785575126 YJOPJUQCAPKZIH-AOMKIAJQSA-N 461.519 0.667 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(C(=O)O)ncn5)[C@H]4C3)c2c1 1785644208 SXEAOVLGZXXVLI-RFUYNDQBSA-N 475.465 0.830 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC#N)[C@H]4C3)c2C1 1786704572 YMASSLCWMBMSCX-BQFCYCMXSA-N 487.561 0.926 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C[C@@H]21 1788569875 BUEYILGGWNTAQG-NWFSVNAMSA-N 487.597 0.719 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1788660782 LQZDSNNFKAYCET-DSCBYRQKSA-N 450.536 0.508 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1789904397 NHOQQUJJJDTWJP-FKSLSLAPSA-N 495.621 0.418 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906294 JMTMSCIUFOICPD-QQDKQVRDSA-N 480.562 0.547 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)CO2)C1 1791022036 IWJNQAWAQUWPQC-MHORFTMASA-N 491.541 0.080 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]3C2)c(C#N)c1 1791301153 QILNJSIUBONEAK-SNRMKQJTSA-N 461.540 0.907 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4C(=O)C=CC4=O)cc3)[C@H]2C1 1792070651 CJWNXBMJXSGRSX-JBACZVJFSA-N 493.564 0.991 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc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c1cc(-c3ccccn3)[nH]n1)C2 1795599202 YBZHHDRITMIOAD-CWPLJXCYSA-N 451.531 0.957 30 20 JCED CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cc1O 1795599762 IPEZRLVRIYLVQC-XEMDLRDOSA-N 457.531 0.836 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnoc1COC 1796690403 SCMPGQKFVLTFTH-LORHWOILSA-N 476.530 0.941 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(S(C)(=O)=O)CC1 1797140721 FMJCRAOFTUGEAA-NRSFXHEJSA-N 458.581 0.049 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C2 1797706685 NJIUBLSKPOVVCY-RHQZKXFESA-N 481.590 0.785 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797840083 XOGDCWYBLVVJSQ-LLQNAPDVSA-N 478.546 0.829 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2)c1ccccc1 1797874496 ZFWVIQFETSQJQR-WEMPKCCASA-N 452.511 0.325 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](COC)NC(C)=O 1798642714 NJLQYULDJFEJES-RHQZKXFESA-N 464.563 0.692 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800800160 UYTUWRZTALOSKM-NRUGXNMXSA-N 481.546 0.071 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1803248677 NSCKTISBUZAPNH-QKLQHJQFSA-N 474.514 0.451 30 20 JCED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1803453991 KOPZLNBWZBJQPA-XFGYDDDFSA-N 495.605 0.681 30 20 JCED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804193152 UTWMSPVDFVMJPG-NZQKXSOJSA-N 478.615 0.801 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810279348 UOAWNMMOUNJPFK-HNZACBBNSA-N 466.542 0.874 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@@H]1c1cccnc1 1810339865 WLFSNWUAGLCZFZ-DOVSJBTNSA-N 459.499 0.621 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)/C=C/C(=O)NCc2ccco2)[C@@H]1c1cccnc1 1810470692 WAIOQJYTYANHAB-IBNLUQHFSA-N 450.451 0.641 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CS(=O)(=O)N1CCCC1)CC2 1814978981 XUIVXWIMKSRJCI-AWEZNQCLSA-N 482.632 0.763 30 20 JCED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n[nH]2)C1 1815797023 BKKRZVDFYXJXPA-MRXNPFEDSA-N 480.529 0.815 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816671612 RDYPFVYUVZCIQT-BRAIEQGRSA-N 496.534 0.996 30 20 JCED Cn1c(=O)n(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)c2ccccc21 1818702559 GSIMDVSCYIVFQT-LBPRGKRZSA-N 453.480 0.497 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)[nH]n1 1822200942 QZISNIAXRNHJHW-HNNXBMFYSA-N 465.426 0.796 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CN)CC2 1825873474 VAVFPKIXLSIOIM-MBNYWOFBSA-N 452.581 0.811 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)cc1 1829907273 FBHAKHQSGFSYFP-NRFANRHFSA-N 456.528 0.468 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCNC(=O)OC(C)(C)C)C2)C1 1831402779 RGPVFJGJEWUNOW-JPYJTQIMSA-N 467.563 0.786 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1831404047 HYEOCOUPKFRQII-HTAPYJJXSA-N 465.547 0.538 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)CC)C2)C1 1831999853 DNULFKFJHVKZOS-ZHRRBRCNSA-N 453.536 0.891 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)cc1 1833040149 OXTORVGENTWEIY-QFIPXVFZSA-N 468.602 0.655 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnnn2C)CCO3)cc1C#N 1833239644 ZUQVQVDFWCTSAV-HSZRJFAPSA-N 468.514 0.858 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)=O)CCO2)C1 1834719891 HTIIBLQGJMXVOH-YKSBVNFPSA-N 473.526 0.903 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)cc(C(F)(F)F)c1 1835123955 KLZSNFLZLILMRI-UWJYYQICSA-N 480.443 0.926 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835364618 BBTZHMWEBCMTIE-OFNKIYASSA-N 460.506 0.633 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835974094 ZJLSABQMPVVNFY-BLXMRYOQSA-N 452.943 0.465 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4nnc(C)s4)CCO3)C2)c(C#N)c1 1836081140 GRCMBYOWXLEZII-HSZRJFAPSA-N 485.566 0.968 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836321706 CJXXWCAKJXCWBK-FOIQADDNSA-N 498.462 0.489 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1836935277 CPFJVOAVUMNWQR-XBKFQHLESA-N 453.499 0.491 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1837397176 RWTWRQNGVQSXIV-SBUREZEXSA-N 457.531 0.681 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)o1 1837443878 LYXJDUOCICSSJS-XMHVBLFMSA-N 461.519 0.780 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837474826 BKCZKBBDPISZML-UUOWRZLLSA-N 464.526 0.848 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486682 MKESEFLHWANGPH-NRFANRHFSA-N 463.560 0.348 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1837564204 CJCLROCIAZANHZ-PPIYXURKSA-N 482.493 0.890 30 20 JCED O=C1CC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)N1 1837736804 DSMAIIHSDRSTNF-OXXSMZSFSA-N 450.536 0.793 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)nc1OC)CCO2 1838177189 ZEVLOOGEEBLNPW-HSZRJFAPSA-N 461.515 0.978 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1Cl 1838598137 RGJLSRLIOPVCOJ-QFIPXVFZSA-N 487.900 0.856 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1)n1cnnn1 1838600164 UGGCMCRAOSGFJT-VLIAUNLRSA-N 459.894 0.529 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc5ncnn5c4)CCO3)C2)c1 1839049450 ZAGQMWVNEHRRIM-RUZDIDTESA-N 490.520 0.922 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)CCO2)C1 1839082790 QCKRFRXGOQGASH-YDLHNXBPSA-N 463.575 0.417 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839378793 DGZYELOOGAEMEL-FDDCHVKYSA-N 453.499 0.376 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c(Cl)c1 1839423710 RQDMPSIOPQNKLH-IBGZPJMESA-N 451.936 0.908 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1839874355 CGTUUZGWBFAPPA-XFAGBWLFSA-N 494.589 0.438 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)C2)C1 1840043457 ZWNGZDQXONFXDK-QFIPXVFZSA-N 472.885 0.888 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1840108119 JWFATXSZIBWJBG-GGUMNFRJSA-N 494.589 0.603 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840164945 UFLQYCVTEAASLX-AVCGMFPDSA-N 499.630 0.643 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251559 LNJMEJKMLTXCQJ-GACJPCPCSA-N 491.585 0.901 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840327237 YXLQUPPMJVQCCE-HOYKHHGWSA-N 489.573 0.715 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840908625 CUXZRZWKTBLJJE-NTKDMRAZSA-N 489.573 0.336 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840909601 XGBGCJBZJUGGKV-NTKDMRAZSA-N 488.541 0.307 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1 1841301180 FDNPTMZFTVWWLM-SJORKVTESA-N 494.589 0.992 30 20 JCED N#CCN(C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)c1ccccc1 22177549 LTYUPJMGDDGDLQ-UHFFFAOYSA-N 458.496 0.884 30 20 JCED CN1CCN(c2ncccc2CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 109258659 GRRSDKMHLDFTFC-UHFFFAOYSA-N 483.598 0.921 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 509581829 ABWAYWKNSSBPFX-UHFFFAOYSA-N 491.595 0.136 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CC(C)(C)CN(C)C)CC1 514462277 WPHKXUBPYTXGPT-UHFFFAOYSA-N 482.654 0.560 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3cnn(CC)c3)c2=O)c1 523576995 NSBWCMTYLNTWTG-UHFFFAOYSA-N 479.562 0.876 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCCSC 604118548 LAHLGYSKEJYMSQ-UHFFFAOYSA-N 477.633 0.872 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCNS(C)(=O)=O 608912952 LYPJFYNGAQXSEP-UHFFFAOYSA-N 468.988 0.140 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 726159715 PJKQURILOPWTIT-LTGZKZEYSA-N 454.534 0.372 30 20 JCED COc1ccc(OC)c(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)c1 726577424 LTHARARDNSHWHS-UHFFFAOYSA-N 481.534 0.012 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 728535677 CDCVTQPAOHXIAL-GOSISDBHSA-N 461.544 0.340 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CC1 728589602 ITDCBDYGSAZKLB-OALUTQOASA-N 496.655 0.409 30 20 JCED Cn1c(=O)c2sccc2n2c(COC(=O)CNS(=O)(=O)c3ccccc3C#N)nnc12 919034402 QYEDABOZAMPVNX-UHFFFAOYSA-N 458.481 0.536 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1298188428 PCZIIVXXMGXHLR-INIZCTEOSA-N 482.588 0.243 30 20 JCED CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1299033925 QIQXYRCPTGRQOC-RUZDIDTESA-N 494.600 0.855 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CCO1 1301912198 LOWUHLXZMAJRFX-JOCHJYFZSA-N 483.573 0.792 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 1442031889 MNHQNZUPVDLHKN-YVEFUNNKSA-N 459.450 0.915 30 20 JCED CC[S@@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503291543 SGVOROORGBWCCT-PBNKOMEISA-N 480.620 0.250 30 20 JCED COC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1504578791 JWBIAEJEQVQDGC-FUHWJXTLSA-N 477.591 0.748 30 20 JCED CC(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1508871264 KJGVBTLEWFSRQC-GBESFXJTSA-N 481.623 0.460 30 20 JCED COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1518972604 IRIUUSBJPFKUIX-HTAPYJJXSA-N 492.602 0.986 30 20 JCED CC(C)(O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1597809011 KWFOIJNCXHDAHB-KRWDZBQOSA-N 459.576 0.934 30 20 JCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)CC2)cn1 1679562363 ZCWCYLIZUHYBBN-UHFFFAOYSA-N 458.548 0.372 30 20 JCED CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)N1CCOCC1 1692532501 UBUULWCIVVHUED-UHFFFAOYSA-N 494.600 0.859 30 20 JCED CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1708633052 ITSYRDFMYLIUER-UQBPGWFLSA-N 480.617 0.920 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1750218729 WWNYVULXOSNRLT-MRXNPFEDSA-N 459.532 0.089 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)c1 1770309120 PGNVRSWUFHNKFO-CYBMUJFWSA-N 454.459 0.459 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1)c1ccccc1 1779189694 WNUIDLYDOUVAGR-RCZVLFRGSA-N 457.571 0.300 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c(Cl)c1 1781105068 FUDJRRPCEVTJDZ-GSHUGGBRSA-N 473.917 0.937 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c(C#N)c1 1781175943 UKDUHPZPXCLLEW-QHCPKHFHSA-N 451.483 0.808 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781338721 KVNSBUGGHGXSJN-GAJHUEQPSA-N 481.594 0.374 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c(O)n1 1782954214 CCHFFOMSUUSRAL-GCJKJVERSA-N 463.556 0.927 30 20 JCED CS(=O)(=O)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1F 1783060105 FIWPYYOITIMSJV-DYESRHJHSA-N 466.487 0.445 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1)c1ccccc1 1783257945 JRTPDJYNDQLHRI-RDGATRHJSA-N 457.571 0.300 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1785598234 NLQOCVUPYYXAQS-KEVBDDOHSA-N 495.573 0.902 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785783772 DUMKEEDYZHGBSV-JKBKZWBZSA-N 485.585 0.592 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1)c1ccccc1 1786801235 RRNXWMLTLLALJK-YFNVTMOMSA-N 454.571 0.756 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792109112 UTXTZVVWKNRYNE-VJANTYMQSA-N 466.579 0.962 30 20 JCED CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1792260887 VERFOYHUZQYMBK-NXOAAHMSSA-N 451.520 0.748 30 20 JCED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793046054 BYKHBVOGNJKVNN-UPHUGPLXSA-N 452.511 0.741 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793165062 CLTDHSGMOMXPCG-AJYBTWMASA-N 492.573 0.725 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)c1ccc(C)cc1 1795320744 SFUVCENDBTWZBW-UGNRZPKXSA-N 450.557 0.949 30 20 JCED O=C1CSc2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)cc2N1 1800037449 DELCGNCEONTRCV-LZAWPFAUSA-N 489.554 0.858 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)OCc2ccccc2)CC1 1800823584 IHJLBKHLEMWCBH-SSTJLMRISA-N 482.537 0.652 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 1801001879 OUGYSDLIDSJPNY-URIBORFWSA-N 476.574 0.525 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cc1F 1801871215 DGYVPYLFLVONBX-GQKLUMADSA-N 480.562 0.904 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)nc3cccnn23)[C@H]1c1cccnc1 1802487311 HEWMNAJSZPYQHT-DNYPJJFXSA-N 487.520 0.663 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1802490975 WROBOGGHGJYQJA-HJFVRIBHSA-N 466.498 0.520 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1803549484 YZZRNWNZIPQCCF-AAIMPIBUSA-N 455.559 0.290 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1810331810 ONHNUEKGZAZMLP-URXFXBBRSA-N 472.586 0.073 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810393937 YFQBGRMGMGPNRR-CZYHQBNWSA-N 457.487 0.864 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cc(=O)nc3sccn23)[C@@H]1c1cccnc1 1811268071 YBLQSEGGWPEVEZ-KUHUBIRLSA-N 451.464 0.559 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819674598 JTRRJOXOVWTQBX-AAEUAGOBSA-N 474.543 0.848 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819708742 CKQWYSBXJKLZEH-IINYFYTJSA-N 457.516 0.673 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819774737 SYYCXNVWXVLZTM-OWGFIJSYSA-N 469.531 0.572 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CN(CCO)CCO)n[nH]3)c2c1 1822026930 VCCZYRVZUGNPDY-LJQANCHMSA-N 480.529 0.750 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822027288 HKEPUFKMCVENKP-IBGZPJMESA-N 470.530 0.639 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827401817 OYSCRTSHPIZBBU-SJORKVTESA-N 457.535 0.619 30 20 JCED CN1N=C(C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCN3C(=O)OCc3ccccc3)C2)CCC1=O 1828804313 MDCRATBACPHDDK-DEOSSOPVSA-N 480.525 0.960 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807938 ZNMLLUDVLSPOFL-HYBUGGRVSA-N 485.541 0.503 30 20 JCED C=CCC(F)(F)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829313373 LEACWOSDRPFPBE-PGRDOPGGSA-N 479.528 0.936 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1ccnc1 1829330172 ARFYUMCSJPFGQK-UQBPGWFLSA-N 493.520 0.984 30 20 JCED CN1CCC[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)C1 1829334245 FQKBFSGJRTVDKT-LVXARBLLSA-N 496.564 0.868 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)[C@H](O)C1 1829690526 BSNXIQXBTJDZAQ-RHGYRFJNSA-N 494.589 0.610 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1829763775 AEFCZOZWRYXUEY-UZQCKINESA-N 457.531 0.076 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209610 YZGIVTFBZKRHKU-NTKDMRAZSA-N 477.558 0.492 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1)c1ccc(O)cc1 1831280510 DJBGWKMWGVBGRR-YADARESESA-N 457.527 0.482 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1831426990 OPOYIHNZSPRUSN-HTAPYJJXSA-N 458.519 0.402 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)cc1C#N 1831579197 UQFXJPKVPWALSR-WMZHIEFXSA-N 472.498 0.524 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1832453332 VGLBNLAVODYDOZ-FQEVSTJZSA-N 452.533 0.687 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1832458611 SXTNYFRVCHOSGE-JBYIUTFZSA-N 451.589 0.763 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1832729493 GFXKGTOXHFDEOQ-DEOSSOPVSA-N 481.484 0.592 30 20 JCED CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1 1833105516 CWLRNGRCVUCSJK-UHFFFAOYSA-N 454.575 0.944 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833148989 WEJVXABSXNRNSS-QGZVFWFLSA-N 451.568 0.951 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1833482036 ZQUMIMYRPFVUPR-KEGWNNHHSA-N 468.620 0.097 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(S(C)(=O)=O)cn3)CC2)CC1 1833998005 MJHUOEBEYLAUOL-KRWDZBQOSA-N 476.599 0.709 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)c1cc2n(n1)CCNC2=O 1834325947 DPTQFCSSYIYVNG-MFKUBSTISA-N 481.557 0.524 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)CC2)CC1 1834663297 LEIOGIIGBSSFJZ-LJQANCHMSA-N 491.637 0.348 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1835112083 KJJYYQAOVTVKSD-JCGIZDLHSA-N 479.647 0.934 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)c(C#N)c1 1835652677 RIHUSWCJVRWMJM-JOCHJYFZSA-N 475.571 0.583 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1835674484 JTSZOQUFHKTBCR-QFIPXVFZSA-N 455.519 0.081 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1835675344 OOGNQIVXJQXVDQ-QHCPKHFHSA-N 469.546 0.170 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1835682887 XRHQHQZJNGRLPE-RDPSFJRHSA-N 455.559 0.761 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nc(Br)nn4c3)CCO2)C1 1836255736 QPEPUVNABFPRJG-XIKOKIGWSA-N 484.376 0.880 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)c1 1836258081 RQOKNDFVSHJGNJ-QFIPXVFZSA-N 485.522 0.094 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)n(-c2cccc(=O)n2C)n1 1836259995 OYOFEBMHPKWIRS-HSZRJFAPSA-N 468.514 0.253 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2)C(=O)O 1836321868 NTOHRQBTPCTZKA-QRWLVFNGSA-N 499.446 0.105 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc4ccccn4n2)CCO3)cc1 1836392736 XGEVQPRMJBOQBY-XMMPIXPASA-N 460.494 0.914 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836767633 NLKZQRROILBXAO-XMMPIXPASA-N 464.607 0.599 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1837486554 JHGFTXTXHNEHAL-RUZDIDTESA-N 481.553 0.586 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837528362 HROBWDSKDOMCTE-PHBSZKRHSA-N 472.502 0.328 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccnnc4O)CCO3)C2)c(O)n1 1838367875 SVSYKSUNZZLECM-HSZRJFAPSA-N 469.498 0.785 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1839176297 GWIBROZPJNQIEZ-QFIPXVFZSA-N 469.535 0.477 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)ccc1F 1839186894 VSSNYXUDFHPURT-QHCPKHFHSA-N 483.456 0.498 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210507 SGSOKWHBMIKZBD-BSRJHKFKSA-N 469.579 0.931 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1839222972 GWYFLFPVBMALIS-PGRDOPGGSA-N 452.552 0.646 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)cc2C1 1839621563 FOHGQGYEHNUUKP-DEOSSOPVSA-N 487.605 0.070 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)CCO2)C1 1839787528 ZKPUKUMRRNGDSQ-AOMKIAJQSA-N 463.462 0.771 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3[C@H](C)OCCN3C(=O)OC(C)(C)C)C2)C1 1839806127 BAPZILMWJRICKB-CECAUBDESA-N 451.520 0.100 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccc(Br)cc4n3)C2)C1 1840042947 YBRDFHDCWMAFPQ-FQEVSTJZSA-N 491.298 0.255 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1840060382 MGFFTFPXCQZRRB-STSQHVNTSA-N 499.630 0.732 30 20 JCED Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840492209 HLWUNXFBZZHHQO-NTKDMRAZSA-N 458.559 0.908 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1840549479 RBBLKCXIFAMNAF-SGSXCFNPSA-N 470.569 0.378 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1)NC(=O)OC(C)(C)C 1840795655 UXTPSVJJEJBOII-SBUREZEXSA-N 492.577 0.745 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C(=O)OCC)CC3)CCO2)C1 1840816853 TWIGBAPHRMHPCS-JPYJTQIMSA-N 465.547 0.350 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)CCO2)C1 1840866813 DPOROEXWZZNKOQ-UUOWRZLLSA-N 479.574 0.738 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1 1840908805 HLRSYIKQORGIHI-MHECFPHRSA-N 487.557 0.772 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC)C2)C1 1840912734 OCVUADVOSGHDFL-HJOCRKTISA-N 480.606 0.910 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1841748571 DFBFJQWXLODUSP-INIZCTEOSA-N 475.546 0.930 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCCC#C[Si](C)(C)C)n(C)c1=O 1848150633 QISGROMOJHZUBR-ROUUACIJSA-N 498.660 0.687 30 20 JCED CCOc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)cc1S(=O)(=O)N1CCCCC1 11460962 INUUTDUOJNNXAP-UHFFFAOYSA-N 475.527 0.631 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(Cl)c1 502054116 XMTUOQDKYGQTOP-UHFFFAOYSA-N 457.943 0.942 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C1CCN(C)CC1 517991961 QZGAAGMBLLWCER-UHFFFAOYSA-N 454.552 0.933 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(F)c(F)c2)c1=O 523476788 LYJTWAHIANHAKA-UHFFFAOYSA-N 476.549 0.892 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3)c(=O)n2-c2cnn(CC)c2)CC1 523864625 XNWDJADJVUKCAS-UHFFFAOYSA-N 480.569 0.922 30 20 JCED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 604068880 WXKILWXNYCHXRC-OAQYLSRUSA-N 467.551 0.830 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1 642949175 WVUBUTVMKBBXAF-UHFFFAOYSA-N 494.595 0.998 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)c1 725918548 JDYODBIVJOGEMD-UHFFFAOYSA-N 451.482 0.041 30 20 JCED Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 726990236 JQZOIRWTGLMDMR-UHFFFAOYSA-N 458.456 0.809 30 20 JCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)cn2)c1 748114601 WEGQIDOARVLHPV-UHFFFAOYSA-N 459.484 0.462 30 20 JCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 748410288 SOJDIBSYLMTEPV-GDBMZVCRSA-N 456.542 0.955 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2cnn(C)c2)c1=O 837370486 VMZFGYBLGDJLBG-UHFFFAOYSA-N 495.561 0.983 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc(F)cc2F)CC1 838690059 MIGKSQJOSRMQOB-UHFFFAOYSA-N 484.532 0.578 30 20 JCED C#Cc1cccc(NC(=O)CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 916703363 HTMABKMUDDLXGV-UHFFFAOYSA-N 471.535 0.995 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 917688851 WPNPUJJEVUSKRK-LFVJCYFKSA-N 487.542 0.275 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2[C@@H](C)c2ccccc2)CC1 917794981 OZDGQCGTJIOPQZ-SFHVURJKSA-N 476.606 0.920 30 20 JCED COCCN(CCC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1292810789 UNBHMUGGNACGTF-UHFFFAOYSA-N 450.561 0.997 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 1301775016 LLXADDZSTRBRNH-DEOSSOPVSA-N 480.573 0.595 30 20 JCED C[S@](=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)CC1 1302508749 SRWLYPSFIBHRCZ-FOGNVHKLSA-N 470.621 0.652 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1360708166 RIKBWORGAVONSB-YJBOKZPZSA-N 473.607 0.574 30 20 JCED COCCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 1459894165 OLXOEIHWJDFGQQ-WOJBJXKFSA-N 452.552 0.670 30 20 JCED C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)N(C)C 1508424852 OIZSYYVBJQGURY-INIZCTEOSA-N 461.596 0.939 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CCO1 1517538083 LRCUEFGESXYPBS-IBGZPJMESA-N 453.547 0.879 30 20 JCED COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C(C)=O)CC2)cc1 1518337380 WRKWKDDHUHTGHV-NRFANRHFSA-N 469.546 0.759 30 20 JCED CS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1519524635 JERFWZSGLIFXDQ-MSOLQXFVSA-N 479.584 0.674 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)[C@H](C)C1 1539579909 RXXBPIJIMOONDN-ZIAGYGMSSA-N 465.418 0.954 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCCC2)CCOCC1 1541946287 SDYNNSDETWTDKE-SJORKVTESA-N 467.596 0.262 30 20 JCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1611214164 UCKONEOGONUUSL-HNNXBMFYSA-N 453.528 0.856 30 20 JCED Cc1c(C#N)c(NC(=O)CN2CCN(CCS(N)(=O)=O)CC2)n(Cc2ccccc2)c1C 1642180546 VGLPBAZUYYSVGJ-UHFFFAOYSA-N 458.588 0.870 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 1662238089 WWVPVFDZSIDNQD-AWEZNQCLSA-N 450.546 0.498 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCSC(F)(F)F)C1 1731015369 RKLDLHOQKVZAKV-NWDGAFQWSA-N 470.499 0.593 30 20 JCED CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)N1CCOCC1 1761476981 WCJPCWROHOIDAI-FUHWJXTLSA-N 453.613 0.985 30 20 JCED Cn1c(=O)c(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nc2ccccc21 1777887612 FKRPPYBDZOFFEM-BOBMVNQMSA-N 483.525 0.906 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104478 ABNAVAWACIALMX-PGJCHXKPSA-N 471.551 0.415 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1779225886 NVLLQDWCDGAETA-IEGUWTFLSA-N 474.562 0.661 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781310102 AZEPKJFLUOZTGL-YKSBVNFPSA-N 482.541 0.979 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1782147082 PRIPXJFLCHFIFO-YCRPNKLZSA-N 452.504 0.711 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c(C(F)(F)F)n1 1782659856 GQPXSKRLGUOIMH-HXUWFJFHSA-N 476.415 0.672 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)CC)[C@H]2C1 1784453254 LBIDNBMLDSXEGO-XSLAGTTESA-N 485.603 0.317 30 20 JCED Cc1cn(CC(=O)N2CC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)c(=O)nc1O 1785351388 KVVMJMMEDLOHBP-XMMPIXPASA-N 465.510 0.592 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376848 XPHQZIAXJAEHRZ-IIBYNOLFSA-N 464.544 0.095 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1785572104 JJZSWTWYUDSSEQ-IEGUWTFLSA-N 464.563 0.648 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1785608548 URTBMCHBXJFIQP-DFBJGRDBSA-N 484.553 0.637 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4sccn34)[C@H]2C1 1789136349 OLIFSPUXRQTDJN-ZOBUZTSGSA-N 472.571 0.631 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1)C(F)(F)F 1790654861 IMQHBEAGZFFBNS-YDHLFZDLSA-N 458.393 0.855 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1)C(C)(C)S 1790862982 UOMCDRXAJUGALY-IQWQSGHPSA-N 498.646 0.704 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791332321 AQPNLVVHNQOPIX-CHAZSLEPSA-N 495.617 0.911 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2 1792488429 AMHOBEDZAFYUQJ-VKDSVZAHSA-N 450.499 0.329 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)nn(-c2ccccc2)c1O 1794327359 BFPNMUGDYACZJQ-RKHDGKPRSA-N 479.537 0.948 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cc(Br)ccn2n1 1797573485 KTQRQLXUMGSUKD-KSPBDQMDSA-N 461.272 0.388 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1797838286 RSPDMRLMZNNAEG-UWBSXTGSSA-N 455.496 0.671 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C3)c1 1798575966 BGQWHVQYVLMIPA-PIKOESSRSA-N 488.541 0.656 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(CO)on2)c(C(F)(F)F)n1 1798732386 SPMOQSSRHZXYBS-CULMDFNYSA-N 465.388 0.969 30 20 JCED C[C@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800907677 GPRDDDQBEBGZGC-IBEHDNSVSA-N 458.625 0.773 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801052324 KSTDZPLDHCDTDX-GZXWBTJBSA-N 482.578 0.749 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2)c1ccc(O)cc1 1801057230 OASCGJWHNZDRRT-DAOUZZFVSA-N 468.510 0.077 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCNC(C)=O)C3)N(C(=O)OC(C)(C)C)C1 1801103169 GLGIHFPXQHHASI-DMUMMCEESA-N 464.563 0.668 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1801995654 GVZYWJKRMQADBV-FAQVEIGNSA-N 478.509 0.170 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)C2 1802024329 GUASAEOPWPVUIP-GVNFVFRUSA-N 461.559 0.748 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccco1)C2 1802124492 CRBZTGNUNKRIGP-LMCLKVLCSA-N 461.515 0.819 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)c2ccco2)[C@@H]1c1cccnc1 1802481425 JJJAZZRSPUQIDK-ADWLJLTJSA-N 465.510 0.969 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1803567095 KODSLSCOMVIREE-SIIHOXLZSA-N 452.475 0.118 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806699318 JKBVUXTXCOFYAU-GOSISDBHSA-N 455.621 0.521 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807950601 VALNTKKHUZCURC-XUWXXGDYSA-N 467.490 0.328 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811187804 RZSDFXVPUPBOFW-GJYPPUQNSA-N 452.515 0.863 30 20 JCED O=C(Cn1ccncc1=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1812343230 SJRJEPJZEODKBC-PZOAEKQQSA-N 451.531 0.816 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812443356 KBILVWYQKASVNR-PNYFIKQUSA-N 498.609 0.817 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)Cn2cnnn2)CC3)c(C#N)c1 1822807858 OCMMMADGUHTTAX-AWEZNQCLSA-N 452.500 0.865 30 20 JCED CCNC(=S)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2 1824498427 XEFYSXIPDJAISJ-GFCCVEGCSA-N 451.622 0.821 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825674730 NTVMYVUNHGBVMB-QKVFXAPYSA-N 478.527 0.515 30 20 JCED CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)COC1 1828513898 NVVQFOKIMBSFRU-DEOSSOPVSA-N 469.494 0.563 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CC[C@H](N)C(N)=O)CCN2C(=O)OCc1ccccc1 1828990081 MDHSNESYNJPKFG-CYFREDJKSA-N 471.558 0.607 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOc1ccc(Br)cc1)CCO2 1829479392 GTEMZNFBMXARJT-OAQYLSRUSA-N 495.326 0.762 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)CC2)ncn1 1830957446 JGLKKXVBZQIYIS-XMMPIXPASA-N 484.557 0.462 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1831393694 NKKBUEFMCZAJRJ-SPLOXXLWSA-N 459.528 0.382 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c(C)c3Br)C2)C1 1831396834 LSXNSIKZLDQBCL-QRWLVFNGSA-N 483.363 0.599 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1831397683 VWQXXRXRFLQBSU-NYQDVAGCSA-N 475.517 0.498 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CC(N)=O)CCO3)c(C#N)c1 1831608339 CVYQXUDTHXNIAM-QMHKHESXSA-N 458.515 0.077 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1831998063 CECKDAHLFSGUHX-MNRMEQJISA-N 467.563 0.683 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1832800055 GJGTWFFPMGAFIV-JOCHJYFZSA-N 468.470 0.742 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)CCO3)C2)CCC1 1833028671 RZNSFILMRYOQPS-NPMXOYFQSA-N 471.514 0.143 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnnn2C)CCO3)cc1C#N 1833239646 ZUQVQVDFWCTSAV-QHCPKHFHSA-N 468.514 0.858 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834326345 XFACUPZRTOKDKP-FQEVSTJZSA-N 472.590 0.385 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096958 MQVPBNPQUNMZAD-RUZDIDTESA-N 497.573 0.748 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1835521646 VOHYMJJGXPVECE-JLHGSKIFSA-N 454.568 0.507 30 20 JCED Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c2cccnc21 1835678104 YLLDBDKJGHMOMZ-DEOSSOPVSA-N 468.558 0.925 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1835755864 QXRXVADHTVZHDX-FDCKDHBTSA-N 490.557 0.765 30 20 JCED COc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c([N+](=O)[O-])c1 1836421581 MRHXSMOSBMKANC-UHFFFAOYSA-N 472.498 0.806 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837482948 GWHIDJACOVUUIU-GAJHUEQPSA-N 450.499 0.919 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)n[nH]1 1837588896 GZXGGLVUNJYCRO-HSZRJFAPSA-N 455.490 0.971 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc(C)c(C)[nH]c4=O)C3)C2)c1 1838580644 OZBRUNYUEPKDJC-XMMPIXPASA-N 481.509 0.651 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1838582585 ULVIERWTVGSHRY-OAQYLSRUSA-N 470.442 0.582 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1838584770 FXDZGTYLMVXQDE-SIKLNZKXSA-N 477.539 0.214 30 20 JCED CCOc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)cnc2c1cnn2C 1838736036 FWBDPPNNUWPGDN-DEOSSOPVSA-N 493.524 0.951 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CS(=O)(=O)N4CCCC4)C3)C2)cc1 1838950827 HPVPBXTUONTTHI-QFIPXVFZSA-N 476.555 0.054 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1c(F)cccc1F)CCO2 1838993153 FKTHETYPQJTGFE-FUMRIQNTSA-N 463.481 0.822 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c(C#N)c1 1839133165 BMFVQFHPFKHKPA-HOYKHHGWSA-N 470.526 0.092 30 20 JCED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487996 QDQDNAQFILCMKH-JOCHJYFZSA-N 457.487 0.168 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cnn6c5CCC6)CCO4)C3)c2c1 1839533885 ZKEODLDXPWMFJO-DEOSSOPVSA-N 475.509 0.961 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839635308 PBISEYFDPPKFQF-BWKNWUBXSA-N 482.585 0.491 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839684893 XRTBOQKHPXHUEC-DKQIIYKESA-N 471.507 0.533 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)C2)C1 1839809854 OLRJKAVXBHTSLO-NLFFAJNJSA-N 467.522 0.787 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1)C(F)(F)F 1839893048 MZOTVWVNUKOMTF-YJBOKZPZSA-N 466.409 0.056 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(Br)cccc4n3)C2)C1 1840042279 KUQMKKKRWPWBES-FQEVSTJZSA-N 491.298 0.255 30 20 JCED COc1cccc2c1C[C@H](C(=O)N1CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)CC2 1840044304 CKBGBIAJWIDRGL-HOYKHHGWSA-N 456.495 0.345 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)NC(=O)OC(C)(C)C 1840111830 MFPTTZSRBALUFF-MWTRTKDXSA-N 494.545 0.203 30 20 JCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1840147196 LRXINABKKJUMGH-PNCHPQGNSA-N 458.515 0.936 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1840163109 DDUDYSNFIQLCOG-YJYMSZOUSA-N 460.549 0.618 30 20 JCED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840201219 KFLZVCRBWQNDRZ-XMSQKQJNSA-N 463.556 0.507 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840218458 HJOANQRCMZYSBI-DKLXNKCPSA-N 497.589 0.406 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840289940 QYPOTLLWVPRZGG-GGUMNFRJSA-N 495.573 0.960 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840482935 IFDKXZMVUDWONT-XMMPIXPASA-N 457.527 0.363 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(C(N)=O)cc5)CCO4)C3)c2c1 1840648714 ZZGMODMSAXQPAL-VWLOTQADSA-N 488.504 0.917 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(=O)OC)cc3C)CCO2)C1 1840785499 MXYIUBASCLXWHP-HOYKHHGWSA-N 458.511 0.890 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1840806634 YWFKAZUDNCIJSG-DEOSSOPVSA-N 478.590 0.409 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840857093 IUDNULGXGFBHHM-DHLKQENFSA-N 497.527 0.843 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1 1840909321 QUNVZGKAWIPRQG-FDDCHVKYSA-N 475.546 0.705 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840913115 YIOHDOWDUFRUJM-UOIPHLHCSA-N 492.573 0.191 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)OCC(F)(F)C1 1845068309 ZDZIVVFEHWKAQN-CQSZACIVSA-N 471.457 0.549 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C[C@@H]2OCC[C@@H]21 1846196929 DFQOPKQCVBJCNL-ULQDDVLXSA-N 461.515 0.692 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 514145835 YPEJMAHAPVYQJJ-KBPBESRZSA-N 462.981 0.872 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C1CCN(C)CC1 518725143 FGFMUTHBUMTBGH-UHFFFAOYSA-N 484.578 0.561 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCNS(C)(=O)=O 520754149 ITALHHKAWGOUAV-UHFFFAOYSA-N 484.550 0.012 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)c1 524281397 VCUOMSHOHYVOLI-UHFFFAOYSA-N 457.552 0.929 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc4c(c3)CCO4)c2=O)cn1 563890317 PNDAAXNCXKXIAS-UHFFFAOYSA-N 465.535 0.316 30 20 JCED CN(CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 603441049 SBVWRAMFQJMLSD-IRXDYDNUSA-N 455.558 0.373 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)s3)c(=O)n2CC(=O)N(C)C)CC1 604269921 JFVWCWNUOXRXKR-UHFFFAOYSA-N 473.624 0.035 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1CC(=O)N(C)C 609323326 IAXGXOJLKRUVSX-UHFFFAOYSA-N 492.985 0.698 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1CC(C)C 613080524 CUZCZEOVPQTVAN-UHFFFAOYSA-N 461.540 0.910 30 20 JCED CCS(=O)(=O)N1CCC[C@H](C(=O)OCCc2c(C(=O)OC)[nH]n(-c3ccc(C#N)cc3)c2=O)C1 729088356 DCXPGQONDIJORN-INIZCTEOSA-N 490.538 0.971 30 20 JCED COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)CNS(=O)(=O)c1ccccc1C#N 748862276 DUZCGEBBKALSAB-CXUHLZMHSA-N 453.498 0.360 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)c1 800958116 IIIIGVMXHIBRQX-MRXNPFEDSA-N 496.567 0.811 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2Cc2ccc(OC)cc2)CC1 837968245 XWNOOAIULAYNFX-UHFFFAOYSA-N 492.605 0.367 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 917749256 CSIZGWODLFAJBE-JZJYNLBNSA-N 472.570 0.948 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 917750388 PXSRUFAOALPMRT-HAVVHWLPSA-N 477.524 0.830 30 20 JCED C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 918329897 JFSYRCIEMVHCPR-UHFFFAOYSA-N 454.508 0.499 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)cc1 918427529 LTXFTZGUJDIDNR-XHPQRKPJSA-N 487.538 0.690 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)CC1 1301763794 JSYNMKNZBDPVNZ-UHFFFAOYSA-N 485.614 0.994 30 20 JCED CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1303445155 YUTMWZVIVBVREB-UHFFFAOYSA-N 451.535 0.632 30 20 JCED CC(C)CC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 1317879311 GXTOKUMSTHRJIR-UHFFFAOYSA-N 461.588 0.581 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1501781019 UFRVDKPZBANZKD-UHFFFAOYSA-N 473.603 0.852 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1541910201 RXKNDGKNYXFPQL-HNNXBMFYSA-N 461.548 0.255 30 20 JCED CC[C@H](C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1613424834 ZZGSIWUAJNQYQI-UXLLHSPISA-N 466.612 0.370 30 20 JCED CCN1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1615895076 PVVNMKAJXHZCSR-WIYYLYMNSA-N 498.629 0.081 30 20 JCED CNC(=O)c1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1618610733 IJINFIOYLLBCDV-ZWKOTPCHSA-N 458.544 0.511 30 20 JCED Cn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1696883836 MUVAXHHLVMUPNC-UHFFFAOYSA-N 456.532 0.481 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1=O 1698076700 OYFRAQRDVBLGQF-WMZOPIPTSA-N 451.531 0.979 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1711407238 VJMZZSWVPXAGRJ-KRWDZBQOSA-N 452.519 0.905 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1723956230 LFDROKXVJRLOSM-CVEARBPZSA-N 453.569 0.410 30 20 JCED CC1(C)COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1724032918 UOBUFAJRYBOMTE-UZLBHIALSA-N 485.586 0.164 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1)C1CCN(S(C)(=O)=O)CC1 1747623509 JIWAAKRNBVRKCP-UHFFFAOYSA-N 487.586 0.536 30 20 JCED CS(=O)(=O)CCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1771354654 SRXUYKJCGAFYEC-OAQYLSRUSA-N 487.630 0.806 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778053119 JVYBPSRCLIRDIW-JOCHJYFZSA-N 468.539 0.934 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCN4CCOC4=O)C3)C2)c(C#N)c1 1778158381 FFIJATNERZGKRX-HSZRJFAPSA-N 456.499 0.782 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nnc3cc(C)nn3c2C)C1 1778555510 GMOOBFNDTVWHIM-IIRYRQSKSA-N 481.557 0.727 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778892882 MWWSWKAWUDLPKX-XVDYNPRASA-N 451.398 0.451 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1779100680 DBCMRTJZXKMRNP-HFSPCEDCSA-N 463.491 0.671 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CCC(=O)N2)C3)c(C#N)c1 1780686953 SKYLOIGAOGUNTI-DCLXLUIPSA-N 454.527 0.902 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CC(=O)NC2=O)C3)c1 1781147684 KUPXNWZYOIADTR-WZONZLPQSA-N 453.499 0.546 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1781379502 DLXOYZZFOGWXRS-UNMCSNQZSA-N 476.636 0.857 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Br)ccc3[N+](=O)[O-])C2)C1 1781669251 YUGIKURABKZKDI-SFHVURJKSA-N 466.244 0.889 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)C2)c1ccc(O)cc1 1782257960 YBPSMVVLMVRZAU-JDRJUVJTSA-N 499.564 0.946 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](C)n3cnnn3)C2)c(C#N)c1 1782603122 AJPIXQSSCBQLDN-AYPBNUJASA-N 467.530 0.871 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1783275883 ATFJCJGQRVJMIO-NXHTTZLHSA-N 477.562 0.573 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1783765268 KPISHVAYTGIFGB-WJONJSRFSA-N 452.552 0.797 30 20 JCED Cn1nncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783779218 BFSGIKWEXZSPIR-VFNWGFHPSA-N 482.607 0.860 30 20 JCED COC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1784261052 ZLDCBDIWHNJXRU-QHCPKHFHSA-N 493.561 0.713 30 20 JCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4C(=O)c5ccccc5C4=O)C[C@@H]32)CC1 1786695316 URJNSRPAACHZKY-SNRMKQJTSA-N 450.495 0.956 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)[C@H]2C1 1788093452 XUOLYYXBUKKFBQ-ZWMUSQMVSA-N 493.601 0.622 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788111330 RRMJQRRRNKOBNO-BVBHFADKSA-N 472.608 0.439 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3CS(C)(=O)=O)C[C@@H]21 1788571356 HQGGVUNEKNEOJF-UHMOLFJZSA-N 479.599 0.793 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)C[C@H]2C1 1791010864 URINWMPPUKUVDS-DFQYRXGOSA-N 475.542 0.701 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1791102563 ICDKZAMPOHCKHN-NXOAAHMSSA-N 478.546 0.726 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1792257532 WDKNEKAPGPGPDD-JHMURPNPSA-N 488.585 0.718 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1cccnc1 1793147564 DLHVKYMIEKMAHZ-WOUAJJJCSA-N 472.498 0.325 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)C2 1793347925 PVRJIHNEYAKMED-TZGYDXHLSA-N 479.574 0.375 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@H](N)C(N)=O)C2 1793831344 ALOYWCBIVUNHPG-BQJWPVKWSA-N 451.568 0.687 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCS(=O)(=O)CC2)c1 1793837309 JPIVBEAQLWMDBB-ALOBAPJISA-N 474.583 0.247 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O)C(C)(C)S 1794012695 JXMZZDRCIHMCOJ-UMPJEAMMSA-N 497.618 0.778 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)ncn2)C3)c(C(F)(F)F)n1 1795997084 UUJIWKUXCHNCKU-CULMDFNYSA-N 462.388 0.985 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOC2=O)N(C(=O)OC(C)(C)C)C1 1797168231 MGYKYJYQNRQQPU-DMUMMCEESA-N 492.573 0.984 30 20 JCED Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c2ccccc21 1797171072 IFVFTEOJVJHZHU-UPHUGPLXSA-N 468.558 0.211 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(N4C(=O)C=CC4=O)cc2)C3)c1 1798696061 XIJUVGLCFBBKDH-FAQVEIGNSA-N 459.462 0.833 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2N=C(C)CC2=O)cc1 1798978111 CZPNKKKZRKZHEA-KALPFLKPSA-N 479.537 0.861 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)c(F)c1 1801868804 KCVNIKJGLCFZSJ-JNNRSPCRSA-N 452.504 0.471 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1802151507 FVVUDQFRBGQBTD-IECFSIQFSA-N 469.579 0.831 30 20 JCED CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1)C(=O)C(=O)O 1819777686 ARBLDBIBQOPZCF-HMASQMOLSA-N 450.521 0.070 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)COCCO)CCN2C(=O)OCc2ccccc2)C1 1829232786 WSMHMOFDCDPLIU-JTSKRJEESA-N 465.572 0.766 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829898566 JUKLOARNBVLVOC-JOCHJYFZSA-N 461.540 0.463 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)C2)C1 1831401894 HQCXIMFQRWDWNG-GLDPYIMESA-N 479.574 0.951 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1831437646 FOVBKPHSNUZZLG-KHCICDEESA-N 459.543 0.852 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832109540 OCHDEHGWMLHSPI-QFIPXVFZSA-N 491.570 0.608 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833034662 HWZUAJUPYIWWKZ-DEOSSOPVSA-N 498.561 0.885 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)CNCP(=O)(O)O)CC3)CC2)cc1 1833039935 AEITZQUGWYIUMX-UHFFFAOYSA-N 491.529 0.787 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)Cc5cncnc5)CCO4)C3)c2c1 1833125020 FTTKWEXQDSAYPR-HSZRJFAPSA-N 461.482 0.537 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(N(C)C)c1)CCO2 1833359678 UANBRGYTJQTJBR-UZQCKINESA-N 457.531 0.076 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(Cl)c(CC)nn1C)CCO2 1833590707 MROCMZYFRQMDML-DYRFGFBLSA-N 479.965 0.564 30 20 JCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(F)c1 1833631481 UTDRPBJLIVQQLE-JOCHJYFZSA-N 463.510 0.581 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(=O)(=O)c3ccc(C)cc3)CCO2)C1 1835183734 DGOODOHAJSDNDI-WMZHIEFXSA-N 478.567 0.263 30 20 JCED O=C(CC(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1835327923 BEUMMOGJVVBGBI-LBPRGKRZSA-N 454.295 0.750 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835435911 WURQSXNUDNFCKT-HOYKHHGWSA-N 494.589 0.228 30 20 JCED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835625918 GVSFSMDJYDDYBY-XMPRZIBXSA-N 451.480 0.164 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1835673011 RBKSKIMWRHUFQL-DEOSSOPVSA-N 499.547 0.758 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nc2ccccn12 1835677306 MHVDAIYHJCTPLA-DEOSSOPVSA-N 468.558 0.995 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836322078 ZAKKLVXEJFXBKZ-LHSJRXKWSA-N 497.474 0.909 30 20 JCED COC(=O)C12CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)(CC1)CC2 1836709052 CUCYAUBEWUSTEV-XPPIMPSXSA-N 462.499 0.044 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837382374 XZUSLEAMAXQGDJ-QRQCRPRQSA-N 477.949 0.989 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1837399631 YFZCHEHIYHVDNV-ZHRRBRCNSA-N 469.485 0.887 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)N1CSCSC1 1837444299 WXMIZKKJKUDZRI-CMQXEDBBSA-N 485.676 0.958 30 20 JCED CCc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)co1 1837531304 IMUBVDWSWKPJAA-KQKDOZOKSA-N 450.492 0.836 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1)c1ccccc1 1837612325 CEBAFJRSMLJHDA-TYBLODHISA-N 453.539 0.919 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2ccccc2=O)CCO3)c(C#N)c1 1837689185 PHOCDDKZZYOFEF-NIYFSFCBSA-N 494.548 0.989 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1837792412 JBPIYGALDWLAAI-HXUWFJFHSA-N 456.547 0.759 30 20 JCED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c(O)n1 1838671484 KRZNBAAUERLYFD-BPRFCRFOSA-N 462.503 0.695 30 20 JCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838741986 KPQKLYPORNCCKK-PMAPCBKXSA-N 458.515 0.936 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907263 IKPBKKXERBIMEW-GAJHUEQPSA-N 450.499 0.919 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839384612 LUFIMPFSUATKMU-PGRDOPGGSA-N 471.551 0.269 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccnnc5O)C4)C3)c2c1 1839488463 TWSPLRJNMSXJON-QFIPXVFZSA-N 463.454 0.314 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(I)c(CC)nn3C)C2)C1 1839808141 TWVCWPBDNRGGOD-SFHVURJKSA-N 486.310 0.290 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1)CCO2 1840143813 FLWIEHZLEAIPFO-HPFFPRQGSA-N 477.558 0.281 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1840164541 NDUMLAUWYDVKBZ-YBNNGBBJSA-N 499.630 0.520 30 20 JCED COC(=O)CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840235675 IDXNOLHNXKFCQA-QHCPKHFHSA-N 466.579 0.848 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=COCC3)CCO2)C1 1840563169 FGDAQGAJQAVXCG-JPYJTQIMSA-N 463.531 0.664 30 20 JCED CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840583354 KLSAJXQOZWJBRR-ANGWPBNBSA-N 466.579 0.845 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(OC)c1C)CCO2 1840642405 YFTYLUDWHVJSMZ-HMLKYZKVSA-N 457.527 0.932 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCS(C)(=O)=O)C3)C2)c1 1840716654 PHKLLDDAAFWGCE-JTSKRJEESA-N 463.556 0.818 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840770489 BLFYUETXMIWLBU-CJAUYULYSA-N 481.505 0.224 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCN(CC)CC4)cc3)CCO2)C1 1840774120 NAUPHCDIQRAHQS-AJTFRIOCSA-N 498.624 0.937 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818698 RDAHURPVGXMNLK-XMMPIXPASA-N 472.542 0.700 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn1 1840819609 VYFNWROAZGGDQD-RUZDIDTESA-N 494.504 0.889 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840856015 BGUITQQLXPMZDA-DHLKQENFSA-N 471.529 0.743 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840882113 AFJHXRUMJLPFJD-HJPURHCSSA-N 496.561 0.449 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840895594 ZRBYUWRDFZLTPC-HXUWFJFHSA-N 471.601 0.286 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843009937 ZBTYSQGMVRODBW-QKFKETGDSA-N 483.529 0.704 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1844236483 QGORVZUPFJTCTO-SFHVURJKSA-N 468.558 0.956 30 20 JCED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)cc1 1845873384 NDKSLRIUBJZJLB-RBUKOAKNSA-N 481.578 0.484 30 20 JCED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(CCC#N)CCN2CCOCC2)CC1 497519108 UKPGIPNSAQINSD-UHFFFAOYSA-N 492.598 0.948 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1OC 501998272 FGKNHZYCXLQWNZ-UHFFFAOYSA-N 453.524 0.297 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3nccnc3c2)CC1 516048277 VSCNUWNEENPGAH-UHFFFAOYSA-N 450.480 0.973 30 20 JCED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1-n1cnnn1 517106054 SZADZGGXGNECHJ-UHFFFAOYSA-N 480.510 0.314 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)CC2)c1 517141142 SRHHFLAWJYJMPV-UHFFFAOYSA-N 454.512 0.780 30 20 JCED N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1Cl 518128755 JNANHOGRJHFQJU-UHFFFAOYSA-N 465.875 0.375 30 20 JCED C=CCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H](C)c1cccc(-n2cnnn2)c1 520926128 ORJKSIYCSRQOSH-SUMDDJOVSA-N 458.544 0.774 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1-c1ccc(OC)nc1 522075989 QZFHFAOUBPHPRI-UHFFFAOYSA-N 466.519 0.577 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 522278492 YNXDJCWJDQSJNN-UHFFFAOYSA-N 488.585 0.761 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(OC)c(OC)c3)c2=O)cn1 523859845 JFANJVLAUBZPHY-UHFFFAOYSA-N 483.550 0.398 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O 608910977 AGQBOXIIQHBVPC-UHFFFAOYSA-N 468.457 0.569 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 729672708 DAVDKODAVGJXEY-UHFFFAOYSA-N 473.576 0.015 30 20 JCED CCOCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 730726057 XUOMWPKBIZXQKD-GFDWPABASA-N 492.583 0.989 30 20 JCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c1 731126294 GMDACYRHKTVUHH-UHFFFAOYSA-N 482.518 0.665 30 20 JCED Cn1c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1[N+](=O)[O-] 761051864 DITIQWRSODGOEB-UHFFFAOYSA-N 461.456 0.495 30 20 JCED CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 913243664 ZOFSNHRXPDPXQC-AWEZNQCLSA-N 452.489 0.069 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 917687956 HDFMPPZYITZWAE-ACNSNUFOSA-N 495.583 0.603 30 20 JCED CCN1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918260768 RALFDCAMPGTLAC-CLCOLTQESA-N 464.592 0.192 30 20 JCED COCCN1C[C@H](C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 919073967 IRTNUALJJJWCPX-OAHLLOKOSA-N 471.470 0.493 30 20 JCED N#Cc1cnn(-c2ccc(C(=O)OCC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)cc2)c1N 919548909 DICJCFDGOUWROC-OALUTQOASA-N 487.538 0.678 30 20 JCED COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)OC 1301003877 OUUREYRXVQLHQT-OAQYLSRUSA-N 483.573 0.459 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)NC2CC2)C1 1303940067 RRRBLDFEFDXRJX-UWJYYQICSA-N 479.607 0.800 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N2CCCC2)CCOCC1 1360681062 MUERVAPLDREQFC-APWZRJJASA-N 469.587 0.975 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C1 1360785561 XXIQEQQXULQSBE-YJBOKZPZSA-N 474.609 0.176 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 1443493382 WQNPPJWGONGULO-AWEZNQCLSA-N 450.542 0.937 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1541881119 YHCMVMNOLOKLHM-WOIUINJBSA-N 495.650 0.709 30 20 JCED CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1554507146 JGEXELMHWSBBIC-QGZVFWFLSA-N 472.575 0.367 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CN2CCCC2=O)n1CCNC(=O)C(C)(C)C 1612885314 PUAJQVDTINVSAZ-KRWDZBQOSA-N 494.604 0.940 30 20 JCED CC(C)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1691431380 SRUGXFIJWUCUKJ-UHFFFAOYSA-N 489.602 0.925 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)COC(=O)N2 1705755790 YMQWXRTWMMXRIN-CYBMUJFWSA-N 460.944 0.442 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC(=O)N1C 1708234303 LLHKFTJGWCTNJS-MRXNPFEDSA-N 473.559 0.431 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1708242737 LPEKTYFPDZPTOX-JEWRLFTDSA-N 457.576 0.830 30 20 JCED CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1747445711 MUKGVVRHGTYCLX-LJQANCHMSA-N 486.602 0.362 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1750218694 WGNLMUQCAVAHEK-UHFFFAOYSA-N 482.570 1.000 30 20 JCED CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1778116841 LDLPSWSMQKWETC-KMBNRDRUSA-N 452.552 0.802 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1779138583 BOOWWDBNJYXCAA-HPARJBSBSA-N 450.455 0.245 30 20 JCED COC(=O)CSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779419733 ISVOHROOAWEIRL-IDQSEQABSA-N 471.576 0.936 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cnc2C1 1779949893 KBYAKBBSRVRJBX-QHCPKHFHSA-N 487.513 0.165 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780934624 BJLYGQCFGZULIH-HXUWFJFHSA-N 450.586 0.641 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781165795 XUHOPAHVHKQLGT-HTAPYJJXSA-N 475.550 0.200 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1781168258 MYADDJYNKJHPBS-JPYJTQIMSA-N 474.562 0.805 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781200871 XYNVAIWVMFPNCE-VGOFRKELSA-N 455.552 0.949 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)Cn5cc([N+](=O)[O-])cn5)CCO4)C3)c2c1 1782192690 RJDZEVNBSQJDGZ-OAQYLSRUSA-N 464.442 0.683 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=O)COc3ccc4scnc4c3)C2)C1 1782796825 LCYHPCWHYHALKV-QFIPXVFZSA-N 456.524 0.645 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1 1783127088 PFSFPMBWOJUDNX-PRCFCKQXSA-N 454.531 0.803 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565705 QHAPXTSZCLMDQG-OSPHWJPCSA-N 491.541 0.178 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(=O)C=C)CCO2)C1 1783769167 XXMGFJIOZPPZKJ-MFEFFIJZSA-N 464.563 0.976 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2)c1ccc(O)cc1 1784012986 QKUVIXCKLRUHEL-BKMJKUGQSA-N 468.598 0.967 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C(C)=O)CC1)CCO2)c1ccc(O)cc1 1784019032 UPTBYLICGJIQBP-YIXXDRMTSA-N 496.608 0.883 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090303 PWIZJLFYTNEWIJ-KSFYIVLOSA-N 450.536 0.470 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)c1cccnc1 1784263159 KPGIAIXGQXMAEJ-RYLXDESZSA-N 486.525 0.715 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784915551 XJRHCAOEKBJOED-ZCLJJCKZSA-N 483.415 0.850 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)C[C@H]3C=C)C2)C1 1785596078 KFBNIAOYLIAFQH-JSMQRPJFSA-N 476.574 0.976 30 20 JCED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1787408016 AQXUSCXKGHTKAN-KNTRFNDTSA-N 457.531 0.536 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1788565212 AIJCNCKAYAOKDC-QQDKQVRDSA-N 459.522 0.927 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1788604083 OOLYGPOFORJQMC-GQRANXAOSA-N 459.591 0.839 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 1788658974 RRMBDURATCMKGX-SPJQJTBRSA-N 456.503 0.852 30 20 JCED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1790831272 SOMVBJOBYIRXAA-VNBWJKKMSA-N 478.615 0.358 30 20 JCED COc1ccc(OC)c(C(=O)CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1791248758 OMASWSNZWNIGFA-XERREHJYSA-N 472.494 0.734 30 20 JCED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)C(=O)c1ccccc1 1793231105 KTUVOSROECKUTQ-SHWXKEPLSA-N 455.559 0.820 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccccc2)C1 1795277814 NCQIZCWZRKECCD-AIDNLNPPSA-N 483.565 0.856 30 20 JCED CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)CC1 1795447355 RBKSMMGVIXWNLJ-OPMZPASUSA-N 465.558 0.275 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796961696 YIBAOTSBJJFUNU-NGIPEHDUSA-N 497.556 0.797 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCC)C2 1797668953 HIOLEUBYERJADF-SFNKJDCFSA-N 498.577 0.418 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2)C(F)(F)F 1800549114 IVHBOMIKAYMTIF-MCYUEQNJSA-N 456.421 0.701 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)n2cncn2)N(C(=O)OC(C)(C)C)C1 1801361207 UHVUTVTWBIBYQK-OYSTVDSJSA-N 474.562 0.994 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C2 1802124755 IVICBEQUSXHDMM-APAFKAMOSA-N 464.563 0.407 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2 1802140915 WOIANAKKZJBLGI-XYKMGWITSA-N 450.536 0.311 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807025793 MFBPGZDNGMWKEH-UWWQBHOKSA-N 455.452 0.613 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1809748777 GHCHLZQGVRJUQJ-MRXNPFEDSA-N 450.536 0.548 30 20 JCED O=C(C#Cc1ccccc1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1816954865 CXOCCPVHUWAGFD-KRWDZBQOSA-N 457.454 0.893 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCN(C(C)=O)CC1)CC2 1822928121 RDLQDSBLDJVRIT-INIZCTEOSA-N 477.587 0.729 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cncn3)C2)C1 1828580439 QKXUEZOSRCSQLW-NLFFAJNJSA-N 494.552 0.769 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)cnc3OC)CCO2)C1 1829582807 HFEOHBNJEAIZBN-VFNWGFHPSA-N 451.907 0.852 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1829770034 CIAVOMLERBILFE-HTEBCRKTSA-N 455.511 0.305 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829896805 YSSDAAFMAVETFH-WEHRJKGCSA-N 452.511 0.416 30 20 JCED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cn3c(nc2=O)SCC3)CC1 1830150087 DPRLUTISUSNNRS-KRWDZBQOSA-N 458.540 0.599 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830959799 FUOPFEVSFOKRDP-DVECYGJZSA-N 489.573 0.945 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CS(=O)(=O)CC)CCO3)C2)c(O)n1 1831333372 HZPSVHUDQCLAPB-QFIPXVFZSA-N 481.571 0.411 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1831387856 RVRFDELEJCDAMH-HOYKHHGWSA-N 471.510 0.479 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1831407435 ZKPMKHMMEGKQDV-QLVMHMETSA-N 468.576 0.228 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3COc4ccccc4O3)CCO2)C1 1832492477 MCEAQJNHGMXXCE-RDPSFJRHSA-N 472.542 0.565 30 20 JCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)CS(=O)(=O)N4CCCC4)CC3)CC2)C1 1833048655 OKAIHXXTXAVZEG-UHFFFAOYSA-N 452.621 0.950 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)nn(-c4ccccc4)c3O)CCO2)C1 1833411796 RIYMSPUFDAUKRQ-KBMIEXCESA-N 482.537 0.995 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c(O)n1 1833696310 BFXAQVQEXMTKNX-VWLOTQADSA-N 498.536 0.291 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c(O)n1 1833696829 PGSWVEUANBPULR-DEOSSOPVSA-N 468.510 0.923 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)C1=O 1835100334 MWSHDSAGCDZZGO-SANMLTNESA-N 473.485 0.943 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1835247365 OIVFMFSWHQOPTR-DQMJNTIXSA-N 497.589 0.575 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(C)(C)O)CCO2)C1 1835271491 JMQCUJNVLSYGRO-HXOBKFHXSA-N 467.563 0.520 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOCCOCc3ccccc3)C2)C1 1835364589 ZUQNDUJRMNOULC-VWLOTQADSA-N 489.569 0.997 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CN5CCCC5=O)CCO4)C3)c2c1 1835412192 WODJFCPXYDTPRH-QHCPKHFHSA-N 466.498 0.127 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)(C)C 1835675348 ORAJSOFHBLUOAX-WZONZLPQSA-N 465.595 0.275 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1835677617 RVSIGVGRZQGZRO-QHCPKHFHSA-N 472.521 0.825 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835681009 RKCYTRHUYMOMNW-XMMPIXPASA-N 479.541 0.786 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCO2)c1ccc(O)cc1 1836150325 MLSHFUGBYSYWFC-XXBNENTESA-N 468.514 0.032 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](C)S)C4)C3)ccc12 1836256160 CIFFSNRFCJWICN-QRQCRPRQSA-N 476.555 0.899 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c(C(F)(F)F)n1 1836320809 PRDWMXFHXOCCIJ-QKKBWIMNSA-N 495.458 0.568 30 20 JCED N#CCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)cc1 1837117008 VALLEVGROLVLDT-FQEVSTJZSA-N 467.526 0.963 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1837305794 JUVOEDWFOYMBQP-KSFYIVLOSA-N 456.503 0.256 30 20 JCED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488913 VACUXEQNLNUGCI-RDPSFJRHSA-N 458.559 0.674 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1837524282 DVADEVJZOKFELZ-IHSVQVTCSA-N 467.910 0.729 30 20 JCED CCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527849 YBADOGCLCPZMHW-YIPJSWNASA-N 450.492 0.836 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1839130588 IWQUQIZBGFKBKI-NLFFAJNJSA-N 492.617 0.701 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccnc4OC)C3)C2)c(C#N)c1 1839131387 FFDRZOFHQQDMDE-DEOSSOPVSA-N 481.509 0.678 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(=O)oc4)C3)C2)c(C#N)c1 1839131845 CKMMNOYCKPRRAN-DEOSSOPVSA-N 467.478 0.833 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839175808 GYHXQIGWBBBKPI-DEOSSOPVSA-N 471.510 0.903 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839204116 HXXCJOYBMXCQQJ-WZONZLPQSA-N 491.545 0.232 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1839225299 DZTUGIHIJYALQX-VGSWGCGISA-N 473.534 0.612 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)cc1 1839361276 AIJCMEVCVQSROL-RUZDIDTESA-N 479.537 0.971 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1839761453 KGCMMLRZKPUPMJ-VSIOZEBNSA-N 450.536 0.258 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1839839050 VRZCTELOGQBPQX-HDKOVMQUSA-N 473.570 0.834 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1839882089 UDUKNIMAOPIIFO-OEDAOFSRSA-N 494.589 0.437 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1839889430 UMZKTZUXYXQQOE-APWZRJJASA-N 462.446 0.149 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CCO2 1840111758 IYFJEWKHBLUPJF-HOYKHHGWSA-N 495.573 0.703 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840365273 FGIMDQDUUMBGDB-IQGLISFBSA-N 479.537 0.922 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840597512 QGLLVVFPYBSJFL-HOYKHHGWSA-N 479.574 0.665 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840771792 QHNCBCJDGTULNF-OAQYLSRUSA-N 467.519 0.849 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1840906955 MVKFAROIUOUJNT-YADARESESA-N 489.573 0.715 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1841054246 COQKCQLDDXMANE-SREVYHEPSA-N 479.541 0.241 30 20 JCED Cc1csc([C@@H](C#N)C(=O)COC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 17183189 LWQQCHFQKJZTOY-HNNXBMFYSA-N 464.525 0.851 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 23160060 ZHOCFMWNKFMKMX-DEOSSOPVSA-N 493.545 0.785 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2)cc1 108099965 JZYIHFQBVHGPNJ-UHFFFAOYSA-N 468.583 0.917 30 20 JCED COc1cc(C#N)ccc1OCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 478697646 DWUBAOVXYSYUQF-UHFFFAOYSA-N 459.528 0.609 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(OC)c1 480043844 PHEPVRJBJUSCAN-UHFFFAOYSA-N 450.520 0.958 30 20 JCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 480154241 IOTZVVKOGUWNSH-UHFFFAOYSA-N 459.524 0.317 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(OC)c(OC)c3)c2=O)cn1 522385209 OWDXVNOWLLRUMB-UHFFFAOYSA-N 495.561 0.494 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1CCc1ccccn1 523575851 JEHZCBARONHXIQ-UHFFFAOYSA-N 494.573 0.830 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cc1C 603456139 CHUBWJYKJVZWFB-UHFFFAOYSA-N 476.580 0.987 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 603793687 WCHLHCIFHZCQTK-UHFFFAOYSA-N 468.579 0.780 30 20 JCED CC(C)Oc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)cc1 608828764 NCDTYAVJURTKHC-UHFFFAOYSA-N 479.562 0.782 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(N)=O 608911203 RIXWFCLMYCCKAL-UHFFFAOYSA-N 462.915 0.197 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cccs3)cc2F)c(=O)n1CC(N)=O 608911272 XWGJQVYALMKAES-UHFFFAOYSA-N 486.550 0.528 30 20 JCED CN(C)CCNC(=O)c1cccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 727400792 CAOVKJUERSIXPD-UHFFFAOYSA-N 457.556 0.723 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 729322176 BZQBQJGUFDNHIS-DJUDNFEDSA-N 477.587 0.619 30 20 JCED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)CC1 917227399 PIYQWHQMGFIMTI-QHCPKHFHSA-N 454.531 0.384 30 20 JCED CCN(CCC#N)C(=O)COC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 918786416 DBVSFOJCGVJNOX-UHFFFAOYSA-N 453.517 0.564 30 20 JCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 1169880796 PINOMJLWTGWYGQ-QZTJIDSGSA-N 451.618 0.957 30 20 JCED CC(=O)N1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1286857323 QGDVAGKUHZAYOD-IBGZPJMESA-N 496.620 0.915 30 20 JCED CC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1291378031 ZNUKGFHLZHPSDX-AOMKIAJQSA-N 453.551 0.938 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCS(=O)(=O)Cc2ccccc2)CCO1 1555993429 OGMBXVBDRRFWNV-RTBURBONSA-N 493.611 0.914 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 1589404929 OAEYNIVSGSRSGR-QWHCGFSZSA-N 450.359 0.745 30 20 JCED COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1697717651 LOGOLESMXNTNEY-HSZRJFAPSA-N 470.530 0.612 30 20 JCED COC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1769232717 VPQCECZGZBSEFS-RDJZCZTQSA-N 495.581 0.887 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1778920887 GNVCZIIHYWISIK-JHQQDIAJSA-N 498.552 0.980 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780936888 ZSMXMSCVTDLTFV-JOCHJYFZSA-N 474.587 0.003 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1781294706 IDYPXCMHPKERQW-HYFFOGBASA-N 477.566 0.924 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1781393768 VKKMXDKJFPHLEC-DRSNIGMVSA-N 470.567 0.893 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1781400482 QKIVUWCNPRPCJA-ZQMYSKGWSA-N 482.578 0.989 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1781695734 YFPYJEBLJBAYNJ-IQMFZBJNSA-N 483.529 0.274 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C1)C2 1782015704 ZDNPKOWFYBVONO-BUKPSGGLSA-N 486.525 0.224 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)N1CCN(C)CC1 1782199808 YRCQLWLCIGFRKU-XDHUDOTRSA-N 465.558 0.514 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCNC(=O)C2)C1 1782275170 AAMXGLZLBARCNV-UFXZXOMWSA-N 490.601 0.943 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783557466 MBTHSAURGVWGSL-SBUREZEXSA-N 487.513 0.093 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784194545 GWPZSZOPTIXNNP-JAYGYPRLSA-N 494.589 0.100 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1785571572 CZSTZFVSPVHASG-HJPURHCSSA-N 473.530 0.845 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)[C@@H](O)C1 1786693477 ZYNOMZYPILMFKQ-PJVZLEMVSA-N 476.574 0.888 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3nnc(C)o3)[C@H]2C1 1787031735 KXBDCOPQWKZOLZ-FJIDUMEYSA-N 475.546 0.817 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1789890259 IVPUZCYIAYALSQ-UFYCRDLUSA-N 450.580 0.113 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145258 FNFCEAKBLSKPQI-HYJFEMIMSA-N 478.571 0.245 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1792148703 YLLOHSZIEHZHFU-ZULIPRJHSA-N 461.540 0.494 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1792491340 NIDAPRSNWHUHSQ-DQLCWVGYSA-N 478.505 0.178 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCc3nc(O)nc(O)c3C2)c1 1794111090 DVQHNMJWOPUDRV-FLTUCWPJSA-N 452.471 0.096 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COCCOC)N(C(=O)OC(C)(C)C)C1 1795357291 HZRIBCXIMWHMIC-DMUMMCEESA-N 467.563 0.805 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)cc(C(N)=O)cc1C 1797731314 LJRMLTGEDMGRDM-DBXBBDQRSA-N 454.527 0.464 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744437 NRFWNUPKIGVTNA-SBXLSSBRSA-N 481.594 0.323 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1)C(C)(C)O 1798695853 PHLHTGNMGXCCRT-CYGHRXIMSA-N 475.546 0.754 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC=O 1799287743 PMDZEBXMJRMMPV-UYTYNIKBSA-N 452.552 0.570 30 20 JCED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799885569 OHNFTJOFVRULBS-OPMZPASUSA-N 485.541 0.707 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC[C@H]1NC(=O)OCc1ccccc1)C2 1800778585 JDARFSZWAHSCLM-UFWNDYSESA-N 483.521 0.759 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801438102 TYGWVVKREQUJHB-OYSTVDSJSA-N 489.577 0.521 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)CCC)C2 1802125625 KRQPJKADDMEMDI-JNIAIEOXSA-N 478.590 0.797 30 20 JCED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1804173158 MPSVZLYPNSZWAF-KBXCAEBGSA-N 454.516 0.446 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c1 1804191090 WZTHKJJOLSSIDA-IIBYNOLFSA-N 464.457 0.964 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1810279283 SLPHNMRRMVXDTD-ZKBUFSQMSA-N 455.519 0.157 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)[C@H]3c3cccnc3)c2c1 1812071561 PKIOXTOYULIWMZ-TZLLFPAYSA-N 459.510 0.872 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)CN3CC(=O)NC3=O)CC4)c2c1 1823889030 YDRJYVWPTSOPKB-LLVKDONJSA-N 478.494 0.669 30 20 JCED CN[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1)C(=O)O 1828921096 MUCGOTCMRBKTKZ-KBMIEXCESA-N 497.552 0.805 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 1829334784 NPQRGHPLIHLKSM-NLFFAJNJSA-N 483.521 0.953 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)cc3-n3nccn3)C2)C1 1829768569 BGSBDQFDWFNJGW-CVUHLLMESA-N 494.552 0.504 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1829769551 ZQZBHKJOZUHNGX-QJKPHDSHSA-N 474.470 0.229 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1829770192 FKMOZSWKPRCTEJ-IYZQMXKPSA-N 453.499 0.491 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829830634 KEUBLMPUPAAKAF-GGAORHGYSA-N 455.467 0.720 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1830064927 ZESDHVPWTAIDJC-VEYWIMSWSA-N 452.511 0.903 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)CCO2 1830743308 BHXMAIRCNSDWLE-STSQHVNTSA-N 467.563 0.642 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)CC2)ncn1 1830957439 IZFDTJBRTGWIBV-RUZDIDTESA-N 483.569 0.571 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2 1831136888 QKMFWCRLUSNYDV-JOCHJYFZSA-N 455.552 0.950 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=Cc4ccccc4NC(=O)C3)C2)C1 1831396508 NIUIYTMFSBKVPO-IQGLISFBSA-N 467.522 0.907 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=C4c5ccccc5C(=O)N4CC3)C2)C1 1831397424 YAMVHUZEJHCDQN-HFJWLAOPSA-N 479.533 0.752 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1831434863 HLPKXBNFKZYWIE-QMHKHESXSA-N 456.499 0.997 30 20 JCED COCCOCCOCCOCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1831732646 VTVRVCYGINUGIX-HXUWFJFHSA-N 468.547 0.390 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832498216 VVTCAAYFFBOWIY-ATIYNZHBSA-N 484.549 0.981 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833617180 CLZJKOJDFDMYSJ-VRWDYKOXSA-N 480.525 0.196 30 20 JCED CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)CCC1=O 1833689298 KSKNYAXUKXSJNZ-OLCUMFGGSA-N 476.578 0.695 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756155 MLPKFDUBHHXDIH-DVECYGJZSA-N 487.557 0.887 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835122266 CPQVYLNUDQPNNY-ITSXBRTRSA-N 465.595 0.954 30 20 JCED CN1N=C(C(=O)N2CCC(N3CCC(NC(=O)/C=N/N4CCCCC4)CC3)CC2)CCC1=O 1835732118 OSDWHWMRRWYAQS-JJIBRWJFSA-N 459.595 0.638 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1)N1CCN(C)CC1 1835780415 MZTORCSIUVBMJU-VIHXGXMLSA-N 472.634 0.906 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c1 1836122856 JAQPFPGOYPPCSI-FQEVSTJZSA-N 482.541 0.350 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1836520514 KGUOHBVZUFLFTJ-SGSXCFNPSA-N 470.569 0.378 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1837116861 RYEQNHGIIOMZLH-PBHICJAKSA-N 451.524 0.384 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1837400288 BZPMMLAOMNQYRC-NXMSCROESA-N 499.605 0.292 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837400308 CLTZFLBWCQKVSS-IERDGZPVSA-N 461.544 0.729 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837444155 QIGCMQAFNJVURC-CJFCWMOSSA-N 459.551 0.205 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1)c1ccccc1 1837612645 HSINQNMWIONTDK-ZEQKJWHPSA-N 469.582 0.972 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccn(C(F)F)c2=O)CCO3)c1 1837770721 LPTFHJUVGPKZOK-NRFANRHFSA-N 461.425 0.827 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838313767 LNSMFTPXVCQGRW-QVKFZJNVSA-N 465.507 0.609 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(C#N)cc(OC)c5)CCO4)C3)(C1)C2 1838584203 UCAXZRFXGHPJIH-DDJHWDJXSA-N 483.521 0.980 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)N1CSCSC1 1838738179 VFLCTDUDGSTISZ-YWZLYKJASA-N 465.601 0.999 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)cc1 1838951933 PWHLUXRWXKDCGI-DEOSSOPVSA-N 495.561 0.533 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cccn4)cc3)CCO2)C1 1839336738 SUYFIEOKPWKFAS-DVECYGJZSA-N 452.511 0.981 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C1)C2 1839739025 NXCXSWIOOMVCTH-BXKMTCNYSA-N 485.541 0.382 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1)c1ccc(O)cc1 1839865691 PPVDISGUDDMZHZ-NTKDMRAZSA-N 457.527 0.611 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1840295178 ACNZLWCENJJKNI-HSZRJFAPSA-N 454.564 0.706 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1840796172 YEFRUQZIXBMONN-GGUMNFRJSA-N 496.605 0.814 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812560 XHDPTAHBELQHBU-UZUQRXQVSA-N 480.562 0.412 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1840906966 NBVYVKXCWUTQIX-OSPHWJPCSA-N 488.541 0.774 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccon3)C2)C1 1840907581 YOOABCHEHRZQKO-OPAMFIHVSA-N 462.503 0.661 30 20 JCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)c(C(F)(F)F)n1 1841891362 NLRVKYNGBVQNJJ-UHFFFAOYSA-N 450.377 0.341 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842089238 WDBYZUJYGQEOHD-KRWDZBQOSA-N 456.499 0.809 30 20 JCED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1)NC(=O)OC(C)(C)C 1843236086 VOUHLZBBUKMERU-AWEZNQCLSA-N 486.533 0.489 30 20 JCED CCn1nnc2c1[C@H](C(=O)N1CC3(CCCN3C(=O)C#CC(=O)O)C1)CN(C(=O)OC(C)(C)C)C2 1846194902 CQMGLTBNGJYDRR-OAHLLOKOSA-N 486.529 0.424 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480224880 VGBXQYCCIBSYQR-UHFFFAOYSA-N 485.562 0.469 30 20 JCED N#CCCn1cc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 498525620 KXYRIJIZDNTOAL-UHFFFAOYSA-N 465.470 0.935 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)n(C2CC2)c1=O 502047704 WOUAGYOHVUSXRQ-UHFFFAOYSA-N 494.489 0.799 30 20 JCED Cc1ccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1S(=O)(=O)NCC#N 520859494 SOMSACDFPFESEG-HXUWFJFHSA-N 455.540 0.781 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3c(C)nn(C)c3C)c2=O)cc1F 726584930 ZPJONMNSJNCGCY-UHFFFAOYSA-N 497.552 0.759 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1 728534501 NNNZREMGOBXNLT-UHFFFAOYSA-N 474.583 0.184 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 728535604 ALHHCLXBMJVCQF-UHFFFAOYSA-N 476.477 0.147 30 20 JCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 729687534 PWAUCXYJYHRFSE-UKRRQHHQSA-N 457.530 0.069 30 20 JCED COc1cccc(NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 749016777 CYRFYBPCWWQOPW-UHFFFAOYSA-N 474.495 0.485 30 20 JCED C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 811679856 GTMXPYAAJZPVOC-ZUOKHONESA-N 450.517 0.407 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CCOC 838248166 LMYAZOYFXXRFKA-UHFFFAOYSA-N 465.915 0.204 30 20 JCED CN(C)C(=O)CN1CCN(C(=O)COC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 914957547 YYMQWQCNTMXNTA-UHFFFAOYSA-N 498.540 0.798 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)c1 918254784 MWEFPZLZMZACEY-PLRJNAJWSA-N 475.571 0.955 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 918269197 MZXLHXLVMVLLGZ-IMRQLAEWSA-N 469.527 0.933 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)c1 918314437 YIXOIBJYMGTVNU-RELWKKBWSA-N 499.615 0.322 30 20 JCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c1=O 918729561 MQCLVNVXUMNJJH-UHFFFAOYSA-N 462.959 0.688 30 20 JCED Cc1cccc(N(CCC#N)C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1C 918974238 RVVGJAQRRUIOLG-UHFFFAOYSA-N 452.471 0.541 30 20 JCED COc1cc(C#N)ccc1OCCCC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 919171016 QDHAVRYTVSEKKQ-GOSISDBHSA-N 479.555 0.600 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286629126 KIAHCAUAVAGSJX-KGLIPLIRSA-N 468.001 0.377 30 20 JCED CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1302949318 XJWUAZCZLUMTNM-NRFANRHFSA-N 459.576 0.619 30 20 JCED Cc1ccc(S(=O)(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)s1 1492440219 PTQMJGLCTUGYON-OAHLLOKOSA-N 479.588 0.591 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)c1C#N 1556216992 LOXSMZNGFSAUDB-UHFFFAOYSA-N 458.544 0.584 30 20 JCED Cc1ccccc1OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1612315673 IYJKWUNZZSUNTA-IEBWSBKVSA-N 476.559 0.727 30 20 JCED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1612653469 KRAPGIJXUFYUAK-RDJZCZTQSA-N 457.560 0.765 30 20 JCED CC(C)N(CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1723536296 KQGBGLXMXKATFD-OALUTQOASA-N 483.639 0.849 30 20 JCED CC[C@H](C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1727079537 KHFKNVBPFFBEJL-BBWFWOEESA-N 455.585 0.070 30 20 JCED COCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730633930 OPRVEJKGSVYRPM-JTSKRJEESA-N 454.535 0.610 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1731013859 BVTWKUAZVTUDIQ-UWJYYQICSA-N 460.560 0.734 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCN(C)C)CC1 1741134111 XLSCZFGPLCKOFN-AZUAARDMSA-N 496.682 0.480 30 20 JCED CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741702901 MPWYAMXCNUFHLX-UHFFFAOYSA-N 451.535 0.518 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1750193267 OWJOTIRLXXBKHC-HOCLYGCPSA-N 465.557 0.512 30 20 JCED CS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1770337926 TWCRJEWUFJMNKQ-MRXNPFEDSA-N 461.523 0.611 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)C2)C1 1778315693 DPFUUBOJWSRZQA-IBLIISRWSA-N 476.574 0.932 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)N(C(=O)OC(C)(C)C)C1 1778854106 UHAWLCFQAYVRCH-HJPURHCSSA-N 489.577 0.715 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1=O 1779019219 NPKLYNYXYHGZCS-UUVZMSSXSA-N 453.499 0.737 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779210064 YCQKUXGHPYZEJH-BMOUEYTDSA-N 459.499 0.791 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779423084 CLGJHOAULZEZJL-XSBRWMHASA-N 497.545 0.524 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC=O)C1 1780730265 VDNXXVGOOUSQDT-PMECCGAFSA-N 464.563 0.551 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)C2 1780738475 JSRLDZGBDGMQFW-NJNPRVFISA-N 453.536 0.161 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)Cc5ccc(F)c(C#N)c5)CCO4)C3)CC2)CC1 1781108127 ORSAGSMRBTUUCC-DEOSSOPVSA-N 469.561 0.850 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1781291762 PVXLPQPBLXHVFF-WAIKUNEKSA-N 493.561 0.228 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](COC)NC(C)=O)CCO2)C1 1781295450 RCVGWEPHQFWLMH-AXHZCLLHSA-N 496.605 0.827 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783612392 WHGHYIXGKHAAFK-PRHHBONVSA-N 465.547 0.225 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)cc1C#N 1784118907 LDBCWLBXHXLTGI-DEOSSOPVSA-N 466.494 0.714 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cscn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784309870 ZURXOVGDIWMAHK-ZHRRBRCNSA-N 492.554 0.497 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1784492482 SFDRCONNSGSPFC-IQWQSGHPSA-N 452.577 0.751 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1785380067 NFDJGUFLSOXMTM-IBGZPJMESA-N 455.389 0.872 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1785574707 PDBDYOZRWIHMOC-DFIYOIEZSA-N 485.585 0.698 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1785593821 GKRFYXTZWVLWEC-UJUVCNOISA-N 450.536 0.374 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1785623260 DHVRDDWBQMCUDK-YCRPNKLZSA-N 466.539 0.072 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786721084 LJUMUGRWJQAYFZ-HAGHYFMRSA-N 480.606 0.768 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1788637377 ICALRJBUXSRVRE-ACRUOGEOSA-N 465.554 0.950 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1789838827 YXGOBHUGZDRFNU-DEPCRRQNSA-N 478.590 0.797 30 20 JCED CCn1c(-n2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3CC3)cc2C)cccc1=O 1793256851 UTXRGRCVQSBYGW-NHKMSHSESA-N 463.538 0.979 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C3)c(O)n1 1794490902 VUWZQRSQARNHQT-QKSJRXBFSA-N 490.557 0.952 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cnnn2)ccc1Br 1795859766 UXHBWOITIAKPLT-XOIINTDNSA-N 460.292 0.211 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1796334900 UZLMIHPUXDCSSV-OYSTVDSJSA-N 467.563 0.803 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=N/O[C@H]2CCCCO2)C3)CC1 1797705527 QXWNVEOTVIJBDW-VBIMJVFSSA-N 470.592 0.825 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cn1 1797811794 WLSSNDXULBWEHZ-PUZBOVKYSA-N 494.570 0.358 30 20 JCED O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)NCc1ccco1 1797892684 KUORFLFIFBHDMX-KKKPSNMISA-N 469.538 0.740 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)C3)ccc1F 1799322689 CDVYJCCUGRFFCT-PPSDVSMJSA-N 495.511 0.836 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1799395301 MZQWWQQBPUTMQD-RPVYPSMYSA-N 482.578 0.605 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C 1800351531 IMAAPAGBQDZWFB-AXVVYFOYSA-N 466.579 0.914 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 1800706783 ROXWZGNVOKRBGT-ZSXDVEMLSA-N 461.559 0.871 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773695 JIGNEJSAHPAMCK-RCJHGTSTSA-N 461.515 0.454 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2 1800981579 OBANJSSQFWREHT-CUSZFKRNSA-N 475.608 0.452 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(I)cc1F 1801884425 FHXSNZLPTFBMFL-YQYWCBKUSA-N 486.237 0.722 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1802145955 CSDFZHIHAZXIMG-RDGPPVDQSA-N 472.542 0.943 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1804089522 KMGXTHULNXNOMC-ZEQUCSKPSA-N 452.471 0.351 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)CC2)C1 1804855945 GJZLOOKFMVJFQA-XFHJGTJQSA-N 468.558 0.685 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1810087525 MNCUDCIXKYGDGG-LYCNYXFRSA-N 459.503 0.010 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@@H]1c1cccnc1 1810339352 PGOXUSFBGRWPCH-DNPLEZELSA-N 486.525 0.441 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1810355828 GDWBGRBNMHFKEW-NPARIDPTSA-N 483.462 0.341 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1811794749 BVGJFCFGBNSMBM-PXNSSMCTSA-N 469.465 0.713 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1813161168 BSUVJRNKCUHVKC-LWYYNNOASA-N 472.590 0.939 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)NC(=O)c2cnccn2)[nH]n1 1814438002 GAUMPCZCQWURNX-QOLZPOHTSA-N 480.529 0.869 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)cc1 1814487577 BWFBHPBLGNTABD-ZDUSSCGKSA-N 461.521 0.789 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1819840699 FPALDVQCWWCLGC-JSGCOSHPSA-N 459.528 0.352 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3c(O)nnc3O)cc2)n[nH]1 1820225358 VZJFWXSHSFDZAH-HNNXBMFYSA-N 465.426 0.796 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822202355 QPDCLCLHMSUXBD-HIFRSBDPSA-N 463.491 0.766 30 20 JCED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CC2 1826028442 XTWTYWVRMBLDCD-XRRVDJEJSA-N 483.641 0.554 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1828287177 YRHJNIALNGOSIJ-CLWVCHIJSA-N 477.587 0.695 30 20 JCED CNC(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3(C#N)CC3)C2)C1 1828576948 WJYOSIGWOMARON-DEOSSOPVSA-N 467.526 0.878 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)CC1 1828921572 ZAVMXOVHXVXEKG-UQBPGWFLSA-N 479.537 0.878 30 20 JCED N#CCCC(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990766 ULWFVZAXVVTFLT-NTKDMRAZSA-N 484.557 0.335 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)o1 1829632647 XMVSIGWFUWBXCB-QHCPKHFHSA-N 453.499 0.881 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4ccccn34)C2)C1 1829766415 XQPAYAVSCGHLCB-IBLIISRWSA-N 467.526 0.571 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1829770323 JCHUMANYMRXVCX-UZQCKINESA-N 453.499 0.491 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)c(O)c3)CCO2)C1 1830248550 RIKRBJRYTCZLGY-GBXCKJPGSA-N 462.543 0.973 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C1CC1 1830850697 BZHXHHYTJGNLTL-UZUQRXQVSA-N 479.530 0.224 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc(-c4ccccc4)o3)C2)C1 1831396064 HNCJQIVABUEMJU-SBUREZEXSA-N 454.483 0.845 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)CC2)CC1 1833075152 RXPYLJZEOFCVCA-GYMRMKKLSA-N 457.619 0.757 30 20 JCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1835111388 DYPVQRZBIVDRAR-MAUKXSAKSA-N 491.662 0.642 30 20 JCED CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1835255018 PVGACKRILWDQMK-SFHVURJKSA-N 490.460 0.087 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835828768 JDANSDSCEMBTND-CVDCTZTESA-N 458.563 0.210 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835844045 CIFCNPBHPDPUBV-HXUWFJFHSA-N 466.579 0.219 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cccc1C=O)CCO2 1835958229 LYSJUJXLUZRAOX-FDDCHVKYSA-N 461.515 0.827 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836322080 ZAKKLVXEJFXBKZ-SPLOXXLWSA-N 497.474 0.909 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1836857699 WFAPOANIMHEDQP-MRXNPFEDSA-N 457.531 0.277 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1837527085 JPDVMHDCBRRROS-XTXAWSSWSA-N 475.546 0.888 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1837528275 DDDWNPZXWGXXQO-XCUVTCGESA-N 471.514 0.933 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(=O)Nc2cccnc2)CCO3)cc1 1837626629 IKSMKDDOEJJISR-DEOSSOPVSA-N 463.494 0.591 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1ccccc1=O 1837690170 MKQWAJMZWIHAEB-DFBJGRDBSA-N 480.521 0.816 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1838382513 JEGVXTVINVHVCW-SFHVURJKSA-N 489.573 0.778 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1 1838742245 AHSOCDOPYXFRPZ-DEOSSOPVSA-N 465.510 0.695 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1839175115 PVSXWHJAGHATCM-HXUWFJFHSA-N 452.895 0.709 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839223280 RGAWHUWKXZDNQG-VGOFRKELSA-N 463.535 0.392 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1839225304 FFJZERMOHFLMFX-HTAPYJJXSA-N 458.519 0.909 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)cc1 1839362294 JWRWCCLFHYVECS-DEOSSOPVSA-N 478.509 0.076 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424296 ZNZZLUQJIMBUGQ-UTKZUKDTSA-N 480.905 0.346 30 20 JCED O=C1Cc2cccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)c2N1 1839573368 BRTQLENRTKNBRR-YGYQLRJYSA-N 466.494 0.963 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3I)C2)C1 1839806698 WVABQLLVNXQUDL-LJQANCHMSA-N 468.291 0.923 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1840082361 QBKIACKEYQOQLM-DHLKQENFSA-N 498.617 0.907 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CCO2 1840112164 DSZICRPSXXEOHP-HXOBKFHXSA-N 481.546 0.313 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840290824 JOWGMWDXMJOENO-ZSDSOXJFSA-N 471.576 0.687 30 20 JCED C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840453339 HUSZWHPJODBFNF-CBWPXHNPSA-N 459.547 0.777 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1840795499 LMANXBDBKVZKLP-QMHKHESXSA-N 493.561 0.178 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840840432 SAUTTWWIHMGUBI-QHCPKHFHSA-N 479.574 0.618 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1840906548 FGIYMSVLEPLBAF-SBUREZEXSA-N 475.546 0.407 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1841583541 ARHREIRVUSJEBD-HZPDHXFCSA-N 470.592 0.434 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC4(CCCN4C(=O)C4(C#N)CC4)C3)c2n1 1842809725 QVUIKYFZRKMMRV-UHFFFAOYSA-N 466.502 0.634 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CN)C1 1842868780 HGTATNRXWWBUIF-HZPDHXFCSA-N 467.567 0.590 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235119 AZQVQNOTMODTRL-HNNXBMFYSA-N 498.544 0.326 30 20 JCED C#CC(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)c2ccccc2)C1 1845259119 JTTIMBFOHRJTQR-QFIPXVFZSA-N 472.545 0.981 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)=NO2)C1 1846196976 HRQLFTZGTSMQSJ-QFIPXVFZSA-N 460.487 0.434 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1846331084 JBNYQUIFBZZYCB-HNNXBMFYSA-N 456.565 0.822 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/N1CCCCC1 1847436493 WWUFYGFPJNLKLC-DALUWHNMSA-N 455.559 0.839 30 20 JCED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl 18470658 VUVZXDMZWIGJHF-UHFFFAOYSA-N 455.920 0.537 30 20 JCED CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccccc2S(=O)(=O)N2CCOCC2)c1=O 500555150 OCZLWTWITHZYSQ-UHFFFAOYSA-N 475.592 0.679 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC2)C[C@H](C)O1 517179431 MUHBZIQHCXVQPG-ROUUACIJSA-N 493.586 0.806 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 556556963 FNEOPBOZNSAHFU-SJORKVTESA-N 455.558 0.687 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCNS(C)(=O)=O 589161285 SZRKIIXZQXVIJC-CQSZACIVSA-N 463.581 0.586 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 729671553 LHOAEBYXGXPWKC-OAHLLOKOSA-N 471.579 0.924 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(F)c2F)c1=O 730801944 VEIJTNDTTGEXNN-UHFFFAOYSA-N 467.519 0.358 30 20 JCED CC(=O)NC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 731258494 QYZIWRULZDHLBQ-UHFFFAOYSA-N 462.528 0.383 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c1 745339959 VEJBYKHQLLWPCV-JOCHJYFZSA-N 459.506 0.980 30 20 JCED O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NCc1ccc(C(=O)NO)cc1 746268223 HIBWDAGJZKTZNX-UHFFFAOYSA-N 474.539 0.735 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 838249609 AKUQPFHHRHKORK-ZDUSSCGKSA-N 493.969 0.635 30 20 JCED CCC[C@H](C)N1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 917981867 NENZGVAGTPDLKM-HKUYNNGSSA-N 490.582 0.971 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CC(=O)N(C)C 918729223 DPDPGXSVHVMYDN-UHFFFAOYSA-N 454.552 0.592 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1293245223 YPKHTTIJCQRUEA-SJLPKXTDSA-N 458.544 0.878 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c(OC)c1 1300077471 SDRRPBJYCYWLEY-DOTOQJQBSA-N 476.559 0.973 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CC(=O)NCC(F)F 1305123731 YKLRHAYGVAKNPY-UONOGXRCSA-N 461.477 0.540 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCS(C)(=O)=O 1305786688 YNRGVRRSHPVEHM-KRWDZBQOSA-N 451.597 0.808 30 20 JCED N#Cc1ccc(OCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1Br 1472498971 USXWVJCLDQKQMH-HOTGVXAUSA-N 458.334 0.002 30 20 JCED CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1505146907 OXYZKHUWJVILFT-SFHVURJKSA-N 473.559 0.513 30 20 JCED N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 1542684292 ZCPCEVUIRFBLHA-QGZVFWFLSA-N 453.524 0.907 30 20 JCED CO[C@@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CCOC1 1554711340 PHQQZCLUOSFFJZ-JOCHJYFZSA-N 454.535 0.815 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCCCC2)C1 1620171056 RMGCHJVLWDIQFB-PXNSSMCTSA-N 469.587 0.929 30 20 JCED C[C@@H](CC(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1)/N=C1/NS(=O)(=O)c2ccccc21 1652293059 NJTJIZRIWKSHMJ-LBPRGKRZSA-N 455.496 0.693 30 20 JCED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1696624862 WUKSPCGNTLPTNX-UHFFFAOYSA-N 487.586 0.727 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705755401 SXFCNCCCCWZYQQ-OAHLLOKOSA-N 490.030 0.994 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCNS(C)(=O)=O)CCOC1 1710484999 SSPHALCQPKHPNF-KNQAVFIVSA-N 490.586 0.929 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722550632 LVWQMCVBOXPSIJ-AWEZNQCLSA-N 468.971 0.535 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)C1 1771361068 JLCFECIIFQYOGB-VKJFTORMSA-N 490.583 0.020 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778054975 DQQFBMGZXUWCJS-NPMXOYFQSA-N 481.513 0.815 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C/N=C/c2ccco2)C3)CC1 1778910114 HBRUKVWMEUTLLT-APRFEEGUSA-N 473.574 0.377 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1778964824 JBEXXVMABIVEEJ-OAWZGRKZSA-N 473.570 0.569 30 20 JCED C[C@H]1Oc2ccc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)cc2NC1=O 1780093047 MWTNELLQPYNZIY-CGROQTEOSA-N 455.467 0.622 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)csc2n(C)c1=O 1780922072 UXMPGXGGKOQGJU-JOCHJYFZSA-N 473.555 0.221 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1781064082 ZOXGMXHXFKOMFK-MQQADFIWSA-N 477.558 0.633 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO3)c(C#N)c1 1781174158 MYVJCANLSWFNBO-YKSBVNFPSA-N 488.541 0.782 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1781294408 FIZMXFHURQTOOS-ORQYLMBXSA-N 466.579 0.399 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781421772 UAKAIAXIHLXRHE-WZONZLPQSA-N 474.562 0.805 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(c3cc(NC4CC4)ncn3)C1)CCO2 1783564876 BWTKFWWGLSZDFG-OSPHWJPCSA-N 482.541 0.185 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2)c1ccc(O)cc1 1784013056 RSNXOLJFNVRGJQ-ZWSUVBHBSA-N 471.554 0.370 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1784195209 SBOWUCDLJYJSFM-NXOAAHMSSA-N 452.552 0.792 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1784483210 OQXPAYKOIZDUSE-FWMUPONTSA-N 493.601 0.765 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1784505582 RUWXJVALTWDIQW-DQIRUUEWSA-N 481.590 0.929 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)nn3)[C@H]2C1 1785845937 GKQOJUHPKLQNTL-ONIAQPFYSA-N 473.530 0.692 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1786857987 KOEGUBUJUDVZMK-MRHSLFKSSA-N 486.573 0.254 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)c(C(F)(F)F)n1 1786888446 OIWUPPNQQNVRND-DDWPSWQVSA-N 482.463 0.158 30 20 JCED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21)c1ccccc1 1788707252 CULCBNWZFDJCCF-JTJHWIPRSA-N 489.536 0.603 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789876335 IPRLMPUMNYTCNO-ATIWLJMLSA-N 452.552 0.570 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Br)c(C#N)c3)[C@H]2C1 1790197467 MGOYKLOFSZQHDP-QRTARXTBSA-N 484.372 0.959 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792422924 FIGXPAPEOBVROG-RMYQPGKMSA-N 462.572 0.408 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=Cc3ccccc3NC(=O)C1)C2 1792490037 IVNNRYGGKQQOGA-BSQMBTRLSA-N 464.522 0.860 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CCN3CCCC3)nc1)C2 1793343471 YNPGMMXYHMSNEN-DXKRWKNPSA-N 454.571 0.961 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1797704349 NXZNKCIYIDLTNU-DNGCBJQESA-N 483.565 0.764 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1797710850 NJIUBLSKPOVVCY-APAFKAMOSA-N 481.590 0.785 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)C1 1797839940 HQGVFUQNAGMOMC-DLEPCTQTSA-N 490.557 0.516 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800283580 QWNBHRSXCOHIEO-FAQVEIGNSA-N 481.465 0.297 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)[C@H](F)C1 1800773710 JJROXAQAXQOUHC-PPLBCVRQSA-N 467.494 0.259 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2)c1ccc(O)cc1 1801053998 XJSLHNYWBWNDAP-CCWIQGQESA-N 471.554 0.630 30 20 JCED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCOCCOCCOCCOCCOCCOC)C2 1801601814 YMJPHDALURVQAG-KOUNCHBCSA-N 484.590 0.377 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)NCC)C2 1802125663 MUCUBMFLUCDLKU-AVEIZBFRSA-N 479.578 0.200 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCSC)C2 1802126642 MDXJJRZZJBZNKB-RZFLPCETSA-N 469.604 0.607 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1804090219 NUCXFDKPTTWCNV-VXYNXWTBSA-N 455.519 0.111 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)c(C#N)c1 1807049041 WJHYDKWVMQCZLL-NSXLHWASSA-N 478.553 0.803 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1814062744 QJNBSOKFFMPHQS-AUSIDOKSSA-N 461.526 0.878 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815069729 JKIHHGIIGMWZAX-KGLIPLIRSA-N 456.528 0.599 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNC(N)=O)CC2 1828286443 IXYALJKHOBGXAY-WCQYABFASA-N 464.548 0.640 30 20 JCED CC(C)(C)[C@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828546468 LYRGNNOPHXALLE-PXDATVDWSA-N 485.537 0.934 30 20 JCED C=CC[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829292563 IHDSUASECCGUOK-WXVUKLJWSA-N 457.575 0.937 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(F)c3)C2)C1 1829765290 SBTLBVHHDFSXES-IYZQMXKPSA-N 463.481 0.822 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)[C@H]1SC(=N)NC1=O 1829902027 GQNLZLMKZAFKRY-YWBKXGLFSA-N 485.566 0.360 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)NC3)CCO2)C1 1829960890 YOIWUDKBZUBZME-QZTZHPFYSA-N 494.589 0.438 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1830385205 HDWCIMAZUHBVFJ-ZKGYLWPRSA-N 486.591 0.018 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1831427382 REHQXJYHUSNBSG-UUOWRZLLSA-N 470.526 0.827 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831446135 AVIIOPBPNUSNDT-OAQYLSRUSA-N 465.503 0.674 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1831484272 VJMYLYFLSZZQEP-OKFYXZINSA-N 493.626 0.577 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831999202 XOPHKIVJXLSJGA-VGOFRKELSA-N 478.550 0.204 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1832000370 MZHAJBDAWHYXSB-SAHWJRBASA-N 497.593 0.359 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1832004864 QGXKTGTVFKOWAI-JXSLOMFPSA-N 475.608 0.689 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cn3cc(Cl)cn3)CC2)CC1 1833075937 HZICRALVVJDBGY-ARJAWSKDSA-N 462.982 0.967 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)CC1 1835399991 HBJHKKYPDHDJOZ-SANMLTNESA-N 483.613 0.585 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1835642496 PAMJDQAPAKGWJS-GGUMNFRJSA-N 498.621 0.258 30 20 JCED CCOC(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)OCC 1835682464 KUGIGDBKZMVVHE-QFIPXVFZSA-N 454.568 0.514 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835844901 UHGZMJPBXHLMQL-KCOUNZPASA-N 464.611 0.181 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 1835844934 WCKSTDKGUGUEIX-JOCHJYFZSA-N 455.559 0.895 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Br)cc3[nH]ncc13)CCO2 1837067487 SUGFOWUCRVZBME-HXUWFJFHSA-N 491.298 0.483 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837443958 NKOJHXHMXWQTOI-YGPNGPECSA-N 455.519 0.271 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1837445284 NWEYWCXSQJVSOI-TUIZQPODSA-N 488.585 0.990 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1837580068 UWIJWUCMCFAESX-UHFFFAOYSA-N 485.589 0.521 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838257704 OAEBBVVIQNMROQ-QFIPXVFZSA-N 462.934 0.899 30 20 JCED CN(CC(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)C(=O)C(=O)O 1838409419 RNXCYIHNLPIGJA-YDZHTSKRSA-N 462.503 0.240 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598366 CSQLPFFQYAJABG-DYESRHJHSA-N 480.905 0.346 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1838652700 LDKQCVNNVKGIOY-OAHLLOKOSA-N 454.524 0.329 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)c1 1838907920 WEZQNANGSYECEV-XMMPIXPASA-N 495.561 0.533 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(C)=O)c1ccc(F)cc1)CCO2 1839037844 ZXKRHPWIXWNPBH-JBUDQFAYSA-N 475.517 0.498 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C(F)F)C2)C1 1839173950 WXUXEDVWZOCMTI-NRFANRHFSA-N 470.473 0.937 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c(O)n1 1839668883 UEGWXLPISPAOQJ-DEOSSOPVSA-N 499.524 0.550 30 20 JCED C[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CN1C(=O)OC(C)(C)C 1840039913 DJLOIENSMVIZAY-QZTZHPFYSA-N 493.557 0.566 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044466 YJRHVEOIUJCGRD-HXOBKFHXSA-N 479.530 0.178 30 20 JCED CC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110910 LJOMOQGOVAALGU-VFNWGFHPSA-N 473.592 0.634 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)COC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251821 ZXDPDAIYIGEROB-HTAPYJJXSA-N 453.536 0.655 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840290786 IGSXASCPNSJKHW-ZHRRBRCNSA-N 451.520 0.945 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840291362 NXRUQWOIEPOGGZ-WZONZLPQSA-N 467.563 0.522 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)n1cnnn1 1840473890 ZLBYEPZDDJHSOH-JTSKRJEESA-N 453.503 0.195 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)C3)C2)CCC1 1840813051 ATTSHLCKZRRBJI-CMJOXMDJSA-N 471.514 0.143 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1840815794 HVHVQXKVUIEJTF-KOSHJBKYSA-N 492.573 0.773 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1840819569 SZOBCNCVOIMBEO-CVDCTZTESA-N 485.566 0.420 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cc1 1840904297 DFVMMLWNWXOEMM-IZEYGWMZSA-N 482.537 0.893 30 20 JCED CCOCCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccnn2C)c1=O 502008051 HTVQMBRFZMPOLG-UHFFFAOYSA-N 453.572 0.939 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2C2CCN(C)CC2)CC1 518723194 HEQLFCXQXPWUDB-UHFFFAOYSA-N 455.584 0.437 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1cccc(NC(C)=O)c1 603495293 AOLGUVFBDKISSA-UHFFFAOYSA-N 476.514 0.893 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)nc1 726963114 YUAGSXCKQLRLRP-UHFFFAOYSA-N 468.539 0.082 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccccc2OC)CC1 837285733 PPSKEFJXPANSAY-UHFFFAOYSA-N 478.578 0.308 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2cccc(C)c2C)CC1 838895169 OGGRLKOTHYYSAC-UHFFFAOYSA-N 476.606 0.917 30 20 JCED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1208068942 QWPFEKUNAYAGKV-UHFFFAOYSA-N 450.564 0.321 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286629121 KHXFHUOEZXEFHG-MSOLQXFVSA-N 488.058 0.580 30 20 JCED CCN1CCC(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1296024721 HGHOFXAJUNEDKG-OALUTQOASA-N 481.623 0.462 30 20 JCED COCCN1C[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1=O 1316117640 NVGCYGSPSNVUKZ-GOEBONIOSA-N 453.569 0.123 30 20 JCED C[C@H](CC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1465291905 OWABXTUUEFISDR-OAHLLOKOSA-N 455.540 0.951 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1507869071 RETBDAYMYCOMJZ-IRXDYDNUSA-N 475.015 0.522 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1Cl 1510224038 SCHNEJAXDGBXMW-STQMWFEESA-N 455.928 0.744 30 20 JCED CCc1nn(C)c(CC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1513767743 VIZVTOUNGZMYED-NVXWUHKLSA-N 489.650 0.971 30 20 JCED Cn1cc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(=O)NCC(F)(F)F)cn1 1554333239 JCTGWOVYURVRRO-UHFFFAOYSA-N 474.451 0.950 30 20 JCED Cc1nccnc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1707795000 RMJCGPXKBMIHPZ-LPHOPBHVSA-N 464.527 0.394 30 20 JCED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1=O 1730777091 VTUREUMTEZFWGX-FPOVZHCZSA-N 481.557 0.653 30 20 JCED N#Cc1cccc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1750382281 RABPRSWPRWPZPM-HXUWFJFHSA-N 466.514 0.753 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C 1761363329 LZESZBZZBNSEEM-WBHWENKQSA-N 460.626 0.897 30 20 JCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCN(C(C)=O)CC1 1764909555 NCITVRYCWJPUBU-UHFFFAOYSA-N 454.583 0.245 30 20 JCED COCCN(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1769780757 QWBAYAMPORFBOO-WIYYLYMNSA-N 483.639 0.709 30 20 JCED CS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1771367827 IHUNXWYYDJCEFL-IBGZPJMESA-N 490.611 0.895 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063961 VXPYGHOFEWAQAC-HOYKHHGWSA-N 479.574 0.401 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779364199 JDFXTKPHIKDAJT-IUUMXWFASA-N 453.540 0.037 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1779405066 QXOWGBZFEMWNGL-DNVFCKCGSA-N 482.530 0.505 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](O)N3CCOCC3)C2)cc1 1779410264 LRXGCUGDGMVGQP-IEZKXTBUSA-N 470.570 0.655 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780106358 YINFETWSDKFRPH-UUOWRZLLSA-N 472.542 0.745 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781040005 BWZNJTQFLJFNGP-DOWNOZBLSA-N 452.552 0.009 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1781168266 NIRZONVZRHESDE-HXOBKFHXSA-N 474.562 0.955 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)CCO2 1783051709 KXWFWDBRANURQT-XDHUDOTRSA-N 473.526 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C(=O)N(C)C)c3)C[C@@H]21 1783535160 AFFJNNMYYCDWOF-LEBGWRHOSA-N 468.554 0.840 30 20 JCED COc1nccc(I)c1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567152 RHNXIRILEFAQOG-GOSISDBHSA-N 499.261 0.226 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)COCCOCCOCc1ccccc1)CCO2 1783567670 VQYKRYJTWXBEPY-DEOSSOPVSA-N 474.510 0.154 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783991477 ZMVMXDDRUDUNAL-FPSMNIFISA-N 455.552 0.443 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)C1 1784006559 MBLUNDWZWGZEAY-FCHUYYIVSA-N 450.536 0.738 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)c1ccc(O)cc1 1784020863 BNYDRLROVKJKHC-LFAGZIFBSA-N 471.554 0.870 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C[C@@H]21 1784485487 MSOPWFWFNYLNMN-WDMKGZBDSA-N 459.518 0.962 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cccc([C@H](C)C#N)c4)C3)C2)CC1 1785079271 NKGFUQGWLFXAQP-KBMIEXCESA-N 467.570 0.921 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCN(C(C)=O)CC4)[C@H]3C2)c(O)n1 1788245583 WFHKZDCKYGMFCG-VJBMBRPKSA-N 499.612 0.663 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1)c1ccc(O)cc1 1789766110 UGLRRMWTBJLEKH-JQTDGLIBSA-N 455.555 0.592 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)cc1C#N 1792058488 UREMJTXALMGQDD-CUWPLCDZSA-N 480.521 0.864 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792272771 OPEIKYDDDBZTRE-KFGODFMUSA-N 496.605 0.308 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)[C@H]2C1 1792344026 YWMJEFJXTUGBDE-JSRQGNBESA-N 457.593 0.920 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793431982 FFNOFMUKJLIXII-XLKKCASTSA-N 486.569 0.959 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)c(Cl)c1 1793613328 SQEMFVMVUOVFSB-USGNIVHTSA-N 456.886 0.730 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H]1CCc2nc(O)nc(O)c2C1 1794113297 NGWICTXJTIFVAL-FAHLKSDESA-N 489.529 0.111 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1795598378 UINLMYIFQMULJV-UGNRZPKXSA-N 459.591 0.649 30 20 JCED O=C1CCc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)nc2N1 1796105137 JXYIASYEEDNMHZ-HHWFMCFWSA-N 471.514 0.699 30 20 JCED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1797921254 XOXDQJVKSPNDDN-VBRUWADQSA-N 492.642 0.749 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)n(C)n1 1798760543 QAUUXJLROAHPKH-YYAJDYIMSA-N 475.546 0.549 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1799321828 MXOXQTZJWUGZEA-FIRLOTFOSA-N 496.605 0.086 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1799683474 DZOYJMITENVJOQ-HXFPYSNGSA-N 484.513 0.481 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)cc(C(F)(F)F)c1 1799783681 VYWQTSDTYDXLKZ-YXPYIKCWSA-N 479.415 0.378 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1OCCC2 1799937218 YFQUQQLAUGVZKX-NBMJBFSESA-N 487.557 0.785 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)OCc2ccccc2)C1 1800441635 UQXPIKFUELBQDY-HLRQEUIKSA-N 469.538 0.883 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1800980640 BUNKPRZUBLKMPE-LDXCWZNISA-N 471.620 0.902 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O 1801330668 VHRBBABLAOOGHP-XMTFNYHQSA-N 492.573 0.864 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(O)n1)C2 1802124921 KQSKHQZXNKQWGC-RCJHGTSTSA-N 458.515 0.907 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)[C@@H]1c1cccnc1 1803548790 PEFXAYLEZFGPJC-PSOYPTMXSA-N 459.499 0.621 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804198670 QCYMSJZWZARFAB-DENIHFKCSA-N 492.598 0.327 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806083803 KLGNWWYTYXASRU-UTKZUKDTSA-N 480.525 0.851 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c(C#N)c1 1808165247 UWOKSLWHRRTFNS-UUOWRZLLSA-N 490.520 0.762 30 20 JCED CCOC(=O)N[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1819241338 FTXICWRYIKKABT-DFMHWDOOSA-N 466.495 0.995 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1819840702 FPALDVQCWWCLGC-OCCSQVGLSA-N 459.528 0.352 30 20 JCED C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1820687215 WZJDJVLVOCOFAI-CQSZACIVSA-N 454.512 0.890 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](N)CN)CC3)CC1 1822805375 XEFIRSKPHQGWAL-KGLIPLIRSA-N 491.618 0.882 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828923176 UHRUJXDONXCNTK-QFIPXVFZSA-N 476.555 0.787 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCN2C(=O)OCc1ccccc1 1828930269 CTTANENASBMHHO-RUZDIDTESA-N 496.520 0.149 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCN2C(=O)OCc1ccccc1 1828930789 OYGHHAXAYDKHOI-XMMPIXPASA-N 452.511 0.694 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828969952 YLFXAASXYWTNDO-CVDCTZTESA-N 490.630 0.876 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829051215 YAAGQPWOVWNMJR-RLSLOFABSA-N 487.601 0.298 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1829759190 ARRMCAWTBTYBFX-KSEXMQBYSA-N 472.498 0.452 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)c3ccc(OC)cc3)C2)C1 1829765208 MXKZJYRQVDVLDS-RMZPIOGSSA-N 499.564 0.973 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1829771030 BSMJQNQSBPJYLJ-IYZQMXKPSA-N 498.496 0.400 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(F)ccc3F)C2)C1 1829773130 BRNFZDHZLIPYMZ-UZQCKINESA-N 463.481 0.822 30 20 JCED CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1830531844 RLWWUSZMSGVSQJ-DMPWYTOCSA-N 489.635 0.815 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCC(=O)OC(C)(C)C)CCO2 1830798314 GPZYQKDFDBQVFW-OPSAWKISSA-N 479.574 0.813 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)[C@@H](F)C1 1831135623 HSTYPUBMNUHGNF-HYFFOGBASA-N 468.526 0.952 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)NC(=O)CC)CCO3)c(O)n1 1831179295 HUTPZECFZWGFPE-XDHUDOTRSA-N 474.558 0.891 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)C1 1831396937 MUTNJNDQDDVVHM-HOZJOUCCSA-N 471.510 0.514 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1831405525 CWNLONHHYDTVHC-BXKMTCNYSA-N 490.557 0.432 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1831999738 BEVWYZYTWZUPOH-VGOFRKELSA-N 478.550 0.204 30 20 JCED CN(C)c1cccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1832526923 GPGFBVMUXNIZIU-VWLOTQADSA-N 487.601 0.870 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccno3)CCO2)C1 1834156246 SDJKVTBDOAYTRF-KSFYIVLOSA-N 462.503 0.661 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCN(C)CC3)CC2)CC1 1834624557 HYYIOKOGGDPCFO-HXUWFJFHSA-N 464.655 0.996 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CC(=O)N(Cc5cccs5)C4)C3)C2)CC1 1835340998 MEYUVTFPWVLLBQ-UZUQRXQVSA-N 472.567 0.857 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)[C@@H]2C1 1835346523 FQRFUGONVZBDFN-AIDSWVIKSA-N 474.558 0.859 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1835675280 LZPJGMRHKYHFKE-HYBUGGRVSA-N 472.542 0.565 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c2ccccc21 1835677591 RMAAWLPAKLNXOO-RUZDIDTESA-N 498.584 0.078 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1 1835716141 YTPARYONFRTCCW-IBGZPJMESA-N 450.580 0.973 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836052127 PAMXKYWDZDKACR-KMEFSVQMSA-N 461.519 0.395 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c(C(F)(F)F)n1 1836321842 MBMTXCUCVRGMEN-GOSISDBHSA-N 486.476 0.669 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3C)OCCO4)CCO2)C1 1836460009 CWTFOMUKYHUMTD-KOSHJBKYSA-N 458.511 0.875 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836762663 XTOZVJWGBXUCGD-DEOSSOPVSA-N 464.607 0.599 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836868340 DKIMQMMPGQSXIS-JOCHJYFZSA-N 455.519 0.081 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)c21 1837445128 FOUKSLZZVBJBHB-PODSUIKTSA-N 484.557 0.821 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837491737 XAKBQQMENKFXOH-DEOSSOPVSA-N 467.526 0.498 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837527650 RTIQAZZVDGAAFN-KDGIGMFRSA-N 479.559 0.554 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)n1ccccc1=O 1837686295 FWCQUQKFZQBPBP-MQWPAIHPSA-N 476.530 0.395 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)c1 1838366724 WBRDKEUSZJUGOF-HSZRJFAPSA-N 451.483 0.757 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838579592 RYERKJPPOSZWEX-WAIKUNEKSA-N 458.515 0.552 30 20 JCED COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)CNC(N)=O)CC3)CC2)c(C#N)c1 1838634271 BKHPDXCRHWLVNT-UHFFFAOYSA-N 457.531 0.776 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048676 MVZWXKRHFVVCBN-VWLOTQADSA-N 481.553 0.427 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2)C1 1839073879 YBXJRNKMQYXFLG-GAJHUEQPSA-N 469.579 0.929 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)c(C#N)c1 1839132218 ZUGTWVNUCYJSEF-QFIPXVFZSA-N 455.471 0.308 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)c4cccn4C)C3)C2)c(C#N)c1 1839133476 ROPVNDKWZNOCIJ-VWLOTQADSA-N 480.521 0.787 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1839173754 JYIWLDPMKJGVBW-JOCHJYFZSA-N 457.487 0.537 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCn4cncn4)C3)C2)ccc1F 1839188040 IEWKHOAORAKOBM-QFIPXVFZSA-N 456.478 0.378 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)ccc1F 1839651567 AUBGZYPIMNUGIP-XMMPIXPASA-N 483.500 0.825 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1839784094 JAPFWPULWBJOJC-GHTZIAJQSA-N 465.503 0.345 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)OC)C2)C1 1840108217 FUBIGCAYONYHOM-DRSNIGMVSA-N 455.552 0.947 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1)c1ccc(O)cc1 1840220214 CIRBTJBJEMPVLO-LZCXECNNSA-N 483.565 0.872 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840819743 CGQQIHFAIZRGRV-AQPAOHHBSA-N 469.542 0.865 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1840908358 KDYSUUXIPKVDPB-URZJJNJKSA-N 487.557 0.796 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1840908815 HYVZWIQAPNMCKU-PNCHPQGNSA-N 465.547 0.538 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(C)=O)CC2)C1 1843972817 ATWSNCHVHYCCID-IBGZPJMESA-N 477.606 0.823 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)nc1 1844299758 PFPHMBJTYMTMKX-YPKZHZFPSA-N 450.517 0.831 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1845223011 ODIGEHJSNXXAGT-PTZPRWATSA-N 451.568 0.937 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1 1846160877 UBBHMVKMNUIJPM-WUYYXPQKSA-N 488.585 0.930 30 20 JCED CCn1c(=O)[nH]c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc2c1=O 108047154 ZSFQJZVITWKONR-UHFFFAOYSA-N 467.507 0.728 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(=O)N(C)C 586828076 RJSODAPHXLSMTQ-UHFFFAOYSA-N 482.541 0.836 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592988206 WENYJWOLBOHZQH-UHFFFAOYSA-N 482.541 0.861 30 20 JCED Cc1cccc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1C 603847236 KLXFRGNQYDIMIH-UHFFFAOYSA-N 462.620 0.660 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(C)(C)CN(C)C 608912161 GNEBXJICWIKZKN-UHFFFAOYSA-N 460.575 0.902 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnc3sc(C(=O)OCC)c(C)c3c2)CC1 728590172 UYGYEWZOIBZLDH-UHFFFAOYSA-N 464.569 0.837 30 20 JCED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 730726054 XUOMWPKBIZXQKD-CLXZYQIKSA-N 492.583 0.989 30 20 JCED CC(C)(C)OC(=O)NC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)COC1 1302242449 UGVSFYJLGUBWOL-IFXJQAMLSA-N 484.554 0.916 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(F)ccc2F)C1 1316354857 IWGNMNXWACJCEN-DOTOQJQBSA-N 468.486 0.666 30 20 JCED CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)Cc1nnc2n1CCN(C)C2=O 1473788586 OBTXOKTZKOXGKX-SFHVURJKSA-N 454.510 0.344 30 20 JCED CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1503290465 LGFMOLHORYAMAF-YTTGMZPUSA-N 455.588 0.986 30 20 JCED Cc1nccn1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1542977841 ZEKYIKDLAWKIPO-VQIMIIECSA-N 466.543 0.648 30 20 JCED CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1547599670 LMPSRJNNAUQMKN-UHFFFAOYSA-N 466.589 0.723 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1611308527 RAKFSPVONZYMFZ-WBVHZDCISA-N 462.580 0.859 30 20 JCED C[C@H](CC(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1)/N=C1/NS(=O)(=O)c2ccccc21 1652293058 NJTJIZRIWKSHMJ-GFCCVEGCSA-N 455.496 0.693 30 20 JCED CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1708823333 KKCNYCPFLJWZGA-MSOLQXFVSA-N 481.623 0.339 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1711419056 XEPDZXMFXCBALA-LJQANCHMSA-N 473.603 0.915 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN2CCCO)C1 1751278903 YYRPXZURRNWDGQ-WOIUINJBSA-N 495.650 0.588 30 20 JCED Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1C 1761809365 VVRJZLAZUXMYPK-QGZVFWFLSA-N 461.548 0.767 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2CCOCC2)C1 1770350524 NBYCLSRKTHYOEP-DLBZAZTESA-N 454.553 0.156 30 20 JCED Cc1cn2c(=O)c(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)cnc2s1 1778688097 CLKIRYYXEPNHRY-QVKFZJNVSA-N 458.496 0.280 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778851670 XOIKJXXAESZSKL-IVZQSRNASA-N 475.550 0.066 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1778973089 ZCANULDVTJWNCE-DVECYGJZSA-N 460.527 0.852 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779015580 ZQWWIPMWEHYHHB-FWXZJNEGSA-N 493.605 0.924 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779099915 PMUMCZLFZIJEMI-IDDKRFRRSA-N 489.529 0.352 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1779418751 ZNQQZNASNNYQQV-VDALEZFKSA-N 452.508 0.482 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1780168489 HVJRIPMYBVSPLA-OAQYLSRUSA-N 454.443 0.815 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781296498 YMSPCVWFEQEZGI-QVKFZJNVSA-N 466.535 0.398 30 20 JCED CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782010392 LQZHKQAQTVWLDF-WAIKUNEKSA-N 463.531 0.845 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(N)=O)C3)C2)CC1 1783150343 GPNOOYZIEVKNPF-HSZRJFAPSA-N 477.562 0.623 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)C[C@@H]2C1 1783434330 UWLLIUDTSUMDGD-XARZLDAJSA-N 461.515 0.551 30 20 JCED C[C@]1(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCN(C(=O)OCc2ccccc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c3cccs3)[C@H]2C1 1785330286 HCNRUCJHFOXQQD-ORIYOMJCSA-N 460.556 0.316 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1785577073 KJEMKZYJYDMJQA-HXOBKFHXSA-N 478.546 0.575 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CN5CCOCC5)[C@H]4C3)c2c1 1786725168 SXXOJQCIWJQINH-QRFRQXIXSA-N 452.515 0.360 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(N)=O)C[C@@H]32)c(C(F)(F)F)n1 1787200836 UQDOJOVFCBERSW-BPNCWPANSA-N 454.409 0.234 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1cc(=O)nc2cccnn12 1789199243 GGTXQIWQSZBQEZ-BJLQDIEVSA-N 479.537 0.381 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1789510477 QIYIEEJOKLRLBP-FLXRQSBHSA-N 455.540 0.954 30 20 JCED Cn1c(=O)c2c(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C5(C#N)CC5)C[C@@H]43)csc2n(C)c1=O 1789702794 KEXXITQAVZFBPE-BPUTZDHNSA-N 485.566 0.125 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccnn3)[C@H]2C1 1790644087 NNTVPKFBKKDPMH-FKSLSLAPSA-N 474.562 0.735 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCCCNC(C)=O)NC(=O)c3ccccc3)[C@H]2C1 1790697173 LLRUBDIPPIDOTA-GPJHCHHRSA-N 482.581 0.704 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cc(C)c(O)nc4=O)[C@H]3C2)c1 1792132111 JKQUUNKWHHWUQE-VDGAXYAQSA-N 481.509 0.431 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(C)=O 1792530897 BGUXMBRVXNEUBX-RHQZKXFESA-N 466.579 0.960 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nnc(Br)n3c1)C2 1793342788 RXAGOOJSXDDXHS-FAYQHZLMSA-N 476.331 0.733 30 20 JCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1793566857 ZYKILZJAIGZNFZ-OKYOBFRVSA-N 466.542 0.856 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C)nc1 1794556438 BTOSSAUALAKWCV-FCGDIQPGSA-N 457.531 0.905 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(S(=O)(=O)N4CCOCC4)c2)C3)CC1 1795413705 MJCPMWSCZGQGNB-OPVJXMOQSA-N 488.566 0.214 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1797121596 QVFNYYYPHGUXLH-BOQPXBONSA-N 496.605 0.995 30 20 JCED Cn1c(=O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)nc2ccccc21 1797782627 DTECLYMUZZYEHN-OPMZPASUSA-N 478.549 0.835 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)C=C 1797945967 CLWAVGOFXXMVKE-UNJWAJPSSA-N 490.601 0.964 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1799365405 ZAPNGPQBDXKFJR-WTWHYTEFSA-N 498.577 0.381 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(=C/c1ccco1)NC(C)=O 1799684933 NEERVNWXTQIQCU-VKJXBQDMSA-N 456.499 0.205 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCOCCOC)C2)C(F)(F)F 1800552966 MYCWROADLHFDSZ-ALXJQNPVSA-N 468.469 0.391 30 20 JCED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1800839173 FTPSINXDHHDJAP-ROEAWGTKSA-N 454.568 0.117 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1800878977 QHMKQWTWFMPSOU-RCLSDMTESA-N 471.558 0.542 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)C=CC2=O)ccc1Br 1801120422 FCPUDOVDTISDKG-YVWYUNDQSA-N 487.310 0.449 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2)NC(=O)OC(C)(C)C 1801930054 MLBVXDMEHJFNND-YYAJDYIMSA-N 462.551 0.878 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)cn1 1801992270 AHIIDCAQCVYKRE-BBIADKPPSA-N 498.561 0.780 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cn1 1812878518 JGYGRHUTOAIMJO-IIBYNOLFSA-N 470.507 0.429 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1814209591 RGHWMHRMEWTAHJ-SYAJIYQZSA-N 485.585 0.727 30 20 JCED O=C(C/N=C/c1ccco1)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330179 MWZLIUKVQIPNSI-SJGMLKTKSA-N 466.483 0.812 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2C(=O)OCCO)[nH]n1 1822201293 XWZBQKCVUCGBDX-QGZVFWFLSA-N 454.439 0.953 30 20 JCED CC[C@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828540040 WMFUTXNZFCHACD-FDDCHVKYSA-N 457.483 0.297 30 20 JCED CN(C)C(=O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828923120 RRXREQPCCFZGJV-QHCPKHFHSA-N 455.515 0.830 30 20 JCED O=C([C@@H](O)N1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828952791 ZYNXROHOVZMLSD-ZJSXRUAMSA-N 461.603 0.955 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829124980 UEYNERBBCDZFKA-IVZQSRNASA-N 473.555 0.633 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1829762297 COJQREYQSVGACV-XMYAASDLSA-N 466.538 0.806 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(Cl)ccc3F)C2)C1 1829764231 ICLNXKOFZZYNST-RMUOZIPVSA-N 466.897 0.803 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4sc(N)nc4c3)C2)C1 1829765174 KGJIQPQKDMMCOY-IYZQMXKPSA-N 485.566 0.807 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1829765968 CIAFETQWSWEXSQ-UZQCKINESA-N 453.499 0.491 30 20 JCED Cn1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)cn1 1830464502 HPMYOHQECHUDGX-DEOSSOPVSA-N 451.527 0.923 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830971838 QWWUBEWVEKVIQG-CYFREDJKSA-N 487.557 0.392 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831181453 JTVYOENNEYTDMH-PIHUTKNWSA-N 463.556 0.858 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3OCC3CC3)C2)C1 1831391518 PQFRBUNVZKUKGQ-KOSHJBKYSA-N 457.527 0.979 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1831421083 DGSPFBQSLCBVNM-IIBYNOLFSA-N 467.544 0.146 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831490086 WSTCEHJICKEPGL-JOCHJYFZSA-N 472.586 0.843 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)CC1 1831671787 XOHPIXMMQKNWET-QGZVFWFLSA-N 476.493 0.892 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832358350 YJLRNKRBAHVZTF-KNOQFWTLSA-N 477.602 0.807 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CNC(=O)c2cccnc2)CCO3)cc1 1832721416 ADMVGSFUXURUGU-SANMLTNESA-N 491.548 0.772 30 20 JCED Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1F 1833672278 JXILZFYNJFQGPG-FWAUGURXSA-N 453.471 0.456 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(=O)oc2)CCO3)c1 1834596414 HYTWYPORDNXZFB-QHCPKHFHSA-N 453.451 0.904 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)n1 1835099160 ANNILKASASGHHE-DEOSSOPVSA-N 452.511 0.651 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)c(C)c1N)CCO2 1835867926 PANKTDGKDWCUAO-KSEXMQBYSA-N 460.506 0.645 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836989213 LVTYBQUCGQXEMT-MWTRTKDXSA-N 457.483 0.126 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1837439221 JUCKSMHRCYKBTJ-DZHDYZGWSA-N 451.474 0.902 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837445235 LLLJVILHDYNPFN-NWBNNPRYSA-N 459.503 0.352 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1837524284 DVADEVJZOKFELZ-XILVHTRDSA-N 467.910 0.729 30 20 JCED CCc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1F 1837524308 FEPVKKFPRLVFDG-OWNHUBEZSA-N 467.498 0.710 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837529026 OQRZJPYHBIBSQQ-MBIGCVILSA-N 461.519 0.428 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531077 BTTNXVXVCRWESN-DXLWNWQMSA-N 475.502 0.006 30 20 JCED O=C(NCC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1cccs1 1837559961 KTCNTYHZJJCKHY-NYNQOQISSA-N 474.539 0.646 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837636493 AJQCBMVNVHXVQG-KUSROVSMSA-N 476.530 0.709 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838036627 DKJUIWRYGCSGCA-AGVQAPASSA-N 471.461 0.877 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838073060 VKXAEVCJWYYEGL-IVZQSRNASA-N 477.518 0.102 30 20 JCED Nc1n[nH]c(CCC(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)n1 1838368016 CNHGJNZCJLLVAU-SGSZHJQISA-N 477.566 0.847 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccn(C)n4)C3)C2)c1 1838581637 DUHWSVDWRSGAEE-QHCPKHFHSA-N 453.499 0.613 30 20 JCED COCCOCCOCCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774517 YKOXCLITNCXPQL-UHFFFAOYSA-N 454.520 0.143 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1 1838830910 SQEXCFNKBWUZGY-MBIGCVILSA-N 477.518 0.474 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)C(C)(C)C)C3)C2)c(C#N)c1 1839131418 XGTXXBTXJMUKGO-ZJSXRUAMSA-N 459.543 0.973 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)c(C#N)c1 1839131442 YNSHBYDPLDRVBM-XMMPIXPASA-N 488.610 0.615 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839666717 GPLROFARZYXQQB-CHTLSXEVSA-N 483.525 0.368 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Br)ccc3O)C2)C1 1840043446 ZGPHRRLROVXQKQ-IBGZPJMESA-N 467.272 0.313 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COCCOCCOCCOC)CCO2 1840082843 TVGDDLGRYBOWDP-DEOSSOPVSA-N 484.590 0.333 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C(C)(C)S 1840110742 BZKILROSBSCNJG-VGSWGCGISA-N 499.586 0.133 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3O1)CCO2 1840135113 HQDCMLPVFKJMMO-NINAQYMOSA-N 469.538 0.695 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840276124 ADQAEGPXWXJUNG-IWRZYZMASA-N 457.527 0.945 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)cc1C#N 1840762701 KZDGXASOJCWNJX-DEOSSOPVSA-N 486.525 0.868 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840799609 FIENXWKYOITQKG-NBGIEHNGSA-N 473.570 0.836 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843809296 RPPLTOIVAMLOTK-SZMVHAFZSA-N 479.497 0.917 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cc(C)c(O)nc2=O)C1 1846967088 LRZWOVUSERMICN-MRXNPFEDSA-N 475.546 0.930 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 11675676 NFMVNYYGAWFWAZ-JOCHJYFZSA-N 478.571 0.897 30 20 JCED COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 19420148 LQQNYYMVMKKPQJ-XZOQPEGZSA-N 454.483 0.964 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 29660342 OGGWRNKODNMZHI-UHFFFAOYSA-N 499.568 0.988 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 108305418 PZOANDBYAQIUCX-JJIBRWJFSA-N 470.511 0.697 30 20 JCED COCCOCC(=O)NC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 499812313 NBFNMWVTJQVEOH-UHFFFAOYSA-N 492.598 0.729 30 20 JCED N#Cc1c(CCCNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)nn(-c2ccccc2)c1N 519898631 HRYHKVNHOCMQGV-SFHVURJKSA-N 465.558 0.556 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCc1ccccn1 523857422 MREPSAALDFURSI-UHFFFAOYSA-N 475.509 0.516 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3c(F)cccc3F)c2=O)cn1 523864786 CDIJQPVUZPNESE-UHFFFAOYSA-N 471.489 0.755 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)c1=O 725786005 YTMPURUAIBPEAQ-IBGZPJMESA-N 489.598 0.500 30 20 JCED COc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)NC3CCN(C(C)=O)CC3)CC2)cc1 725793035 ZPJVAAWFMPRHQM-UHFFFAOYSA-N 466.560 0.979 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc(C(=O)Nc3ccc(OC)cc3)s2)C1=O 726042616 LOIOLVWIWGYOPP-UHFFFAOYSA-N 459.440 0.819 30 20 JCED CN(CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C)c2)c1=O)c1ccccc1 726579147 XKOJQPRWTMBSES-UHFFFAOYSA-N 462.579 0.951 30 20 JCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c1=O 727165039 VMOZATFBBMTBED-UHFFFAOYSA-N 483.999 0.849 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCS(C)(=O)=O 729674465 HWJGMSNPRXXWKX-CYBMUJFWSA-N 463.537 0.981 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 917748249 AUPZJYKSXCXZMG-LVZFUZTISA-N 472.570 0.948 30 20 JCED CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)ccc21 917937752 IUXJFJAEJATOJG-UHFFFAOYSA-N 491.547 0.975 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCCOc1ccc2c(c1)OCO2 919034096 KZKYQLJVVJMKMD-UHFFFAOYSA-N 461.452 0.304 30 20 JCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(CC#N)CC1 1116005548 HHACTRUPZOUKBB-QGZVFWFLSA-N 477.008 0.526 30 20 JCED COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c(OC)c1 1300040956 IFBNYIFWQAATII-WOJBJXKFSA-N 465.507 0.954 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CCO1 1315014385 WIHQHAZBMQSIHL-FQEVSTJZSA-N 466.590 0.794 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 1541513961 KMXMWPOYHNTPPV-FXAWDEMLSA-N 470.596 0.529 30 20 JCED CCN(CCC#N)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1653867202 XYNKBSOEWHOHQX-UHFFFAOYSA-N 458.562 0.635 30 20 JCED Cc1c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)cnn1C 1724133512 QGORQEZFHFFOHQ-GOSISDBHSA-N 462.580 0.831 30 20 JCED CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1727357506 XIUXDEDELBYOJE-SJORKVTESA-N 468.580 0.547 30 20 JCED CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1728359136 LSHREGUCXDMROH-UHFFFAOYSA-N 474.591 0.950 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1728652295 VFSDGQWWNNNXFG-NVXWUHKLSA-N 463.608 0.519 30 20 JCED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1764565258 LNUNHBVJPANKAB-UHFFFAOYSA-N 450.547 0.744 30 20 JCED COCCN1C[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1769886336 VVCLHGXXOYPGES-CVEARBPZSA-N 473.559 0.493 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)CCO2)C1 1778969821 SRSIMLRLEYGLDA-UQBPGWFLSA-N 483.569 0.896 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)[C@@H]1SC(=N)NC1=O 1779101519 MJEHUKOJMZAZJY-PDBMPJOPSA-N 467.548 0.148 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779543632 XOWZPEKZXCYSOX-SJCJKPOMSA-N 472.283 0.496 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)NC=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1781254194 FPLGERJJHYHEKG-HYFFOGBASA-N 450.536 0.516 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CC1 1781963446 HOPNPHPDIZQRIE-QHCPKHFHSA-N 457.506 0.305 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CN5C(=O)CSC5=S)CCO4)C3)c2c1 1782198272 IERKSOJOQVAHNZ-OAQYLSRUSA-N 484.563 0.738 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783678837 BDMUFPNAWGGTRI-UGKGYDQZSA-N 458.552 0.104 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C[C@@H]21 1784482072 FGMMNHQFDZBIOS-BCYZHJNNSA-N 467.563 0.544 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1785576944 RMDHOCWYNWAFGY-OHUGHZGNSA-N 491.633 0.369 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1785576985 KAHSKUQLXKURSE-IVZQSRNASA-N 475.550 0.066 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1785596323 JSMJDDCKVTYHLH-HAVHLTCRSA-N 464.563 0.810 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCNC)[C@H]2C1 1786857531 PWNICXIYVVLYGY-VJANTYMQSA-N 450.580 0.882 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788507231 RBZNKYNLCGORJJ-BQFCYCMXSA-N 453.503 0.250 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1788656690 RWXSEHRPGCZSHT-AECWZUDPSA-N 475.546 0.643 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789342866 SKILGMKCKUZEAQ-BMFAXAFESA-N 475.546 0.755 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1789912131 ONCHFJOLKJGIDU-HUUJSLGLSA-N 497.552 0.713 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC(c4ccccc4)=NN3)[C@H]2C1 1790543147 BXNUCDTZWCYCJS-HELMIZECSA-N 465.554 0.591 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1792145240 NZDLZJHKSLULIU-ONTIZHBOSA-N 477.521 0.742 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1C)C2 1792484222 IWXQOUCQZHHAEX-CQXGLVPUSA-N 452.555 0.491 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](CCN(C)C)(Cc1ccccc1)C(=O)O)C2 1793347220 ABJAKMGUXVUTBX-DPPZXVMFSA-N 499.608 0.880 30 20 JCED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1793364645 ZVIDBQNSFOXMIN-HBCWATKFSA-N 457.512 0.544 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1793832986 HXYPAYVOCBDVAV-FZKCQIBNSA-N 466.535 0.637 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O)NC(=O)OC(C)(C)C 1793948516 VFIGFCAUSXNVKF-WPECMILSSA-N 493.561 0.034 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)CC1 1797136744 GUOIAWAQLCHKAU-VTYHHJSWSA-N 474.583 0.362 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4ncccn4n2)C3)c(C#N)c1 1799237299 GXZFTAVUNNSANV-XEMDLRDOSA-N 461.482 0.450 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1799305145 RDAVJQSFZPBYGB-XEMDLRDOSA-N 479.555 0.339 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1CCC2 1799969588 QFQNUBPXNDQIAB-YNVMFWSZSA-N 471.558 0.949 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(Br)ccc1[N+](=O)[O-])C2 1800774609 NHCHWSYKDAZCCM-DBWKPXFBSA-N 480.271 0.577 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)NC(=O)OCC)C3)N(C(=O)OC(C)(C)C)C1 1801102271 CSJHYYDOXIEDBK-OREBXVKISA-N 496.561 0.206 30 20 JCED CCN1CCN(c2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)cc2)CC1 1801878164 RDGMTONKCBUQHZ-BBIADKPPSA-N 454.527 0.120 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1802148514 CNNITZRNGGCGGR-DMUMMCEESA-N 485.541 0.530 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1802188177 NUCSFCCNNBJPAD-UGNRZPKXSA-N 494.589 0.246 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)ccc1F 1807048101 PGJOZGGXUHZZGY-KPDCDPCYSA-N 466.517 0.934 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1808441845 ZQDRJFBSZAQUJV-QFBILLFUSA-N 468.447 0.322 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1811188005 XAXGQYIOWJFWPU-PGRDOPGGSA-N 476.537 0.989 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(F)c(C#N)c2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812392724 WAHWPFVGPWHYKF-JTSKRJEESA-N 481.484 0.884 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]cc2I)[C@H]1c1cccnc1 1812881607 XCCQVBJFMULVBX-SJCJKPOMSA-N 493.261 0.817 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1828359257 QJXIGTUNXRCOSW-GOSISDBHSA-N 453.561 0.366 30 20 JCED C=CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1828585745 ZAYWWNAANIMDDO-KOSHJBKYSA-N 487.557 0.698 30 20 JCED CCN(C)[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829241463 HQPLUXYUKIWNPB-DFBJGRDBSA-N 484.553 0.867 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)cc1 1829626972 QPDMVFGZQXNQHP-XMMPIXPASA-N 472.611 0.996 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C1 1830635402 YTCYDYXPMNDQKG-DYESRHJHSA-N 457.593 0.539 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(NC(C)=O)cc3)C2)C1 1831392736 NJTPUWKHVYYMEV-HOYKHHGWSA-N 457.527 0.682 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1831418758 GPAIUDLCZTYOBY-IMWIBFENSA-N 497.589 0.670 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)CC1 1832134710 CESRLLQRDNVSQJ-BOECQMNCSA-N 484.601 0.935 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1832455871 AMQPCOZNWXCOFX-FQEVSTJZSA-N 475.633 0.034 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)CCO3)cc1 1833028063 JHEOMWXQIXPRGF-BVZFJXPGSA-N 493.520 0.635 30 20 JCED CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1835057717 KYRLBCZUJFUKBI-HXUWFJFHSA-N 470.574 0.956 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2)c1ccc(O)cc1 1835262193 YCNYAXCVDRGQKU-CVDCTZTESA-N 478.567 0.390 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(N5CCOCC5)cc4)C3)C2)CC1 1835342572 WBWFRDYTKGQIFN-XMMPIXPASA-N 454.527 0.897 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1835641934 IJVCZZAGSNCHRZ-HSZRJFAPSA-N 471.558 0.737 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1835680966 QDWSGBXVIKECES-QFIPXVFZSA-N 462.503 0.155 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835682669 QENDELPNGGSDGK-RUZDIDTESA-N 486.569 0.754 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1836371367 RJFMSQDOOOUMDK-PRPIBZDOSA-N 474.650 0.052 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1837396583 GKESTYWDCIDWDM-RCDICMHDSA-N 475.571 0.917 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1837444010 WHISQKOETKTXCS-KQHYHWCPSA-N 456.543 0.918 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837489700 PXGKZKHPVPKMHY-DEOSSOPVSA-N 456.543 0.564 30 20 JCED Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493825 ZMTLNOCULJEJPZ-YADARESESA-N 458.559 0.908 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837525608 XPDXETAREQUNDY-VRRXETNQSA-N 467.910 0.729 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1837527109 XJJKRLJPMLIXTK-DKQKECBASA-N 464.544 0.969 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837563501 NGIUDNITFJICQP-JBMWNJKUSA-N 452.471 0.511 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837677692 BENZSAYNNOMSQT-UPCLLVRISA-N 482.541 0.809 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837701547 QQWFMXVZAOYYQC-WNSKOXEYSA-N 466.498 0.195 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc[n+]([O-])cc5)CCO4)C3)c2c1 1838339680 VZXZLYCCZZEXFT-QHCPKHFHSA-N 462.466 0.452 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1839228524 GLBQCRZHSZFJHC-NTKDMRAZSA-N 474.558 0.982 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363239 PNLARNFTXCZTST-UZUQRXQVSA-N 457.531 0.530 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839371716 MCHHNZSURWNGIB-JOCHJYFZSA-N 450.488 0.856 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c(O)c1OC 1839377287 VJJMAVJPWLGPHO-QHCPKHFHSA-N 470.482 0.993 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)cc(C(F)(F)F)c1 1839442892 HDWNFNRVOSXZLY-NRFANRHFSA-N 494.474 0.487 30 20 JCED C[C@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCO2)C1 1839443621 QQENGDSLVXBGME-VBKZILBWSA-N 468.432 0.782 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839668063 YHCGZLSKVISSAO-HJPURHCSSA-N 466.498 0.170 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839683570 GUANYYQBWWIWLD-NPJIFZGSSA-N 454.524 0.476 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839888396 KUDVTWVXIRLCDR-HXUWFJFHSA-N 452.458 0.479 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1839889506 XPNHFJARLDGLSO-NRFANRHFSA-N 493.467 0.960 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)C[C@@H]2C1 1840003113 WOTJUDQVNXORNC-VEYWIMSWSA-N 491.541 0.178 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044471 YJRHVEOIUJCGRD-UZUQRXQVSA-N 479.530 0.178 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)CC2)CC1 1840161210 IDRLFBSHHDBIRC-HOYKHHGWSA-N 496.674 0.484 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840289624 GXQVHBMVRAJEBW-WAIKUNEKSA-N 476.530 0.673 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840457835 WMUGAABIYJQBKI-WXHUKZBHSA-N 461.519 0.395 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1)n1cnnn1 1840477145 BYCVQNQRVXLHQC-RXVVDRJESA-N 462.627 0.742 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840488469 MOJQROYVDIHQSS-YVCITRLUSA-N 499.568 0.863 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1)NC(=O)OC(C)(C)C 1840795624 STCNIDYJCCYISM-IUKKYPGJSA-N 468.595 0.897 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840801229 RCRDRSTWIIVHKM-VGOFRKELSA-N 455.552 0.949 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840908372 KSVMERUKHGASTH-JPYJTQIMSA-N 490.561 0.041 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)on3)C2)C1 1840909250 XLMKGIVLCCIKQT-DVECYGJZSA-N 490.557 0.899 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)C(C)(C)O 1840916459 JKZNAJOYARZHLH-IIBYNOLFSA-N 454.524 0.021 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2)C1 1840916660 WJSTZBLBCADQOU-QZTZHPFYSA-N 497.589 0.145 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842058833 HIIFFSSIQBRTNL-FAKTWKTMSA-N 459.503 0.725 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1842061694 WGXIQLOBQKXZPD-MRXNPFEDSA-N 457.487 0.466 30 20 JCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)c2)c1 491217501 QBOINALAEKIFNY-UHFFFAOYSA-N 469.519 0.963 30 20 JCED CC(C)C[C@]1(C)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 503735172 MCVVRBKYDBZDRH-NRFANRHFSA-N 461.544 0.748 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccnc3N3CCOCC3)CC2)cc1 506529884 DULVNUKMLYIZKV-UHFFFAOYSA-N 484.538 0.261 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(OC)c3Cl)c(=O)n2C)CC1 517400984 FXNPDNZHDKAHOC-UHFFFAOYSA-N 476.986 0.785 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCc3noc(C)n3)cc2)c1=O 517986478 VMVLFMHGUVSXGL-UHFFFAOYSA-N 483.550 0.856 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCc1ccccn1 523572304 KAHSKHFFBKTMGO-UHFFFAOYSA-N 479.518 0.721 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)cc2)c1=O 603795982 YCVQHNNLDWEBJO-UHFFFAOYSA-N 457.552 0.707 30 20 JCED N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc1 609005499 NNPFPTHZDPSSTG-UHFFFAOYSA-N 498.565 0.698 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 612642942 GZVAUDPZCICQDH-UHFFFAOYSA-N 481.556 0.365 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 729673500 SPNSLCNDNZWODL-UHFFFAOYSA-N 461.565 0.088 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 749504576 IRBJLPHZFPHEGA-UHFFFAOYSA-N 461.478 0.119 30 20 JCED C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)NC1(C#N)CCCCC1 760728208 XXRHCQXNRDBBQC-OAHLLOKOSA-N 452.533 0.934 30 20 JCED CCCCOc1ccc(C=NOCC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1OC 901379494 CDLCHTGLANMIBR-UHFFFAOYSA-N 490.557 0.754 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc([N+](=O)[O-])c3)c(=O)n2CCOC)CC1 917768278 FFUQEMHXKJLOSF-UHFFFAOYSA-N 477.568 0.193 30 20 JCED C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N1CCOCC1 1360584571 YGINUYCJRCAUSK-IBGZPJMESA-N 483.573 0.744 30 20 JCED C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCS1(=O)=O 1509952832 PHCUSPPKCQIADO-MRXNPFEDSA-N 495.631 0.969 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1540549304 JIXUJQOPJNEUJW-JXFKEZNVSA-N 455.540 0.596 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1547748269 VJONOPUFERUECX-MRXNPFEDSA-N 481.623 0.903 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1555816327 HIVCKMCXSARZBY-FQEVSTJZSA-N 490.586 0.910 30 20 JCED CCN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1695567417 LETVAFUIUWITSC-QGZVFWFLSA-N 496.615 0.634 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)c1 1712687081 OJCHYZCMHVWELJ-RBUKOAKNSA-N 474.587 0.924 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCN2CCCC2)C1 1712706336 LHCPXZMORYWRLP-GOSISDBHSA-N 451.597 0.837 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1750998968 YKEDCIMQMZCQRV-IBGZPJMESA-N 485.614 0.898 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1778784518 NZLRXMFOBDYTLE-ZARSWLQMSA-N 451.501 0.381 30 20 JCED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1)C(=O)O 1779422199 VRWFGMAZHVIFIA-HIYRQUNLSA-N 454.524 0.092 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c1Cl 1780097565 VTSLXDPJVPNQFO-WJONJSRFSA-N 473.917 0.937 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782954411 UKMBTSKRKLDFBR-JKSBSHDWSA-N 485.603 0.863 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cncn1)C2 1783268384 JDWAGQDUPMIABR-YZZKKUAISA-N 474.562 0.709 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1784485140 IEJMCWTWOXUMOR-SPOLIRPYSA-N 467.563 0.280 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784596624 BKARQXCZIKKODR-HYFFOGBASA-N 477.566 0.924 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n(C)n3)[C@H]2C1 1785595163 OHEXADSXXKPUAW-CUSZFKRNSA-N 475.546 0.636 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCCS3(=O)=O)CCO2)C1 1785596566 LUZOZAXDBHQAOF-IEGYKGNPSA-N 497.614 0.863 30 20 JCED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)n(-c2cccc(=O)n2C)n1 1787152832 HLEJGXJQDSRLGK-LNLFQRSKSA-N 452.515 0.777 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1787473479 YZHPJJXFLFXKHM-CMOCDZPBSA-N 454.571 0.630 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCN(C)CC4)C[C@@H]32)c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c1nc[nH]c1[N+](=O)[O-])C2 1793597647 QPVMTCYUSQKCQZ-LXTVHRRPSA-N 478.506 0.991 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)C2 1797709853 NGPYNHCTAWSUIL-SVKAJCTQSA-N 495.617 0.910 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/N3CCCCC3)cnc2c1 1797742282 QHQKXXLQUXICKU-PMEUBLMBSA-N 466.542 0.678 30 20 JCED Cn1ncc(Br)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742326 UDXYPFYPMYWGKR-UWIRNRKESA-N 467.368 0.858 30 20 JCED Cn1ncc(I)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693644 ZIASNWNAWAPQMM-JJLQDPRZSA-N 494.293 0.741 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC=O 1799288179 SJJXVXCXUKTMMT-QTMHVTGLSA-N 464.563 0.407 30 20 JCED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2c(O)nc(NC(=O)C(C)C)nc21 1800345393 RGJMKVVHVBOGRY-CUSZFKRNSA-N 499.572 0.928 30 20 JCED Cn1ccc(N(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)Cc2ccccc2)n1 1800778877 JBBBHRIZPHSALD-NXKWYNOOSA-N 479.537 0.494 30 20 JCED Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2n[nH]c3ccc(C#N)cc23)c(=O)nc1O 1800878120 GGUKJORMPRVFOO-MUJYYYPQSA-N 461.482 0.957 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C 1802139540 DHEUHCCTPDTBQG-PQTWZCJSSA-N 476.574 0.736 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1802151689 JJAMPOVAMHVLHU-FXSBOJCJSA-N 494.589 0.099 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1807125532 SFDFCNDCYVTMAL-SQGPQFPESA-N 473.530 0.418 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]2c2cccnc2)c(C#N)c1 1807194521 RJLJBOJFHCRZMZ-JLGINSKQSA-N 478.553 0.803 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1808465257 YHHZUTPNMDONMP-VGOFRKELSA-N 454.483 0.522 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1810249318 WWSRCDVYWMTAPL-HHXXYDBFSA-N 465.514 0.705 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810566845 UVJNZJPEOOGZRZ-UELWFWLSSA-N 475.546 0.768 30 20 JCED N#CCC(=O)N1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812443198 ANYBXQRHIZUHTL-MIALQEHNSA-N 470.555 0.181 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1812494358 VDFJXFNAHPHVAO-XPTFVZAFSA-N 460.556 0.523 30 20 JCED CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1)C(=O)C(=O)O 1819456516 KHLNSPPQJMWAKR-ZQJSWBPRSA-N 464.479 0.474 30 20 JCED O=C1CN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)C(=O)N1 1824972456 UZFCHVOWCGOORD-RDRJKUMFSA-N 463.535 0.687 30 20 JCED CC(C)[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330661 NMMGKBCDCOJACB-XUZZJYLKSA-N 471.510 0.543 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccc(O)nn3)C2)C1 1829332416 KLBNJWVFCVIUND-XMMPIXPASA-N 493.476 0.336 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4[C@H]3O)C2)C1 1829762760 QNUOXEDABKRFPU-WTJMMKIKSA-N 483.565 0.597 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)C(C)(C)C)CCO3)c(C#N)c1 1830631299 VMYHWZOBPOHTFL-XUZZJYLKSA-N 459.543 0.973 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(OC)OC)CCO2)NC(=O)OC(C)(C)C 1831043832 SRZQUDQCROUHTF-SBUREZEXSA-N 485.578 0.921 30 20 JCED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1831138784 KMDALSSABOHUSD-HSZRJFAPSA-N 460.531 0.924 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4N=C(C)CC4=O)cc3)C2)C1 1831396598 FVZQANCBNQWVLH-UQBPGWFLSA-N 482.537 0.908 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1831428030 XPZGZBPZFSQXJX-BTYIYWSLSA-N 464.475 0.660 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)CCO2 1831524587 VFUXLAGZSULXSE-NTKDMRAZSA-N 469.538 0.900 30 20 JCED COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1832581072 SCQATJADFISHIH-XMMPIXPASA-N 473.574 0.761 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833146690 ZPQLAWDSDLSEDM-GOSISDBHSA-N 465.595 0.993 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)CN4CC(=O)NC4=O)CC3)CC2)c1 1833712542 FBYHLESGXRXOJB-UHFFFAOYSA-N 470.505 0.434 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3O)CC2)CC1 1833961604 DSDOBGVCALHUDB-SREVYHEPSA-N 457.531 0.129 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835678071 XQOAUQCZDDURKJ-VGOFRKELSA-N 451.568 0.029 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835710772 YXHPIYQDMSCERQ-CNQUNWPHSA-N 480.610 0.795 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1835766078 WKEPCBYZCKUVNC-DYOPXDPWSA-N 451.524 0.195 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835768323 YXWFTGKDJFGUNC-AHBLATNWSA-N 451.568 0.612 30 20 JCED C[C@@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835808775 SGKSEDGXLSBHKZ-SFHVURJKSA-N 458.611 0.768 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836058669 QHAAAZLCFLRSDK-DVECYGJZSA-N 491.589 0.888 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nn(C)c(CC)c1I)CCO2 1836232822 FVAFRRNWMPLJGX-SFHVURJKSA-N 486.310 0.290 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cc(Br)ccn3n1)CCO2 1837184754 WNTHZZXNDZWOBX-HXUWFJFHSA-N 491.298 0.255 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1837214858 YUQRJLWWUBQBHC-QUZZAMIASA-N 474.514 0.448 30 20 JCED COc1cccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837488418 DMMJIVHGUQVWML-VWLOTQADSA-N 471.554 0.788 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838401947 CWNWMQGVBHTNDW-CUZBYGMDSA-N 482.578 0.165 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(C)c3)C2)C1 1839174402 ZOYPTUYIJBUVKD-HSZRJFAPSA-N 461.515 0.978 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1839176255 DRENFUNVNIZPQC-XMMPIXPASA-N 489.573 0.298 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1839227610 VMHIVZRXCPSFGA-JLTOFOAXSA-N 462.532 0.957 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839389673 DHQPDWPCXHLKMU-FMCXKJFYSA-N 484.509 0.925 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)c(F)c1Br)CCO2 1839400781 YXEHFOZUYSDOBH-IBGZPJMESA-N 487.253 0.885 30 20 JCED C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2)C(=O)O 1839488738 CKRNTPZERCJFRZ-YCVYBEAYSA-N 453.455 0.535 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839648741 GKQZXWHMXRFCBI-HZUJZGFBSA-N 456.499 0.433 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839705534 JSZMPDVLXXDFLF-BSRJHKFKSA-N 492.577 0.765 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1840222034 AHVKPMAYIINDDO-MFSJNOQSSA-N 482.541 0.593 30 20 JCED CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)OCC 1840280851 KDDJTBQGQVXQPZ-QFIPXVFZSA-N 454.568 0.514 30 20 JCED CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2 1840762725 MLSJINFGXSGCJY-HSZRJFAPSA-N 458.515 0.552 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1840819583 URGPHXOYIHDSSG-HSZRJFAPSA-N 472.498 0.236 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1840820216 FIKDUZYGLNWZDE-XMMPIXPASA-N 494.483 0.889 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCC)NC(C)=O)CCO2 1840854824 OUXANVRSCLMKRM-AVRDEDQJSA-N 453.536 0.257 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840856018 BGUITQQLXPMZDA-WIOPSUGQSA-N 471.529 0.743 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840906716 HZENWGQASKHIGX-HOYKHHGWSA-N 487.557 0.392 30 20 JCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1846331442 ZAGGLXBCEDDQPO-KBPBESRZSA-N 463.622 0.836 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c(O)nc(NC(=O)C(C)C)nc21 1847811829 MQFIIJCNBSYSKM-JYJNAYRXSA-N 485.545 0.919 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 16558365 RTVGRFJFKHPGIQ-ZDUSSCGKSA-N 465.509 0.430 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 514459319 GARBSFBKSROJTH-KRWDZBQOSA-N 468.601 0.747 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 517193032 HIBBLXHQSLDMQX-UHFFFAOYSA-N 464.438 0.958 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CC(N)=O 589158880 FPZUULCQVSVELB-LBPRGKRZSA-N 459.524 0.539 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(S(C)(=O)=O)cc3)c(=O)n2CC)CC1 604119011 YQPUFNNGHLXZAL-UHFFFAOYSA-N 474.608 0.000 30 20 JCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O 608828950 SXVIBLWVTZKHMG-UHFFFAOYSA-N 496.614 0.942 30 20 JCED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2C)c1=O 608912092 OAYOEDWXJIJFPQ-UHFFFAOYSA-N 456.616 0.793 30 20 JCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 609146873 QRIGAYVOQQXERV-SFHVURJKSA-N 457.579 0.790 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 728535121 ZTLCYTKISMUUAF-UHFFFAOYSA-N 496.549 0.577 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC[C@@H]3CCCO3)cc2)c1=O 838281032 WXWQNLBWLDPUTQ-IBGZPJMESA-N 469.563 0.896 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)[C@H](C)Oc4ccccc43)CC2)o1 915384480 TZLAREYAKXUMBE-AWEZNQCLSA-N 453.455 0.861 30 20 JCED CN(C)C(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918300090 WUEMQTMGGMFOFC-PTGBLXJZSA-N 463.560 0.765 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(c3nncn3C)CC2)cc1 918435693 SKEMDNNQIDUDBL-XIEYBQDHSA-N 473.559 0.973 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286630282 RLTSHJYJRDVMIL-HUUCEWRRSA-N 457.000 0.722 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 1315748759 OPAWNEHUZHGROF-UHFFFAOYSA-N 472.571 0.937 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1Cl 1441427032 SHUICEWWSSTAIK-KGLIPLIRSA-N 452.920 0.374 30 20 JCED CCNS(=O)(=O)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1545441535 QOQGCXGNOTWBFG-UHFFFAOYSA-N 450.542 0.730 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1554442641 RYKCDXWKYICXJP-AWEZNQCLSA-N 451.409 0.446 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCn2cncn2)CC1 1586803041 VDWARLVFSBUVLP-SFHVURJKSA-N 459.576 0.720 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1706937700 RKEGYBOXJPSDPQ-HZPDHXFCSA-N 470.621 0.734 30 20 JCED CCN(CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1710063618 KJGACSURCHOQHH-QFBILLFUSA-N 457.576 0.785 30 20 JCED CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747416454 VITSFZWWYUHPKQ-INIZCTEOSA-N 458.548 0.257 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@H](CC)C1 1749269065 MIOPQDVIENPFON-IAGOWNOFSA-N 477.031 0.911 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CCO1 1750025146 QPHJYSJBKJJFAU-KNQAVFIVSA-N 472.571 0.938 30 20 JCED C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1750059719 UETNSYNCCHAOQB-OAHLLOKOSA-N 455.610 0.489 30 20 JCED CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1768976514 IPAWKXFAJAWNCU-QGZVFWFLSA-N 496.615 0.634 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3c2NC(=O)C3=O)C1 1779147320 HJUKFBVTYPKZOK-NTYIRJOJSA-N 480.521 0.807 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1779323873 UFUOWVDPKBLLLG-CPFMVNKCSA-N 467.567 0.737 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1779364394 WTUVCTCEYWLWSG-DGAWEYSBSA-N 461.485 0.651 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC(C)=O)OC(C)=O)C1 1779402951 SBNMCNIMGWCELS-PABYOWBDSA-N 468.547 0.568 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](O)N3CCOCC3)C2)ccc1F 1779415225 HQTLZDNABKSCMV-AGILITTLSA-N 474.533 0.404 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781200757 QOMVAEFONREDIQ-VGOFRKELSA-N 453.536 0.396 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)ccc1F 1781298782 UZBGQKQIIYMZHN-QFIPXVFZSA-N 487.513 0.535 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1781732043 PHULEGCFVVHHMN-KBDOHKNDSA-N 468.554 0.825 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2 1783272380 VJXZRZDRYRRXLI-ZBWOKKAISA-N 478.594 0.453 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4)C[C@@H]21 1783530569 GPDRURAUYRFDKB-JWKLDCHBSA-N 452.511 0.633 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783686200 ISRSPVPZRIUSED-HSZRJFAPSA-N 454.564 0.706 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1783771255 PJHQMJNPHKWGAU-VGSWGCGISA-N 462.551 0.968 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1)NC(=O)OC(C)(C)C 1783786827 GAXOQMCWQSYIOG-QVKFZJNVSA-N 452.508 0.576 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784535034 LKYAKAYUOSQVQN-KSWRQPAISA-N 459.609 0.806 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1)n1cnnn1 1784595994 VVKYHNRWUWYHHM-SGTLLEGYSA-N 464.408 0.663 30 20 JCED COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)cn1 1786858427 OZSHWAAIFRKCAO-LNLFQRSKSA-N 457.531 0.743 30 20 JCED COC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1 1787197995 KMVKUXKNIHZKQL-CQDKDKBSSA-N 469.420 0.921 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)NCC)[C@H]2C1 1788569404 YGXZXRLZOYXEPG-BCYZHJNNSA-N 493.605 0.590 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631326 JVMIUIFWFLGNQH-MUGJNUQGSA-N 493.601 0.550 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1789892264 KPYOZCQMRWIKIM-XIRDDKMYSA-N 457.487 0.538 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)C[C@@H]32)ccc1Br 1790196771 NDOTUKLCAOABPG-KWFCSAJOSA-N 477.359 0.637 30 20 JCED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)ccc4F)[C@H]3C2)CC1 1790224448 HIDFEMQUNZJNBL-VCOUNFBDSA-N 457.550 0.928 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(C)=O)C[C@@H]21 1792266816 ULOPGPGNIYLJNL-OKYANQEVSA-N 478.590 0.960 30 20 JCED C[C@H]1[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CCN1C(=O)OC(C)(C)C 1792351283 UYXIEINTUGYWOA-JCECYMMASA-N 463.531 0.700 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)[C@H](O)C1 1792452049 NKOILIDMFVQCFU-RHQZKXFESA-N 476.574 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=CCN(C(=O)OC(C)(C)C)C1)C2 1792484799 SGLYNAAOUCZHAT-DAAUIIPJSA-N 474.558 0.612 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CSCSC1)C2 1792490245 QYSYMYRRTJQIJE-RDEJHRBNSA-N 454.618 0.477 30 20 JCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1793571195 WYYGFUKYXWZMDL-KSWRQPAISA-N 450.536 0.432 30 20 JCED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1793571197 WYYGFUKYXWZMDL-UUAJXVIYSA-N 450.536 0.432 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(-c3cccnc3)c1)C2 1797808349 CDGAMMXHCUKEQK-KXLQCMJNSA-N 468.514 1.000 30 20 JCED O=C1COc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C/N=C/c3ccco3)cc2N1 1797837706 IEPPYYBQBYIMKK-BPAHVTBESA-N 452.467 0.933 30 20 JCED COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)cc1 1798696095 ZALGINRVQLTVPW-UPHUGPLXSA-N 452.467 0.955 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)N2CCN(C)CC2)c1 1799185168 ZJMZLRUZSHROCG-IBHRTIHJSA-N 455.559 0.406 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CNC(=O)OCc1ccccc1 1799318429 HVIBKLFWNYDNFH-BQLJZFACSA-N 498.580 0.997 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1799391822 QFPYWPQIGLZFSV-OAFZBRQQSA-N 466.560 0.630 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800778639 KRYXZUZUYIHMCV-PZTGFMGMSA-N 463.531 0.701 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2)NC(=O)OC(C)(C)C 1801929756 DWBJLRRUFCWQCR-KYHPRHEASA-N 462.551 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1804857552 HTBFRFWSOPOYPG-PLNGDYQASA-N 464.613 0.936 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815671254 IENHHHRBHOXLSZ-KRWDZBQOSA-N 479.607 0.414 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)c1 1816674288 OYMYWYWXYSIPEE-ZDUSSCGKSA-N 475.494 0.989 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824899639 AOCVBCBLRNJLGZ-LJQANCHMSA-N 458.559 0.857 30 20 JCED Cc1ccn(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1828638339 VOCJDVZUMQPOBO-RUZDIDTESA-N 493.520 0.732 30 20 JCED CC(=O)NCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829311148 MMCLXSUJMCGQFN-HSZRJFAPSA-N 455.515 0.878 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCN2C(=O)OCc1ccccc1 1829360775 PLCLTHRYFAHROW-NRFANRHFSA-N 480.443 0.750 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)cnc3OC)CCO2)C1 1829582808 HFEOHBNJEAIZBN-YCRPNKLZSA-N 451.907 0.852 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628100 KUWOYXIQWPYLCE-QHCPKHFHSA-N 475.567 0.853 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829635602 MEZCDJKZXZJEMZ-QHCPKHFHSA-N 473.599 0.431 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NNc3ccccc3)C2)C1 1829762810 SFIREIFTASNYNZ-ORLYXUQQSA-N 471.558 0.306 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1829769167 MMMZVJMKCZJSIK-UUMVVRSSSA-N 483.525 0.207 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(F)ccc3F)C2)C1 1829773129 BRNFZDHZLIPYMZ-IYZQMXKPSA-N 463.481 0.822 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)c1ccc(O)cc1 1830049026 VPDVBZVWPFFDMY-CJFMBICVSA-N 486.569 0.617 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830300828 RNBYBCHQMNQHAN-NYHFZMIOSA-N 461.519 0.870 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2 1831136536 JBQNUGLUCNWIHH-HSZRJFAPSA-N 467.563 0.788 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832541981 BRVWXALRIGZIDB-HJPURHCSSA-N 475.567 0.838 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833396906 QWTIYPURRVSLBS-XLIONFOSSA-N 471.601 0.510 30 20 JCED Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833560334 DDPYSPCNJYKPKZ-HSZRJFAPSA-N 490.513 0.530 30 20 JCED CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)o1 1833902644 JYCVFILLLGEDDN-HSZRJFAPSA-N 460.531 0.509 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c(O)n1 1835393592 YPZJRFAMIRQPTO-XMMPIXPASA-N 474.558 0.308 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cnncc3C(=O)O)CC2)CC1 1835920418 LLYDDFOKTUQANL-IBGZPJMESA-N 459.547 0.933 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)cc1C#N 1836141813 UWNILJBUQWBRAV-QHCPKHFHSA-N 468.514 0.707 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c(C(F)(F)F)n1 1836321843 MBMTXCUCVRGMEN-SFHVURJKSA-N 486.476 0.669 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836871558 BFRPMLLCPLNHLJ-VJIOCRDPSA-N 472.502 0.328 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836888645 DWIZRLGBDPQIBU-DEOSSOPVSA-N 467.526 0.498 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837399380 SDQSJBZMRWKVHN-GAJHUEQPSA-N 462.547 0.568 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1837528273 DDDWNPZXWGXXQO-IWXLIXGASA-N 471.514 0.933 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1ccccc1 1837616281 BZQVZRIQHJUOCO-UEOMBKFZSA-N 455.555 0.363 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1838533084 IXYPWLIBURTFCD-DEOSSOPVSA-N 457.527 0.154 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1839209079 NHZNXMMCFYVCBC-YADARESESA-N 499.605 0.701 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1c3[nH]cnc3CCN1C(=O)OC(C)(C)C)CCO2 1839738694 DIXMBBQJVORKSG-CVDCTZTESA-N 473.530 0.334 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1)C(F)(F)F 1839894036 GBFBWTOITFMLAV-IBGZPJMESA-N 460.497 0.341 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840016558 JKOOBLHQGDQQBS-JKDBKWGBSA-N 467.522 0.391 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1840164287 FCKJIIWKFWLCCE-FVMGUFKOSA-N 469.604 0.874 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c1Cl 1840447538 OFOOYOMSMFOVSO-NRFANRHFSA-N 458.906 0.963 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1840763375 YRAYBFLCIXWOGL-NTKDMRAZSA-N 487.557 0.862 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1840840542 DNUWLFSXPJPXOE-PXDATVDWSA-N 453.539 0.905 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1840844312 OGZGNQCGSMAPJM-FYNLTWRRSA-N 461.559 0.969 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncoc3C)C2)C1 1840908828 IEWBUYICENABKO-UZUQRXQVSA-N 476.530 0.970 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840945879 KOTSWIAAUUIWAL-CKJXQJPGSA-N 454.499 0.704 30 20 JCED CC(C)(C)OC(=O)N1CCN(c2cnc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)cn2)CC1 1842207344 HGBUSXSXRXKYJL-UHFFFAOYSA-N 498.540 0.439 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]n2)C1 1843190451 IYRUCXGXAPONSF-AWEZNQCLSA-N 477.522 0.427 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845104169 YBZYBUNWUDGLJD-ZMJQMOPZSA-N 462.547 0.276 30 20 JCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1846372146 KZPJZYDSQUPYOY-KGLIPLIRSA-N 457.597 0.850 30 20 JCED Cn1cc(C#N)c(=O)n(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1=O 514520944 CHOPUPMKEMMZOF-UHFFFAOYSA-N 457.512 0.183 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CCN(C)CC1 517983812 YTAZQUCSEIFOIA-UHFFFAOYSA-N 485.566 0.740 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1 602252133 FHEJUBJCBZSUFO-IBGZPJMESA-N 466.450 0.017 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3S(=O)(=O)c3ccc(F)cc3)CC2)c1 603263909 ROXPVTRTWBHVGM-HKUYNNGSSA-N 459.503 0.565 30 20 JCED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 609437571 HGHUFEFIOFHZKZ-MRXNPFEDSA-N 481.600 0.741 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3c(C)nn(C)c3C)c2=O)cn1 726180432 JSMBGXYQUIRXSU-UHFFFAOYSA-N 453.572 0.741 30 20 JCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)CNC(=O)c3ccc(C#N)cc3)C2=O)cc1 727011769 AVCXGLWDNAHEFK-HSZRJFAPSA-N 479.449 0.338 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCS(C)(=O)=O 729674561 KASXCVHCLGJBIJ-UHFFFAOYSA-N 463.537 0.981 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCS(C)(=O)=O 729675231 VXGPGBGPAKPMDG-UHFFFAOYSA-N 485.534 0.585 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 748104318 AGQPPLXQMJUKQM-HEHNFIMWSA-N 473.577 0.283 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1 788280712 YQHIJTPKRLTWMS-MGPUTAFESA-N 454.549 0.865 30 20 JCED Cc1oc(NC(=O)COC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C#N)c1C 823671667 RTGZNHYJGWWXPJ-UHFFFAOYSA-N 462.484 0.930 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 838169591 XTVRWTZTDAACLD-UHFFFAOYSA-N 455.536 0.889 30 20 JCED C[C@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)Nc1sc2c(c1C#N)CCC2 856407736 AATLBFMCNRHKPX-JTQLQIEISA-N 456.484 0.426 30 20 JCED N#Cc1c(CCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)nn(-c2ccccc2)c1N 915778241 IBHXAVWTZDZPDL-UHFFFAOYSA-N 486.536 0.950 30 20 JCED C[C@@H](NC(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCCC1 918819308 PDKPRMFHPURZDN-OAHLLOKOSA-N 464.544 0.566 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc(C(C)C)n2)c1=O 1251156046 NESLFMFIVYYDRI-UHFFFAOYSA-N 475.640 0.851 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1286863807 VSRLRDHKTPOILK-ABSDTBQOSA-N 483.570 0.311 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1297958044 ZCGYOHZOTRKWDA-ZWKOTPCHSA-N 458.567 0.072 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCOCC2)CCCCC1 1611711573 QIFBMUVGWDEXNO-ROUUACIJSA-N 481.623 0.652 30 20 JCED N#Cc1cc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1C(F)(F)F 1661782123 RWEYQTXLIQCHJL-GJZGRUSLSA-N 453.464 0.353 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1710989434 LVCRNCMVRZLOSB-LJQANCHMSA-N 485.614 0.852 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1711418959 UJIUDLKKQCUCCU-SFHVURJKSA-N 456.532 0.677 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@H]1C 1712479094 QKZGDUFKICCWAZ-QGZVFWFLSA-N 461.592 0.865 30 20 JCED CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1728803898 LLHNHHMUNKQDND-PZJWPPBQSA-N 467.592 1.000 30 20 JCED CC[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1729246521 SLLABCZMWWXTKL-DRKIFQHWSA-N 480.616 0.888 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC(=O)N1C 1743316040 RNFMCRKKWKKCMV-INIZCTEOSA-N 453.503 0.254 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)CC1 1778113751 AOMQVMHTMMJGIT-XMMPIXPASA-N 488.610 0.992 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(C)(C)C 1779099892 OMEWDVWAWIVUMO-HFABFRBRSA-N 452.552 0.896 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4C=CCN4)CCO3)C2)CC1 1781170023 KLPVLZUUSCARME-MHECFPHRSA-N 473.574 0.885 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C2=NN(C)C(=O)CC2)CCO3)c(C#N)c1 1781173660 BJIJIWDDEOUMGJ-HSZRJFAPSA-N 453.499 0.547 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)c(C#N)c1 1781175152 ZRNLSPPIMQXMSV-DEOSSOPVSA-N 466.494 0.962 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1781295920 XPUIVKBMOLCZHA-JTSKRJEESA-N 462.551 0.968 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)ccc1Br 1781904899 UJJGKCBRQBWERD-HXUWFJFHSA-N 490.314 0.316 30 20 JCED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCOCCOCCOC)C2 1783172845 HXBGXQDZJXIQBI-NFBKMPQASA-N 454.564 0.610 30 20 JCED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1783677119 TULSCFBGAPSNMO-ZVZYQTTQSA-N 453.503 0.299 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3COc4ccccc4O3)[C@H]2C1 1785035955 DKXDFHUBBKVCLY-AWCBDZEVSA-N 455.511 0.665 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1785517414 IHLNFILXEMUFPO-HJPURHCSSA-N 478.546 0.967 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1785576111 HZQBJUCJSOHXAX-FDDCHVKYSA-N 459.547 0.938 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1785598491 SGJXECRBGFFNTA-URZJWIJPSA-N 485.603 0.720 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785669528 LBIFMAPGRHPNJG-VFNWGFHPSA-N 470.592 0.214 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788552110 BPBQMAMCMJLMEM-JKQORVJESA-N 463.535 0.311 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cc(=O)nc2cccnn12 1789200258 ZRORRYNMKFAGIR-JPMYMBFWSA-N 484.513 0.212 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1789913836 VEGJPEMVPZFLQL-HAGHYFMRSA-N 487.557 0.506 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789934614 YMGZZTHMQBLQKI-VJANTYMQSA-N 497.589 0.751 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21)C(F)(F)F 1790882647 SRJHFJULZBEFRT-AJNGGQMLSA-N 465.469 0.970 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791683285 VLUYTUHWSDHLSR-FPSMNIFISA-N 477.566 0.683 30 20 JCED CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1792184064 DJKVOZVKYFRAKE-GOBHGKEPSA-N 452.552 0.800 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)[C@H]2C1 1792222873 ABJJWIZYSRNNIF-NBOOPKSLSA-N 453.536 0.999 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC(N)=O)C[C@@H]21 1792257162 AEGJEKRZVPPTAA-JCECYMMASA-N 479.578 0.330 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]31)C2 1792276198 HYUSYTZVBOBSHF-DYKIIFRCSA-N 475.542 0.842 30 20 JCED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1793260150 CBGJZLRTDZSPMC-JJLQDPRZSA-N 454.268 0.631 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O 1793374212 AFXDTZCRRGCAAD-FPVWDGRHSA-N 499.630 0.726 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1)C(C)(C)S 1793419455 PZSUFTOQLOCXRN-AIEDFZFUSA-N 486.591 0.286 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795968894 VLHFOZPVJMADQW-UPHUGPLXSA-N 486.598 0.688 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(Br)c1 1798017289 KYWWGUNHCHHBOA-KQORHLAWSA-N 463.332 0.906 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1799349928 HVYXISGYQQWZPN-QEOTZNIISA-N 459.609 0.806 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1799395298 MZQWWQQBPUTMQD-RCFCFVIZSA-N 482.578 0.605 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C 1800825198 VUUMUERLIVQNPO-WXDNIAKHSA-N 495.617 0.910 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C2 1800994335 RZGDCTRVTHFCIF-AINOVGTFSA-N 490.601 0.751 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801002961 NZWONOKXJMHENW-QTSPYONBSA-N 483.562 0.661 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1802125592 JBHKJDNCKACQQR-HLPPOEQASA-N 476.490 0.438 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)nc3cccnn23)[C@H]1c1cccnc1 1802487319 HEWMNAJSZPYQHT-YQFKSVOFSA-N 487.520 0.663 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1811526504 UDJZQDVWASYTBI-SVFWZWDPSA-N 450.451 0.946 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1817179279 GGABHVVMMXBOEI-DGCLKSJQSA-N 466.516 0.683 30 20 JCED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1)[C@@H](O)N1CCOCC1 1819445929 GVCMDQKKBGCWJA-PGRDOPGGSA-N 459.547 0.751 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncnn3C)CCN2C(=O)OCc2ccccc2)C1 1828665621 SWDWOSCXRUBGKV-DFBJGRDBSA-N 494.552 0.919 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)CC1 1828921409 UIDAATVFLZDYIM-ZYLNGJIFSA-N 481.553 0.465 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1829334264 GTLCUFCAVKXJLV-NTKDMRAZSA-N 469.494 0.563 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCn1cncn1)CCN2C(=O)OCc1ccccc1 1829387352 MSRJDJWCHXWSJO-QHCPKHFHSA-N 450.499 0.754 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1829770556 YAMBXBQQPKWBQW-JJZOEDMDSA-N 484.509 0.036 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1829773632 OXBARTBAEIXNQV-AWWPTUBISA-N 458.515 0.164 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](CC)NC(C)=O)CCO3)c(O)n1 1829851838 XGOCVBQGECSGSX-HYBUGGRVSA-N 474.558 0.891 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)cc1 1829904350 PXIJDNFHWODKRC-DEOSSOPVSA-N 463.494 0.591 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829908535 HMIUZZRNHKHKJJ-XUZZJYLKSA-N 456.543 0.862 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1830026813 QYRCDPUCHLCDSE-HXOBKFHXSA-N 467.563 0.949 30 20 JCED CC1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1831104551 SBXMBKZXXRLMKG-VWLOTQADSA-N 461.603 0.873 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1831412462 PWHPHKQOBPCHMH-HSZRJFAPSA-N 457.531 0.711 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)CCO2 1832009755 TXUVONNWKYSXHT-PLOUGOBLSA-N 466.575 0.995 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832354212 RYHYLDKUZDDATL-IECBHUPTSA-N 461.559 0.272 30 20 JCED CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1832466139 BGIDTXYBQWDBEN-VJUOERLLSA-N 483.613 0.971 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833026253 LDGUPSWILHRNCW-UJQBESDUSA-N 499.524 0.161 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)cc1 1833305086 PWIDZNOLTCLJRE-XMMPIXPASA-N 463.494 0.365 30 20 JCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833427781 WOAKHVDTYWOXOU-KRWDZBQOSA-N 467.570 0.978 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1OCC1CC1)CCO2 1833624981 YEWASMPMXBLOFW-CNXHMKESSA-N 484.553 0.799 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833651046 IYSRELKNRCIGLA-JPYJTQIMSA-N 453.499 0.376 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncnn4C)C3)C2)c(O)n1 1833696568 JNPXHESOMGWFJZ-QFIPXVFZSA-N 456.503 0.418 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834664799 FOZKSGKPTURGPR-QGZVFWFLSA-N 450.542 0.237 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1834767735 QYEHJHVDUODWCJ-MZLICYQSSA-N 486.525 0.128 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)[C@H](O)C1 1835339428 MQABHHTXLREZQT-HOOSLVGPSA-N 492.573 0.364 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1835677100 INQYDOWQTAZSDN-XMMPIXPASA-N 472.542 0.810 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835677165 KDEGQEWIJXZILL-QHCPKHFHSA-N 473.530 0.220 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cnncc3C(=O)O)CC2)CC1 1835919827 XBFWTYQOSZJUQD-UHFFFAOYSA-N 471.562 0.642 30 20 JCED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n1 1836072617 JIYSRFUMMYSWNN-JOCHJYFZSA-N 465.470 0.439 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c(C(F)(F)F)n1 1836321824 LNOVBAASHNGEBE-FQEVSTJZSA-N 492.414 0.439 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836375941 VDMYKZYTTVHZGH-WOJBJXKFSA-N 464.655 0.995 30 20 JCED N#Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)ccc1F 1836409070 DNUFCYZCCHOVNX-NRFANRHFSA-N 472.565 0.404 30 20 JCED N#Cc1ccc(F)c(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c1 1836463849 SPPJCCYYMMSAKK-FQEVSTJZSA-N 458.538 0.475 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1836859162 RWXCHEGJZIYGHK-KRWDZBQOSA-N 471.558 0.667 30 20 JCED Nc1n[nH]c(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)n1 1837268718 NKHNRWPKRHJMTE-QFIPXVFZSA-N 472.933 0.481 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1837400230 AAUHTSGYAIXPAP-HXOBKFHXSA-N 491.497 0.967 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837440895 FQZKWGSULQSGTA-PWYGXMRTSA-N 460.535 0.417 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492790 TZWUXYHGTFEKEV-RXFWQSSRSA-N 498.580 0.355 30 20 JCED COc1nc(C)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531525 OUEATEBYCREHLO-XKUSAJHISA-N 476.530 0.998 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)c1ccccc1 1837732452 YLLVZHPGDZSPJU-PPJWLVRDSA-N 485.581 0.791 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837772198 PLTFVJOCJBENNS-JOCHJYFZSA-N 483.468 0.823 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1838100865 MSEOHPSIZJLVML-FQEVSTJZSA-N 485.647 0.984 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)c1 1838581582 BNBZPGVKTWOHPD-DHLKQENFSA-N 479.537 0.602 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838791684 HKFJFYCPAVPEJY-WZONZLPQSA-N 455.515 0.928 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)CCO2 1839075223 XRDQJCVWTDKEQE-SULQKFSGSA-N 494.589 0.557 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839106408 FYHWJLNRGWPPTP-NRFANRHFSA-N 452.621 0.142 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1839130794 UQBPLRUWQDFKTD-KHCICDEESA-N 480.606 0.734 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138922 MDODIMHKCPVKEQ-HOYKHHGWSA-N 499.605 0.557 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839188001 GEVOMTBLPZJHFX-PKTZIBPZSA-N 477.489 0.312 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1839224866 QRKUXBUOZMKMKN-OPAMFIHVSA-N 462.503 0.724 30 20 JCED COc1c(Br)cccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839286262 GSWZJYAGACJALH-HXUWFJFHSA-N 481.299 0.616 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(N5CCOCC5)c4)CCO3)C2)CC1 1839344375 BZOVLRZHNQBGDP-XMMPIXPASA-N 454.527 0.897 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839372606 KIJBBWJQUDEJEO-VGOFRKELSA-N 450.488 0.447 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839381344 OEBPVHGCZLNEBO-XMMPIXPASA-N 483.525 0.847 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839645929 VQWMXJSYZKPUSY-IRUWDQCASA-N 454.527 0.987 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)cc1 1839779896 SJJFWTVRSMPBHT-NFBKMPQASA-N 475.567 0.524 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)CO2)C1 1840008215 CBNSJHXWXDLVLR-KOSHJBKYSA-N 492.573 0.773 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840043774 UEVRTCPUIIMKOT-GAJHUEQPSA-N 479.530 0.178 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840364345 XNMLNHYIKFRNJL-HXOBKFHXSA-N 460.531 0.480 30 20 JCED C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840452564 VRPXVUYKAKZHKN-WZONZLPQSA-N 459.547 0.587 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)n1cnnn1 1840474573 XBXDASRQMVUTNK-HRAATJIYSA-N 458.906 0.396 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1840819153 SAHHCFITZYTEIO-BWKNWUBXSA-N 479.537 0.879 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840882780 NAQNXLJSSUXHQC-CYFREDJKSA-N 493.557 0.313 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OCC)C1 1844159103 JVZJSGVFYKNUBA-SJORKVTESA-N 480.562 0.951 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1845210379 JQJQXWXQGKBFBG-OAQYLSRUSA-N 488.585 0.348 30 20 JCED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)c1 1845874348 WRBJNURGFHIRPS-ZWKOTPCHSA-N 467.551 0.555 30 20 JCED CN[C@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C1)C(=O)O 1846301526 SPFPQWYYDNBSHS-UKRRQHHQSA-N 472.608 0.854 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(C(=O)O)ncn1)C2 1847071537 QNZRNJMGKVOQIA-CQSZACIVSA-N 457.487 0.908 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(C#N)cc1 1847309259 DELUWXWPMWXJHC-VXKWHMMOSA-N 459.543 0.999 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 106037770 XLYXJWMDDLZOSV-HZPDHXFCSA-N 489.602 0.649 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2cc(C)cc(C)c2)CC1 502046619 TUTBFKJKJKEXAW-UHFFFAOYSA-N 476.606 0.917 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(NC(C)=O)c1 502059623 XYUHBPMYZIZKJE-UHFFFAOYSA-N 494.577 0.637 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 514646312 ZXVFGRMYJXSKPV-UHFFFAOYSA-N 471.539 0.179 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 514908748 BCOVBFKTBHLZBP-UHFFFAOYSA-N 462.553 0.806 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCc1ccccn1 523578775 DGCPXMBUMYNMPC-UHFFFAOYSA-N 464.547 0.822 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CC(=O)N(C)C 604269856 GLEYIFKJXTUUDO-UHFFFAOYSA-N 456.568 0.387 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccs3)c2=O)cn1 608883766 FMYHWCJYAQDOEL-UHFFFAOYSA-N 454.533 0.726 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCN(CC)CC3)sc(=Cc3cnn(C)c3)c2=O)c1 726581242 PTNBSNMFOJHFQT-UHFFFAOYSA-N 472.574 0.281 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 729322173 BZQBQJGUFDNHIS-BJUXRVGASA-N 477.587 0.619 30 20 JCED C#CCN(C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 729331295 LWDKXXDCZNOWPX-OAHLLOKOSA-N 487.556 0.653 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 916789347 XFMDJTOOHQXAAP-CQSZACIVSA-N 481.556 0.082 30 20 JCED COCCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918265955 LUUGAYKWSZSKJO-NKFKGCMQSA-N 453.565 0.522 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCN(c2ncccn2)CC1 918623240 LBFXLFLNOFVRJD-IBGZPJMESA-N 485.614 0.868 30 20 JCED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)NCCNS(C)(=O)=O)n2ccc(=[N+](C)C)cc2)C=C1 1338378615 SWMCYXWEJKHYNM-UHFFFAOYSA-O 478.620 0.640 30 20 JCED CS[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555842657 WGOCGZSHHGQLAZ-HYVNUMGLSA-N 469.637 0.539 30 20 JCED N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CCCN2CCCO)cc1 1620352184 MVDZPOIWCFUVMC-MOPGFXCFSA-N 453.547 0.887 30 20 JCED N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)CC1 1620353363 KHEDRMXDWMCECP-OAHLLOKOSA-N 453.594 0.348 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1706048996 OQMVLKAQJCMEGE-AZUAARDMSA-N 472.571 0.983 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccn(C)n2)CCO1 1706055616 SNDZGQBCXHDMPL-FQEVSTJZSA-N 450.503 0.852 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(=O)N(C)C 1723954133 RSOUQQZNIANNDX-AWEZNQCLSA-N 478.554 0.314 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1741711056 LHBSAKXIZXYGGZ-UHFFFAOYSA-N 454.578 0.625 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(F)(F)F)C1 1750211694 RGCDLEWBENDDNE-KBPBESRZSA-N 463.486 0.350 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccnc1N1CCOCC1 1751199400 JQMPQJSRXVJBLW-CVEARBPZSA-N 462.580 0.907 30 20 JCED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1770748010 VJRQCBVFESTTOD-MRXNPFEDSA-N 459.532 0.221 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)cc(C(F)(F)F)c1 1779096524 KLGCBIRMKVWKJW-PZJWPPBQSA-N 482.459 0.671 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1)c1ccccc1 1779184421 INZPAKOZKUOJEE-CYFREDJKSA-N 452.511 0.565 30 20 JCED Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c(-n2nccn2)c1 1780120563 PSTYCBAABFIGGE-AUSIDOKSSA-N 451.483 0.791 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)c1 1780934699 XURLCZBEXGBYRJ-DEOSSOPVSA-N 495.561 0.915 30 20 JCED O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1781560695 ZGLISZGRJNBOTP-SZTYNRIPSA-N 485.497 0.983 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)Cc2ccccc2)C1 1781891304 MFWHLVARSIPIOE-ABCSIZMOSA-N 455.555 0.962 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257969 JWMRFHACQUFJIG-QFIPXVFZSA-N 453.656 0.154 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783601523 ZGFSFRKQXLFWCJ-SEPYTNNBSA-N 483.562 0.864 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1783769624 WOQYPKWSNZWNGM-VGOFRKELSA-N 452.552 0.812 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1784480456 IPYAOPBEODTOKI-HYFFOGBASA-N 460.535 0.586 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784539172 KTELODGFTFPMDD-MQNAVGNWSA-N 474.562 0.968 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1784785801 MVSMHFMMRWITJR-AVEIZBFRSA-N 481.594 0.028 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnn3C)[C@H]2C1 1785459273 GGRVVHBGKDOGSG-OVWQWFNUSA-N 462.551 0.878 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1785571485 BUJVMQGUGDTXCT-OYHNWAKOSA-N 459.503 0.542 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1785573136 RCRUBSQCPSPFKC-QMHKHESXSA-N 475.546 0.789 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1789904143 GGXDWICJQJZGGU-FKSLSLAPSA-N 495.621 0.418 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(NC(C)=O)c(O)c3)[C@H]2C1 1790303029 KEJBOCPRZJDSDS-DHHFMQQHSA-N 470.526 0.802 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(Cc3ccccn3)CC1)C2 1792484614 QOLAHEMPMYDSJG-GWKZBSJQSA-N 481.597 0.742 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1792887546 JCPVLYITOSAIBH-DMUMMCEESA-N 479.574 0.160 30 20 JCED CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)C(C)(C)C 1793198138 SNDVEIGQXMENDH-GZGBWJRFSA-N 452.552 0.656 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1793356087 VPRARPGGDNIKJF-UYTYNIKBSA-N 454.568 0.409 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1793358539 LIUNODPGHLCLRI-NYCLONFESA-N 457.487 0.473 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1797703939 IOCNJHBVMFMPJF-PTIUUAQKSA-N 479.574 0.728 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)C2 1797709856 NGPYNHCTAWSUIL-WXDNIAKHSA-N 495.617 0.910 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cn3c(nc2=O)SCC3)ccc1F 1799074991 RLGSLTOQTDFBSM-OPMZPASUSA-N 497.552 0.735 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C)C2 1799232273 YEVHJYGMARWFDT-DMUMMCEESA-N 450.580 0.834 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C(F)(F)F 1799353747 KTGPQFKGAAEQHY-XGUBFFRZSA-N 465.469 0.970 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1799390879 BJIYEPAUVKUGFV-UGNRZPKXSA-N 459.547 0.922 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)[C@@H](O)C1 1801979092 CNPCRONCWGNTIL-MTHXSQLBSA-N 476.574 0.888 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)cc1 1802575087 GRSOUIUIOYGKPI-CVDCTZTESA-N 460.494 0.754 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CN4CC(=O)NC4=O)[C@H]3c3cccnc3)c2c1 1804189863 FEIQXIOGRKKANW-OPAMFIHVSA-N 486.492 0.701 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809664449 JHMYYEKMNMNPTR-JZWVFAODSA-N 457.575 0.843 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1810356011 GXKPOLFFYOQJDL-SFINVIRBSA-N 495.540 0.870 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1812495518 XDSAGBBEIMDLEZ-QYZOEREBSA-N 461.588 0.946 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1812878031 STTJZAQBGIZFNG-VBKZILBWSA-N 453.411 0.801 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1814060625 VOCFHLKNOGUSJP-NJNPRVFISA-N 476.493 0.636 30 20 JCED C#CCCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1814109103 OHEJFGBPECRSFM-MOXWOTFGSA-N 483.594 0.681 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncn3nc(N4CCOCC4)ccc23)n[nH]1 1817712706 UDLYANIMBDPQOO-INIZCTEOSA-N 492.496 0.683 30 20 JCED COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1(O)CCCCC1)CC2 1820190392 CBFKOOGYDWMRMU-NVXWUHKLSA-N 462.572 0.905 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC1(O)CCCCC1)CC2)C(=O)C(=O)O 1824674614 SVXSCOREBUZPQY-ZDUSSCGKSA-N 462.528 0.297 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)O)C2)C1 1828494588 PLSNCFKGENKEGP-STISWTSRSA-N 484.553 0.678 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3C=CCN3)C2)C1 1829332547 RPLRINABMIYQTB-CYFREDJKSA-N 466.494 0.055 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1cncn1 1829334344 HUWBGEKMUILCQL-UUOWRZLLSA-N 494.508 0.379 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C3)C2)C1 1829670531 APZUCTIAYKBMIL-MBSDFSHPSA-N 467.563 0.685 30 20 JCED Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2ccc(C#N)cc2)CCO3)cn1 1829902378 OTRSHAYUHQOHOF-XMMPIXPASA-N 451.527 0.923 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)cc1 1829902680 YCKKWJQUEFLZRI-FQEVSTJZSA-N 451.426 0.667 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)ccc21 1830056795 UQACQNLAXKWRMT-HSZRJFAPSA-N 455.515 0.497 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468009 CMIOROZAUVWOPF-DENIHFKCSA-N 479.917 0.212 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1830569295 SUNQTVFQYRRWQI-KKSFZXQISA-N 473.592 0.248 30 20 JCED C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830744027 KASIPVABEXUFGU-KOSHJBKYSA-N 495.621 0.885 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1)NC(=O)OC(C)(C)C 1831280798 JFCLRRAUULXRIF-UZUQRXQVSA-N 482.578 0.438 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-c4ccc(O)nn4)cc3)C2)C1 1831399582 XRLYYXOTXYBNSI-CJAUYULYSA-N 480.521 0.958 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1831402597 LNEMDVJPOSHFRO-ZHRRBRCNSA-N 461.471 0.712 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)C2)C1 1831403182 YRSHQPHVESSSLV-AOMKIAJQSA-N 498.985 0.852 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1831434352 WTGACHSULFRHDR-IUKKYPGJSA-N 460.531 0.247 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)c1 1831463492 JRMLFPBLYZASDP-VGSWGCGISA-N 463.556 0.617 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1832111777 PIFYELLOQHSOCB-IERDGZPVSA-N 487.619 0.523 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1832800168 ABEAKLMRDLKNCR-QFIPXVFZSA-N 484.469 0.442 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C)CCO2 1833106923 MQPSZUQSAXZLGN-NTKDMRAZSA-N 472.542 0.607 30 20 JCED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1833490188 IRVCEZJQRYKZAN-FQEVSTJZSA-N 474.693 0.938 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(OC(F)F)cc1Cl)CCO2 1833563470 RPAIMGZUEOSPMG-LJQANCHMSA-N 473.816 0.494 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102329 LBNPVBBBFYVHDO-RDPSFJRHSA-N 473.526 0.338 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835145320 XVRORLNUQORCJG-AUSIDOKSSA-N 478.567 0.345 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 1835206208 JNHDBLOCAZBOLM-HTAPYJJXSA-N 484.550 0.268 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c([N+](=O)[O-])c1 1835361563 QNGWFGQTELDVIJ-OAQYLSRUSA-N 460.443 0.755 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)Nc3cnccn3)CC2)CC1 1835745783 IRVNMFKNXIXNAM-PYTPGESOSA-N 469.590 0.707 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c(C(F)(F)F)n1 1836208232 ZGOWRLZLSVXDEJ-IBGZPJMESA-N 479.419 0.334 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(I)c(CC)nn1C)CCO2 1836233470 VAVZVXQPICBMDU-SFHVURJKSA-N 486.310 0.290 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837256391 MIBKJDQTDHQYGH-IBLIISRWSA-N 468.510 0.228 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1837394841 KLUOIJUBZMWALU-HYBUGGRVSA-N 469.542 0.910 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446661 MBVYXUQEBJSYOC-FORKAKRTSA-N 481.594 0.828 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837532925 IDOXPBIYVMOFHY-BTCHJHNJSA-N 462.503 0.315 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837564537 WNLJTMXECAFIHD-YVABFXQFSA-N 452.471 0.511 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c1 1837797648 ZYLVEFCYUSZZRZ-HXUWFJFHSA-N 458.406 0.712 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C)CCO2)C1 1838220607 JDVCIVAIASFBJP-UUOWRZLLSA-N 487.557 0.772 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1838384723 JFKVETNCMRBMHK-QGZVFWFLSA-N 459.547 0.761 30 20 JCED CS(=O)(=O)CCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838404605 UDGFKYYLZJUNBV-BCIXFCFJSA-N 473.592 0.949 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc4cnccc34)CCO2)C1 1838462532 ZTLQYLFVYYQEMV-DEOSSOPVSA-N 466.542 0.982 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)c1 1838579634 VRNUXFXGVXSGTN-QFIPXVFZSA-N 453.455 0.446 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1 1838742612 JWTBMPQUMWYSSZ-DEOSSOPVSA-N 482.493 0.822 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1839175867 JDPUFDZYJDDHKS-UQBPGWFLSA-N 487.553 0.771 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1839176505 SJGDKFUSZMWEFE-QHCPKHFHSA-N 456.499 0.914 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186810 PBHAZECLAHNKOP-XMMPIXPASA-N 474.533 0.859 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)CC1 1839488980 KNZGLYMBNDAJKN-HSZRJFAPSA-N 481.509 0.848 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840018851 IPUXERMJAIDUMV-UOUMEPNKSA-N 461.559 0.969 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840018974 XGZYPVAQXYBAIW-CQLNOVPUSA-N 491.541 0.178 30 20 JCED C[C@H](CN)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110934 MFFMQONYZQNQJI-XCGNWRKASA-N 488.651 0.639 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)C3(O)CCC3)C2)C1 1840906906 LFGYIYXOKJAFQZ-JXQFQVJHSA-N 493.601 0.911 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259933 YMDYPOXSAQYYDC-ZZQPOVDQSA-N 451.568 0.937 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1847081348 WPJXPHCBTMHSDY-XCGNWRKASA-N 484.619 0.987 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 10351230 DQSPOIQYUABUAB-JLTOFOAXSA-N 452.533 0.770 30 20 JCED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)CC2)c1 27945179 KQFWLDWQLLPPPM-UHFFFAOYSA-N 475.527 0.282 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc3c2OCO3)c1=O 603986382 YWGCZBIWDYSOGQ-UHFFFAOYSA-N 452.536 0.492 30 20 JCED COCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 730725337 RZKLKYKOMHKCCW-GUYLDNPGSA-N 478.556 0.599 30 20 JCED CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 743434353 NJIQVIWMTRBGDY-WGCOJADFSA-N 463.560 0.813 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c1=O 747366341 YFMVCCLBXDYXSN-IRXDYDNUSA-N 455.515 0.796 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 856695112 ZICSGZYDYADIBJ-DOTOQJQBSA-N 485.584 0.850 30 20 JCED CC(C)NC(=O)[C@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 916945940 ZINSAACSEOARSG-MRXNPFEDSA-N 461.544 0.760 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1303867430 QBKDZOREUXZGOO-NVXWUHKLSA-N 461.548 0.276 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OC(F)F)cc2)C1 1316358451 YXDGWQANDLPCRL-DLBZAZTESA-N 498.512 0.989 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC[C@H]1C 1360237581 JGIROABAVMLRIF-GOSISDBHSA-N 467.578 0.730 30 20 JCED N#Cc1cccc([C@H](O)CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 1642207373 OAIWGGMRFGHPPC-OAQYLSRUSA-N 457.556 0.830 30 20 JCED C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N1CCOCC1 1692664673 XVFNXHMVACRVGU-MRXNPFEDSA-N 475.575 0.793 30 20 JCED CC1(C)CCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1692860725 OEQIDNPXNSPIBF-YSSFQJQWSA-N 470.571 0.994 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1761363060 KKAJMGCCBJDJRZ-QWHCGFSZSA-N 458.495 0.989 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1765634103 UHUJZSKPZCVXOD-UHFFFAOYSA-N 485.614 0.900 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1769380171 NKCAIJXSZLTMOO-OAHLLOKOSA-N 461.548 0.335 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1771112600 TXCWIRWOQGEKIF-ICSRJNTNSA-N 490.586 0.981 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779096552 KSFPJBOHPUFKEW-MFSJNOQSSA-N 496.605 0.326 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1779319955 SWYHQKPUHXXOJJ-GBXCKJPGSA-N 472.542 0.940 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](O)N3CCOCC3)C2)c1 1779410802 UBIAGSUHCUFUOI-IEZKXTBUSA-N 470.570 0.655 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1781148834 SJARTAMNPIQPHZ-MHECFPHRSA-N 478.590 0.991 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782015247 FKRUICAJVBQMDW-CJFMBICVSA-N 485.537 0.694 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(N)=O)C2 1782110816 ICSWCFXISJQBRY-XCGNWRKASA-N 467.567 0.638 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1Cc3nccnc3CN1C(=O)OC(C)(C)C)CCO2 1783053977 PQMIIBQFEHJBRQ-MBSDFSHPSA-N 455.515 0.602 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783141569 DEMBZYWAJDPCPF-YKSBVNFPSA-N 472.542 0.824 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@H]2C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1783454231 SWGLTCGDGIRHFV-SBUREZEXSA-N 489.573 0.493 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(C)c3C(F)(F)F)C[C@@H]21 1783529636 UUUSAYHUOXUWSA-UVWMWBFKSA-N 469.464 0.891 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCS(=O)(=O)CC4)[C@H]3C2)c(Cl)c1 1785037141 LCEDVBKGAOOAMX-QRFRQXIXSA-N 495.001 0.535 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(OC)n3)[C@H]2C1 1785226792 JRYQTJIXRPEHLN-HURQDBDKSA-N 456.543 0.861 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c(C#N)c1 1785545457 VNLYMMHMTUPHLW-JOCHJYFZSA-N 488.591 0.800 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4cccc(C#N)c4)C[C@@H]32)CC1 1788245020 YFCPHXBFVHTSMR-HJOGWXRNSA-N 481.597 0.635 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(=O)OCCO)C[C@@H]21 1789890761 MTTMIGREGRMUET-YYWHXJBOSA-N 488.537 0.938 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1789928492 PQOLQJJKIGLKOT-VJANTYMQSA-N 495.621 0.524 30 20 JCED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1790831762 HYWBMBDURCNYMJ-FPSMNIFISA-N 466.579 0.947 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C[C@@H]21)C(F)(F)F 1790885012 DGPDCGUPDSNFCU-LLLHUVSDSA-N 457.453 0.555 30 20 JCED COC1(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CN(C(=O)OC(C)(C)C)C1 1791077032 WNLNFOTUDSRAPT-ULQDDVLXSA-N 479.530 0.080 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccccc4C#N)[C@H]3C2)no1 1792147707 ZLWBPAZZRQIUKY-WFXMLNOXSA-N 481.509 0.643 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792279371 SWEAQDPLMKAXJZ-VJANTYMQSA-N 493.605 0.721 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN(C)C(C)=O)C2 1793593999 ZNARRKOHKAJLKY-DMUMMCEESA-N 466.579 0.914 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1793595999 WNMOLYKSUPAKEY-DMUMMCEESA-N 466.579 0.378 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1793602260 RKGGWSWLPJCNBT-YYIAUSFCSA-N 450.536 0.762 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(Cc2ccccn2)CC1 1794158363 UXJCNGZPJTURJO-DXKRWKNPSA-N 454.571 0.922 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O 1796316399 DUVFHZNFKCYHIW-ZHCJQAHYSA-N 467.567 0.492 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)ccc21 1796980780 VLVPTNIEZRBFFD-XEMDLRDOSA-N 468.558 0.362 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1797704235 MCLQMAMFEGIOQW-NBMJBFSESA-N 450.557 0.866 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C(F)F)c1=O 1797991059 ZCMDGGPHMHQCKT-IDZYNVOGSA-N 450.442 0.305 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncnc1C 1798200389 SNNSOGXMHJFWDP-NBMJBFSESA-N 457.531 0.905 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCOCCOC 1800848053 UUTVINQMZLKFCG-JHDGKUDLSA-N 472.579 0.255 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1800911405 NCGMWHSZUOSVEU-YYAJDYIMSA-N 451.520 0.446 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CSC)NC(=O)OC(C)(C)C 1801945016 JTDAJQFGIQCYCG-JCECYMMASA-N 469.604 0.871 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810094640 MSNNVFNBUTZJPQ-OJAGUHSTSA-N 460.535 0.624 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1810278349 DYWCEKVDFBWMLR-NMOXFYDXSA-N 455.519 0.111 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)Cc2ccc(F)c(C#N)c2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812392726 WAHWPFVGPWHYKF-VGSWGCGISA-N 481.484 0.884 30 20 JCED Cc1cn2c(=O)c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)C#CC(=O)O)CC4)cnc2s1 1818512944 RTUODJWGSOIFFC-JTQLQIEISA-N 457.493 0.835 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNC(N)=O)n[nH]1 1823542189 FCRYOAHWPLPMKE-DZGCQCFKSA-N 461.523 0.987 30 20 JCED NC(=O)[C@@H](N)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828990284 NBUYENVZKFVKFN-LVXARBLLSA-N 495.580 0.445 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)COCCO)C2)C1 1829465959 FVRRIUDESQJVGS-XMMPIXPASA-N 457.527 0.861 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829830624 KEUBLMPUPAAKAF-FYYLOGMGSA-N 455.467 0.720 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904266 MTIHSPBDZFZJIE-MBSDFSHPSA-N 452.515 0.485 30 20 JCED CC(C)(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830629768 NZAYDOJKJJRYGT-CVDCTZTESA-N 455.515 0.912 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC(=O)OC(C)(C)C)C2)C1 1831388796 XRGSNRGKPSXPJE-FDDCHVKYSA-N 452.548 0.993 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)cc3-n3nccn3)C2)C1 1831396550 FMEYZBPKIHSOKR-NTKDMRAZSA-N 467.526 0.684 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1831397684 VWQXXRXRFLQBSU-QATBIIFWSA-N 475.517 0.498 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1831427748 UVQDJJUVUFIDRM-IIBYNOLFSA-N 450.492 0.359 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)cc1 1833269066 FDRMQJGETUWTOX-XMMPIXPASA-N 450.495 0.894 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1833396169 GBJFJGZPVDVMCK-JOCHJYFZSA-N 481.571 0.538 30 20 JCED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)cc1 1833766692 SJTLRPPKCOSHFR-HXUWFJFHSA-N 466.542 0.536 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835208412 IPHSELXPLUKIDO-VGSWGCGISA-N 453.536 0.348 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)cc(C(F)(F)F)c1 1835565777 NZNGIIFUTHNJIP-UWJYYQICSA-N 497.474 0.240 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)cn1 1836380895 LODSDTUWDOVXHN-DEOSSOPVSA-N 498.561 0.882 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3Cc4ccccc4C3=O)CCO2)C1 1836594534 URYSUMXJSJAZEU-SANMLTNESA-N 499.564 0.998 30 20 JCED C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836771120 FUDPZOADWPSUCP-VWQFJMCTSA-N 493.557 0.566 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2ON=C(c4ccccc4)O2)CCO3)c1 1837297258 QWUBTSUNQXIXDG-GOTSBHOMSA-N 465.466 0.691 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837429999 FXXSYDYPTWOSSY-KNQAVFIVSA-N 483.638 0.558 30 20 JCED NC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccccc1 1837489781 UYRQQOBOSUJFQZ-BKMJKUGQSA-N 469.582 0.884 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1837529730 XNBYVJOSQGBKBX-CMPLLPGZSA-N 464.563 0.312 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1837771722 NMUMIUVLQDKQKZ-IBGZPJMESA-N 499.630 0.946 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)c(Br)n3)CCO2)C1 1838378031 YBRKGVKWXDZYBL-BTYIYWSLSA-N 496.358 0.961 30 20 JCED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(-n2nccn2)c1 1838630636 XNTUWNLMXBUORS-RUZDIDTESA-N 495.584 0.928 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1839212725 IHNQSFWLKLLZRJ-WMZHIEFXSA-N 459.930 0.769 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1839227114 JVPSWOZPCZPIHY-VSDWSMLSSA-N 474.514 0.978 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839452682 QJIBKSKJWFFMLG-QFIPXVFZSA-N 459.572 0.421 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839621944 BMEGPXHOKUVUEC-YKSBVNFPSA-N 475.590 0.362 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839628448 FNWKSZSTCMXMKX-QFIPXVFZSA-N 455.519 0.310 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)CCO3)C2)CCC1 1839727243 GJLZULSPFVNIJC-AOJNWGRGSA-N 482.581 0.772 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nc2ccc(Cl)cn12 1840044458 IZWUQCMPQZSCQS-NRFANRHFSA-N 460.874 0.454 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@H](C(=O)OC)C1)CCO2 1840147284 NZGLAFZJDNRJTK-IMWIBFENSA-N 480.558 0.932 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840356828 FGQWCZVUBKHOQG-JPYJTQIMSA-N 492.577 0.594 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840770560 DNBYQYFBMIAYFL-DEOSSOPVSA-N 466.494 0.736 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840801064 IEFYHWBRKCGPSB-JTSKRJEESA-N 453.536 0.396 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813160 IKTQQWHZQLUDSQ-QFIPXVFZSA-N 476.555 0.390 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)nn1C 1840818042 HBVAQCVGPHOARC-XMMPIXPASA-N 467.526 0.678 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)CCO2)C1 1840856597 UWMBDEMJDNZRIB-WSUBETFTSA-N 489.544 0.368 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840885205 RJJITJUIUAHCIT-ZZAWEDPDSA-N 452.552 0.504 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1840906575 FWGRPGAPNAAPFT-BXKMTCNYSA-N 489.525 0.835 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 10689745 VPSLYEYUQKMELC-FQEVSTJZSA-N 450.517 0.689 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 16558792 XQWSIHRUVAXUMA-GOSISDBHSA-N 482.580 0.713 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(S(N)(=O)=O)c3)CC2)cc1 25270492 SVBLBZDHBLMCAX-UHFFFAOYSA-N 462.553 0.923 30 20 JCED N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c1 517169434 CIYFBPYFXXDWEG-UHFFFAOYSA-N 453.480 0.524 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(Cl)c3)CC2)cc1 518073237 KXTZOSQQIOUYOL-UHFFFAOYSA-N 475.914 0.782 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc4c(c3)OCCO4)c2=O)cn1 523579764 GBHJSIWJGCULKS-UHFFFAOYSA-N 463.519 0.668 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(OC)nc1 524233668 PXMFXQAQAZSREM-UHFFFAOYSA-N 462.487 0.837 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(Cl)cccc2Cl)c1=O 604269913 IRGPUGSMUGUUDK-UHFFFAOYSA-N 495.388 0.667 30 20 JCED CCS(=O)(=O)N(C)CCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N/CCc1ccccn1 726115778 SBBHJAIEZMEKOX-UFIXSJTLSA-N 455.606 0.732 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c1=O 727425261 WCDDCLFBZWLSHL-MRXNPFEDSA-N 495.536 0.816 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCS(C)(=O)=O 729673080 DAJUDPHJZBXKHT-UHFFFAOYSA-N 495.648 0.332 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)COc3ccc(C)cc3)CC2)c1=O 748787767 MJOWDTPNBGFVOF-UHFFFAOYSA-N 455.515 0.033 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Br)s2)c1=O 838207359 DRDTZBMFWAPDGE-UHFFFAOYSA-N 484.397 0.742 30 20 JCED C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918259951 KHIOPQJNETYPSR-ACNSNUFOSA-N 451.549 0.275 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1287787269 MUKZEWLGSGGSME-BBTUJRGHSA-N 499.613 0.410 30 20 JCED COCC1(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1301117046 YYMYXUGRCQJTIP-IRXDYDNUSA-N 468.580 0.547 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1360602030 LJWTUYOWHCUDSB-IRXDYDNUSA-N 453.613 0.987 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCC2=O)CC1 1507869526 VRDXULMJYBEULY-MRXNPFEDSA-N 472.999 0.955 30 20 JCED CC(=O)N1CCC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CC1 1705969442 VOCMLYWBLGDGDB-HXUWFJFHSA-N 493.634 1.000 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4ccc(Br)cn34)C2)C1 1778759803 WETAZFSMQXXZBJ-LJQANCHMSA-N 461.272 0.628 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 1779901383 PILPULCIJSQTNJ-MWTRTKDXSA-N 473.530 0.845 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C4(N5CCN(C)CC5)CC4)C3)C2)c1 1781107963 LMQBPNGMCBIXLL-DEOSSOPVSA-N 467.570 0.790 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781396148 NXEZDADSGNHNOH-NFBKMPQASA-N 487.594 0.704 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)C(=O)C1 1783315087 VLCFODYGEPJVFJ-UZUQRXQVSA-N 477.562 0.493 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21 1783529728 XNHMICJWOJROOJ-XYOLNXMOSA-N 465.400 0.180 30 20 JCED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CCO2 1784201843 MQHLORNKDCUVOG-YZZKKUAISA-N 476.599 0.190 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785370618 ISRMYUSLISSZCR-HJPURHCSSA-N 478.546 0.967 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)C1 1786707654 NSKRPTDYAAZWIP-DOWNOZBLSA-N 450.536 0.642 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1 1788093027 OQUSMCLRFVNFHO-AFDCHOCNSA-N 475.586 0.997 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1788660616 AEPBYWRVWGMWMZ-IUDWQWOKSA-N 491.501 0.265 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C[C@@H]32)no1 1788668189 YLNWYEDPHSEBSA-ZJOUEHCJSA-N 465.510 0.807 30 20 JCED CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)[C@H]2C1 1791191929 HUZWJBDEHAABMA-YRBFXIGRSA-N 486.635 0.704 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](S)C(C)C 1793389492 VPFJGGZKZRFTMM-ZHCJQAHYSA-N 487.619 0.987 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(C)(=O)=O)cc1 1795414588 ASBWWOUUVVDXPP-LAVAIGHBSA-N 450.557 0.813 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c(C#N)c1 1795599518 PGGCGININWESIY-HATOLVCRSA-N 453.543 0.981 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1)NC(=O)OC(C)(C)C 1796358929 VGTKJUWUZFCDIK-NXEZDXNNSA-N 491.545 0.951 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2)[C@@H]1SC(=N)NC1=O 1796430113 ZWIAFPWQRAJYJJ-RPCVNMKUSA-N 455.540 0.758 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1797709831 DLPKBFMPGWHUIE-HPUSYDDDSA-N 488.585 0.785 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)C=C 1797949683 XKQBZEOJKYURIO-QLCXLMDBSA-N 462.547 0.183 30 20 JCED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)ccc2F)C3)cn2[nH]cnc(=O)c12 1798467265 HWWSKRJCZVJPEP-CCWDJLKJSA-N 464.457 0.859 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802087770 QYMCKGKVLQRTOB-CWQOZTLDSA-N 497.589 0.606 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1802126365 HHGJWPBGUDOELJ-NYUBLWNDSA-N 472.542 0.355 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1804092158 ZDRSAVORSJZAOI-GCJKJVERSA-N 467.526 0.338 30 20 JCED COc1ccc(CC(=O)N2CCC3(CCCN(C(=O)CN4C(=O)CNC4=O)C3)CC2)c(C#N)c1 1806590742 XRONYQLOLXQPNR-UHFFFAOYSA-N 467.526 0.892 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1811406416 MJUSRDSIQRKZKA-VGOFRKELSA-N 476.493 0.833 30 20 JCED C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[nH]n1 1815197455 QEGVNENMSKZAOT-MLGOLLRUSA-N 460.516 0.905 30 20 JCED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1)[C@@H](O)N1CCOCC1 1819446442 PWOVNXOWUPALOY-KZWGLNDSSA-N 464.523 0.581 30 20 JCED COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)c(C#N)c1 1819891453 QQSPETIEBKBPMD-ZHRRBRCNSA-N 485.566 0.829 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1820940581 JDBXLXJYZGAKHE-HUUCEWRRSA-N 463.491 0.766 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1824491459 SJERVAURKXZOMC-HKUYNNGSSA-N 498.584 0.092 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829714863 GWBCLHISGCUJEA-NRFANRHFSA-N 455.577 0.001 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830184238 JHCHKIAYHVUVFL-WMZHIEFXSA-N 480.583 0.733 30 20 JCED CC(C)(CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1830782340 VVNHPIPCEKXQOB-QFIPXVFZSA-N 467.519 0.224 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885800 LFQZTTDPZZPFKA-BXTJHSDWSA-N 461.581 0.037 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831037961 AUSIKSHQNZEBHP-HXOBKFHXSA-N 485.578 0.921 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C2)C1 1831388495 ZBXSYHRETZCKTO-HXOBKFHXSA-N 467.563 0.784 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831407195 RJVJFYMTVVHBRE-YADARESESA-N 499.605 0.965 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1831434864 HLPKXBNFKZYWIE-WAIKUNEKSA-N 456.499 0.997 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3COc4ccccc4O3)CCO2)C1 1832497582 POQRHFTZNGLRLJ-MZLICYQSSA-N 460.527 0.856 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cnc[nH]4)CCO3)C2)c1 1832813394 NGBSXSUVFCXNIV-HSZRJFAPSA-N 453.499 0.993 30 20 JCED Cc1ncc(Br)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833396547 IBNHRPZMEZDWNL-IBGZPJMESA-N 466.288 0.311 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c(O)n1 1833696175 UOWXNSCCNXMKDY-HSZRJFAPSA-N 474.514 0.428 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)OC)C3)C2)c(O)n1 1833696765 MYJHWORXRKKHFN-QHCPKHFHSA-N 461.515 0.929 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834311633 WBXIHGHAOOVEOU-FDDCHVKYSA-N 473.530 0.463 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3ccco3)CC2)CC1 1834715307 RIXBHCLYGFAWTQ-UHFFFAOYSA-N 472.590 0.863 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835142792 VPPXHIWHQJOAEF-QFIPXVFZSA-N 463.556 0.857 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCS(=O)(=O)c4ccccc4)CCO3)C2)c1 1835146337 PDCSKSIKLIWKBG-HSZRJFAPSA-N 486.550 0.820 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1)c1ccccc1 1835256249 DBGCRAUMACCFML-REWPJTCUSA-N 462.568 0.685 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835363979 HWODCTNJZOXUQC-OPAMFIHVSA-N 464.519 0.673 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)ccc21 1835364462 DRADVRQQOWODCY-UHFFFAOYSA-N 467.526 0.150 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNCC1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1835734072 ADVRBJHACXITIS-DEOSSOPVSA-N 478.590 0.313 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)o1 1836019320 MGPQTJCZOSHMGM-HSZRJFAPSA-N 453.499 0.881 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1)c1cccs1 1836520528 KSQALCZXWTUTMS-YEFOHOTDSA-N 459.528 0.625 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837379450 DATMBUDMVJVWMU-NYHFZMIOSA-N 477.949 0.989 30 20 JCED CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(C)C 1837491750 XKYJPNPTKHWWRF-URXFXBBRSA-N 464.559 0.729 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837529610 WKPWSYWLPSHETN-IVWHYVCYSA-N 472.502 0.328 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1837529840 ZQGBJTRLJRBTFZ-VHZQKOCRSA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1837531310 IOYGMTDWCNGYBX-XZCAYTCKSA-N 451.476 0.371 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837728378 YSTMMVPHJMXPPU-NFBKMPQASA-N 477.945 0.299 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)c1 1838578647 KRMVWOKROIWMLW-QHCPKHFHSA-N 474.583 0.686 30 20 JCED COc1ncccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838731885 CDUHARVMCHCAGS-HSZRJFAPSA-N 453.499 0.993 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)c1ccc(F)cc1 1838738762 ATBDQXKQIJBKPI-ZJSXRUAMSA-N 483.500 0.973 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838795906 SWTDPKUZCYGBGF-DEOSSOPVSA-N 483.525 0.847 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1839043949 BVIYWYMZAMGGEC-QHCPKHFHSA-N 492.598 0.331 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)N1CCN(C)CC1 1839103801 XLTGVTYQAQPNPN-UQBPGWFLSA-N 487.576 0.332 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4[nH]nnc4C)C3)C2)c(C#N)c1 1839131989 LRNWDIVFVARERK-JOCHJYFZSA-N 454.487 0.306 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4nc(C)no4)C3)C2)c(C#N)c1 1839132058 PMETXYFAOYWINI-QHCPKHFHSA-N 469.498 0.500 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)COCCO)CCO3)C2)cc(C(F)(F)F)c1 1839196089 GVWIKUUUGIOHBD-HXUWFJFHSA-N 471.432 0.656 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839204623 TVSPOJGAHIFQJE-DDKKJVIOSA-N 456.337 0.229 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c([N+](=O)[O-])c1 1839233329 AUDPUYDJARPANI-VLIAUNLRSA-N 453.517 0.921 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1839387809 WDPKUYLAYNMUDD-JPYJTQIMSA-N 474.514 0.471 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)c1 1839419383 YGUNFOGALWXDMU-JOCHJYFZSA-N 462.547 0.816 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)c1 1839422423 SGEWDMJHYQQQLG-HXUWFJFHSA-N 451.476 0.585 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn(C)c4=O)C3)C2)c1 1839451347 OCHDWQVKLJRCHD-DEOSSOPVSA-N 450.495 0.949 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c(Cl)c1 1839664829 IIRWLBZBPKZZES-JOCHJYFZSA-N 471.901 0.539 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)n1ccnn1 1839706878 BGTQYZCWFTWUAO-JLTOFOAXSA-N 493.446 0.895 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840039185 KHGLISDUGXBOOP-UZUQRXQVSA-N 479.530 0.178 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1)n1cnnn1 1840478920 GFPHSWZQGSINKD-XOBRGWDASA-N 493.446 0.895 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840497385 XJUSYHULRPHADY-XMMPIXPASA-N 457.527 0.485 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840568069 CTKHYMMQBWVGPN-NTKDMRAZSA-N 480.606 0.700 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1840909135 NFTVOTMFLVSFKU-KDLAUNOPSA-N 494.589 0.226 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843808580 OJKPQHCBBQTKAT-HJWRWDBZSA-N 461.482 0.246 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCc1nc(N)n[nH]1)C2 1847082307 OTXNOSOQUOFTLC-JLCFBVMHSA-N 459.551 0.992 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1=O 10851630 LFLUBEPOAAIBGF-UHFFFAOYSA-N 481.534 0.588 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C)c1C 502045279 PYSDGZMSTKDXMI-OAHLLOKOSA-N 451.552 0.904 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 503291421 MCVSOJAHAREWFS-UHFFFAOYSA-N 480.550 0.955 30 20 JCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 509791619 CADUQTFCDLYNBU-LBPRGKRZSA-N 476.520 0.891 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 516443068 MEIGEHOVJMHHAC-UHFFFAOYSA-N 475.914 0.782 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OCCCC#N)c2)c1=O 608855289 HIGUMMNJWQRSHW-UHFFFAOYSA-N 481.578 0.081 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 725768368 KKMXACOCPIZSRB-NRFANRHFSA-N 472.527 0.894 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)c1 726304520 AZWHOQKESPCMNT-PLRJNAJWSA-N 471.543 0.577 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C(C)(C)C)c3)c2=O)cn1 726961079 FMETWJJXSCSXSX-UHFFFAOYSA-N 494.577 0.616 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCS(C)(=O)=O 729673016 QWQWIKDBJSFBEQ-UHFFFAOYSA-N 471.963 0.775 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCCC[C@H]3C(N)=O)CC2)cc1 729971281 VMUPKCUEKQESCA-SFHVURJKSA-N 462.528 0.369 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CN(C)S(=O)(=O)c1cccnc1 744983019 YWSZLZGKFFBGDE-UHFFFAOYSA-N 499.505 0.625 30 20 JCED C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 821739274 GNDNURKXLAQLEN-SNVBAGLBSA-N 498.439 0.829 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 913328532 QCHNCAQDYWQHAF-HNNXBMFYSA-N 454.461 0.693 30 20 JCED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 915467321 GSLDQUMZGSBYQS-UHFFFAOYSA-N 495.286 0.504 30 20 JCED C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c1 918428774 OZQHPOOPDBRSHL-UHFFFAOYSA-N 452.492 0.634 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C[C@H]1CCCO1 920393938 BRLADGWNJKLZFD-OAHLLOKOSA-N 498.517 0.573 30 20 JCED C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N1CCS(=O)(=O)CC1 1136613150 JYHYMERQKQOREA-TZMCWYRMSA-N 452.920 0.326 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCSCC1 1303862886 LMIRBLTWOHVPMB-DOTOQJQBSA-N 468.653 0.114 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C(C)C)N1CCOCC1 1360240857 RPRREFUJDROOTR-UXHICEINSA-N 458.611 0.950 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)NC1CCCCC1 1360707502 FOUBLGUXXOSNGL-YJBOKZPZSA-N 478.623 0.514 30 20 JCED Cc1ccsc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1360923047 JLJWYEPHPLAUQO-HOTGVXAUSA-N 466.589 0.952 30 20 JCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1448587938 UJMZXXNFXYNGNN-UHFFFAOYSA-N 455.968 0.694 30 20 JCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1459807027 XRXCTSDNSVVPIM-IBGZPJMESA-N 458.544 0.809 30 20 JCED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)c(=O)n1C 1510892155 NRGCRGLZKSUVOC-LJQANCHMSA-N 489.602 0.797 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCCC2)n1CCNS(C)(=O)=O 1512369011 PVVUPHCAKBCJCC-HNNXBMFYSA-N 459.580 0.862 30 20 JCED CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1545991845 AVKCSXBTLKLCMP-KURKYZTESA-N 467.596 0.213 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(O)cc2)C1 1620170937 PENPWARCRZSRDZ-QFBILLFUSA-N 450.496 0.807 30 20 JCED CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1693911887 LKNJBYPNPKLKGR-DEOSSOPVSA-N 467.574 0.959 30 20 JCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)[C@H](C)C1 1705986979 ACJZXEXTNYJVCJ-MRXNPFEDSA-N 457.560 0.909 30 20 JCED Cc1cnn(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)c1 1724975001 QWSLNVCPJWILQS-GOSISDBHSA-N 462.580 0.946 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@]2(CCOC2)O1 1726725583 MUNXMCBSXKLTHS-IIBYNOLFSA-N 476.559 0.662 30 20 JCED CS(=O)(=O)c1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1750191950 XOBQAHADRWJNCK-IRXDYDNUSA-N 479.584 0.555 30 20 JCED Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)n(-c2cccc(=O)n2C)n1 1777716343 WHMLROGAEAZKMF-WZONZLPQSA-N 452.515 0.921 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2 1780802715 HNXPNJYGQZMIRF-WAOWUJCRSA-N 472.608 0.032 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1781165056 CAGDXFHBUMVOMW-XFAGBWLFSA-N 493.605 0.106 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1781692862 LQSCIKJKXNIUDG-WZONZLPQSA-N 452.515 0.327 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)N(C)C)C2 1783269309 SCQHGFBFSHAUDC-YGKZAACZSA-N 464.563 0.505 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C[C@@H]21 1784484312 UJEGUUIKEVVMEY-CEGNMAFCSA-N 493.601 0.622 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnn3C)[C@H]2C1 1785467902 LUZFNZBLOFOKKU-CUSZFKRNSA-N 460.535 0.325 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnncc4C(=O)O)[C@H]3C2)c(C#N)c1 1788889465 RSFXRTLLZBUOFT-JHVJFLLYSA-N 479.493 0.891 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789709120 MAQJGMFZDZTSQK-XIRDDKMYSA-N 464.613 0.790 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1789904183 HEPRKRULBCLWTN-BCYZHJNNSA-N 466.579 0.960 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790175082 GMMJXVUCMONGJA-YXISZKLHSA-N 455.552 0.382 30 20 JCED CC(=O)N(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790328544 AWXJZGMWMNOFLX-QRFRQXIXSA-N 452.515 0.896 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)[C@@H](O)C1 1792452046 NKOILIDMFVQCFU-PJVZLEMVSA-N 476.574 0.888 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)[C@@H](O)C1 1792629772 SSWNZJZPSZCJMF-MDMSPXHWSA-N 464.563 0.744 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793085062 VZWRWMFIAKVHHW-ADHGMGHFSA-N 469.579 0.425 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793263019 AKGYQHAVBUYLKQ-DMUMMCEESA-N 497.614 0.317 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2 1793343890 AHCMDBLWDYKECM-DODNOZFWSA-N 455.555 0.515 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCN1C(=O)c2ccccc2C1=O 1793866939 XUYQJDAOLRQUKL-BQCISNNHSA-N 494.548 0.511 30 20 JCED O=C1CN(c2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C/N=C/c3ccco3)C4)n2)CCCN1 1794506449 DNXIJOLFHXZGOP-GCMSJHEWSA-N 494.552 0.323 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C(=O)O)ncn2)C3)c(C(F)(F)F)n1 1795996786 GBQHEAAYAQFHEV-CULMDFNYSA-N 490.398 0.977 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1799301750 IVYUPVVYTRUMCQ-NHKMSHSESA-N 497.548 0.701 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1799304435 QZGHRBLGBGFRLY-IHEQNBGGSA-N 495.573 0.313 30 20 JCED O=C(CN(CCO)CCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1800580016 BLVLQVPHJQLRGL-UFOJEMMLSA-N 491.588 0.576 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2)c1ccc(O)cc1 1801055689 HKJRDINVTPKTIU-SUYVIKNLSA-N 456.543 0.072 30 20 JCED CN1N=C(C(=O)N2CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)CCC1=O 1807141487 BSCIVOXLGJKUOA-PXNSSMCTSA-N 453.547 0.977 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1807948939 KHLJXHIJFXODET-FOIQADDNSA-N 487.455 0.852 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)[C@@H]2c2cccnc2)c1 1811539837 YFJCNBDVKXWWOX-OXQOHEQNSA-N 458.482 0.855 30 20 JCED COCCOCCOCCOCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822202280 NESHSWISWOWPPO-SFHVURJKSA-N 480.518 0.576 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827401810 OYSCRTSHPIZBBU-DLBZAZTESA-N 457.535 0.619 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240725 ZXDHILSRJUXBLD-QWRGUYRKSA-N 452.583 0.954 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828972598 VAANEWZCLYHUSQ-SIKLNZKXSA-N 451.564 0.766 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=N)N)CCN2C(=O)OCc1ccccc1 1828973834 JWKDJCXMBYDMKF-QHCPKHFHSA-N 454.531 0.335 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCN2C(=O)OCc1ccccc1 1828981920 ZZFCYTNFDXOJBC-HSZRJFAPSA-N 467.530 0.192 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(O)n[nH]3)C2)C1 1829332757 XHNXSZUSMSRKBG-HSZRJFAPSA-N 481.465 0.269 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC[C@@H]5CCC(=O)N5C4)C3)C2)cc1 1829906026 QQZAQWXTZIAZFR-VVZHRXSXSA-N 480.565 0.958 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]3C[C@H]3N1C(=O)OC(C)(C)C)CCO2 1830748434 NDUMCWJFQAKLRU-DBECHEOZSA-N 491.585 0.879 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)[C@@H](F)C1 1831135656 IJGZWQPUXVLVAJ-DGGJZMOXSA-N 497.520 0.126 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831486288 AUWAYGQJBKKLLP-JKSBSHDWSA-N 489.635 0.937 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831490087 WSTCEHJICKEPGL-QFIPXVFZSA-N 472.586 0.843 30 20 JCED O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccc[nH]1 1832879091 PZROHOMDZYNAFJ-XQQQEEOESA-N 474.562 0.063 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1833468525 UEIXTSPEGFLIEP-KKSFZXQISA-N 465.547 0.091 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565251 BHYKHPFWEPVEKI-HTAPYJJXSA-N 465.572 0.908 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CN4CC(=O)NC4=O)CC3)CC2)c1 1833712047 YWXPDQOFYVWOTI-UHFFFAOYSA-N 482.541 0.304 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3cccc(Br)c3)C2)C1 1834765812 LAIRPQRJOUXACK-IEBWSBKVSA-N 452.305 0.853 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836450746 DBICJHPZNYAJFK-DEOSSOPVSA-N 476.493 0.979 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)c1 1836676053 UCTZXVMAJLTEKM-XMMPIXPASA-N 455.559 0.184 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3[nH]1)CCO2 1837003181 TZMZQCAZVWCBNP-IYZQMXKPSA-N 453.499 0.491 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2)NCc1ccccc1 1837440670 SUOHGJWTUKTWTQ-HRQIGODFSA-N 497.596 0.787 30 20 JCED COc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488568 KOABHKCUEIAVAH-XMMPIXPASA-N 457.527 0.859 30 20 JCED N=C(N)SCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489772 UQLAPRASIFXACO-NRFANRHFSA-N 452.577 0.158 30 20 JCED O=C1Cc2cccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)c2N1 1837492157 BPPRNLZDNOQJIX-AREMUKBSSA-N 481.549 0.950 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837496642 NDUXFIPQIIQOLH-GBXCKJPGSA-N 463.575 0.446 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1837531035 BDHWMFCGMDHILJ-XGVOGHQPSA-N 450.467 0.820 30 20 JCED O=C(NCC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1ccco1 1837562782 PKTYSRYHGTVFPL-NYNQOQISSA-N 458.471 0.178 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1837567293 CBFACDLAKDAUDZ-RSXROQDNSA-N 455.515 0.683 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837646746 BRBQUEXKCPKYGO-MBSDFSHPSA-N 452.515 0.750 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837737500 ZQYZCZVTIXLEDX-DENIHFKCSA-N 478.933 0.433 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869564 YVFZWRVJPXINFC-HXUWFJFHSA-N 465.595 0.418 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)c1 1838581916 WBDZQQIIFHWHTC-DEOSSOPVSA-N 482.493 0.660 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)cc3-n3nccn3)CCO2)C1 1838629481 MFENVZJKAAEKLD-CYFREDJKSA-N 467.526 0.684 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)n1 1838951194 CTGOHISDORDSOO-RUZDIDTESA-N 479.537 0.929 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)c(C#N)c1 1839132933 WEZSOIMLIAULKK-WAIKUNEKSA-N 458.515 0.090 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1839175134 QSIWTIIFNIQJSQ-DEOSSOPVSA-N 490.557 0.253 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839210193 HIJPSNFYDQOTRM-UZUQRXQVSA-N 491.545 0.232 30 20 JCED CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2 1839443171 ZECKCYLIJJPZMC-FQEVSTJZSA-N 468.432 0.783 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839570239 CBMNWWDKVJAKMT-RWOVVYLESA-N 454.531 0.876 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c3c(nn1C)CN(C(=O)OC(C)(C)C)C3)CCO2 1839620809 RGAWZJVWHCIRFO-QHCPKHFHSA-N 473.530 0.374 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(n4ccnc4)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839810293 PCXUKKRXGSFURN-BJKOFHAPSA-N 487.557 0.309 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOCCOC)C2)C1 1839844012 BCMNYCJKMCEFJI-XUZZJYLKSA-N 486.606 0.741 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1839874350 CGTUUZGWBFAPPA-HOOSLVGPSA-N 494.589 0.438 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840218460 HJOANQRCMZYSBI-PUZWTLIVSA-N 497.589 0.406 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1)c1ccc(O)cc1 1840219423 NJHIRXOHOOYPFW-ISJBWFOZSA-N 483.565 0.872 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1 1840278703 YAOWXDWYVKFODJ-IPACTHBOSA-N 486.569 0.944 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840909103 MYGMZAZNMMBKFS-HOYKHHGWSA-N 485.541 0.873 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1840959402 MHWOYIJZCAITLC-NTKDMRAZSA-N 479.574 0.882 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1842240659 JWLCZRIWDHSXIA-AOOMUMSASA-N 464.544 0.972 30 20 JCED CC(C)(C)OC(=O)N1CCCn2nc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)cc2C1 1843129176 IWUXUUPTTWFOCA-UHFFFAOYSA-N 471.514 0.929 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCCOCC 480213503 CSYCXPYRZFNUBU-UHFFFAOYSA-N 455.536 0.913 30 20 JCED CCc1ccc(-n2c(=C(C#N)C(=O)NC[C@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)cc1 502058926 UIIGQMRDDBCICQ-LJQANCHMSA-N 463.563 0.993 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc3c2OCO3)c1=O 523080206 XJVJWYCVSBNLBB-UHFFFAOYSA-N 459.524 0.331 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1=O 588784268 GWVCUFIRQRBGEG-UHFFFAOYSA-N 459.547 0.185 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c1=O 590897475 VZSWOIIMIGCIFR-AWEZNQCLSA-N 455.536 0.693 30 20 JCED N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 771193186 XQRGHRDJSLTAAG-RDJZCZTQSA-N 468.919 0.663 30 20 JCED C#CCNC(=O)[C@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 857750153 SUZVSRVJQBOCCQ-WFASDCNBSA-N 464.949 0.103 30 20 JCED COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 914683579 HBMHBHGKPVYGQX-UHFFFAOYSA-N 471.470 0.494 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)o1 915376057 HINIBDQGYYJKMR-INIZCTEOSA-N 495.492 0.871 30 20 JCED C#Cc1cccc(NC(=O)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)c1 918342171 CNNZPXMCPQJMMS-IBGZPJMESA-N 471.535 0.965 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)c1 927573274 OJGOTMRRAWNQMC-WBVHZDCISA-N 470.569 0.569 30 20 JCED CC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1291378034 ZNUKGFHLZHPSDX-ZHRRBRCNSA-N 453.551 0.938 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1COCCO1 1303854445 UMRKHXHKOHQWOT-IEBWSBKVSA-N 489.602 0.892 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1303867431 QBKDZOREUXZGOO-RDJZCZTQSA-N 461.548 0.276 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1CCS(=O)(=O)CC1 1360237588 JKWUVOLHZYJTEE-UHFFFAOYSA-N 486.602 0.834 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C)CN1CCOCC1 1360602031 LJWTUYOWHCUDSB-SJORKVTESA-N 453.613 0.987 30 20 JCED CCN(CC)CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 1446308170 IKFWABPZCUGORX-LJQANCHMSA-N 455.602 0.831 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCSCC2)C1 1510292391 ONDPFYUPYFTUKU-XLIONFOSSA-N 483.664 0.790 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC(=O)N1C 1512500190 OUIQEQWDIUWSSL-INIZCTEOSA-N 467.530 0.678 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CC1 1515995045 WNCZUZMBFFQAJA-YTTGMZPUSA-N 455.588 0.986 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CCO1 1596634205 QEAYOXDXKKIXMD-LAUBAEHRSA-N 453.547 0.879 30 20 JCED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)s1 1612080830 WFEBMETZXQLDTI-ZBFHGGJFSA-N 452.562 0.758 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1706747674 OZEHFICTABBRAU-HOTGVXAUSA-N 457.626 0.398 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCCCCC2)C1 1770350558 NLPGHBYZHNJRBW-MSOLQXFVSA-N 495.606 0.132 30 20 JCED Cn1c(=O)c(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nc2ccccc21 1777888302 CIEUOIXSXNOVPD-DEOSSOPVSA-N 466.542 0.659 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(c2)SCC(=O)N3)C1 1777962293 RBSGVQDEROFEHV-VGOFRKELSA-N 457.508 0.946 30 20 JCED Cc1cc2nnc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC5(O)CCCCC5)C4)C3)c(C)n2n1 1779062815 KOCBLMFNDCLQCI-DEOSSOPVSA-N 466.542 0.883 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C3)c(C#N)c1 1780686582 LDQBHNQHHOVFIK-YOSAUDMPSA-N 471.558 0.216 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1780735116 IJCIMNWERMGFPR-HOOSLVGPSA-N 497.589 0.895 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1780762756 LLUYPJIYYCSJSF-UWHHFBIGSA-N 487.601 0.657 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(C#N)ccc3F)C2)CC1 1781103731 LNXZBMCNBUBFQY-RCZVLFRGSA-N 485.560 0.989 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c(Cl)c1 1781105067 FUDJRRPCEVTJDZ-DRSNIGMVSA-N 473.917 0.937 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)NC=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1781254200 FPLGERJJHYHEKG-PNLZDCPESA-N 450.536 0.516 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300598 AIGKGKMDQXMRSN-REWPJTCUSA-N 475.473 0.565 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1781696204 MFCKNDOLCZNLDC-YGKZAACZSA-N 479.578 0.475 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786379 CTPCRRXLKWROLC-FFCJBUTOSA-N 457.443 0.299 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)n1cnnn1)C2 1783268687 FJDGAPLDYGXWOX-OIMFZILRSA-N 489.577 0.665 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1783584017 VGLFBTVRDSMICZ-ILNCAHHFSA-N 491.585 0.613 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CS(C)(=O)=O)nc3)[C@H]2C1 1787248864 QOEMZNMGCMURIP-OTWYLLFQSA-N 490.582 0.078 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)C2 1792484474 INPKXEAKVAAYNX-WGBUWIMHSA-N 476.574 0.904 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1797739688 ABEVTBMJKHUDPK-ZGABJMRQSA-N 495.580 0.663 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(-c2ccncn2)noc1C 1798488326 VHXIOVXZWCBJIV-NVSIEKKMSA-N 466.498 0.502 30 20 JCED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)[C@H]1SC(=N)NC1=O 1798495725 RTWXJLDQODPDOT-PUMOMMDRSA-N 451.549 0.956 30 20 JCED COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)cc(OC)c2)n1 1798577061 TYXWWBFTAGLFDG-RMFSNUHRSA-N 453.499 0.927 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799062736 JIJZMWPOTIOBSB-CWPLJXCYSA-N 472.567 0.234 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC=O 1799287739 PMDZEBXMJRMMPV-JCECYMMASA-N 452.552 0.570 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccncc2=O)ccc1Br 1800199892 PRJJADRJDKURMJ-CWPLJXCYSA-N 486.326 0.781 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccnn1 1800271401 OLWUQIQIWAYWTB-FPVWDGRHSA-N 474.562 0.898 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2)C(C)(C)S 1800908011 TZSJUOVSIONIQI-OCVGTWLNSA-N 493.648 0.222 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1807146350 XNSDNPGCEKTYRI-CTNGQTDRSA-N 490.630 0.795 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807148300 XEMNQZDPNBBEQY-FGTMMUONSA-N 460.535 0.434 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1812876403 KNOIOQPXPNZSPB-WZONZLPQSA-N 469.519 0.958 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1817056331 AOAWFAZNZWRVCB-JSGCOSHPSA-N 478.527 0.779 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCN2C(=O)OCc1ccccc1 1828981922 ZZFCYTNFDXOJBC-QHCPKHFHSA-N 467.530 0.192 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@]2(CN(C(=O)COCCO)CCN2C(=O)OCc2ccccc2)C1 1829224038 XXRFZUSGBUXXLI-DEOSSOPVSA-N 472.542 0.997 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cccc(=O)n3O)C2)C1 1829261865 GLDNSCPOUBEEMH-DEOSSOPVSA-N 464.478 0.785 30 20 JCED Cn1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)cn1 1829332724 WBRVJSTVVTYPDY-XMMPIXPASA-N 479.493 0.574 30 20 JCED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)c(=O)[nH]c1C 1829629959 KPEZMBFTXZEQBI-RUZDIDTESA-N 479.537 0.961 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCSCC4)CCO3)C2)cc1 1829714915 IVJJUFXSCGGHSO-QHCPKHFHSA-N 458.584 0.871 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1829766320 RFAOYTBYGYKDRX-XLQQFJOYSA-N 471.510 0.386 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830885893 MYPSPKQLCURHGJ-KDLAUNOPSA-N 495.573 0.612 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c([N+](=O)[O-])cc1O 1831218384 QNWSMCYJKPDKBB-JOCHJYFZSA-N 459.455 0.792 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1831418296 BIQDDQHOJCLOJE-IQGLISFBSA-N 485.537 0.720 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1831434214 UBYZSVZDHPJMNP-FVJVTNMWSA-N 497.589 0.404 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1831997638 DRWHOYJYWDRVST-VVBPWWLESA-N 482.534 0.021 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnccc1C(F)(F)F)CCO2 1832749124 NYXJYOIOEMGHNY-HXUWFJFHSA-N 469.416 0.577 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1833467715 WDBODKINRGLFOG-HXUWFJFHSA-N 459.635 0.376 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(N5CCOCC5)cn4)CCO3)C2)c1 1833614335 ARDLXIVJFPYFAN-DEOSSOPVSA-N 480.525 0.502 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)[C@H](O)C1 1835339430 MQABHHTXLREZQT-RHGYRFJNSA-N 492.573 0.364 30 20 JCED CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835887604 GXRAZHDVBCLJPW-HSZRJFAPSA-N 454.531 0.893 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cccn2)CCO3)c(C#N)c1 1836172364 PYURQXYZYYIUQO-QHCPKHFHSA-N 453.499 0.462 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CC)[nH]n3)CCO2)C1 1836282026 NYZMUXMUXCFJGB-HOYKHHGWSA-N 489.573 0.959 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1837393316 OXVIYVUWXHBDID-MBSDFSHPSA-N 451.564 0.419 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1837400383 DKWXKHVEIVKOHY-AUSIDOKSSA-N 493.513 0.952 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1837401204 VKNGACSKEWLHML-PGRDOPGGSA-N 463.487 0.944 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837445368 VIFAGTKLAPZWSA-SKZKPWFZSA-N 469.546 0.200 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531045 WIQABHCIFFNZAK-CYSJGKSUSA-N 463.535 0.554 30 20 JCED O=C1CSc2ncc(C(=O)N3CCOC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cc2N1 1837565236 OYBJNJDJDLMHLO-RVEDOPBZSA-N 499.549 0.908 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n[nH]1 1837590544 MWNUHYUYZQSTGC-QHCPKHFHSA-N 463.498 0.779 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cc(Cl)ccn3)CCO2)C1 1837652248 RBLNYTHFOLVENK-JOCHJYFZSA-N 479.965 0.852 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838392765 IQJPCTGXTMVJPF-MPPWSMNASA-N 465.595 0.107 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]cnc3-c3cccnc3)CCO2)C1 1838495756 CROIDTQNNZCJTM-DEOSSOPVSA-N 481.557 0.824 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)NC(=O)OC(C)(C)C 1839080841 MBDWNYHCZNZXDM-LYXWCMDISA-N 496.605 0.025 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)N2CCN(C)CC2)CCO3)c(C#N)c1 1839103652 UFAWPTVLHZKYNQ-RXFWQSSRSA-N 499.612 0.202 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1839130882 ZFJABEJTQXXJOV-UZUQRXQVSA-N 490.561 0.572 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839132410 FVZIKLKNGYYJKV-HSZRJFAPSA-N 489.598 0.050 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)OC)C2)C1 1839176309 HDWMPYCYPFECGP-KHCICDEESA-N 478.542 0.708 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839387722 SCMDQEFQVDNFJT-NTKDMRAZSA-N 488.541 0.666 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1OCC1CC1 1839397839 MUQSBSMFAHBRAN-DEOSSOPVSA-N 472.494 0.642 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1839420924 NBZUUFIIAFSCEK-XMMPIXPASA-N 496.499 0.411 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839645313 HDMJISHWDUILLU-FTCDTSOASA-N 454.527 0.987 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1Cl 1839670285 ZZFFZTCMOQTPQW-JOCHJYFZSA-N 487.900 0.856 30 20 JCED C[C@H]1[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCN1C(=O)OC(C)(C)C 1840045029 MWVPLIMZAUVTDT-HKARXFIJSA-N 479.530 0.176 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1840165792 KKCIEZTWGXCNNV-NYHFZMIOSA-N 459.524 0.504 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1)c1ccc(O)cc1 1840222433 OSZAKCCFQJCYBM-MFSJNOQSSA-N 457.527 0.480 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840802536 RDHRGSJJAUZQMC-QFIPXVFZSA-N 461.519 0.871 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840851686 QFHHOMAZDQCENN-URXFXBBRSA-N 456.543 0.862 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C1 1841232429 QFASBQYXLKHNRR-AQBTUVFDSA-N 469.604 0.890 30 20 JCED O=C([C@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844299577 DZKIIHZNXJUSDV-DSAVQBFFSA-N 459.503 0.725 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@@H](NC)C(=O)O)C2 1845130671 TYKDGOVBPFAAMV-DLBZAZTESA-N 464.563 0.949 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)O)C1 1846171558 LOWXZNAGWHLPAR-LSDHHAIUSA-N 454.524 0.376 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)=NO2)C1 1846196975 HRQLFTZGTSMQSJ-JOCHJYFZSA-N 460.487 0.434 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3sccc3C)c2=O)cn1 523179597 YHBYIMUZULKNBS-UHFFFAOYSA-N 455.565 0.847 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc1OC 589157122 KRCWBRORRRSKNC-UHFFFAOYSA-N 473.551 0.929 30 20 JCED COCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 603919340 CEMWCVHJRLUVER-UHFFFAOYSA-N 480.568 0.733 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 604270000 MDWKMCBWZVCABF-UHFFFAOYSA-N 469.523 0.468 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O 608911254 VZIIEWSATAKHFF-UHFFFAOYSA-N 452.414 0.099 30 20 JCED COCCCn1cc(C(=O)c2cc(OC)ccc2OCc2cc(=O)n(C)c(=O)n2C)cc(C#N)c1=O 643821758 BRPCCHFRACTDDC-UHFFFAOYSA-N 494.504 0.972 30 20 JCED CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 729398511 FVCOVUIPMZAMCH-UHFFFAOYSA-N 465.576 0.736 30 20 JCED Cn1[nH]c(Br)c2c(=NCCNC(=O)NCCNc3ccc(C#N)cn3)ncnc1-2 729592969 PVZPZOMJEJUERA-UHFFFAOYSA-N 459.312 0.589 30 20 JCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@@H](C)N1CCOCC1 729885339 ZUIRIRPVVSPLRN-HOIOSORBSA-N 465.576 0.663 30 20 JCED N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 731237450 IBSPQESBSTXZOR-LLVKDONJSA-N 460.306 0.703 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)O)c2)cc1 746374633 GXYWTPUUGORDCH-UHFFFAOYSA-N 451.482 0.213 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 769250442 DARCQUSBAXRAPB-UHFFFAOYSA-N 474.495 0.236 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 915605959 VCDHYYHJQPMYLY-UHFFFAOYSA-N 454.552 0.916 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)c1 918265423 IKZKBCMYHOTFTR-CJLVFECKSA-N 487.604 0.272 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 920614819 ROPUWICUEOYMCX-MRXNPFEDSA-N 452.533 0.390 30 20 JCED Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 920906698 DIMBNGWKGVLTCK-UHFFFAOYSA-N 490.498 0.438 30 20 JCED C=CCCO[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 921217417 MGADBRNPJQTDAK-MRXNPFEDSA-N 468.528 0.815 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C 1316125506 LIEFIHTUWNHSQR-SFHVURJKSA-N 488.614 0.913 30 20 JCED Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)cnn1C 1360976967 ZVOZLINMDPQFAE-UHFFFAOYSA-N 470.559 0.901 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CC1 1503826845 WILQIIPLZCYEEV-UHFFFAOYSA-N 454.535 0.962 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)N(C)C 1510208697 MNNJSTLJJHWHNQ-KRWDZBQOSA-N 488.618 0.560 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cnn(C)c2)CC1 1593887167 XHSBCRVKBYYRLM-INIZCTEOSA-N 470.987 0.424 30 20 JCED CCOC1CC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)(N2CCOCC2)C1 1696186069 UKRWJXZWJSCHHY-HDUNJHBGSA-N 499.613 0.600 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1696592769 TWAXOMDIDFYHEW-UHFFFAOYSA-N 481.557 0.892 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1706048998 OQMVLKAQJCMEGE-QUCCMNQESA-N 472.571 0.983 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1771370104 YINJCWKNTAFIMC-UHFFFAOYSA-N 476.559 0.664 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779947056 FKSFBOIHUBGGSW-QKKBWIMNSA-N 491.595 0.426 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780190092 ITPXMGUEQSXKNK-OXJNMPFZSA-N 450.879 0.720 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1780806432 AOFKLIRNPQYEMV-HBUWYVDXSA-N 450.458 0.980 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1781161394 ITUUMHIAMVJQQC-GAJHUEQPSA-N 474.562 0.955 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781172859 GUJLKNHVNHTXBT-SIKLNZKXSA-N 460.487 0.004 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)c(C#N)c1 1781175154 ZRNLSPPIMQXMSV-XMMPIXPASA-N 466.494 0.962 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1781356583 ZZNDSKKNJDDCGR-KSFYIVLOSA-N 450.536 0.786 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781961208 HILGMBWRZMVKDV-VBKZILBWSA-N 452.508 0.469 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781965575 LFAHOWKTSOUUFE-VGSWGCGISA-N 462.478 0.984 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)C2 1783269409 UALWUWMGPMVNFI-NDBKNAECSA-N 494.589 0.480 30 20 JCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)[C@H]2C1 1783843892 BILXNPDLCFEAAL-JJSQAQTOSA-N 455.555 0.949 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783915031 GVFKXFFXQLAACK-KJJMTIBFSA-N 456.543 0.622 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)cc1C#N 1785196090 NBQITGSYUWHADZ-JPYJTQIMSA-N 457.531 0.382 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1785574821 TWLWDHKRAOWXTC-ZHRRBRCNSA-N 451.520 0.686 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]32)c(O)n1 1785774245 XJRXPYHURCVDFQ-QZHFEQFPSA-N 459.547 0.092 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3)[C@H]2C1 1785959524 BKIWDMQSNBBFGH-VJANTYMQSA-N 457.531 0.987 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4cc(C)ccn4c3=O)[C@H]2C1 1788038763 SXJKLEPYVZDIPX-ZULIPRJHSA-N 452.511 0.635 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCCS4(=O)=O)C[C@@H]32)c(C#N)c1 1789843310 FRUDRYLJZDPARG-LRGNLBRXSA-N 475.567 0.666 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)NC(=O)CS4)[C@H]2C1 1790452885 HEOOJGFNXTUXMS-OAOQPFQOSA-N 458.540 0.757 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1791026091 HDWKDVZZHORITH-DFQYRXGOSA-N 475.542 0.701 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)[C@]34CCN(C(=O)OC(C)(C)C)C4)C[C@@H]21 1791279572 NEVPUDOORPUKTR-ODZAAPRTSA-N 490.601 0.915 30 20 JCED CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)c1I 1795083455 MXDMFYGAWMSSKW-WDAIWFPHSA-N 457.272 0.694 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1795597259 ASEMBHZEZDEHCO-BBIADKPPSA-N 495.580 0.473 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@H]1CN(Cc2ccccc2)CCO1 1797249868 CRVSADYYTPHJTD-MRVGDRFYSA-N 483.613 0.949 30 20 JCED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1)NCc1ccco1 1797742327 QAGBMXCVDBRKDK-JKAKYPRTSA-N 457.531 0.513 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2)c1ccccc1 1797877161 LARMOPYUGJPARO-UTNFEIGLSA-N 457.527 0.838 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)OC(C)(C)C)C1)C2 1799303702 PFZUCSDWPRJYSV-IZZQQSIFSA-N 465.547 0.952 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800521763 NOOOTPLRAUKGPB-UJHHCITNSA-N 450.536 0.182 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)OC)CC1 1800558639 IXAJKFVLXFRTSK-YYIAUSFCSA-N 463.531 0.446 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccn(C)n1)C2 1802126137 CGOMRRYKKFQVKP-WQDJSCAQSA-N 459.547 0.469 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1802491364 ZQGLCZWWGFJQFT-FTRFTSBKSA-N 450.499 0.203 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](CNC(=O)CC#N)[C@H]1c1cccnc1 1806290882 NSCMVPFJFJBFKA-TXPKVOOTSA-N 458.519 0.770 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)c(C(F)(F)F)n1 1807830510 IBJHBKYIACVXSB-RRQGHBQHSA-N 461.448 0.973 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1808431774 IZDCIOGIJGQCJQ-WZONZLPQSA-N 468.510 0.912 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1810337899 PFVOMDVCHPBOMO-ACRUOGEOSA-N 487.557 0.864 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812875130 RLOAKSRXFKGJFR-IERDGZPVSA-N 470.507 0.429 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)n(C)c1=O 1815799711 LYIPFVRLJJBTQJ-OAHLLOKOSA-N 493.528 0.543 30 20 JCED C=C1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C(O)O)CC3)N(C(=O)OC(C)(C)C)C1 1826287276 VSKIDOYEPKYUGT-AAEUAGOBSA-N 452.533 0.931 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828583616 NHYWKLZASSQZOJ-CLOONOSVSA-N 481.505 0.565 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1829764623 QMALHQOUDQGWSD-UZQCKINESA-N 489.529 0.091 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)C2)C1 1831386545 HQCXIMFQRWDWNG-KHCICDEESA-N 479.574 0.951 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1831401642 DGQYJGCBBITSBM-DVECYGJZSA-N 457.527 0.220 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831697765 MRAHCFCRALDSBB-DEOSSOPVSA-N 472.542 0.556 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)c(C#N)c1 1831738899 QRQRWEUXVYOUSF-QHCPKHFHSA-N 467.482 0.375 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1833448733 MXMKSZGYTWLGNB-GOSISDBHSA-N 472.652 0.869 30 20 JCED N#Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)cc1 1833762640 RDSAKPHRSYHVPS-NRFANRHFSA-N 480.569 0.661 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1833857158 GIRANUMYNRTIOX-QHCPKHFHSA-N 453.499 0.613 30 20 JCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cn1 1834524885 BMWYOLAKRAWJME-HSZRJFAPSA-N 451.483 0.670 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834756015 ILCIXDWESRIVKW-WZONZLPQSA-N 488.545 0.545 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834859767 CRWFQXSGTBIREB-GAJHUEQPSA-N 481.546 0.313 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1835642246 LBGSCVFKRFVSEE-IERDGZPVSA-N 490.548 0.896 30 20 JCED CCc1nn(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1Cl 1835672566 DZKGVYJAWGQFGC-JOCHJYFZSA-N 480.997 0.988 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)c4cnncc4C(=O)O)CC3)CC2)c1 1835920380 IQGXMHKKXQGFDE-UHFFFAOYSA-N 451.487 0.874 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)c(C#N)c1 1836419188 XLBOWFDVBWGCDA-XMMPIXPASA-N 482.493 0.686 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1837311750 NNOJJDQDNKNLOZ-PQNGQFLHSA-N 473.574 0.682 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837384556 BJVIEUHULTZTBX-GAJHUEQPSA-N 457.531 0.644 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1837502779 OKDBYIBZSSRWCF-UGKGYDQZSA-N 452.504 0.131 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)C(C)(C)C 1837524878 IGKUKKIYZWARQT-MANSWXSNSA-N 482.578 0.523 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)on1 1837525458 WSMZJIVHJDBFNP-KRAMAXKOSA-N 450.492 0.511 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1837525674 OMDCLFRCHKRGKT-HAGRQHFESA-N 477.514 0.756 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837527890 ZMEVECCUGVISBF-ASPARNDVSA-N 472.502 0.328 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1837529402 SWDQAGDEWKWQSS-IWXLIXGASA-N 471.514 0.933 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837924912 UHYPCXZRGSTFQO-HXUWFJFHSA-N 452.895 0.709 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cc(C)n(C)n4)C3)C2)c1 1838579140 CQVJKKHCQIGKMI-XMMPIXPASA-N 467.526 0.922 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598619 SJVUGDJWKLHGME-GCJKJVERSA-N 478.933 0.433 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044618 OPRZVKHLVYRWSZ-FQEVSTJZSA-N 484.525 0.559 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C3)C2)c(C#N)c1 1839133097 ZBVPHSJBSOWMSJ-OSPHWJPCSA-N 472.542 0.433 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)ccc1F 1839187990 FSGXHZMJYVZOOA-OAQYLSRUSA-N 465.503 0.514 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839212601 FNURNFNSMKNXAU-GBXCKJPGSA-N 454.527 0.568 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccccc5C(N)=O)CCO4)C3)c2c1 1839351415 HUILXPOSAIZLHA-VWLOTQADSA-N 488.504 0.917 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c3c(nn1C)CN(C(=O)OC(C)(C)C)C3)CCO2 1839620808 RGAWZJVWHCIRFO-HSZRJFAPSA-N 473.530 0.374 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=C/c5cnc[nH]5)CCO4)C3)c2c1 1840344015 OOEMKBRYWXZKDO-ZGVNINRLSA-N 461.482 0.941 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)CCO2 1840344342 AONHYCSEAVZZJF-CYFREDJKSA-N 489.573 0.715 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840796287 DGSFNSAYJURALW-RGZWJVDOSA-N 496.605 0.827 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1840796562 IRXXGWOPYOQLQE-UZUQRXQVSA-N 482.578 0.568 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)O)C2)C1)NC(=O)OC(C)(C)C 1840796772 PBYQJNNEQOWVBN-YVHKJVDXSA-N 455.552 0.683 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1840909247 PHNNPDCAMZVRJF-FDDCHVKYSA-N 475.546 0.256 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)C1CC1 1847520480 XITGNIMLXAGAGI-IKGGRYGDSA-N 478.546 0.973 30 20 JCED CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 31917350 GVFFJWJKYCYDST-UHFFFAOYSA-N 486.510 0.567 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)CC2)c1 516309594 JXWPEJKDCMHROF-UHFFFAOYSA-N 468.539 0.475 30 20 JCED CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cc1 603796719 ZUDPNYIQCDUCER-UHFFFAOYSA-N 497.621 0.476 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1CCc1cccnc1 609038827 NDKZHHFCSPEEMV-UHFFFAOYSA-N 479.562 0.092 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)C1=O 726042475 CJDGPSBECLDHTA-OAHLLOKOSA-N 459.455 0.887 30 20 JCED CN(CCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1)S(C)(=O)=O 726105397 BAHRUPVMQZDGLV-WXVFVKJXSA-N 467.617 0.874 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 726577300 MVSISCCMDUFISY-UHFFFAOYSA-N 462.535 0.293 30 20 JCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 728888810 GLONXWMEBBZQRP-QGZVFWFLSA-N 479.603 0.191 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)CC1 728969170 MWVJGOOMGLDGRW-FQEVSTJZSA-N 453.543 0.857 30 20 JCED CN(C)CCNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cocn2)C1=O 730723281 GEWNZKOYPUMNSO-HLGQQVFSSA-N 494.599 0.390 30 20 JCED N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 731238987 QFWIYLZAAPTQLV-UHFFFAOYSA-N 450.517 0.494 30 20 JCED COC(=O)C1CCN(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 748489621 FBTOGRPWNBCQGF-UHFFFAOYSA-N 457.530 0.624 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC[C@@H]1COc2ccccc2O1 913174146 XLKYEDUOBGHMFR-GDBMZVCRSA-N 459.480 0.724 30 20 JCED CC(C)(C)N1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 914808500 UFUYBAMRIYQHAG-KRWDZBQOSA-N 476.555 0.581 30 20 JCED CCOCCO[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919621303 ZSMPUAJQKBESLM-MRXNPFEDSA-N 453.517 0.376 30 20 JCED N#Cc1cc(F)cc(C2(C(=O)N3CCN(S(=O)(=O)[C@@H]4CCS(=O)(=O)C4)CC3)CC2)c1 1141918207 RSNIRGBUHADKRO-QGZVFWFLSA-N 455.533 0.390 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1299302041 KKESUJBBBZINGU-UHFFFAOYSA-N 452.562 0.638 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1299313184 XTVZZAZKMBWRAP-INIZCTEOSA-N 492.993 0.630 30 20 JCED COCc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1301174584 NAJXXZQVCLLUMU-RBUKOAKNSA-N 476.559 0.534 30 20 JCED Cc1nn(CCC#N)c(C)c1CCC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1317938347 ZQQFPGJROJRPMP-GOSISDBHSA-N 465.576 0.221 30 20 JCED N#Cc1c(Br)cccc1OCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1472498588 ZRRSJOJRBLGVQI-LSDHHAIUSA-N 458.334 0.002 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1516806786 UYEXPWLDTJHPIG-UHFFFAOYSA-N 485.614 0.996 30 20 JCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1544959602 VHYLTDNRJHFVIQ-GOEBONIOSA-N 456.590 0.680 30 20 JCED C[S@](=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1555823657 WMWAUSVJLLJYJG-LOPLQLAGSA-N 470.621 0.652 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1697026369 XLONOOCGSGIGAA-UHFFFAOYSA-N 475.575 0.725 30 20 JCED CCOCc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1728972980 ZMGZAWRJWVQOJT-PMACEKPBSA-N 490.586 0.925 30 20 JCED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1766760445 PRVWIQBKIFPDCS-YTTGMZPUSA-N 460.560 0.792 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nn(C)c3c2CCC3)C1 1778669765 WEQVFRKKPHHGLH-KTTXHFHUSA-N 455.559 0.895 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)ccc21 1779100720 DRFMRHASNYUSLQ-FZZUMWNJSA-N 485.541 0.850 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779397731 UYMKMCZSWGWITB-SFGWALBWSA-N 465.547 0.263 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC(C)=O)OC(C)=O)C1 1779400700 QOPRXGKPMFINDM-FTFYGEEPSA-N 454.520 0.586 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1779879205 XRDKWZOSONOWIU-QFIPXVFZSA-N 450.455 0.213 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781335975 CUGNPEJQEAJELD-JLHGSKIFSA-N 455.552 0.683 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782013762 HLWJQIMJQWWYGP-OMXJDXKCSA-N 459.474 0.546 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782015244 CFGQYNMIKRTPEM-SEPYTNNBSA-N 475.542 0.845 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)OCc2ccccc2)C1 1782054549 XZCXWYLOWHXRAY-FOTFPPMPSA-N 469.538 0.906 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)cc2C1 1782560457 JBZKXCVBUZUTLF-VWLOTQADSA-N 469.586 0.861 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC=O)C2 1783268907 ICQHFMLNWCOXIQ-VOLVWJTLSA-N 464.563 0.551 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)C[C@@H]2C1 1783434324 UWLLIUDTSUMDGD-AVIJNYRZSA-N 461.515 0.551 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)c4nncn4c3)C[C@@H]21 1783531144 FDXMUHRXKLRKDA-MJBWGRTLSA-N 472.933 0.834 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccoc1I)CCO2 1783562174 GQYWVRMIMKUXPT-INIZCTEOSA-N 458.208 0.416 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1783613800 OUUHMXQGIVWZAF-UAFKUJGSSA-N 490.557 0.899 30 20 JCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1785014930 GQGJRCHDIQFRDE-OAOQPFQOSA-N 462.572 0.892 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(-c4ccccn4)nc3)[C@H]2C1 1785509436 VDLIXDUSSZQTMX-MZGITEKTSA-N 476.537 0.990 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1785573472 XALVONAAMRQIIB-KSFYIVLOSA-N 461.519 0.667 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786791693 WVGPVHOBNAMVDQ-BZSNNMDCSA-N 473.583 0.742 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1787393365 MJMRIMHKHHYUQT-LMIUKURZSA-N 498.577 0.381 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](N)Cc5cccnc5)[C@H]4C3)c2c1 1787474685 KTHOBIUSQLIAKA-UTYWTXRGSA-N 473.537 0.993 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1 1789347052 HRFHKFYDIKFSIH-ANEIOGAWSA-N 487.557 0.852 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21 1789838826 YQJSREMEKJJWHZ-VJANTYMQSA-N 478.590 0.928 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1789905735 QBQTZYZEELWTPH-JCECYMMASA-N 480.562 0.934 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789917585 JKIBBDAGQQLUJF-HAGHYFMRSA-N 481.590 0.672 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)[C@H]2C1 1792082876 VOXSBNYNDOKPIF-LQJIQPLVSA-N 497.639 0.619 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1792261801 RTWRKCLGVOQBOC-CUSZFKRNSA-N 473.530 0.692 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792272597 RZSGSMRWTMVWGX-QAETUUGQSA-N 450.536 0.148 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1)NC(=O)OC(C)(C)C 1792286094 AHRBOPSRDCIMAR-YVSFHVDLSA-N 467.567 0.494 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3[C@@H]1O)C2 1792484543 KNDYYQYIIGRFEE-QQPFGFLLSA-N 453.539 0.730 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(C)(=O)=O)c1 1792697191 AGWIMATWHNXVPM-NBMJBFSESA-N 450.557 0.866 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1793154400 DIKCCWMNQRALCY-RCLSDMTESA-N 471.558 0.542 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420553 HBPXUDIXNATZIX-BASYENTBSA-N 452.508 0.336 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)n1 1797741809 ASFOTNWBWFMCCE-OFISNVQSSA-N 458.563 0.348 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NC(=O)c2cnccn2)c(O)n1 1797866210 UEVZSDAOTLZFMG-OPOADAIRSA-N 494.552 0.718 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1797965384 QSLPCFFZQIJUFN-DLTLXFJOSA-N 483.447 0.326 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1 1798487144 NIJLKXLHLNYWEX-UTNFEIGLSA-N 492.617 0.972 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1799235827 IWIPHSVSXFTNKU-RCLSDMTESA-N 488.589 0.955 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)n2nc(C)ccc2=O)C3)c(C#N)c1 1799239883 MBYYYXJERMZCGN-IRJINJETSA-N 493.564 0.999 30 20 JCED C[C@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12)C(F)(F)F 1799883069 HRDYOFKPAIWCAS-RHQBZFHZSA-N 451.405 0.951 30 20 JCED Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)c(=O)[nH]c1C 1799883356 AYPVDOWODRGPNY-JLVBRIDZSA-N 461.482 0.652 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777492 UMLVOCDEJYZXPP-KYFSNAEOSA-N 463.531 0.844 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2)c1ccc(O)cc1 1801052022 XMMRWQUXPHDSLM-OVCNXMPXSA-N 468.510 0.031 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1801244758 JQCDXZZYPWDLKR-WQDJSCAQSA-N 497.556 0.949 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)c1 1801443410 PTAVYHGAUPQYQI-ULQWZQFMSA-N 470.555 0.318 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804094501 GAZOZYMUENDCIG-FDDCHVKYSA-N 476.493 0.590 30 20 JCED C=C(C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1)C(F)(F)F 1807025836 MKPHNFNDZYUITB-ZFWWWQNUSA-N 450.354 0.931 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]2c2cccnc2)c(C#N)c1 1808180151 YDAYOSSPTURCGP-MBSDFSHPSA-N 493.520 0.753 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808258333 JFKBANANVVWVNE-XWSJACJDSA-N 460.579 0.843 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)sc2C1 1816976102 KIFDBGCIYSAFDW-IPYPFGDCSA-N 466.560 0.979 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCNC4=O)sc2C1 1818913450 RUXBTQPGTBREQB-CYBMUJFWSA-N 484.586 0.981 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](COC)NC(C)=O)sc2C1 1820193157 ZJYAMWONZWEIAC-DZGCQCFKSA-N 452.533 0.716 30 20 JCED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1822394936 RDOCJRRLMJXIRB-AWEZNQCLSA-N 454.491 0.425 30 20 JCED CN(C)C(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1828513284 HBGGNDGUKDODRX-QHCPKHFHSA-N 470.530 0.623 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)COCCO)C2)C1 1828924727 AHEVKXSPZVIPMT-HSZRJFAPSA-N 458.515 0.751 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990063 LTUPKSKBYBYCRP-UQBPGWFLSA-N 498.584 0.581 30 20 JCED Cc1nccn1CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829247533 QZEYJAZGYQAPQD-RUZDIDTESA-N 493.520 0.732 30 20 JCED CC(C)(O)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332731 WRMGXNZAMMLQDN-DEOSSOPVSA-N 471.510 0.688 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1829351795 BUMVIKNYTROOOK-XMMPIXPASA-N 483.525 0.566 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1829766012 FUWKFGRUJRENGC-WNWNSBFKSA-N 455.511 0.550 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1831433074 FYQUQCYLUBEFHT-UUOWRZLLSA-N 458.559 0.431 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](S)C(C)C)CCO2)C1 1831486289 AUWAYGQJBKKLLP-JLHGSKIFSA-N 489.635 0.937 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1832000263 JTXSVFWJRBWNKY-WZONZLPQSA-N 465.547 0.891 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4C)C3)C2)c(O)n1 1833696444 HUCGKYOGHMSHGN-RUZDIDTESA-N 482.537 0.988 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)cc1 1834559647 NCEWAFCVKVXECA-RUZDIDTESA-N 492.536 0.201 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834899222 BSCOSWZBQZGLDC-HXUWFJFHSA-N 487.605 0.766 30 20 JCED CC(C)Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n(C)n1 1835674758 LWFUWQRCINZXMC-XMMPIXPASA-N 474.606 0.970 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1835717507 YNDYRUKIKQARRK-QFIPXVFZSA-N 475.678 0.911 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836050139 CAVXTBYFIQCSCG-HNNXBMFYSA-N 459.551 0.562 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3C)OCCO4)CCO2)C1 1836460010 CWTFOMUKYHUMTD-MHECFPHRSA-N 458.511 0.875 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1836526402 RJZOYJZQQHLHKY-MDQJKVKYSA-N 493.520 0.948 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836992228 GGDMPVRFPSKVJO-MWTRTKDXSA-N 474.514 0.888 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)N2C[C@H]4C[C@@H]4C2)CCO3)c(C#N)c1 1837287017 MCDWYPXHDDORLS-DUWWHKKTSA-N 482.581 0.906 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1837305795 JUVOEDWFOYMBQP-OPAMFIHVSA-N 456.503 0.256 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837561483 OBQMSXVQOWGVFJ-QTJZXUDQSA-N 461.450 0.565 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5cccnc5n4)C3)C2)c1 1838582586 URBUKQXZIMOSRN-DEOSSOPVSA-N 476.493 0.993 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839157919 FFAGNOSIAYIIBB-JLHGSKIFSA-N 468.551 0.047 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1839174657 QEWMFEHIIJQABK-QFIPXVFZSA-N 465.478 0.809 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1839175324 CCEQLESSLGGJHH-HSZRJFAPSA-N 459.499 0.365 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839214068 PSDKQAJUOCYKJW-KKSFZXQISA-N 495.458 0.663 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1839225691 QVYGWEYOEMGSCH-DVECYGJZSA-N 489.573 0.789 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc6nncn6c5)C4)C3)c2c1 1839488262 HXFXGWSQPZEMGK-DEOSSOPVSA-N 486.492 0.861 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839636866 QTSBECNFPPMZSR-BWKNWUBXSA-N 484.553 0.718 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCN(Cc3ccccc3)c3ccn(C)n3)C2)C1 1839810055 BFGGTRWQHYFPTB-RUZDIDTESA-N 465.554 0.906 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(O)Cn3cc4c(n3)-c3ccccc3CC4)C2)C1 1839810067 BOOFATPAGSSBEG-IZZNHLLZSA-N 478.549 0.489 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1839889590 DCDJQSLJALLSAQ-FQEVSTJZSA-N 456.534 0.434 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839959446 KHIISKAWOFRPKS-APRFEEGUSA-N 455.511 0.759 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840040209 RPCLVCIJLFFZQA-UUOWRZLLSA-N 493.557 0.568 30 20 JCED COc1ccc(/C=C/C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(OC)c1OC 1840040213 RTKWTPFPJZCVAR-SXBBHYFQSA-N 488.493 0.270 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1840108111 HWNGYKJPNPNOEJ-PDOGEWKWSA-N 496.605 0.779 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)c1 1840181177 SBKCTRIGJFLMNV-PKTZIBPZSA-N 459.499 0.553 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840802657 YOBKUVIIOKKCQO-HSZRJFAPSA-N 483.562 0.867 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4I)C3)C2)CCC1 1840814389 GUADHQYURIFMAN-GOSISDBHSA-N 499.309 0.778 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1840842331 BKUSKELPGZKXJW-RDGATRHJSA-N 455.555 0.757 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)CCO2)C1 1840866810 DPOROEXWZZNKOQ-HOYKHHGWSA-N 479.574 0.738 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840908409 AWZNDPSCQYEEGP-SBUREZEXSA-N 460.531 0.663 30 20 JCED CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840910748 KRKIMCVJIWZINQ-KSFYIVLOSA-N 467.519 0.224 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1841599697 IFMBRFRAELBXCJ-KRWDZBQOSA-N 452.515 0.421 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)=NO2)C1 1846194497 KJFPRENRZRJEMZ-HSZRJFAPSA-N 474.514 0.824 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1)C(C)(C)S 1846461595 PVZIBEBLYJZTRI-QGZVFWFLSA-N 480.587 0.717 30 20 JCED O=C(COC(=O)c1cccc(-n2cnnn2)c1)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 9745632 SDKGTKXCWLVFTK-UHFFFAOYSA-N 469.483 0.928 30 20 JCED CCOc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)cc1S(=O)(=O)N(CC)CC 11265308 ILAZDPPITTUFCD-UHFFFAOYSA-N 463.516 0.487 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3c2OCCO3)c1=O 522277901 SBKZWTCLAWMRBB-UHFFFAOYSA-N 455.536 0.843 30 20 JCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)cn2)cc1 604206401 KSWYUWQZUPHPCD-UHFFFAOYSA-N 478.509 0.687 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828930 RSWCRYVQUYSKOW-UHFFFAOYSA-N 475.486 0.711 30 20 JCED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 857752088 ADCYTDBRJPWPLT-SWLSCSKDSA-N 473.345 0.663 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NC1CCN(C(C)=O)CC1 899233737 MZSQWSPUBHHYOB-DEOSSOPVSA-N 468.510 0.822 30 20 JCED C=CCn1c(S)nnc1Cc1csc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)n1 915057857 JAFKALFDOFNJFX-UHFFFAOYSA-N 454.563 0.451 30 20 JCED COCCCN(CCOC)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918468436 RGQQOLRRIXOXOI-RELWKKBWSA-N 454.549 0.949 30 20 JCED COCCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cn1 1301849357 ZQRUSEUTMLJLOX-HNNXBMFYSA-N 450.569 0.910 30 20 JCED COCCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cn1 1301849362 ZQRUSEUTMLJLOX-OAHLLOKOSA-N 450.569 0.910 30 20 JCED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1302979187 OLAVEMNMCQCNQJ-CKEIUWERSA-N 480.488 0.885 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 1465314777 VAXUSLLDCJQMEO-IRXDYDNUSA-N 458.544 0.795 30 20 JCED COCCN(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619875105 NBDCIJMAYJFZNZ-IBGZPJMESA-N 467.578 0.791 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCCCC2)C1 1620171013 QPZRZDIJLBORRX-YLJYHZDGSA-N 469.587 0.929 30 20 JCED CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1711218796 PNHCFEGWNCHWAX-QHCPKHFHSA-N 488.614 0.913 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1729342883 SUSYUGFYBHVLJU-QRWLVFNGSA-N 461.523 0.970 30 20 JCED CN(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1747587357 XOKLNICJAUIOFH-QFBILLFUSA-N 485.586 0.164 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)C2)c1 1778115097 NEEUXNJXPJWUAR-HSZRJFAPSA-N 490.582 0.682 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778166912 LEWTZOORYIAKGT-DVECYGJZSA-N 456.543 0.743 30 20 JCED Cn1c(=O)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)nc2ccccc21 1778625894 UGDYCVKDOVJFIV-UZUQRXQVSA-N 452.467 0.149 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105708 MTZQOUIMGMGCTH-XOOVTEDJSA-N 498.577 0.621 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(N)=O)C2 1780684104 WTAUZUZDULXQAD-HOOSLVGPSA-N 493.605 0.865 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1781168368 UGLHROOKEKCAOW-OPAMFIHVSA-N 460.535 0.945 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)[C@@H]1SC(=N)NC1=O 1781298700 PVFFMOHEDCVLPZ-KVYZTJHFSA-N 473.530 0.872 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1781310084 ATOULWIMQBSGCH-FPGHNAPASA-N 497.556 0.935 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783687373 SQCKUPNGTXGUDN-HSZRJFAPSA-N 486.562 0.022 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1783883828 LPPUDJJDCVOUFP-SAHWJRBASA-N 497.593 0.217 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)N4CCOCC4)C[C@@H]32)c1 1783913464 OZFPWAOJYMQMOD-FKEBYFGASA-N 456.543 0.121 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)[C@@H]4SC(=N)NC4=O)[C@H]3C2)c(C#N)c1 1787499551 CHLJBNSSELHXHT-RSKJFRINSA-N 499.593 0.892 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C[C@@H]32)c1 1789345412 JKAOGXJZHDVSQT-IEZWGBDMSA-N 477.481 0.785 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCNC(=O)OC(C)(C)C)[C@H]2C1 1789853270 FUTCPSFHXIJONJ-VJANTYMQSA-N 467.563 0.546 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21 1789889985 ALRSSLUOYQVAAG-ZWOKBUDYSA-N 455.515 0.920 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1793063931 PSGRGWBDYXYJDB-OPOADAIRSA-N 463.531 0.701 30 20 JCED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1793571446 UWLFQRSUWTXIBK-ZJPYXAASSA-N 497.577 0.954 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C=C)C2 1793597683 SIGZNBNPSITUEV-OGJJZOIMSA-N 464.563 0.736 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)c1 1796426635 KFMFMLOUFXXBJV-SOGIYBJLSA-N 455.540 0.872 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796961588 PLRYWKMWDVHBQD-YVSFHVDLSA-N 483.529 0.244 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1797121598 QVFNYYYPHGUXLH-DAUOMPHXSA-N 496.605 0.995 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797684373 WFQPQIJZUIOIBH-KRXQYRFLSA-N 463.535 0.311 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(C)ccn3c1=O)C2 1797711304 UJGFSARMEVOSJC-YNVMFWSZSA-N 454.527 0.779 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1797714471 UIVDVMCLIKWQAP-KYHPRHEASA-N 462.572 0.054 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 1799331018 MXRPOSHEJXZTHV-HVRFAWQISA-N 467.563 0.851 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1799390976 AJLHNXINLBGMGP-UGNRZPKXSA-N 459.547 0.922 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2ccnn2)C3)N(C(=O)OC(C)(C)C)C1 1801103502 RFFQDNDBFOHSHL-DMUMMCEESA-N 474.562 0.823 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)C=CC2=O)c(O)n1 1801117950 LOSXZMFHAKOUDB-USGNIVHTSA-N 454.483 0.034 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O 1801334163 QTTZCBZQVIIXOL-QKPAOTATSA-N 464.519 0.084 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801440255 XWBDTCOIMWAMOY-DFBDCSAJSA-N 477.566 0.683 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)C1 1801983208 OEEHEKVMXGRPPI-CWQOZTLDSA-N 462.547 0.498 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCC3)C2 1802125731 QBKOCFJVMDVZQA-WQDJSCAQSA-N 471.558 0.949 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812873774 OVCOZISYEBSLSV-HLIPFELVSA-N 474.514 0.451 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)COCCO)CC2 1828287126 XEKJBQZGCJOPQH-HIFRSBDPSA-N 466.560 0.981 30 20 JCED C=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)[C@@H](N)CN)C3)C2)C1 1828488411 USIUWTCFWXAGRA-RDPSFJRHSA-N 455.559 0.691 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1829768937 LAMFHJWZFQVGOQ-PKZHZFTJSA-N 480.525 0.196 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@H](C(=O)OC)C3)C2)C1 1829773066 AAQSTYPAZCQUAF-QAECHMOBSA-N 477.558 0.281 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(C)=O)c3)C2)C1 1829773697 QLECAWYRVJYDNB-IBLIISRWSA-N 470.526 0.573 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cc3OC)C2)C1 1829777333 WAWNNXXAWCPZDX-POUSAUBHSA-N 475.517 0.692 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)c3ccco3)CCO4)c2c1 1829828669 NZHSISSFKFSOAG-OFNKIYASSA-N 465.466 0.831 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)cc1 1829902652 XAFOARHAAPIFGB-NZQKXSOJSA-N 469.567 0.584 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829903829 DJLBUWVDXCFBRX-BVZFJXPGSA-N 492.536 0.166 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCO2 1831110627 KSHDQNRNUMAVDJ-GEQKSPFYSA-N 461.584 0.810 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F)CCO2 1831135895 PXZXGPAKSSQOQB-DRSNIGMVSA-N 453.511 0.671 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1831999775 CECKDAHLFSGUHX-OIMFZILRSA-N 467.563 0.683 30 20 JCED Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c1F 1833673880 CBLFHYNODCSPCM-QFIPXVFZSA-N 467.461 0.989 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(C)nc2)CCO3)c(C#N)c1 1833815589 OTDZMOHEXRCVEB-DEOSSOPVSA-N 465.510 0.978 30 20 JCED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)Cn4cnnn4)CC3)CC2)ccc1F 1834877124 QIRMWNRELMHCIK-UHFFFAOYSA-N 454.510 0.498 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1835644699 SCCMBZSTKIWLCG-JOCHJYFZSA-N 478.590 0.321 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835703969 DJDWNZZWZYYHBT-UHFFFAOYSA-N 452.515 0.385 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)CC1 1835717705 GVCOWMLWJDEHCK-JPYJTQIMSA-N 453.580 0.747 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835751395 QLZXWFUSGDRMQY-HXUWFJFHSA-N 461.607 0.704 30 20 JCED NC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccccc1 1835815229 CIGLNPFLBHJVSS-BARJFKFASA-N 474.558 0.714 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1836470269 NQKGPXVALVVERQ-VWLOTQADSA-N 485.537 0.621 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836976865 FVRICOJIMJMHNQ-HSZRJFAPSA-N 458.563 0.571 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1837398556 DJHYVFSOLWRWJP-NTKDMRAZSA-N 473.526 0.661 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837531618 RBSLNVSXQLJUJV-WEBAALOPSA-N 490.542 0.685 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838415233 DUCNAACLKCBFHH-JOCHJYFZSA-N 488.570 0.108 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1839118260 XISUNFWTKYWYOK-IOCYEQIYSA-N 461.607 0.933 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1839173695 GKKUXHKFHJTLAU-XMMPIXPASA-N 471.510 0.761 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1839223841 JLQJGCKWPFSBLV-NTKDMRAZSA-N 489.573 0.789 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)N1CCN(C)CC1 1839488840 IAJQKECOIJJKGG-AVRWGWEMSA-N 495.584 0.140 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H]5CCCS5(=O)=O)C4)C3)c2c1 1839489202 RPZKPQAUKIKYCN-PGRDOPGGSA-N 487.538 0.082 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2ccnn2)CCO3)c(O)n1 1839706375 KYMVTXMTGVGXSR-HXOBKFHXSA-N 470.530 0.829 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1839842677 CWBGAQOKEPYIBP-MWTRTKDXSA-N 471.514 0.961 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1840180804 HPOYTXQGWGLHQT-DHIUTWEWSA-N 459.499 0.438 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1840218859 RQLPIDAVIDVVBB-BJKOFHAPSA-N 477.558 0.228 30 20 JCED Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1840405612 XMOQGQALKUVUJP-HYBUGGRVSA-N 458.559 0.908 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1840819275 ATGGYOOXSCJKCS-DEOSSOPVSA-N 481.509 0.686 30 20 JCED CCc1c(I)c(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)nn1C 1843112252 WJYOXHKWQBZGDY-UHFFFAOYSA-N 470.267 0.492 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)Cn2cnc4c2c(=O)n(C)c(=O)n4C)C3)c1 1846827369 ZHIMLKDCHFJARY-INIZCTEOSA-N 489.536 0.578 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=O)c1cc(C)on1)C2 1847068482 BPTQTUQKVINBPD-MRXNPFEDSA-N 473.530 0.833 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 18760278 UIKLOWUADGAMFY-HSZRJFAPSA-N 498.517 0.981 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(F)c2)c1=O 489104202 PWBIYXCTHNXFJE-UHFFFAOYSA-N 458.559 0.800 30 20 JCED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCCO3)c1=O 515626198 VVYUOKADAPNWHC-UHFFFAOYSA-N 487.603 0.796 30 20 JCED CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 518215309 MXFIQUVRHNVJQS-QGZVFWFLSA-N 454.574 0.453 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)cc1 524281986 KIHWJRVPLJNCRC-UHFFFAOYSA-N 474.608 0.147 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828895 QFXAGSHGESFBOE-UHFFFAOYSA-N 475.486 0.711 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(OC)nc1 608884282 CWXIPVQRJGTTFV-CQSZACIVSA-N 495.517 0.865 30 20 JCED COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 769645437 MOBPGQLTWPCSCV-UHFFFAOYSA-N 474.495 0.452 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)sc(=Cc2cnn(C)c2)c1=O 838243239 PXBGJVMPYNRMPS-UHFFFAOYSA-N 497.577 0.169 30 20 JCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC 916922967 HNHRDUXALFGEFQ-INIZCTEOSA-N 471.491 0.916 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)c1 918647401 PWDZOXXMSSIANR-UHFFFAOYSA-N 450.561 0.881 30 20 JCED CCN(C[C@H](C)C#N)C(=O)COC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 918787187 LIDAMFXSSVGLNP-MRXNPFEDSA-N 467.544 0.810 30 20 JCED CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1288277823 UWYQBJYKLAOPAF-UHFFFAOYSA-N 461.548 0.335 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1293218971 SUEOJJFBAABRLK-AEFFLSMTSA-N 457.560 0.813 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314543955 KUOPNKXPSMRUFV-WMZOPIPTSA-N 451.597 0.630 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4S(N)(=O)=O)CC3)CC2=O)cc1 1454203655 FBEPPOJWZXAOCL-QGZVFWFLSA-N 453.524 0.907 30 20 JCED CC(C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1509528597 UIKKGCYCFCBKKH-MOPGFXCFSA-N 480.639 0.128 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1516023182 JDSJFSHMCDGOCD-OAHLLOKOSA-N 467.502 0.716 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCOC[C@H]1C 1541942579 GPQOXACXWSXFJS-MUQADHOPSA-N 451.597 0.737 30 20 JCED CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1558592115 NWCZGEAZFBKMPR-KBRIMQKVSA-N 452.533 0.976 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)cc1 1660288896 RUXQXMQIAFONTE-HNNXBMFYSA-N 458.562 0.648 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705747769 USHKILQKOPSNFP-AWEZNQCLSA-N 461.976 0.215 30 20 JCED CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)N1CCOCC1 1741941755 WISKKTRNKNKVEA-IHPCNDPISA-N 494.666 0.422 30 20 JCED CCS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768300548 OLVUDEWYHXJJIX-UHFFFAOYSA-N 481.586 0.796 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778090541 USVUGDDZUYFAOO-XMSQKQJNSA-N 483.635 0.208 30 20 JCED COCCn1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C3)n1 1778241788 AKSZBYZSKZWZHY-AUSIDOKSSA-N 460.579 0.939 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778850610 ZFZPMGPYSRMZEU-AUSIDOKSSA-N 450.580 0.257 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1778943850 WLOMAYAFZMCNIF-OYHNWAKOSA-N 463.535 0.552 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)CO3)C2)C1 1781050392 ILOVIXVPYSTLPY-MGPUTAFESA-N 457.474 0.721 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c(C#N)c1 1781174797 UQRHNRMAYCAIHI-RUZDIDTESA-N 477.521 0.764 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1781207783 CORKZLLVCROWBN-QFIPXVFZSA-N 468.551 0.678 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1782147675 JCJFHLMAQUCJLO-GSHUGGBRSA-N 485.603 0.462 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783644472 ZNRZZPLPEGLLNQ-IBLNIGRDSA-N 491.541 0.176 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)CCO2 1783913947 CPUURPNEEFFWIX-OPAMFIHVSA-N 466.583 0.549 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784540068 WLLITJFIPHTWMP-JTSKRJEESA-N 460.535 0.415 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN(C)C(=O)C(=O)O)CCO3)C2)cc1C#N 1785198025 RFSZFXQYXPXAEO-HSZRJFAPSA-N 472.498 0.332 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1)NC(=O)OC(C)(C)C 1785302190 MENMBYFNXXKXRY-KSFYIVLOSA-N 452.552 0.812 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]nnc5n4)[C@H]3C2)c1 1787272825 VMIMYMLAONMTRN-DOEAQHAXSA-N 476.497 0.347 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)[C@@H](O)C1 1788250557 SJQWQNKGGLVGNJ-DFQYRXGOSA-N 493.557 0.062 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1788660579 YRANAZMRRNZBHS-PFTOCKDSSA-N 476.574 0.896 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Br)cc3O)C[C@@H]21 1791077985 ARXJBDNWSRERJS-PJODQICGSA-N 451.273 0.836 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H]5CCNC(=O)C5)[C@H]4C3)c2c1 1791347524 IWZHBQBKHYYPTJ-YEWFCNIMSA-N 450.499 0.554 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)CC1 1792129169 QONCJBPCGXVASJ-FHWLQOOXSA-N 475.590 0.823 30 20 JCED O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1792239042 IRKRPVUZOKQBKZ-ULQDDVLXSA-N 479.624 0.525 30 20 JCED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2cccc(C#N)c2)no1 1792832028 HXRZJEZRVIHHJM-BBIADKPPSA-N 465.510 0.807 30 20 JCED C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1ccccc1C#N)NC(=O)OC(C)(C)C 1793154446 IUJQAODGEFTGLF-FSIJUFHLSA-N 486.569 0.964 30 20 JCED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1795275854 UZTZNGJAYOJVET-CWPLJXCYSA-N 454.508 0.093 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1797119315 CCHUEEVTGICYRU-XRNRSJMDSA-N 479.574 0.232 30 20 JCED COc1ccc([C@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cc1 1797810258 NKDHBXXACYNONC-MMSIZDSOSA-N 461.515 0.847 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)Cn2cncn2)c(C#N)c1 1797899886 WNXGSDPHNUEGPX-XCRNZQRYSA-N 452.515 0.627 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798695804 MDLAPAAAAUQLHD-UDKICSLYSA-N 467.501 0.976 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1799232597 RYAVGMQSZPUEIE-AJYBTWMASA-N 490.605 0.113 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1799393504 LBFITHXYIURXAA-DCXXXQMHSA-N 499.572 0.570 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOCCOC)C2)C(F)(F)F 1800551602 AQDDDWITGPBLHJ-IZZQQSIFSA-N 482.496 0.781 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2)c1ccc(O)cc1 1801053806 UZWHULDFGJQRHT-RGKFVRLKSA-N 491.548 0.733 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801435586 RPEZSQBMGRWCKG-KSWRQPAISA-N 463.539 0.293 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801734405 QPHIJWHPNUCAQD-WOZUAGRISA-N 494.633 0.608 30 20 JCED CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)COc3ccccc3C#N)cc2C1 1801994417 MMKZUUSCYSXPFN-NHKMSHSESA-N 478.553 0.872 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1807151749 YDPFJHVFJRFQSX-LAUBAEHRSA-N 467.530 0.944 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)[C@@H]1c1cccnc1 1808393826 SBPOFSMQUSGJMF-HUMVNOLHSA-N 457.556 0.928 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1811406411 MJUSRDSIQRKZKA-HTAPYJJXSA-N 476.493 0.833 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)[C@H]2c2cccnc2)N1 1812443191 ALUAYRPBVLKTCD-GJPOJAMWSA-N 495.605 0.681 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)NC(=O)c2cnccn2)[nH]n1 1814438011 GAUMPCZCQWURNX-YMQRJHMESA-N 480.529 0.869 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1822920751 QZUYHRDDVXIAQV-AWEZNQCLSA-N 484.600 0.295 30 20 JCED NC[C@H](N)C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCN2C(=O)OCc2ccccc2)C1 1828876174 NJSAHZPNUNMTEI-HOFKKMOUSA-N 489.576 0.776 30 20 JCED O=C1NC(=O)[C@@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC3(O)CCCCC3)CC2)N1 1828945338 REASUJIYSZZJPE-MOPGFXCFSA-N 458.559 0.903 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCN2C(=O)OCc2ccccc2)C1 1829224039 XXRFZUSGBUXXLI-XMMPIXPASA-N 472.542 0.997 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1829344838 CCCAVQYWCXCOIQ-PNLZDCPESA-N 462.572 0.891 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C3)C2)C1 1829661216 PERBXPXAJUFTBF-WZONZLPQSA-N 467.563 0.685 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)oc3C(F)(F)F)C2)C1 1829766051 IGDYQIPZIJCUMZ-BBIZLLLXSA-N 486.447 0.930 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1829768668 DHCPEITTXHJAIM-PKZHZFTJSA-N 465.510 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1829768726 GIAODNGZPWMGMA-KBDOHKNDSA-N 482.537 0.424 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)CC2)ncn1 1830050991 SGSORENBUWYUOF-DEOSSOPVSA-N 486.573 0.708 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1831386250 DMGDVLKMTGIFST-BTYIYWSLSA-N 461.544 0.136 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1831386410 GMPWOKMVAZUULQ-HXOBKFHXSA-N 473.551 0.558 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)CC1 1831671786 XOHPIXMMQKNWET-KRWDZBQOSA-N 476.493 0.892 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833024314 JEGHRKXPERIIRP-JKXTWKSPSA-N 480.587 0.404 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833464051 LMVIANDLBCKMBK-YLJYHZDGSA-N 480.606 0.482 30 20 JCED Cn1c(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)cccc1=O 1834714738 NDIFJSHGHORMEY-UHFFFAOYSA-N 456.591 0.852 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835346843 WQCHIDOIGGYJIE-VWLOTQADSA-N 484.553 0.852 30 20 JCED COc1nccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1F 1835673978 CGPRVBOPIWBIHA-JOCHJYFZSA-N 463.510 0.581 30 20 JCED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)n1 1836070006 RBIABOZIRDMVPV-FNEOHHHZSA-N 460.512 0.878 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836848176 JNIAFCYPTDJWDE-QFIPXVFZSA-N 457.487 0.309 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837241710 QHQMMRVHLDUPIE-UVDDSOTQSA-N 454.589 0.300 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837363121 CWFLNFXPYSIXMO-MWTRTKDXSA-N 493.561 0.178 30 20 JCED Cc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1F 1837525550 XFAIVOAHLXQNHY-FWAUGURXSA-N 453.471 0.456 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528736 NZNOWXIATKXWTL-HJSICRDTSA-N 453.536 0.545 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)c(C)n2n1 1837562918 HNVDGYCDBUJDEO-AVWDHSPOSA-N 481.513 0.523 30 20 JCED O=C1Cc2cccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)c2N1 1837564865 BRAPSIFSBIMZEG-YGYQLRJYSA-N 466.494 0.963 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565579 WTBBEZWXKXRBSM-FCLRCFQESA-N 473.526 0.910 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1)c1ccccc1 1837612643 HSINQNMWIONTDK-JYFHCDHNSA-N 469.582 0.972 30 20 JCED CN1CCN(CC(=O)N2CCC(OC3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)CC1 1838285645 XTOOLRLKBSBQGC-KOEQRZSOSA-N 459.591 0.945 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1)c1ccccc1 1838326471 AVINBIQQEWRNCS-FNZWTVRRSA-N 491.548 0.843 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)ccn2C)CCO3)c(C#N)c1 1838534617 UFHLRGJJRGVYMF-RUZDIDTESA-N 480.521 0.578 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1cccc(Cl)c1 1839043625 KGWVMAHDNPKANB-IRLDBZIGSA-N 477.901 0.062 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839130813 VPEODRUCYIIGJK-HOYKHHGWSA-N 494.589 0.405 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCOCC1)CCO2 1839139488 JIWASETZTPYYIH-NTKDMRAZSA-N 479.574 0.786 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)c1 1839421063 UGNQYLCTIMHERG-JOCHJYFZSA-N 460.462 0.610 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839423867 AORYEFYXWJTZJC-OAQYLSRUSA-N 479.990 0.766 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1)N1CCN(C)CC1 1839424642 UMAHHPQYRFNRMY-MHECFPHRSA-N 490.004 0.918 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nccn4)C3)C2)cc(C(F)(F)F)c1 1839443562 OROYLVQSWCHQGO-FQEVSTJZSA-N 478.431 0.939 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1839716672 VSURXPOXCLEQQZ-VWLOTQADSA-N 484.553 0.852 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)=NO2)C1 1840008502 JKUJWKZRRATLCF-JOCHJYFZSA-N 477.518 0.122 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840142832 ZQXKOESONPXBOC-GNKUFIOOSA-N 493.557 0.727 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)C2)C1 1840155849 DQOCNILENZYTAK-QQMNAOGKSA-N 499.630 0.930 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1)c1ccc(O)cc1 1840220403 NJHIRXOHOOYPFW-IPVFLDMMSA-N 483.565 0.872 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)c1ccc(O)cc1 1840222154 GIGOCYSUNVQZQF-OHUGHZGNSA-N 469.538 0.482 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840770933 SVMJLJZNQOLXNK-CJAUYULYSA-N 483.521 0.777 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881610 ZHJQFDQGMUQBHY-SXBBHYFQSA-N 490.509 0.782 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840907404 UIZRAWKXXGTDCA-WAIKUNEKSA-N 489.529 0.169 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1840909139 NFTVOTMFLVSFKU-WVMBUTMQSA-N 494.589 0.226 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccs1 524337309 BXWWOVJDRQMWET-UHFFFAOYSA-N 495.630 0.560 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(OC)nc1 608884562 MUAXUMHVELIKLO-CQSZACIVSA-N 495.517 0.865 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(C(N)=O)cc1 726577880 XFYKFRGZZGTUBP-UHFFFAOYSA-N 483.575 0.419 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)Nc1ccc(-n2cncn2)cc1 728072819 JLGNDVUEBRYXHC-UHFFFAOYSA-N 467.511 0.841 30 20 JCED C[C@H](OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N(C)CCC#N 729235084 CBLIGEHPKKNMOV-KRWDZBQOSA-N 464.544 0.603 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCS(C)(=O)=O 729673420 OLJOPIUYEDRNQI-UHFFFAOYSA-N 463.581 0.382 30 20 JCED COCCN(CCN(C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 729880972 RGGUZJJTLOERCO-RELWKKBWSA-N 453.565 0.475 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(C)c1C 838893755 FNOOPIKMSGLPGW-UHFFFAOYSA-N 451.552 0.905 30 20 JCED C[C@@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)N(CCC#N)c1ccc(F)cc1 856409109 DIRHVRKXGFGUNM-CYBMUJFWSA-N 456.434 0.451 30 20 JCED CC(C)CN1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 914597403 MBXFQWAJQYQVNJ-GOSISDBHSA-N 476.555 0.439 30 20 JCED COCCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 916891850 GNAQMTTXYHZCDR-KRWDZBQOSA-N 484.962 0.425 30 20 JCED CC(C)(C)OC(=O)N1CCN(CCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 917254039 IXCCZCFEKMJEON-UHFFFAOYSA-N 465.576 0.784 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 918285590 PIKREJZOBBMVFI-HUSAPJIJSA-N 456.546 0.083 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)nnc12 918818596 URPBQBXEIFFSTM-CYBMUJFWSA-N 472.527 0.458 30 20 JCED CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 919649919 OAOKOPVARAJUDA-OAHLLOKOSA-N 453.521 0.108 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1C#N 1269303478 QVPCWISVGYZOEE-UHFFFAOYSA-N 458.544 0.584 30 20 JCED CNS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1315072518 GJXPNJGUYQSHIO-SFHVURJKSA-N 459.576 0.891 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(S(C)(=O)=O)CCCC1 1360672401 QRWMLLHABDNPFA-AWEZNQCLSA-N 458.610 0.986 30 20 JCED COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1504041975 PHZIMERLIQTYFR-UHFFFAOYSA-N 461.544 0.894 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1510199999 RAVPHNIFAOVYBU-RLFYNMQTSA-N 458.610 0.843 30 20 JCED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1516182643 LQWFSYNLDCXRCQ-PKOBYXMFSA-N 457.528 0.312 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1692796861 SWQHADNOYHOOGK-HOCLYGCPSA-N 466.612 0.370 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1698319147 YXNZXTLGNWRHDL-UHFFFAOYSA-N 473.603 0.915 30 20 JCED CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1748294825 UVXBZMTUJZOSIO-SFHVURJKSA-N 454.516 0.734 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1769059676 JBPDWXJNRYKORB-QHCPKHFHSA-N 452.563 0.094 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1779021200 CKXGWMOEQNCXCA-LKQKOTCASA-N 453.590 0.148 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)C1 1781034907 CFCIVGJUYGKHBS-IFPQPJLBSA-N 464.563 0.930 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1781290486 HNZJFDAAEVZNNA-QQMNAOGKSA-N 482.578 0.739 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781380327 LWLNQJJSBMYYCL-BLJGPLFWSA-N 498.621 0.374 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017965 XZPHTKPDYHGXGE-LQVNQTCBSA-N 475.542 0.986 30 20 JCED COCCOCCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1782062114 WVBJIWNAPWELHC-HYBUGGRVSA-N 482.622 0.852 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1782195416 SXHNIZHEOKONOT-DEOSSOPVSA-N 479.541 0.042 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CNC(=O)c5ccco5)CCO4)C3)c2c1 1782196101 UOUWFZOBEHSDOF-HSZRJFAPSA-N 462.466 0.901 30 20 JCED O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CCN1 1782270256 NWGMETXMZMIUEU-ZTIAMSAJSA-N 450.536 0.556 30 20 JCED Cn1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c2cc(Br)ccc21 1783565499 LXKBKCNJKKMJIX-HXUWFJFHSA-N 475.299 0.867 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)CCO2)C1 1783896531 ASFMMAGGCWRYFI-URUQKROJSA-N 469.604 0.893 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@H]4CCC(=O)NC4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089622 WBBSBOZRWQHJMI-XFAGBWLFSA-N 476.574 0.908 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1)NC(=O)OC(C)(C)C 1785305725 BLYJKTGUOFREDP-QVKFZJNVSA-N 452.556 0.159 30 20 JCED Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)c(=O)nc1O 1785382276 VVLMYQJQWMGQGC-QHCPKHFHSA-N 467.482 0.038 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1785572703 ORFZRQVRFKUAGJ-VGOFRKELSA-N 490.517 0.538 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1785577962 SJPILZAMHCBPKH-KOSHJBKYSA-N 485.541 0.767 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786363867 DEUSNNCFLFRHQT-BRFLTPSNSA-N 450.536 0.904 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cccc(N2CCOCC2)n1 1787657765 LZLHXHAFNLTYCV-TUOWURLMSA-N 484.601 0.983 30 20 JCED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)cn2[nH]cnc(=O)c12 1789175705 DAXXHYXSZLNRCQ-OBJLEEPSSA-N 466.498 0.636 30 20 JCED COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327796 ALAAMPXUFVFEIU-ZVZYQTTQSA-N 471.539 0.934 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792109043 QEYIXDIQTHEVPL-FKSLSLAPSA-N 495.621 0.418 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)cc1 1792423002 MBTALPDFNNCALR-NHKMSHSESA-N 450.495 0.396 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258393 BQAYMQYQMYJVKS-HATOLVCRSA-N 479.574 0.547 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1793310136 OEOAWBGMKGNNDF-DFYYWFRZSA-N 467.975 0.609 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1793349859 OHWBMAJQIHDFSK-SFFUCWETSA-N 481.546 0.071 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1793389439 UYOZDQZDQACSBN-JSJNYSNDSA-N 498.646 0.610 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2 1793823769 WSZYZOJJESTQEY-YYAJDYIMSA-N 485.603 0.952 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)Cc1ccco1 1794158464 WYWOXYVVOAXFPU-MPWIWIEXSA-N 489.525 0.783 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCCC2=O)c(C(F)(F)F)n1 1795449258 HBHXOELKRZSUMF-IVWMJMPLSA-N 465.432 0.798 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)c(O)n1 1795728808 PXMREXBIEKASFA-HBCWATKFSA-N 479.497 0.154 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H](N)C(N)=O 1796078622 GSZWZLAVWVXVGJ-BQJWPVKWSA-N 451.568 0.687 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1797704958 WVJPZDGZEZUQIV-ZHCJQAHYSA-N 455.552 0.035 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cc1 1797818491 PANWXPLVZSCJFA-BZNVVNFHSA-N 472.542 0.843 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)O)C2 1798357933 JYURMEBSTYUJAI-NQNKBUKLSA-N 468.551 0.811 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799199651 LITCLNGAAQLYSG-QSMSVPEVSA-N 481.590 0.377 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1799231970 FLNDQBMOZHKGCZ-YVSFHVDLSA-N 460.535 0.705 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CC(N)=O)C3)N(C(=O)OC(C)(C)C)C1 1801101994 UIDIDIDMABTARV-LVEJAMMSSA-N 464.563 0.653 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2cccnn2)c(C#N)c1 1801347815 DGECUWQHYKBQHX-FEJSZKPUSA-N 451.483 0.568 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1803546213 WCJBZFAYXJVQBP-WRWLIDTKSA-N 450.499 0.379 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2(N3CCN(C)CC3)CC2)[C@H]1c1cccnc1 1803549842 GKJHHHCHKJUZLK-FCEUIQTBSA-N 453.587 0.906 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807721686 WAEYGEDQGBUWIP-NXNFSMPISA-N 485.585 0.727 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)n(C)c1=O 1823884285 OZROGDUIMZWGAZ-QGZVFWFLSA-N 483.573 0.603 30 20 JCED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1825105106 KCASWABESDFDOY-HOCLYGCPSA-N 476.603 0.372 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)sc2C1 1826643892 NEJBWZIKTAEHCU-DXCKQFNASA-N 458.544 0.564 30 20 JCED Cc1cnn(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)c1 1829332717 VOEHXCWPKBKBTD-RUZDIDTESA-N 493.520 0.732 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)CCO2)C1 1830737143 BHXMAIRCNSDWLE-YZZKKUAISA-N 467.563 0.642 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1831387980 USONLYFSNVOWCH-IMWIBFENSA-N 461.559 0.272 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1831393354 KGMUCLGNAHJFJP-MWTRTKDXSA-N 456.499 0.075 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c(CC)c3Br)C2)C1 1831393511 MWMRXLKUHJINLA-VFNWGFHPSA-N 497.390 0.853 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1831406183 YOADKKNRLIDYQG-OAQYLSRUSA-N 452.483 0.835 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1831434314 WGSGAYRFWFSUQB-KNQAVFIVSA-N 458.552 0.104 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cn3nc(C)cc3C)CC2)CC1 1833073973 UWTCTBSIYSKSNI-WAYWQWQTSA-N 456.591 0.930 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833563943 IAMDVYXDQGBGFH-VGOFRKELSA-N 481.571 0.287 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833618079 TXDIHYGFSNZPOT-WZONZLPQSA-N 455.515 0.928 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CN3CCc4sccc4C3)CC2)CC1 1833736964 JRYURZNLCGJPPF-UHFFFAOYSA-N 458.584 0.766 30 20 JCED O=C(C[C@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1833760379 BEXZGLIHNYWOGP-REMYHPOOSA-N 487.582 0.657 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834326843 OWAQDFXGSOTJOW-MRXNPFEDSA-N 458.563 0.403 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cocn3)CCO2)C1 1834513067 IXHBMMMPYYZFEJ-KSFYIVLOSA-N 462.503 0.661 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835068115 NHTYCEGQOOSFKO-LEWJYISDSA-N 492.665 0.541 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835342344 XSNSHIOXUHMOJC-HOYKHHGWSA-N 492.573 0.773 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cc2NC1=O 1835345681 UHLRQTSOJNZOOC-NPMXOYFQSA-N 454.483 0.780 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)C1 1835355188 WLCICCJRZISBIJ-JOCHJYFZSA-N 476.917 0.826 30 20 JCED C[C@H](Cc1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682933 YXTPIUKWGMNKMD-DVECYGJZSA-N 457.575 0.998 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836114731 YNOQMPWYJJHUKG-OXJNMPFZSA-N 451.549 0.826 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](C)n4cnnn4)CC3)CC2)c1 1836125182 BPWAUOZAUHHWLI-INIZCTEOSA-N 466.546 1.000 30 20 JCED Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CCO3)cc1O 1836320397 AMIBOPSZGJNWBO-HXUWFJFHSA-N 494.430 0.795 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncon4)C3)C2)c(C(F)(F)F)n1 1836321935 QRRNWVPQOKJPSJ-SFHVURJKSA-N 466.376 0.739 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837161732 XJILOXKGIYNEFV-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1837390545 ATSHGVJJKRLXOO-RDPSFJRHSA-N 462.543 0.973 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1837396904 OPBVUAYYQXZMGS-CJFMBICVSA-N 484.553 0.809 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1837443464 BNCLJIROFIURKY-VWPLMULRSA-N 485.541 0.649 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837482648 XXYKFGREOGIJEE-PBRNYSIESA-N 476.534 0.262 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)C1 1837526064 SKWMDYIMUGZVBQ-DIMURADMSA-N 481.546 0.561 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1837531218 ZRJRLIAKLVFBCI-XQHLYRQSSA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1837531509 ONTYGHWFXMKYSR-UCYCTBOASA-N 498.540 0.866 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837658972 IWUHDBGSPCPAHG-OAQYLSRUSA-N 468.501 0.955 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838415012 VQGLMALATHEQLM-QVKFZJNVSA-N 462.528 0.417 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949539 HTYVKPRULPTERY-DVECYGJZSA-N 488.541 0.514 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)CCOC1 1839191271 BIPRYBIVQAYZRU-VXKWHMMOSA-N 466.535 0.430 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839209132 OZMJHDMRVXCQOK-HRAATJIYSA-N 454.524 0.022 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488338 MCXNDKBOZUSAJJ-DEOSSOPVSA-N 493.524 0.661 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839716565 QDCSZFUNLQOJSN-CYFREDJKSA-N 489.573 0.565 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cc3cccnc3)NC(=O)OC(C)(C)C)C2)C1 1839806895 GHBDMHBKDXRBSJ-YADARESESA-N 472.542 0.607 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1)C(F)(F)F 1839894445 CCBXRXMTROGLMA-OAQYLSRUSA-N 468.476 0.958 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1840165626 DXVKQPKNXPVZAP-VFCRVFHLSA-N 471.576 0.687 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(O)cc1 1840222614 VIDUSFOYPFCQLY-DVECYGJZSA-N 454.479 0.434 30 20 JCED Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840388516 XJGYNIZVPDXBLV-FYPJQRNGSA-N 477.562 0.957 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(O)cn4)CCO3)C2)c1 1840498254 YIMGFEHICDYOEB-DEOSSOPVSA-N 466.494 0.980 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840844056 BIDVOJGSUQZONU-HXOBKFHXSA-N 481.546 0.313 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840883840 NSNYPSQUAYPSFH-JOCHJYFZSA-N 452.552 0.314 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1840909428 SPJBGURDPZTFNR-MHECFPHRSA-N 491.541 0.759 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300126 NAYSYLRVFNWOHD-ROXVCHECSA-N 467.567 0.961 30 20 JCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2)NC(=O)OC(C)(C)C 1846934348 WKTRREDBJHKXQW-GOSISDBHSA-N 498.646 0.780 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1847102352 VROUJLMVIDYYJV-HNNXBMFYSA-N 450.540 0.835 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CC 1847493199 QJHZEPNJXKFUCA-LTIDMASMSA-N 468.551 0.765 30 20 JCED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 26016799 QUKBLYIJBHUTCP-QHCPKHFHSA-N 499.524 0.997 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCNS(C)(=O)=O)nnc12 31219205 QIARLKUNCWNAFL-UHFFFAOYSA-N 450.546 0.378 30 20 JCED COCCn1c(N)c(C(=O)CN2CCN(c3c(C#N)cnc4ccccc34)CC2)c(O)nc1=O 500667725 SRBWCZSIFMTTNI-UHFFFAOYSA-N 463.498 0.602 30 20 JCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1=O 502484983 GFXRYLSZFXPMBZ-UHFFFAOYSA-N 473.507 0.726 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3)c(=O)n2C2CCN(C)CC2)CC1 516828654 YGGHEEWZHAPDGP-UHFFFAOYSA-N 483.613 0.983 30 20 JCED CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 517186170 SIXUXXMLDBVIJM-UHFFFAOYSA-N 499.549 0.545 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2c(C)cc(C)cc2C)c1=O 522284488 SLZVMPMROXRTDV-UHFFFAOYSA-N 498.649 0.823 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O 524281264 OBYDJJWPCFNILT-UHFFFAOYSA-N 452.458 0.833 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O 524281993 KSJQMYSDXYAWKR-UHFFFAOYSA-N 469.535 0.855 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)NCC#N 524443213 DMJWLVFGPMHDCS-UHFFFAOYSA-N 455.540 0.876 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 608829036 XWVSRLKMYOMNBO-UHFFFAOYSA-N 462.531 0.572 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(N)=O 608911695 FRDODQVFGPDEMY-UHFFFAOYSA-N 467.334 0.064 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)ccc1F 725922904 WNYGLBVRQRCOIM-UHFFFAOYSA-N 471.488 0.733 30 20 JCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCS(C)(=O)=O)c1=O 729673156 FQZNFEUKOLJOQL-UHFFFAOYSA-N 459.593 0.825 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccnc3ccccc23)c1=O 731352902 WJRVZBRFPUDWTN-UHFFFAOYSA-N 493.589 0.056 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 786450553 VCKCCDUZXAHXDR-UHFFFAOYSA-N 467.500 0.429 30 20 JCED C[C@@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 853670950 BGTBQFWNCOFOHY-OAHLLOKOSA-N 472.527 0.186 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccc(N2CCCC2=O)cc1 919033953 HJGIGIPHODAHNC-UHFFFAOYSA-N 470.507 0.823 30 20 JCED C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 920731030 LGOMBIMKMYOFTG-UHFFFAOYSA-N 454.501 0.427 30 20 JCED COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1301836853 OZJOVXLXBMKWMY-IBGZPJMESA-N 493.565 0.595 30 20 JCED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1316075182 ZPSSSUWTJUKASP-SFHVURJKSA-N 454.535 0.521 30 20 JCED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1508434077 MNUUTOQBZITUGS-HZPDHXFCSA-N 460.560 0.933 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@](C)(O)c1ccccc1 1510219963 RHHNRNWIZMSBLT-DKZVUGQWSA-N 473.603 0.973 30 20 JCED CC1(C)CCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1510305566 LLWOCUCWODQZMM-QINHECLXSA-N 468.580 0.281 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1541945962 NTSJTDMBIOILCL-NSJMIIRRSA-N 466.589 0.544 30 20 JCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)[C@@H](C)C1 1690840416 MYJVIWQXOVJBAH-YCRPNKLZSA-N 458.544 0.423 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1692788176 YSWANICIUQOVFS-BPXKWBHBSA-N 491.593 0.945 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccc(F)cc2)n1CCNS(C)(=O)=O 1693749775 UCHAQRLVUXPRHW-MRXNPFEDSA-N 499.576 0.934 30 20 JCED CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1698306023 TUKHPBYFIUHMLK-UHFFFAOYSA-N 453.546 0.398 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCOC1 1706886053 JWCOLCUJDLNRLA-WBVHZDCISA-N 460.564 0.518 30 20 JCED CCNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1746505756 RIJULWWDOZBESL-ROUUACIJSA-N 458.544 0.707 30 20 JCED CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1777984006 ABMQMFWZOGZROY-BHWMCKAGSA-N 453.540 0.476 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)[C@@H](O)C1 1779139424 CQFXMCSMKZZBKW-UBSXSMEMSA-N 490.557 0.756 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779313405 FXJLGZXSFOXUNE-ROWPZZNUSA-N 489.573 0.846 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC4(O)CCCCC4)C3)CC2)CC1 1779397036 GZRZWPOGUBEUNI-RCZVLFRGSA-N 486.657 0.979 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1780654394 YIQKYFXNJIBWBB-FUQIYGJBSA-N 493.601 0.766 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1781090644 UOEDVYUKKGAFIY-NBGIEHNGSA-N 453.587 0.957 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4CNC(=O)C4)CCO3)C2)CC1 1781170254 YMZPJJAVMTTWNH-XDHUDOTRSA-N 489.573 0.493 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1781264375 XXCQPPLSQNTGJT-UUOWRZLLSA-N 495.573 0.962 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1781267968 DKECDJGVVOLLTQ-MHECFPHRSA-N 495.573 0.962 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781339835 IWKLFMIGUREBKS-UQBPGWFLSA-N 493.601 0.791 30 20 JCED COc1ccc(CNC(=O)CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1 1781560814 FDYNBGAUPNJMKW-CJFMBICVSA-N 485.537 0.694 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781782345 ZREVAXQROHGCIZ-MNFWLRKXSA-N 476.574 0.553 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5cnncc5C(=O)O)CCO4)C3)c2c1 1782196692 CSTUDLLDQKQBAH-QFIPXVFZSA-N 461.438 0.680 30 20 JCED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1783315034 PYZRUQUJOFINDR-KBMIEXCESA-N 490.601 0.993 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@H]2C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1783454227 SWGLTCGDGIRHFV-GAJHUEQPSA-N 489.573 0.493 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)c(I)c1)CCO2 1783563307 NDCQENIQJBYEGX-SFHVURJKSA-N 484.246 0.528 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783687166 QGIKSSIGEUITFO-HXUWFJFHSA-N 464.506 0.724 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1783765940 CQPXSIVEUCMGBQ-WZONZLPQSA-N 466.579 0.618 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1785424992 FQJHFWXRDMUULI-HOYKHHGWSA-N 478.590 0.991 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1785682427 OONUYBYBSXMJAL-IERDGZPVSA-N 453.511 0.814 30 20 JCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C[C@@H]21 1786370175 JZFZWYQGHNHPCU-WFXMLNOXSA-N 466.538 0.975 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(C)=O)[C@H]2C1 1786622619 AZVOXAAPHWYZQJ-XSLAGTTESA-N 468.551 0.792 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786800262 NDFUAFGUWBDGAV-TXTZMMAHSA-N 481.594 0.028 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787399476 KSAILIQSHPAESN-WBKMXMRLSA-N 469.567 0.943 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1788660270 FTXCKCOBGCEBCA-ARSBYGGXSA-N 474.440 0.946 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1789838653 GJTDTZHSHQARAS-XSLAGTTESA-N 478.594 0.146 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791043951 YKABIPQBPUVPCZ-GJGMQZNTSA-N 461.515 0.167 30 20 JCED CC(C)(C)OC(=O)N1CC=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC1 1792115125 DWHBPNHKZLTKTN-BZSNNMDCSA-N 461.515 0.621 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1792258519 JFGNNCHPTLUEDA-OKYOBFRVSA-N 487.557 0.752 30 20 JCED COc1cccc(N2C[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)CC2=O)c1 1792427678 PVNFJZAWKUAXIS-PZTGFMGMSA-N 452.511 0.941 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1793360540 SMFGFXIHUZPYKA-BMFAXAFESA-N 492.573 0.933 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1793592205 ASELKYUBJPCPSZ-LVEJAMMSSA-N 464.563 0.572 30 20 JCED CCn1c(-n2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](C)S)C4)cc2C)cccc1=O 1795936391 WFYZCNHQZQNSIC-MFCZKXCZSA-N 459.572 0.884 30 20 JCED Cn1nc(Br)c2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)cc21 1796253178 BHDAZHJCOUPNGF-IVWMJMPLSA-N 475.299 0.627 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O 1796319991 AZKDCJXPMODNKV-CWQOZTLDSA-N 481.594 0.882 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@@H]1SC(=N)NC1=O 1796426622 LGVWLQDIQUCSDR-XHHISWJOSA-N 462.572 0.077 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(I)cnn1C 1796746430 SWTIDVGBMVRNDH-GUIRCDHDSA-N 486.310 0.266 30 20 JCED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1797756961 UHZPTMAEPLRYTM-DRXBFXEBSA-N 484.504 0.659 30 20 JCED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)NCc1ccccc1 1797809932 IREKJDGKDDUTFU-KFURKUHESA-N 484.553 0.978 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1)N1CCN(C)CC1 1799326092 JWOCFHSBARDQHJ-LOODEUFTSA-N 457.550 0.465 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1800708892 VDBHIHYXBZVDSJ-UJMXGEILSA-N 491.585 0.640 30 20 JCED C[C@H]1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CN(C(=O)OCc2ccccc2)C1 1800778445 XZCDRTGEIDIDOZ-ZEWLNRLRSA-N 497.548 0.959 30 20 JCED COCCOCCOCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1802103047 UFYQMXPEGLSEKA-DFCLLIHRSA-N 485.578 0.850 30 20 JCED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)c(=O)nc1O 1807151773 OUXBRCROBINSLL-QUCCMNQESA-N 481.557 0.640 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1808405844 OTOULFPHPACEIN-PZJWPPBQSA-N 490.630 0.795 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)[C@H]1c1cccnc1 1812425401 PHLFIWGDLRLWGY-MHOPESGUSA-N 476.533 0.811 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cn3c(nc2=O)SCC3)[nH]n1 1822202599 WXODKOJUYVTTCL-CQSZACIVSA-N 456.484 0.395 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncccn1)CCN2C(=O)OCc1ccccc1 1828725133 USZPRXLDUYIGOI-XMMPIXPASA-N 477.477 0.630 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cccc(=O)n3O)C2)C1 1829261866 GLDNSCPOUBEEMH-XMMPIXPASA-N 464.478 0.785 30 20 JCED Cc1ncc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)[nH]1 1829330477 HNRPODPLMRVRLW-XMMPIXPASA-N 479.493 0.872 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1829332209 DERVOJWFFQBZLE-HSZRJFAPSA-N 481.465 0.269 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3(c4ccc(O)cc4)CC3)C2)C1 1829762270 BZBBAWUNUFGSKD-IBLIISRWSA-N 469.538 0.739 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1829796679 CKLYVMAODMOMLJ-RXQHMNIESA-N 464.544 0.969 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208565 NQLQXNYJSSFRTH-DEOSSOPVSA-N 479.574 0.788 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831483865 QHMRBQCIYIUFLI-VWKPWSFCSA-N 475.608 0.283 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831990050 FYAOLMQXQWDCLR-XMMPIXPASA-N 464.559 0.873 30 20 JCED O=C(CCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)N1CCCC1 1832423916 KCAVXVKUWNYBOK-RZZUAFPKSA-N 460.531 0.558 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C(C)=O)[nH]n2)CCO3)c(C#N)c1 1833824900 XKAGBRFJGNZJDD-DEOSSOPVSA-N 481.509 0.805 30 20 JCED COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834128458 CVZUAMCOJHZPBZ-GIFRWZEPSA-N 462.503 0.689 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834168523 PZBCSFCTKFCKDZ-JPYJTQIMSA-N 477.562 0.960 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CS(C)(=O)=O)CC3)CC2)c(C#N)c1 1834571737 DPEPXUTWGWINOK-UHFFFAOYSA-N 476.599 0.726 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C[C@@H](F)C1 1834760470 DVZYHBYYAFJKTP-JKSBSHDWSA-N 468.526 0.952 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)NCc1ccco1 1835100369 PSXHRQKRYBLOCM-OXXZUKKGSA-N 477.517 0.960 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338537 KQWXVDIDBPWUGU-HSZRJFAPSA-N 480.562 0.678 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)CC1 1835405441 ZWBWMHUKQJKBMK-DEOSSOPVSA-N 490.004 0.919 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836138134 ZCOHWWMLMWXHJA-JPYJTQIMSA-N 492.577 0.594 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)N4CCOCC4)CC3)CC2)c1 1836258999 ADRLXFMWCDRWDK-XMMPIXPASA-N 455.559 0.394 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1837403330 KGJOESFTWCVRFT-SBUREZEXSA-N 490.582 0.769 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837482950 GWHIDJACOVUUIU-SBUREZEXSA-N 450.499 0.919 30 20 JCED O=C1CCc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)nc2N1 1837489486 IZKHKVJJVJKHKP-AREMUKBSSA-N 496.564 0.735 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1837492135 BJEYNRPAXKDZOV-KCWPFWIISA-N 494.592 0.908 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837518826 RLMDZTILSCLLLW-FYYLOGMGSA-N 481.666 0.145 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837561270 FFLNKNUIRFNONC-OJYHMXOKSA-N 490.538 0.267 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837737501 ZQYZCZVTIXLEDX-KNQAVFIVSA-N 478.933 0.433 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835885 MLVVFYIAUOSWBH-YRXLECQKSA-N 490.494 0.239 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CC2)CC1 1838288675 JTSZUOSNPRBBHK-QHCPKHFHSA-N 483.565 0.974 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]cnc3-c3cccnc3)CCO2)C1 1838493911 IFAVXPZKGVOFNY-UZUQRXQVSA-N 453.499 0.580 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn(-c5cccnc5)c4)C3)C2)c1 1838731814 ATSDORGFYFAFAP-HSZRJFAPSA-N 461.482 0.851 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN)C2)C1 1839130840 WUSUMDMDUZYEQR-VGSWGCGISA-N 452.552 0.098 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cccn4)cc3)CCO2)C1 1839336740 SUYFIEOKPWKFAS-NTKDMRAZSA-N 452.511 0.981 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c1 1839451448 SYMCZOSVOIDHPO-XMMPIXPASA-N 466.494 0.252 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(NC(C)=O)c(O)c1)CCO2 1839473566 GCKOJWAPRMLXDB-XMMPIXPASA-N 489.525 0.930 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](Cc3ccncc3)NC(=O)OC(C)(C)C)C2)C1 1839806937 IGSFMIAHMAYIPZ-CJFMBICVSA-N 486.569 0.997 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840016728 VMTZNEPDBJLKCR-JKDBKWGBSA-N 469.538 0.944 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1840108160 ACKFINSSIQOJOR-GSHUGGBRSA-N 468.551 0.047 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1840158069 DQNSAAKWAJGXOT-IIBYNOLFSA-N 450.561 0.307 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1)c1ccc(O)cc1 1840221176 BIACINUOPBYGRV-DVECYGJZSA-N 467.526 0.788 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1840819363 GXKQMOQBRLHCPF-DEOSSOPVSA-N 476.493 0.750 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1844236482 QGORVZUPFJTCTO-GOSISDBHSA-N 468.558 0.956 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC)NC(C)=O)C1 1844383489 IZFDQXMTKQBZSF-DLBZAZTESA-N 452.552 0.810 30 20 JCED CC(C)(C)OC(=O)N1CCCn2nc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)cc2C1 1846195480 VMVPYOHNGNLDIY-UHFFFAOYSA-N 471.514 0.929 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C1)C2)C(C)(C)S 1846301949 ODIRNMYOOUUUOL-DZGCQCFKSA-N 454.593 0.928 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C1 1846304269 SIFPTFSSKCHSRW-JKSUJKDBSA-N 451.520 0.685 30 20 JCED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)c1ccc(O)cc1 1846413982 OZMOLFKRPAOOPM-INIZCTEOSA-N 461.482 0.532 30 20 JCED CC(C)[C@H](C#N)N1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 110026480 JLRSCWICDQRTND-NRFANRHFSA-N 475.615 0.992 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(-c3cccnc3)noc2=O)CC1 502729899 XFPKAGRJIRTPMK-UHFFFAOYSA-N 454.468 0.303 30 20 JCED C=CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H]1CCS(=O)(=O)C1 512565907 TXSMVYBGRPFHJN-IBGZPJMESA-N 497.639 0.810 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C1CCN(C)CC1 516376097 ANYWHRLRUUJERX-OAHLLOKOSA-N 458.559 0.970 30 20 JCED CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc21 516403739 HZMGLMWJROTRDW-UHFFFAOYSA-N 481.534 0.939 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2CCc2ccccn2)CC1 523580289 VJPDSKDXVRQVTC-UHFFFAOYSA-N 474.590 0.610 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1CCc1cccs1 524336733 DQLUDSDHFJDOPD-UHFFFAOYSA-N 452.561 0.971 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CC2)cc1 603574371 ZLTPLAAWTHWJMS-UHFFFAOYSA-N 494.551 0.319 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(=O)N(C)C 604270325 VZYDFACWIJPTPA-UHFFFAOYSA-N 463.563 0.966 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)cn1 608884429 HQOMLNHOVFFGGQ-UHFFFAOYSA-N 493.501 0.573 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3C)c(=O)n2CCOC)CC1 725762954 WZPBCXPIQYNYNC-UHFFFAOYSA-N 458.559 0.671 30 20 JCED COc1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc(Cl)c1OCC(N)=O 915384562 YOBCNGMRERBKSA-UHFFFAOYSA-N 491.888 0.886 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(SC)cc3)c(=O)n2CCOC)CC1 916200114 UNBCMHAWCMFKRL-UHFFFAOYSA-N 472.636 0.945 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CC(=O)N(C)C 918729513 LPBOQRVCUZILQG-UHFFFAOYSA-N 460.943 0.465 30 20 JCED COCCS(=O)(=O)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 919154560 NPNKQOSOGHDFKV-UHFFFAOYSA-N 466.472 0.059 30 20 JCED N#Cc1ccc([C@@H](O)CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 1167997184 YESJRSNQOLEZGC-NRFANRHFSA-N 457.556 0.830 30 20 JCED CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1302462329 WNRVOUKMCCUGOT-KRWDZBQOSA-N 458.544 0.974 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(O)cc2)C1 1620170935 PENPWARCRZSRDZ-APWZRJJASA-N 450.496 0.807 30 20 JCED C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1690324395 PQLSVALKJLKXAE-SFHVURJKSA-N 483.616 0.805 30 20 JCED CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCN1CCOC 1694934787 QGZBAHZUERNONX-IBGZPJMESA-N 461.592 0.913 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)=O)C1 1698061853 WJUVVCOYZUXUTQ-OALUTQOASA-N 497.622 0.236 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1=O 1698076698 OYFRAQRDVBLGQF-FUHWJXTLSA-N 451.531 0.979 30 20 JCED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1708147800 UHGWNDVAYZTKJZ-HNNXBMFYSA-N 458.544 0.423 30 20 JCED C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1708266112 YXCPLQMVEACWRB-HXUWFJFHSA-N 496.616 0.660 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1710881000 JRKZPUHNWDEJJL-UHFFFAOYSA-N 496.615 0.635 30 20 JCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1750205025 JFOFLUMIKTZLLO-SFHVURJKSA-N 478.600 0.866 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017479 QBILYHUVFORFCU-JHBFYXRHSA-N 481.594 0.828 30 20 JCED Cn1c(=O)c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nc2ccccc21 1779101858 RMTQTHCACDKVOX-NWOJAFKDSA-N 483.525 0.906 30 20 JCED N#Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CN)C3)ccc1Br 1781076644 ILBUVIGDXMYTDG-SQGPQFPESA-N 464.364 0.734 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C1)CCO2 1783055984 ILRVOOXBDFCDHV-QHCPKHFHSA-N 460.531 0.996 30 20 JCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1783203165 UWIDFKOLMCUBKD-UGSOOPFHSA-N 451.442 0.820 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565071 ICUDPLOFPBLAQK-YADHBBJMSA-N 467.494 0.644 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1)C(C)(C)S 1783777433 FOPCANXHXHMAMN-WJONJSRFSA-N 468.620 0.946 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1784011660 NLBQKWULQXPWMG-XZOQPEGZSA-N 473.530 0.702 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784337016 ORABFCRACPEDDY-VGSWGCGISA-N 462.551 0.968 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1785327219 FDLOYOPCNVKRJC-DEOSSOPVSA-N 455.559 0.918 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1785428736 IZAGJICPPHRTLE-LDQAXMLRSA-N 477.583 0.907 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CCO2 1785429938 NHYMBSFKIMGRTF-HSZRJFAPSA-N 475.567 0.564 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786648943 USPQDXWLIVGAQC-FJIDUMEYSA-N 487.619 0.870 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)n4)[C@H]3C2)c1 1787440053 BJOZCOIYHBDQLD-OWQGQXMQSA-N 453.455 0.675 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccccc4)C[C@@H]32)CC1 1788112108 SEDNIVPSPARKSP-FKBYEOEOSA-N 473.595 0.689 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1788678318 ZAWJXRSGQGARQN-LNSCNSGOSA-N 452.471 0.740 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789917376 JKIBBDAGQQLUJF-MUGJNUQGSA-N 481.590 0.672 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Br)cc3O)[C@H]2C1 1790016473 GPHANAMCVKTKOC-PJODQICGSA-N 451.273 0.836 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]3C2)c1 1791286935 WLOMLWGCGUZQQR-HTIQSUCMSA-N 459.499 0.776 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CNC(C)=O 1793473115 WZYYCKGTDQUGBT-FCGDIQPGSA-N 478.590 0.655 30 20 JCED Cn1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(F)(F)C(F)(F)C(=O)O)c1C(F)(F)F 1793729064 PWYNVOGXEWPKDQ-DIYOJNKTSA-N 490.332 0.997 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCNC3=O)c(O)n1 1794971425 IFPDXWKPHXSAOZ-YVWYUNDQSA-N 480.525 0.363 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795533942 BSDWLNCCDUAUAT-KMOPNRPKSA-N 481.594 0.028 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2nccn2)ccc1Br 1799411268 GMKKWJHBVOOIGJ-JLVBRIDZSA-N 459.304 0.816 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cc1 1800430923 JZOSBHRBSXXSMD-HATOLVCRSA-N 490.626 0.894 30 20 JCED CC(C)[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)N1Cc2ccccc2C1=O 1800774366 XCOVRYBREAFWSH-YVCBRDFCSA-N 453.495 0.345 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)[C@H](C1CCOCC1)CN3)C2 1800776112 VLYBWVBEBVVKQM-KBVWPGPTSA-N 467.522 0.914 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800988351 LXNCBNDRUOKCTI-OWVAZHOYSA-N 473.592 0.741 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N)N1CCN(C)CC1 1801991842 ZDRZJZGYWSPQDA-YPIYEQTHSA-N 455.559 0.163 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802084703 ZASAKCDDRATHDJ-SFFUCWETSA-N 483.562 0.624 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)ccc1F 1808551676 ZIFNWBMEVHSEGK-NBCNXNJRSA-N 478.484 0.939 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1810357960 XAAMYWPEBRDNBV-UEVKYXGBSA-N 494.512 0.661 30 20 JCED CC(C)n1nc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1C(=O)O 1812873468 BSCVQDFYYYNABL-MGPUTAFESA-N 453.455 0.965 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1828029477 FIRPUHPOAZCBQH-KBPBESRZSA-N 456.528 0.599 30 20 JCED O=C1NC[C@@H](C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)O1 1828589077 CGOBUJREJRLBBQ-CPJSRVTESA-N 480.521 0.960 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1828808060 HSBHVMFEUNWLJJ-YDHSSHFGSA-N 455.515 0.075 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829626644 LESPVEWBSOSHJQ-URXFXBBRSA-N 456.543 0.862 30 20 JCED O=C1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CN1 1829952472 OROYYVNYPFOIDR-LDXXOOENSA-N 461.540 0.470 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1830064926 ZESDHVPWTAIDJC-DPSWKAHMSA-N 452.511 0.903 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1831398419 AVYJAUTYLVROBS-OPAMFIHVSA-N 482.530 0.338 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1831428033 XPZGZBPZFSQXJX-YCRPNKLZSA-N 464.475 0.660 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CCO2 1832035982 GGTDDFIWLPBLMY-UZUQRXQVSA-N 467.563 0.784 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1832728543 MQFTVFUHINSNHP-DEOSSOPVSA-N 463.494 0.453 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832751358 SLIANKMMXIBOLH-JPYJTQIMSA-N 459.568 0.966 30 20 JCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1833426306 FTECLPJJCSCAML-UHFFFAOYSA-N 459.572 0.437 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833600185 SJKMEFYFTXLUOZ-AVRDEDQJSA-N 481.571 0.128 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833615739 SIZWEQUGWBVGEM-DVECYGJZSA-N 472.542 0.027 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)c(O)n1 1833698703 LWQRACNKRSSWSJ-QFIPXVFZSA-N 477.587 0.993 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)=O)CCO2)C1 1834719905 IQDZFKHWEMUVPZ-VGSWGCGISA-N 453.536 0.891 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835365729 TYXLFQAKDCRXAZ-HTAPYJJXSA-N 482.534 0.203 30 20 JCED N=C(N)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C2)C1 1835575761 WQEOJMXQOVIKQQ-AREMUKBSSA-N 475.549 0.639 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1835768241 UMKVTLRDGLDEGD-DGEAWOGYSA-N 490.561 0.662 30 20 JCED N[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1cccnc1 1835835528 XLLKZHQBWHBWIV-DWYFBBQQSA-N 458.563 0.400 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)c(O)n1 1836125533 YAHOMNVWNQFVRX-RUZDIDTESA-N 498.536 0.999 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836888526 BSERMDIDOPFEAJ-VDTGVWRYSA-N 472.502 0.328 30 20 JCED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c1 1837116424 DECAYNLMKGTOPN-IBGZPJMESA-N 453.499 0.769 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C1)CCC2 1837446286 GFRGFMFNFSXBLZ-RZZUAFPKSA-N 458.563 0.451 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1837446816 HDCODIYBEPEFET-SKZKPWFZSA-N 462.522 0.860 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccccc1=O 1837691281 LCABYQPMIAIKLG-GKVSMKOHSA-N 490.520 0.927 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1838408563 NLLYWRGQCBBFHG-GQBLCDNYSA-N 462.547 0.848 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1838490987 QFJFYOGNLNLJDY-QHCPKHFHSA-N 451.483 0.923 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)ccn4C)C3)C2)c1 1838582545 SFAGOQUSENQZRW-XMMPIXPASA-N 466.494 0.649 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c(C#N)c1 1839131854 CRUZTSAQCVKIDI-QHCPKHFHSA-N 483.481 0.081 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4csc(N)n4)C3)C2)c(C#N)c1 1839131862 CYBKUARSXMJHSW-QFIPXVFZSA-N 471.539 0.918 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1839175743 BVEUEZTVIUVFAM-QHCPKHFHSA-N 462.547 0.545 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185757 KFHXUJLNULJGJS-OPAMFIHVSA-N 496.561 0.024 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3[N+](=O)[O-])CCO2)C1 1839232576 PFPMHWBJILXJQC-HXOBKFHXSA-N 475.498 0.641 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)cc1 1839362631 DRLGEQURZSSQOZ-VWLOTQADSA-N 488.504 0.539 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)C4)C2)C1 1839809028 OEKXAHFZZNQQAJ-HSZRJFAPSA-N 473.530 0.337 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(=O)c3ccc(Cl)s3)C2)C1 1839809804 MJFYHJXSLSJYMV-HXUWFJFHSA-N 453.948 1.000 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC(F)(F)F)c3)C2)C1 1840044711 SQRANFFGHRZMNS-HXUWFJFHSA-N 470.400 0.672 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1)c1ccc(O)cc1 1840222609 VHUAKDZKLLYNKU-NXQMDHLFSA-N 471.554 0.870 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CCO2)C1 1840361651 PGKZRGWQSPTYGJ-HXOBKFHXSA-N 458.563 0.253 30 20 JCED Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840493356 WPENVKUZJHRQIF-LLILABCDSA-N 463.535 0.738 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840597514 QGLLVVFPYBSJFL-MHECFPHRSA-N 479.574 0.665 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c2ccccc21 1840814115 PIBASCBFKRWZGR-DEOSSOPVSA-N 467.526 0.490 30 20 JCED Cc1ccn(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840818462 DOVPPASJDPQXOE-QHCPKHFHSA-N 453.499 0.599 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1 1840905884 ULAJDYCHOATEGC-DEOSSOPVSA-N 454.527 0.875 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1840907445 VKOMVIJNRMEWNG-FDDCHVKYSA-N 475.546 0.256 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3oncc3C)C2)C1 1840909172 NXYMBTHEJAASBF-GAJHUEQPSA-N 476.530 0.970 30 20 JCED CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1840928586 KBYQHGVJDNFSBB-MOLUECDUSA-N 466.579 0.704 30 20 JCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)c(C(F)(F)F)n1 1843008477 MMOWVDISPOUSCD-UHFFFAOYSA-N 472.387 0.834 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845014211 IIDGTJZBXJASPO-OAHLLOKOSA-N 474.583 0.618 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1847265389 WRGNOQFNEQHFBI-DUHFXLQASA-N 464.563 0.711 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NS(=O)(=O)CC 1847783913 XAYSXLROWDKCNQ-YVSFHVDLSA-N 472.608 0.985 30 20 JCED CCOC(=O)N1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 18662061 XFPBBRYQYRYAPW-UHFFFAOYSA-N 492.554 0.803 30 20 JCED Cc1cccc(C)c1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cscn2)c1=O 497573129 NUGLGPREQYXIST-UHFFFAOYSA-N 495.630 0.924 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 558217665 QNDQZHGNEXFTCU-UHFFFAOYSA-N 464.525 0.118 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)ccc1OC(F)F 604269132 UVDFRNXNZCARED-UHFFFAOYSA-N 492.504 0.390 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CC(=O)N(C)C 604270098 FFUPBQAXVTVYFK-UHFFFAOYSA-N 486.594 0.361 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc(F)c2)c1=O 608912871 HRUSVNRTBQRCNU-UHFFFAOYSA-N 478.571 0.160 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1C 609323720 SWNPWQIYAFTTGB-UHFFFAOYSA-N 451.932 0.773 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CCNS(C)(=O)=O 727163678 FWBCBBHRTWDWKL-UHFFFAOYSA-N 499.014 0.150 30 20 JCED C#CCNC(=O)CN1CCN(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 728572841 GBMNUNGESQQBRX-UHFFFAOYSA-N 469.995 0.286 30 20 JCED C[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(CCC#N)c1ccccc1 792638826 UJJYCKAXMUCIJN-OAHLLOKOSA-N 452.471 0.702 30 20 JCED C[C@H](NC(=O)c1cccs1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 812870533 LNUQJXHMJVDKBV-HNNXBMFYSA-N 490.563 0.814 30 20 JCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)CC[C@@H]1NC(=O)NC1=O)CCCC2 915377526 OFEJXQRHCGWYLQ-CJNGLKHVSA-N 457.487 0.887 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1ccc(S(=O)(=O)N2CCCC2)o1 915383196 DOXNUOLHWSEVKQ-UHFFFAOYSA-N 453.498 0.957 30 20 JCED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 916198746 VDGJDUUWFFTLGN-UHFFFAOYSA-N 454.464 0.877 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc2c(c1)OCCO2 917787783 LVILMUADMWRUDM-UHFFFAOYSA-N 484.559 0.701 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 918297135 FCWNTNBZZFDHNH-LNUHTHKGSA-N 491.570 0.288 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1CCCCCC1=O 918872795 RXOLQQWXEGOTAI-UHFFFAOYSA-N 450.517 0.177 30 20 JCED CCCN1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1307035995 VPTLHLQHRCPOQY-AOIWGVFYSA-N 464.640 0.797 30 20 JCED CC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 1309021518 MERBNJZFGSMGJW-KRWDZBQOSA-N 456.590 0.760 30 20 JCED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N2CCOCC2)CCO1 1316541274 VGIWUQODLBUMKM-OAHLLOKOSA-N 459.532 0.247 30 20 JCED C[C@H]1CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)C[C@@H](C)O1 1545098906 OBRSLSFWLHMQNH-YRXWBPOGSA-N 483.639 0.849 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CCN1S(C)(=O)=O 1613027115 VTSYMAMROSOKRI-GCKMJXCFSA-N 460.560 0.827 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1631649042 IYBHBDKWZKVDDN-KRWDZBQOSA-N 455.540 0.690 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C1CC1)N(C)C 1692796779 SLRLQEPNQYAZBZ-WBAXXEDZSA-N 450.613 0.405 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CCS(C)(=O)=O)C1CC1 1705681521 WPRUTNBHVUUKLB-NSHDSACASA-N 470.415 0.810 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CCO1 1711363795 QRPIKOXYCUYSPP-VQTJNVASSA-N 453.547 0.615 30 20 JCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1729070157 NSDQLRCHBAUQDA-GOSISDBHSA-N 459.576 0.948 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCC(O)CC2)CC1 1741988463 QQJXLYNNHFQMRU-IBGZPJMESA-N 495.650 0.588 30 20 JCED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)NCC(F)(F)F 1747193830 NJVHITZPFNPATC-CYBMUJFWSA-N 467.456 0.870 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)cc1OC 1748670301 ZDVKKARZLPRCBX-MRXNPFEDSA-N 456.503 0.973 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1761271940 STLHBFHBSUJPLQ-CRAIPNDOSA-N 458.610 0.638 30 20 JCED CCN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)S(C)(=O)=O 1765217944 UAFOYNVUOXDOFA-FUHWJXTLSA-N 499.663 0.028 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777887876 KCBJQLTXZGXIGB-KOSHJBKYSA-N 454.527 0.950 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780399853 ZJSPEFXUEDCGNX-OPAMFIHVSA-N 462.503 0.527 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1781090643 UOEDVYUKKGAFIY-CPJSRVTESA-N 453.587 0.957 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)Cn4nccn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1781426480 GXJFZWLHIZAEDB-JTSKRJEESA-N 460.535 0.674 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CCO2 1783046079 JGQZESUNXITONZ-MWTRTKDXSA-N 480.562 0.868 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1783485883 MKZBQLFTISMWHW-DFQYRXGOSA-N 493.557 0.062 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)O)C2)C1 1783523142 WGXMUULHODAQFM-DMPWYTOCSA-N 484.550 0.003 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)CCO2 1783901345 XZFWILVOYYJHSH-JPHBTFASSA-N 477.583 0.907 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783912032 FEDAXCHJBMTHJI-KOSHJBKYSA-N 493.605 0.962 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1784198492 JNEPLHQNPIJJSG-FHWLQOOXSA-N 482.578 0.828 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1785572548 OKGYKRGQEDJCIM-LHSJRXKWSA-N 478.575 0.940 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCNC5=O)[C@H]3C2)cc1 1786258293 PNIMDKKPQIDLPY-WFXMLNOXSA-N 462.510 0.334 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)nn3-c3cccc(=O)n3C)[C@H]2C1 1787151910 KBMNGGPSAVBNSB-IWFBPKFRSA-N 481.553 0.511 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cnn2ccncc12 1788032204 BHOVHAQJCYMOMF-UWDOHLRBSA-N 456.503 0.852 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1ccc2c(c1)CNC2=O 1788443827 BVSMTNWKZSSOKR-BPQAAXRGSA-N 453.543 0.995 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1 1789258811 UVSJCDDECMWZPE-RNVRALISSA-N 460.487 0.225 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1789953775 HYJNNFLYYDAIOB-SARNLOFESA-N 475.546 0.773 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(Cc3ccccc3)C(=O)C(F)(F)F)C[C@@H]21 1791078298 TWPNLCBLBYXLBY-BZSNNMDCSA-N 495.454 0.645 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791258236 HBVLOLCDRFWADI-STFNCZPLSA-N 491.676 0.946 30 20 JCED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)C(=O)OC(C)(C)C 1795338712 MHZOZGWKGXLQHH-OYGISIJKSA-N 468.551 0.972 30 20 JCED CCOc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cnc2c1cnn2C 1796073435 SALDFYQKBXTYKL-HGKCTWBKSA-N 483.573 0.852 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 1797117507 HKLDUNREKFINSI-SIRPWMCASA-N 457.593 0.920 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)C1 1797839252 YMUSRMBJEBNSJF-VTLVOZJLSA-N 490.557 0.660 30 20 JCED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)C2 1797969362 XEAIJHGPWOXTBN-IIZPIQPGSA-N 472.542 0.700 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799199649 LITCLNGAAQLYSG-MJJLTSLDSA-N 481.590 0.377 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 1799302539 DAWWZFVJLBYKAJ-QSNWEANLSA-N 461.559 0.877 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1799363895 LQZBUBKUSPRSND-KMOPNRPKSA-N 469.579 0.425 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1CCC2 1799969586 QFQNUBPXNDQIAB-WQDJSCAQSA-N 471.558 0.949 30 20 JCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)nc2nccn12 1799988604 QTQCTZZHTQVXNJ-RMFSNUHRSA-N 451.527 0.940 30 20 JCED COc1cc(N2CCC(C(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)CC2)ncn1 1803297685 QEIGFUXVFWJHFH-CYFREDJKSA-N 492.536 0.891 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1808449031 BIOVTMPMJYJWDD-QPPBQGQZSA-N 485.585 0.761 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1808450126 LGBYCXSFSMOHDY-RCZSKKKRSA-N 460.531 0.247 30 20 JCED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1811367414 MHBXPGKVTYGYRD-UPVQGACJSA-N 465.554 0.754 30 20 JCED CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2ccccc2C#N)[nH]n1)C(=O)C(=O)O 1821718154 SXOUNWBOHGEUGO-MRXNPFEDSA-N 468.470 0.895 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1822928277 SQCBLKIAGXYLND-ORAYPTAESA-N 452.533 0.215 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1829332458 MDDJQGZAGBISBW-NTKDMRAZSA-N 469.494 0.706 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccnc3C)C2)C1 1829764201 HEDUVOYRUCNATG-QZOBCFMQSA-N 456.543 0.637 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)cc1 1829905484 AHWUBFYLRMAMGJ-DEOSSOPVSA-N 465.510 0.686 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1829945119 RREJTZGFAPQOCP-HYBUGGRVSA-N 454.527 0.473 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830050662 NZSWOMOWNMUGEV-GAJHUEQPSA-N 478.546 0.571 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(S(C)(=O)=O)c1)CCO2 1830184565 MVSMESZTBHUEAD-QHCPKHFHSA-N 494.566 0.670 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830470257 RNCNTJRSRNTDTH-JOCHJYFZSA-N 479.002 0.632 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831318240 FZAGOZCCPRNHIG-FDDCHVKYSA-N 492.598 0.275 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1831396258 IGHVJMKUKDYODN-WAIKUNEKSA-N 456.499 0.387 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1831435767 YRJAJHBQTKOWOO-WDKBRQFPSA-N 461.515 0.804 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1831486772 HJGLZGNDCLXNKI-RXVVDRJESA-N 485.628 0.651 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1831496507 XXNLAFURFRMQDM-NFBKMPQASA-N 462.616 0.794 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1831997601 DKFTVUNVYNGWEU-DVECYGJZSA-N 490.557 0.859 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1 1833107221 KUGNFOCYGCRCIW-HSZRJFAPSA-N 469.586 0.823 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)c3cnnn3C)CC2)CC1 1833899939 AGAKBANGVIXSCO-LJQANCHMSA-N 487.605 0.917 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncn(-c5cccc(F)c5)n4)C3)C2)CC1 1835341053 NESGLGNNYANJEZ-QFIPXVFZSA-N 454.462 0.780 30 20 JCED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)CC3)CC2)CC1 1835482229 JCAJIYBPWDOQAH-UHFFFAOYSA-N 492.628 0.867 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1835674661 CMOKEMRICVVOGA-MSOLQXFVSA-N 450.458 0.038 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)cc(C(F)(F)F)c1 1835748999 YDPQFNMKBRKEQE-UTKZUKDTSA-N 497.474 0.240 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(N)s2)CCO3)c(C#N)c1 1835845640 VZUIMXJXMMHZIU-QFIPXVFZSA-N 471.539 0.918 30 20 JCED Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n1 1836064203 JBVZHEHSPBNWAX-QHCPKHFHSA-N 463.498 0.481 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)c(O)n1 1836669210 MIVHPSYODJTGAN-RUZDIDTESA-N 487.601 0.223 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836971550 WXOMPDUKGHTCEA-DHNIJCFSSA-N 460.535 0.207 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](OC(C)=O)C(C)C)CCO2 1837221358 KAGMKVHRQYXWCH-DENIHFKCSA-N 454.520 0.540 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)N1C[C@H]2C[C@@H]2C1 1837286792 JLULOEDRSMZYOB-UGOWRUBQSA-N 478.553 0.845 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1837400389 DKWXKHVEIVKOHY-XXBNENTESA-N 493.513 0.952 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1)c1ccccc1 1837611824 MMJFBEUITMVGJW-NLFFAJNJSA-N 482.537 0.192 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc[n+]([O-])cc4)CCO3)C2)c(C(F)(F)F)n1 1838334793 KMGVJSQCERIPGI-OAQYLSRUSA-N 491.426 0.989 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1838499399 BEWJUGBSTLMTII-NRFANRHFSA-N 459.528 0.079 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)[nH]n3)CCO2)C1 1838666454 URLHWFDGQCOBHJ-HXOBKFHXSA-N 475.546 0.705 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccc(OC)c1OC)CCO2 1838840909 BLTVZDQRCSBOJA-HSZRJFAPSA-N 477.514 0.678 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1839174381 YGIQDXPXFFSJRI-QFIPXVFZSA-N 479.555 0.444 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2C)CCO3)c(O)n1 1839213708 VFDNVBBPAYEQJO-YADARESESA-N 472.542 0.597 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1839224864 QRKUXBUOZMKMKN-AOMKIAJQSA-N 462.503 0.724 30 20 JCED COc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1OC 1839375823 NJCOLMBTAQDKAG-OAQYLSRUSA-N 450.419 0.001 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1839477047 SYIWSEYOTZKTPO-FQEVSTJZSA-N 453.492 0.603 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839648239 BTQCQTDPJQMCMW-ARKLPKAPSA-N 466.498 0.544 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839895585 JNPWBOKAXALMBY-UZUQRXQVSA-N 495.573 0.865 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCOC[C@]4(CN(C(=O)[C@H](C)S)CCO4)C3)CC2=O)c1 1840156970 ZUDCPPQHGNBDSV-MFEFFIJZSA-N 477.583 0.823 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1840162131 MYKXZWZDENLXPD-HXPMCKFVSA-N 453.473 0.712 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1840295605 XFTZROBZBCIQHH-XMMPIXPASA-N 484.590 0.333 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cscn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840344529 ITZMVDZXECRSKU-VGSWGCGISA-N 493.586 0.949 30 20 JCED Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840388515 XJGYNIZVPDXBLV-FLFXYHILSA-N 477.562 0.957 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1840819598 UXSMXFZGWTXKOO-QHCPKHFHSA-N 477.481 0.145 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1840843911 SYVLYXNVWPJXFO-NRFANRHFSA-N 452.504 0.713 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840861387 XCSYXSMAHWOMLQ-RPWUZVMVSA-N 493.557 0.568 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1841746799 GISGTUIMBWAJBP-IBGZPJMESA-N 477.606 0.823 30 20 JCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C1 1842872175 GTIBYEKIIFGEDZ-IAGOWNOFSA-N 480.610 0.937 30 20 JCED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1)NC(=O)OC(C)(C)C 1846461914 ZHGXIDINWOZOQG-MRXNPFEDSA-N 460.531 0.974 30 20 JCED CN1CCN(S(=O)(=O)c2ccc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2)CC1 15171072 WECJVWWRWXVVPX-UHFFFAOYSA-N 490.611 0.400 30 20 JCED CS(=O)(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 104993468 TZGKQGZDUZQENB-UHFFFAOYSA-N 463.537 0.874 30 20 JCED C=CCN([C@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 596229872 SEKSYSVVYMHSIG-CYBMUJFWSA-N 468.499 0.948 30 20 JCED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 603463787 BJNVTVFMGKQEOF-UHFFFAOYSA-N 484.581 0.162 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CC(=O)N(C)C 604269981 LJVIKDKRYHKJQQ-UHFFFAOYSA-N 456.568 0.352 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(=O)N(C)C 604270287 LPTVBYVWODOJQB-UHFFFAOYSA-N 470.576 0.478 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)sc(=Cc2cnn(C)c2)c1=O 725763948 BQFAJDJULHGZPV-UHFFFAOYSA-N 492.605 0.532 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)C1=O 726043319 SBEQWIMUCMBJHP-UHFFFAOYSA-N 455.431 0.046 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(C(N)=O)cc1 726576013 TYXAKKDJWJLWOF-UHFFFAOYSA-N 499.556 0.606 30 20 JCED N#CC(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577796 VRWOSEQRKUFIJK-UHFFFAOYSA-N 464.528 0.567 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3c(C)nn(C)c3C)c2=O)c1 726581811 KMVVLJMOTIPIJS-UHFFFAOYSA-N 461.547 0.496 30 20 JCED C#CCN(C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)[C@@H]1CCS(=O)(=O)C1 729334835 WKRWIDIYKNFIOA-GOSISDBHSA-N 472.585 0.233 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2Cl)c1=O 729675321 ZTHODXAEFSBZIG-UHFFFAOYSA-N 465.984 0.733 30 20 JCED C#CCOc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 731125141 ZWWWQFYOMIWOIZ-UHFFFAOYSA-N 471.539 0.300 30 20 JCED CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 853671259 KSQUYSIAEVNQGH-CQSZACIVSA-N 466.516 0.348 30 20 JCED CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 913173823 QAJGQNVWCODPTK-MJGOQNOKSA-N 471.557 0.098 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 915873350 GQKPCEUJJMRSDC-SAZKUCFMSA-N 495.583 0.603 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)c1 918279126 NTENPZXQPAAREU-SAZKUCFMSA-N 484.600 0.769 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1cc(Br)cn1 1303866970 MHRXNXMMOHXAAB-TZMCWYRMSA-N 487.384 0.666 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507785443 OGBPNIUUUIAJRR-DZGCQCFKSA-N 491.412 0.577 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1508425126 PPFODENPRMCZOO-ZIAGYGMSSA-N 467.518 0.701 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1555817947 MFCHZSRZTHRGIF-GOSISDBHSA-N 459.576 0.524 30 20 JCED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 1711275503 LAZUDSMPMLUMHP-JPYJTQIMSA-N 453.547 0.887 30 20 JCED CN(C)C(=O)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1729303328 SEZHMTHQPKVVHO-IBGZPJMESA-N 489.602 0.987 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc(Br)cn1 1741943934 JJVAASHNOZBYAQ-AAEUAGOBSA-N 473.357 0.276 30 20 JCED CC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1763373603 DBCXZMNKMDWJSR-UWJYYQICSA-N 459.576 0.934 30 20 JCED COCCN(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1769780754 QWBAYAMPORFBOO-GHTZIAJQSA-N 483.639 0.709 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)CC1 1778357116 TUTGRKNSORVCDI-DEOSSOPVSA-N 471.533 0.234 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021458 QDBJBSMBCOVYBF-DOWHCJKDSA-N 453.540 0.131 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781380834 SJPGONSPMHCTIR-RDPSFJRHSA-N 486.606 0.476 30 20 JCED CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1)C(=O)C(=O)O 1783915797 KQAOHIKBJQKCAA-FHWLQOOXSA-N 456.499 0.014 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1784503725 DIFJTUHXDGWZDL-LAQRGFTBSA-N 462.572 0.462 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784593301 YCQZXGRZFMYOPO-CKJXQJPGSA-N 463.539 0.533 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1785574472 LBKXLLNIMVENMW-QKKBWIMNSA-N 476.490 0.678 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#Cc4ccccc4)[C@H]3C2)c(=O)nc1O 1786563541 STVTYOVMBRZSAT-UFYCRDLUSA-N 450.495 0.289 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1788594341 PSWUDTKYDJHSQS-VJANTYMQSA-N 450.656 0.610 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1789950560 QVNIOMBHVILORH-XWSJACJDSA-N 462.609 0.371 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCOCC4)c3)[C@H]2C1 1790117291 RULLPPZPRMOEEM-CNCKMIOJSA-N 482.581 0.975 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21)n1cnnn1 1791686055 PHJBPJLUCVBOMC-APYUEPQZSA-N 478.435 0.813 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1792261242 DGLXLZNSGAIKLD-BMFAXAFESA-N 488.541 0.596 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(C)=O 1792539732 ZKDBUZUPDFMEKH-APAFKAMOSA-N 464.563 0.407 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1793385608 WLPZRTMZKIIXOA-JJTUDDRGSA-N 459.609 0.806 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)cn1 1797783368 OANHOFWKRTUEPP-HATOLVCRSA-N 489.594 0.528 30 20 JCED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)cn2[nH]cnc(=O)c12 1798467670 OYDRUDDVUDUPTO-CCWDJLKJSA-N 486.492 0.596 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC=O 1799288176 SJJXVXCXUKTMMT-OYSTVDSJSA-N 464.563 0.407 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-c2ccc(O)nn2)cc1 1799838048 IBDKOBOXSZPZLI-NFRAVTBUSA-N 477.521 0.911 30 20 JCED CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800919227 OUIAMDDJGFERCV-RCJHGTSTSA-N 451.520 0.461 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1802129092 YZHVNMUQLZCNBT-WHZJULEDSA-N 491.633 0.129 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1804089519 KMGXTHULNXNOMC-YZAJHNDGSA-N 452.471 0.351 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1)C2 1812880843 SLLIBNFFTFJOFY-IEGUWTFLSA-N 493.520 0.811 30 20 JCED NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C/N=C/c1ccco1)CC2 1821036453 FNQJVLOTUGXZEF-LCRYFQBLSA-N 453.484 0.970 30 20 JCED Cn1c(=O)n(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)c2ccccc21 1822201700 QPDBVMKMRUUPPZ-OAHLLOKOSA-N 450.455 0.843 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827048016 YPSYNGULSFOFMQ-SFHVURJKSA-N 468.562 0.933 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCN2C(=O)OCc1ccccc1 1828589497 KRGQLSYRIIGCFI-FDDCHVKYSA-N 469.498 0.851 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828632115 DUUIBWINHWBFSB-HOYKHHGWSA-N 483.525 0.613 30 20 JCED CN[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1)C(=O)O 1828806013 IEACHKOPZQKFKV-MBSDFSHPSA-N 471.514 0.415 30 20 JCED CN1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCN3C(=O)OCc3ccccc3)C2)CC1 1828924987 LBTPIEVEMLIBCU-SANMLTNESA-N 496.612 0.990 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1829263104 IXHPJIQVHDKEEV-FDDCHVKYSA-N 456.499 0.134 30 20 JCED CC[C@H](C)[C@@H](N)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332485 NRRKNEJTYJQBDD-FKRCVWNDSA-N 484.553 0.900 30 20 JCED CC(=O)NCCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334448 IWVIPQCNJILEKN-DEOSSOPVSA-N 484.509 0.053 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1cncn1 1829391881 RJVTXYBMKHEGSJ-KOSHJBKYSA-N 494.508 0.379 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(F)(F)F)n3C)C2)C1 1829766013 FVUZIRYRFXUQKS-IZRJCCQOSA-N 484.475 0.972 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1829771009 ALZKPNMPTUKMLV-QJKPHDSHSA-N 465.453 0.599 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)n1cncn1 1830464812 UBDOIXBXCUPCGQ-MBSDFSHPSA-N 452.515 0.800 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1831208948 BWRLGFUXUIRGNJ-XMMPIXPASA-N 453.495 0.854 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1831387286 MQLDBYBHNUUFRW-AVRWGWEMSA-N 483.521 0.167 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)C2)C1 1831387434 HWHZABZRMDVNEO-HNNYQGJMSA-N 491.585 0.879 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1831402490 ISOUKJSKDNMSBK-KPCPBYSCSA-N 489.544 0.368 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1831998752 SHYSLAMGQUFOCG-HXOBKFHXSA-N 493.561 0.846 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)c1 1832375379 QORVADSEOGHUQR-HSZRJFAPSA-N 469.498 0.245 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)CCO2 1833566846 XPKCQOMCMFJJCG-DEOSSOPVSA-N 483.500 0.804 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncn(C)n2)CCO3)cc1C#N 1833886446 VIFIXCWDSHQWPV-QHCPKHFHSA-N 468.514 0.858 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834177487 MJMQAUOZICTXBR-FDDCHVKYSA-N 475.546 0.407 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835354785 BGFITAFPXPVYNX-TVTNDZMWSA-N 468.551 0.675 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CNc3ccc(F)cc3)CCO2)C1 1835581537 YNVVJIOBSVILLE-QHCPKHFHSA-N 461.538 0.976 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)NC(=O)NCC)CCO3)c(O)n1 1837375126 HSTQOBDGOXTAHI-XDHUDOTRSA-N 489.573 0.683 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837529362 RWXKRTGEFZJUTR-FAYQCXCPSA-N 472.502 0.328 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n[nH]1 1837590542 MWNUHYUYZQSTGC-HSZRJFAPSA-N 463.498 0.779 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)[C@@H](O)N5CCOCC5)CC4)CC3)c2c1 1838404799 RNOXEVSDQHSVFC-RUZDIDTESA-N 496.568 0.697 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1838569062 QKKLOTHJNBKSQZ-JRCVBZDQSA-N 499.520 0.618 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1838569063 QKKLOTHJNBKSQZ-MDQJKVKYSA-N 499.520 0.618 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNCP(=O)(O)O)C3)C2)c1Cl 1838595879 HZFZRPDRCVQMRA-IBGZPJMESA-N 486.849 0.006 30 20 JCED Cc1c(Br)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)nn1C 1838768511 KCNCTZKFRUFQEP-FQEVSTJZSA-N 465.348 0.974 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1839109687 QZTYJRFTUKKODY-YTZAWJCFSA-N 492.573 0.364 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1839225957 ZPEOSODWJTYBOA-ZHRRBRCNSA-N 491.570 0.935 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)cc(C(F)(F)F)c1 1839442895 HDWNFNRVOSXZLY-OAQYLSRUSA-N 494.474 0.487 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839624497 KCRCNNMCIZXOAX-QVKFZJNVSA-N 462.482 0.739 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1839670512 MHNNGBYUXUHXLM-QFIPXVFZSA-N 471.445 0.342 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839861660 FFHMGNABSLUBQT-AOMKIAJQSA-N 468.551 0.178 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840048230 XPWCJHVLUGJMCE-OKPAFVPDSA-N 492.573 0.505 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCCCC2=O)CCO3)c1 1840103779 RMFOBTASYHLBIR-RUZDIDTESA-N 468.554 0.960 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CCO3)C2)C1 1840112011 VJONJMOXGRVIHS-KOSHJBKYSA-N 495.573 0.865 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC=CC[C@@H]1C(=O)OC)CCO2 1840143548 XYCRLAXNBRSSEQ-JXQFQVJHSA-N 478.542 0.708 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840174450 FGAUJCCAGPGQJE-FGZHOGPDSA-N 453.536 0.703 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1840176118 VZPKRFJYKRZPKD-OPAMFIHVSA-N 451.520 0.945 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1)c1ccc(O)cc1 1840222040 AKPJYRYZVQDPOI-HYBUGGRVSA-N 457.527 0.482 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1840294077 MKFJOOMGYYVEJX-QHCPKHFHSA-N 455.515 0.595 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840363281 RFQJVPMBTPJJFK-DFBJGRDBSA-N 470.570 0.670 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)c(C)c(OC)c1)CCO2 1840754969 OFUCTQIXQJMDDD-CVUHLLMESA-N 487.553 0.941 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)NC(=O)OC(C)(C)C 1840795396 FZFIRABTGXPISX-GSRZOBFVSA-N 496.605 0.025 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1840819879 LBFSFTLCCXQOBI-DEOSSOPVSA-N 476.493 0.979 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1841746702 ZEOJKCGTUNAJSR-CQSZACIVSA-N 460.468 0.384 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1841747360 OOXWPCNWXFMHEJ-LSDHHAIUSA-N 454.524 0.724 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848129481 MSLXQVQZACHFEW-YRXWBPOGSA-N 483.525 0.657 30 20 JCED Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c(=O)c(C#N)c1C 505785932 XHYOCRZMAFDKPJ-UHFFFAOYSA-N 451.455 0.543 30 20 JCED C[C@@H]1CN(C[C@H]2CCCN2CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 520044271 DYHJQSOAMCVFEK-KCZVDYSFSA-N 489.642 0.965 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(C(N)=O)cc1 522530698 QRTNBWXRKOSKCR-UHFFFAOYSA-N 454.533 0.325 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 523256802 WOOAYJNMMDFLAZ-AWEZNQCLSA-N 485.591 0.457 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(N)=O 578649209 IBCNWJQOWITJBD-UHFFFAOYSA-N 450.467 0.272 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCc1cccnc1 609038761 LPBNBFFBDPMUFW-UHFFFAOYSA-N 492.557 0.584 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 728570547 DNAAKEDLZUOBKE-OALUTQOASA-N 459.566 0.423 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 857836139 LIUHREALPUJHKB-HUUCEWRRSA-N 493.563 0.668 30 20 JCED CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 913300421 IJQZNTLOXMWSNM-HOCLYGCPSA-N 451.501 0.570 30 20 JCED COc1ccc(N2CCN(C(=O)C(C#N)=c3sc(=Cc4ccnn4C)c(=O)n3C3CC3)CC2)cc1 914564794 CZMAJZKFRSLLCQ-UHFFFAOYSA-N 490.589 0.839 30 20 JCED CCN=c1nc(NCC)nc2[nH]nc(SCC(=O)N3CCN(c4cc(C#N)ccn4)CC3)n12 917409975 NOKFKAHXMLDDDE-UHFFFAOYSA-N 467.563 0.512 30 20 JCED CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 918639345 AFAQQQHVLQDHLD-OAHLLOKOSA-N 456.590 0.826 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1152029547 PVUPSEBZMGOKRD-CQSZACIVSA-N 459.503 0.812 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)Nc2ccc(F)cc2)C1 1302478563 JQOZKWSZBSBABX-UZLBHIALSA-N 495.512 0.831 30 20 JCED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1=O 1313920108 BKPZELHKTDNXPG-UHFFFAOYSA-N 467.530 0.646 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cc(C)no2)CC1 1507869596 WJKKOFOLXUXUKT-QGZVFWFLSA-N 485.998 0.982 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1652850684 JIYJAKVXSJNNTG-SCTDSRPQSA-N 450.561 0.418 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CCCO 1692662874 JCGHOZYDKIVOEX-KURKYZTESA-N 469.612 0.196 30 20 JCED CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1727357505 XIUXDEDELBYOJE-IRXDYDNUSA-N 468.580 0.547 30 20 JCED CO[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730356182 AHRBPMWHYRGLOH-XYVMCAHJSA-N 451.597 0.880 30 20 JCED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1730998108 JMRISTDABZDYLB-SFHVURJKSA-N 458.544 0.689 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1745894982 MJKLDXKOKNRCSF-UHFFFAOYSA-N 462.514 0.863 30 20 JCED CO[C@@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)CCOC1 1748502078 MHKXVECOFWHCMW-OXJNMPFZSA-N 468.580 0.547 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1cccs1 1761483433 YGVGYXJAUQZNPF-SJCJKPOMSA-N 455.541 0.822 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1770343759 MWGHILMOTUAIKC-UHFFFAOYSA-N 478.600 0.866 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779417429 BXLSQKQMZQXVCA-MEVOGMNCSA-N 462.547 0.888 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335310 YMLPSPSBQGTZNK-VGOFRKELSA-N 461.519 0.870 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(F)c(C#N)c2)C1 1780752996 NYMBCKFIQRYNBG-WIYYLYMNSA-N 451.520 0.798 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782671157 BXIGBZHSPMTLFR-QMHKHESXSA-N 491.545 0.860 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1783448215 HVVTWGDTMFTXBI-MFRKOBLRSA-N 488.585 0.932 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1783770978 JUUCBOCJQPSZMH-VGOFRKELSA-N 462.551 0.968 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1783784033 KYPNCBDTCQZMAC-YGKZAACZSA-N 483.562 0.864 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)CC)[C@H]2C1 1784453252 LBIDNBMLDSXEGO-FJIDUMEYSA-N 485.603 0.317 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)COc4cccnn4)C3)C2)c(C#N)c1 1784459450 YDNVVRCMQLOUGV-HSZRJFAPSA-N 451.483 0.808 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2)NC(=O)OC(C)(C)C 1785302477 SPIWKLVQTQLMBW-PBPSECFOSA-N 493.561 0.274 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21 1788657098 ZPOLZGPGGKXUBH-KPUHFJPUSA-N 465.482 0.905 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc(F)c(C#N)c4)C[C@@H]32)no1 1788671489 GOZQLQWKAOGHKM-MDKPJZGXSA-N 483.500 0.946 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21 1789904326 KGCJSYBGDVAPGE-VMXHOPILSA-N 496.605 0.888 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C[C@@H]21 1791259054 MOWDNBGQONPMHU-HMDCTGQHSA-N 457.593 0.920 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C(=O)OCC)c1)C2 1792489641 BOMLBEXSBVJDBI-OSQPQIOTSA-N 456.499 0.320 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)C2 1793316332 LOWDAIXQQAAXHS-RMYQPGKMSA-N 492.598 0.876 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1793340125 LPCXITPBWFFBOT-CVFMPKEZSA-N 467.522 0.230 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2 1793342849 WBNKFVLJCXSBMX-UYTYNIKBSA-N 453.536 0.154 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1793379977 GCXXPTMZIQOACG-ZHCJQAHYSA-N 459.609 0.806 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCc3nc(O)nc(O)c3C2)cc1 1794112305 NUDYGECWOGZMGJ-LJCCNALRSA-N 463.494 0.768 30 20 JCED CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1795464785 DTGVNNABWSEABJ-LXTVHRRPSA-N 472.608 0.266 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1797808988 VUZSWUWNCRJSEN-WRXUOFQVSA-N 451.455 0.515 30 20 JCED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C2 1800108701 OGBFMCXCVZRBOA-BCDXTJNWSA-N 455.577 0.806 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)C(=O)C1 1801987712 QNDPWRRQIQYEKO-XEMDLRDOSA-N 489.573 0.349 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)NC)C2 1802138655 PHECXRYFRUAOEP-XYKMGWITSA-N 450.536 0.182 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1810278827 MDIZQGMEALPZMF-AGNJFEFDSA-N 455.519 0.111 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)sc2C1 1818585050 DPHGEQDGNWSMGP-SNVBAGLBSA-N 477.462 0.341 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1819452292 JIFUUHUUWNJPIE-LEWUWPJKSA-N 483.489 0.976 30 20 JCED COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2 1820185160 DLNBCMKIVFTPRY-HIFRSBDPSA-N 450.565 0.488 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1823746173 WJPYFVRBUDOQMX-BLGZVQDTSA-N 468.620 0.792 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1828581091 YCOICCGXPSDTII-FHAGJXEFSA-N 484.553 0.611 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCN2C(=O)OCc2ccccc2)C1 1829014067 MQWRBXCBMVWYRJ-YADARESESA-N 497.556 0.716 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)[C@@H](N)CN)C3)C2)c1 1829181436 JZOHYUGDKLUKEW-CYFREDJKSA-N 479.541 0.238 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1829353056 OVJQPZLNVOZMRF-JOCHJYFZSA-N 453.503 0.701 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cc3ccncc3)C2)C1 1829771039 BSTNYEJPHNAHGI-LQWFFAPYSA-N 456.543 0.575 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC[C@@H]5CCC(=O)N5C4)C3)C2)cc1 1829906029 QQZAQWXTZIAZFR-XLGIIRLISA-N 480.565 0.958 30 20 JCED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468943 YNSWTYUGVKWPBF-QHCPKHFHSA-N 461.946 0.920 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1)C(C)(C)C 1831095142 HPSQOGNQTGLETR-CDMIOBSGSA-N 454.568 0.795 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1831406771 DWJJDURMYHOCNS-NTKDMRAZSA-N 498.621 0.668 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)cc(C(F)(F)F)c1 1831575979 AKVFZHFDKZABKT-JXFKEZNVSA-N 482.415 0.755 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)cc1 1833039865 IMQUHICPMUMTCF-UHFFFAOYSA-N 480.569 0.614 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(OC)nn2C)CCO3)c1 1833447510 KZLORXVXQAMMRC-HSZRJFAPSA-N 469.498 0.693 30 20 JCED COc1cc(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)n(C)n1 1834715534 PAXNTBYXKKOEJT-UHFFFAOYSA-N 459.595 0.896 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCN2CCOCC2)CCO3)cc1 1835439494 KQMYTOQBAYLXLC-RUZDIDTESA-N 470.570 0.670 30 20 JCED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1835440720 HHMUJOOLGKMQSQ-UHFFFAOYSA-N 467.636 0.779 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)COc4ccc(O)nn4)CC3)CC2)c1 1836171635 RXSZTCHPVAZCIX-UHFFFAOYSA-N 453.503 0.646 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1)c1cccs1 1836520503 JTGVZMNJOHNBRP-WUUFJKRQSA-N 477.568 0.854 30 20 JCED Cc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1F 1837524911 PDPOOXGKIVXNJA-FCKCSMDESA-N 467.498 0.467 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837529811 ZDVHFHLFIGIKOK-VCGLIYPTSA-N 472.502 0.557 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1837531030 WHBVFDXIORTDJI-NOIVPASESA-N 463.487 0.697 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1C 1837531584 QAUQJAARQYDSGS-WCNTUGILSA-N 465.507 0.028 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837531839 XUKWOSOUGQCLHW-MFBSEBAMSA-N 465.463 0.522 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=Cc4ccccc4NC(=O)C3)CCO2)C1 1838443292 HTCIMGQVQVDLML-AVRWGWEMSA-N 467.522 0.907 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1 1838740880 YXUYMIYYRPTCBC-JOCHJYFZSA-N 490.513 0.813 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4ccccc4=O)C3)C2)c(C#N)c1 1839132655 LCPZCRKHFUILKZ-SIBVEZHUSA-N 494.548 0.989 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)nc4)C3)C2)c(C#N)c1 1839133127 ZTURGVOOVMIHIF-DEOSSOPVSA-N 466.494 0.980 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1839174056 CJZGUPPNJWTDGL-HSZRJFAPSA-N 474.514 0.619 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc(C(F)(F)F)c1 1839443414 GJXUEYPUUHHJDI-FQEVSTJZSA-N 465.384 0.735 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)c(C(=O)O)c(C)c1)CCO2 1839479770 XVSPQQPGDVMMAJ-UOUGDEPUSA-N 485.537 0.930 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5csc(N)n5)C4)C3)c2c1 1839487546 AUHCJISWQFDMAJ-OAQYLSRUSA-N 467.511 0.857 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CN(CC)CC)CCO2 1839674234 OZHPBKFBXJUYEZ-SFAKIEOFSA-N 450.580 0.279 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1839881937 OPUVAKMYQKQNRH-PDOGEWKWSA-N 496.605 0.827 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1)c1ccc(O)cc1 1840219630 VQRJQJNKDJCHLF-WXVUKLJWSA-N 471.510 0.454 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840252276 SWYLHUKDVSCJGI-BSRJHKFKSA-N 467.563 0.779 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1840908702 OONPRAVEAYQBPD-STSQHVNTSA-N 465.547 0.396 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COc1ccc(O)nn1)C2 1847070990 NPXGPQHMDDUIPX-OAHLLOKOSA-N 459.503 0.681 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1=O 14344931 QSGBRRSLZRUFAR-GASCZTMLSA-N 475.527 0.338 30 20 JCED COCCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 106034405 LOQMQTRTELIHMX-UHFFFAOYSA-N 482.545 0.918 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1F 502051299 QRBZSHPIPDFHED-UHFFFAOYSA-N 459.478 0.566 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2C)c1=O 507079496 OCGYNHQHBOELHB-UHFFFAOYSA-N 456.543 0.495 30 20 JCED C[C@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)o1 514521013 JDXFSEVACBRSJV-YJBOKZPZSA-N 468.579 0.913 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1cnn(CC)c1 523864639 YFLRUHGVZAKYAC-UHFFFAOYSA-N 465.535 0.916 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604118565 MHOKUVRGNBMVPE-UHFFFAOYSA-N 489.575 0.048 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c(Cl)c1OC 609323278 FJKMNBBWGIMEPH-UHFFFAOYSA-N 492.985 0.696 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC3CCN(CC#N)CC3)CC2)cc1 609332640 NNULHVYBCTWGFD-UHFFFAOYSA-N 461.588 0.712 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1=O 726043008 QIUHPOCDSKLVIG-UHFFFAOYSA-N 457.848 0.202 30 20 JCED CC(=O)NCc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 749869893 ROURHMIKAPKSRM-UHFFFAOYSA-N 484.534 0.884 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CCOC 797641749 PFJRRYDKDOXYKG-UHFFFAOYSA-N 471.457 0.720 30 20 JCED CC(C)[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(N)=O)C1 876675173 FORHSSIFGLIHJG-KDOFPFPSSA-N 464.544 0.407 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917780353 HUUXBRIBLVHRNP-UHFFFAOYSA-N 486.642 0.613 30 20 JCED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COC(=O)CNC(=O)CNC(C)=O)cc1 919508476 SKCJPAHBNGCOIJ-UHFFFAOYSA-N 455.471 0.708 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)CC2)o1 919542775 UQQMTWUBAXRFQN-UHFFFAOYSA-N 499.505 0.667 30 20 JCED C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NN=Cc3nc4c(c(O)nc(=O)n4C)n3C)nc2)C1 920368317 MLUMHPXGZIYAPA-STQMWFEESA-N 474.547 0.880 30 20 JCED CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1293638436 KPHQTXOAIJDEON-UWJYYQICSA-N 461.544 0.894 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1510115749 RVENMKYPIXSLPK-RTBURBONSA-N 495.650 0.709 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1515994867 UCZQJLLKKIBTOR-UHFFFAOYSA-N 485.614 0.900 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 1523933769 NXOUDMXDRKRBSU-KRWDZBQOSA-N 459.528 0.825 30 20 JCED C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1539793746 LMDQPULYUJUVRE-AWEZNQCLSA-N 453.956 0.942 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1547765403 XAKUOJDJVYFXSH-LJQANCHMSA-N 485.614 0.900 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1COCCO1 1611713671 MIEPJBPGPOETOW-IPELMVKDSA-N 476.559 0.753 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1620173772 OIQYGGYBLYTTSD-UHFFFAOYSA-N 487.586 0.441 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N(CCC#N)CCN1CCOCC1 1631463906 SWPACSBMLCUZEK-SFHVURJKSA-N 451.568 0.967 30 20 JCED COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1697923115 KSPOAOBEACUAFV-RUZDIDTESA-N 497.600 0.585 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1706935840 ZNEPQJNZVYNBEI-MDZRGWNJSA-N 470.621 0.734 30 20 JCED CCc1noc(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1764979085 FVDLPYSBWANENY-APWZRJJASA-N 467.527 0.960 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778273027 JHZYMAMIELIKLH-FLJZWSDKSA-N 482.581 0.576 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778866593 HCQXUGVPTAICJW-REWPJTCUSA-N 455.515 0.833 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn2[nH]cnc(=O)c12 1779020482 PFMXTNKNQYOAAJ-IBYPTGSDSA-N 455.519 0.246 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c(C#N)c1 1780060054 IPBONYPEEFXEIN-VWLOTQADSA-N 488.504 0.656 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)c(O)n1 1781094126 JAFSWDAODRDBPX-CLOONOSVSA-N 471.602 0.985 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1781165533 LWNSANAORYJQOC-XFAGBWLFSA-N 476.574 0.792 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1781310802 ULOSZCCUVWCGBO-DVECYGJZSA-N 472.542 0.776 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1781396979 XEFVZEMRSLYORU-JLHGSKIFSA-N 470.567 0.893 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781861076 NFNMJBPWQFFQRN-HRAATJIYSA-N 455.508 0.169 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1C(=O)OCCO)C2 1782013534 SXGQSQVLILOFCY-WZONZLPQSA-N 458.467 0.051 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783913394 VZOUUXWMKBXBFZ-SEVLPDGMSA-N 476.599 0.798 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C[C@@H]21 1784483368 TWYWFNADJBHKCA-FKSLSLAPSA-N 495.573 0.461 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784838105 KKWOTPCMTBVQOI-XSLAGTTESA-N 463.531 0.844 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)CC1 1785345645 VEBAFKMACUUOOZ-HSZRJFAPSA-N 463.579 0.919 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)C1 1786700097 CCYOXEAKUKGZFU-XLAORIBOSA-N 462.547 0.906 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(C(F)(F)F)cn3)[C@H]2C1 1787243063 GPUYTFHFOJUXNA-MYVDIJBLSA-N 467.448 0.947 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)n1ccccc1=O 1788658712 MROBXDYMNJPIEP-YHJQQMQWSA-N 460.531 0.918 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C[C@@H]21 1789958473 QVZMXXODOGGZND-VKESLTNKSA-N 459.547 0.981 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1)c1ccccc1 1790910998 LSKYWHJUCQWGFN-ZJZGAYNASA-N 471.598 0.450 30 20 JCED CC(=O)N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)c1cccc(Cl)c1 1791079042 XFRHAKMQGQLSRI-QUJKESNLSA-N 461.902 0.585 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O 1797310387 ZPMRDBDNAMKBPY-KVWRPFDZSA-N 471.620 0.902 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)C1 1797742301 RUVDBBAWACJIEQ-ZJLFBGSRSA-N 463.579 0.915 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799140652 HLPMHJGRMOTBSM-WXJALIKYSA-N 466.579 0.158 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1799232013 KWNMNINUEXHGQV-WEMPKCCASA-N 490.601 0.895 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1799331023 MXRPOSHEJXZTHV-QGLBADPUSA-N 467.563 0.851 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799412663 AHOWQVOKESGTEG-PZPPHJHLSA-N 460.535 0.337 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(CCO)CCO)C3)cc(C(F)(F)F)c1 1799787122 XUHLASQCYPYAOF-XEMDLRDOSA-N 484.475 0.067 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1800973661 LKHJMGWDMLIPOZ-WNSDDWSPSA-N 463.531 0.748 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OC)cn1)C2 1802125118 PECBBTDPFKBUKK-YYAJDYIMSA-N 473.530 0.605 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1802140926 XWBXRMCYMVCGPZ-XWSCJBKMSA-N 495.573 0.661 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1803507567 SCMDIFMKOFSYMR-POAQFYNOSA-N 480.587 0.925 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@@H]1c1cccnc1 1813065358 LCMGDWUEJILEFR-DHJUGAMNSA-N 459.547 0.985 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1822222733 PNMNTGBGDJECCT-HUUCEWRRSA-N 491.501 0.946 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2CC(=O)NC2=O)CC3)c(C#N)c1 1822805812 PVKLTGNXOCXLHH-CQSZACIVSA-N 482.522 0.730 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCN1C(=O)Cc3ccccc3C1=O)CC2 1825661534 VUTJKRXTZONCGC-CQSZACIVSA-N 480.502 0.758 30 20 JCED CC(C)OCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828509277 FBBMBCHNIJKGGL-DEOSSOPVSA-N 471.510 0.952 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccc(OC)c3OC)C2)C1 1831399234 RZFBTSWZLAVBBV-QMHKHESXSA-N 464.490 0.951 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1831426777 JYGRRYDQIUQAOT-MZNJEOGPSA-N 472.542 0.538 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1832004862 QGXKTGTVFKOWAI-FAPUVCABSA-N 475.608 0.689 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)on1 1832568748 PXBCNWMNUXVOHE-YHAFYQSGSA-N 450.492 0.511 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)c(F)c3)CCO2)C1 1833484874 RXCZPPSINSEBSK-JTSKRJEESA-N 451.495 0.872 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)CNC(N)=O)CC2)CC1 1833611087 CVZOQGVBQLOGEC-GOSISDBHSA-N 480.610 0.696 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ncn(C)n4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1833885467 NVJBUTBOBXRZKW-GAJHUEQPSA-N 490.561 0.451 30 20 JCED CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)CC1 1834624456 AQULRIYNKMJNAL-UHFFFAOYSA-N 487.689 0.894 30 20 JCED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CCC(N)=O)CC3)CC2)ccc1F 1834674364 KVUCWQBAVHXEJE-NRFANRHFSA-N 472.565 0.404 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC)CCO2)C1 1834817765 NAWRGYYCODFIFA-GAJHUEQPSA-N 498.577 0.658 30 20 JCED N#Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)Cn4cnnn4)CC3)CC2)c(C(F)(F)F)n1 1834942056 CEZDNKRLCDFDKT-UHFFFAOYSA-N 491.478 0.844 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CC1CCOCC1)CCO2 1835422321 VMGPTCOMZWZGIV-GOMHLSDKSA-N 453.536 0.789 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1835473502 ATHKUXJYBOBKON-QGZVFWFLSA-N 476.574 0.903 30 20 JCED N#Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)C4=NNC(=O)C4)CC3)CC2)cc1 1835697913 BNBXNEHGKJQIJW-UHFFFAOYSA-N 450.543 0.938 30 20 JCED Nc1n[nH]c(CCC(=O)N2CCC(N3CCC(NC(=O)/C=N/N4CCCCC4)CC3)CC2)n1 1835731778 CYMKTQFBTIEGLR-LFVJCYFKSA-N 459.599 0.363 30 20 JCED O=C(O)c1cnncc1C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835920377 IGTAYFDNLZNQGI-YYHBXHNPSA-N 488.545 0.889 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccn(C)n4)CCO3)C2)c(O)n1 1836059296 JMGFMCQXHQUTCJ-DEOSSOPVSA-N 469.542 0.952 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1Cc3ccccc3C1=O)CCO2 1836590120 JWEHCIXULWTVKO-PAUWSZDUSA-N 496.564 0.347 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837371084 LTWCKLPWMBQJMC-JRASGKOJSA-N 489.964 0.924 30 20 JCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443849 LFINSHXOGHWIIV-LQMXFJIOSA-N 485.585 0.944 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837674839 OBBSIDNWLSNJAE-YADARESESA-N 463.575 0.446 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)cc1 1837943552 NNUOEUSKFDUEFL-DEOSSOPVSA-N 479.493 0.749 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C)n(C)n4)C3)C2)c1 1838580456 DCSHZIQJGRCOQZ-QHCPKHFHSA-N 453.499 0.993 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)c(C#N)c1 1839131359 CPBIFHOQYJWOPD-HSZRJFAPSA-N 467.482 0.375 30 20 JCED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)cccc1=O 1839186860 SEYCGOGVQAERTI-XMMPIXPASA-N 468.485 0.709 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)ccc1F 1839186966 AZSZFUSUBDRAHW-QHCPKHFHSA-N 479.472 0.448 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2)c1ccc(O)cc1 1839237969 MPPKKJMGVDBLAT-RDPSFJRHSA-N 467.526 0.637 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1c3[nH]cnc3CCN1C(=O)OC(C)(C)C)CCO2 1839738696 DIXMBBQJVORKSG-XXBNENTESA-N 473.530 0.334 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839773609 BZFIGKDXXLERPU-CVDCTZTESA-N 466.575 0.949 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nc(C(F)(F)F)[nH]c34)C2)C1 1840042812 OZTLMXZKVCSPSC-HXUWFJFHSA-N 480.399 0.740 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(I)c3)C2)C1 1840043645 LXJRQDFTLMCUMT-LJQANCHMSA-N 498.273 0.449 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C2)C1 1840156934 YLPCFWHJCLNMCX-FDDCHVKYSA-N 462.616 0.827 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1840763480 GCCFTNYNBQMFCO-MZNJEOGPSA-N 472.542 0.940 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(N5C(=O)C=CC5=O)cc4)CCO3)C2)CC1 1840771469 YZBKGWHBNFARPX-DEOSSOPVSA-N 464.478 0.490 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1840820478 RRDXYAKNIZGMBY-VWLOTQADSA-N 478.505 0.806 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)CCO2)C1 1840856595 UWMBDEMJDNZRIB-KPCPBYSCSA-N 489.544 0.368 30 20 JCED O=C([C@@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844299580 DZKIIHZNXJUSDV-MYGCFAEVSA-N 459.503 0.725 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)n[nH]1)C2 1846366142 TVVWOKNKMYEEMW-HNNXBMFYSA-N 492.533 0.738 30 20 JCED CCN1CCN(CCCCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 502838481 BYHFWYHJQDFWCV-UHFFFAOYSA-N 462.620 0.992 30 20 JCED COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1NC(C)=O 516013963 HXVKEBPKDZRFBH-UHFFFAOYSA-N 485.522 0.997 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)c(C)c2)c1=O 523476789 MABLOKWGZUEQDM-INIZCTEOSA-N 459.568 0.918 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCc1ccccn1 523579397 ZBHYJKXQNMPEJB-UHFFFAOYSA-N 476.558 0.748 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCc1ccccn1 549195325 VBLLIJCVSDMVMC-UHFFFAOYSA-N 492.557 0.932 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCc1ccccn1 554869797 VYOCXFOIHCLAGA-UHFFFAOYSA-N 464.547 0.822 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCNS(C)(=O)=O 589160138 CMQGCBLTPUMCIB-UHFFFAOYSA-N 460.002 0.902 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OCCO2 619538582 MKGPPCQZXIDHJS-UHFFFAOYSA-N 463.515 0.936 30 20 JCED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)c2)CC1 728401974 GBPHPDMNAKBPFU-UHFFFAOYSA-N 485.570 0.446 30 20 JCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 754803265 HGFIPMGYNGYUTK-UHFFFAOYSA-N 468.470 0.322 30 20 JCED COc1ccc(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)CC2)cc1 769215358 JDQDBUIZHVJTMS-UHFFFAOYSA-N 472.523 0.737 30 20 JCED C=CCc1ccc(OCC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(OC)c1 794015821 KXGLROMNKGNYOV-SFHVURJKSA-N 466.556 0.677 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cccc3c(O)nnc(O)c23)cc1 920925748 NFNKSJCRIBKJOQ-UHFFFAOYSA-N 455.452 0.321 30 20 JCED CN(C)C(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1297987807 KUIUVFOQOSFCRM-FQEVSTJZSA-N 485.614 0.852 30 20 JCED CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1360370363 JYXCWSLHSZZELU-DENIHFKCSA-N 475.571 0.997 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1510201568 VNUZBJZGYSUTQW-MPGHIAIKSA-N 458.610 0.986 30 20 JCED N#Cc1cc(F)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(F)c1 1561291608 JZWMXAIXUVWAKZ-UHFFFAOYSA-N 450.471 0.974 30 20 JCED C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1706901996 NAJLZWLSQOBASO-LQWHRVPQSA-N 494.549 0.387 30 20 JCED CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1711402745 WSQADOUEOQEXAD-KRWDZBQOSA-N 461.548 0.255 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CCO1 1748223464 PPGHMBYMUVONTB-HXUWFJFHSA-N 469.546 0.402 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1761271943 STLHBFHBSUJPLQ-YJBOKZPZSA-N 458.610 0.638 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777714663 DEYZGKMUZFTMJC-SOIKWTOOSA-N 481.575 0.767 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CCO2 1778884967 BERUMIGUYKFVNC-YBJWPOLQSA-N 490.626 0.765 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1779067167 PTIMSHBUWBJOPB-HSZRJFAPSA-N 472.498 0.285 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1)NC(=O)OC(C)(C)C 1779097897 ACIMSSHQLJVFJH-DRMXPCRNSA-N 496.605 0.326 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)NC(=O)c4cnccn4)C3)C2)c(C#N)c1 1779180144 KQHWYXUVHAINIR-GKVSMKOHSA-N 492.536 0.548 30 20 JCED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779947161 KFBTUBDOEMTOSW-JOCHJYFZSA-N 484.538 0.411 30 20 JCED CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1780793932 XTMDFEXLPFITDN-WHDIMNPESA-N 450.536 0.650 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781201901 QWDFIBUFMYUYKT-QHCPKHFHSA-N 481.594 0.639 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1783475564 VJUCMNYPUQARAA-FUQIYGJBSA-N 491.585 0.737 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3)[C@H]2C1 1783590368 VVYLRWYOLSRHQN-MUGJNUQGSA-N 462.591 0.979 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@@]3(CCN(C(=O)[C@H](C)S)C3)C1)C2 1783895434 RRBNRKUCNIPRRZ-VFCRVFHLSA-N 450.561 0.770 30 20 JCED COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784512014 KUJDFNFVNXEAOS-FEHIRWRLSA-N 457.549 0.401 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784604500 YCQZXGRZFMYOPO-MRUHUIDDSA-N 463.539 0.533 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1785308393 KEOJLYYNZCTEOX-YVHKJVDXSA-N 452.552 0.810 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785541701 YQPFFJDBLUBHMA-DKLCPLSMSA-N 453.590 0.148 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1785573388 VVKWWLNRJAASFO-FDDCHVKYSA-N 457.531 0.766 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(F)cn4n3)C[C@@H]21 1788661071 XBTXTHRDVZRSHK-AUBQBYDKSA-N 474.493 0.991 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788812949 BZFGCUYHSQIIQA-AQZSRHCGSA-N 450.452 0.440 30 20 JCED C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21 1789878843 YERBOBNVFWCJQO-KNPMLCFXSA-N 453.421 0.700 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN(CCO)CCO)C[C@@H]32)cc(C(F)(F)F)c1 1790258877 XCCRXFNKGDJTPL-VDGAXYAQSA-N 498.502 0.457 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCN5CCOCC5)C[C@@H]43)c2c1 1790328181 QNTKXKZVTWXJOU-CUWPLCDZSA-N 466.542 0.750 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791286725 HSOPIUGXEDGVRJ-STFUBORGSA-N 495.573 0.499 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)[C@H](O)C1 1793257592 MHZHJHAFSWMZDM-XQPJFTJZSA-N 461.559 0.607 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)=NO2)C1 1795413074 LUCZYIGDAAFXMK-SCAQPMJSSA-N 473.530 0.646 30 20 JCED Cn1c(=O)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c2ccccc21 1795598574 XUFGTBOXBUNNLC-UPHUGPLXSA-N 468.558 0.211 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCO2 1797438092 LKWIAZYMNVXVGQ-FAQVEIGNSA-N 451.483 0.819 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797964687 XCOUJGPMRCZBFA-APAFKAMOSA-N 482.578 0.197 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCOCCOCCOC)C2 1798400221 HTFNVLMHQFHDNP-YRPNKDGESA-N 456.580 0.894 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C(F)(F)C1 1799383774 GKECDNAZRXKJJP-BASYENTBSA-N 485.484 0.556 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1799395485 RTJHWSBUEXXCJL-NRUGXNMXSA-N 470.567 0.653 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1[N+](=O)[O-] 1799401847 JUPPDHHDYJJFFS-HJZKZARXSA-N 472.498 0.594 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cn2c(nc1=O)SCC2 1799841051 NHRVOPRXNLLXQM-BJWYYQGGSA-N 458.588 0.812 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800777428 SNMBHFMNVTVWGH-NFYPIIHDSA-N 453.467 0.013 30 20 JCED COC1(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)S)CN(C(=O)OC(C)(C)C)C1 1800985939 RHZWJIFTWXPHJY-MPTYRVRUSA-N 457.593 0.920 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)N2CCOCC2)C3)cc1C#N 1801848862 CUUAYXHNRDXBLY-MHXAIHSWSA-N 472.542 0.199 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1812876253 GDVQJMZAAYCFGR-JPYJTQIMSA-N 469.519 0.822 30 20 JCED COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)c(C#N)c1 1815066504 HMVINNQOLSTAFT-HOCLYGCPSA-N 470.555 0.771 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1819456781 SHNSOOOWEGJHRW-CYLSLRMTSA-N 458.475 0.856 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829055965 SZEXIXAUNOPXGK-CJAUYULYSA-N 498.536 0.393 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3ccnc3)C2)C1 1829332171 AVEAINFQIJBVAP-DEOSSOPVSA-N 479.493 0.423 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3=COCC3)C2)C1 1829335287 YXDOEFLXQSQZHA-XMMPIXPASA-N 467.478 0.831 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1829346710 ZIXHGYWJXAFCCS-QRQCRPRQSA-N 473.555 0.633 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1829765131 HIWISHBMEAHEAC-YJGAIIDWSA-N 454.527 0.511 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@H](C(=O)OC)C3)C2)C1 1831401363 AROMPPCUDFQRPM-CROMWVBPSA-N 450.532 0.461 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1831433072 FYQUQCYLUBEFHT-MHECFPHRSA-N 458.559 0.431 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832285640 ITKQOSGGVSOUEN-NTKDMRAZSA-N 496.605 0.781 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCC(=O)N5CCCC5)CCO4)C3)c2c1 1832424948 UVENZGVWRJGSGY-VWLOTQADSA-N 494.552 0.907 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833026250 LDGUPSWILHRNCW-LNXCJSAVSA-N 499.524 0.161 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833278483 AKCDQFZMUYTELA-QHCPKHFHSA-N 452.467 0.341 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)ccn4C)C3)C2)c(O)n1 1833700072 LSPUHQYNDGRKSB-RUZDIDTESA-N 482.537 0.988 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncnn2C)CCO3)c(O)n1 1833839473 ZPBHVQGJFVKUSS-QFIPXVFZSA-N 456.503 0.418 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnnc2)CCO3)c(C#N)c1 1834031846 GSJRXCBAPKPWPR-HSZRJFAPSA-N 451.483 0.670 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C)n(C)n2)CCO3)c(C#N)c1 1834121943 QEKBUAYQTOQUQL-DEOSSOPVSA-N 467.526 0.922 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)COC)CCO2)C1)NC(=O)OC(C)(C)C 1834977376 HPPNVMPDWZFORP-VGOFRKELSA-N 455.552 0.949 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC2CCN(C3CCN(C(=O)C#CC4CC4)CC3)CC2)CC1 1835440721 HQWWRLYVERGQBF-UHFFFAOYSA-N 464.632 0.643 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)[C@@H](C)CC)CCO2 1835602434 QCZBRSJPFIQKBI-LYXWCMDISA-N 480.606 0.733 30 20 JCED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835630232 WAOFVKHPHHYEGC-JOCHJYFZSA-N 455.471 0.586 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835844727 PFRIXVCBMSYMOJ-TUXZPHEKSA-N 481.594 0.238 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1836472749 WTEXHSCUXJENLM-FDDCHVKYSA-N 485.578 0.311 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836993266 YDHCRSPHJQBFAZ-DVECYGJZSA-N 473.526 0.661 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837492091 AGLMWGMUQVHLJZ-RUZDIDTESA-N 481.553 0.427 30 20 JCED Cc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1F 1837524909 PDPOOXGKIVXNJA-CXDMEPTKSA-N 467.498 0.467 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567484 MVFLRBAUTKRNNN-WATFSYAISA-N 482.537 0.973 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837908222 LOSGTJLRGIISIK-CMEFWWCBSA-N 450.467 0.820 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838634105 YANFHOQPBNJDCJ-QMHKHESXSA-N 491.545 0.309 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n(C)n4)C3)C2)c(C#N)c1 1839131477 GXICBLKPVKQXDZ-HSZRJFAPSA-N 469.498 0.319 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN(C)C(C)C)C3)C2)c(C#N)c1 1839133500 SXFSFHPRDVDCQZ-XMMPIXPASA-N 458.559 0.906 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1839173305 JJGRBSYNSIJEDJ-XMMPIXPASA-N 470.526 0.843 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1839185009 KOEYFMIPWOPIEG-GAJHUEQPSA-N 492.577 0.745 30 20 JCED CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839422464 WEDUUDQULSETRR-RXVVDRJESA-N 451.520 0.881 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCN5CCCC5)C4)C3)c2c1 1839489326 RHIXJZFEDNFXAD-XMMPIXPASA-N 466.542 0.990 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251697 UMPIQCNEKBSHJU-LLJLJFOGSA-N 492.573 0.287 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840316426 UQWDMDOSMCXWJM-OENHHBGDSA-N 477.945 0.688 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c1 1840410084 VIYXQMQFAMZHTN-HSZRJFAPSA-N 451.483 0.806 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n(-c2cccc(=O)n2C)n1 1840813749 SVLWHJRPPIAQCU-RUZDIDTESA-N 494.552 0.643 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1840908963 SZZOVYWUWPFFHB-CIICBDETSA-N 491.585 0.927 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1=O 23840553 RNZNRPBDSLMWQE-UHFFFAOYSA-N 481.962 0.161 30 20 JCED CNC(=O)c1ccc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 29930570 UJZLJLIQSUGZCW-UHFFFAOYSA-N 469.567 0.883 30 20 JCED CN1CCN(c2ccc(CNC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cn2)CC1 43751474 AYUNUQBUEIBKQP-UHFFFAOYSA-N 483.598 0.921 30 20 JCED CCc1ccc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccnn3C)c2=O)cc1 502039931 DLRPXCAJXHUGTB-HNNXBMFYSA-N 451.552 0.849 30 20 JCED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 518035536 PJGZKGMKUVIWMB-ZYSHUDEJSA-N 458.540 0.955 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCC)c(OC)c2)c1=O 523089523 KCUGLJGLMNNSLC-UHFFFAOYSA-N 487.578 0.715 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 603792713 BLNNUFLLPPLEMX-UHFFFAOYSA-N 465.579 0.721 30 20 JCED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609005518 NWHIUBONNQNFOO-UHFFFAOYSA-N 499.597 0.993 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C1CC1 818322695 RICKUYZVMLUCKD-UHFFFAOYSA-N 475.574 0.744 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(-c3ccc4c(c3)OCCO4)c2=O)cn1 839369635 IZVYFGRHYOSEQV-UHFFFAOYSA-N 486.513 0.940 30 20 JCED CN1CCC(n2c(=C(C#N)c3nnc4n3CCCCC4)sc(=Cc3cnn(C)c3)c2=O)CC1 920399006 LAYSBJUUBWGDPJ-UHFFFAOYSA-N 464.599 0.779 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)NCC(F)F 1288154473 KKKCYSRLYYTILV-UHFFFAOYSA-N 460.489 0.996 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1297958041 ZCGYOHZOTRKWDA-MSOLQXFVSA-N 458.567 0.072 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1302481051 YCKPEUPZDAYUAU-KRWDZBQOSA-N 478.600 0.723 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1=O 1316125432 JNEOODQBQFOHCR-SFHVURJKSA-N 453.547 0.832 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1 1509952928 JZTDTJYBXYAQTM-RDJZCZTQSA-N 450.569 0.716 30 20 JCED Cc1c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cnn1C 1510511803 ZXAWTUREEOKJBK-YJBOKZPZSA-N 452.516 0.143 30 20 JCED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)c(=O)n1C 1510897196 WQFWGKDKIFFEEA-GOSISDBHSA-N 489.602 0.797 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1608563945 ODWHHJRQIOWWHZ-KRWDZBQOSA-N 472.575 0.444 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1615329088 QKLXQUKTUAMHLZ-UHFFFAOYSA-N 473.603 0.852 30 20 JCED CCN(CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1710063619 KJGACSURCHOQHH-VQIMIIECSA-N 457.576 0.785 30 20 JCED CS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1712711514 PBBPTNOVBNBXEC-GOSISDBHSA-N 455.544 0.944 30 20 JCED Cc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1742221185 JGTRBXRWWJCZHW-OALUTQOASA-N 460.560 0.891 30 20 JCED CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1747418272 WXFTUBOBHLKEFV-SFHVURJKSA-N 496.615 0.554 30 20 JCED CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749227945 KIDSMFGDSFIGFB-RBUKOAKNSA-N 460.560 0.950 30 20 JCED CN1CC[C@@](O)(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1767510655 VGLFTROLVIPIBP-UWJYYQICSA-N 459.938 0.657 30 20 JCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1SC(=N)NC1=O 1778081976 SHAAMADRCNIOLN-MALZDPSTSA-N 478.619 0.774 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1778975362 GMPPZAKRZSMVLL-PBPSECFOSA-N 482.578 0.158 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1779364360 WCYLURZNZRICFF-SJMJVDTDSA-N 454.593 0.549 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779398478 RAFKTDNQCZLBCJ-SXSPYAJSSA-N 464.559 0.815 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337724 PFLNSPLHQHGJNC-QFIPXVFZSA-N 461.519 0.871 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)ccc1F 1780938460 LQKQEMATVFMKMZ-XMMPIXPASA-N 497.552 0.975 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781165731 VOTQOUZSEVSKMN-UUOWRZLLSA-N 490.605 0.353 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1781265568 QXFXSEJEDRRZBM-IQMFZBJNSA-N 474.514 0.332 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781380819 WNKDVXPSKRFTHB-JOCHJYFZSA-N 474.620 0.822 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)C2)C1 1782048694 DUARDGIXWGALLF-YLNCNTMDSA-N 471.514 0.963 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1)C(C)(C)S 1783777655 JHUATJNRZXPHDS-DUQZYUJVSA-N 486.635 0.141 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1784186320 NIUSXPQQFNRZDM-DGGJZMOXSA-N 463.531 0.781 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CCO2 1785421148 MDNIWBPRULVUTJ-FMADHPALSA-N 469.604 0.892 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1785571468 BPMFFXJPWVIMFI-QRQCRPRQSA-N 461.519 0.486 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccnn3CCOC)CCO2)C1 1785574225 CAUSTZCSHIDOJJ-HOYKHHGWSA-N 489.573 0.890 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3ON=C(c4ccccc4)O3)[C@H]2C1 1788520701 SHGTVUPIELXSMG-OZIGNCPNSA-N 469.542 0.983 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1789956703 XUJKXCOTPONKEJ-BVBHFADKSA-N 472.608 0.439 30 20 JCED CCOC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)CC1 1790719594 INXGZILVXSFPFB-HLIBSZEHSA-N 451.520 0.838 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792272737 MEZOKEQNFPLBNR-ATIWLJMLSA-N 466.579 0.947 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1792272870 VBPNQRVISOCFEI-MUGJNUQGSA-N 499.568 0.920 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792636270 NOGYEBFJMAUILV-BPKGMFCQSA-N 450.536 0.496 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)NC 1793285561 NDJHPRRZTMPAMC-YYAJDYIMSA-N 452.552 0.572 30 20 JCED O=C(CCC(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1793803988 XZRRVQYCADDTPU-ANYSHLCJSA-N 450.536 0.508 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(N2CCCNC(=O)C2)n1 1794839395 AYWGVHCBAQZJPT-AKHDSKFASA-N 453.543 0.698 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N 1795466729 LTTVPJLZTBAUFB-FZKCQIBNSA-N 456.565 0.866 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C1\C(=O)Nc2ccccc21 1797659131 HQRHFBWVHSFPTO-GUDKQPBSSA-N 451.527 0.894 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCC#C[Si](C)(C)C 1797729727 FITDPSJVGSSVDJ-NBMJBFSESA-N 453.612 0.692 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCNC2=O 1797967262 IPMYTQNXGCKRSM-OPURECRCSA-N 458.519 0.797 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O 1797968168 MBTGHUJUZYRYNE-WPVAHCMFSA-N 496.605 0.587 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C)C2 1798358134 PERXLUHUCMDMET-XMTFNYHQSA-N 481.594 0.992 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cn5ncccc5n3)C4)c2c1 1799882514 RJTBAWFOCZDAQZ-YVWYUNDQSA-N 456.466 0.994 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1800745692 KKUVNHZPPUGBKW-CNUAPIKYSA-N 495.532 0.713 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C1 1800909140 MVUIVIONKDGEQD-SFNKJDCFSA-N 465.547 0.999 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1802146190 MFEZRTVNBAZXEC-SSTJLMRISA-N 484.601 0.918 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C 1802159569 GBLSDSUKYYNVOA-ZMMAXQRCSA-N 479.578 0.331 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1803507444 DTURMJSNKCUAJX-NEWSRXKRSA-N 478.619 0.697 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1803555332 VYCRWBDBNDHTMF-PXNSSMCTSA-N 454.464 0.795 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1813039724 AETUCTUYHGEIKS-HXOKRWIQSA-N 491.639 0.586 30 20 JCED CN1CCN(CCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C(C)(C)NCCC#N)CC3)CC1 1814577820 CEIRGLZOQMBMLF-MRXNPFEDSA-N 461.636 0.974 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC3)ccc1F 1822961833 NLASEYRNPVDTOE-HIFRSBDPSA-N 458.519 0.901 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(OC)cc3)C2)C1 1829762741 QGQQZSFETZBLNC-XXXZYALBSA-N 473.526 0.389 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1829764584 OMZAXVCUZDZROE-RNPAOAGASA-N 460.506 0.468 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1829773160 CEJUIJPCICHTRA-GHHWKPDBSA-N 475.542 0.057 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)c(O)c3)CCO2)C1 1830248553 RIKRBJRYTCZLGY-YKSBVNFPSA-N 462.543 0.973 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CCO2 1830385741 RKLHIOLSOSTHLU-MSHBGSJOSA-N 499.630 0.518 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c(O)cc3O)C2)C1 1831398375 AGXMVFFNEGWWKP-SZNDQCEHSA-N 452.891 0.860 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[S@](=O)c3ccccc3)C2)C1 1831401864 HIYGLBVKEHYJDM-HYZHRTDSSA-N 462.568 0.677 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)no1 1831486392 CMPRNUWVLJYHHY-UYAOXDASSA-N 454.549 0.722 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1 1833610465 ZISQBACXSVFZMS-QGZVFWFLSA-N 454.568 0.338 30 20 JCED CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1833661058 KGSSEJGTEFWWKC-QHCPKHFHSA-N 458.563 0.499 30 20 JCED CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1833663332 RNBREZOSGHVDOE-ALUBYUQESA-N 475.546 0.747 30 20 JCED Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1C(F)(F)F 1835189738 UXHWKHGKXPIMGR-UHFFFAOYSA-N 455.437 0.712 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835349598 LZZNNLGAWHIJAX-JPYJTQIMSA-N 480.583 0.680 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)CO2)C1 1835362534 NBBQBRIMKYLCMH-MHECFPHRSA-N 492.573 0.773 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)ccc21 1835677140 JAVGQWJEJZNOQQ-VWLOTQADSA-N 498.584 0.229 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](N)c3ccccn3)CCO4)c2c1 1835705779 LATBEMURVDHMJG-GBXCKJPGSA-N 475.509 0.600 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836115621 JCDPJGIRXFPFMC-HSZRJFAPSA-N 483.550 0.976 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1837397712 SMOSBHMEGVVZLS-MBSDFSHPSA-N 461.515 0.496 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1837403383 LRYXIAPUYYMEAM-ZOAIKNCSSA-N 475.542 0.786 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1837405166 JCHHWXVZQLIKMP-WMZHIEFXSA-N 450.507 0.961 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1837447123 UXSQBNCCGWRXOR-SHEWTDFYSA-N 495.580 0.825 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491110 UXBOKGZRZZFMJV-WMZHIEFXSA-N 459.547 0.069 30 20 JCED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837526740 VHKYBCIBDXCHDG-ICILYHDOSA-N 463.535 0.636 30 20 JCED N[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)c1cccnc1 1837527769 VWBINAUGDKJXMX-YXCKYXGJSA-N 475.546 0.457 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1837528225 BVWLQAAEXCZRKI-KHLOOKIASA-N 477.518 0.265 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4cccnn4n2)CCO3)c1 1838426871 IHFPZOPTLRNCLP-DEOSSOPVSA-N 476.493 0.993 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1)n1cnnn1 1838600161 UGGCMCRAOSGFJT-JLTOFOAXSA-N 459.894 0.529 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1)n1cnnn1 1838600163 UGGCMCRAOSGFJT-VBKZILBWSA-N 459.894 0.529 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCN(C)C2)CCO3)c(C#N)c1 1839067539 OVNFPOYMGPPMEE-CPJSRVTESA-N 470.570 0.908 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c(C#N)c1 1839132589 JGALMZVGQPMIQB-QFIPXVFZSA-N 484.469 0.511 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1839186097 ZMBNOBXUVNYXAJ-JLHGSKIFSA-N 455.552 0.683 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1839190934 LWTTYDBZFUNDBX-NTKDMRAZSA-N 498.540 0.746 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5[nH]cnc(=O)c5c4C)C3)C2)c1 1839452947 FZDKDQZZIMMZKB-RUZDIDTESA-N 490.520 0.895 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCc5ccc(O)nn5)CCO4)C3)c2c1 1839651862 KLOBKWXPBLOCHJ-XMMPIXPASA-N 491.508 0.633 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C(=O)OC(C)(C)C)C4)C2)C1 1839807587 HUKWGRORYOSXLG-DEOSSOPVSA-N 487.557 0.727 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839860387 SACKIKYCKAOKKK-YADARESESA-N 494.589 0.276 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)C1 1840044681 RFBNQDKKXVTFSF-HXUWFJFHSA-N 454.401 0.792 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1840160470 IAYUSVBIBHEBSI-HRAATJIYSA-N 450.561 0.307 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)C2)C1 1840164598 BYFZBSVKCIMGSI-GBXCKJPGSA-N 491.610 0.922 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)OC)CCO2 1840205181 GMAMTEQERIWNTM-PNLZDCPESA-N 455.552 0.947 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1Cl 1840230738 SPUUIQAZMXYOOX-QRQCRPRQSA-N 460.918 0.808 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)[C@H](C)CC)C2)C1 1840908471 BSSUTVIBHIMIJQ-XMODTWTHSA-N 480.606 0.733 30 20 JCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)C1 1841082553 KULASTXEMDPSKE-SFHVURJKSA-N 460.575 0.923 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2C(=O)OC(C)(C)C)C1 1846483227 VCRPWJJLLSRIOI-YHWKNFMLSA-N 460.531 0.974 30 20 JCED CCn1c(=O)c2ccccc2n2c(CO/N=C(/N)C3=C(N)C4(CCCC4)N(C)C3=O)nnc12 109086701 NKECPLSOZGRUKF-UHFFFAOYSA-N 450.503 0.851 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(C)c2C)c1=O 521766776 DRSATLNEHMZCBU-UHFFFAOYSA-N 484.622 0.515 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnnn2-c2ccccc2)cc1 593565297 OBEXUCFSKJIABM-UHFFFAOYSA-N 455.500 0.724 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828514 ZPKQEITXSSXSKK-OAHLLOKOSA-N 492.557 0.661 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)c1=O 613979420 NHPKYOKUZGQLQU-UHFFFAOYSA-N 481.553 0.284 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccc(C(N)=O)cc2)c1=O 726575335 IVELOARWCKMJBL-UHFFFAOYSA-N 464.551 0.376 30 20 JCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)Cn1ccc(O)nc1=O)CCCC2 728320380 JTWQPNSPSVKCEK-CQSZACIVSA-N 455.471 0.862 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)c(Cl)c1 729670974 DSSBBWXAXBYGBS-UHFFFAOYSA-N 483.999 0.644 30 20 JCED C#CCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 730725919 WWDIQUYPIUKWGM-DPFXTCQJSA-N 458.525 0.586 30 20 JCED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 750960475 AKUYKPAEDXYFJB-QHCPKHFHSA-N 454.531 0.384 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)cc1 839223078 KMBVBLQQZJKYEC-ZDUSSCGKSA-N 457.943 0.940 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 844254555 VNWUPJJZLARMSA-UHFFFAOYSA-N 468.514 0.401 30 20 JCED COC(=O)c1c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]c1C 912529964 IZICQCUOLATJQR-UHFFFAOYSA-N 453.502 0.072 30 20 JCED CN(CC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)S(C)(=O)=O 916949586 NXMYTZAELNNJBT-INIZCTEOSA-N 456.546 0.400 30 20 JCED COCCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cc2S1(=O)=O 917417769 YWFIZYOIDXWIHU-UHFFFAOYSA-N 463.493 0.609 30 20 JCED CNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cn1C 917748308 DEJQYMZHWODYKU-FXBPSFAMSA-N 453.546 0.998 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)NC1CCCCC1 1360707500 FOUBLGUXXOSNGL-MAUKXSAKSA-N 478.623 0.514 30 20 JCED N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCN2CCCS2(=O)=O)cc1 1505316788 LGYSWYFZLXGRMK-UHFFFAOYSA-N 450.546 0.087 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1517626124 KDGIOMMSEKJJJR-UHFFFAOYSA-N 453.532 0.483 30 20 JCED CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1517780324 MZIYUMIWQCBPKK-IBGZPJMESA-N 483.573 0.744 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1554505542 WUSQXSFXHJFVBU-UHFFFAOYSA-N 471.522 0.622 30 20 JCED N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CCCN2CCCO)cc1 1620352188 MVDZPOIWCFUVMC-RTBURBONSA-N 453.547 0.887 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1 1705681133 NXPHZPCESQLVPZ-CYBMUJFWSA-N 471.385 0.914 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCOCC2(C)C)CC1 1706937553 MNEWWHPZLVLEGU-GOSISDBHSA-N 495.650 0.852 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCNS(C)(=O)=O)CCOC1 1710484998 SSPHALCQPKHPNF-DENIHFKCSA-N 490.586 0.929 30 20 JCED COC(=O)N1CCC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1729788250 UXJCWQKVHXJYTG-GOSISDBHSA-N 495.606 0.829 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1747413140 RSNNPMNITCSWGU-HNNXBMFYSA-N 466.589 0.722 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC1CC1 1760695713 MOYWFKYJZPFWPM-HOCLYGCPSA-N 474.609 0.032 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1778878693 KCQGCDOLNXEZSU-OSPHWJPCSA-N 484.557 0.032 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1778889177 ZJHXKKHYDFXFJS-AVIJNYRZSA-N 481.521 0.937 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C3)C2)c(O)n1 1779072604 GJSCDPWBPDEWES-HYBUGGRVSA-N 489.525 0.844 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337626 GPUADKQCNRPNBU-WLENULPWSA-N 473.530 0.700 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(OC)cc2C#N)C1 1780687234 QALVNVCOGPDICP-SGIRGMQISA-N 486.569 0.774 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781353318 KESPHTXKQUQFHP-SAHWJRBASA-N 469.579 0.665 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1782107777 CMOKJNIEJTWMTC-QNFHRHJVSA-N 453.584 0.256 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1783485889 MKZBQLFTISMWHW-MNAFTKGFSA-N 493.557 0.062 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783564705 CPXJEOULCRGDDL-PBNUPURSSA-N 461.515 0.551 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)[C@H]2C1 1783846124 MMSOQOANANGDAD-OLAQMGEPSA-N 471.554 0.184 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1783892595 BDHGXYJCNDBOID-QVKFZJNVSA-N 460.560 0.328 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1784784488 CCTKDQPJLNWCTN-ATIWLJMLSA-N 481.594 0.028 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1785429331 CJDXKCCIXOBGLO-DIVYTMEGSA-N 499.564 0.627 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786860140 WDJFPZWEJJQWQS-LUKYLMHMSA-N 467.567 0.091 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1)C(F)(F)F 1787395562 PYBXZLJNXNDOJL-AJNGGQMLSA-N 465.469 0.970 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1788601157 KVDJWIRAHXQFQT-DYKZOPNRSA-N 486.573 0.444 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1ccnc2c1OCO2 1789182091 LICXBMCXSAVZEX-OAOTXVCUSA-N 460.487 0.933 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)c1ccc(-n2c(O)nnc2O)cc1 1789272978 ZIGFWLQAFIKNMJ-WDSOQIARSA-N 451.483 0.685 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1793340170 OCWBVFPOEAINJB-UKDKCTMISA-N 499.630 0.276 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O)NC(=O)OC(C)(C)C 1795362722 RGHXNTKEKZAVMN-YYAJDYIMSA-N 473.592 0.480 30 20 JCED Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1795981996 CDRFFJNLFYIJGZ-OCVGTWLNSA-N 482.607 0.918 30 20 JCED Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)c(C)n2n1 1796926506 ZPDGOWMENNAGMP-SESRIWRTSA-N 454.535 0.416 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1797708073 BWNDQAXCLIEVHI-NBMJBFSESA-N 465.572 0.403 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1798411462 ZGPKZLNRWGAHCX-FAQVEIGNSA-N 497.577 0.671 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(CO)on2)N(C(=O)OC(C)(C)C)C1 1798733422 HIKBBLQTHGUFJZ-QXGSTGNESA-N 476.530 0.936 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1799325269 ZNLGNXXBZCCFID-IPLXSBJHSA-N 478.590 0.962 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884234 MZXUTXOULISWPX-JSJNYSNDSA-N 483.481 0.133 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2)c1ccc(O)cc1 1801054227 RPQHTEUEZKYDAI-FSTVOOFJSA-N 466.494 0.994 30 20 JCED CCc1c(I)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)nn1C 1801988827 NWVVZPBYMRLKCC-ZSBIGDGJSA-N 484.294 0.927 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1805274053 CFIRYZFWLJHMFW-INDDNBPWSA-N 497.614 0.968 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808197409 FUKVQIGDKQAVBF-BXWFABGCSA-N 460.487 0.061 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C#CC3(O)CCCCC3)[C@@H]2c2cccnc2)CC1 1809668753 KPYXBZMBGJSSKX-ZEQKJWHPSA-N 495.624 0.950 30 20 JCED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)c1 1821603724 KIWDZCPRJAFPNV-VIFPVBQESA-N 450.444 0.008 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824974529 JVYMMBALMORHRG-UYAOXDASSA-N 455.621 0.928 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827994754 SOCUCLLHDQBXHW-ZDUSSCGKSA-N 475.527 0.835 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=N)N)CCN3C(=O)OCc3ccccc3)C2)c1 1828974968 RMCOUKNDZAYGHW-XMMPIXPASA-N 492.540 0.435 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)CC1 1829632243 WNXTXKPVULCFDQ-VWLOTQADSA-N 469.586 0.195 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc(-c4ccccc4)o3)C2)C1 1829770371 LNPLZFAFPWDOPH-XXXZYALBSA-N 481.509 0.665 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2)C1 1831325138 WYGFGZYLUVMWKP-DYESRHJHSA-N 459.609 0.763 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)C1 1831386634 HSQBHUMPOBCERH-FZONSQQESA-N 450.532 0.461 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccc(N(C)C)c3)C2)C1 1831387492 QGBAUQBDYWLHSV-CYFREDJKSA-N 459.543 0.626 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831448825 GZWCDHQWBGLJKH-JTSKRJEESA-N 463.556 0.238 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1831487614 QQAMYFYZUJPJMB-MNUAXYBXSA-N 458.606 0.200 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1832454112 ABSLCCNEFFBTHH-FQEVSTJZSA-N 469.585 0.474 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCc5cn[nH]c5)CCO4)C3)c2c1 1832942591 OAIKIYIYESHJDZ-QHCPKHFHSA-N 463.498 0.860 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833162070 IKZZTAHWDYJCNL-MHECFPHRSA-N 489.573 0.945 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cncn2-c2ccncc2)CCO3)c1 1833654762 OTNGFIHBRPHHKI-QHCPKHFHSA-N 461.482 0.851 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834706908 NBHAHBXADMNHMS-UHFFFAOYSA-N 467.574 0.349 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1835354882 IZEIDVGLUHWNKR-VGOFRKELSA-N 460.556 0.857 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(O)c1 1835680542 KORDFFUXWBAVRH-HSZRJFAPSA-N 460.531 0.753 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)[S@](=O)c1ccccc1 1835682438 IVCIOTGYOIMGRI-WRXAPEBQSA-N 490.626 0.921 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835731869 NDAFEYMLLHHXSH-HZHRSRAPSA-N 460.539 0.975 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1836215605 FQNDVCFROPPLHD-VCAMNPENSA-N 473.592 0.131 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)CC2)CC1 1836362068 HVYRVMYCHJINOE-WGKHYCIBSA-N 485.629 0.817 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1836388436 VTELVOZMIGWJNY-LEWJYISDSA-N 492.665 0.541 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1836526662 HNQDNNWZAPEYAF-KWQGRVAKSA-N 495.536 0.094 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836893170 INDDRASGDWSEJM-QFIPXVFZSA-N 457.487 0.309 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1837528205 BDJCZTYCIVSPEC-COQMUBBDSA-N 471.514 0.933 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837658911 FFSRBVOIZRUQKO-FDDCHVKYSA-N 477.562 0.544 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1837664473 NWJTUAGYGVIUOS-AUSIDOKSSA-N 468.547 0.930 30 20 JCED COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1838514432 DVYZPZKIDITFRD-PHBSZKRHSA-N 464.519 0.760 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)cc1 1838952983 LXZGPHSBJYMEEX-HSZRJFAPSA-N 481.465 0.398 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)cc(C(F)(F)F)c1 1839079453 RXFGEAKWNRRGGN-BBTUJRGHSA-N 482.459 0.370 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1839175303 AUMJOYYTPVWDTJ-QFIPXVFZSA-N 477.470 0.880 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185521 FACDAJFSUDQFBR-NRFANRHFSA-N 474.518 0.903 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)COCCO)CCO3)C2)ccc1Br 1839196257 LBDLKNRBRFXYSS-HXUWFJFHSA-N 482.331 0.400 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C3)C2)c1 1839453649 WHBVNIRTGNOYHO-CYFREDJKSA-N 488.541 0.780 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cc5cncnc5)C4)C3)c2c1 1839487314 AVZCLBAJFQUEPZ-HSZRJFAPSA-N 461.482 0.537 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)c1 1839718854 RIENIZRZKRPAGX-HSZRJFAPSA-N 499.455 0.537 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(Br)cc1F)CCO2 1839802864 SRBUPUNSUQCLLW-FQEVSTJZSA-N 483.290 0.675 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1839887398 ASDDHUSLGWRIMJ-YWZLYKJASA-N 477.505 0.540 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839989524 QQXGBHVGKJUBIW-DEOSSOPVSA-N 488.541 0.918 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840071684 DNMLSANXEGCMGX-AHUWJOPLSA-N 492.573 0.628 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C4CCN(C(C)=O)CC4)CC3)C2)C1 1840173807 SBACKFIBOJCNAJ-RUZDIDTESA-N 476.618 0.742 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1840292534 WNFVVRDWOZSKIM-DVECYGJZSA-N 480.606 0.879 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)COc5cccnn5)CCO4)C3)c2c1 1840410179 ZIKZXDSSZCIUSV-QHCPKHFHSA-N 477.481 0.374 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1840818410 ANIGIIJAIHCDFW-QHCPKHFHSA-N 453.499 0.749 30 20 JCED Cn1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840819236 XOKWPQWHWFAFEW-QHCPKHFHSA-N 453.499 0.370 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1844236931 QMDXPEDKJROUDL-MRXNPFEDSA-N 450.499 0.961 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2nccnc2C(N)=O)C1 1844597146 VAZAQAPDKCXTKQ-AWEZNQCLSA-N 456.503 0.309 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)N2CCN(C)CC2)C1 1845100939 DJMTUHNTOVFDJY-RBUKOAKNSA-N 461.607 0.742 30 20 JCED COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1845246011 YGZRWJLTLCZHSO-PCCDRTMGSA-N 485.578 0.805 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845832022 GWXHVEGWEOKEIB-XMMPIXPASA-N 455.511 0.543 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1847511066 GVQZMLNMZCAJQE-ZBNIYWSPSA-N 454.524 0.603 30 20 JCED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 480218450 VHLDADTXKCMBFD-ROUUACIJSA-N 497.573 0.658 30 20 JCED N#Cc1nc(N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1C#N 490147857 AWVBWJGVLNOFBB-UHFFFAOYSA-N 453.528 0.621 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2sccc2C)c1=O 501774323 MTHHVLADLVTEPA-UHFFFAOYSA-N 461.565 0.595 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCNS(C)(=O)=O 524281218 MIPIMPSBSXVMCH-UHFFFAOYSA-N 475.592 0.512 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)NC(C)(C)C)cc1 728144918 KYNHDQUVGLLQPK-LFVJCYFKSA-N 451.549 0.859 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 749017517 NHANZYNWUQMGIG-UHFFFAOYSA-N 466.422 0.413 30 20 JCED COc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 837040253 FVISQIURGSNWLI-NVXWUHKLSA-N 487.600 0.886 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(OC)cc1 837965745 AYQBOGHYOFXATL-UHFFFAOYSA-N 467.551 0.356 30 20 JCED COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 853671271 LDZOFYGVXYPKBH-ZDUSSCGKSA-N 451.501 0.459 30 20 JCED CCOC(=O)N[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 915027365 CATVOQJHSSVVPO-LJQANCHMSA-N 480.543 0.705 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1 916775223 LWDGGRNZXCDQIR-UHFFFAOYSA-N 466.541 0.397 30 20 JCED COCCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2c(C)nn(C)c2C)c1=O 917356597 NBFITDXKABZKIE-UHFFFAOYSA-N 495.561 0.820 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1=O 917478068 OSQKRQWSIBXZCG-OAHLLOKOSA-N 460.922 0.900 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@@H](O)CN1CCOCC1 1149203416 PFSPBRLTRLCVGP-AEFFLSMTSA-N 452.577 0.435 30 20 JCED CCCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1=O 1313447213 RMQRJTJEUZIKHG-UHFFFAOYSA-N 475.575 0.727 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OC(F)F)cc2)C1 1316358452 YXDGWQANDLPCRL-IAGOWNOFSA-N 498.512 0.989 30 20 JCED CN(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1503385943 IRCHWZOGYJGBFV-DLBZAZTESA-N 467.596 0.214 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)NC2CCCCC2)C1 1505141126 MOMPWBABHFRHSL-UTKZUKDTSA-N 497.597 0.892 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)cc1 1542359609 PDOLIGAVORUPMX-UHFFFAOYSA-N 452.496 0.697 30 20 JCED CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1613439393 MFNPOGSYEHABFE-APWZRJJASA-N 469.546 0.985 30 20 JCED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1640664875 KOOBEIVDEUYBPQ-HNNXBMFYSA-N 453.546 0.028 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CNC(C)=O)CC1 1690346343 QWZVNGGRVDJDTF-INIZCTEOSA-N 460.988 0.716 30 20 JCED Cc1ncc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)s1 1742621345 CCZVQCHHABAXPK-YOEHRIQHSA-N 455.541 0.866 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 1749889603 TYWWDFNFARGCDZ-KRWDZBQOSA-N 468.562 0.593 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C 1761363324 LZESZBZZBNSEEM-MJSDIWTKSA-N 460.626 0.897 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)CCO1 1769259025 KWYMNMNTARTDRI-SFHVURJKSA-N 469.502 0.522 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771369780 XUKSFYLYYIXXJV-UHFFFAOYSA-N 453.532 0.483 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1779202195 BUPGGGCNHQIAEE-RZFNWQHOSA-N 476.505 0.818 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1)[C@H]1SC(=N)NC1=O 1779362920 WNZJFFYGEZRNLE-IDYZOLCGSA-N 478.619 0.774 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CC[C@@H]3CCC(=O)N3C2)C1 1780603855 QPJKUPAELXMWBW-HVUXOLSBSA-N 472.586 0.760 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c(C(F)(F)F)n1 1781043784 IERUBFYYNZNFEO-RFUYNDQBSA-N 453.421 0.138 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1781251791 ISRRWYKEUSAFRF-HOIFWPIMSA-N 452.552 0.810 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2 1782009124 BCSHSBDNWJRXNS-UMEGOILYSA-N 467.522 0.637 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CNC(=O)c5cccnc5)CCO4)C3)c2c1 1782192495 KESWVLSNEFVOJD-XMMPIXPASA-N 473.493 0.703 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195312 YBGHMYHCWDNZQM-KOSHJBKYSA-N 498.540 0.764 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1783275966 JKVAXJQPMQIGQY-FQSKDFRHSA-N 472.608 0.587 30 20 JCED CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566010 VFDFAIIKPGODPZ-FQEVSTJZSA-N 467.931 0.828 30 20 JCED CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783707657 LPTJNKBSYHXTGQ-OPAMFIHVSA-N 451.520 0.844 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)NC(=O)OC(C)(C)C 1785308825 WCNBIYJWSOCNSE-YDSTWLSQSA-N 466.579 0.399 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785786391 HPAWPKPLCIVXCM-CVYDXHPNSA-N 461.588 0.320 30 20 JCED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1788615032 NQTLICXAWXGDML-VDGAXYAQSA-N 473.599 0.573 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789511393 UQKSFVKYKUXDPV-VABKMULXSA-N 489.569 0.848 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N)C(C)C 1792633468 SITTVGWDYSQEDG-PJVZLEMVSA-N 491.589 0.497 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793052728 AMDGOXDUPVSMHC-NHKMSHSESA-N 497.548 0.701 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)c3ccccc3OC)C1)C2 1793340069 JHOBVIGZFMRCNO-NSAZKJPHSA-N 469.538 0.395 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)Nc2ccccc2)CC1 1793403037 YLDKGRKTEZBCDI-NOAIIALASA-N 466.538 0.853 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793435940 KJSZHBIFRATNEI-UJHHCITNSA-N 450.536 0.004 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOCC2)c(C#N)c1 1795469860 RNERQXIXVXPCGF-IRJINJETSA-N 456.543 0.421 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N 1795507713 YBDHKZJPRHQGRC-FQLMCAECSA-N 453.565 0.119 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c1 1797809011 XVRUGUDDFSAEFU-NKFKEYGXSA-N 480.543 0.217 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cccnc2)C3)c(C#N)c1 1799237572 SYGSRYVFUMRPKF-MNHFLQJXSA-N 463.538 0.664 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1799248271 UZASMXBSJAWACR-JBXGNFEISA-N 473.592 0.741 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1799259629 YNUNJJMLAWARSS-LLQNAPDVSA-N 478.546 0.829 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccc1)C2 1799305615 WGACCBLBLVFBIL-ROPHOZQPSA-N 457.527 0.904 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2 1799320468 IXXSXHSOUHTPNW-ZMMAXQRCSA-N 487.619 0.870 30 20 JCED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOCCOC 1799383064 MIGQIHNGESKZGH-XWSHUIEDSA-N 456.580 0.875 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(S(C)(=O)=O)ccc1Cl 1801917799 OURIFGHWEPMPRC-ZTENYAIWSA-N 468.959 0.985 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1802127199 RKGQKWQKZBSBAW-ZMMAXQRCSA-N 460.535 0.174 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)[C@H]1c1cccnc1 1802483464 RJWJZOQJUHBDIG-QHLDQVPGSA-N 457.531 0.097 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1802938785 XOSFCLZWMGZTCB-HOYKHHGWSA-N 490.516 0.956 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803034498 GYDXYLNBEGZLLK-JTDSTZFVSA-N 460.487 0.061 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804352870 HHUKUKBVOLCERP-KGVIQGDOSA-N 476.493 0.636 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)C=CC1=O)C2 1804377227 WKQIGFJGIBESRV-YYIAUSFCSA-N 458.515 0.466 30 20 JCED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@@H]2c2cccnc2)c(=O)nc1O 1810363016 DLQGYEOVIBMJAM-FHRCQSPNSA-N 498.540 0.887 30 20 JCED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)cc1 1811887677 PKYLXNRTPQEGRL-UYAOXDASSA-N 457.427 0.998 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812880653 RYNZSFDTDQMZFY-NKUOZVKISA-N 450.451 0.946 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815329981 KAIIJKQQGFKGAE-ZDUSSCGKSA-N 481.538 0.799 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)CN3CCNC3=N)CC4)c2c1 1823889343 OZDZMLWGWQDFFN-GFCCVEGCSA-N 463.527 0.957 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)[C@H](O)N3CCOCC3)CC4)c2c1 1823891744 HWOHRQGWGYKWQR-ZSEKCTLFSA-N 481.538 0.767 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)n(C)c1=O 1825102140 GZOCQVOANOAWOF-QGZVFWFLSA-N 483.573 0.603 30 20 JCED C=C1CC(C(=O)N2CC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCN3C(=O)OCc3ccccc3)C2)C1 1828990431 PCFANLMZVPWDOM-LVXARBLLSA-N 497.596 0.998 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCN2C(=O)OCc1ccccc1 1829261095 OPLCGXYXVRKLPW-CVDCTZTESA-N 473.551 0.649 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COCc3ccc(OC)cc3)C2)C1 1829773737 SGFMTPPOIKUDNU-KWQGRVAKSA-N 487.553 0.527 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5ncccn5n4)C3)C2)cc1 1829903371 RFTKLSKSUOJSEB-XMMPIXPASA-N 460.494 0.914 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)CC2)ncn1 1830050994 SGSORENBUWYUOF-XMMPIXPASA-N 486.573 0.708 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1830061613 OMCBFWOXWSCJKN-NRFANRHFSA-N 467.519 0.849 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc(Br)c1F)CCO2 1830880364 KJBBQARECOKABM-HXUWFJFHSA-N 483.290 0.675 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831188957 SYIUYAUHKCXXAZ-BXKMTCNYSA-N 472.542 0.480 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)no1 1831486390 CMPRNUWVLJYHHY-QUCCMNQESA-N 454.549 0.722 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1 1831997736 FRAUTAOYXYDCLH-HTAPYJJXSA-N 454.568 0.474 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1832458278 JGVHYSHHBRECMW-VGSWGCGISA-N 487.619 0.638 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832872441 BBUKKTQSYWTXPH-WIYYLYMNSA-N 452.577 0.545 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncn(-c5cccc(F)c5)n4)CCO3)C2)c1 1833353512 BEUAHEMSEAMPFT-HSZRJFAPSA-N 479.472 0.990 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1833473513 VJVQDOKWMWTUMO-IAGOWNOFSA-N 458.625 0.477 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(=O)O)n(C(C)C)n1)CCO2 1833605096 WZWNEFMWJBQYGY-IYZQMXKPSA-N 489.529 0.091 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833651685 STYBOWLXEPECNC-MBSDFSHPSA-N 455.515 0.928 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834599846 SLPRDPXWVHPTAV-SFHVURJKSA-N 463.579 0.747 30 20 JCED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CNCP(=O)(O)O)CC3)CC2)cc1 1834666589 XTNJHKNLLFKVJC-UHFFFAOYSA-N 477.502 0.663 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835100763 WWLIJPCALVUKIW-UHFFFAOYSA-N 460.539 0.785 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1835184708 ZZXQGKAWVSJPQX-HSZRJFAPSA-N 460.552 0.639 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342051 IZMXMFLMTJHSQM-ZHRRBRCNSA-N 466.535 0.286 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)[C@@H](O)C1 1835352360 VQNHETPQFONXHP-BSRJHKFKSA-N 480.562 0.364 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1835668340 ZOYNMWKYHLDXRA-HSZRJFAPSA-N 492.598 0.442 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1835682709 RZMNLWYWZYOESM-RDPSFJRHSA-N 458.559 0.328 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1835712907 KONGBEFQQUYSMQ-OAQYLSRUSA-N 450.624 0.853 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836359255 WZUVTZAGOIPRIH-ACRUOGEOSA-N 493.649 0.750 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1836842014 DAPMXBTYOMEKFH-DLBZAZTESA-N 457.593 0.351 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1837000721 ZKAICHBJNHJDRE-JKJLQIMHSA-N 454.531 0.876 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c4cnccc34)CCO2)C1 1837174238 SDKGRYLIBOOGFM-HSZRJFAPSA-N 454.531 0.915 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1837390806 DCFCEXVGMDLEGG-CVDCTZTESA-N 480.583 0.733 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837401245 WJANFPPIGRLSKO-XIKOKIGWSA-N 461.441 0.467 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1837443761 IWVWNNKXTBZHQG-TXRNYMQSSA-N 464.441 0.020 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837529506 USQFDCLLWAJQHW-ZKODQZSGSA-N 486.569 0.686 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c1 1837797124 ROMKKYBUFAOGIA-OAQYLSRUSA-N 470.442 0.582 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837918714 SQRZROQCNZUSJO-SFHVURJKSA-N 472.546 0.603 30 20 JCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1838126942 LVJROHFRWSHZHA-WCNTUGILSA-N 450.492 0.836 30 20 JCED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1838267371 OFDKUUUUEQTOJX-HNNXBMFYSA-N 461.650 0.975 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838341471 YISZTJGPDIMTSX-QHCPKHFHSA-N 452.467 0.341 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839190872 INGOVOVKBQVISP-YADHBBJMSA-N 453.536 0.703 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)cc1 1839783972 GHJOTLUQIHROJO-DENIHFKCSA-N 461.540 0.400 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2)c1ccc(O)cc1 1839881289 RXIVLNPSHNRTIT-HCYUJWNOSA-N 471.554 0.870 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1840026741 UJAYPIQIPWBFMS-YZZKKUAISA-N 467.563 0.520 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039715 FLXMWGUCJYWVDW-YGKZAACZSA-N 479.530 0.224 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840175961 OWHOFCDCUNVVGU-HYFFOGBASA-N 453.536 0.389 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1)c1ccc(O)cc1 1840220411 NNFPRWAZOGSKHO-OFVILXPXSA-N 471.554 0.872 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840606469 JORXEVLFMBTNOP-AUFFKQJYSA-N 479.574 0.805 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840844930 UKCWVOFMPJFCCD-DHIUTWEWSA-N 465.547 0.228 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1840959180 XKHBUXQSCWDWIE-WZONZLPQSA-N 499.630 0.998 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO 10351019 BIMLYAKLHASDDZ-VBKZILBWSA-N 454.549 0.941 30 20 JCED COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)c1 507492077 GSRGIHGTKKQXTA-UHFFFAOYSA-N 452.514 0.666 30 20 JCED COc1ccc(OC)c(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccco3)c2=O)c1 523254600 JUGFRXSGWHVAKL-UHFFFAOYSA-N 467.503 0.871 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccc(C(=O)O)cc4)C3=O)CC2)cc1 589797410 SIHGRUYCMDWYIG-IBGZPJMESA-N 468.491 0.895 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 604498151 FVFVNMILTLXQCE-QGZVFWFLSA-N 468.514 0.636 30 20 JCED CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 608910911 WURFBCUUFKGFEU-UHFFFAOYSA-N 454.552 0.744 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC2)C[C@@H](C)O1 726584918 LDGBIPPLIXHFKP-QZTJIDSGSA-N 490.586 0.252 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 746150343 NQTCQZWBFUCHHU-QGZVFWFLSA-N 483.568 0.338 30 20 JCED COc1cc([C@H](C#N)NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc(OC)c1OC 750574956 IUKZNVMZRYRPBZ-HIFRSBDPSA-N 464.500 0.559 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 837001342 AGWHALWDQIEVTF-DOTOQJQBSA-N 457.574 0.844 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)cc1 858005622 SRMOECGKLGDISL-RDJZCZTQSA-N 470.569 0.569 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@H](C)O 887546097 AZHXWJIRFNRGMG-DEYYWGMASA-N 463.512 0.811 30 20 JCED CON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 915381040 KBHBYVZEIONFML-UHFFFAOYSA-N 477.499 0.542 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 917749257 CSIZGWODLFAJBE-LVZFUZTISA-N 472.570 0.948 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 920467086 MVFDWJMIGOOEAZ-QGZVFWFLSA-N 457.508 0.653 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 1302469535 QSUJRPCBCQIGSM-AEFFLSMTSA-N 457.560 0.800 30 20 JCED C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 1539767236 NXEGTTHXSVCZKQ-MSOLQXFVSA-N 460.560 0.636 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1547765281 TXKMIFBRSOBLGH-GOSISDBHSA-N 471.587 0.510 30 20 JCED COCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1555426340 IJSKBCHHDJUHTH-UGKGYDQZSA-N 492.602 0.907 30 20 JCED CCNC(=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCC1 1615923829 NEFRIEZOCVZNAF-QGZVFWFLSA-N 479.607 0.657 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCCCC2)C1 1620171010 QPZRZDIJLBORRX-FXAWDEMLSA-N 469.587 0.929 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1706095698 ORYCCLJSXBGBCB-AUUYWEPGSA-N 471.559 0.215 30 20 JCED COc1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)ccc1OCCO 1711664180 ZJAYVAHPVMHJIM-QGZVFWFLSA-N 456.503 0.671 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1723612285 KSCMGVYUZKUOIO-ZHRRBRCNSA-N 454.535 0.549 30 20 JCED Cc1n[nH]cc1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1761607837 WMWFIBCTZKFALZ-CRAIPNDOSA-N 461.596 0.729 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)ccc1F 1778383444 MRLLDNFOXRJXCA-XMMPIXPASA-N 480.500 0.714 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1779102854 YTGYJQZUERKEOF-MLKBUXGZSA-N 486.591 0.017 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1781083159 JZQMHTBRHZYZDF-HGFRQNNFSA-N 498.552 0.980 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781116014 YXIYHGVFJVUEME-YDSTWLSQSA-N 482.578 0.845 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1781311234 OMPZOSSXLKOYRF-KOSHJBKYSA-N 483.525 0.563 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1782206759 MVDLEDDIZJMRBY-NVEFZCDLSA-N 469.535 0.645 30 20 JCED C[C@@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565022 HWDONNQDQXLNPO-FTJBHMTQSA-N 492.532 0.318 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783601521 ZGFSFRKQXLFWCJ-SAHWJRBASA-N 483.562 0.864 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC(=O)NC)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1784415328 FMIPIEFQSNIPTN-XSLAGTTESA-N 464.563 0.668 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1)[C@@H]1SC(=N)NC1=O 1785378705 MBPIBMDUHYOWGF-SDYXESRWSA-N 471.539 0.569 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1785574594 NOSGOJTXRFINFY-FDDCHVKYSA-N 459.547 0.938 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1785596549 ZORBTNQLWRIIIS-URZJWIJPSA-N 460.535 0.577 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1788573678 GDUWPOYZUJGDDB-QXCZDIPSSA-N 483.606 0.815 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)C[C@@H]32)c1 1789342761 HFBBBKPCMSIJJG-WFXMLNOXSA-N 491.552 0.515 30 20 JCED O=C(Cc1cn2c(nc1=O)SCC2)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1789709592 CTLIIWGFQMQFGS-JOASTDKCSA-N 485.566 0.583 30 20 JCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4cn5c(nc4=O)SCC5)[C@H]3C2)CCC1 1789710088 KUBYWUDXJRGPGO-XIRDDKMYSA-N 457.556 0.565 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1)N1CCN(C)CC1 1790227541 FYHFCGKHHYCNOH-UZSDIVCKSA-N 457.550 0.927 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1792520809 VEFMMIDZAISCCR-DLIYGKSNSA-N 463.531 0.721 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C2 1793362489 VKEXIDCARCXMPC-WERVVEIQSA-N 480.606 0.720 30 20 JCED COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](S)C(C)C 1793385347 LFMCVSLKPWEXPI-KOUHRCEDSA-N 476.636 0.617 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1796392414 QALYRENBBDYISN-XMTFNYHQSA-N 481.594 0.398 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCCC#C[Si](C)(C)C)C3)CC1 1797304687 SGRIDVLZLHEFBJ-RUMRUAAYSA-N 476.694 0.791 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1797815190 LFEGAXKYTFXZRP-DBGBFXKQSA-N 461.519 0.657 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797817063 XGQNWUCGQGGOFK-RGCDKQNKSA-N 454.524 0.630 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1799232298 ZGHFEVAEHROHGM-DMUMMCEESA-N 474.562 0.565 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1799303064 YRIZBDOFVQMRAM-FAQVEIGNSA-N 483.521 0.772 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1799332890 CNVLQUDZXUTIPJ-JCHKBEJOSA-N 481.590 0.833 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C(F)(F)F 1800552504 MZIBAQMVFGOBQX-XFMPKHEZSA-N 478.468 0.463 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnc2[nH]ccc2c1 1800843775 VOVRKIPEHDZEPP-KAHPKBMISA-N 451.527 0.944 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 1802025017 HQYVBSCGGGKPLY-SSTJLMRISA-N 482.537 0.652 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1802040773 QASAPWUXFFDJSL-NPDDRXJXSA-N 487.576 0.744 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ncccn1)C2 1802125042 NVIZGUZHWCWIMJ-AXVVYFOYSA-N 457.531 0.525 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1802490211 QOWRGPJJIRBDES-ZGNWKZGBSA-N 460.556 0.523 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)[C@@H]1c1cccnc1 1802499900 VUPBBSPKQNNNCJ-NRGWPNOJSA-N 458.515 0.562 30 20 JCED O=C(C/N=C/c1ccco1)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810487757 IZDMONAZFCUTPK-WSDLNYQXSA-N 452.475 0.370 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1812978978 BIRYALVPYQTATN-INDMIFKZSA-N 460.579 0.843 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=N)N)[C@@H]1c1cccnc1 1814207400 IOHJYPNMGDKADW-JENIJYKNSA-N 471.562 0.487 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(N)=O)CCN2C(=O)OCc1ccccc1 1829476096 MAAWPDNIHQTISJ-QHCPKHFHSA-N 455.515 0.520 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)cc1 1829629625 BOYQRTPVTGFSKC-XMMPIXPASA-N 479.493 0.749 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1830462265 AWIGXQKDVKOYTQ-NZQKXSOJSA-N 475.567 0.524 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3COc4ccccc4O3)C2)C1 1831387427 HWDHEBXOCYCDAR-YDIMBITNSA-N 458.511 0.711 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831402019 LMSBOTPZMKUGNM-UJXVZYGKSA-N 467.522 0.391 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1831998145 JYUDWIFUXGOUQH-WAIKUNEKSA-N 491.545 0.722 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1831998223 KVBLDZNEDMDESS-FDDCHVKYSA-N 477.562 0.809 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251937 ZORPJWUXNSMEDO-IBGZPJMESA-N 494.438 0.497 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)c1 1832380618 IASNQMKYWXBPMU-BXKMTCNYSA-N 467.526 0.992 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832419942 FIMWOWRAILYHEM-RUZDIDTESA-N 453.539 0.897 30 20 JCED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)no1 1832920719 DLNUYGOPGXZZOO-QHCPKHFHSA-N 453.499 0.881 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CC2)CC1 1833074600 SPXHSHZNUOBMQU-YLNCNTMDSA-N 475.634 0.967 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(C(C)(C)C)c1)CCO2 1833451125 LTKAZZOEUVGTPP-KSEXMQBYSA-N 459.547 0.567 30 20 JCED COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1C 1834579818 JYBHJTOJSKWONP-LDVHSUHUSA-N 476.530 0.998 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)n5[nH]cnc5n4)CC3)CC2)cc1 1834794126 TVCGIKIGPSNXPM-UHFFFAOYSA-N 488.552 0.717 30 20 JCED C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1835532633 BUOYRATVJWQYKH-XCGNWRKASA-N 488.651 0.639 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1835767252 KYRCQXBXGHPNOS-WMPMWDHYSA-N 488.545 0.889 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836350337 BBFOZIZKIOBRLQ-AOMKIAJQSA-N 478.550 0.734 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836359256 WZUVTZAGOIPRIH-HBMCJLEFSA-N 493.649 0.750 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1 1836388361 MGRSHKWCJFYWQB-LJQANCHMSA-N 480.606 0.566 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836394591 QZSGCCFKRLZEFB-DEOSSOPVSA-N 467.526 0.498 30 20 JCED Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)cnn2c1 1836949543 NOQMFILSACJONM-RVEDOPBZSA-N 466.498 0.820 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836986387 SVSLICHTEALEHM-COQMUBBDSA-N 471.514 0.933 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1837396500 IDLKRJWDFVGSLZ-KBMIEXCESA-N 484.553 0.646 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1837397129 RJDOZTCZOYNDAI-HOYKHHGWSA-N 481.590 0.883 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1837405493 SALWTUFJZDBSJW-CPJSRVTESA-N 473.570 0.836 30 20 JCED O=C1Cc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)ccc2N1 1837443771 IYPOLVDPQZYTKZ-SKLAUCLBSA-N 469.542 0.723 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445152 HAQWMADQVVIQCS-RZZUAFPKSA-N 481.594 0.828 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1C 1837490837 RPYXEUYMMMFDMW-HSZRJFAPSA-N 460.531 0.197 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CS[C@H]3CCCCO3)CCO2)C1 1837506466 PCCDITSPNKDZEJ-UGKGYDQZSA-N 468.620 0.984 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837646745 BRBQUEXKCPKYGO-JPYJTQIMSA-N 452.515 0.750 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NC(C)=O)C3)C2)c1 1838579338 JIXVUKSLSMHXRD-HSZRJFAPSA-N 458.515 0.552 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(C#N)c5)C4)C3)CC2)CC1 1839107808 ZOGOFNFCSSDXGB-DEOSSOPVSA-N 467.570 0.408 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NC(C)=O)C3)C2)c(C#N)c1 1839131772 YQRPPAISYOQNAB-XMMPIXPASA-N 472.542 0.480 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138963 SOFTVXXCEKXJCS-GCJKJVERSA-N 489.635 0.939 30 20 JCED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187346 XGHSEFQVISKRGK-QHCPKHFHSA-N 460.506 0.468 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839209585 ZJHOTKQGXZNASJ-FDDCHVKYSA-N 465.547 0.132 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1839224686 NUOBKXFCSQMXIZ-DSEONOSFSA-N 469.564 0.046 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1839226088 DOPRUHBQSUNIQB-SIKLNZKXSA-N 465.595 0.024 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)cc1 1839363708 QURJLRRWTGANDO-HSZRJFAPSA-N 467.482 0.397 30 20 JCED C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401167 CYELREPABCBUNT-BFUOFWGJSA-N 452.305 0.772 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839623827 DDHSQFIMHXYROG-XMMPIXPASA-N 463.469 0.990 30 20 JCED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839858534 ITOYLCJDKAZEPK-IBGZPJMESA-N 469.420 0.178 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCCOCCOCCOC)CCO2 1840082844 TVGDDLGRYBOWDP-XMMPIXPASA-N 484.590 0.333 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840164597 BVUCYAREQVZKFO-MRUHUIDDSA-N 473.592 0.397 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841961416 ODEBUCPIIXTQKC-LSDHHAIUSA-N 463.535 0.647 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C2CCN(C3CCN(C(C)=O)CC3)CC2)C1 1843951376 FENLVTUJCMDBOU-IBGZPJMESA-N 458.603 0.951 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(=O)OC)C2 1844215404 BTYJRCPJMJXKFE-MRXNPFEDSA-N 496.561 0.949 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)C1CCOCC1 1845157614 NOXHQDKEBLSEDS-KRWDZBQOSA-N 463.531 0.988 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1CN(C)C1)C2 1846366130 SJVDUCNXYFOWOZ-KRWDZBQOSA-N 479.578 0.557 30 20 JCED CN1C(=O)c2ccc(NC(=O)COC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc2C1=O 104868086 RBHSJMOVOPCZRO-UHFFFAOYSA-N 470.463 0.900 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 511305020 DVDXXVYPABRPSZ-SFHVURJKSA-N 464.544 0.281 30 20 JCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 516421597 MXCAOFHMNMEIJV-UHFFFAOYSA-N 492.536 0.996 30 20 JCED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 604167483 CZSZNPMFPNOQTJ-UHFFFAOYSA-N 484.538 0.690 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O 608910974 ABUSQRVGZJSMPT-UHFFFAOYSA-N 468.457 0.713 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 609220225 PQJKKZRRJGUHMD-UHFFFAOYSA-N 496.589 0.073 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1F 729672817 JUAAGUMEWIWECR-UHFFFAOYSA-N 493.582 0.664 30 20 JCED COC[C@H](C)NC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 729970316 ADAYGVIKWFENDG-AWEZNQCLSA-N 466.516 0.363 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)c1 774903372 MPSQXIUWIGAYPC-OAQYLSRUSA-N 456.480 0.719 30 20 JCED Cn1c(=O)c2cc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cnc2n(C)c1=O 838952372 HVKUVKITZOQNOK-UHFFFAOYSA-N 456.484 0.090 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 858005453 MSTOUMUEKFCQTD-UHFFFAOYSA-N 499.545 0.544 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)ccc1F 914659094 GPQZJCDKLPUFPC-UKRRQHHQSA-N 476.548 0.871 30 20 JCED C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)Nc1cccc(C#N)c1 914666460 YRMVAAKNDHVLCA-AWEZNQCLSA-N 456.480 0.863 30 20 JCED COc1ccc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 916775552 WGLYSEJAPMENFE-UHFFFAOYSA-N 479.536 0.848 30 20 JCED CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 919247854 RHDJJXZHKNYWTE-MRXNPFEDSA-N 491.526 0.812 30 20 JCED N#Cc1cnn(-c2ccc(C(=O)OCC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)cc2)c1N 919548908 DICJCFDGOUWROC-MOPGFXCFSA-N 487.538 0.678 30 20 JCED C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1301013153 LSWMCUMXQUWAPV-UHFFFAOYSA-N 479.973 0.416 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313972204 YXCIYZPSOBMQGO-KRWDZBQOSA-N 465.562 0.985 30 20 JCED CNC(=O)c1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c1 1554415122 LYEAYZKFKBXWPF-QAPCUYQASA-N 475.575 0.757 30 20 JCED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1617444845 VMIYOQMDKNFYHR-PMERELPUSA-N 466.589 0.579 30 20 JCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCO1 1661041904 LHTLXERZLBQMKB-GFCCVEGCSA-N 452.917 0.255 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1710484052 QMZFRFIFRDFSOF-GJYPPUQNSA-N 454.553 0.083 30 20 JCED COCCN1C[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1712469020 LBJHOPQGZFFDPO-QINHECLXSA-N 467.596 0.513 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1723956243 LFDROKXVJRLOSM-JKSUJKDBSA-N 453.569 0.410 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CCS(=O)(=O)N(C)C)CC2)c1C#N 1742669714 PUVHHRUTBFBZCS-UHFFFAOYSA-N 461.596 0.677 30 20 JCED CCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1746505753 RIJULWWDOZBESL-QZTJIDSGSA-N 458.544 0.707 30 20 JCED COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1769478179 URSWIDFGHLYFBG-UHFFFAOYSA-N 453.503 0.954 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778277711 YZLWCGDRVTXONI-ATIYNZHBSA-N 483.613 0.999 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778576694 XURJHSOAZUWGGQ-QHCPKHFHSA-N 457.483 0.970 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1779103066 NFXRGYLIIFEHHM-NXLSOHMPSA-N 451.398 0.451 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)ccc1F 1779527998 BLJWWSKTANQJAW-JOCHJYFZSA-N 453.430 0.872 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn3[nH]cnc(=O)c3c2C)C1 1780019074 XJTIGGYHFBJOHY-HOYKHHGWSA-N 485.541 0.968 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc4n(n2)CCNC4=O)C3)cc1 1780408103 FUPUQDKHQAHNPH-HYBUGGRVSA-N 462.510 0.939 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1781265555 QNNORRVYNUEFIU-INIZCTEOSA-N 454.373 0.681 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2 1781696515 FPMCVRFRJJJGOP-XCGNWRKASA-N 451.520 0.590 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015227 BRTFKYDCXPCFAI-SEPYTNNBSA-N 463.531 0.988 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C1)C2 1783567886 GPBSUDVKHVIUFV-DSFVOBFGSA-N 461.515 0.692 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1783991787 CMFDBOFYZNEINR-UQGVDKHISA-N 478.546 0.564 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1784371244 RCPSPMLGISRBFQ-YDAQHGTASA-N 485.566 0.787 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1785307903 QJLRJUWGEINETO-IECBHUPTSA-N 496.605 0.827 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785367363 LDJYXNGQCPAZQH-ZHRRBRCNSA-N 450.536 0.786 30 20 JCED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C[C@@H]21 1786702401 VIGZXRJPPOPUDL-LNLFQRSKSA-N 467.530 0.463 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)[C@H]2C1 1788481435 CQKAQAMUGAGFEC-XSLAGTTESA-N 478.594 0.146 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1788641691 AOSPXVCGQYFGHG-BLKABHOGSA-N 487.509 0.412 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)[C@@H](O)C1 1789344879 HPGCHVIEBBQHMQ-TXTPUJOMSA-N 487.557 0.707 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1789840809 NZJMWCMMZQXSKP-YHDCXSKOSA-N 490.601 0.799 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(Br)cc(F)cn4n3)[C@H]2C1 1790522639 PXOUPRKUGRLTQU-JKOKRWQUSA-N 494.277 0.312 30 20 JCED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C[C@@H]2C[C@@H]21 1791072925 HXSSNIXZWUYCIE-QQCJEOGWSA-N 461.515 0.452 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1792224180 ZUMIHVRDJAETAP-LUKYLMHMSA-N 478.546 0.726 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(CNC(=O)OC(C)(C)C)CC1 1792545076 MCSOQZJKXNXVGF-WQUHTSSASA-N 476.574 0.739 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1792569733 MDEIDYXEXXRMPI-RDPQLHTDSA-N 476.574 0.855 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC 1793314078 CTEPVGKHCIGUAK-KYHPRHEASA-N 473.592 0.480 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C 1793488987 JLVDLKXXOREICJ-HMGBVJPOSA-N 479.574 0.639 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795409691 MXCOWBSBJKYTJQ-HMBPXDFOSA-N 482.603 0.542 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1)c1ccccc1 1795729873 DHCKZZZJGTULEI-VQQMMKBISA-N 474.521 0.818 30 20 JCED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)NCc1ccccc1 1797809934 IREKJDGKDDUTFU-LFNUZRHTSA-N 484.553 0.978 30 20 JCED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)no1 1797829175 MZZRDJBCZHHEAY-FAQVEIGNSA-N 469.473 0.556 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c(C(=O)OCC)ncn2C1 1800324617 ITUQWMACMQJTMS-CBNQQXHVSA-N 472.542 0.250 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1804389043 DKPOKXAGMVLAKD-QRFRQXIXSA-N 493.568 0.747 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811185126 QXPRLONYXCEBAT-APWZRJJASA-N 464.530 0.572 30 20 JCED COc1cc(N2CCC(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)CC2)ncn1 1812872844 IBTPHTAYWFOJCD-CYFREDJKSA-N 492.536 0.891 30 20 JCED CN[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1)C(=O)O 1817367130 FVNGPIBSHVWPFY-FVFYIAOASA-N 450.496 0.994 30 20 JCED COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1(O)CCCCC1)CC2 1820190394 CBFKOOGYDWMRMU-WBVHZDCISA-N 462.572 0.905 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1820893038 PXUITSITSUZLCI-QGZVFWFLSA-N 481.575 0.642 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cccn1)CCN2C(=O)OCc1ccccc1 1829018510 QTSXGGCTLMWRKH-DEOSSOPVSA-N 479.493 0.423 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1829333738 DLNTXJDOTUIIBO-NPJCXYKHSA-N 491.504 0.963 30 20 JCED CCC(=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829335032 QRVNNIDGGHOJDU-HSZRJFAPSA-N 455.467 0.506 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3COc4ccccc4O3)C2)C1 1829762547 LOOHEZOGEJLQJH-VNBJOJGYSA-N 485.537 0.531 30 20 JCED CS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830467227 YFVLITKJQNRAQG-FQEVSTJZSA-N 454.932 0.193 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(NC(=O)OCc4ccccc4)CC3)C2)C1 1831392959 RRPCEKMNVHVXCI-NLFFAJNJSA-N 499.564 0.940 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831396801 KEDUPMXZPXTWGZ-JXQFQVJHSA-N 479.574 0.738 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(NC(C)=O)c3ccccc3F)C2)C1 1831398947 NFPJBPFLRHEXEE-MUEKUWCCSA-N 489.544 0.672 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCNC(=O)OC(C)(C)C)C2)C1 1831402778 RGPVFJGJEWUNOW-FDDCHVKYSA-N 467.563 0.786 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1831484965 JVWBBSURZWFFIQ-RXVVDRJESA-N 485.628 0.651 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832101182 MWKKIDRMMMVTHS-QVKFZJNVSA-N 461.544 0.136 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1832454659 WIQVVVYYYJRKQN-QHCPKHFHSA-N 476.599 0.907 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1832460955 LJQIMFGDZNJZEM-FQEVSTJZSA-N 466.516 0.132 30 20 JCED Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1833131447 GFRNYWXSUROVBE-TUFUWLCISA-N 460.531 0.918 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccccn1)CCO2 1833187257 IPMOFCJOEZYZPN-FLFXYHILSA-N 460.531 1.000 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)c(=O)[nH]c1C 1833386635 HKUUEMZCYGRAOQ-NFOSPISASA-N 486.550 0.957 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1833399765 FKKDAUKXXUVNCU-JOCHJYFZSA-N 495.554 0.065 30 20 JCED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CN4CC(=O)NC4=O)CC3)CC2)cc1 1833712570 HQGUCEAKDLWYNU-UHFFFAOYSA-N 466.542 0.490 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COC)CCO2)C1 1834975094 VXXBVWFOSBQFSI-JPYJTQIMSA-N 467.563 0.786 30 20 JCED CN1CCN(c2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cc2)CC1 1835339262 JMDDNITZKGEJBD-RUZDIDTESA-N 467.570 0.812 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1835364906 KWZRWGIVGGNCNN-HSZRJFAPSA-N 452.467 0.490 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1835441428 XUOOXZKQQJLEJK-DEOSSOPVSA-N 475.973 0.870 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835657358 NQPYLVAJVKZVHT-ZHRRBRCNSA-N 497.618 0.376 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1835675343 OOGNQIVXJQXVDQ-HSZRJFAPSA-N 469.546 0.170 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1cccnc1)CCO2 1835691687 PKCTVSAKGBWPQM-JPYJTQIMSA-N 460.531 0.848 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cccc1C=O 1835955932 QFFPTCYGMNKPOI-QHKZZKMGSA-N 459.547 0.790 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)cc1 1836130884 UMPGLJHYDHUVLW-XMMPIXPASA-N 466.494 0.846 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836170617 IHCVNTDLNJBQME-JOCHJYFZSA-N 480.573 0.542 30 20 JCED Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CCO3)cc1O 1836320396 AMIBOPSZGJNWBO-FQEVSTJZSA-N 494.430 0.795 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836653130 AEFPLFCAELDFBS-GBXCKJPGSA-N 458.511 0.956 30 20 JCED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(C)C 1837220800 DZXJCLLJUQLQJU-DVTXJBKOSA-N 469.535 0.560 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837394643 FXPJIWBVARUUQD-KKSFZXQISA-N 452.483 0.426 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1837403717 ZFHOWUSIZQLTKS-DGGJZMOXSA-N 469.579 0.929 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1837532675 FAAXUWPAPYEJDV-WXHUKZBHSA-N 461.519 0.395 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533032 JKQAOWVSHOBDFF-POSBYCEFSA-N 476.530 0.834 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837690395 QGYKOCWDOYPNKB-KOSHJBKYSA-N 454.527 0.638 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838478057 ZAAKPDKINDIKTI-UYTRCOCSSA-N 476.486 0.409 30 20 JCED CCOC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)ccn1 1838738299 ZUGSULPNNXODQE-QHCPKHFHSA-N 467.482 0.842 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c(C#N)c1 1839131853 CRUZTSAQCVKIDI-HSZRJFAPSA-N 483.481 0.081 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1839185754 JZHWUGWBBJUDQI-WZONZLPQSA-N 485.578 0.311 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187179 OALIMEXHLSDFPP-BXKMTCNYSA-N 482.516 0.987 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839207282 NHPNIQQXVDLNNK-RCVICEBOSA-N 474.352 0.899 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1839229010 WYDHFHPVBZTUGC-AVRWGWEMSA-N 498.536 0.987 30 20 JCED C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401168 CYELREPABCBUNT-DJJJIMSYSA-N 452.305 0.772 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401472 JSDMAJQHDMVFSL-QKKBWIMNSA-N 493.358 0.915 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(I)c(O)cc1O)CCO2 1839469854 KUFCCZUMPSGLSJ-GOSISDBHSA-N 486.262 0.406 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-c4ccc(O)nn4)cc3)C2)C1 1840043732 QUNTZKPEIOHCNE-HSZRJFAPSA-N 466.450 0.007 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1)C(C)(C)S 1840111135 YUKHYXMNLFRJMA-SPLOXXLWSA-N 499.590 0.741 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1840169040 GCWUSFOQGWTXID-XMMPIXPASA-N 458.511 0.709 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1841599698 IFMBRFRAELBXCJ-QGZVFWFLSA-N 452.515 0.421 30 20 JCED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1)NC(=O)OC(C)(C)C 1842875541 UCLBZKLDMFWXII-OAHLLOKOSA-N 474.495 0.774 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842909769 MXBNYYMSOPJEGP-KRWDZBQOSA-N 460.579 0.727 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)(n2ccnc2)C1 1846196866 XQWPRROIUSLHEK-XMMPIXPASA-N 485.541 0.901 30 20 JCED C=C(Br)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1846296473 LKXBGLNPVGJSSA-KBPBESRZSA-N 474.400 0.668 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2SCC(N)=O)c1 16558908 MSCHCXAWTTYVEK-UHFFFAOYSA-N 461.521 0.971 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](C(=O)OC)c3ccc(Cl)cc3)CC2)C1=O 499028538 XZULKUMMNMJUFM-KRWDZBQOSA-N 462.890 0.675 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C1CCN(C)CC1 516372754 PWAZKFGAHJQAHD-UHFFFAOYSA-N 498.605 0.603 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)cn1 555544061 MAMMULWYLSDZQL-UHFFFAOYSA-N 463.475 0.992 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccnc3)c2=O)cs1 609038871 OXTJOFJZUZCEEA-UHFFFAOYSA-N 481.603 0.928 30 20 JCED N#CC(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577552 ROCUNEQSLJPEQL-UHFFFAOYSA-N 480.527 0.403 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCS(C)(=O)=O 729674206 GBLSCLYCNXJFDK-UHFFFAOYSA-N 468.000 0.883 30 20 JCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 742734257 YCFGSFJROSJFKF-SJORKVTESA-N 479.555 0.946 30 20 JCED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(=O)NCc1ccco1 744908118 LOPXJXJPYDOYKA-JHOJOOQCSA-N 475.527 0.852 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 749504289 NXCIPAFGSYQTGE-UHFFFAOYSA-N 454.508 0.357 30 20 JCED CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 877877275 VILZYTSDQDPUOI-XLIONFOSSA-N 485.584 0.753 30 20 JCED CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 915379230 ZWMXJOUVJIGSLD-UHFFFAOYSA-N 465.463 0.408 30 20 JCED CN1CCN(CCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 916705780 VCSOMYMOASVIHL-CLCOLTQESA-N 464.592 0.192 30 20 JCED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 917506917 KDOVRZBEWXOZPI-RBSFLKMASA-N 463.512 0.735 30 20 JCED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918267169 SOHAFQCPBDTATH-XLNRJJMWSA-N 487.604 0.226 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)c1 918581980 RDIQXSLJOWJVOY-UHFFFAOYSA-N 465.509 0.302 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C(C)(C)C)n2)c(=O)n1CCOC 920395382 PIPDIKCCHYKCMU-UHFFFAOYSA-N 464.613 0.966 30 20 JCED COC(=O)C1(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CCS(=O)(=O)CC1 1189630059 RIPFVHKOIOSRFE-UHFFFAOYSA-N 451.320 0.719 30 20 JCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1290865133 LRLUAFIWFVFCAE-FXAWDEMLSA-N 466.594 0.906 30 20 JCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1=O 1517418413 NMNOMNDTEKMHCW-UHFFFAOYSA-N 458.544 0.832 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1518656696 UXFKVCCMKOJOIN-UHFFFAOYSA-N 477.472 0.405 30 20 JCED CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1619503410 LNUPLYULWOACSS-WIYYLYMNSA-N 461.544 0.894 30 20 JCED N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2=O)cc1 1674716618 QDHHXIRAOXSHNQ-SFHVURJKSA-N 451.487 0.931 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696501714 IIVFMOHTPCDVHM-UHFFFAOYSA-N 469.575 0.816 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1696623013 JLUWQAMMAFYXMS-UHFFFAOYSA-N 467.559 0.825 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1711407239 VJMZZSWVPXAGRJ-QGZVFWFLSA-N 452.519 0.905 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCCC2)C1 1712707130 WQXZMXRQLWHCGU-CVEARBPZSA-N 454.553 0.035 30 20 JCED COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C1 1748319384 LDROBQMNYFRGOM-FQEVSTJZSA-N 451.531 0.980 30 20 JCED CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1766222888 JSOMGDKTQLXZBI-UHFFFAOYSA-N 494.600 0.714 30 20 JCED N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1771539427 XUZDQKIMDFBFNU-QGZVFWFLSA-N 463.589 0.371 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1778957960 NLNPFRAWKRMXFP-JLCFBVMHSA-N 453.503 0.586 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017972 ZKHMFJWPVNUJJX-KMQUJCGJSA-N 467.567 0.174 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021090 FKYNLAYBONHIRH-RTGFIBOWSA-N 456.547 0.502 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1)c1ccccc1 1779183693 BXLCAYVRBPHCIO-GLDPYIMESA-N 452.511 0.612 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)C(=O)Nc4cccnc4)C3)C2)c(C#N)c1 1779204404 GQTQBNNGZGKFSH-XMMPIXPASA-N 463.494 0.973 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)no1 1779364538 ZQKBLKHKKUSMFN-RZNHGUBLSA-N 474.562 0.698 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781044711 DSSCEYHOWRBLTQ-PDFGSZSQSA-N 486.569 0.410 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1781296720 UNWQJRSLPMLROK-ZHRRBRCNSA-N 452.552 0.941 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)C1 1781395665 RNVJXJCSQIHOTD-HXOBKFHXSA-N 457.531 0.971 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1783275967 JKVAXJQPMQIGQY-VWEBPMOJSA-N 472.608 0.587 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cc2C1 1783563827 BNWOXULIPUQDOZ-QHCPKHFHSA-N 487.513 0.165 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1783883422 IDTFRDZNZXOJAX-PONJGIIJSA-N 484.550 0.003 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1784505297 MTUNISBYWAQDRH-XUFBONQXSA-N 481.590 0.928 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2)NC(=O)OC(C)(C)C 1785308808 UWTVALOZQIBVHX-VGOFRKELSA-N 462.551 0.968 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@H]2C1)c1ccc(O)cc1 1788474642 AYNNCNZROKJKFA-PLSAHGCFSA-N 487.553 0.933 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21 1788565454 KSNYDVPCURXOBG-VTCANLHHSA-N 457.531 0.868 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1788573679 GDUWPOYZUJGDDB-VMXHOPILSA-N 483.606 0.815 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 1788657051 XIIJCNKMIHDEPA-DZGQOQNKSA-N 478.571 0.987 30 20 JCED COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c([N+](=O)[O-])c1 1790288086 CYMRILUIQMAJMV-QRTARXTBSA-N 459.411 0.063 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1791264091 ZLCNRPWWBVOJDF-JNNCMOEMSA-N 457.593 0.512 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21)c1ccc(O)cc1 1791335099 MBLYJZHFYXVWRY-LGGPRVQUSA-N 479.533 0.794 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2 1792491277 GPQNGVGHWXUZMJ-FXSBOJCJSA-N 494.589 0.099 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)cc1 1793010703 CDBHOCUSZVHDRE-JWVYWZTKSA-N 485.566 0.765 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1CC(=O)N(C2CCCC2)C1 1793777173 KXVOXISRXGADGV-PQHUWJQRSA-N 459.591 0.839 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccc(C)n1 1794150869 WJDXKGAHVQZHIE-DMUMMCEESA-N 459.547 0.698 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(-c2ccccn2)nc1 1794257753 MCQWSDRDSYNVJD-MZNTUGIBSA-N 462.510 0.600 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795274529 JELPEYWLDVWURZ-LNWLOANASA-N 475.545 0.807 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795580440 TXOMEJKNXNLDLG-XAPVIXHLSA-N 498.584 0.287 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-n3cncn3)c1)C2 1795600086 SBEKKDLMJRMSST-OPVJXMOQSA-N 451.531 0.752 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1795601219 VCUMHQAOOZVUGX-YHELAOLJSA-N 452.559 0.624 30 20 JCED CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795997588 SGIZJQIHTXDFAV-FVCICTRLSA-N 453.421 0.701 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796445892 CMXVBPIQVNHCIN-VCKQCMOXSA-N 478.523 0.571 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796480756 ODCFZCQMAVGVQV-MNDZRTMASA-N 454.527 0.942 30 20 JCED NC(=O)[C@@H](N)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#Cc2ccccc2)cc1 1799613518 FGLHFSDNCYIORZ-AANQFLQQSA-N 474.561 0.882 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C2 1800779498 MCTGGWKSBKVOJC-PCCFMPIBSA-N 484.234 0.788 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCNC(=O)C2)C3)N(C(=O)OC(C)(C)C)C1 1801103636 TUXXRAZPTNHMSK-JNIAIEOXSA-N 476.574 0.668 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)c1 1801990040 YNODPRNTKTVAKA-OPMZPASUSA-N 484.534 0.639 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1804188789 VJTMOKYIRVGSSN-GQYHHGBWSA-N 452.471 0.351 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1808879091 XHRNUCNRCHVUCN-VLIAUNLRSA-N 453.411 0.801 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1810248686 GWEGGYKKOTUOHX-QNWVGRARSA-N 471.602 0.825 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C(O)O)[C@@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1813164772 ZWGNOTLWQSUUCP-OKZBNKHCSA-N 460.531 0.964 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1819363592 HXRGFYDRVZHZOE-ZIAGYGMSSA-N 455.479 0.415 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819770060 GQZOOKMAXQNIMJ-WAUIOQPVSA-N 470.621 0.855 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)[C@H](O)C1 1825660177 CFWJJKSDXXOJFM-KCQAQPDRSA-N 492.554 0.761 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807889 XFZNDDIUGJXOMU-WMZHIEFXSA-N 487.513 0.417 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCN2C(=O)OCc1ccccc1 1829257076 OGXQEVLQJOAIAQ-IUKKYPGJSA-N 457.458 0.885 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCNC3=N)C2)C1 1829342577 LUAZFWGIMZJYQQ-GAJHUEQPSA-N 488.614 0.597 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1829770358 LHDPETOVPMCENA-IYZQMXKPSA-N 453.499 0.263 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3c[nH]c4ncccc34)C2)C1 1829773641 PGHTVGWPZYQHLD-YZRXDEHNSA-N 481.553 0.810 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1829777364 XDJHEFDCNYEFSR-STISWTSRSA-N 484.553 0.120 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13COC[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1829846607 ZDGPTHDKOSKNBZ-DODAUVCRSA-N 499.630 0.645 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1830343343 YMZRXXZYGZBFBS-QGZVFWFLSA-N 459.480 0.840 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CCO2)C1 1831109694 VBPHRACRAXWNCJ-MZEQIWSPSA-N 483.565 0.530 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(OC)c3O)C2)C1 1831398342 AERMUEBBGBFXCG-WAIKUNEKSA-N 462.499 0.518 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1831997899 HSXNFBBWJVQRFE-HTAPYJJXSA-N 478.550 0.204 30 20 JCED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1832825101 NLBNXOMZJNTOTJ-GOSISDBHSA-N 468.558 0.467 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)C=CC4=O)CC3)CC2)cc1 1833041231 JQBIVFRZBDSCKZ-UHFFFAOYSA-N 477.565 0.987 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)CC1 1833477351 RCXFHUWMWPXKAN-KRWDZBQOSA-N 461.563 0.420 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CC(N)=O)C3)C2)c(O)n1 1833695934 KKSHATAGFNDGGJ-HJPURHCSSA-N 460.531 0.487 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)c1cccc(=O)n1O 1833962010 YNQJIBUDVMCOHQ-UHFFFAOYSA-N 470.570 0.969 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834766124 YQOKXYQGHSULQT-KSFYIVLOSA-N 482.534 0.203 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835208409 IPHSELXPLUKIDO-JTSKRJEESA-N 453.536 0.348 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835494025 BXMLMZNAXMFCIZ-DEOSSOPVSA-N 481.557 0.619 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c(Cl)c1 1835542638 XPZMTBYXHAWIKP-LJQANCHMSA-N 486.849 0.006 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1835677161 JVGYUABSYJXTDI-QHCPKHFHSA-N 454.531 0.686 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)ccc1F 1835705763 LAGKUUGBRPUCKR-VWNXMTODSA-N 467.501 0.791 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837211062 GHLCBFATLYXILI-UTKZUKDTSA-N 480.905 0.346 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1 1837279296 UNSSKKJXXJSESU-MWTRTKDXSA-N 467.530 0.717 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837499184 FCZXEWQYDRSFEI-REWPJTCUSA-N 473.482 0.123 30 20 JCED O=C1Cc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)ccc2N1 1837529199 QBDUZWBGAYZUIL-LCCCKJFOSA-N 486.525 0.780 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530201 JVTZXIVFVWJIEJ-IQZTVQLZSA-N 468.595 0.950 30 20 JCED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)no1 1837531074 BSTRXNJYMCEVST-WCNTUGILSA-N 450.492 0.836 30 20 JCED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n(C)n1 1837531661 SMABBTIWEQRAJE-MBIGCVILSA-N 463.535 0.582 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837689392 WPOUOAUJUXFZPX-JPYJTQIMSA-N 461.515 0.375 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)C[C@@](C)(O)CC(=O)O)CC2)CC1 1837869352 LFVADRVBWURVDW-HSZRJFAPSA-N 466.579 0.883 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)nn1 1838352726 RPNJMJVNTHFPEN-JOCHJYFZSA-N 455.446 0.880 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)NCc4ccccc4)C3)C2)c1 1838733028 KWMPGIMMLXJESY-NPJCXYKHSA-N 477.521 0.829 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)c(C#N)c1 1839132156 WFYIPQNMGBVGGI-QHCPKHFHSA-N 453.499 0.532 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)c1 1839361689 ZDQVIZLLKICDQA-XMMPIXPASA-N 498.561 0.935 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4[nH]nc(Br)c4c3)C2)C1 1840042387 SASQLGGUMLTDBG-FQEVSTJZSA-N 491.298 0.483 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044885 FLXMWGUCJYWVDW-QQMNAOGKSA-N 479.530 0.224 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOCCOCCOC)CCO2 1840077732 IHIIUPJKMGVENA-QHCPKHFHSA-N 454.564 0.706 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)COc2cccnn2)CCO3)c1 1840408113 HKVRLESHRJRVGT-XMMPIXPASA-N 465.510 0.816 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1)NC(=O)OC(C)(C)C 1840795399 GGFUYZOZZVNDFS-JXQFQVJHSA-N 478.590 0.830 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1840820917 QBLKLHKGOCTYBH-SCPLRKQGSA-N 457.527 0.945 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1840913972 RWJCQMDWOQPYNI-ADCHYERDSA-N 479.574 0.949 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1841597959 FCAWLJUEMJORKX-LUFHRXKISA-N 469.604 0.890 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)C1 1843169390 MJSWMPKUEWOQOL-OAHLLOKOSA-N 453.421 0.940 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(OC)c(OCC)c(OC)c2)c1=O 507034870 JGCCAOBLJUVZRC-UHFFFAOYSA-N 485.562 0.874 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C1CCN(C)CC1 518715433 MTUOXDLTZCGZSE-UHFFFAOYSA-N 455.584 0.617 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc(Br)c1O 589159322 NPXZKIBHSHVMLX-UHFFFAOYSA-N 494.367 0.990 30 20 JCED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 603604768 FUQOTGZEDVKEQE-UHFFFAOYSA-N 451.530 0.283 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)c1 729502409 HOYSZVDXDJAXSA-HOCLYGCPSA-N 458.558 0.732 30 20 JCED Cn1c(=O)c2c(ncn2CCC(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)n(C)c1=O 792637548 HAOHLYDWOOGOFC-UHFFFAOYSA-N 472.889 0.967 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)ccc1F 914467407 AHACTDMIEMLHKZ-UHFFFAOYSA-N 462.569 0.634 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 917276406 GKBDFIKKJVDYAR-INIZCTEOSA-N 492.579 0.499 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCC[C@@H](NC(C)=O)C1 919016876 UJFFHWUDROHYFA-MZNJEOGPSA-N 468.510 0.822 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1298327721 YHFFTDJOELPTKH-OALUTQOASA-N 476.559 0.534 30 20 JCED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC(=O)N1C 1305155515 OMXUYBRZDCZOAI-CRAIPNDOSA-N 457.560 0.908 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359077174 WGLHHJLNYCDPGO-RYUDHWBXSA-N 470.415 0.810 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCN1CCCO 1360676987 YZGPQCMOZOGMMF-IRXDYDNUSA-N 453.613 0.865 30 20 JCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1459748393 JEHKKWXDKSGZEI-NRFANRHFSA-N 458.588 0.557 30 20 JCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)F)CCO1 1505322223 KMJGDQDOGMLXNW-CABCVRRESA-N 468.486 0.996 30 20 JCED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1=O 1519198302 XIPKIGVDBOOLKA-MJGOQNOKSA-N 472.571 0.935 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1541935764 SEBHSBOAVLATEA-PBHICJAKSA-N 458.610 0.843 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(C)COC1 1541943088 PKLWXGPKKBLIBG-OAHLLOKOSA-N 460.564 0.518 30 20 JCED C[C@H](CC(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 1635080246 ZUGLRERGOKQCNR-YCPHGPKFSA-N 456.590 0.728 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 1668035893 JTUYHGMNCDMUDG-GFCCVEGCSA-N 454.509 0.758 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1705687882 KXJZRTXXPCSSAW-KBPBESRZSA-N 464.386 0.992 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1710884827 LBLHQUBPSVAPBX-GOSISDBHSA-N 475.575 0.440 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCO1 1731191103 YYMQDYLSBYXTCX-SOUVJXGZSA-N 462.498 0.793 30 20 JCED C[C@@H]1CN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCCO1 1743335265 KQWVPTUBQGFVHC-QWFCFKBJSA-N 494.666 0.566 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1771364537 IMWSBEYYMAHPKK-LAUBAEHRSA-N 460.560 0.734 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1779225889 NVLLQDWCDGAETA-IUKKYPGJSA-N 474.562 0.661 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)CC1 1779364447 QLFQQBZOWHDALY-GRCSCBDFSA-N 497.662 0.644 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1781269604 BMEIYLCURQYLKX-YTZAWJCFSA-N 495.573 0.554 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(O)O)C3)N(C(=O)OC(C)(C)C)C1 1782301266 LMYUWMCPHTWQBW-WJONJSRFSA-N 453.536 0.377 30 20 JCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c(=O)nc1O 1783116426 QXDFMMXIYUPMGV-OHQOYROLSA-N 491.545 0.300 30 20 JCED CC(C)(C)OC(=O)N1CCC(F)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC1 1783574260 UNGYJGOLJUPAOL-ULQDDVLXSA-N 481.521 0.793 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3c(I)cnn3C)CCO2)C1 1783892507 BXZACSVFJKNVTQ-BMIGLBTASA-N 464.329 0.787 30 20 JCED CN1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO3)C1 1784787618 NOCAQASUSRTJIH-OPAMFIHVSA-N 470.636 0.980 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)CS(=O)(=O)N1CCCC1)CCO2 1785378466 DXSRPEHOCOMIAM-QFIPXVFZSA-N 476.555 0.193 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1785572535 OHACXEDVTYXTHS-KOSHJBKYSA-N 478.590 0.895 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1785578309 WRUOOGAEUKSCRP-HTAPYJJXSA-N 460.535 0.415 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1788657046 XIHIZMGMIYIMGT-XDQKLLRCSA-N 461.475 0.297 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)c1 1788677043 OGLVPKLDMVCBDF-JROFHVBBSA-N 474.539 0.791 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4ncnn4c3)[C@H]2C1 1789714635 YHLZHCICQVGTSI-CXLTZZKYSA-N 452.515 0.110 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3C2)cc(C(F)(F)F)c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c1nc3ccc(F)cn3n1)C2 1797815989 CEYTXFZPSDURQQ-OFQDYVNPSA-N 460.466 0.601 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798589882 OPSXMNGKGHBSGH-VLWCASSMSA-N 450.879 0.479 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2 1799233069 HBVIMCOLIGJQFQ-AJYBTWMASA-N 499.630 0.708 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1799233264 PYSCCJIZBNLROY-XLIFZOOWSA-N 490.601 0.799 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1799303504 CGMYEAIIXDLWSL-ZSBFGKGUSA-N 462.459 0.711 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2)NC(=O)OC(C)(C)C 1801929749 CHAAEGLEGAYCDI-AXVVYFOYSA-N 480.562 0.888 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1802236643 YCNQGFHBBQHQAH-UKBAYJJMSA-N 473.530 0.725 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)NCC)[C@H]1c1cccnc1 1802480143 BHRRBRBTBITVRU-DUUQOCSHSA-N 456.547 0.653 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)NC(=O)OCC)C2 1804375984 CJTHVVHMZYOFFT-IWSXDTNSSA-N 466.535 0.606 30 20 JCED O=C(C#Cc1ccccc1)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1806613366 FJLRZNTXHDUNBH-RCZVLFRGSA-N 480.590 0.870 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCN2CCOCC2)[C@@H]1c1cccnc1 1806951429 VBATUTDRLACANV-GWARFZQJSA-N 455.559 0.668 30 20 JCED NC(=O)[C@H](N)CCC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1807192790 XQSJCVVVOWASHR-WOIUINJBSA-N 455.559 0.379 30 20 JCED Nc1n[nH]c(CCC(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)n1 1810152234 PXCMGAAHFUPPOU-XIZBDOFUSA-N 453.551 0.892 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)Cc3ccccc3C2=O)[C@@H]1c1cccnc1 1812874653 WWGVCWJDKHBQCG-KBMIEXCESA-N 488.500 0.791 30 20 JCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)sc2C1 1824758203 ZVPSRWRLYWFCAI-WJPUGNRLSA-N 468.535 0.779 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828632961 UUCJRHTZQVHOFS-UUOWRZLLSA-N 496.524 0.340 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1829266613 AYAGXKJADRRPQW-VWLOTQADSA-N 467.570 0.319 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1829342263 IBSCJSUPTDHTFE-GIMINZRKSA-N 476.555 0.865 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)cc1 1829634726 WUIBAVDYMCKJJU-HSZRJFAPSA-N 454.483 0.741 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904267 MTIHSPBDZFZJIE-WZONZLPQSA-N 452.515 0.485 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468764 XJNUPZJVLLVPEJ-REWPJTCUSA-N 477.945 0.299 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CC)CCO2 1830526325 UEZVUZJEJRJGJK-XLNZFTOWSA-N 481.590 0.911 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831200745 MYNLPJCCCYGCFY-GWYVQQBTSA-N 468.551 0.278 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831402027 LMSBOTPZMKUGNM-XYOOIOGLSA-N 467.522 0.391 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1831604396 QDVLROLNJGTAEQ-RBZFPXEDSA-N 483.447 0.554 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnccc1C)CCO2 1833008049 OIUUCDVZNVJKTR-ZKWSMMDQSA-N 456.543 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)CC1 1833075492 RSTNFABBWLKLJL-WAYWQWQTSA-N 456.591 0.999 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833411202 BBHHWZQTXCUTGO-MWTRTKDXSA-N 491.545 0.112 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 1833771977 SRYGTNJXVDUPEY-UHFFFAOYSA-N 485.585 0.892 30 20 JCED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)cccc1=O 1833869989 YCJJTWIRHOBFNH-VWLOTQADSA-N 464.522 0.960 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)CC2=O)c1 1834753675 PMIOMCYWVUIHEQ-GAJHUEQPSA-N 456.499 0.418 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1cnc(O)nc1O 1835070383 KKBVZWQXKZSHLE-BUVRLJJBSA-N 459.551 0.545 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835341818 AJWROCJTDMILPL-QQMNAOGKSA-N 478.546 0.117 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1835675235 YWYKJVYBUZGJAG-AUSIDOKSSA-N 458.563 0.210 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2ccccc2=O)CCO3)cc1 1835993536 ZOUZLHOAMNVHOV-XMMPIXPASA-N 450.495 0.419 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nn(-c3ccccc3)c3c1COC3)CCO2 1836390893 KNNVHXNNVBMGGG-QHCPKHFHSA-N 451.483 0.886 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnc[nH]4)CCO3)C2)c(C#N)c1 1836488286 LFOMDRSHNLFNOA-QHCPKHFHSA-N 453.499 0.532 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)c1 1836678273 QJSPZDYHAJDNNA-NBGIEHNGSA-N 469.586 0.631 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837046744 VNNADGAZJMOCKT-UHFFFAOYSA-N 464.519 0.046 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837211429 MVIDMYZKTJWLOT-PGRDOPGGSA-N 460.487 0.001 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1837309119 JVGIJIJIFMXJNL-NZQKXSOJSA-N 483.631 0.883 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1837394508 CEAKCGAFPGUYLT-VGSWGCGISA-N 451.495 0.872 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1837397337 PFWXIFRWBWXLCC-YKSBVNFPSA-N 494.610 0.662 30 20 JCED O=C(C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)c1ccccc1 1837527539 PKDISQBSEUGJQE-ODMQBNIASA-N 459.499 0.855 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1837531004 WBTNHKIAPBNEFG-AKYNLRIBSA-N 451.545 0.847 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531746 VXISIJXOLMMABC-YGLOEYOESA-N 468.551 0.277 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1I)CCO2 1837963666 WJJVXKGHEZPMPF-INIZCTEOSA-N 460.272 0.660 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)nn1 1838352693 PQEXFJKVVIRSAS-QHCPKHFHSA-N 477.481 0.617 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838509873 LJZIXPRFOCUKAS-OAQYLSRUSA-N 473.559 0.438 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCN1Cc1ccccc1)CCO2 1839031476 WAZVXTITDRHPJR-SQJMNOBHSA-N 469.538 0.586 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839106622 RMQTWFWVUXZULI-GHTZIAJQSA-N 454.637 0.177 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)c(C#N)c1 1839131963 KMXLWBWSTWXDDE-UKILVPOCSA-N 479.537 0.661 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@]4(C)CCCN4)C3)C2)c(C#N)c1 1839132921 WBIYEYLOGYLLAD-RPWUZVMVSA-N 456.543 0.708 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839185421 YUXFTQRQYSYJKV-SBUREZEXSA-N 482.578 0.391 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1839185791 LSBQPGWMNGHMFN-BSRJHKFKSA-N 482.578 0.437 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839379119 UMTXIOSBXJXWQS-MBSDFSHPSA-N 455.515 0.928 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)ccc(O)c1F)CCO2 1839409562 GUTQJEHARLDFPP-QJKPHDSHSA-N 465.453 0.599 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C1)C2 1839738747 GDXKHWBZVDRZNF-WCJKSRRJSA-N 480.587 0.397 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1839783335 AGSDJNCGBFQWCC-KNQAVFIVSA-N 477.539 0.214 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)C3)C2)C1 1839808597 VXFOSNHVAKKOAJ-IERDGZPVSA-N 471.501 0.968 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1839844182 FJCNIZLNKZAYEQ-GSRZOBFVSA-N 481.590 0.883 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1840171696 VGBSHLUXTDUKAD-JOCHJYFZSA-N 455.552 0.950 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1840233153 OPSHRDUCNPTBLL-QZTZHPFYSA-N 494.589 0.438 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840783290 XROCBIGVMPOUDU-SKZKPWFZSA-N 462.522 0.860 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)NCc4ccco4)C3)C2)CCC1 1840814306 AGVDOELIUKOCHA-OIUIXCLQSA-N 456.499 0.602 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)C(C)(C)O 1840916401 HFQDDBYJQNJQSY-VGOFRKELSA-N 468.551 0.411 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843009940 ZLEJCLZBPAMHTQ-CQSZACIVSA-N 469.502 0.151 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1844235981 KRJYUWTWCABHER-SFHVURJKSA-N 455.559 0.798 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846247083 DANLFSRIWZUEHW-HZPDHXFCSA-N 477.514 0.324 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]cc1I 1847264262 ZVADBMIERHILOA-LDIIPZEWSA-N 469.283 0.688 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 498746995 RPSRCVJBCWYRAD-UHFFFAOYSA-N 470.555 0.742 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc(Br)c2)c1=O 502049477 IFPXOLKNWMZKTM-UHFFFAOYSA-N 483.413 0.222 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1cnn(CC)c1 523182029 RIEJVVGJVDXYAB-UHFFFAOYSA-N 490.524 0.640 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NCCCNC(=O)c2ccc(Br)cc2)C1=O 588049200 FBDMOABMVTWGMW-UHFFFAOYSA-N 451.277 0.662 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2C2CC2)CC1 590996864 AQBDKUXWMDECMI-UHFFFAOYSA-N 468.579 0.929 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(OC)c(F)c3)c2=O)cn1 608883490 DNLUMWSMZSIXPX-UHFFFAOYSA-N 496.520 0.812 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCCO2 619538678 RITIOTQGKBNPSM-UHFFFAOYSA-N 478.530 0.721 30 20 JCED CS(=O)(=O)c1ccc(C(N)=NOCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 726788643 UFVMNUDSEBDERN-INIZCTEOSA-N 457.574 0.685 30 20 JCED CN(C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C(C)(C)C#N 728721413 SGOXIJMJLPWXPV-ZDUSSCGKSA-N 462.322 0.392 30 20 JCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 742734238 YCFGSFJROSJFKF-IAGOWNOFSA-N 479.555 0.946 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NCCc1ccc2c(c1)OCCO2 913173733 NMZOTOZYTOVGEC-OAHLLOKOSA-N 473.507 0.898 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 914757068 KNWZULNMDZXIGK-UHFFFAOYSA-N 454.468 0.952 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 917272456 LUXQYBOCWXTDSL-IBGZPJMESA-N 491.591 0.985 30 20 JCED COCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918406783 KNUWTVGMWHCXNR-PLRJNAJWSA-N 493.586 0.439 30 20 JCED N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)C2=O)cc1 1478569291 VYVVCFKJEPBJCJ-YADHBBJMSA-N 454.575 0.755 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1505137651 LDNYHANSUAYUJU-UHFFFAOYSA-N 485.492 0.967 30 20 JCED CN1CCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1517423789 XCOYNEJPFAUQHA-UTKZUKDTSA-N 498.629 0.079 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1619913073 UFSLUUWKEAECCZ-QGZVFWFLSA-N 454.597 0.657 30 20 JCED CNS(=O)(=O)c1cccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1625381407 QNMYICQGSSNERX-ZDUSSCGKSA-N 450.542 0.728 30 20 JCED CC1(C)CCCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1692857711 KLOOQRALBKMJNZ-ROUUACIJSA-N 481.623 0.462 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1722794422 QTRORCWMJZYTHT-UHFFFAOYSA-N 467.530 0.646 30 20 JCED CCS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1729222592 NJRMHTWYCPOFBW-UHFFFAOYSA-N 486.602 0.652 30 20 JCED COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)OC 1749344473 LEXHFCCUARXZNY-IEBWSBKVSA-N 455.519 0.946 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1761271941 STLHBFHBSUJPLQ-MAUKXSAKSA-N 458.610 0.638 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1766994393 LFYLWQFDXKVHQQ-KRWDZBQOSA-N 494.599 0.388 30 20 JCED CS(=O)(=O)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771353389 IFUDSKPKCHCILT-SFHVURJKSA-N 492.627 0.960 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014336 FTOKGXREGCAGJP-HYVHXZLSSA-N 491.589 0.867 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1779201725 VELJXWWDDOECSY-RZFNWQHOSA-N 474.514 0.515 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779545044 OMRMTEXALAIJCO-OTYXRUKQSA-N 450.302 0.776 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780248876 UXUBTVMMOXXSGI-MZNJEOGPSA-N 487.557 0.910 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1781309912 CGXCPDHPYZSPPM-YDIMBITNSA-N 486.525 0.796 30 20 JCED CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc(C#N)cc1)C2)C(=O)C(=O)O 1781537141 PVPPGRODBBNNBE-NTKDMRAZSA-N 470.526 0.548 30 20 JCED O=C(CNC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1782238178 BINQRESMXCHGHS-RQMIDBHPSA-N 458.437 0.891 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN(CCO)CCO)C3)c1 1782972748 BKMQNWKHQNLIAQ-UWUFEASWSA-N 472.586 0.728 30 20 JCED Cc1cc(O)c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1Br 1783563477 SBNJOIVTUOVBMQ-IBGZPJMESA-N 451.273 0.995 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783991022 UDJPXIDQFPATSF-OKYOBFRVSA-N 469.579 0.835 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784914927 NOKWYAYTOBQVPA-AVGNSLFASA-N 466.432 0.603 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2)NC(=O)OC(C)(C)C 1785306154 IVFDANUOCHXJLT-UZUQRXQVSA-N 478.594 0.516 30 20 JCED Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)c(=O)nc1O 1785353224 HNRQOHQHKKGHJR-QHCPKHFHSA-N 477.481 0.149 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1785573740 ZITRURVDICKQCO-WZONZLPQSA-N 458.515 0.680 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785609278 YMGSVWQWQZPNCM-AOMKIAJQSA-N 450.536 0.389 30 20 JCED CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)nc1 1785711504 VBNXHFNPNJCEKR-CUWPLCDZSA-N 489.594 0.777 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1787422049 NJPXAJGPRDLZPQ-XSLAGTTESA-N 462.547 0.906 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1788639182 ICRJVWBMACPBHY-TUFLPTIASA-N 457.483 0.646 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327898 FDKXYGGJKXZVRH-CAIZAGQASA-N 452.515 0.943 30 20 JCED COC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5ccc(C#N)cc45)[C@H]3C2)CC1 1790330703 OMQMZRMJGIAPOU-ZVZYQTTQSA-N 451.483 0.981 30 20 JCED C[C@@H]1[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CCN1C(=O)OC(C)(C)C 1791079268 ARPCWJWUTCJBAH-FPSMNIFISA-N 463.531 0.700 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)[C@H](O)C1 1792451613 JUCWOHPUQQKJSZ-NDLGOLERSA-N 487.557 0.707 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1792814803 XMDAXWVONDXDSS-OPMZPASUSA-N 477.521 0.870 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1793347725 IKBSYLIGRIQACB-NRUGXNMXSA-N 481.546 0.071 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O)NC(=O)OC(C)(C)C 1793436033 MFPFQVKQULYCKM-WNSDDWSPSA-N 466.579 0.947 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1793592207 ASELKYUBJPCPSZ-OGJJZOIMSA-N 464.563 0.572 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1793830258 RSRCXMIORNOXBO-QKPAOTATSA-N 463.535 0.646 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(Cc2ccccn2)CC1 1794158364 UXJCNGZPJTURJO-WRHDZBKDSA-N 454.571 0.922 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(=O)nc4cccnn34)c2c1 1798498219 KKRTXVRUBBWAJB-USGNIVHTSA-N 484.476 0.354 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799085973 MAMHIABJMWDCEM-WEMPKCCASA-N 496.568 0.778 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(C)C1 1799120756 PATOMJRSDHWJTO-OMZCGLGVSA-N 462.591 0.834 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O 1800517381 QTIILTYYJQSNEA-YYAJDYIMSA-N 452.552 0.701 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C(F)(F)C1 1800781198 NTWLSSGTNPWJFZ-QOIOWGMHSA-N 499.511 0.946 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801531471 MYACMNHOKQSZBK-DMUMMCEESA-N 499.630 0.708 30 20 JCED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)no1 1801995860 VOEXEFNVZXYLLA-FAQVEIGNSA-N 467.482 0.253 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803034499 GYDXYLNBEGZLLK-TXPKVOOTSA-N 460.487 0.061 30 20 JCED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1804173160 MPSVZLYPNSZWAF-KSSFIOAISA-N 454.516 0.446 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2c2cccnc2)c1 1806085097 YINKFASCVNXBSZ-OXJNMPFZSA-N 458.482 0.855 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1814212761 ORWQMTQSUUMTHO-JGDUNROCSA-N 460.531 0.868 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1828580468 RHUYPDOXUGQPFX-AOUJKTHWSA-N 498.536 0.585 30 20 JCED O=C(CNCP(=O)(O)O)N1CCC([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828913504 YZEDAXGLRQJKKY-GNFOSXPUSA-N 457.512 0.803 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1829352282 CJQJUPGSONLHFK-DVECYGJZSA-N 471.558 0.607 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](C)S)C4)C3)CC2=O)c1 1829639221 FOPMLRKTPRCIRV-MFEFFIJZSA-N 477.583 0.823 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3COc4ccccc4O3)C2)C1 1829762556 LOOHEZOGEJLQJH-ZNWRTWMLSA-N 485.537 0.531 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1829770566 YMGMQGZFYVWTCW-POUSAUBHSA-N 492.573 0.168 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1829846097 NGDHBNUBRDXMJD-GLYQVZKVSA-N 492.573 0.630 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1829864535 KBNKBEPBSRSKCY-WMZHIEFXSA-N 458.515 0.308 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)[C@H]1SC(=N)NC1=O 1830460662 RNHWQMFHSUFWIA-GANZUKCXSA-N 499.593 0.750 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1F 1831223442 SRPOTIXKGIOVAX-QFIPXVFZSA-N 464.515 0.713 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)C2)C1 1831398713 JOQNFBBIFBEQKL-MWTRTKDXSA-N 491.497 0.720 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831696829 KKDSNAAMQCFUGA-XMMPIXPASA-N 482.541 0.667 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833024313 JEGHRKXPERIIRP-ICSGCJEQSA-N 480.587 0.404 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1833565401 KCGJKWWZPNKPCZ-JOCHJYFZSA-N 463.556 0.500 30 20 JCED N#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833833608 WAWOREOCFNLCSP-OAHLLOKOSA-N 456.547 0.868 30 20 JCED NC(=O)c1ncccc1C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833918868 RYYAFHPFILJYED-BOOTZKDASA-N 486.573 0.895 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1834714857 WIVBOJIHUUNXPX-UHFFFAOYSA-N 462.639 0.562 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)c1cc(=O)n2[nH]cnc2n1 1834797363 RYTOZZSLSMEQKZ-UHFFFAOYSA-N 495.584 0.301 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835117476 LRFJMFVZAQZPLN-SAHWJRBASA-N 480.562 0.191 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835393042 OODADFLDOZRKDE-HSZRJFAPSA-N 461.946 0.480 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1835682701 RMNGIBFSQWIUQI-HSZRJFAPSA-N 454.531 0.686 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)COC(=O)C(F)(F)F)CC2)CC1 1835687222 DXFNJSPBJZRAIS-UHFFFAOYSA-N 475.512 0.945 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732580 MLBIOJFULYHFPE-HHEUTOACSA-N 465.595 0.646 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1837400611 IMLKTLJMVDKNPL-FVJVTNMWSA-N 463.575 0.417 30 20 JCED N=C(N)SCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489773 UQLAPRASIFXACO-OAQYLSRUSA-N 452.577 0.158 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4cccnn4n2)CCO3)c1 1838426872 IHFPZOPTLRNCLP-XMMPIXPASA-N 476.493 0.993 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1 1838758916 QWPGPAHRAJCMJV-IGPUNGKJSA-N 461.567 0.575 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044543 MMNLAGJQRYZVFC-KSFYIVLOSA-N 493.586 0.149 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]1O3)CCO2 1839085963 UBOHGFLFNITTLJ-MIOZMULLSA-N 491.585 0.881 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn(C)c4C)C3)C2)c(C#N)c1 1839131997 MAJXSCLWNWWFER-DEOSSOPVSA-N 467.526 0.922 30 20 JCED Cc1cc(O)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1Br 1839419091 MGCZDRIKEYYQCR-FQEVSTJZSA-N 481.299 0.621 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c3ccc(Br)cc3c1=O)CCO2 1839633438 GUVCHVYYDOQMDF-NRFANRHFSA-N 474.311 0.994 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1839807653 DPJWGINCCUNBJJ-HSZRJFAPSA-N 473.530 0.337 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1839840504 GWAWIVSGJYLWIR-JLTOFOAXSA-N 452.533 0.120 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1839871441 IHRUZDJPGCCFPQ-UMEGOILYSA-N 469.538 0.482 30 20 JCED CC(C)c1nn2ccccc2c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041699 CPWNFECWNDZCCB-HSZRJFAPSA-N 454.483 0.616 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840071899 MOEOEIAAMQBUCN-QTLGCAHFSA-N 491.585 0.617 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)OC)C2)C1 1840108220 FUBIGCAYONYHOM-YVHKJVDXSA-N 455.552 0.947 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c([N+](=O)[O-])c1 1840162926 LHBRBSOVTYNTJD-JLTOFOAXSA-N 453.517 0.921 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840167104 XIWTVABRERUXNK-QMHKHESXSA-N 458.515 0.253 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1)c1ccc(O)cc1 1840220886 IJNNJNHWKJSBIT-HWHXTQLESA-N 486.569 0.793 30 20 JCED CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)OCC 1840280850 KDDJTBQGQVXQPZ-JOCHJYFZSA-N 454.568 0.514 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCOC[C@@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)C1 1840816469 VBICALBKOBJNIP-DNQXCXABSA-N 492.573 0.509 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1840906726 IIIOVIDMIDTNME-MNRMEQJISA-N 465.547 0.130 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CN)C1 1842871180 HGTATNRXWWBUIF-HOTGVXAUSA-N 467.567 0.590 30 20 JCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)COc3ccc(C#N)cc3)C2=O)cc1 9801197 VZKNHCLRSMIVJP-JOCHJYFZSA-N 452.423 0.987 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)CC2)cc1 18662613 WHLCPJXLNLFXKW-UHFFFAOYSA-N 476.433 0.890 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 516047885 SBBGRFYWJLHBOG-UHFFFAOYSA-N 481.534 0.922 30 20 JCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592993969 NGFLTVCQKBGATF-UHFFFAOYSA-N 456.503 0.305 30 20 JCED N#Cc1cc(NC(=O)C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OCC(F)(F)F 603721216 ZINLISNYDMFQCG-CYBMUJFWSA-N 476.433 0.247 30 20 JCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OCCCC#N)c2)c1=O 608855619 TXSJHYQYHDYEID-UHFFFAOYSA-N 452.536 0.974 30 20 JCED Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1S(=O)(=O)NCC#N 608869074 LOAAYKPEHLISOH-UHFFFAOYSA-N 463.541 0.339 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC2)C[C@@H](C)O1 725766405 LJPKHFVTQHEKDO-YVHKJVDXSA-N 490.586 0.254 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC(F)(F)F)C1=O 726404191 SSTVMGJZQQLZQQ-SXNXEAAASA-N 482.506 0.849 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2csc3ccccc23)c1=O 729671650 SYDXMDRSFOELOQ-UHFFFAOYSA-N 473.601 0.951 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCS(C)(=O)=O 729671927 XLVUGLIRWHYALD-AWEZNQCLSA-N 496.632 0.476 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCS(C)(=O)=O)c2=O)cc1 729673615 XTHVLBUAHOSBKP-UHFFFAOYSA-N 477.608 0.173 30 20 JCED C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 729790270 WBCSLZQPEGWPSL-VKWHMPGMSA-N 451.549 0.275 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(C)c1C 838894881 MUMAQUYUXNSEMO-OAHLLOKOSA-N 451.552 0.904 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2Cc2cccs2)CC1 839327848 WQSNZNHQLSZQGO-UHFFFAOYSA-N 468.608 0.420 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)ccc1F 914657419 IPWLCZQLAHDSPR-RHSMWYFYSA-N 476.548 0.775 30 20 JCED CS(=O)(=O)N1CCC(C(=O)[C@H](C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 916989681 JPLAOFDTMHRYEK-LBPRGKRZSA-N 452.445 0.685 30 20 JCED N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 1462785645 USWGGHOONSNVDS-UHFFFAOYSA-N 450.498 0.420 30 20 JCED Cn1cccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNS(C)(=O)=O 1503670124 NWRUOIPMVOJITL-UHFFFAOYSA-N 455.548 0.426 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1517621081 MOLSRLVFEWIVIL-GOEBONIOSA-N 466.589 0.875 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)NCC1CC1 1611707577 TZCFOVSLVFHLOR-INIZCTEOSA-N 486.602 0.613 30 20 JCED CN(C)C(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1617601753 UVHZJANWTGUTDA-SFHVURJKSA-N 475.575 0.597 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCCCC2)C1 1620171012 QPZRZDIJLBORRX-XLIONFOSSA-N 469.587 0.929 30 20 JCED CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N(C)C)c2ccccc2c1=O 1695910253 ZDOSASLWGGXHQV-OAHLLOKOSA-N 450.503 0.882 30 20 JCED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1712692051 JKQXTOCGQRORQS-SJLPKXTDSA-N 478.600 0.722 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1CCS(=O)(=O)CC1 1723613402 ZNSVZHGSGGXZSB-UHFFFAOYSA-N 486.602 0.834 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1727658865 MUDQKOHWKLCJKM-ICSRJNTNSA-N 481.557 0.938 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1729227791 MNJKHRYTQRMKEH-KRWDZBQOSA-N 488.574 0.224 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1729735457 OQDDNQRZNDPNCP-INIZCTEOSA-N 459.532 0.086 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCC[C@@H]1C 1741938703 LMMSVZQEJHLOAD-ROUUACIJSA-N 487.634 0.966 30 20 JCED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1763035322 LULBFSOITQYBCM-INIZCTEOSA-N 489.627 0.862 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777866403 OWUIDLYFIYRNAX-NTKDMRAZSA-N 456.543 0.894 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1778970585 CMOZMRZKQRIQPU-SBUREZEXSA-N 471.514 0.695 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCN1C(=O)c3ccccc3C1=O)CCO2 1779015292 UMWKRTBSOXTNTJ-HLHNIQGOSA-N 481.553 0.974 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1779364358 WCYLURZNZRICFF-PQWKGXQHSA-N 454.593 0.549 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCS(=O)(=O)CC4)CCO3)C2)c1 1782055481 YDQRWAZCCYKQSJ-JOCHJYFZSA-N 460.556 0.041 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccnc3C)C2)C1 1782781446 VNZOKFAGQOBTLK-WZONZLPQSA-N 459.547 0.938 30 20 JCED COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1783666325 JLDBRSXCSUQYCQ-DEOSSOPVSA-N 485.541 0.948 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)CCO2 1783899132 ZFYGFEADRPTUGR-WDUKFBBWSA-N 467.592 0.994 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)C[C@@H]32)c1 1783912820 IVFWOYWUHIAMHP-FHWLQOOXSA-N 453.499 0.022 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1784484794 CDBBGDYYRJHZAZ-YRIPFXIYSA-N 479.574 0.232 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1 1784522397 VEOIGGFJKNDJHB-VMXHOPILSA-N 499.630 0.563 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CNC4=O)[C@H]3C2)c1 1784956303 AUVLEMLZMCSSIC-FCLVOEFKSA-N 453.499 0.459 30 20 JCED Cc1cn(CC(=O)N2CC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)c(=O)nc1O 1785352980 CHHTUWYQKXZYDT-QHCPKHFHSA-N 469.473 0.341 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1785598629 UXNAXHDQCDCTQD-NLSFWIRASA-N 474.562 0.968 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785666863 IYYZFEZFGRSJKP-WMZHIEFXSA-N 498.646 0.850 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789806877 FTZZQGPJJDDGQW-UFYCRDLUSA-N 462.591 0.256 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCN(C)C4)[C@H]2C1 1790525130 PZQPCVLZKFOGHK-BVPXEZJJSA-N 459.591 0.885 30 20 JCED O=C(C#Cc1ccc(Cl)cc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c1ncn2nc(N3CCOCC3)ccc12 1795968480 GCNHPXQEEIJZNZ-HGKCTWBKSA-N 467.530 0.319 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)cc1 1797103387 HDOZMGVPAJSXDZ-XEMDLRDOSA-N 483.488 0.959 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 1797246980 MZMDVRAHVOOFRA-RGLMXTERSA-N 482.581 0.335 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1)c1ccc(O)cc1 1797808796 QQONKUHBTFHQCX-LYCICGNMSA-N 471.554 0.129 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1799233318 RYMDOOCSSKSJNT-DMUMMCEESA-N 474.562 0.565 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 1799331016 MXRPOSHEJXZTHV-GZXWBTJBSA-N 467.563 0.851 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)=O)NC(=O)OC(C)(C)C 1800515656 UGOPSZNEELTVDN-AXVVYFOYSA-N 452.552 0.572 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2 1802124421 AIAFXIPCAGMJAE-BASYENTBSA-N 459.503 0.302 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1noc(C)n1)C2 1802138486 IHVZJDGTXWAEFV-FVSFCRNKSA-N 475.546 0.980 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2)C(C)(C)S 1802181640 CILALSWZFYXDHR-HCZIRCDUSA-N 497.618 0.824 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1804194307 LHUFTLVVZKTUDM-WIOPSUGQSA-N 480.590 0.870 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1804430499 DQIVELGALGDAPB-OSVXTHCDSA-N 478.594 0.865 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2c2cccnc2)c1 1807358193 YJEREWPJKLWOMD-DNVCBOLYSA-N 457.454 0.646 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1810246424 YDOIQWAWNKNYGJ-IRFCIJBXSA-N 478.615 0.391 30 20 JCED COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)CNCP(=O)(O)O)sc3C2)c(C#N)c1 1814767606 DVUYWEXLYSEWFK-AWEZNQCLSA-N 493.482 0.903 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)COc3ccc(O)nn3)sc2C1 1824557418 HKHNGQJKUYLNAG-LBPRGKRZSA-N 459.532 0.912 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828522734 OAPQSMHKOLWNBN-RUZDIDTESA-N 499.564 0.448 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(O)O)CCN3C(=O)OCc2ccccc2)cc1 1828524542 AIVSZTXIZSZEOD-RUZDIDTESA-N 478.505 0.935 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3nc[nH]n3)C2)C1 1828579325 FIZHSGIISPMKFJ-UUOWRZLLSA-N 480.525 0.909 30 20 JCED COC[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828598463 ZXJABNIUTBNMHB-UUOWRZLLSA-N 471.510 0.809 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNC(C)=O)CCN2C(=O)OCc2ccccc2)C1 1829300873 OBCXQQNBSODNSC-CLOONOSVSA-N 484.553 0.613 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)cc1 1829635801 PTDQAOKJXNEZBH-RUZDIDTESA-N 468.554 0.960 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncccc3OC)C2)C1 1829764850 XZOCTBQPDZFPPM-QZOBCFMQSA-N 472.542 0.338 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Oc3ccccc3)C2)C1 1829768778 GVXVHMLZIYBFHE-NOZFXVHRSA-N 457.527 0.769 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)C1 1829768783 HCJXJADIVJHHFU-JMAPPONOSA-N 498.536 0.334 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)[C@H]1SC(=N)NC1=O 1829902014 GQNLZLMKZAFKRY-FCORRRHLSA-N 485.566 0.360 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1831396538 NRVJWMJENXDPHY-WZONZLPQSA-N 453.499 0.376 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(OC)c3O)C2)C1 1831398337 AERMUEBBGBFXCG-HJPURHCSSA-N 462.499 0.518 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(c4ccc(F)cn4)CC3)C2)C1 1831402438 YYCYLFHMVYOHSH-CLOONOSVSA-N 488.560 0.932 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnn1C)CCO2)NC(=O)OC(C)(C)C 1833239011 MCOAUJHCJZTJJR-UZUQRXQVSA-N 492.577 0.745 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3cc(F)cc(F)c3)[nH]n1)CCO2 1833658557 MCTBCMDDXPGZPH-QFIPXVFZSA-N 474.420 0.513 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834608286 HEWQRVNJEXOEKX-KOSHJBKYSA-N 489.525 0.626 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1834715205 IKNPDJAETNSSHI-UHFFFAOYSA-N 496.678 0.265 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834766952 HEYTVTOCMNZZCP-LOSJGSFVSA-N 486.569 0.622 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1835102262 KCIIOZIVJJTGQM-DEOSSOPVSA-N 480.477 0.265 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5nc(Br)nn5c4)C3)C2)CC1 1835342626 ZGUVCSBESZUWAO-HXUWFJFHSA-N 489.330 0.866 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2)NC(=O)OC(C)(C)C 1836354877 UUWUBFUOAQBERM-OPAMFIHVSA-N 478.550 0.734 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3Cc4ccccc4C3=O)CCO2)C1 1836593736 NHSINKMKHKZMBX-KBMIEXCESA-N 469.538 0.527 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837016048 KOFSBPQUJFPFIW-XMMPIXPASA-N 467.526 0.498 30 20 JCED CN(CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(=O)OC(C)(C)C 1837441930 JENTYLUYWICKPH-RZZUAFPKSA-N 481.594 0.781 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492352 GPCQTXVUPPVUNF-MBSDFSHPSA-N 466.531 0.703 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837650185 MDSUCOVHXLFDIJ-WZONZLPQSA-N 468.514 0.321 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1837735532 RDZDXZRGPKMMFS-GQOCTPOGSA-N 472.542 0.535 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838117220 OJKLIEGQOSXSHZ-MBSDFSHPSA-N 455.515 0.928 30 20 JCED CCNC(=S)NCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838404805 WQCYCTCLNJDOGH-HUXSYLCKSA-N 483.635 0.998 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)cc3-n3nccn3)CCO2)C1 1838629486 MFENVZJKAAEKLD-YADARESESA-N 467.526 0.684 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839082773 IJBZQEHAZMHHDQ-UFPGJGBJSA-N 465.550 0.896 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1839185719 JITFCPDCNJNAMQ-LLJLJFOGSA-N 494.589 0.438 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204027 DWQITJOMKSXTFQ-MBSDFSHPSA-N 467.563 0.522 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)[C@H](C)ON=C(C)C)CCO4)C3)(C1)C2 1839227366 DGRNWOHWECXIEY-QGFHRSQPSA-N 451.520 0.587 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)c(C#N)c1 1839722393 PUZOTMHDPSNMFL-HSZRJFAPSA-N 453.499 0.532 30 20 JCED CC(C)(C)OC(=O)N(CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C1CCCC1 1840041804 IWOGJZHGTKBBOI-XMMPIXPASA-N 493.557 0.711 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840149758 ZIISTYGJMXIYNR-RHGYRFJNSA-N 493.557 0.614 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1)c1ccc(O)cc1 1840221834 MUPWWOCNEDTONX-CLOONOSVSA-N 496.568 0.679 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2cccc(F)c2)NC(C)=O)C1 1847008438 PYHWXKLUGHTOJE-GWQNQTGSSA-N 456.518 0.935 30 20 JCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 16132944 QYNGLALQBMJGMY-LBPRGKRZSA-N 472.523 0.964 30 20 JCED CN(CC(=O)N1CSC[C@@H]1C(=O)N1CCSCC1)S(=O)(=O)c1ccc(C#N)cc1 484363532 PXDHJGMYFIZSDR-MRXNPFEDSA-N 454.599 0.656 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 502448701 YDQHNXVMLXMSHH-UHFFFAOYSA-N 469.567 0.953 30 20 JCED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2)c1=O 524281080 FMXGBGCTOMRJRU-UHFFFAOYSA-N 497.665 0.449 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC(F)F)cc2)c1=O 551257009 PBCCZTHYYNADJN-UHFFFAOYSA-N 490.532 0.649 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(=O)N(C)C 604269136 VDEWLRMLXBCCCG-UHFFFAOYSA-N 494.520 0.255 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(=O)N(C)C 604270253 JQWMPHDLJBRQHD-UHFFFAOYSA-N 454.552 0.208 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 609220042 XSPNYGAENXPYOV-UHFFFAOYSA-N 468.579 0.112 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccncc3)c2=O)c1 726580123 VJPAQELVMLHFTO-UHFFFAOYSA-N 485.569 0.227 30 20 JCED C=C(Br)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 731361237 AVAGENKLZCORMB-UHFFFAOYSA-N 459.322 0.942 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nnc3n(C)c(=O)c4ccccc4n23)cc1 811833152 ONKSUUWCZBVYFR-UHFFFAOYSA-N 451.464 0.850 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(Br)cc2)c1=O 838163273 OPBWZFVYASXYGC-ZDUSSCGKSA-N 480.384 0.973 30 20 JCED CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 857157305 IKSWXPGGFJUXHZ-UHFFFAOYSA-N 471.539 0.770 30 20 JCED CCN1CCN(CC(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C(=O)C1=O 916952418 FCOIZQSTWDPPRB-GOSISDBHSA-N 489.554 0.199 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1CN1CCCC1=O 918872791 RSNNYDGNEVFGIP-UHFFFAOYSA-N 484.534 0.707 30 20 JCED C[C@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCCCC1 918985853 AZLGNFXITOLRCB-HNNXBMFYSA-N 450.517 0.553 30 20 JCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)c1OC 919227644 VEOKQIBMGQIPFQ-NRFANRHFSA-N 481.527 0.690 30 20 JCED CC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1291378032 ZNUKGFHLZHPSDX-KSFYIVLOSA-N 453.551 0.938 30 20 JCED CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C 1296168571 XTKCNWKKLNTIBE-VGSWGCGISA-N 474.587 0.809 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CCO1 1299137564 JGMMKYMWGZMZQK-HXUWFJFHSA-N 453.547 0.615 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1510188012 LTPPDOMAGCHLOK-CQSZACIVSA-N 458.610 0.843 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 1519153360 XDWZVONBDSRFSE-JOCHJYFZSA-N 494.600 0.918 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1611308524 RAKFSPVONZYMFZ-DOTOQJQBSA-N 462.580 0.859 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(=O)N2CCCC2)n1CCC(=O)N(C)C 1693752019 YKMJSFBZMBSLJI-INIZCTEOSA-N 466.550 0.369 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1705755166 NHEVXSQHGLNSRF-KBPBESRZSA-N 470.017 0.623 30 20 JCED Cc1nccn1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1751809193 ZIHPNOVWZFGAII-NVXWUHKLSA-N 450.569 0.802 30 20 JCED O=C1NCc2cc(C(=O)N3CC[C@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)ccc21 1778723318 QWEQAPHSGROTKV-SJAQWOJPSA-N 456.499 0.903 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO3)c1 1780176000 VPKXUFLYPZTTKZ-NFBKMPQASA-N 473.482 0.505 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1780337788 ITEGEFBSTQPMHW-GOTSBHOMSA-N 473.530 0.702 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C2CCN(S(C)(=O)=O)CC2)CCO3)c1 1782060333 PLLNDPQDLBLGKA-HSZRJFAPSA-N 474.583 0.982 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786841 HSWVPGKGNSSOOU-WCNTUGILSA-N 477.474 0.115 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783932702 AGWTWLFNFWLOJC-GMWOSMDTSA-N 481.546 0.349 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@H](C)NC(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784087895 CPZXBQKMDDZYTD-CEXJFXJFSA-N 464.563 0.907 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1784785758 PRIFAXXZURHMJO-XSLAGTTESA-N 462.551 0.727 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1)c1ccc(O)cc1 1785354455 LECGGBZZFRCTRS-FNZWTVRRSA-N 494.548 0.990 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)c(=O)[nH]c1C 1785376306 QVTZIIZENIHMPY-HSZRJFAPSA-N 451.483 0.781 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785518054 YEMAXJKECQURSE-QZMQVMSPSA-N 483.562 0.864 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)ccc1Br 1785630385 DTCKESTYYDRHFT-SFHVURJKSA-N 450.293 0.433 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCN(C)CC4)C[C@@H]32)c(O)n1 1785773417 DWJFFLANLXDULN-NYVOZVTQSA-N 471.602 0.747 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(C)(=O)=O)C[C@@H]32)c(O)n1 1785774297 ZMYQKPHZCRPZKU-WBAXXEDZSA-N 451.545 0.544 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786367831 CYTZVTHKSDNLJK-XSLAGTTESA-N 493.609 0.426 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857662 XGTNYKXWTCNYMM-XSLAGTTESA-N 481.594 0.134 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)n1 1786859170 RZYCAXRKFODBKZ-FHWLQOOXSA-N 472.590 0.548 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1)C(F)(F)F 1789708274 RSLZIJSRJARHCD-QEJZJMRPSA-N 472.489 0.990 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1789839228 HQCNTYHPNLKPOZ-OKYOBFRVSA-N 489.577 0.350 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(cnn3C)c1OCC)C2 1792488781 TXWLPQMBXXTBCV-IBRLJDPESA-N 482.541 0.429 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)C2 1793345359 MOOZIHBPIOBBPD-GVJYWCCQSA-N 477.558 0.393 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C2 1793592713 PVKFCJJKHISSFG-LVEJAMMSSA-N 466.579 0.960 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795968663 HEKSLALZISMUAU-DCXXXQMHSA-N 499.572 0.570 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1797744141 QTMWFKYFZMCMNE-NPDDFVLNSA-N 483.613 0.683 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1)NC(=O)OC(C)(C)C 1799144493 YHEITKLECLFDFO-VBXOEGAOSA-N 466.579 0.158 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1799304361 HUKFBVNQPZLEOY-SFNKJDCFSA-N 483.562 0.361 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1799395954 LMZRMTSDGIEASZ-KCYAQADSSA-N 483.566 0.146 30 20 JCED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC#C[Si](C)(C)C)C2)C(=O)C(=O)O 1800260633 IRZYEKYRCVCONC-HGKCTWBKSA-N 451.596 0.170 30 20 JCED CC(C)(C)OC(=O)NC1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1 1800778660 MQUCBOOOYFWDFC-KHIYODNFSA-N 463.531 0.748 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)cc2C1 1801990163 OEONDTNUQYETKK-MUJYYYPQSA-N 471.514 0.974 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)n(C)n1)C2 1802125742 QHTCXMRGCVBHTG-YYAJDYIMSA-N 475.546 0.549 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803913488 OSOVSRWXDWKHJX-KACWQLICSA-N 465.510 0.261 30 20 JCED NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1807048089 OFKJFVNGJGLIMS-IWHDLDCDSA-N 460.535 0.209 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808356265 XFKAWDLWTYJLSG-UWVAXJGDSA-N 474.514 0.715 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810152765 HGKZNEWMIZCSRW-UZLBHIALSA-N 455.519 0.930 30 20 JCED Cc1cn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)NCCC#N)n[nH]2)c(=O)nc1O 1817319285 AEWXDXHIZRWKPL-INIZCTEOSA-N 470.534 0.955 30 20 JCED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1819467712 BEFUVIYHTDQFKC-OWZOOLPCSA-N 452.537 0.591 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)n(C)c1=O 1823376807 WLZGNMZDIHEZRG-OAHLLOKOSA-N 493.528 0.543 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1823386180 KZKVTPKLJDPRCN-MRXNPFEDSA-N 488.468 0.792 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)NC(=O)OCC)CC1 1828759174 GMXTUSPLLXFZBX-WSMAHZFNSA-N 450.536 0.529 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829049586 HADGKYFPXJLCAF-VAXXYWNWSA-N 488.589 0.525 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1829267389 WMITYUQHSQLNOQ-RUZDIDTESA-N 493.520 0.798 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1830050753 PYDKDPOJHFABJW-RUZDIDTESA-N 482.537 0.608 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1830425145 BHLWIJOXHOOQMM-DEOSSOPVSA-N 470.526 0.527 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1831396703 PXEPLHCGAVJFFK-UZUQRXQVSA-N 453.499 0.580 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1831426328 KMFYLYPKVUDYSM-FDDCHVKYSA-N 462.547 0.334 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831598072 PCIOLSMMEOELIA-SAHWJRBASA-N 482.578 0.424 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2)c1cccs1 1831733759 TXTHPLZBBOHCGB-SHTLVRLNSA-N 458.496 0.753 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832540414 BCDFYDYRPXRMDD-NIYFSFCBSA-N 497.548 0.558 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1 1833468703 VQGWWKZBQCWJLW-XMMPIXPASA-N 466.494 0.660 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1835674750 LOMSFQXWSYRUHB-OFVILXPXSA-N 469.586 0.439 30 20 JCED Cc1nc2ccccn2c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677428 QYWLFJGQLHSSIJ-XMMPIXPASA-N 468.558 0.995 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1835682429 ICBVKWZXXZGIKF-RUZDIDTESA-N 484.601 0.122 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835844725 PFRIXVCBMSYMOJ-NLUQEXNMSA-N 481.594 0.238 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1836081361 KAZJBTJIKDFTJM-HXUWFJFHSA-N 452.533 0.355 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1836474045 QTAYWLBZHQTPKJ-IFXJQAMLSA-N 481.468 0.447 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)cc1 1836780598 LFUKNCCDGFJPET-DEOSSOPVSA-N 478.509 0.272 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccc(OC)cc3)C2)C1 1837392045 YSIUZSCVHDZYBK-DCLXLUIPSA-N 462.543 0.758 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837443884 MIIGNKQGXKDFLW-NWBNNPRYSA-N 455.519 0.271 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1837526757 VNZSSXKRZDCDEK-HYBPMGLISA-N 468.457 0.959 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837529504 USQFDCLLWAJQHW-RTJSORLSSA-N 486.569 0.686 30 20 JCED N#CCC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1837636464 YPJWXTFWDLKKCV-ZWKOTPCHSA-N 477.587 0.079 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837647276 JJMCDONVQKEHCK-OPAMFIHVSA-N 456.478 0.695 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837701546 QQWFMXVZAOYYQC-NPMXOYFQSA-N 466.498 0.195 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837755706 AJBAYAIUPAFBHG-DYESRHJHSA-N 452.577 0.949 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)CCO2)C1 1838503565 DUGQFUFHOSHZCF-JXQFQVJHSA-N 479.574 0.738 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1838584769 FXDZGTYLMVXQDE-KNQAVFIVSA-N 477.539 0.214 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838795910 SWTDPKUZCYGBGF-XMMPIXPASA-N 483.525 0.847 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908789 STVQZQZMFSJGHA-XMMPIXPASA-N 475.542 0.698 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)NCC(C)C)C3)C2)c(C#N)c1 1839132924 UEGUYICZRWGRHG-DEOSSOPVSA-N 472.542 0.338 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1839174170 JYNVZNLAOGHPQX-JOCHJYFZSA-N 464.519 0.701 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1839174607 LZXGTYKWBGLCBZ-HXUWFJFHSA-N 452.533 0.355 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)ccc1F 1839186828 QGFFGCVWRZSDMX-QHCPKHFHSA-N 453.474 0.729 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)ccc1F 1839187388 ZMUVTLNXRHNYDB-XMMPIXPASA-N 494.483 0.758 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1840076625 WYLZQLGEZNFHDA-CTNGQTDRSA-N 462.609 0.467 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840176101 VVMFLCYRTUHBIG-KSFYIVLOSA-N 469.535 0.475 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840323113 RRIZUEWPPKYGQI-ZGNKEGEESA-N 496.561 0.268 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820757 INMKVXAZFMOBQY-DEOSSOPVSA-N 466.494 0.615 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1840853084 DAILVICIIVMBJO-XUZZJYLKSA-N 472.542 0.942 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1840909292 PNNUMPYOCNNWTR-UZUQRXQVSA-N 493.557 0.313 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1840909303 QAZSPNOCDTYQHA-MBSDFSHPSA-N 475.546 0.325 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842058832 HIIFFSSIQBRTNL-DYMJZEJZSA-N 459.503 0.725 30 20 JCED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1)NC(=O)OC(C)(C)C 1842948388 MWJIIWMVZSKDHZ-JKSUJKDBSA-N 451.568 0.642 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cnncc2C(=O)O)C1 1844460434 KNRGQKLYADOKCP-MRXNPFEDSA-N 457.487 0.908 30 20 JCED C[C@@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845875246 GFSRFFOIWNTYQJ-XMMPIXPASA-N 462.506 0.691 30 20 JCED COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OC 15527496 LVGBRXXUXMWYIL-UHFFFAOYSA-N 472.523 0.838 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c1=O 25521913 ZGDCHWZBRXWHPT-UHFFFAOYSA-N 481.431 0.660 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(Cl)c2)c1=O 514644751 BYGVVASRECEPRP-UHFFFAOYSA-N 460.987 0.925 30 20 JCED Cc1ccc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1S(=O)(=O)NCC#N 609413441 SLIQWGLTMXQGEG-UHFFFAOYSA-N 471.543 0.056 30 20 JCED CCN(CC)C(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403673 LXVWBCFUPVHKLR-IJCFDHGGSA-N 495.627 0.671 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)n(C)c1=O 754802852 ADVDTGCEINHGEY-UHFFFAOYSA-N 458.862 0.577 30 20 JCED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCNc1ncccc1C#N 915785038 BRRHPTMSTCMDTQ-UHFFFAOYSA-N 459.532 0.436 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1301885561 JRJQBSVVTOPTES-UHFFFAOYSA-N 474.587 0.525 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1503462424 QRTHAYDOCLNBTF-RBUKOAKNSA-N 476.559 0.534 30 20 JCED C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1512368870 XCGIHJVTLYNTEY-TVFCKZIOSA-N 466.608 0.797 30 20 JCED COCCN(C)CCN1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)CC1=O 1570029032 NPBVPMNNYFVZLC-AWEZNQCLSA-N 453.337 0.995 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2nccs2)C1 1698313043 RPQPHLQYSRADSY-DYVFJYSZSA-N 455.541 0.752 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705688054 MYBQSDHVODVWCP-ZDUSSCGKSA-N 482.426 0.561 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1710329150 SDJGFJQIVMHRKT-QHCPKHFHSA-N 452.563 0.141 30 20 JCED Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1C 1724439444 YMXJSMCCCFEGGM-GHTZIAJQSA-N 461.544 0.752 30 20 JCED COC(=O)N1CCC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CC1 1729788576 VHOMZPVNKORSCA-NVXWUHKLSA-N 483.595 0.828 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1 1751199424 JQMPQJSRXVJBLW-JKSUJKDBSA-N 462.580 0.907 30 20 JCED CC(C)(C)[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1760808583 XYWQNXPELJBURQ-BXTBWTEWSA-N 476.600 0.600 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1767838293 JNEWYNYAOSEMER-GOSISDBHSA-N 468.562 0.911 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1771112599 TXCWIRWOQGEKIF-AZUAARDMSA-N 490.586 0.981 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1779000292 SNFQVYTZXHNGRR-RXVVDRJESA-N 453.612 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1781832954 AJXHUVSRVUGUSU-XBKFQHLESA-N 450.499 0.569 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1782015677 YGOLBKCOGDSFNR-QVKFZJNVSA-N 458.496 0.341 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]n1)C2 1783268045 BKIMBIHSNGIXMM-WJONJSRFSA-N 460.535 0.849 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NC=O)C2 1783268905 ICQHFMLNWCOXIQ-OIMFZILRSA-N 464.563 0.551 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)C[C@@H]21 1784486734 MCMGOEPMSOPHAF-HVTWWXFQSA-N 461.559 0.921 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1785426193 MQCBXJGYZWERSF-HSZRJFAPSA-N 472.546 0.886 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786705207 MYVBTNUTKYKMCB-VGWMRTNUSA-N 451.524 0.039 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]4C3)cnc2s1 1786858067 BNFNYWXKAIBMMK-SZMVWBNQSA-N 486.598 0.940 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(=O)(=O)N4CCCC4)[C@H]3C2)cc1 1787506113 HTUZVONRJQRKBE-UFYCRDLUSA-N 460.556 0.577 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)[C@H]2C1 1789913462 FLAWRLOVVIZJMM-XTHUUODCSA-N 479.574 0.688 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791077927 MWRIZYMHKCUQPL-OWSLCNJRSA-N 463.531 0.701 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791078157 VPENTYIDPPMFNN-CFLDLGCGSA-N 481.521 0.793 30 20 JCED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc([N+](=O)[O-])c1OC 1791078321 VPDXEEDABLDIMS-JDFRZJQESA-N 461.427 0.293 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3ccnn3)[C@H]2C1 1791650616 VQHGUVRPEGWDLI-OKYOBFRVSA-N 474.562 0.565 30 20 JCED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1793049108 UUUOQEHDTRYNGK-BCDXTJNWSA-N 468.558 0.840 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)C2 1793347584 GJJNQONJEUTZPY-GXQGPDAOSA-N 491.585 0.373 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)n(C)n1 1798760542 QAUUXJLROAHPKH-RCJHGTSTSA-N 475.546 0.549 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1799196764 JILZHIVZIYDRKE-RHQZKXFESA-N 493.605 0.086 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C)C2 1799233403 YEVHJYGMARWFDT-AJYBTWMASA-N 450.580 0.834 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1799365399 ZAPNGPQBDXKFJR-MCNOKKAJSA-N 498.577 0.381 30 20 JCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)cc1 1800281185 VKCGKKLQSJFVCY-BBIADKPPSA-N 479.493 0.851 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O 1801330665 VHRBBABLAOOGHP-MHORFTMASA-N 492.573 0.864 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc(C)c(O)nc2=O)c1 1801970713 ZWCHHUKUIHZWHW-XEMDLRDOSA-N 467.482 0.041 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@H]1c1cccnc1)C(C)(C)S 1802924420 HOZWSRGCDKDOMP-BZUAXINKSA-N 482.603 1.000 30 20 JCED C=C(C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1)C(F)(F)F 1804197572 HUDFTGUKIKNXBW-AEFFLSMTSA-N 474.505 0.936 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)C1 1804853745 OCHQBNPNKKJRSY-PLNGDYQASA-N 475.571 0.541 30 20 JCED O=C(O)C#CC(=O)N1CCC2(CCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)CC1 1805616501 JXFIQAXYWDLYIG-UHFFFAOYSA-N 465.506 0.921 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1810356224 AHMILBKTMLUESN-HUNPHYIJSA-N 468.514 0.873 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)[C@H]3c3cccnc3)c2c1 1812071558 PKIOXTOYULIWMZ-FPSLLJFYSA-N 459.510 0.872 30 20 JCED C#CC(=O)NC[C@@H]1CCN(C(=O)c2ncn3nc(N4CCOCC4)ccc23)[C@@H]1c1cccnc1 1812527084 XFWCESRJZHEYTB-FDDCHVKYSA-N 459.510 0.914 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330361 RTEZCMORYQXHDY-HZMBPMFUSA-N 457.516 0.673 30 20 JCED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1815799658 KJLHMKZKZJECOQ-INIZCTEOSA-N 480.529 0.653 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C#N)CC3)[nH]n2)n(C)c1=O 1815799713 MJHMJBRDFVHRES-CQSZACIVSA-N 479.501 0.153 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828522868 LAJDHFSDCPRTGJ-XMMPIXPASA-N 487.557 0.031 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)CC2=O)c1 1829637867 RMRADBUKGVTDSO-FNZWTVRRSA-N 481.549 0.918 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1829765047 FLWQXJWFWLWFON-WEHRJKGCSA-N 480.525 0.196 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1829770499 UPIXWPFGTOJMPD-WEHRJKGCSA-N 465.510 0.558 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1 1830456835 SWIRBAQTTLWHQX-QHCPKHFHSA-N 456.499 0.399 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1830569293 SUNQTVFQYRRWQI-IIBYNOLFSA-N 473.592 0.248 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)C2)C1 1831402465 HWHZABZRMDVNEO-ZBSGDCQRSA-N 491.585 0.879 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1831494389 XOAPAZPZTYFUQQ-WIYYLYMNSA-N 461.544 0.114 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3C)CCO2)C1 1831879954 BBBOBDYWKDSQDQ-YADARESESA-N 489.573 0.715 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1831999755 BVIFYXWEFRBQCC-VGSWGCGISA-N 463.535 0.949 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)cc1 1832246684 KMJNGURNEQRZAT-LJQANCHMSA-N 487.406 0.912 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)c1 1832877912 NJRMQQKDZVMKHR-DEOSSOPVSA-N 465.510 0.776 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833020773 FJFWMDIDZWBNJO-IERDGZPVSA-N 452.577 0.809 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1833075129 QCDOUHZKNRISOX-XDXAGZTOSA-N 497.600 0.025 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)c(=O)[nH]c1C 1833385527 MWIKCGJMQPRSRF-DEOSSOPVSA-N 450.495 0.508 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1N(C)C)CCO2 1833665479 SYAOPVUROGUBJJ-HSZRJFAPSA-N 460.531 0.727 30 20 JCED Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1F 1833703259 CMHQMSOBZLAESV-OAQYLSRUSA-N 450.515 0.220 30 20 JCED Cn1nc(C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)cc1O 1833945294 XSBVJQGDNPDTHV-CPOKCXMASA-N 462.551 0.840 30 20 JCED N=C(N)SCC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834654033 ILWSOTVTRDTHNW-QMFLXTPQSA-N 454.597 0.714 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835513851 LGPSWEVWFRQNNU-AOMKIAJQSA-N 499.634 0.929 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c(Cl)c1 1835542637 XPZMTBYXHAWIKP-IBGZPJMESA-N 486.849 0.006 30 20 JCED Cc1nn2cc(CC(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)nc2s1 1835675384 PNXYYAAWCHVELE-QFIPXVFZSA-N 489.602 0.380 30 20 JCED CCS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750842 UOQUPMZGHGORMD-UHFFFAOYSA-N 467.632 0.691 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@@H](NC)C(=O)O)CCO3)C2)c(O)n1 1835755465 ZKJPJITUURBYPB-WZONZLPQSA-N 476.530 0.039 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC)NC)CCO2 1835903844 FVHYRZSLCKWGBV-STSQHVNTSA-N 468.595 0.910 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)cc(C(F)(F)F)c1 1836148936 INYDJOWUZNTZQO-LJQANCHMSA-N 479.419 0.334 30 20 JCED COC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1836520787 RPNHRENMCZUPLR-SGSXCFNPSA-N 451.501 0.299 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836970703 HCKNKXLIYXRZQN-HPARJBSBSA-N 457.487 0.448 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c(O)n1 1837271010 MGMDCIPHSLPTSJ-QHCPKHFHSA-N 485.545 0.309 30 20 JCED Cc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1F 1837441091 QYHMRSWLAPWXJO-OVRHDEQLSA-N 450.515 0.409 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1837493428 FCVYLEJFVORSKV-DFBJGRDBSA-N 470.570 0.670 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c(O)c1 1837531782 WRLRVEHFHQUWJI-VHZQKOCRSA-N 477.514 1.000 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565763 ZYFYAOKQQGMYTI-OAOKJSIISA-N 451.476 0.717 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)c(C#N)c1 1838109118 BLLFWXWCPZKEEU-JOCHJYFZSA-N 456.455 0.573 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=Cc4ccccc4NC(=O)C3)CCO2)C1 1838443295 HTCIMGQVQVDLML-IQGLISFBSA-N 467.522 0.907 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OCCCO)cc3)CCO2)C1 1838545500 GGQVYTMFVUJUJX-YADARESESA-N 460.527 0.556 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838739423 RTTLPLWSYVSVKO-UZUQRXQVSA-N 491.545 0.232 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C[C@@]45C(=O)Nc4ccccc45)C3)C2)c1 1838741979 KIRXGWFXZRNPGN-MUEKUWCCSA-N 475.505 0.866 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)c1 1838905444 GHQFCNLBSHIIGP-DEOSSOPVSA-N 463.494 0.453 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c(OC)c1)CCO2 1838972673 OZDAASVBOMHHBW-KSEXMQBYSA-N 459.499 0.329 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1839108271 DZZCEFSANDALBF-IMWIBFENSA-N 477.558 0.084 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1839173901 TUIDLIQKPGVOGL-QFIPXVFZSA-N 492.485 0.578 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1839174301 RIGJIJOKHCAHPR-QHCPKHFHSA-N 461.515 0.599 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1839203217 DDOVUDOASCOMLC-PNCHPQGNSA-N 485.578 0.310 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210509 SGSOKWHBMIKZBD-IXFSTUDKSA-N 469.579 0.931 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363236 PNLARNFTXCZTST-GAJHUEQPSA-N 457.531 0.530 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnc6ncccn56)C4)C3)c2c1 1839488579 ZQJVWNWVDNCUQQ-XMMPIXPASA-N 486.492 0.861 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCCCC4)cc3)C2)C1 1840043731 QPHIFZMOOPCHMR-XMMPIXPASA-N 455.511 0.835 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840063435 BSYNEAWGXUWBDW-YADARESESA-N 488.541 0.774 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC)C2)C1 1840108219 FUBIGCAYONYHOM-JKSBSHDWSA-N 455.552 0.947 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2cncn2)CCO3)c(C#N)c1 1840420262 FVPYDWALHWFJLB-UZUQRXQVSA-N 468.514 0.418 30 20 JCED NC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cc1 1840648054 UAXBCZCOHXFNDL-HQQBKKBHSA-N 454.483 0.568 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c1 1840716411 JGWYVCPWEWLOCI-VEYWIMSWSA-N 473.526 0.999 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)c3ccccc3)CCO2)C1 1840900552 NWEMGGKHJMMJIC-IECBHUPTSA-N 459.543 0.852 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1840908729 OYMAXQJIOHQTEM-BSRJHKFKSA-N 490.561 0.212 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1 1846141418 UBBHMVKMNUIJPM-XCLUONLBSA-N 488.585 0.930 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cc(OC)ccc1OC 522534954 JLUHQAJZIMDRLT-UHFFFAOYSA-N 466.519 0.577 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 522897781 MUYQNQQRJGYCCL-UHFFFAOYSA-N 454.552 0.934 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O 589157641 JAHNKHWCNNCVIF-LLVKDONJSA-N 461.927 0.938 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 592993740 YDVDGWVQTAGFMT-ZDUSSCGKSA-N 468.514 0.619 30 20 JCED COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc1C 608910756 IIBIFSLWWVKAHB-UHFFFAOYSA-N 483.546 0.436 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2-c2cnn(CC)c2)CC1 726180456 LMHLQWSVIIEYSX-UHFFFAOYSA-N 494.625 0.133 30 20 JCED Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1C 727007855 MFFSYGQHZCSKOY-UHFFFAOYSA-N 457.472 0.246 30 20 JCED CC(=O)N1CCN(C(=O)[C@@H](OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 876676377 XNXBLBMFZURBSG-IBGZPJMESA-N 464.544 0.374 30 20 JCED COc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1S(=O)(=O)N1CCOCC1 915785070 FXBGKVLHVUYSSU-UHFFFAOYSA-N 488.526 0.150 30 20 JCED C#CCCN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)CC1 920766665 CWRZWTICJDZNHR-UHFFFAOYSA-N 473.599 0.694 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1286863809 VSRLRDHKTPOILK-SQGPQFPESA-N 483.570 0.311 30 20 JCED CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1 1297638950 LLUOQMSBGAGWNA-UHFFFAOYSA-N 466.589 0.769 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 1359084558 LHZSDASRVLGINZ-CQSZACIVSA-N 491.412 0.611 30 20 JCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1503368167 UNFWFSWJNLCEJX-SFHVURJKSA-N 489.602 0.973 30 20 JCED C[C@](O)(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1510236615 TZRXODOHVLOGRU-JQVVWYNYSA-N 490.586 0.638 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCN1CCOCC1 1589295754 KADNCBMPOPPVNT-CYBMUJFWSA-N 451.391 0.565 30 20 JCED CN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 1610999744 LIQRKGOFGCMYGP-INIZCTEOSA-N 451.549 0.504 30 20 JCED CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1615889260 ZZHWOKOMLBBKKZ-QGZVFWFLSA-N 452.629 0.656 30 20 JCED CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1617405866 HXEAAYJCHNKPOU-IBADJEFMSA-N 459.580 0.562 30 20 JCED CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1696594878 WCHUKIUXXJMGMU-PKOBYXMFSA-N 488.570 0.424 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1706048997 OQMVLKAQJCMEGE-ICSRJNTNSA-N 472.571 0.983 30 20 JCED CC(C)CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1706444667 LJIIOCDOAMHJLN-QKLQHJQFSA-N 470.596 0.527 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCOC1 1706886051 JWCOLCUJDLNRLA-NVXWUHKLSA-N 460.564 0.518 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1729373628 QIDFKFGLKYTGOI-QGZVFWFLSA-N 458.544 0.546 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCS(C)(=O)=O 1729396781 LHKGXPMUIWOMFS-GOSISDBHSA-N 496.615 0.554 30 20 JCED N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1731184050 ZDPYSUPBQYJDGP-RBUKOAKNSA-N 453.471 0.988 30 20 JCED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1748266729 IGAWIXIXPQMFHN-QGZVFWFLSA-N 475.575 0.725 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1765507493 YSVWUBMPYPJVKV-DBXWQHBBSA-N 498.629 0.079 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(NC(C)=O)cc3)C2)C1 1778249345 DKWLNXILWQEXRV-XXXZYALBSA-N 454.527 0.876 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2CCOC2=O)C1 1778784464 PRJPBXZQRSLRRK-VGOFRKELSA-N 451.520 0.852 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)ON=C(C)C)C2 1779405027 PSALVCAXZKFPTO-CIVUBGFFSA-N 469.535 0.796 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779423235 JMADQBWZOFCYNX-ROGHMJRLSA-N 462.551 0.957 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779553333 DXIKBPULNCVASZ-DSNBWPPZSA-N 468.551 0.180 30 20 JCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)N1CCN(C)CC1 1780638950 SXLAKOOEFXMERI-ZWIQIFFQSA-N 479.622 0.665 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1780803750 LBPSBSKELFRELH-MOKWFATOSA-N 474.562 0.910 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781111262 JUOYEKWDXYDYSY-ZHSNQQFMSA-N 465.547 0.082 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1781270209 CBTMPKYLKNYNQR-QHCPKHFHSA-N 460.531 0.626 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1781294404 FIZMXFHURQTOOS-DDOIHHOZSA-N 466.579 0.399 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781424262 JGSVEFHQRLAECM-JTSKRJEESA-N 462.551 0.968 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)c1 1781961671 LNHOBEZVNPNWOO-NRFANRHFSA-N 473.486 0.606 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782015665 KACXLAWBDBIZFH-SEPYTNNBSA-N 479.530 0.224 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1783980955 KUFMGMGLNVHBRW-IBGZPJMESA-N 454.405 0.689 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783995360 PKQSSFLBCJJJPW-ICUGJSFKSA-N 470.567 0.653 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2)c1ccc(O)cc1 1784012958 PSMBBZKIRUFNHN-BVZFJXPGSA-N 477.521 0.922 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)c1ccc(O)cc1 1784014680 QNJUMGBUMPCYRQ-MHECFPHRSA-N 471.510 0.262 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1784802438 QDDSLTJPNYYDMI-IHPCNDPISA-N 469.925 0.986 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1785596646 PMUMUBIENDWYTC-OYYQPBACSA-N 462.547 0.422 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)O[C@H]2C1 1786369524 VYMZGBILOGCBRE-WXJALIKYSA-N 462.547 0.904 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786694593 SRSSSGWINWDSRX-ATIWLJMLSA-N 462.547 0.640 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1 1787427813 XVZDGAZDULCDNM-FCMAGTKHSA-N 473.574 0.123 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676469 AMKPWIPGDFIWJP-MXZXMXBTSA-N 492.573 0.954 30 20 JCED Cn1c(=O)c2c(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C5(C#N)CCC5)C[C@@H]43)csc2n(C)c1=O 1789702724 FHXNBGJAYNWTJF-XIRDDKMYSA-N 499.593 0.515 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)[C@H]1CC[C@@H]2CCC(=O)N2C1 1789769719 QCCNENVURTYIGV-JPNHEKRQSA-N 459.591 0.839 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nnc(Br)n4c3)C[C@@H]21 1791076171 WIVLETZPTLFCQH-IHRRRGAJSA-N 476.287 0.173 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1)[C@H]1SC(=N)NC1=O 1792832436 MLTQQHKQIJKWRJ-GYGOWQKVSA-N 469.567 0.883 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1793312318 QADXYWXKBWNOQV-PQVZQDFCSA-N 469.585 0.404 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C)c1=O 1793550556 BOFSABZALAULDR-NBMJBFSESA-N 472.542 0.505 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)c(C(F)(F)F)n1 1794089553 FJHVWCKXORYZND-MUJYYYPQSA-N 499.515 0.954 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1794405204 GVLBKXBGXBJWEA-BBIADKPPSA-N 467.547 0.881 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795421045 MPERZXQQYODKJB-DFGXFYAUSA-N 486.591 0.208 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)cn1 1796076813 PXGBJYKEOWPNGF-SPHVFERGSA-N 474.539 0.542 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)[C@@H](O)C1 1797309541 DNBAVBVGZNIKKL-BIWGCHKCSA-N 450.536 0.498 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccccc1=O 1797938594 OSPDGGCDMOUHPM-GQUPQBGVSA-N 486.569 0.916 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1ccc(-n2c(O)nnc2O)cc1 1798599060 XDRWRUSDTSIUHA-DDZPXRNESA-N 480.481 0.594 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2)C(F)(F)F 1799074545 FNBRUUOLYFHHGN-AGGWBTHJSA-N 458.462 0.600 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)c(C#N)c1 1799241367 TXPKTEWJVSRGOL-VPTLXERWSA-N 488.591 0.559 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccnc2C(N)=O)C3)ccc1F 1799324773 XLYBFKHZPNIGTQ-CWPLJXCYSA-N 451.458 0.637 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(C)=O)N(C(=O)OC(C)(C)C)C1 1800513983 YMLRGKKDPKHKIA-ZMMAXQRCSA-N 450.536 0.278 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1800996089 HNVRTLDYTHPKGF-AJYBTWMASA-N 499.630 0.708 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO)NC(=O)OC(C)(C)C 1801736377 UGBRVCJMKWSVLL-YSTOQKLRSA-N 482.622 0.771 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cn1)C2 1802126855 OMXQGPSSANLBMK-NNNWTRQLSA-N 472.542 0.836 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2 1802138636 OCJGGAPCAUWJEA-LOAAXEFPSA-N 473.530 0.855 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnsn1)CCN2C(=O)OCc1ccccc1 1828649664 QDSLLMWUPYJLBS-QFIPXVFZSA-N 483.506 0.692 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCN2C(=O)OCc2ccccc2)C1 1828981419 DZLLVALKCZHCMJ-RUZDIDTESA-N 495.584 0.828 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=O)N(C)C)C2)C1 1829261706 VXZQZYCZZKRLQS-HSZRJFAPSA-N 455.515 0.343 30 20 JCED CCC1(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)COC1 1829334250 FVDLLLBJRGJUMB-RUZDIDTESA-N 483.521 0.953 30 20 JCED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)c(=O)[nH]c1C 1829629960 KPEZMBFTXZEQBI-VWLOTQADSA-N 479.537 0.961 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1829770541 XJZHMVBAARIXNR-UZQCKINESA-N 453.499 0.263 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830300831 RNBYBCHQMNQHAN-OYHNWAKOSA-N 461.519 0.870 30 20 JCED Cc1cc(CCCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c([N+](=O)[O-])cc1F 1831112962 DKTCPUDPAGRIGO-HSZRJFAPSA-N 491.472 0.909 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)c3C(F)(F)F)C2)C1 1831392776 OOGJQBZHJNHRPL-LIRRHRJNSA-N 458.437 0.547 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831447132 SHUMLOXTZPZQEZ-QFIPXVFZSA-N 479.530 0.602 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1831484964 JVWBBSURZWFFIQ-NQIIRXRSSA-N 485.628 0.651 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO3)c1 1832160140 ADQOPFNUQRNSQU-VQTJNVASSA-N 471.432 0.950 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1832446604 CNMATUWONBYRRV-VGSWGCGISA-N 487.619 0.638 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1833434280 VMSDATMSNGCYMK-IVWHYVCYSA-N 477.518 0.474 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1833563766 AHWLBNUUSXONIC-QHCPKHFHSA-N 495.598 0.679 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cncnc2)CCO3)c(C#N)c1 1834307017 SAXBEGQZDUTKDU-QHCPKHFHSA-N 451.483 0.670 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)[C@@H](F)C1 1834756449 ZWMQAXOKIOUEIQ-JLHGSKIFSA-N 468.526 0.952 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOC)CCO2)C1 1835240708 YVCMXIYRABSCPA-HTAPYJJXSA-N 453.536 0.396 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835349597 LZZNNLGAWHIJAX-FDDCHVKYSA-N 480.583 0.680 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835351446 VZWKFMCATUFICN-QRWLVFNGSA-N 456.586 0.407 30 20 JCED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)CC1 1835481974 TWGWGIRTFLELSF-UHFFFAOYSA-N 473.662 0.504 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835755980 XQILSURLXIVGLM-NRFANRHFSA-N 493.605 0.335 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1)c1ccc(O)cc1 1835765661 CQKRYAHMGVFCKQ-DZRGJMJISA-N 487.553 0.408 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835873773 BSYAFIPXTUAOMH-SPLOXXLWSA-N 461.544 0.935 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(F)cc(F)c1)CCO2 1836116308 YWHYELPSZYDQGA-XXGSHBOYSA-N 463.481 0.822 30 20 JCED O=C1NCc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)ccc21 1837150584 SQOGCJMRZHMIQC-MHDVSZCYSA-N 486.525 0.529 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1837396453 HGTNYRAWYUAURE-OPAMFIHVSA-N 464.519 0.341 30 20 JCED COc1cccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837525354 UYCDSRAYMIQKLR-KDYRRFBVSA-N 476.530 0.618 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1837527333 LOBYEKPHIGYYKZ-FQJGDMNZSA-N 466.579 0.848 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1837528274 DDDWNPZXWGXXQO-QNRXVKNXSA-N 471.514 0.933 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)no1 1837547030 KONFDXMNBXVRCE-XMMPIXPASA-N 466.494 0.221 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837563313 WDGRCGNKCODBJM-YVABFXQFSA-N 452.471 0.511 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837563503 NGIUDNITFJICQP-NYNQOQISSA-N 452.471 0.511 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3I)CCO2)C1 1837963093 BQRPAYGASUBYDJ-KRWDZBQOSA-N 487.298 0.634 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncon1)CCO2)NC(=O)OC(C)(C)C 1838324958 ULTOEMUBMPVQHX-AOMKIAJQSA-N 479.534 0.999 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838739419 RTTLPLWSYVSVKO-GAJHUEQPSA-N 491.545 0.232 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)cc1O)CCO2 1838886913 VTRKEWVZECSPMZ-FUMRIQNTSA-N 459.499 0.329 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c(O)c1 1838888515 CPXKJWUDKVFHDA-UZXXWRCNSA-N 477.514 1.000 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CC[C@H]4CCC(=O)N4C2)CCO3)cc1 1839080703 GZGWWHNCAVTQMV-MCEYFSPLSA-N 480.565 0.958 30 20 JCED CC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131242 TUEMTNXSRXBWDP-QHCPKHFHSA-N 478.546 0.573 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cncnc4)C3)C2)c(C#N)c1 1839131830 BKPHNGKJSNHUAU-VWLOTQADSA-N 479.537 0.989 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1839174423 AUMCYLVSBPXSCW-QFIPXVFZSA-N 457.487 0.309 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1839225899 YGFUWEJJNOZCJS-MZNJEOGPSA-N 487.557 0.748 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)cc(C(F)(F)F)c1 1839443261 WBWFQNZKKGZXCG-LAUBAEHRSA-N 497.474 0.240 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c1 1839451447 SYMCZOSVOIDHPO-DEOSSOPVSA-N 466.494 0.252 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839618599 PDDGTDAKEOJTDQ-UZQCKINESA-N 471.489 0.402 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)COc2ccc(O)nn2)CCO3)cc1 1839667519 VCLUZTMXEXSBNM-DEOSSOPVSA-N 481.509 0.522 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)OC(=O)OCC)CCO2 1839685348 NZVIVHSCEKBOCN-HRAATJIYSA-N 456.492 0.514 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(Br)ccc3O)C2)C1 1840043533 DZJCTDIZXPWSSD-HXUWFJFHSA-N 481.299 0.242 30 20 JCED Cc1c(Br)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)nn1C 1840161807 BGSFTPWSAWMWGY-YVEFUNNKSA-N 461.382 0.879 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)OC)CCO2)C1 1840212499 LEXFWSGXUXXNQS-VQDLLJBESA-N 467.563 0.947 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)NC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251531 JKZZBFSJPYOIKE-KDLAUNOPSA-N 494.589 0.533 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)cc1C#N 1840264589 HATIIJITUKONQE-RUZDIDTESA-N 496.520 0.340 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1840715672 JWTUXEJMFPUSGB-HOYKHHGWSA-N 465.510 0.641 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841962592 VLWIMDJGNDHZAO-XDEPDNQISA-N 461.519 0.257 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)[C@H]3CNC(=O)C3)C2)CC1 1845999733 UOHZCWKDRVKEDO-MRXNPFEDSA-N 459.547 0.867 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2[C@@H](O)CCN2C(=O)OCc2ccccc2)C1 1846233923 GLOHXBBDZZXQPA-QGEPZOCXSA-N 496.564 0.820 30 20 JCED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2)NC(=O)OC(C)(C)C 1846934276 WKTRREDBJHKXQW-SFHVURJKSA-N 498.646 0.780 30 20 JCED N#Cc1ccc(CN2CCN(CC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 23257929 DZJRWJPIAAFDKQ-YADHBBJMSA-N 460.600 0.871 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)CC2)cc1 506473254 WZDXRSOWXCRHGV-UHFFFAOYSA-N 463.541 0.155 30 20 JCED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 516011074 SXRGXKGISHSIES-UHFFFAOYSA-N 456.480 0.801 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c1 524282215 WMNCOLGZHCWHII-UHFFFAOYSA-N 477.608 0.976 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)cc1 603922028 UNXQXWBOZPDIJO-UHFFFAOYSA-N 472.571 0.860 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434402 UKGCFNORXASUQF-UHFFFAOYSA-N 456.480 0.804 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1ccc(OC)nc1 608883777 GFFFTFUBIZHWLL-UHFFFAOYSA-N 480.502 0.796 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccccn2)c1=O 618433697 RLLZFZDJRNWFOA-UHFFFAOYSA-N 462.487 0.508 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1 729008389 BDHRQCAXTIUSNY-UHFFFAOYSA-N 471.491 0.524 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CCS(C)(=O)=O 729671386 LKTOOZJKKWZBBU-UHFFFAOYSA-N 483.999 0.646 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CCOC 838246290 DUEYPHFUYIIGAN-UHFFFAOYSA-N 493.969 0.984 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)c1 849196053 SOLAZUVADUJGJF-KDURUIRLSA-N 460.600 0.860 30 20 JCED Cn1c(=O)ccn(CC(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1=O 916952429 FJVRTWBJPNXDMR-KRWDZBQOSA-N 473.511 0.069 30 20 JCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 918270663 XVHHBLRPRYEWBQ-UHFFFAOYSA-N 483.504 0.920 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCC3(CC2)OCCO3)cc1 918987067 VXLWQKQBQUADKQ-UHFFFAOYSA-N 451.501 0.837 30 20 JCED CN1C(=O)c2ccc(NC(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2C1=O 921168984 ODFXHNNIKKDWSK-UHFFFAOYSA-N 456.436 0.244 30 20 JCED CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1)S(C)(=O)=O 1314700614 SGQMJRFVEIIVNX-UHFFFAOYSA-N 455.548 0.854 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2csc(C(C)C)n2)c1=O 1318150644 KTRFREDRIUDMKV-UHFFFAOYSA-N 450.586 0.792 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCCC1 1360704679 JCLCJPHJOQCHGK-GOSISDBHSA-N 487.634 0.967 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1505139676 SBKMWWYBCVTPGP-OAQYLSRUSA-N 476.559 0.352 30 20 JCED CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCN(C)CC1 1505187857 OHXSDZMQRJJEEA-WMZOPIPTSA-N 496.707 0.892 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC(=O)N1CCOCC1 1510201625 VUZGDHCTDPANIV-BEFAXECRSA-N 453.569 0.267 30 20 JCED CC(C)NC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1541697706 PARZVFWVFNGGHK-OAHLLOKOSA-N 492.581 0.750 30 20 JCED CC1CCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1544521649 TVWRYUMTIAGZGI-YLJYHZDGSA-N 469.587 0.785 30 20 JCED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1554493767 IPGOHAXGFLUOCA-GOSISDBHSA-N 472.575 0.702 30 20 JCED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C 1693773580 KTJNLDSBPCNPLA-NVXWUHKLSA-N 457.560 0.765 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCS(=O)(=O)CC)CCOC1 1696092534 UDVNGYRJQHVPDS-PXNSSMCTSA-N 452.581 0.541 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1696634167 XZGITLZTKDNGBA-KRWDZBQOSA-N 460.564 0.267 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2nccs2)C1 1698313045 RPQPHLQYSRADSY-SUMWQHHRSA-N 455.541 0.752 30 20 JCED CO[C@@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCOC1 1711618600 OVFAGSOPMFALJO-JOCHJYFZSA-N 454.535 0.815 30 20 JCED CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1723090201 QXEXJDFUGXDFNM-QGZVFWFLSA-N 452.519 0.715 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1728665899 JLUPDVQTUCPBMS-HXUWFJFHSA-N 494.600 0.570 30 20 JCED CCC(CC)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)OC 1743974759 MDVSYSZKOHYDEO-HZPDHXFCSA-N 456.569 0.545 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1769380283 OEJHBPKVVUTMTM-IIBYNOLFSA-N 476.559 0.662 30 20 JCED O=C1NCCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC5(O)CCCCC5)C4)C3)cc21 1779065593 YGPHFKKBJKSRKD-DEOSSOPVSA-N 469.542 0.159 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1779394980 HBHGHCRWOKKMES-HYBUGGRVSA-N 483.569 0.453 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2cnccn2)C1 1779473102 IWCPZOANCBUTTP-UVELEOGVSA-N 474.562 0.910 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780338800 BGVLPEUMCBNZKO-HXOBKFHXSA-N 489.529 0.786 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1781165556 MYADDJYNKJHPBS-FDDCHVKYSA-N 474.562 0.805 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1781169410 OPDJATIICXTXRU-OSPHWJPCSA-N 487.557 0.910 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C1CCOCC1 1781206639 ZEPSAQVEADMENU-MHECFPHRSA-N 493.557 0.614 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1781290205 GNBLLBYZXUNXEW-MWTRTKDXSA-N 493.561 0.228 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782650298 UFBPGNABLUULJO-OPAMFIHVSA-N 481.619 0.217 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783134761 DEOQEHRXXWICFA-KKLQWCBXSA-N 474.514 0.515 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)=NO2)C1 1783429560 NFKPQBSUSFOKIY-PKTZIBPZSA-N 490.513 0.060 30 20 JCED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783562792 IHLQRZCLJGTJKX-IBGZPJMESA-N 469.903 0.243 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567676 WAVPCGVDCGQNPF-SEPYTNNBSA-N 463.531 0.988 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 1783995788 AHVSHMCAIWSMRD-SAHWJRBASA-N 498.577 0.657 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1784786695 YMHPMQCXIODRPY-UNJWAJPSSA-N 496.605 0.086 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787494920 OYWCSGGIAKJJBT-QNILMXGZSA-N 452.577 0.342 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1788660665 FBFVMWYCGRCZCL-YARWHPPASA-N 457.549 0.072 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1789809295 ZJCFTQYMKCCXQG-JZCOGDJRSA-N 481.590 0.785 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1789952300 AMIUFTZIEONYDY-ICUGJSFKSA-N 470.567 0.653 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791333372 QCWXKZLMVOVZFN-GVZUZGFXSA-N 457.593 0.656 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1793353869 HJDZDLPSLIHZJP-KWWJQKEASA-N 465.547 0.746 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795413070 KYQCHUNTCANAFZ-JYYAWHABSA-N 464.519 0.336 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795423963 RUKBZGIXUABOLE-URIBORFWSA-N 489.573 0.253 30 20 JCED Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)c1C(F)(F)F 1796602043 QXDLUZWQKLGEFW-AYMMMOKOSA-N 490.332 0.997 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(C)=O)CC1)c1ccc(O)cc1 1797306230 QDTXJEOGULQBLG-TZKYFUQOSA-N 496.608 0.643 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1797707031 WCBYYAMCURZDLV-MIMASFHYSA-N 460.531 0.155 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1797808389 DJHXFPKWIDCGCT-PDJFEZEYSA-N 464.544 0.597 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=S)NCC)NC(=O)OC(C)(C)C 1800187452 IWXBMTSIRKUNTC-AXVVYFOYSA-N 497.662 0.920 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(=O)n5[nH]nnc5n3)C4)c2c1 1800874107 KUPMTIMUKVBFOG-CLLJXQQHSA-N 458.442 0.126 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2)NC(=O)OC(C)(C)C 1801930741 MZMCBOXUENESLY-VBXOEGAOSA-N 466.579 0.158 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(=O)N(C)C)C2 1802283775 YWNCREYYUNVOJE-YVSFHVDLSA-N 495.577 0.518 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CSCC(=O)OC)[C@H]1c1cccnc1 1802478314 RYIYRFFCACIFNZ-JZXMRFPWSA-N 460.556 0.852 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)Cc2cscn2)[C@H]1c1cccnc1 1802482616 MITBJVPNCPQXLS-IBBFVQSDSA-N 468.583 0.972 30 20 JCED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1812443204 AQHITRXUQMXSMW-BJZZIADLSA-N 491.639 0.586 30 20 JCED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1815213478 XJTAZGQCDDRPBV-RDJZCZTQSA-N 453.565 0.723 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817466653 RPMNFROOEOALIA-HNNXBMFYSA-N 466.506 0.728 30 20 JCED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)n(-c2cccc(=O)n2C)n1 1817686185 XNPOEKXMOZODJP-MRXNPFEDSA-N 477.481 0.996 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821036094 MFMSOBOGYDOMLF-NSHDSACASA-N 456.532 0.540 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)[C@@H](O)C1 1825669391 CTQFJWJDLFAJSZ-OBJOEFQTSA-N 478.527 0.371 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CC(=O)NC)CCN2C(=O)OCc1ccccc1 1828581290 YKSAVNLTRAHGPI-DEOSSOPVSA-N 454.527 0.988 30 20 JCED Cc1ncc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cn1 1828662715 GESMIFJVPKMSLV-RUZDIDTESA-N 491.504 0.939 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CCN4C)C2)C1 1829766316 RBJFEISZLPLOTF-KBDOHKNDSA-N 468.554 0.607 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1829781865 KBLSOQHWTQOSAF-DEOSSOPVSA-N 464.607 0.599 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)c1ccc(O)cc1 1830049029 VPDVBZVWPFFDMY-NLFFAJNJSA-N 486.569 0.617 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830959798 FUOPFEVSFOKRDP-CYFREDJKSA-N 489.573 0.945 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc(Cl)c3OC)C2)C1 1831397486 RSDJNBJCVBNWMZ-BTYIYWSLSA-N 451.907 0.852 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1831426038 FFBHYBDMQBPINN-UZUQRXQVSA-N 467.563 0.901 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1831491099 VUOWCONEMNMFJL-XLIONFOSSA-N 477.649 0.069 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1831999773 CECKDAHLFSGUHX-FXKZBUDASA-N 467.563 0.683 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)cc1 1832801187 TYUQJCAVVOPSCA-NRFANRHFSA-N 454.443 0.433 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CC2)CC1 1833464887 ARTOQISVYQFALK-RXVVDRJESA-N 494.633 0.872 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)=O)CCO2)C1 1834719890 HTIIBLQGJMXVOH-HYBUGGRVSA-N 473.526 0.903 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099085 YUQBJESLDNRFIF-CPJSRVTESA-N 487.553 0.380 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)CC2)CC1 1835670156 WDDDDAHUPXPZAJ-GYMRMKKLSA-N 457.619 0.757 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1835674715 KXVSIQXQKZSVNN-HSZRJFAPSA-N 473.530 0.205 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1835682228 CEEIGIUWWAEUDV-QFIPXVFZSA-N 473.509 0.220 30 20 JCED C[C@@H](Cc1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682937 YXTPIUKWGMNKMD-YADARESESA-N 457.575 0.998 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1836215920 RNNIPHSWWLFZIC-PNLZDCPESA-N 453.536 0.389 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320586 HEBIESTVGVZRIC-UTKZUKDTSA-N 497.474 0.957 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)CCO2)C1 1836552465 IYUCXISYCQRMLD-XMSQKQJNSA-N 462.503 0.941 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1837309121 JVGIJIJIFMXJNL-OFNKIYASSA-N 483.631 0.883 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1837397576 QPFCTTFIKMBPGR-OPAMFIHVSA-N 459.503 0.078 30 20 JCED CN(C)c1cncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837441191 WJFYHFKUFRRATQ-XTVKVDEJSA-N 458.563 0.689 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837480508 RTNKVVASRIKDJJ-HTAPYJJXSA-N 459.551 0.015 30 20 JCED CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(C)C 1837491751 XKYJPNPTKHWWRF-XUZZJYLKSA-N 464.559 0.729 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1837528306 FPQSZNVBGSXDMT-OIUBOPETSA-N 488.501 0.034 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837532770 GCPGZDLEHJGDAS-WCIUPCNNSA-N 453.536 0.523 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837640090 BVMBUDODMQVOGJ-NTKDMRAZSA-N 466.542 0.875 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1O)CCO2)c1cccs1 1838372308 SQFUCIDSDNQDHI-YEFOHOTDSA-N 458.496 0.753 30 20 JCED CCNC(=S)NCC(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838392331 WTDMZAUMCUYYHK-KOEQRZSOSA-N 466.652 0.941 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838401948 CWNWMQGVBHTNDW-MEYBWYFJSA-N 482.578 0.165 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)ccc21 1838737135 JSIXORZIQRIKDC-XMMPIXPASA-N 478.509 0.461 30 20 JCED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1OC 1838840336 ILQWCDQYELQOLP-HSZRJFAPSA-N 475.546 0.451 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908688 NMZGJOONHVLDGT-QPPBQGQZSA-N 480.525 0.099 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)N2CCN(C)CC2)CCO3)c1 1839104456 SGGRJTQYOMOXJV-UQBPGWFLSA-N 485.585 0.273 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210176 GXXUKVUKNCITKP-HTAPYJJXSA-N 453.536 0.132 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c(Cl)c1 1839423640 OVQCKZFIGPDHRJ-JOCHJYFZSA-N 462.934 0.614 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CSc5nc[nH]n5)C4)C3)c2c1 1839489080 MUNMYQYVVNIIRJ-OAQYLSRUSA-N 482.526 0.415 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839856659 CTJCLMAZEMEVLD-HTAPYJJXSA-N 468.551 0.048 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864704 KTHBLIXCLUABJF-GAJHUEQPSA-N 482.578 0.568 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1839873931 NBRGQZLEOGKLKJ-QSAZIKIQSA-N 482.578 0.437 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1)NC(=O)OC(C)(C)C 1839886789 HKIGYGXVGLCUDR-DVECYGJZSA-N 496.605 0.829 30 20 JCED COc1ccccc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839954265 YFUBDLGCMLSNLC-DEOSSOPVSA-N 458.559 0.976 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)C1 1840043070 GNCXNTORRVNNGC-QFIPXVFZSA-N 472.885 0.888 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1)c1ccc(O)cc1 1840221898 RKJFKDMIPCVCBI-JPYJTQIMSA-N 474.583 0.972 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)n1cnnn1 1840473889 ZLBYEPZDDJHSOH-HTAPYJJXSA-N 453.503 0.195 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1840818963 HSVLUANPGYVUCY-DEOSSOPVSA-N 456.543 0.879 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1840819873 KSUPXNSCZCQHNS-RUZDIDTESA-N 490.520 0.679 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1840912192 BOIJYBWNUWLXTB-NLSFWIRASA-N 475.546 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1841052966 KDAAOGRADGWWLR-SGZXQDBCSA-N 454.527 0.228 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCN2C(=O)C=CC2=O)C1 1841758805 YYXXEVCFNJHMJL-INIZCTEOSA-N 458.515 0.422 30 20 JCED O=C1CN(c2cccc(C(=O)N3CCCC34CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)n2)CCCN1 1842305054 GESCWYWKLUVWFE-MNVTYAKESA-N 484.557 0.754 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CC)C2 1846365864 ZRRGLWGHKBZNAY-HOTGVXAUSA-N 468.551 0.766 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1847806582 WZGGZEXLONVJME-BPUTZDHNSA-N 458.540 0.081 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCc3ccccc3C#N)c2)c(=O)n1CC(N)=O 519506746 ABBUCECFZQKUOI-UHFFFAOYSA-N 499.552 0.651 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C#N)c(Cl)c1 522541785 WAENIOMGFNXHQQ-ZDUSSCGKSA-N 482.953 0.812 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)c1 603989180 USJZLWMXHPRXJJ-UHFFFAOYSA-N 471.579 0.953 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(=O)N(C)C 604269798 CKPAVBCVFDIISR-UHFFFAOYSA-N 477.384 0.790 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O 609074626 YQTUBCHNZLLPPU-UHFFFAOYSA-N 466.441 0.419 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)CC1 728534014 CYGWJZLENOJZDL-KDURUIRLSA-N 490.626 0.869 30 20 JCED C#CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)cc3)NC(=O)N2)CC1 728572428 CTOJZYRINALUFR-OAQYLSRUSA-N 473.961 0.878 30 20 JCED C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(N)=O)CC1 853708256 KEIXNBMUJILHTE-ZDUSSCGKSA-N 450.517 0.161 30 20 JCED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 856597944 OAFJKJOFBDOGAR-MRXNPFEDSA-N 451.545 0.848 30 20 JCED CC(C)[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCS(=O)(=O)C1 876701186 OQCNIODZXRKILK-KDOFPFPSSA-N 485.584 0.376 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1 914606714 LHAULDUHXUCFNY-UHFFFAOYSA-N 482.628 0.865 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 915200839 MGVQRRXIQQKNMN-QGZVFWFLSA-N 471.539 0.994 30 20 JCED CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 918818538 SXDFWJYOPAYCNP-UHFFFAOYSA-N 478.571 0.764 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1541675655 SGPVPCQKTIMAQT-DLBZAZTESA-N 484.527 0.856 30 20 JCED CCN1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1615895057 PVVNMKAJXHZCSR-GHTZIAJQSA-N 498.629 0.081 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN(C)CC(F)(F)F 1692793661 IJEWDQQDCIZWJF-HOCLYGCPSA-N 492.572 0.949 30 20 JCED CC(C)N(C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1706886563 ADVXTCAVDMOIJE-FUHWJXTLSA-N 452.629 0.795 30 20 JCED CCOC1CC(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)(N2CCOCC2)C1 1728917592 XYNKVMDZJLSEOH-DKTYTTGXSA-N 461.567 0.415 30 20 JCED COCC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1749614054 PRBSFLGCMRXPLW-DENIHFKCSA-N 492.602 0.907 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1N1CCOCC1 1751224924 UFRRVDZNXDQLDS-YWZLYKJASA-N 478.554 0.610 30 20 JCED C[C@H](CN1CCCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1761429972 ZWIGEMHQBLZWIL-FUHIMQAGSA-N 469.587 0.785 30 20 JCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1763112538 QPJBOBNJPDDDHJ-JKSUJKDBSA-N 459.580 0.499 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1=O 1769879921 PDMNKMRPHYEPCH-GOSISDBHSA-N 487.586 0.393 30 20 JCED N#Cc1ccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)NCC(F)F)CC2)nc1 1771533495 NEEIMJNIMGMARF-CQSZACIVSA-N 459.461 0.204 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779313786 MKYWJGSIZLBHCJ-QDOIMOTRSA-N 475.546 0.293 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780331272 QFYXMDSZZNKSTJ-AOMKIAJQSA-N 461.519 0.606 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1781166493 QYZGXKPOQFAVRS-BSRJHKFKSA-N 464.563 0.648 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781168561 XNPOGANTWNQVMG-BXKMTCNYSA-N 491.589 0.869 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1781400789 XBSMVNXIANSIOR-DDOIHHOZSA-N 482.578 0.988 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)ccc1Br 1781901972 AWJFAFDDJDAHGS-YWZLYKJASA-N 490.314 0.362 30 20 JCED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1782201006 YJDSSKKUBKHYLA-QNFHRHJVSA-N 464.588 0.257 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783168308 YNXFHLOZVXVTCE-ZBWOKKAISA-N 462.547 0.422 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1)NC(=O)OC(C)(C)C 1783898706 VODZWDIOCIGGFF-JZKQVHKSSA-N 459.565 0.591 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C[C@@H]21 1784486145 ZTYRRKQEJFGSIY-XTHUUODCSA-N 479.574 0.688 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccc[nH]3)[C@H]2C1 1785248666 INWZCJRNMNRKRI-LNLFQRSKSA-N 460.531 0.624 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccn(Cc4ccc(F)cc4)c3=O)[C@H]2C1 1785685873 JJRDIRWDLPLNQV-WDSOQIARSA-N 482.468 0.112 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21 1788575974 WNCUQWJUHJFDJC-UDDWMFPDSA-N 456.587 0.936 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOC)C[C@@H]21 1788576332 PXBVZYFZEMCFBG-LWYYNNOASA-N 456.580 0.609 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1789928639 QVMIPXSPJCXSTG-IJKOJPKGSA-N 492.573 0.954 30 20 JCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C2 1795083439 FSSHJQBHKAUPED-HBCWATKFSA-N 454.936 0.512 30 20 JCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(Br)cc(F)cn3n1)C2 1795083832 SXCJBYDCHYNXOX-WDAIWFPHSA-N 451.256 0.748 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1797699766 GHDISGHCLQPZSP-HEFCWWFNSA-N 457.531 0.407 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c1 1797810202 LGGBBONIIXYMLZ-NEDQEEEMSA-N 479.555 0.822 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)c1 1798573825 RGYVVDRCRGQOKQ-CWPLJXCYSA-N 454.443 0.575 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1 1799055297 KZUZWVDUASVXAL-BORCDFBASA-N 496.612 0.895 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(N3CCN(C)CC3)CC2)c1 1799191453 CCSPMQPBZBCPMC-KOUNCHBCSA-N 451.571 0.850 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1799221602 JUBRGXLEPMCAKA-ZMMAXQRCSA-N 491.589 0.641 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2OC)C3)c(C#N)c1 1799239142 YIXNBBXCZMOTPL-XEMDLRDOSA-N 451.483 0.811 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)/C=C\C(=O)NC2CC2)[C@@H]1c1cccnc1 1802481333 HSABQQKOQQMOCU-LJUVWUTNSA-N 451.527 0.781 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)C=CC1=O 1802543948 JFAXDHTXGNELDB-YVSFHVDLSA-N 458.515 0.466 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1804092163 ZDRSAVORSJZAOI-XMSQKQJNSA-N 467.526 0.338 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1804095104 YMTBKCOURGZBNQ-JTSKRJEESA-N 476.493 0.833 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807358128 WVMJNNYBRDHZST-AHZADQSTSA-N 474.481 0.844 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)CCOC1 1808590007 DZOZXSJYGKMJOI-WSCWJOSJSA-N 486.525 0.859 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]3c3cccnc3)c2c1 1812070080 XAMFXEZZPIRQBU-AQOAWAETSA-N 474.525 0.742 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815669800 URSYLOUQIKOYAK-DOTOQJQBSA-N 451.549 0.171 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1819842205 WWJMCQFIXGPIJL-CYBMUJFWSA-N 459.528 0.306 30 20 JCED COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1820190429 CPTHTDHGGYCKFH-OPBOMBAJSA-N 450.565 0.678 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC3)c1 1821384517 DBMNKYIXAFFBJZ-DOMZBBRYSA-N 468.495 0.847 30 20 JCED O=C(C#Cc1ccccc1)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828523421 QHUGMJXOVCFVGS-SANMLTNESA-N 477.517 0.801 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1828580243 PDTXUXSYXJPGGH-CPJSRVTESA-N 494.552 0.769 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCN2C(=O)OCc2ccccc2)C1 1828909876 WBOZIVCUCCHOSF-HRAATJIYSA-N 483.612 0.801 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCN2C(=O)OCc2ccccc2)C1 1829205541 AVPPAYFVZBUKRF-ZQDYSYBYSA-N 476.599 0.480 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1829460376 MRCPXFMMMSOHPY-UQBPGWFLSA-N 495.536 0.450 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830051040 UQXXGULJFKRXSV-VUMVONDWSA-N 472.542 0.172 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1831396946 MVNWFYYNNBNQSB-LHSJRXKWSA-N 461.906 0.720 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831404463 NSVBKJIAKUHAAZ-MBSDFSHPSA-N 485.578 0.311 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1831411332 PISMWQQWFVQHOO-JOCHJYFZSA-N 464.519 0.152 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1831413658 DIGWPSHYUCONEH-GOSISDBHSA-N 451.442 0.104 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1831427241 QQKXDKYWWSCHDW-OSPHWJPCSA-N 470.526 0.595 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831673633 TWLQDPMREBZUEZ-MSOLQXFVSA-N 465.547 0.970 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1832454113 ABSLCCNEFFBTHH-HXUWFJFHSA-N 469.585 0.474 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)Cc4ccc(C#N)cc4)CC3)CC2)CC1 1833107269 NQJIVVGBIWUCAJ-UHFFFAOYSA-N 494.640 0.836 30 20 JCED COc1cccc(-c2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)c[nH]2)c1 1833376286 OKRSMHWDOZEOLD-XMMPIXPASA-N 467.478 0.848 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cnn1C 1834426197 SDPGSQBGWAEUHM-QHCPKHFHSA-N 463.498 0.860 30 20 JCED CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)c4cc(C#N)c[nH]4)CC3)CC2)CC1 1834624854 MJMLMNUVMWTVGD-UHFFFAOYSA-N 455.607 0.709 30 20 JCED CN1CCN(CCC(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)CC1 1834714830 VCQMTMUSAFTKBZ-UHFFFAOYSA-N 475.682 0.477 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)[C@@H]1SC(=N)NC1=O 1835099673 QRXJZKVPFCGYMO-BTCOZLQPSA-N 470.551 0.297 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1)c1ccccc1 1835256247 DBGCRAUMACCFML-OFNKIYASSA-N 462.568 0.685 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1)c1ccccc1 1835315024 XBGACOIWGHNWJK-OTPAQWSUSA-N 453.539 0.919 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1835675172 KOGPNNBHMYSTOM-QHCPKHFHSA-N 461.538 0.892 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835807126 LHUWCQCSHGTKRS-WGULIFDRSA-N 456.543 0.044 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)ccc1Br 1836148596 ATXJDAGHALUEQL-LJQANCHMSA-N 490.318 0.077 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1836215648 IRYJEIVUZYNEPV-HKARXFIJSA-N 478.546 0.117 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836225999 RELBCOUGHDQICF-PMAPCBKXSA-N 465.547 0.538 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524861 ICMVGOKXLMBZTO-BUBCTMACSA-N 452.552 0.456 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837640089 BVMBUDODMQVOGJ-DVECYGJZSA-N 466.542 0.875 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837822878 PFKAIDOJRIABCZ-HSZRJFAPSA-N 452.467 0.808 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838436487 IMUVQJKQRJBSDO-WAIKUNEKSA-N 456.499 0.387 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838628196 ZPPYLCJZDFNMRA-GAJHUEQPSA-N 491.497 0.967 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)cc1 1838951768 HNDVZJDXPBQPEU-XMMPIXPASA-N 460.494 0.914 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839085490 IVFOUVQOPFBESX-UZINWLIJSA-N 496.564 0.794 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)c(C#N)c1 1839133084 ZUWBXJQGVWPXNO-IBVKSMDESA-N 499.612 0.202 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1839175521 OFZYBYKODTXHJL-QFIPXVFZSA-N 463.535 0.613 30 20 JCED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839346067 SVWOOVNEYWZFLG-PNIUZAESSA-N 489.572 0.879 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])CCO2)C1 1839462439 MPDHEHDHPQNPDM-QMHKHESXSA-N 489.481 0.490 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488977 KJASERXNRSZISM-MBSDFSHPSA-N 466.498 0.125 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839665828 AJDLFNRQRKHPRO-AQOAWAETSA-N 464.588 0.611 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]13CCO[C@@H]1CCN(C(=O)OC(C)(C)C)C3)CCO2 1840011210 RUEIKSARZZTANA-DQMJNTIXSA-N 477.558 0.492 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C[C@H](F)[C@H](C3)N1C(=O)OC(C)(C)C)CCO2 1840038857 YJTFCUGGFHTCLV-UTJZJXFBSA-N 465.522 0.812 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c([N+](=O)[O-])c1 1840163272 FOZWAONNAHBXQS-XCLFUZPHSA-N 467.500 0.770 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4cnnn4)C3)C2)c1 1840716113 DVWDJRCJCRUSTC-JLHGSKIFSA-N 453.503 0.631 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1)NC(=O)OC(C)(C)C 1840795550 NYNYONZYMZJFTE-GAJHUEQPSA-N 482.578 0.391 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840797021 WBWIHAUYOXFWKZ-HOYKHHGWSA-N 493.557 0.568 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)COC)C2)C1 1840906424 BJXCIADORAWWFS-BSRJHKFKSA-N 467.563 0.642 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840907295 SZXMPVQMJXLXDC-HOYKHHGWSA-N 489.525 0.626 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1840915421 FGRZCLULASPNFP-UUOWRZLLSA-N 494.589 0.405 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(C(=O)OC)cc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c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 519456643 NPDXAYSQPVJKDB-KRWDZBQOSA-N 465.576 0.096 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCNS(C)(=O)=O 589160720 MJRVYDQFWLHLLH-CQSZACIVSA-N 463.581 0.586 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2cccc(Cl)c2)sc(=Cc2ccnn2C)c1=O 618433584 KJLDBFLHEUPSHE-UHFFFAOYSA-N 455.927 0.771 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3cccnc23)c1=O 725763404 JXBXRZLZFHHVBC-UHFFFAOYSA-N 452.536 0.760 30 20 JCED C[C@@H]1CN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 726294466 SGRBSZMCKIJDFN-SAZKUCFMSA-N 451.549 0.275 30 20 JCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 728888809 GLONXWMEBBZQRP-KRWDZBQOSA-N 479.603 0.191 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(F)cccc2Cl)c1=O 729672742 FXRAOYROQGZBSI-UHFFFAOYSA-N 469.947 0.529 30 20 JCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 761773824 XWVCXKRAJUDUMK-UHFFFAOYSA-N 476.515 0.465 30 20 JCED CC(C)CN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 769216292 PKHHNBIEBQEZMA-MRXNPFEDSA-N 471.557 0.051 30 20 JCED CC(C)[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(N)=O)C1 876675174 FORHSSIFGLIHJG-KSSFIOAISA-N 464.544 0.407 30 20 JCED CS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)OCCO2 914557957 UXZLUCKSUWPIPZ-QGZVFWFLSA-N 482.584 0.997 30 20 JCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 915785926 WETTTXPAOZULIP-UHFFFAOYSA-N 458.500 0.141 30 20 JCED C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(c3cc(C#N)ccn3)CC2)C1=O 917423282 TVRXRKPAPWQGQQ-QFIPXVFZSA-N 468.539 0.903 30 20 JCED C[C@@H](NC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCCC1 918818262 OIWGXLBKIOPFAL-CQSZACIVSA-N 450.517 0.176 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1C#N 1154386533 HTKBFARPAVEMCF-KRWDZBQOSA-N 459.551 0.765 30 20 JCED COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)OC 1315800037 SEHVROBAHNOSSJ-OAQYLSRUSA-N 483.573 0.459 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1502426733 LTUSOEKGZPVMKD-UHFFFAOYSA-N 450.547 0.601 30 20 JCED CS(=O)(=O)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1505130678 JMTGWQJZQUMTTJ-INIZCTEOSA-N 474.609 0.176 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(OC(F)F)c1 1611711539 PRRJDUKVUQMKPC-WCQYABFASA-N 457.463 0.662 30 20 JCED CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCS(=O)(=O)NC 1729065295 LOFDZYQTWAMIQX-UHFFFAOYSA-N 451.528 0.701 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)NCC(F)F 1741909687 WHPFWDQYGGCPLA-LBPRGKRZSA-N 455.491 0.778 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1 1760689345 WEECLRQBHFVMCN-CVEARBPZSA-N 462.580 0.764 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1761483486 ZCHGOPAMAYGANM-MLGOLLRUSA-N 450.562 0.544 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)CC1 1778115024 KWMRFOYSSYNZAC-HSZRJFAPSA-N 474.583 0.868 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nc1 1779100261 AGKLNYZSFWCYGS-NGPKUFNOSA-N 480.543 0.458 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1)c1ccccc1 1779184639 UGVSPEKHCJWYCX-HOYKHHGWSA-N 475.509 0.453 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)NC(=O)c2cnccn2)CCO3)c1 1780175158 KLGDHFSCHOWLND-FYSMJZIKSA-N 478.509 0.619 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)c(C#N)c1 1781171340 SIGPQJSUNYBICW-OPAMFIHVSA-N 463.556 0.620 30 20 JCED CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(C#N)cc1)C2)C(=O)C(=O)O 1781538100 YJTLOILLWSHSOQ-WZONZLPQSA-N 456.499 0.158 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c(Cl)c1 1781968851 TZHQPFADFVPREU-QFIPXVFZSA-N 456.886 0.970 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)n4ccnc4n3)C[C@@H]21 1783530729 XDCVJHUIJYCSOB-TYEGUXDJSA-N 452.515 0.489 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CCO2 1783889119 QFPOTKMSOIOZCU-JFYOXFBFSA-N 477.649 0.797 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c(C#N)c1 1783929349 LUHXSPKUADHORY-PKTZIBPZSA-N 459.499 0.555 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1784370895 LKKLTQCCJRGXEP-RDGATRHJSA-N 478.553 0.791 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(I)ccc3F)C2)C1 1785244114 DQFGOITZSLIIEJ-SFHVURJKSA-N 486.237 0.962 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1787512650 TYROGZLFHADPSW-HOMWOOPLSA-N 458.496 0.982 30 20 JCED COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788652647 JVKMHMGBVXVEDW-XATGBNEJSA-N 457.549 0.401 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC)[C@H]2C1 1791474711 GQFIJUKXIZDNEN-QAETUUGQSA-N 468.551 0.792 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)c2ccccc2OC)C1 1792814781 VDFSTGZYDNNPJU-UDKICSLYSA-N 485.581 0.930 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ccc1NS(C)(=O)=O)C2 1793346295 JCAUHPRQHNOWFX-ZTENYAIWSA-N 483.974 0.953 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 1793777647 YCNYFXOUUHQTKJ-DCXXXQMHSA-N 459.591 0.649 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc4nnc(Br)n4c2)C3)CC1 1795410032 GEMCNYXZDUJWDT-AGGWBTHJSA-N 459.304 0.999 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795600937 KOWCUKHEYZABQK-MTHXSQLBSA-N 493.605 0.228 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1-c1cccc(=O)n1C 1795932723 DEEBUKUNPRIDNX-QSNWEANLSA-N 469.542 0.674 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)c(C(F)(F)F)n1 1795996934 CKHQZSXZARJTQS-VZAMPYOESA-N 486.472 0.752 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O)c1ccccc1 1798356484 OFLJDSXQUMGKRM-IYWMVGAKSA-N 461.522 0.976 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1799304033 JDISIUJZXQAJPJ-ZSBFGKGUSA-N 455.467 0.534 30 20 JCED CC(C)[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)NC(=O)OC(C)(C)C 1800781103 IFPIZNGZRJXQSU-UIVXKWKOSA-N 451.520 0.603 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)O 1801952294 YZGBYOUDZDYWAV-ZOFXXKQRSA-N 468.551 0.811 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1802124641 GPQQHIBLHPMYGK-LVEJAMMSSA-N 462.547 0.019 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1803175849 AJRIDSJPFMYICA-LTMIRXACSA-N 498.561 0.851 30 20 JCED CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nc1 1805056071 UJAXANZDKFVKEN-MGPUTAFESA-N 456.480 0.288 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813176942 HHNRMKYEAARVKF-VGOFRKELSA-N 454.483 0.522 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2C(=O)OCCO)n[nH]1 1820198419 MLGKVMNJEPHAIW-KRWDZBQOSA-N 454.439 0.953 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)c1 1825327487 JOVFIXZKGWFAKU-MRXNPFEDSA-N 473.555 0.536 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](N)CN)CCN3C(=O)OCc3ccccc3)C2)CCC1 1829051343 YETOQWWDVAATFL-YADARESESA-N 468.558 0.418 30 20 JCED COCCCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330567 KZTBDGGKESQMPR-DEOSSOPVSA-N 471.510 0.953 30 20 JCED Cn1cc(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)cn1 1829335085 UHLBNTACBVOGCB-VWLOTQADSA-N 493.520 0.503 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1829635581 LHZIMGIUFOVYIW-NZQKXSOJSA-N 475.567 0.524 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncc(OC)c3)C2)C1 1829764442 LVJMTHUNWLEYDA-RULWIFSWSA-N 472.542 0.338 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1829765267 QASYFAJFWOWLMX-XSAUMEDDSA-N 462.478 0.158 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1829766083 KRGWOJSABAPMHI-XBKFQHLESA-N 458.515 0.482 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1829769974 AIMWUUNNDFQWKJ-PKZHZFTJSA-N 480.525 0.400 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cc1 1830218659 YXGPVDKQZAKYJM-INXSEKFSSA-N 471.510 0.897 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2 1831319085 VMHAZOWEDKFSJR-LAUBAEHRSA-N 457.593 0.539 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1831401803 GIQWKEPKWLIIPI-KOSHJBKYSA-N 457.527 0.497 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3c(=O)oc4ccccc43)CCO2)C1 1832761291 XNQUEAIJKXZELC-RUZDIDTESA-N 499.568 0.723 30 20 JCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1833147069 FRCMVIRSCWEQNI-UHFFFAOYSA-N 453.609 0.533 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1834109711 QGXJBISNJZIEKD-UZFJHSOTSA-N 475.546 0.949 30 20 JCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4n[nH]c5c4CS(=O)(=O)C5)CC3)CC2)CC1 1834913273 DPEPVXQFEZGHJH-UHFFFAOYSA-N 460.560 0.327 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835352326 SSHOHHHXTZEPNU-GLYQVZKVSA-N 492.573 0.630 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835381555 SDWRXFVHCVBNAC-WZONZLPQSA-N 468.595 0.864 30 20 JCED C=C(C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1)C(F)(F)F 1835513240 NPTWUYUEERKIMW-UHFFFAOYSA-N 473.540 0.841 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1835681203 UDOLFBVOHOVDKA-XMMPIXPASA-N 481.557 0.619 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1837390848 DMEOZNIPTSWZJT-DVECYGJZSA-N 456.543 0.906 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1837400612 IMLKTLJMVDKNPL-LYXWCMDISA-N 463.575 0.417 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839726749 FZEBIUHWSKKOMP-ODGPQVTHSA-N 456.543 0.382 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3noc4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1839808628 VUMCWLXENSLMNC-HSZRJFAPSA-N 474.514 0.671 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)cc(C(F)(F)F)c1 1839872655 KMBYNTSUOVSNJI-IERDGZPVSA-N 480.443 0.783 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccc1O)CCO2 1839908512 ISWNWGBLOPMLBP-LPEYTCNWSA-N 461.515 0.920 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840019259 WLJJLVLTKIOHQX-VXEMUYFQSA-N 474.558 0.859 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840149757 ZIISTYGJMXIYNR-QZTZHPFYSA-N 493.557 0.614 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840457834 WMUGAABIYJQBKI-JRAWHSNHSA-N 461.519 0.395 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)n1cnnn1 1840476887 SUWKYEQMAAGUMC-BMSLLPBFSA-N 460.516 0.191 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815724 GIQJDGFMXCESJY-NXMSCROESA-N 492.573 0.507 30 20 JCED Cc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818658 OHXMRURZSWXBFL-QHCPKHFHSA-N 453.499 0.749 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1840819880 LBFSFTLCCXQOBI-XMMPIXPASA-N 476.493 0.979 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1840906679 GTXVGMSKRGTXAH-JXQFQVJHSA-N 494.589 0.274 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840909345 XYLZUITXBLOIER-JPYJTQIMSA-N 490.561 0.041 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1841597956 FCAWLJUEMJORKX-DLKQWWBSSA-N 469.604 0.890 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1847068711 GQKCANSYSPOMJO-CVEARBPZSA-N 453.561 0.684 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO 10351020 BIMLYAKLHASDDZ-XOBRGWDASA-N 454.549 0.941 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccnn3C)c2=O)c(C)c1 502058085 YJIFIAKSQWZSPY-UHFFFAOYSA-N 492.605 0.201 30 20 JCED C=CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 514359839 BKCXHXXHDHKKTE-UHFFFAOYSA-N 465.576 0.090 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c1 602246409 NZARXGHJSJLSJE-UHFFFAOYSA-N 458.496 0.736 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119982 VAROYBMUKLYCRB-UHFFFAOYSA-N 489.619 0.865 30 20 JCED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 604506891 QIXVHVMOPNMOCN-UHFFFAOYSA-N 499.549 0.292 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2OC(F)(F)F)c1=O 613083775 JCTOTDRGQPOHKM-UHFFFAOYSA-N 496.511 0.780 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)C1=O 726043256 LYRMOOHAEBYEEI-UHFFFAOYSA-N 463.468 0.872 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1=O 726043936 WIEHTYLZCHOTBG-UHFFFAOYSA-N 486.890 0.049 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)CC1 728536279 RTLSVXOXGWBAMO-UHFFFAOYSA-N 468.579 0.981 30 20 JCED Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)n([C@@H]2CCS(=O)(=O)C2)n1 799650618 IMOKIIGSDLYHGR-IERDGZPVSA-N 470.511 0.829 30 20 JCED C[C@@H](NC(=O)c1cccs1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 812870534 LNUQJXHMJVDKBV-OAHLLOKOSA-N 490.563 0.814 30 20 JCED C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)NC1(C#N)CCCCC1 914668319 PPJWGPLJNJXYAX-HNNXBMFYSA-N 462.528 0.695 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 917272459 LUXQYBOCWXTDSL-LJQANCHMSA-N 491.591 0.985 30 20 JCED NS(=O)(=O)c1ccc(C(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 918817266 DMPIMZLZSRUJIB-UHFFFAOYSA-N 451.482 0.189 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 918818062 VPQDZQCTQBAWEN-UHFFFAOYSA-N 498.561 0.659 30 20 JCED CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1299252064 PVIXIASKPMQOAS-OAHLLOKOSA-N 475.550 0.654 30 20 JCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)[C@H](C#N)C1 1309272699 XWZJJSTXPXULJU-OAHLLOKOSA-N 458.562 0.740 30 20 JCED N#Cc1cc(Br)ccc1CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1473239589 OHKWREJZCDGDRA-KRWDZBQOSA-N 455.378 0.742 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507786434 VOXLCPKKXMHQMJ-ZDUSSCGKSA-N 496.453 0.997 30 20 JCED COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)cn1 1519184023 TUOQMGNJMZXYTB-UHFFFAOYSA-N 470.559 0.790 30 20 JCED N#C[C@H]1CN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=O)NCC(F)F)CCO1 1620357151 SDZNHXUZURZJSQ-IBGZPJMESA-N 488.543 0.753 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 1634894966 ODMUSIPIDLPJBC-KRWDZBQOSA-N 458.544 0.749 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNC(=O)C1CC1 1692794037 JKCFZNCAAWVZFP-INIZCTEOSA-N 486.602 0.613 30 20 JCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1712699463 RMPDYCRHJAAPKA-UHFFFAOYSA-N 485.614 0.996 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cncn2)CC1 1740811336 QXEFITKEARZOQL-MRXNPFEDSA-N 470.987 0.872 30 20 JCED CN(C)CCN1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1747592160 ZMEVFBMPKZVCCF-LJQANCHMSA-N 467.578 0.928 30 20 JCED CC(C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1760820852 VXBXWOAHXOCXKB-RBUKOAKNSA-N 490.586 0.831 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1777998077 BVNNTXLYEBOIMN-XMMPIXPASA-N 468.510 0.956 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)ccc21 1778612691 WTEKHXVLPCVUTL-WZONZLPQSA-N 454.483 0.093 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(=O)n5[nH]cnc5n4)CCO3)C2)c1Cl 1780192350 UJBXJVXZDYEWRU-OAQYLSRUSA-N 467.873 0.700 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1782206761 MVDLEDDIZJMRBY-NWXRHAQCSA-N 469.535 0.645 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cc(C)cnc34)C[C@@H]21 1783530914 UQNBQSSJIHJLOK-PMSLMXJFSA-N 452.515 0.489 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1783531579 XFXXGCAEQPHHNW-DSSUSFPESA-N 494.589 0.100 30 20 JCED Cn1c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc2c1-c1ncccc1OC2 1783563251 ZLTHDWZIHCGACK-QHCPKHFHSA-N 450.451 0.511 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CCO2 1783889127 QFPOTKMSOIOZCU-MVHFDLLOSA-N 477.649 0.797 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21 1784495038 SKOLSIQHTBGDOI-LWYYNNOASA-N 454.520 0.444 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1785571616 FWLHDZWRTHBHPV-FDDCHVKYSA-N 480.631 0.782 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1785576500 DRBINIPMPDBXSI-QMHKHESXSA-N 483.529 0.484 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1785728059 OXWXAVIACAXNPR-WZONZLPQSA-N 473.530 0.966 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4snnc4c3)C[C@@H]21 1786859221 XVTNBVIVGGSIAR-QRTARXTBSA-N 457.560 0.961 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787537467 WRZAFUZLVUTDHO-IGGJEDBVSA-N 452.511 0.797 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cnncc5C(=O)O)C[C@@H]43)c2c1 1790327417 AWNAQJCWAZYRRI-IXDGSTSKSA-N 475.465 0.830 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccc(O)nn4)[C@H]3C2)cc1 1790591754 SXTFYAYSHLDNHA-FHWLQOOXSA-N 451.483 0.921 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)CCNCC4)[C@H]2C1 1790619301 VAMZSSDBCCLIQV-VCOUNFBDSA-N 470.570 0.873 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC(C)=O)C[C@@H]21 1792255309 GWHDPXLFSPTFGL-OMZCGLGVSA-N 478.590 0.797 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCNC)C[C@@H]21 1792257946 QKZURCQHCUZWNK-VJANTYMQSA-N 450.580 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(N(C)C)ccc1[N+](=O)[O-])C2 1792489820 WTPZZJNGGDDNEA-VLTQWEFMSA-N 471.514 0.722 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 1792903257 XGQCIHVVOKYWBD-HPNQWNLUSA-N 457.458 0.108 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1793382838 ILPHTUSNLSTHGT-YALNPMBYSA-N 452.602 0.436 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1793824423 JWHIIDGDUPOBLH-MVJTYMMSSA-N 485.603 0.952 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccn(C)n1 1795814915 HIVJJIZHYQJJGI-WQDJSCAQSA-N 459.547 0.469 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795997027 PHSSBHZMSORYAN-JFILPPLUSA-N 488.488 0.856 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1799934879 PLIXUWJSVVKACD-NWCWSAAOSA-N 461.515 0.737 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccc(C(F)(F)F)cc3n1)C2 1800779491 LHEPOUFPFJLFPK-KSPBDQMDSA-N 450.373 0.644 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800800161 UYTUWRZTALOSKM-OGJJZOIMSA-N 481.546 0.071 30 20 JCED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2)C(F)(F)F 1801698674 FMZRNCAGTTZMFV-CLLJXQQHSA-N 468.436 0.190 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1810357138 OOFKUPMCLKPHBG-NQOSEUIUSA-N 452.533 0.661 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)ccc2F)[C@@H]1c1cccnc1)C(=O)C(=O)O 1811729311 DJNAXSVAPTWSHO-UZLBHIALSA-N 467.457 0.955 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815672941 MZEVOLIUPGTYEO-QGZVFWFLSA-N 481.575 0.642 30 20 JCED O=C(C#Cc1ccccc1)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816670514 UUZYOMPLENUYJA-ZDUSSCGKSA-N 460.479 0.547 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817815665 PPMFWGFJBJYUCT-KGLIPLIRSA-N 455.479 0.415 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)C#CC(=O)O)CC4)ccc21 1818358302 WPIAWEINCGAUIN-LBPRGKRZSA-N 453.480 0.647 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826802582 FQNVNHXPSGGNJM-QGZVFWFLSA-N 457.512 0.613 30 20 JCED CC(C)[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330659 NMMGKBCDCOJACB-QPPBQGQZSA-N 471.510 0.543 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1829342788 OHPXCWGKTFLHCO-CEXJFXJFSA-N 491.614 0.350 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCN(C)CC4)cc3)CCO2)C1 1829693678 RVNGAOOHGXAWKB-RLWLMLJZSA-N 484.597 0.547 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1831019328 AWWGUXFIIQHCAN-JOCHJYFZSA-N 458.471 0.089 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1831396489 MWGGBDDSSJNBHY-MWTRTKDXSA-N 457.483 0.126 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 1831402113 OELXYWZDFGERHW-GLDPYIMESA-N 479.574 0.881 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1831424932 OGLDEYSFVCJWKZ-FDDCHVKYSA-N 455.515 0.928 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1831434095 QVAVFOQLJBPTHT-HYFFOGBASA-N 455.552 0.947 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)c1 1833237573 HGWDKHFHSXFLFA-UHFFFAOYSA-N 480.569 0.614 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)c(=O)[nH]c1C 1833386195 PJCNCOKGBAVQNU-RUZDIDTESA-N 479.537 0.961 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1833468788 WJDBVFDQIMQDIA-QGZVFWFLSA-N 470.574 0.240 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC(F)F)cn1)CCO2 1833638073 ZQGSUKPUIIQMCJ-LXHZQTKUSA-N 480.468 0.611 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)c(O)n1 1833699743 BYOXPEXSRUZSTP-QFIPXVFZSA-N 457.487 0.718 30 20 JCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)CC1 1833707918 YXKRMTZOENNYRG-UHFFFAOYSA-N 463.604 0.748 30 20 JCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1834527184 KCUYGUGVLQSUJI-HSZRJFAPSA-N 458.515 0.254 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(Br)nn4c3)C2)C1 1834758655 TUDGJJDTWAZOTF-GOSISDBHSA-N 463.292 0.475 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCOC[C@]2(CN(C(=O)C3(C#N)CC3)CCO2)C1)c1ccccc1F 1835345763 AAZBOAODZGARLQ-ISKFKSNPSA-N 472.517 0.937 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)[C@H](C1CCOCC1)CN3)CCO2 1835500268 OBGYAYZAFYUEQU-HFZDXXHNSA-N 497.548 0.780 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)cc1C#N 1835566424 GXKYLCOOCAOVNC-YADARESESA-N 487.557 0.008 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CC1 1835681277 RGHPGVDBSCGNPC-DEOSSOPVSA-N 493.605 0.593 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1)c1ccccc1 1836146837 CLAZHKUNLQVYCW-REWPJTCUSA-N 452.515 0.327 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c(C(F)(F)F)n1 1836321964 SBQBTEMUALCATQ-NRFANRHFSA-N 491.426 0.989 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C4\C(=O)Nc5ccccc54)CCO3)C2)c1 1837325467 SIZZACSQYISHEI-BVJONSBASA-N 461.478 0.992 30 20 JCED N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccccn1 1837489865 WYQHMYMUHXHILZ-URXFXBBRSA-N 456.543 0.236 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)NCc1ccco1 1837490843 RSFFPOFTLHULSY-HWMYGDGXSA-N 499.564 0.607 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837490897 SMKVMDIZJAONPA-HXUWFJFHSA-N 485.463 0.592 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529705 CHWWSVSUHWWYSX-CKLGFQRSSA-N 493.557 0.727 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837564844 BBTOSIYVSHYMQJ-ZREPJCBASA-N 470.461 0.651 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1838529181 PCWNGAJBCLREMZ-DEOSSOPVSA-N 450.495 0.570 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(C(=O)OCC)c3)CCO2)C1 1838719404 UFJHPPJXRZRICU-GAJHUEQPSA-N 459.499 0.367 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 1839072110 COHICWCWNDAQNC-YZZKKUAISA-N 465.547 0.491 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1839175520 OFZYBYKODTXHJL-JOCHJYFZSA-N 463.535 0.613 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1839223385 UHVYXYWAZUMXFA-VGSWGCGISA-N 458.519 0.689 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424294 ZNZZLUQJIMBUGQ-DYESRHJHSA-N 480.905 0.346 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)CCC(N)=O)C3)C2)cc(C(F)(F)F)c1 1839443256 VSMNHAVNSAPBJN-LAUBAEHRSA-N 497.474 0.240 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H]4C[C@H](F)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1839810728 NVQKXVBELICPNT-DEFNNUQUSA-N 465.522 0.812 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]13C[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1840008867 OOMPJHAZQKMIQG-NUQURWJTSA-N 491.585 0.738 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1)c1ccc(F)cc1 1840162680 FCTMGFHHIBDXSZ-XQAUZQBESA-N 453.536 0.778 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840319036 NLEKAKIXCQRQEB-OPAMFIHVSA-N 484.550 0.268 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)cc1 1840410733 PAROOXVSXWKOOE-HSZRJFAPSA-N 451.483 0.692 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840431582 LKOMINQSWQGBQW-HYBUGGRVSA-N 458.559 0.674 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1 1840713782 IYBRFMDUMDOBJS-CMJOXMDJSA-N 467.482 0.899 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816243 UHVGLPKNBVNRTC-HOYKHHGWSA-N 454.527 0.955 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1ccnc1 1840818547 IZWBFTYGXRVBGV-MBSDFSHPSA-N 453.499 0.851 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840902322 JVPZVZHEEAZSRT-MZNJEOGPSA-N 465.510 0.775 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1840912788 RDRTUHFDAVPNOF-IEGYKGNPSA-N 466.579 0.507 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1841056433 HFEZQVXKDZQRRS-HJCTWCACSA-N 478.546 0.505 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1841597957 FCAWLJUEMJORKX-DYJNRGOWSA-N 469.604 0.890 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1844159109 KHQRXWCIEGUUGV-MRXNPFEDSA-N 493.561 0.795 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1844287782 PSXCMQGMHGXKFP-GOSISDBHSA-N 453.455 0.746 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846460924 VHDPHBPNXNSVOH-MRXNPFEDSA-N 460.531 0.974 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccnc1C(N)=O)C2 1847069839 AKXXUWRTZLRVFH-INIZCTEOSA-N 455.515 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847089728 DLMOJQLFQOGEOB-HNNXBMFYSA-N 466.535 0.468 30 20 JCED C=CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 517832173 XFCNHFKHEFIRTE-IAGOWNOFSA-N 466.560 0.688 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCNS(C)(=O)=O 589160143 CUSVIBLHTHMLIZ-UHFFFAOYSA-N 469.535 0.855 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CC(=O)N(C)C 604269961 KXDDPPYUGGOJKF-UHFFFAOYSA-N 456.568 0.352 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c(Cl)c1 604270566 ZQBNLJDWJORJHT-UHFFFAOYSA-N 460.943 0.442 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)o1 608828872 OXBKBVTVWQZVIY-UHFFFAOYSA-N 498.586 0.632 30 20 JCED COc1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1[C@@]1(C)NC(=O)NC1=O 608981973 WDLFSZFXQQQAFW-JOCHJYFZSA-N 484.538 0.964 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1=O 726042380 BIMRUHMINDDHJM-UHFFFAOYSA-N 456.455 0.059 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCNS(C)(=O)=O 727163743 HQIADADPGQAQLI-AWEZNQCLSA-N 479.628 0.529 30 20 JCED CN(C)C(=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 728349751 KIGMNTXSDIKTQU-UHFFFAOYSA-N 484.534 0.950 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)nc1 729009046 PMJIBDHSAWFINV-UHFFFAOYSA-N 455.492 0.955 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Cl)c(F)c2)c1=O 729671661 UDCVRQWQOOPCIS-UHFFFAOYSA-N 469.947 0.529 30 20 JCED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 729687532 PWAUCXYJYHRFSE-DZGCQCFKSA-N 457.530 0.069 30 20 JCED C[C@@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ncnc2[nH]cnc12 811520800 VLBATEXFIVKAEY-LLVKDONJSA-N 457.472 0.742 30 20 JCED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 824669025 BXBQXKPRIPBEOW-LBPRGKRZSA-N 459.318 0.765 30 20 JCED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1=O 906486622 OICUEKRYITXOGX-VBKZILBWSA-N 469.564 0.854 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 914632358 NDPAWXVLPOVFTL-AWEZNQCLSA-N 453.517 0.827 30 20 JCED N#Cc1ccc(NCCNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 916521411 FYQYQTAWQMTKJL-UHFFFAOYSA-N 459.488 0.989 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 916716698 YMPXOZPPGBXOEE-CLCOLTQESA-N 462.576 0.928 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)CCO4)c(=O)n2CCOC)CC1 917770223 IIOZVHAIURSBHV-UHFFFAOYSA-N 468.579 0.158 30 20 JCED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 918244343 UAPLOEFOIANDHS-HJVPCKCQSA-N 479.603 0.911 30 20 JCED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 921172299 POADBHJPPKAGGO-UHFFFAOYSA-N 493.586 0.094 30 20 JCED N#CC1(c2ccccn2)CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 1296994746 WUSWBRTWYTYVOE-UHFFFAOYSA-N 453.524 0.900 30 20 JCED COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316074914 RSGMLALRQLYIES-UHFFFAOYSA-N 467.578 0.572 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 1668036099 MGJAJMJUAJROPT-CQSZACIVSA-N 450.546 0.498 30 20 JCED CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1691099353 WTBBOTBIYDRLBR-OAQYLSRUSA-N 459.576 0.718 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722481405 YNWAUBUZSSWBLY-NWDGAFQWSA-N 462.374 0.353 30 20 JCED CCCNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1728196212 VDJSAULMMYMUAW-OXJNMPFZSA-N 467.596 0.657 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(C)(C)N1CCOCC1 1761498622 HIJAQXSNLAXWLJ-FUHWJXTLSA-N 480.639 0.176 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CC1 1778351979 KRIAXPCCKWDGCH-XMMPIXPASA-N 472.973 0.686 30 20 JCED Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C3)cn2[nH]cnc(=O)c12 1780018443 CNAOTBQZOLBURI-HOYKHHGWSA-N 483.573 0.740 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781111865 PEUXFNYPUYIILC-MIVHDCIWSA-N 467.563 0.635 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781309091 XETJHOWCAYNLTK-MQNAVGNWSA-N 465.547 0.538 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CS(=O)(=O)N4CCCC4)CCO3)C2)c1 1782059953 LDLOCGJACSFKRU-QFIPXVFZSA-N 460.556 0.736 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(C)=O)C2 1783268215 DRLOOBRTCLGPOD-AVDZWTPASA-N 478.590 0.942 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)=NO2)C1 1783429624 PNIHSFYWXWMKKG-FCHUYYIVSA-N 461.519 0.886 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C[C@@H]21 1783531425 PIYWMLHPPXMMNX-CRQUZRIGSA-N 486.481 0.775 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784012446 SSSFFYXKYVWEPU-ZEQRLZLVSA-N 495.573 0.698 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2)c1ccc(O)cc1 1784014751 QILQQHKIOKMEIU-AVRWGWEMSA-N 490.520 0.764 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1)NC(=O)OC(C)(C)C 1784414002 ASWZKNWWHNDAHN-MHORFTMASA-N 466.579 0.962 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21 1784784388 JMBKVUCPIOKCRZ-NXOAAHMSSA-N 452.552 0.701 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1785308672 MCNOFAJMVVTONW-SEPYTNNBSA-N 464.563 0.812 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)CC1 1785349463 FLPBVIAYLUTEAL-XMMPIXPASA-N 486.573 0.883 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622922 ZLTPKTCJSPYKQO-HXOBKFHXSA-N 479.578 0.572 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1785623222 ASBQHOVUJPAERJ-KSFYIVLOSA-N 480.566 0.462 30 20 JCED COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)cn1 1787605299 UAZRTVCXDIEWGF-RWWRFMNPSA-N 474.514 0.991 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/N5CCCCC5)C[C@@H]43)ccc21 1787962488 ZKMSPXKEPARPFY-CWWCBOJOSA-N 482.585 0.942 30 20 JCED CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5ccc(C#N)cc45)[C@H]3C2)CC1 1790327136 SYMJGIDQHSTJHL-CUWPLCDZSA-N 465.558 0.275 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc[n+]([O-])c1 1794250951 BLKPLRVUKLLBDU-HUIKVJECSA-N 472.542 0.993 30 20 JCED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)c(=O)[nH]c1C 1794313204 QPKFDPKCZCMSGH-XEMDLRDOSA-N 451.483 0.541 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2sc(C)cn2c1=O 1797064441 KMOXVYDBBPTGIB-YALNPMBYSA-N 460.556 0.841 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)CC1 1797137853 JUKDYWKMRUFTIQ-VTYHHJSWSA-N 459.568 0.299 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1797815173 KZDWQIJZYAOQMC-SDBDJDPRSA-N 452.508 0.634 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])cc2c1OCC2 1798518152 DLNXLXCPCHKATP-KOVVAMBWSA-N 470.482 0.591 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc3ncnn3c2)c(C#N)c1 1799083905 COOCXNURQYIZCX-NXKWYNOOSA-N 474.521 0.984 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)nc4cccnn24)C3)ccc1F 1799327591 KUNZZYPZLGNEIX-GPVSGQMNSA-N 476.468 0.546 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](CCN(C)C)(Cc1ccccc1)C(=O)O 1800292524 AXRIMNBXMBMPBR-ISUIZHTCSA-N 499.608 0.880 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2[nH]nc(C(F)(F)F)c2C1 1800319750 PPSSOOZOHZDJLP-XKSGDERDSA-N 454.449 0.771 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1801286642 KQPWUCFFLXERPD-VAKZPMALSA-N 490.524 0.108 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1802188175 NUCSFCCNNBJPAD-DCXXXQMHSA-N 494.589 0.246 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1802480282 FNKCIQPPUXVXKF-AAZQJQCHSA-N 489.598 0.371 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1802496474 BPBYARFDIQSAGO-ZEUIOTOJSA-N 487.607 0.806 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1807151672 WTACZYCKARUROC-NQIIRXRSSA-N 451.531 0.626 30 20 JCED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807943755 IACVJHNDSRWPOT-UZLBHIALSA-N 466.502 0.510 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1810326310 AUNGDJROPSDGDT-WIYYLYMNSA-N 478.486 0.511 30 20 JCED COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)c(C#N)c1 1815066503 HMVINNQOLSTAFT-GOEBONIOSA-N 470.555 0.771 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1819392989 BMGSSOXYOZZBSB-PLVXZXGYSA-N 466.506 0.918 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCN2C(=O)OCc1ccccc1 1828619961 ZSQGZQVSMRMHKV-RUZDIDTESA-N 478.505 0.387 30 20 JCED CC(=O)NCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829311115 KUBGMWCRQMPFMP-XMMPIXPASA-N 484.509 0.053 30 20 JCED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)cc1O 1829629964 KSWDCQRLTHPYEL-QHCPKHFHSA-N 453.499 0.700 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1829764588 ORGQFCXTURZURO-KIEWMECHSA-N 471.510 0.141 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1829771093 DOMKWXDYRRDGEB-WNWNSBFKSA-N 486.525 0.279 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)n(-c2cccc(=O)n2C)n1 1830056397 VZUYMDGRDNNLAJ-DEOSSOPVSA-N 482.541 0.499 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2)C1 1831136541 JFDZSRMMOAZMHM-KKSFZXQISA-N 475.608 0.693 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831147440 HBBCAPIKBKNNSW-VWLOTQADSA-N 487.553 0.724 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831223424 RSKWQVHDYPHLCN-NTKDMRAZSA-N 477.558 0.492 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H](F)CN3C(=O)OC(C)(C)C)C2)C1 1831391438 BHJXHMIXKGRDID-FVJVTNMWSA-N 497.564 0.829 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1831396393 DUAWMFWEWCBYFN-OYHNWAKOSA-N 475.454 0.432 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1 1831997738 FRAUTAOYXYDCLH-JTSKRJEESA-N 454.568 0.474 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCO2)c1cccs1 1833119912 RTEJUYMTAYPENP-LFTXJPJQSA-N 456.524 0.976 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CC2)CC1 1833219318 WKQOCKKTZXBTCS-ASPBEGMCSA-N 482.647 0.853 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833596230 BGEPQOSONLVTMK-XLIONFOSSA-N 471.601 0.510 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1834099858 IQNLZQGDSPMTIE-OPAMFIHVSA-N 463.535 0.949 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cccn4c(O)nnc34)CC2)CC1 1834715211 IMWJSKYHMPKACP-UHFFFAOYSA-N 482.589 0.902 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)CO2)C1 1834767244 OMVPVURWNZCDDC-GAJHUEQPSA-N 478.546 0.382 30 20 JCED CC#C[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1)c1ccc(O)cc1 1835068062 HATWHXZTLOCEOV-CVDCTZTESA-N 455.603 0.747 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)CC2)CC1 1835356535 CFFXQNLMCVCOJJ-RUZDIDTESA-N 489.617 0.469 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1835362930 XCRVXZSLHFZYRG-SSPYTLHUSA-N 456.543 0.382 30 20 JCED CS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836321705 CGXDLDVBSFOCSK-SFHVURJKSA-N 490.460 0.087 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)c1 1836359695 BVYZZMMOBPGLHZ-UNMCSNQZSA-N 455.559 0.475 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)cc2C1 1836774579 BGTIHUMCQSNWFV-HSZRJFAPSA-N 488.545 0.617 30 20 JCED O=C1NCc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)ccc21 1837150350 OTWWYTKNTUIKHQ-PODSUIKTSA-N 469.542 0.472 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1837441221 XNXHPXZFXCCFPV-IIHIVLJSSA-N 465.938 0.982 30 20 JCED CC(C)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(C)C 1837442324 VWLCJGZRJZNJGT-ZRINGLHMSA-N 451.612 0.937 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446977 LHTKGJCALPWWIW-XTVKVDEJSA-N 481.594 0.829 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)C1(O)CCC1 1837525863 QGFGVBADFCXUBM-WBFUMKGTSA-N 453.536 0.523 30 20 JCED COC1(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CCC1 1837532322 BFWZVXHROHVRNW-SUGVQOHVSA-N 453.536 0.931 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CCc1ncccc1-3)CCO2 1838481466 KXKJTJDFEMZEEU-QHCPKHFHSA-N 450.499 0.944 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)c1ccc(F)cc1 1839038327 CJXDPVHUEFSONK-IBZMOEQTSA-N 453.536 0.778 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839130815 VPEODRUCYIIGJK-MHECFPHRSA-N 494.589 0.405 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c(C#N)c1 1839133274 IRYAUUHUZBKPEY-QHCPKHFHSA-N 468.514 0.248 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n1 1839224914 RSAIUSWJDVNVHQ-UTKZUKDTSA-N 451.524 0.400 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)cc1 1839363270 AGBFDYCUMQDMPW-HSZRJFAPSA-N 451.483 0.080 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)CCO2)C1 1839470546 UUBMIKYVASKLMZ-MWTRTKDXSA-N 491.497 0.720 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5CCOCC5)C4)C3)c2c1 1839487982 PEFVCHNVYROSNZ-HSZRJFAPSA-N 453.499 0.931 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NO[C@]4(CCCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 1839805801 QGUYBVDORMTYRN-DNQXCXABSA-N 490.557 0.622 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)CC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839833294 UHKVIOXQOGLMGQ-GAJHUEQPSA-N 465.547 0.988 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839988386 LSMRAZJDOZTQLT-KKSFZXQISA-N 456.540 0.768 30 20 JCED CC(C)(CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840040377 WZYJAVMJEKOVET-QFIPXVFZSA-N 467.519 0.224 30 20 JCED COc1ccc2c(c1)CC[C@@H](CC(=O)N1CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1840042679 HUZQEASUNIOPOD-CJAUYULYSA-N 470.522 0.735 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)cc1C#N 1840763073 GGLLLCROWXDSOK-CYFREDJKSA-N 487.557 0.008 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840843446 QADHJMRGNFLIGY-VGSWGCGISA-N 453.536 0.132 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840882116 AFJHXRUMJLPFJD-WAIKUNEKSA-N 496.561 0.449 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1840907512 XJVAAUNHLPXLAP-DFIYOIEZSA-N 492.617 0.844 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC12CN(C(=O)C(O)O)C2)Cc1cccc(C#N)c1 1841917688 SMCXYVZVMCVKHK-GOSISDBHSA-N 472.542 0.898 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)C3=NNC(=O)C3)C2)CC1 1844224187 RSNOICIGEGANTM-UHFFFAOYSA-N 458.519 0.607 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)c2C1 1846195836 IWBVZASSHKQHJG-UHFFFAOYSA-N 457.487 0.539 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cc(C)c(O)nc2=O)C1 1846967086 LRZWOVUSERMICN-INIZCTEOSA-N 475.546 0.930 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1nc3ncccn3n1)C2 1847069223 CREDSVINQHEPAH-HNNXBMFYSA-N 453.503 0.858 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)C1=O 499245958 BOKODDBPFFWPKI-UHFFFAOYSA-N 477.524 0.976 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)NC[C@@H]1CCS(=O)(=O)C1 509733078 ZEJNPHNZXAVBQO-JQWIXIFHSA-N 453.464 0.795 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1cnn(CC)c1 523182071 UHNAMMVLQCPMQO-UHFFFAOYSA-N 463.519 0.707 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCCOCC 592992203 QCOYIEVQBLKNPT-UHFFFAOYSA-N 482.541 0.861 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(=O)N(C)C 604270125 HKGDYEVAKVRWQG-UHFFFAOYSA-N 454.552 0.352 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 604484749 RGDFCFNPBJOVJY-UHFFFAOYSA-N 484.506 0.648 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2csc(Br)c2)c1=O 727163614 FATFCAHKMOQGLT-UHFFFAOYSA-N 459.372 0.310 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 728038940 BOPIABYXUPCZDE-NSHDSACASA-N 455.458 0.628 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2\S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cocn2)cc1 730724437 LWWADHFCOSLZTA-XOMICKMZSA-N 463.541 0.991 30 20 JCED C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NCc1cccc(C#N)c1 746569781 XGBPCXAGZYUTLB-OAHLLOKOSA-N 472.523 0.786 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3F)CC2)sc(=Cc2cnn(C)c2)c1=O 837285519 OQRZGNCZZOOCMQ-UHFFFAOYSA-N 478.553 0.820 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc3ncccc3c2)c1=O 838181827 IYAIQFHAYBQGGE-OAHLLOKOSA-N 452.536 0.759 30 20 JCED C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)c1 918312885 UMIPROQCKVOXCZ-UHFFFAOYSA-N 461.521 0.988 30 20 JCED CN(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1517029447 PVOOTLFIHLWQNF-UHFFFAOYSA-N 481.586 0.749 30 20 JCED CC(C)N(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1607904242 OGYXDEFIVTVCFH-VQIMIIECSA-N 457.576 0.783 30 20 JCED CN(C)S(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617715339 SJTJQMUVYXTMQP-LJQANCHMSA-N 473.603 0.968 30 20 JCED N#Cc1ccc(OCC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1Br 1628646763 KOZQIZJKOUFBNY-OAHLLOKOSA-N 451.321 0.749 30 20 JCED CC(=O)N1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1690867859 JLOASQAGQQUTSI-HXUWFJFHSA-N 450.547 0.901 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(C)CCOCC1 1692797028 ULKKWEUVXLIZRY-DOTOQJQBSA-N 451.597 0.882 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1729544829 XKSPGNAGQKUKGB-KRWDZBQOSA-N 466.589 0.769 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC(=O)N1C 1743316041 RNFMCRKKWKKCMV-MRXNPFEDSA-N 453.503 0.254 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 1749885961 ZQKBMUFKQOKTML-QGZVFWFLSA-N 473.603 0.850 30 20 JCED Cc1nn(C)c(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1751823472 NSVATNSWUQCIII-SUMWQHHRSA-N 450.569 0.748 30 20 JCED CN(C)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766858467 LTTZTVQPWQBSNS-GOSISDBHSA-N 486.602 0.642 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H]1SC(=N)NC1=O 1778080824 MLHOBDXSQLVHRA-CVJLGGGVSA-N 495.602 0.832 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)C(=O)N4)C2)C1 1778384720 BSKNRNLSIFQCSD-RCZVLFRGSA-N 481.505 0.680 30 20 JCED O=C1CN(c2cccc(C(=O)N3CCO[C@]4(CCN(C(=O)C/N=C/c5ccco5)C4)C3)n2)CCCN1 1779135088 SRSJRDCKMAVUFK-MDQJKVKYSA-N 494.552 0.564 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1779317214 CKDXQLIUEATVEK-NQIIRXRSSA-N 493.358 0.915 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779442936 VUXBLGHGXPKYOM-CVWUUQBFSA-N 482.541 0.821 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1)N1CCN(C)CC1 1779446029 QIERZPZCRGLXOJ-BSMQYFFDSA-N 459.591 0.848 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337833 LOOILQCAQAOBNO-JOCHJYFZSA-N 464.519 0.026 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1781168369 UGLHROOKEKCAOW-ZHRRBRCNSA-N 460.535 0.945 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1781290253 HPDFVCJOAYEJFQ-HXOBKFHXSA-N 481.594 0.947 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)ccc1F 1781299909 IQXVPHSGDQIEGV-JOCHJYFZSA-N 455.446 0.644 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781362118 JUPPDKLPPSVGNN-HKARXFIJSA-N 464.563 0.907 30 20 JCED Cc1cc(O)c(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1Br 1781959474 XAYZXINHKWAPRE-IBGZPJMESA-N 451.273 0.995 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)C1 1784383146 RPRRXXUQPHYOJX-SXYSDOLCSA-N 475.586 0.997 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)C[C@@H]21 1784486732 MCMGOEPMSOPHAF-DEPCRRQNSA-N 461.559 0.921 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn(C)c3=O)[C@H]2C1 1784734893 YJMOWKTZHQFJCV-FFGOWVMKSA-N 486.569 0.895 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1784783502 BRNSHARERWGWOB-VMXHOPILSA-N 478.590 0.962 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC(N)=O)C[C@@H]21 1784786552 ZPZXFVSTDJHSLR-JCECYMMASA-N 481.594 0.882 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CS(=O)(=O)N1CCCC1)CCO2 1785378465 DXSRPEHOCOMIAM-JOCHJYFZSA-N 476.555 0.193 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622921 ZLTPKTCJSPYKQO-GAJHUEQPSA-N 479.578 0.572 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4c3CN(C(=O)OC(C)(C)C)CC4)[C@H]2C1 1788251544 IYQQWBXDTBUGAO-BQFCYCMXSA-N 457.531 0.860 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21 1788570415 RURQTGYOPQMQLQ-ZDEQEGDKSA-N 454.417 0.894 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676799 KKHQUYWIRZFVCV-ARAOFZBYSA-N 454.549 0.006 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790655163 QXJZEPPEMGUHGS-OVWQWFNUSA-N 463.491 0.537 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1792489837 YYBBOBZKMILOGG-HSFPKCAOSA-N 492.573 0.118 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792829387 DMUQEIDABMGUBD-RMYQPGKMSA-N 462.572 0.408 30 20 JCED Cn1ncnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1794573463 DJVYUDVQXFNRBW-LXTVHRRPSA-N 482.607 0.620 30 20 JCED CC(C)(C)OC(=O)N1CCc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)ncn2CC1 1795081844 PSTWBWKNVXTREK-HGKCTWBKSA-N 472.546 0.793 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@@H]1SC(=N)NC1=O 1796426614 LGVWLQDIQUCSDR-HITLURFISA-N 462.572 0.077 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797840061 VAMAMYWOHUPMJZ-HNWDZMGDSA-N 478.546 0.564 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1800131720 HQYCZYZAOLUFCR-IYWMVGAKSA-N 482.622 0.771 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1800710670 OYCKPWZBSNKZEO-NNXHMXCWSA-N 469.604 0.920 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)CC1 1801982751 TUTGSPDVPUUEMJ-OPVJXMOQSA-N 475.590 0.823 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cn[nH]c1)C2 1802124666 GVBZDJABJDASRK-DMUMMCEESA-N 459.547 0.849 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1802126019 ACDYBGYVWJWJOQ-MVJTYMMSSA-N 498.540 0.555 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808258332 JFKBANANVVWVNE-VJANTYMQSA-N 460.579 0.843 30 20 JCED C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1812526408 AMPRCUVZNRDEET-GGPKGHCWSA-N 485.589 0.877 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c(C#N)c1 1812718021 YEWCYGDKXVNLLI-QFQXNSOFSA-N 495.580 0.497 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1812876254 GDVQJMZAAYCFGR-MBSDFSHPSA-N 469.519 0.822 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](O)N4CCOCC4)sc3C2)c1 1819889250 GGBNJUXTLGJHCQ-QVKFZJNVSA-N 471.539 0.900 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1824108206 CVFZCRRXAQFBSD-IAGOWNOFSA-N 451.520 0.580 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)COC)C2)C1 1828494606 QMZKAOLPGUTNQJ-JRUKXMRZSA-N 484.553 0.943 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1828884279 PVFXNTOAIFVMDJ-IAGOWNOFSA-N 457.535 0.619 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1829344986 FPMFASKVGVBFIB-PRCFCKQXSA-N 491.614 0.350 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1829762423 JYCDFEBJVWADHJ-ICTHTSFCSA-N 451.520 0.033 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1830885307 BDFSJMXUFXFZBK-UZUQRXQVSA-N 480.562 0.412 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(C)(C)C 1831088162 FQHJXJUKRVUMLY-PBLQJBHOSA-N 462.547 0.706 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1831386897 KOSRPMPUNSIZOC-STSQHVNTSA-N 465.547 0.491 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ncn(C(C)C)n3)CC2)CC1 1833074821 FBFPGIRQYPWGIU-WAYWQWQTSA-N 457.579 0.903 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C(=O)Nc3cccnc3)CC2)CC1 1833074831 AGAJOGAMHBQPGM-WAYWQWQTSA-N 468.558 0.450 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833596573 ICHDWISUOAJBFB-KKSFZXQISA-N 467.544 0.146 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)OC)C3)C2)c(O)n1 1833700027 OFEATFRZRJDPHV-JOCHJYFZSA-N 462.503 0.332 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1834937143 UWLBVJQOWTYVMT-JTSKRJEESA-N 454.568 0.474 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835427047 TVIMPNNAWPZPRU-KSFYIVLOSA-N 468.551 0.000 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)cc1C#N 1835439413 FXUHJYSZTUDPFJ-QHCPKHFHSA-N 458.515 0.504 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1 1835754006 KRYHDAHVBZGMOM-UHFFFAOYSA-N 456.591 0.938 30 20 JCED Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)n1 1836055532 PHPZEKRHJRGBPG-DEOSSOPVSA-N 451.527 0.923 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)N2C[C@@H]4C[C@H]4C2)CCO3)c(C#N)c1 1837287021 MCDWYPXHDDORLS-XYQHTRRXSA-N 482.581 0.906 30 20 JCED Cn1nc(C(F)(F)F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443859 LPXOGBMTQBIIDJ-GZQNEBGJSA-N 486.495 0.981 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837531519 OTQROXXGDWXIIW-HSBZUZAYSA-N 477.558 0.670 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)n1 1838906891 LLRNIUBOGTXZMS-HSZRJFAPSA-N 453.499 0.785 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)CCc5ccc(C#N)cc5)C4)C3)CC2)CC1 1839106289 XRFSJDKPWVEJQI-SANMLTNESA-N 495.624 0.727 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)ccc1F 1839185785 LJFOORLXVJVAPL-HSZRJFAPSA-N 476.574 0.745 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1839209606 ZMHWGRMEGAAPRZ-HTAPYJJXSA-N 487.619 0.638 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)cc(C(F)(F)F)c1 1839443614 QMGJMBUDQMHLDW-FQEVSTJZSA-N 479.415 0.523 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)c1 1839454190 ZGTDIDMMHLIHKD-DEOSSOPVSA-N 454.527 0.949 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CNC(=O)c5ccco5)C4)C3)c2c1 1839488065 VMAYOPROXARDEM-XMMPIXPASA-N 492.492 0.528 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2)c1cccs1 1839781984 KQSOARMTLBYLMG-PYEWKGIHSA-N 482.580 0.521 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1)C(F)(F)F 1839894634 JGOWLHJJZQVEJL-VQIMIIECSA-N 473.452 0.032 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840071836 KYIWGVCTMYLHLE-VWMXVWASSA-N 494.589 0.753 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840157481 QJTAEOCZTDXTSB-QNFHRHJVSA-N 487.619 0.786 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840166198 XUWSZVILQDIZLD-HTAPYJJXSA-N 486.635 0.314 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840362802 BKLMOPSBCFFGCB-JVIAMZDMSA-N 458.563 0.443 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1840715917 QUHALKOBGNKYJZ-BXKMTCNYSA-N 481.509 0.958 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)on3)C2)C1 1840909252 XLMKGIVLCCIKQT-NTKDMRAZSA-N 490.557 0.899 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1840909431 SPJBGURDPZTFNR-UUOWRZLLSA-N 491.541 0.759 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1847100664 PIVUCUDGTZWIQN-BVZFJXPGSA-N 470.570 0.976 30 20 JCED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)C3)C1 1847101945 TVQJXWUGWFLAIQ-XDHUDOTRSA-N 458.559 0.976 30 20 JCED Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(=O)c(C#N)c1C 19355021 URUGFMRJIOBBCW-UHFFFAOYSA-N 455.949 0.980 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCCC(=O)OC)c2=O)cc1 501761281 CZKMQAFMPYQUSK-UHFFFAOYSA-N 469.563 0.787 30 20 JCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 520082876 YYHLFRGOIBBEMX-UHFFFAOYSA-N 491.552 0.637 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 522538307 BSCJBEKMOGPORA-UHFFFAOYSA-N 487.541 0.762 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 523254778 QRDLJWKJQUPYGY-UHFFFAOYSA-N 480.521 0.793 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC2)C[C@@H](C)O1 726584974 NMOXYAYLEPPLLW-HDICACEKSA-N 490.586 0.252 30 20 JCED COCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 730725336 RZKLKYKOMHKCCW-DPFXTCQJSA-N 478.556 0.599 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O 914994891 RATWNNHGNFWEGO-UHFFFAOYSA-N 464.486 0.531 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)n(CC(C)C)c2C)c1=O 917355385 HYMDQSLMSDJZSL-UHFFFAOYSA-N 472.611 0.992 30 20 JCED C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(c3cc(C#N)ccn3)CC2)C1=O 917423281 TVRXRKPAPWQGQQ-JOCHJYFZSA-N 468.539 0.903 30 20 JCED CN(C)C(=O)Cn1cc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)nn1 920641906 QIZOWHOAGFSIMW-HNNXBMFYSA-N 483.529 0.893 30 20 JCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N3CCc4ccccc43)CC2)CC1 1459348907 QSWQHGBSZIXGIM-HSZRJFAPSA-N 452.603 0.886 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1516003717 JXPMXIJYADHMPU-UHFFFAOYSA-N 463.546 0.769 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1547765227 NOOGMZFXQUQJAG-GAJHUEQPSA-N 453.547 0.615 30 20 JCED C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722483201 ODHNNTILRBDQIV-AWEZNQCLSA-N 495.382 0.895 30 20 JCED CCN1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1728573459 XBHUBPGZUFAWSL-BXWFABGCSA-N 455.560 0.395 30 20 JCED CO[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730356180 AHRBPMWHYRGLOH-JOCBIADPSA-N 451.597 0.880 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCS(C)(=O)=O 1740745338 RYTFGSMITCRGFS-GFCCVEGCSA-N 455.400 0.960 30 20 JCED CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766384081 OEFFQLNFJFXBFM-UHFFFAOYSA-N 451.535 0.472 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)n4[nH]nnc4n3)C2)c1Cl 1777822231 ZPWAMVPZXYFFID-OPAMFIHVSA-N 496.915 0.779 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778327423 PRSHPZCDVUYTTB-NHCUHLMSSA-N 453.467 0.253 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1778785813 RLBRZKLUBQZKOG-WIYYLYMNSA-N 453.612 0.932 30 20 JCED O=C(/C=C/C(=O)N1CC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2)NCc1ccco1 1779207394 INLVFHPKLLLUQS-SPQMEYHESA-N 454.483 0.994 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779691847 RUKBJXZJLUFUAI-CXCJJAAMSA-N 457.487 0.161 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)cc(C(F)(F)F)c1 1782034242 PTVAEJKRIWQORP-UZLBHIALSA-N 467.448 0.613 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NNC(=O)C1)C2 1783267973 AOVJHBFDMVMDSB-QDOIMOTRSA-N 475.546 0.293 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C[C@@H]21 1783531213 IYSNTYVZMVMSAT-QHWWWDCYSA-N 471.558 0.125 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(I)ccc1F)CCO2 1783567911 IEDXFTUTNZHVMU-GOSISDBHSA-N 486.237 0.962 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1784373277 GADOYUDOWAHHRD-ZJSXRUAMSA-N 464.526 0.667 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1784477827 OGRRWXOPPIOUPA-MUGJNUQGSA-N 493.601 0.766 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOC)[C@H]2C1 1786642688 SVJKFYDCVIYUDW-OKYOBFRVSA-N 467.563 0.546 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1788770889 DQOARVOAUNHCPA-KJJMTIBFSA-N 456.543 0.622 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nccnc4C(N)=O)C[C@@H]32)c1 1789258801 GTZMLGGXRDVHOG-WBAXXEDZSA-N 464.482 0.363 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4nc(N)n[nH]4)C[C@@H]32)ccc1F 1789906927 YLTVRVPHASAARG-ZVZYQTTQSA-N 455.494 0.553 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)[C@H]2C1 1791027043 BGKQPNUBYLLTOE-HLXURNFRSA-N 489.569 0.947 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1792223529 OOPKDKLEOQBPDG-NBOOPKSLSA-N 466.535 0.726 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)C#N)CC2)CC1 1792631314 OLUZVJNCDQAAHU-VTYHHJSWSA-N 473.618 0.849 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793086040 LUUQUHXWKMJMTF-JCECYMMASA-N 455.552 0.443 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)[C@@H](C)CC 1793402382 JGDYEABAXVPFMP-UIFYRBHJSA-N 451.564 0.900 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1795519139 XQSBUHWDLCQBAA-YYIAUSFCSA-N 491.593 0.036 30 20 JCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795969172 NEWJIXOBDXDGAY-HGKCTWBKSA-N 490.511 0.981 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798595945 YMCNGNTYPOSAQI-JLVBRIDZSA-N 459.528 0.801 30 20 JCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799196058 FBCXNYUBPHLQFI-XQPJFTJZSA-N 463.575 0.997 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC=O)NC(=O)OC(C)(C)C 1799295301 MMVIWESCQLPTJZ-NRUGXNMXSA-N 452.552 0.570 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799353481 PAEORWMOIOUTKQ-KYHPRHEASA-N 457.593 0.771 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(F)CC1)C2 1800981202 KMBPPTTXVIKLEJ-YVSFHVDLSA-N 498.552 0.884 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNCP(=O)(O)O)C3)cc1C#N 1801848821 KEZTVGMUTLKYKF-XEMDLRDOSA-N 480.458 0.273 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1803500862 ABOCFOBVXPKMQN-WHRWUAKBSA-N 477.587 0.274 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810288131 IITPGTHEWMRPQA-FHZNTISVSA-N 452.515 0.484 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)c2n[nH]c3ccc(C#N)cc23)[C@H]1c1cccnc1)C(=O)C(=O)O 1812072102 ZHJPJGBWXMXKHY-IIBYNOLFSA-N 489.492 0.692 30 20 JCED Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)c(=O)nc1O 1814041512 VFCUGCWLBNGSEQ-OLSSBIMVSA-N 481.557 0.830 30 20 JCED N#CC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CC3)CC1 1814478883 BYUBMLCMZHCLQH-FPMFFAJLSA-N 488.595 0.539 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815069725 ITAYASAKALVCBG-YDHLFZDLSA-N 492.602 0.565 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](O)N2CCOCC2)CC3)ccc1F 1822964951 OWMXNDCJVBFZAD-BTYIYWSLSA-N 473.530 0.959 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)N1 1825074234 KHVRDEOSYSTSIW-LKCBVMOJSA-N 463.535 0.733 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ncn(C)n3)C2)C1 1828581122 ZPBBDLISTQYQDW-UQBPGWFLSA-N 494.552 0.919 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1828595640 UZSLAMCDTIUBGZ-UZUQRXQVSA-N 455.515 0.864 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828974568 PGVRAJHWOKEIFN-BTYIYWSLSA-N 462.576 0.240 30 20 JCED CN1CCC(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)CC1 1829330971 VPACVPCUQHQZFD-AREMUKBSSA-N 496.564 0.868 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628620 QYDYYEFDQOZFNF-UUOWRZLLSA-N 456.543 0.862 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=C)Oc3ccccc3O)C2)C1 1829765955 BGLUICIUIPECCS-HMLKYZKVSA-N 471.510 0.600 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829906112 USNFRRAMSCZHAF-RDPSFJRHSA-N 488.541 0.400 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)n1ccnn1 1830463368 ZPDACTPELFMCDQ-JPYJTQIMSA-N 452.515 0.800 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1830779734 UAVJKYTWVLWBJD-FDDCHVKYSA-N 490.582 0.422 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831466010 KKAKGQBTZDWCNH-DEOSSOPVSA-N 456.543 0.862 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)N4CCCC4)CCO3)C2)c(C#N)c1 1832425014 ZCKYDDBZCSGAGV-SANMLTNESA-N 498.580 0.968 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832531862 VEELZEJWRSWWKG-DEOSSOPVSA-N 468.510 0.679 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)CC1 1833077385 VUWRXQMUCKXITE-OOFWQKGWSA-N 468.602 0.945 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)c1 1833236171 FDOLKHAISYYCAS-QFIPXVFZSA-N 468.602 0.655 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccn4c(O)nnc34)CC2)CC1 1833465432 GUDYXNRXBWUFSW-INIZCTEOSA-N 454.531 0.658 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833572518 MDUDJEPQNPQCKC-MGPUTAFESA-N 453.471 0.653 30 20 JCED CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cc1C(=O)O 1833608120 HAZFVHTUSLVOMK-AVWDHSPOSA-N 487.513 0.944 30 20 JCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(F)c1 1833631482 UTDRPBJLIVQQLE-QFIPXVFZSA-N 463.510 0.581 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1834715895 RWUNDTYGSUEJRN-UHFFFAOYSA-N 494.687 0.700 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834768717 LMZLGJZOUSGFJP-KBVWPGPTSA-N 492.573 0.628 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)cc1C#N 1835641239 FVKKFTKYNZUOHR-XMMPIXPASA-N 484.557 0.255 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1836859522 LXYRFHJUQUUUJO-DAYGRLMNSA-N 464.588 0.826 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CO3)CCO2 1836992002 DGHGPNPQMIFDOP-DEOSSOPVSA-N 487.509 0.597 30 20 JCED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c2cccnc21 1837186951 WBQUCTXUZPSLSB-XMMPIXPASA-N 468.558 0.925 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1837393198 NLYWYXUYTUDNAJ-FQRUVTKNSA-N 499.564 0.702 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1837399611 XTCJICKCNJLQQS-UUOWRZLLSA-N 476.574 0.316 30 20 JCED CC(C)c1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)no1 1837524457 HZEDPOAPHIYQFE-IFXSCVBMSA-N 479.534 0.721 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524565 JSVBSMRWTOPCJG-CMQXEDBBSA-N 465.507 0.028 30 20 JCED Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837524602 JZLCRGSNSCNWMY-LQCQBLIGSA-N 460.531 0.918 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837530873 SFLMMEXRICESIX-JPWLMNFISA-N 490.492 0.467 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531424 MLOUKTMVODRUEW-IZBUAYHCSA-N 476.534 0.262 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838766042 QCOBXYKRNNWSGI-WBOUNHBKSA-N 490.439 0.423 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839187259 SDRCIMKLIOZRQK-ICACTRECSA-N 465.547 0.855 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)c(Cl)c1 1839423296 RRWDYVRDSIQCLJ-HSZRJFAPSA-N 498.927 0.535 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424149 QFKFPBNLOZDUEX-NYHFZMIOSA-N 460.918 0.972 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)c5ccco5)C4)C3)c2c1 1839486291 RROGDIITSLUGER-REWPJTCUSA-N 465.466 0.831 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5nc6ccccn6n5)C4)C3)c2c1 1839487550 BAECSPZGIUNRAI-DEOSSOPVSA-N 486.492 0.861 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839667700 CRPCQSBCSBLTDF-YZZKKUAISA-N 475.546 0.457 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840142591 SXZIUYODBGCRSS-BMZXHMDVSA-N 476.574 0.670 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1840175442 QVJXAGXKCYLHRW-SBUREZEXSA-N 460.531 0.655 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)n1cnnn1 1840473891 ZLBYEPZDDJHSOH-VGOFRKELSA-N 453.503 0.195 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)s1 1840819219 WSZGOZPGTRPYMN-JOCHJYFZSA-N 471.539 0.796 30 20 JCED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CC1 1840820135 APTQENAGNKFURA-JOCHJYFZSA-N 457.483 0.347 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840906627 GISZEJWPAGFPCK-YADARESESA-N 488.541 0.307 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)CC[C@H](N)C(N)=O)C2)CC1 1842946362 CTPQAMLZVSKLDS-INIZCTEOSA-N 476.578 0.323 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CNC(=O)C1)C2 1844215540 RQDBJHWASLBLHX-HZPDHXFCSA-N 493.561 0.131 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)CN(CCO)CCO)C2)CC1 1846034318 FDNFRTGYEXKRHW-UHFFFAOYSA-N 493.605 0.017 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1847068816 GPAFKUWFXZTTDI-HZPDHXFCSA-N 470.592 0.434 30 20 JCED CCCCn1c(N)c(N(C(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)C2CCCC2)c(=O)[nH]c1=O 10855342 WICNUOKGIMIYOF-UHFFFAOYSA-N 471.518 0.110 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(SC)c(OC)c3)c(=O)n2C)CC1 410092911 DSIBNKCCFLIWLD-UHFFFAOYSA-N 458.609 0.844 30 20 JCED N#Cc1ccc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)CC2)nc1 498814546 AQDPMGKNERJKSK-UHFFFAOYSA-N 472.546 0.747 30 20 JCED Cn1c(=O)nc(O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cnc21 514381270 FRCUMNZZASMDGZ-UHFFFAOYSA-N 454.468 0.052 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCCCO3)c1=O 515692893 BKWSQEJOCJFPOV-UHFFFAOYSA-N 453.520 0.619 30 20 JCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 518035533 PJGZKGMKUVIWMB-LZQZEXGQSA-N 458.540 0.955 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(-c2ccc(C(N)=O)cc2)c1=O 522537372 GMMGOEKLGHCLIJ-UHFFFAOYSA-N 499.508 0.846 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O 524282815 MNBSITXPXKPPFK-UHFFFAOYSA-N 480.546 0.701 30 20 JCED COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3cc(S(=O)(=O)N(C)C)ccc3=O)CC2)cc1 583284236 UEJKLUZOKSNZBV-HXUWFJFHSA-N 473.555 0.516 30 20 JCED COc1ccc(C(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OC 603450433 HNGMLGGEOYOXHN-UHFFFAOYSA-N 472.523 0.838 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CC1 603592475 WNJZUSHBRYWYSC-UHFFFAOYSA-N 472.483 0.328 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCN(C[C@@H]3CCCO3)CC2)CC1 603848865 YSONJWAZMKMSDK-NRFANRHFSA-N 475.615 0.578 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 608843049 HPLVLJDCZDFWOC-UHFFFAOYSA-N 479.545 0.784 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 609220186 MFNIHZNHVPDOCO-UHFFFAOYSA-N 466.563 0.493 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)c1 726159732 QAHFMOXNTUEWAP-PGMHBOJBSA-N 454.534 0.372 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1cnn(CC)c1 726180484 MAXICVDDYIZVHH-UHFFFAOYSA-N 453.572 0.885 30 20 JCED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)C1=O 727012062 FDXCEGDTHVJCRG-QHCPKHFHSA-N 463.450 0.720 30 20 JCED CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 730897651 MFVHZYVVGWVXPY-LYBHJNIJSA-N 478.575 0.702 30 20 JCED N#Cc1cccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 746567589 WLUDRXMIFGPYGT-UHFFFAOYSA-N 456.480 0.152 30 20 JCED C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 811679853 GTMXPYAAJZPVOC-RBZFPXEDSA-N 450.517 0.407 30 20 JCED CNS(=O)(=O)c1ccc(-c2ccc(C=NNC(=S)NCCN3CCOCC3)o2)cc1 812389279 RFOPBWGUUDVWBT-UHFFFAOYSA-N 451.574 0.985 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(OC(F)F)c2)c1=O 838222522 UERWWCMDNWJZJU-UHFFFAOYSA-N 465.478 0.948 30 20 JCED CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 913300702 UMMHMXMBPORYPY-GDBMZVCRSA-N 471.557 0.194 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCS(=O)(=O)C1 1298133030 JUAOEMJBOQZHLR-SJLPKXTDSA-N 478.600 0.722 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CC(=O)NCC(F)F 1305123730 YKLRHAYGVAKNPY-KGLIPLIRSA-N 461.477 0.540 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1316336372 QDPCQHFIDAAWIU-HXUWFJFHSA-N 462.507 0.649 30 20 JCED CCCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1501183393 VSSYNDDHYHKOHV-MRXNPFEDSA-N 474.591 0.613 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@H]1C 1507785447 OGBPNIUUUIAJRR-UKRRQHHQSA-N 491.412 0.577 30 20 JCED C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1541942138 XWHMTNFQNDZYMX-JKSUJKDBSA-N 461.596 0.432 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1547782388 VYDFTPIKPDXISN-GHTZIAJQSA-N 459.576 0.401 30 20 JCED CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1554394746 JVLRTTCCUVPFMN-SFHVURJKSA-N 482.589 0.711 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(N2CCOCC2)CCSC1 1741920032 WXLIAZBNNIZOQP-OXJNMPFZSA-N 483.664 0.836 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC(=O)N1C 1763177203 BXLPYCPOHUDCFF-HNNXBMFYSA-N 461.548 0.287 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778259020 USMBJMVPAHCTMY-DVECYGJZSA-N 479.622 0.533 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc3nc(CO)[nH]c3c1)CCO2 1779017306 LGRNLAWUNRADNA-UUVZMSSXSA-N 454.531 0.970 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)cc1 1780699021 PPULBHCBFXJMSR-QHCPKHFHSA-N 465.535 0.907 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780940121 WBMCMWVCGBEZTO-DEOSSOPVSA-N 495.561 0.672 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)N(C(=O)OC(C)(C)C)C1 1781050284 VQUMIPQPHGGZJL-DWKCODDLSA-N 464.563 0.105 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782006432 PVABQSPPYWVYSY-BCMGTOKDSA-N 475.542 0.988 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782727850 RLKSASNNOXYZDW-PKZHZFTJSA-N 453.543 0.072 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1782847668 ALGFPRMYRXFZJJ-IMBIJNKNSA-N 499.568 0.311 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1783478698 PFBUHVMKYXDMPP-FRMKIJSPSA-N 471.620 0.902 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C[C@@H]21 1783531528 VSDVZFNQMUPTOH-INRAJLMNSA-N 486.544 0.782 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCNC(=O)OC(C)(C)C)C[C@@H]21 1784484783 BRCYQRAHKCGCKL-VJANTYMQSA-N 467.563 0.546 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cscn1)CCO2 1785378556 JSENTFFYFOTCNA-PGRDOPGGSA-N 455.540 0.793 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1785575063 XSZWFBMUKIFXKN-NTKDMRAZSA-N 478.590 0.455 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1788095654 SVZJOJCOADOKCF-AVEIZBFRSA-N 450.536 0.498 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1792256712 IJCNJBMAIUEXLT-RMRDIRSESA-N 476.530 0.677 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1792256777 LJGLNLZTXYAJGH-NXOAAHMSSA-N 489.577 0.216 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1792258419 CSYVKVUMKIYXNE-SPOLIRPYSA-N 476.574 0.409 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)C(F)(F)F)C3)cc1 1792426002 GWBKGNOCIILQIP-HGKCTWBKSA-N 452.433 0.759 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1793349860 OHWBMAJQIHDFSK-UYTYNIKBSA-N 481.546 0.071 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1793387885 SURXLLRXEZZJMF-HTPGKPQGSA-N 471.620 0.901 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCNC3=O)c1 1794974600 SZJXREMLZPUJAX-CWPLJXCYSA-N 464.482 0.024 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)ccc1Br 1795441751 UMYHBGRMSLSVEB-XEMDLRDOSA-N 477.359 0.856 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC[C@@H](N)C(N)=O)c(C(F)(F)F)n1 1796080051 GBGUVYZKHMXIEP-QVHKTLOISA-N 452.437 0.817 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1797711190 HFBYEEPLELNZEW-ZMJPVWNMSA-N 488.326 0.791 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2)c1ccccc1 1797876766 BVDVLJAOPGVCPV-BFRACDOUSA-N 455.555 0.924 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1cccc(Br)c1 1799099478 YLMGFWUKYUVJJD-UFIVBPFWSA-N 492.370 0.931 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(N3CCN(C)CC3)CC2)c(O)n1 1799193918 LXIAWIZAMQUYFF-HATOLVCRSA-N 483.613 0.889 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799196275 OQUYHBVLXNBOQF-RVDAZCDBSA-N 481.590 0.787 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CC)C2 1800983008 NTDPTMNQIHEHGM-ADHGMGHFSA-N 498.577 0.152 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C2 1802138481 IFGQXJTUCGPWHR-QKAMHHOWSA-N 478.590 0.960 30 20 JCED O=C(CN(CCO)CCO)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1812715269 ZZQHRTDBMLWARB-WIOPSUGQSA-N 450.539 0.426 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1819361340 VXQQLIGIHUWTPV-IRXDYDNUSA-N 467.592 0.705 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCN2C(=O)OCc1ccccc1 1828954059 KMKZUBDTZQRNRD-OAQYLSRUSA-N 493.457 0.077 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831142975 JIOFIKZLBGIYMK-DVECYGJZSA-N 457.527 0.253 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1831391811 WLZKQFZRPPOEJO-MBSDFSHPSA-N 453.499 0.376 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1831393679 ZUEQLQFMXQYZRW-KSFYIVLOSA-N 474.539 0.173 30 20 JCED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1=O 1831887367 AZFXEJYHBLDSKU-DEOSSOPVSA-N 457.527 0.154 30 20 JCED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)no1 1832920717 DLNUYGOPGXZZOO-HSZRJFAPSA-N 453.499 0.881 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cn[nH]c4)CCO3)C2)c(C#N)c1 1832945130 WULBYBAGSDWCMN-XMMPIXPASA-N 467.526 0.922 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(C)cn1)CCO2 1832987951 WAMBDDFALCLJHY-FFYIOULGSA-N 456.543 0.637 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1 1833107285 PAVVWZWGHDGXHG-QFIPXVFZSA-N 471.558 0.737 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833653779 YKWHUXIQFPWMSP-XMMPIXPASA-N 481.557 0.619 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCOCC2)CCO3)c1 1835393049 PDEAVPMMJRXIQW-XMMPIXPASA-N 456.543 0.279 30 20 JCED COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1F 1835673308 ZVTYLJVVIZQQOH-JOCHJYFZSA-N 463.510 0.581 30 20 JCED Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)/C=N/N4CCCCC4)CC3)CC2)c(=O)nc1O 1835733190 RMMLDKRBAWPUPR-MFKUBSTISA-N 487.605 0.301 30 20 JCED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn1 1835988318 OIFIGKPSVWAQMD-DEOSSOPVSA-N 477.525 0.871 30 20 JCED CN1CCN(CCC(=O)N2CCC(N3CCC(NC(=O)c4cc(C#N)c[nH]4)CC3)CC2)CC1 1836169714 QVVPPFUCVDPNPB-UHFFFAOYSA-N 455.607 0.709 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(cnn3C)c1OCC)CCO2 1836378633 ROAJKPQBKFYVAP-QHCPKHFHSA-N 455.515 0.850 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837384557 BJVIEUHULTZTBX-HXOBKFHXSA-N 457.531 0.644 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1837400388 DKWXKHVEIVKOHY-WMZHIEFXSA-N 493.513 0.952 30 20 JCED Nc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)sc2nccnc12 1837442117 PHFYGVAVRVSSST-SHIRAINQSA-N 487.586 0.815 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2)NCc1ccco1 1837443515 FBAPYUTVSNOAMP-RFWISFFQSA-N 487.557 0.380 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)s1 1837489749 SWQRMDLZHLUCIN-QFIPXVFZSA-N 462.572 0.544 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837491078 UNEZZFXHWDOSPY-IOCYEQIYSA-N 460.575 0.613 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1837527614 QVLUBEBZBHEZCV-COMOFLLJSA-N 464.494 0.749 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530198 JVTZXIVFVWJIEJ-DUQABTKISA-N 468.595 0.950 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1)c1ccccc1 1837614110 KYNTXLCHECPNFA-FXSPECFOSA-N 485.581 0.791 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)CCO2)C1 1838443425 OOBPZFIMUGJMQX-WNSKOXEYSA-N 485.566 0.885 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc(C)[nH]n4)C3)C2)c1 1838582213 GMZJWBALPYZDNE-QHCPKHFHSA-N 453.499 0.911 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1839130790 UQBPLRUWQDFKTD-GLDPYIMESA-N 480.606 0.734 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(OCF)cn4)C3)C2)c(C#N)c1 1839131572 LNCZQWTYMPJBAG-XMMPIXPASA-N 499.499 0.975 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185625 GLUROHQJQWSBMG-AOMKIAJQSA-N 481.546 0.377 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185627 GLUROHQJQWSBMG-OPAMFIHVSA-N 481.546 0.377 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839273408 MPSHWGUGACBUBG-JOCHJYFZSA-N 475.502 0.652 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839351150 SLBCJEAVYMGVAG-LDVHSUHUSA-N 474.514 0.385 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)cc1 1839361891 MAAMWJHZHBPZJJ-XMMPIXPASA-N 476.493 0.885 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)c1 1839420481 LUBDSOMIMYJVSY-JOCHJYFZSA-N 456.430 0.887 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)nc2ccc(Cl)cn12 1839604070 SAKFSUKICLXFSB-NRFANRHFSA-N 460.874 0.454 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCCCNC(C)=O)NC(=O)c3ccccc3)C2)C1 1839810342 RUEXKKHGPUKJEE-GJZUVCINSA-N 498.580 0.181 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1839874352 CGTUUZGWBFAPPA-NXMSCROESA-N 494.589 0.438 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1839887467 DEWBPQDOXUVYKK-VBHSOAQHSA-N 460.503 0.457 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840077805 MIYWIZXGPBOFST-DEOSSOPVSA-N 475.542 0.698 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1840108161 ACKFINSSIQOJOR-JKSBSHDWSA-N 468.551 0.047 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CCO3)C1 1840218449 GVJBYUSUVJLQNC-ZEQRLZLVSA-N 479.574 0.781 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nc1 1840813181 KBIFSMQJBXFXFT-NRFANRHFSA-N 462.528 0.249 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840857228 NFOJOEGDVLTGFU-YKSBVNFPSA-N 472.517 0.633 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840905707 JQAGVNDGNQXAIQ-VWLOTQADSA-N 487.553 0.691 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1840912714 MOZRCAHYOMVMOX-GAZXMLTASA-N 479.574 0.949 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1845132660 OURZPYKVPBNAPU-LJQANCHMSA-N 480.606 0.173 30 20 JCED COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc1C 409954152 ZVZFHMLCBNNHSZ-KRWDZBQOSA-N 485.562 0.414 30 20 JCED N#CCN(CC#N)C(=O)Cn1cc(I)c(=O)c(I)c1 502443967 GZQZIMNCONHGSU-UHFFFAOYSA-N 482.019 0.933 30 20 JCED N#Cc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 505617167 DAUXFENMMQWLCO-UHFFFAOYSA-N 453.524 0.641 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H](C)c1ccccc1 515658736 OQERZZGCMOREIP-HZPDHXFCSA-N 451.552 0.907 30 20 JCED C=CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1 517832172 XFCNHFKHEFIRTE-CALCHBBNSA-N 466.560 0.688 30 20 JCED C[C@@H]1CN(C[C@@H]2CCCN2CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 520044273 DYHJQSOAMCVFEK-SJBKTWHCSA-N 489.642 0.965 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 523256324 CFSRFNIAUGRNOO-UHFFFAOYSA-N 499.530 0.233 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2C)c1=O 590995179 RKJPRVOSYAAIGJ-UHFFFAOYSA-N 486.663 0.923 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604118378 IZFYTQCFYZLFQS-UHFFFAOYSA-N 491.591 0.294 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)cc2Cl)c1=O 604269980 LHOSHTCGAYKRLH-UHFFFAOYSA-N 495.388 0.667 30 20 JCED CCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C(=O)C1=O 609155052 HGJCMIXVLMJEDL-KRWDZBQOSA-N 462.348 0.849 30 20 JCED N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 609440856 JFJAZOFINHRGQO-UHFFFAOYSA-N 469.479 0.361 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726576754 ASTAHHMHKFYQJF-UHFFFAOYSA-N 485.591 0.457 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CCC(N)=O)C2)cc1 727231396 KPOBGGHWNULXTK-ZLVLUESYSA-N 463.560 0.942 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(F)cc2F)c1=O 729671935 XRUVKZWMWRTDKQ-UHFFFAOYSA-N 467.519 0.358 30 20 JCED C=CCOCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 729758528 NOTHPAVIVZIBLF-UHFFFAOYSA-N 467.544 0.992 30 20 JCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 742734237 YCFGSFJROSJFKF-DLBZAZTESA-N 479.555 0.946 30 20 JCED Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)n([C@@H]2CCS(=O)(=O)C2)n1 750821857 TZCHEYASKUJKQJ-IERDGZPVSA-N 470.511 0.829 30 20 JCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)c2)CC1 915777991 QVDLMSLIVSOWGB-UHFFFAOYSA-N 485.570 0.446 30 20 JCED CN(C)C(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918300089 WUEMQTMGGMFOFC-NKFKGCMQSA-N 463.560 0.765 30 20 JCED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1294882369 WLMBPNVAFSRTMN-UHFFFAOYSA-N 452.563 0.990 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1499329386 QIJYNHLVGRATGO-GOSISDBHSA-N 453.503 0.302 30 20 JCED COCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1555303110 STFAPVDKNTVUDR-JKSUJKDBSA-N 454.553 0.156 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCN(C)C1 1609509689 WBTJBTCYBHWWQP-AUSIDOKSSA-N 453.547 0.932 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1617573955 NFRQSEVUARPURN-LLGFUMIMSA-N 481.598 0.565 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1642089844 XSCGKXLHBCPREI-PXNSSMCTSA-N 451.568 0.796 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 1648445642 WWZUIYSNGGOPSI-QINHECLXSA-N 458.581 0.746 30 20 JCED CC(C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1706632140 PKSGTNVLFPEKDN-UHFFFAOYSA-N 453.551 0.924 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC(=O)NC(C)C)CC2)c1C#N 1707808056 YBMIDNYCYORAEE-UHFFFAOYSA-N 456.555 0.181 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN2CCCO)CC1 1751278744 LKBUVYFVOZUSFB-RBUKOAKNSA-N 495.650 0.588 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1766686977 IIEMBMXAAKANAB-UHFFFAOYSA-N 453.528 0.908 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1770685817 OWRXWCKPTBPUKA-UHFFFAOYSA-N 475.575 0.440 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1777997979 LECMXWBKFKZBHL-SEPYTNNBSA-N 479.530 0.224 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1778082890 ZDWUNYWHRWONFV-LFALDJFMSA-N 479.574 0.473 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1778116970 JPCNWYOJCVTAFZ-HSZRJFAPSA-N 481.615 0.187 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c2ccccc21 1778168441 ZGYZFKLGODDOBQ-KOPXRMFVSA-N 485.541 0.699 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1778969513 NTDHOVRHGDZWSP-MNFWLRKXSA-N 481.590 0.760 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779020462 OWZNIPIVLUIOOT-DGEAWOGYSA-N 458.563 0.588 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(N5CCOCC5)cn4)CCO3)C2)c1 1780332275 RLERSSWYXNRMGB-HSZRJFAPSA-N 450.499 0.875 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c(C#N)c1 1781175935 UKDUHPZPXCLLEW-HSZRJFAPSA-N 451.483 0.808 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)c(C#N)c1 1781176214 IJBXQBKXIQHDAF-XZOQPEGZSA-N 459.499 0.555 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1)c1ccc(O)cc1 1781542556 MQHYPYXGHHXSJY-JDRJUVJTSA-N 499.564 0.946 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C3)C2)c(C#N)c1 1781860415 HVYRMQVGMPXATC-HYBUGGRVSA-N 488.541 0.782 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CCN5CCOC5=O)CCO4)C3)c2c1 1782194516 CKODWSUVYVAYAU-JOCHJYFZSA-N 452.471 0.720 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)=NO2)C1 1783429626 PNIHSFYWXWMKKG-VXKWHMMOSA-N 461.519 0.886 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4c(F)cccc4n3)C[C@@H]21 1783530552 DOJJOWUQTMHURB-LZPLBESISA-N 455.490 0.925 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C(=O)OCC)C2)C1 1783663823 OPUDAOSJXGAABQ-QZMQVMSPSA-N 463.531 0.496 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783835639 KLUPVGYKTHMKGX-FDDCHVKYSA-N 497.614 0.558 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)CCO2 1783901461 QCSZBTHDDSBTKW-CALQCPNCSA-N 455.577 0.913 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2)c1ccc(O)cc1 1784015209 WRFAJRNRKKKCTJ-CYFREDJKSA-N 453.543 0.559 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)cc1C#N 1785193617 CLEPRZBUJWTJSQ-HXOBKFHXSA-N 469.498 0.387 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1785598579 UPAJSZOOQDTWCS-SMGXNKOPSA-N 476.574 0.812 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(N)=O)C[C@@H]32)c(C(F)(F)F)n1 1787197982 KEDAXMLPNXVJTA-CQDKDKBSSA-N 453.421 0.831 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789708219 NXCSWSQWADXIHQ-SZMVWBNQSA-N 490.582 0.381 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)C(=O)N4)C[C@@H]21 1791076426 CRGGGXGHBMBMKW-JBIZMDSKSA-N 495.532 0.830 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)cc1 1792426528 QCEUMNIRUCVSOX-UPHUGPLXSA-N 472.592 0.941 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1793340167 OCWBVFPOEAINJB-HIAXNASMSA-N 499.630 0.276 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1793823414 MPYIWTXVICXLTC-KMOPNRPKSA-N 469.604 0.723 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OC)cn1 1794952578 BVXFSTOGFXCOEM-RCJHGTSTSA-N 473.530 0.605 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)n(-c2cccc(=O)n2CC)n1 1795935458 ZJVVZNABFNSMDN-CROMWVBPSA-N 481.553 0.604 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011970 FQUODAWLDRWVMW-CLDHMQMKSA-N 490.517 0.991 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)C1 1799153290 XKZMOJMJKINNTE-JWXAEQQXSA-N 474.558 0.904 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(S(C)(=O)=O)ccc1F)C2 1799306068 HNQAULWCRITAFL-YVWYUNDQSA-N 482.530 0.942 30 20 JCED CC(=O)NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1801445154 HPWXDKINCGLQAS-CIAFKFPVSA-N 496.564 0.818 30 20 JCED COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)COc3ccccc3C#N)(C1)C2 1801994508 NUBUULHPMOCCJW-IQSLYQAOSA-N 453.495 0.870 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C2=NN(C)C(=O)CC2)[C@@H]1c1cccnc1 1804114047 DBGZUVJUPBEUGI-IVCZUFTGSA-N 452.515 0.554 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1804417009 XHGHXFRPANPDEQ-FQPQFMITSA-N 467.486 0.751 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(-n4c(O)nnc4O)cc3)sc2C1 1821418394 BMKZNEOKLNAULS-LLVKDONJSA-N 468.451 0.449 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC3)c(C#N)c1 1822808200 XAIHCSNAVKXCEZ-HOCLYGCPSA-N 470.555 0.771 30 20 JCED O=C1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCN3C(=O)OCc3ccccc3)C2)CN1 1828575495 LPXBZNTXHGFZSL-HFZDXXHNSA-N 478.549 0.988 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1829267440 PKFHKCREPOVDDG-JPYJTQIMSA-N 450.499 0.924 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1829634321 JXZAVTPXELNXLP-QFQXNSOFSA-N 483.613 0.583 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1829766084 KRGWOJSABAPMHI-YLNCNTMDSA-N 458.515 0.482 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1830054277 JQCJVXAIIWPAFI-OAQYLSRUSA-N 464.544 0.246 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1830059686 IYKCKSGJGOOBGU-HSZRJFAPSA-N 459.499 0.455 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnc3ccccn13)CCO2 1830661156 CNNLAFFWERVYLM-RIEGPKOLSA-N 485.541 0.862 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CC(=O)CN2C(=O)OC(C)(C)C)CCO3)C1 1830886074 QWDJYBZLHDBFAE-YADARESESA-N 477.558 0.988 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3CNc4ccccc4O3)C2)C1 1831397428 YAPMAPWNGBUYOL-IECBHUPTSA-N 457.527 0.744 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1831402486 IMDVHQXRXNZHDE-GLDPYIMESA-N 457.527 0.300 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1831413405 WRWREJRDCTYSGD-XMMPIXPASA-N 475.590 0.771 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1831485233 SERIDOHHWKQAFL-GHTZIAJQSA-N 450.561 0.222 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1832000258 JPBJCRQHDPVDLC-IUKKYPGJSA-N 467.563 0.949 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)ccc1F 1832729423 DGUBZFSQXKOWCK-RUZDIDTESA-N 495.511 0.521 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(-c4cccc(F)c4)n3)CCO2)C1 1833351670 PFTVCZBHQXDEKA-XMMPIXPASA-N 499.547 0.758 30 20 JCED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1833490071 DIHFOYJVNXQZHW-QGZVFWFLSA-N 450.542 0.237 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1834109908 XWGLEZBMRUVECB-AOMKIAJQSA-N 461.519 0.396 30 20 JCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1835682911 YALHZTYFAMLFOB-IECBHUPTSA-N 478.590 0.704 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1)N1CCN(C)CC1 1835753228 FBDGWKXQWVIVCF-QFIPXVFZSA-N 487.689 0.893 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1)c1ccccc1 1836146836 CLAZHKUNLQVYCW-OFNKIYASSA-N 452.515 0.327 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CN(Cc5ccccc5)CCO4)CCO3)C2)CC1 1836685908 WRLNZIKIHNHVMZ-OFVILXPXSA-N 468.554 0.648 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CC2)CC1 1836860636 VDHFHLPJRBYUCG-QGZVFWFLSA-N 469.542 0.982 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837047239 ZYRSWFRLXDFRKK-KRWDZBQOSA-N 450.536 0.110 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837380183 HVJDZQWERSXKTL-XDHUDOTRSA-N 487.557 0.273 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447934 YNOYXEDKYPFMPE-HQGJICSSSA-N 459.547 0.777 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837493583 LRBQKXXYYKWUGA-DEOSSOPVSA-N 458.559 0.818 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)(C1)C2 1837531161 YAEBMRFVARSUJP-VJXARLEMSA-N 479.530 0.315 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncsc3[nH]1)CCO2 1837747048 QYFZHMJGMBEPAS-YOXWTLATSA-N 459.528 0.553 30 20 JCED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)CN(CCO)CCO)CC3)CC2)c1 1838580233 TWQAIUOYPAKRQU-UHFFFAOYSA-N 458.559 0.457 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c(C)noc4N)C3)C2)c1 1838581743 LZOYGMCERWEYLU-QFIPXVFZSA-N 455.471 0.829 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C)[nH]n2)CCO3)c(C#N)c1 1838662882 MGUGOWVRZJBNHO-QHCPKHFHSA-N 453.499 0.911 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)c21 1838738112 QTYCNCBEUBIYDN-HSZRJFAPSA-N 464.482 0.862 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838742927 RSDVEKLLBDVIOC-JOCHJYFZSA-N 461.519 0.871 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049128 KTZPXFMVGOEVMG-QHCPKHFHSA-N 471.514 0.238 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)[C@@H](O)C1 1839109684 QZTYJRFTUKKODY-LLJLJFOGSA-N 492.573 0.364 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5ncnn5c4)C3)C2)c(C#N)c1 1839132266 BDUCAMOXROLBOT-RUZDIDTESA-N 490.520 0.922 30 20 JCED COc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)ccc1[N+](=O)[O-] 1839137345 OGRDFPOCEZRWKK-QFIPXVFZSA-N 458.471 0.906 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138962 SOFTVXXCEKXJCS-AVRDEDQJSA-N 489.635 0.939 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1839173946 WUBARRLEWFMQJG-RDPSFJRHSA-N 458.511 0.956 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCC)nn3)C2)C1 1839175298 AEFAJVOHAJPQRY-JOCHJYFZSA-N 462.503 0.455 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1ccnn1 1839488614 BOMNJFBLBKCPTL-NYHFZMIOSA-N 464.486 0.357 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1839590464 PAJZMNSPIHROAK-IYZQMXKPSA-N 471.489 0.402 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)cc(OC)c4)C3)C2)CC1 1839761601 RGEHIEJGWGBVPD-QHCPKHFHSA-N 471.510 0.980 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)C2)C1 1839805212 FTYJCOTWLWRCCA-HXOBKFHXSA-N 463.531 0.245 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC=C)NC(=O)OCc3ccccc3)C2)C1 1839809666 FZGKKHXMRLIBBH-YKSBVNFPSA-N 455.511 0.947 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3OC[C@@H]4CCN(C(=O)OC(C)(C)C)C[C@H]34)C2)C1 1839810526 BPHJEHVKYWMJAS-AJGMTHFWSA-N 491.585 0.738 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1839844618 PCEBHPVXDWWXBE-IXFSTUDKSA-N 469.579 0.931 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)c1 1840106474 NBRSBYPSETVSFY-XMMPIXPASA-N 454.527 0.949 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1840157520 RQDHNFBFRHXQEC-WDUKFBBWSA-N 471.576 0.340 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1840205179 GMAMTEQERIWNTM-HYFFOGBASA-N 455.552 0.947 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1)c1ccc(O)cc1 1840220412 NNFPRWAZOGSKHO-SQJMNOBHSA-N 471.554 0.872 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(N5C(=O)C=CC5=O)cc4)CCO3)C2)c1 1840771580 GAGOIKMNXLITMW-VWLOTQADSA-N 489.488 0.700 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840799709 KSJXQYSNABIHSO-RUZDIDTESA-N 485.585 0.545 30 20 JCED CC(C)n1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1C(=O)O 1840813375 VVSMSHVKQSULGI-JOCHJYFZSA-N 459.503 0.926 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840853772 NTPYOVWFRWPVFQ-RDPSFJRHSA-N 463.575 0.446 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1840909576 WRIUKWIYLCKTFF-JTSKRJEESA-N 461.519 0.396 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(=O)N(C)C)C2 1844215503 NRGPBALQXIROFB-OAHLLOKOSA-N 481.550 0.084 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844298931 UGWJHQKSSDLOBA-HHSFNTRKSA-N 454.524 0.604 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1847068818 GPAFKUWFXZTTDI-JKSUJKDBSA-N 470.592 0.434 30 20 JCED Cc1c(C#N)c(NC(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n(-c2ccccc2)c1C 11149828 ZXAGDLUPQCVWJJ-UHFFFAOYSA-N 489.492 0.895 30 20 JCED CCCNC(=O)[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 60269626 ZVNXHZNPMYOMHN-IBGZPJMESA-N 461.588 0.629 30 20 JCED COc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cccs3)c2=O)c1 508298837 JRCSKQRYJYRNRQ-UHFFFAOYSA-N 496.614 0.921 30 20 JCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)c2)c1 514547514 ORZQQRWBOCEUTB-UHFFFAOYSA-N 457.508 0.867 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc2c(c1)CCC2 516828062 OWJITCKGXMNUQG-UHFFFAOYSA-N 490.585 0.932 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(OC)nc1 524275302 XBPJPCPFSMEMCX-UHFFFAOYSA-N 466.519 0.577 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c1=O 590897230 DWGUVLHSHOBNCF-HNNXBMFYSA-N 467.547 0.790 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(C)(C)CN(C)C 608912146 GHWSONVGMIGITE-UHFFFAOYSA-N 487.582 0.671 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCNS(C)(=O)=O 608912945 LORIOOQUDDPPLM-UHFFFAOYSA-N 483.015 0.532 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccs1 727815154 ZERIOMLDMZTICA-UHFFFAOYSA-N 457.581 0.603 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Cl)s2)c1=O 729671157 JJPATFMJZOUPMW-UHFFFAOYSA-N 457.986 0.451 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)c1 729673066 CWURLHREKSOWCH-UHFFFAOYSA-N 463.581 0.238 30 20 JCED CC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cc(C(N)=O)n(C)c1 767029300 NMYCJTGFLUQNCH-UHFFFAOYSA-N 450.477 0.889 30 20 JCED CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 769206067 OOVAZHARCMFOCT-CQSZACIVSA-N 451.501 0.570 30 20 JCED O=C(COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)NCC#Cc1cccc(C(F)(F)F)c1 853142219 QAABHTUGHSCONJ-INIZCTEOSA-N 499.467 0.882 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCNc1ncccc1C#N 915785260 XDRUPFHLPQCZJG-UHFFFAOYSA-N 488.526 0.150 30 20 JCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nc1 920922694 PTNIXMVYXPXYJM-UHFFFAOYSA-N 465.514 0.182 30 20 JCED CC[S@@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1552419794 WZDJDFLEGYJEQX-HYJWCJBQSA-N 493.659 0.851 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1611678261 DNLQKSPIOAQYST-CQSZACIVSA-N 458.610 0.986 30 20 JCED N#Cc1c(Br)cccc1S(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1660767310 QOYNFPYTZZZQOI-JTQLQIEISA-N 450.336 0.292 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-n2cccn2)cc1 1692801800 NGMFLFBSKGTLGT-CRAIPNDOSA-N 456.532 0.851 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1710989686 XBHUAUDPTSIRCH-UHFFFAOYSA-N 485.614 0.994 30 20 JCED COC(=O)N1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CC1 1729788577 VHOMZPVNKORSCA-RDJZCZTQSA-N 483.595 0.828 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749266821 LVWSAFZPMBZTMK-INIZCTEOSA-N 463.970 0.922 30 20 JCED CN1CC[C@](O)(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1767510652 VGLFTROLVIPIBP-LAUBAEHRSA-N 459.938 0.657 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]nnc3n1)CCO2 1778999543 HIBFLMGTUSCTPZ-NRFANRHFSA-N 471.594 0.307 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)NC(=O)c4cnccn4)C3)C2)c1 1779179577 GYEOXSZQJDIZLB-BXKMTCNYSA-N 462.510 0.919 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1779429000 SKWRWMBOVWFMOI-JFKCJUGQSA-N 471.576 0.607 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO3)c1 1780172562 PYECRAREVRPFSW-MBSDFSHPSA-N 474.514 0.853 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(Br)nc2)C1 1780519824 MJVMSBASEWWNRW-FOIQADDNSA-N 464.316 0.989 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1781166435 PAYZJLNFLSYMPY-IEGUWTFLSA-N 489.577 0.761 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)c5ccc(CC#N)cc5)C4)C3)CC2)CC1 1781791754 LYNQSSFJRKRCGB-DEOSSOPVSA-N 451.571 0.976 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccnc3C)C2)C1 1782781444 VNZOKFAGQOBTLK-JPYJTQIMSA-N 459.547 0.938 30 20 JCED Cn1ccc(N(CCC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)Cc2ccccc2)n1 1782802884 NJCGFQQFHYBYMU-VWLOTQADSA-N 479.537 0.735 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCN(c3cc(NC4CC4)ncn3)C1)CCO2 1783564878 BWTKFWWGLSZDFG-XDHUDOTRSA-N 482.541 0.185 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784381608 AYTRBAHHNUIEBV-UATPHRJKSA-N 453.539 0.559 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1784786416 XCHAEEAJMZHNRJ-XSLAGTTESA-N 462.551 0.727 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2 1785378801 QPSHOTNQMYAICI-QFIPXVFZSA-N 485.522 0.232 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1785572977 UNIVUKPROSIQPO-QMHKHESXSA-N 475.546 0.341 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1785574761 REDYIRZCBWBADO-VLIAUNLRSA-N 453.565 0.360 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1787511337 GBMFSJUAPGDFTP-UEHOMPQGSA-N 495.623 0.892 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/C(=O)c4cccs4)[C@H]3C2)c(=O)nc1O 1787513599 PQXZNZLYWWSFAN-QOSFWDOTSA-N 486.550 0.738 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc(F)c(C#N)c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n1c(=O)c2c(ncn2CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(CC#N)cc2)C3)n(C)c1=O 1794252986 YCKPDJSINAGBKN-REPLKXPHSA-N 489.536 0.452 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCNC2=N)C3)c(C(F)(F)F)n1 1795994875 ITVNLQDVWVMDKM-DRXBFXEBSA-N 465.436 0.015 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1797786212 RZCQLWNJHNHAQF-XAPVIXHLSA-N 457.483 0.185 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(C)=O)C2 1798358076 KNGGUAJNMAEYTJ-XMTFNYHQSA-N 495.577 0.566 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccnn1 1800271552 WDEWOZPRNQDBEM-JCECYMMASA-N 460.535 0.345 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1cncn1)C(C)(C)S 1801263240 MPKZOCNPKUPCCZ-CYGHRXIMSA-N 496.634 0.860 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801435587 RPEZSQBMGRWCKG-NQNKBUKLSA-N 463.539 0.293 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)cc1C#N 1801849068 LVJVBYQXZOMURV-UPHUGPLXSA-N 467.530 0.882 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O 1802040839 MVWKIIXYDCVMIB-ZGNLYJAISA-N 459.518 0.501 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2 1802128999 XHSBLEGIAOXJSX-IDLUEMFASA-N 489.525 0.923 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1803571193 PTGOJDKNRQLMGG-POAQFYNOSA-N 455.515 0.949 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1804428669 KSCBQJMZGILNMO-UUAJXVIYSA-N 450.536 0.432 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810292593 ZXMYFBJLUBHRBT-XPLROXEESA-N 458.563 0.210 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)CNC(N)=O)sc2C1 1828329029 FVBFKEZQTAJTGM-DGCLKSJQSA-N 464.548 0.640 30 20 JCED O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828948316 MZQFEUJVIUBJEX-IBGZPJMESA-N 481.557 0.745 30 20 JCED O=C1CN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=N/O[C@H]3CCCCO3)CC2)C(=O)N1 1828971343 XZNKAXBYMBCDGE-AVIJCEJMSA-N 463.535 0.687 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCN2C(=O)OCc1ccccc1 1829244722 QDUJFPNXBACNNE-DEOSSOPVSA-N 494.508 0.927 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C3)C2)C1 1829675222 RTUVMPALGZBVJL-GAJHUEQPSA-N 480.562 0.178 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c(O)cc3O)C2)C1 1829768721 GFSIXKFWYQBSPG-BNOLWBGWSA-N 479.917 0.680 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c(C)cccc34)C2)C1 1829771875 YRPXGYURLRJXRQ-IBLIISRWSA-N 467.526 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1829773427 ITVDNSLSYHBJSA-KSEXMQBYSA-N 480.562 0.216 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830575711 HYXVUSSZSNCKKE-MNRMEQJISA-N 467.563 0.683 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nnc(Br)n4c3)C2)C1 1831215592 PALUEZIFNVJPNA-NRFANRHFSA-N 488.342 0.975 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1831432993 DKXNBFBJPTYXEN-XMSQKQJNSA-N 452.548 0.967 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)N4CCCC4)CCO3)C2)c(C#N)c1 1832425013 ZCKYDDBZCSGAGV-AREMUKBSSA-N 498.580 0.968 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832749295 GVQRUEYTIMVKMN-VGSWGCGISA-N 460.556 0.857 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)CCN4C(=O)C=CC4=O)CC3)CC2)c1 1833614622 UISVKMOCYPFVPC-UHFFFAOYSA-N 452.515 0.387 30 20 JCED Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1F 1833706372 ZKVUVELTQXGWTA-HSZRJFAPSA-N 462.522 0.636 30 20 JCED Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1F 1833706373 ZKVUVELTQXGWTA-QHCPKHFHSA-N 462.522 0.636 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1835096969 MSSLJTFGYGZTOF-QHCPKHFHSA-N 454.458 0.904 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349545 JMBJUQKVHPBWIB-GBXCKJPGSA-N 472.517 0.633 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835363981 HWODCTNJZOXUQC-ZHRRBRCNSA-N 464.519 0.673 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)N4CCOCC4)CC3)CC2)c1 1835767050 YQXSZRBLCPZOJK-XMMPIXPASA-N 473.549 0.533 30 20 JCED COc1nccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1F 1836235466 HRXSKGVVWRBKPJ-QFIPXVFZSA-N 463.510 0.581 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1836470258 NCTPQVORUQCEAH-FYGKWSDDSA-N 490.513 0.452 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3Cc4ccccc4C3=O)CCO2)C1 1836593730 NHSINKMKHKZMBX-CLOONOSVSA-N 469.538 0.527 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836848012 GBHQAMJJRLBTFT-OXIXXVMCSA-N 472.502 0.328 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837159738 CHKLVNQTGJMQAN-XTVKVDEJSA-N 454.531 0.876 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)N1C[C@H]2C[C@H]2C1 1837287212 QMHRNKHIAMEXRG-KGALCJGCSA-N 464.563 0.312 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1837395987 ACLRNUVZSLUWKS-DFBJGRDBSA-N 484.553 0.577 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1837445385 WCYJZUWKGPYOBE-IGPUNGKJSA-N 488.570 0.298 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524739 LKJODCVXOBBGQV-HAXZGJKISA-N 463.491 0.084 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837767878 OVRUJQIUTWOTGW-YCRPNKLZSA-N 455.458 0.905 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)CCO2 1839074975 OFZMJYIRQYUPOL-PMAPCBKXSA-N 467.563 0.737 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839213859 DFYWLFFGRYQDOW-KYGQDUPUSA-N 461.540 0.564 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1839226723 VPJIORPMHQROAX-SZNDQCEHSA-N 451.476 0.674 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccnnc5O)C4)C3)c2c1 1839488462 TWSPLRJNMSXJON-JOCHJYFZSA-N 463.454 0.314 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840055346 PTEOSPNBFDWGJA-ZHRRBRCNSA-N 482.534 0.203 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840167103 XIWTVABRERUXNK-MWTRTKDXSA-N 458.515 0.253 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=COCC3)CCO2)C1 1840563170 FGDAQGAJQAVXCG-MBSDFSHPSA-N 463.531 0.664 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840571617 DAPCXCVFVMKVRR-YADARESESA-N 480.606 0.864 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840818597 KZESQWJEGUGWBN-HSZRJFAPSA-N 451.483 0.426 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1840906457 BZDCMJZQKPSXPY-JPYJTQIMSA-N 473.530 0.463 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](O)NC(=O)OCC)C2)N(C(=O)OC(C)(C)C)C1 1844160192 VBBLZAIQXNDTPT-JKSUJKDBSA-N 466.535 0.820 30 20 JCED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 480218452 VHLDADTXKCMBFD-ZWKOTPCHSA-N 497.573 0.658 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 503304027 QUQRZRLSKYZDMC-UHFFFAOYSA-N 471.539 0.537 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCc1ccccn1 523579786 GZRPJFGUCHRYDX-UHFFFAOYSA-N 452.511 0.952 30 20 JCED Cc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cs1 590912745 YWDDIMKJVVSRSR-UHFFFAOYSA-N 461.613 0.282 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828951 TVQUATLJFDNUMC-UHFFFAOYSA-N 482.587 0.635 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O 608911166 OGRGMEILYQITIT-UHFFFAOYSA-N 453.343 0.024 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(OC)nc1 726962721 ZJLKHMHLSPJBSM-HNNXBMFYSA-N 496.593 0.908 30 20 JCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(N)=O)c1=O 727161199 RLWXFYQRWGOYTO-UHFFFAOYSA-N 460.943 0.619 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)CC1 729257277 ZRSWWRJVHXOCGB-UHFFFAOYSA-N 465.480 0.976 30 20 JCED C#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 919959205 IVZQIJNUDQFUQO-OAQYLSRUSA-N 456.480 0.914 30 20 JCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C1CCN(c3ccc(C#N)cc3F)CC1)C2 1138250056 MKJSSYAVJCRUCJ-UHFFFAOYSA-N 455.494 0.403 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1314702390 YOVFUUGUOIBYJS-UHFFFAOYSA-N 472.571 0.937 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)ccc1F 1318345283 IMWHFYSQDSVVFD-UHFFFAOYSA-N 476.534 0.758 30 20 JCED CC(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359641403 NPLVYDXACUEKHV-IAGOWNOFSA-N 453.551 0.931 30 20 JCED CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 1502315938 WUCUTJZPCSDCJI-UGKGYDQZSA-N 496.616 0.706 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCOC1 1502728649 JEMYXYHAOATQMI-FRQCXROJSA-N 474.484 0.922 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cc(F)cc(F)c2)C1 1519564151 RBPMEMPPPBQXNL-ROUUACIJSA-N 482.513 0.861 30 20 JCED CN(CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1=NS(=O)(=O)c2ccccc21 1568504994 KRSZSDKUIVOXAY-SFHVURJKSA-N 451.508 0.856 30 20 JCED C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1596858539 XFWKJFGAQDRQOP-HNNXBMFYSA-N 486.527 0.987 30 20 JCED CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1618358987 PFDNPLGXWJATQF-UHFFFAOYSA-N 482.588 0.245 30 20 JCED Cc1ccc(C(=O)NCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1693015979 OUWRCSMTHGJLPS-IEBWSBKVSA-N 489.602 0.945 30 20 JCED CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1 1727106244 SMAGGLYTNGNEGL-KRWDZBQOSA-N 488.618 0.403 30 20 JCED N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)N2CCSCC2)C1 1731182521 NLWWFLWILWRSIM-GOSISDBHSA-N 471.584 0.221 30 20 JCED C=C(Br)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1749112860 QWIWDZLIEGSMAT-INIZCTEOSA-N 464.386 0.920 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1751206260 ROFXJAADBOIHRY-YVSFHVDLSA-N 481.602 0.973 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCO1 1761497863 NWZBGERYVJKLRP-WBVHZDCISA-N 460.564 0.661 30 20 JCED CCOC1CC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1767696156 MPYNABOVXMFAIA-ZZWQXLNQSA-N 482.607 0.671 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C=CCN2)C1 1777977793 VVZZVFDETQRXBC-IPRDPGLQSA-N 460.575 0.945 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1779099866 NXQKNGIEPMECQT-BHJOUFRFSA-N 456.503 0.790 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OCC)C1 1779203735 OSTSSUCYJCGEEQ-FQELHTAISA-N 455.508 0.074 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Br)c(O)cc3F)C2)C1 1780209034 LBECZDTWXGXBRQ-GOSISDBHSA-N 455.236 0.825 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCN(C)CC2)C3)c(C#N)c1 1780687371 WIHFBNBSRQHQFI-ZEQKJWHPSA-N 483.613 0.871 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1781400409 LQOIEKBTEHUAPD-BFUOFWGJSA-N 453.521 0.083 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1781400413 LQOIEKBTEHUAPD-ORAYPTAESA-N 453.521 0.083 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781970759 FMIFGKFDEZSERN-OXJNMPFZSA-N 450.879 0.720 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783164985 IUOIQHMOKJGSJM-HKARXFIJSA-N 464.563 0.812 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1783166564 HZIVPGIUGUFDGQ-YGKZAACZSA-N 464.563 0.812 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CC)NC(N)=O)C2 1783268403 JLGCJMHXOWFAMF-MNFWLRKXSA-N 493.605 0.864 30 20 JCED C[C@]1(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCN(C(=O)OCc2ccccc2)C1 1783671679 IJHFEVLICAXDJP-DQEYMECFSA-N 483.521 0.953 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C[C@@H]21 1784481960 ZXDZWNGBMHIIJN-BCYZHJNNSA-N 477.558 0.931 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C[C@@H]21 1784484326 UJEGUUIKEVVMEY-ZWMUSQMVSA-N 493.601 0.622 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1784785924 OZZIBAMBHYFQRJ-HAGHYFMRSA-N 480.606 0.768 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1785571996 GKWGZSNYHDSVTA-JTORVKOUSA-N 463.531 0.852 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1785578425 ZKIRXXYZGIGMEZ-ZHRRBRCNSA-N 481.619 0.217 30 20 JCED COC1(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)CN(C(=O)OC(C)(C)C)C1 1788122309 OITJLWORHWSGKW-ULQDDVLXSA-N 450.536 0.906 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1788576416 SLWGPNYNASRPCD-ODZAAPRTSA-N 495.617 0.911 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789914281 QAQDMVBRXOXLRR-FJIDUMEYSA-N 455.552 0.444 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3noc(C)n3)C[C@@H]21 1792262070 YEBJYXKZIYZGCQ-XSLAGTTESA-N 475.546 0.817 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)C1 1792452101 TZKDFZMYQYPKKY-GIFQPEHOSA-N 476.574 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCc3sccc3C1)C2 1792484180 GLPDBYKUZLIACX-GJBPQFSNSA-N 458.584 0.554 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(C)n(C)n1 1793132289 AZAHLTNQIKECCN-NZGUISNBSA-N 473.574 0.777 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1793599882 IVTVZJCWNKDHMM-OGJJZOIMSA-N 464.563 0.572 30 20 JCED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796446794 FNEWCGOFYJUJDT-YCUSNSCCSA-N 450.586 0.561 30 20 JCED CC(=O)Oc1cc(C)c(Br)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1798622218 KQVSUPIXIJFMPV-VTEUUUEMSA-N 493.310 0.974 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798691217 GZENVEDNIGMVQL-BOCLWZTGSA-N 465.510 0.269 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C#CC(=O)O)C2 1800778943 WYBKVBZSFQEPCD-YYXZMQKJSA-N 461.515 0.452 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2 1800801511 LBSOSLVKKURPLA-OGJJZOIMSA-N 498.577 0.833 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cccn1)C2 1802127679 WMBURZVOJUMGRE-QTMHVTGLSA-N 459.547 0.950 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1802392482 KTUNZTLLPDBDMG-JYFHCDHNSA-N 479.581 0.878 30 20 JCED C=CCSCC(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804194626 OMLDPKGFHAGUAR-NQIIRXRSSA-N 466.629 0.737 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1811526503 UDJZQDVWASYTBI-RAAWWHSXSA-N 450.451 0.946 30 20 JCED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1)C(F)(F)F 1817816611 IKTZSLXPZJWSEC-NSHDSACASA-N 451.369 0.960 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819892326 ZOYOPRBGEUQJQX-BFUOFWGJSA-N 452.533 0.215 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCN2C(=O)OCc1ccccc1 1828578939 FQNHAQORMUNEFX-JPYJTQIMSA-N 490.582 0.400 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1828922638 ONGQBCLPWKFLEC-KOSHJBKYSA-N 496.524 0.340 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1829267514 RCODTAWPYVJOJR-XXBNENTESA-N 473.551 0.649 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCNC3=N)C2)C1 1829342580 LUAZFWGIMZJYQQ-HXOBKFHXSA-N 488.614 0.597 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1829770587 ZIVYTPRPQOZMRM-XLQQFJOYSA-N 480.525 0.400 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)CCO2)C1 1830743299 BHXMAIRCNSDWLE-PMAPCBKXSA-N 467.563 0.642 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1831485054 MNKGWURRRKMRHV-UVQUFPMPSA-N 480.587 0.404 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)CCO2 1832004066 LUDZJJQIIOOSBN-XMODTWTHSA-N 499.605 0.962 30 20 JCED C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(F)(F)F 1832161019 SZVJZQFGSBQHIW-QUCCMNQESA-N 462.465 0.455 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(F)ccc1Br)CCO2 1832301490 HTSVVLPVILZVOC-HXUWFJFHSA-N 483.290 0.675 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832357050 LMPNGVPYPWMXIT-UJGPDUKDSA-N 486.569 0.946 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CC2)CC1 1833467725 XIPHOMCOSQICLB-QGZVFWFLSA-N 496.568 0.902 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=S)NCC)C3)C2)c(O)n1 1833700411 XGDDRJVXJJZUOG-HSZRJFAPSA-N 491.614 0.460 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CN4CC(=O)NC4=O)CC3)CC2)c(C#N)c1 1833712001 UFSOZVYRYZQRKI-UHFFFAOYSA-N 496.568 0.233 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)[C@H]1CCc2nc(O)nc(O)c2C1 1833833677 XUHWCBVAKOGCOR-KRWDZBQOSA-N 467.570 0.978 30 20 JCED CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)o1 1833902336 GJMJLMKNSVFUGN-RXQHMNIESA-N 465.507 0.340 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(S(C)(=O)=O)cn3)CC2)CC1 1833998006 MJHUOEBEYLAUOL-QGZVFWFLSA-N 476.599 0.709 30 20 JCED C=C(C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1)C(F)(F)F 1834328751 KRWZMPPDBFSZKQ-UHFFFAOYSA-N 468.480 0.930 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)COC)CCO2)C1)NC(=O)OC(C)(C)C 1834977377 HPPNVMPDWZFORP-VGSWGCGISA-N 455.552 0.949 30 20 JCED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1835741606 HGNDKABWILQHSY-INIZCTEOSA-N 454.641 0.843 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C)CCO2 1836761577 STTZPMNDPVOYMX-ZDQHKECQSA-N 493.601 0.984 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837155755 OYADBSQCHOQMMI-XXGSHBOYSA-N 453.499 0.263 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1837311749 NNOJJDQDNKNLOZ-LGVFNWMJSA-N 473.574 0.682 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)c4nncn4c3)CCO2)C1 1837367521 QNJKZYLBAINJFT-QVKFZJNVSA-N 461.906 0.491 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837443973 VHPSDHINTRECMT-XOBIUNJKSA-N 455.519 0.500 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1837445105 CZOVHXDMEGGABW-LKLDIADUSA-N 475.590 0.316 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837447419 NZFPDPHGHRFFEP-CFUMORPUSA-N 493.605 0.783 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1837842100 UYAAOEBCVJQHAM-PTFSYIGCSA-N 450.584 0.050 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OCCCO)cc3)CCO2)C1 1838545498 GGQVYTMFVUJUJX-DVECYGJZSA-N 460.527 0.556 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)nc5sccn45)C3)C2)c1 1838737868 BWDYZRLBRQTHAD-NRFANRHFSA-N 468.495 0.340 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838795627 AWCQYBDCQKAEJI-UJHCQMTCSA-N 498.540 0.866 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)nn1C 1838835523 MBQICXDMVJHBIK-JOCHJYFZSA-N 457.462 0.823 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1838908233 OVAPAXUDBLNBGY-JOCHJYFZSA-N 453.455 0.203 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2)C(=O)O 1839423779 WJJSYOHCTZCVIY-LAUBAEHRSA-N 464.906 0.344 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839637154 YKUAWBCGQCYQIH-KKBSVXDQSA-N 499.568 0.738 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839667697 CRPCQSBCSBLTDF-BSRJHKFKSA-N 475.546 0.457 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CCO2 1840111900 PFGFUMHOIRFNFI-OPAMFIHVSA-N 469.535 0.475 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840170791 ZKUQATWKATXEGS-DNQXCXABSA-N 479.574 0.618 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840180896 JGFSGPGUZNHJLP-PKTZIBPZSA-N 485.497 0.120 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Br)c(F)cc1F)CCO2 1840776105 WQZCQTABQNZPGB-IBGZPJMESA-N 487.253 0.885 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840783005 PJJIBOKMZIIXLA-AUSIDOKSSA-N 450.507 0.961 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@H]1CCCN(c3cc(NC4CC4)ncn3)C1)C2 1846196290 IDAFZXMXUQHTKJ-INIZCTEOSA-N 452.515 0.559 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)N(C(=O)OC(C)(C)C)C1 1846448979 ABYNGWCMMTYPMZ-INIZCTEOSA-N 483.529 0.800 30 20 JCED COCCCNC(=O)CN(C)CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 105227356 VSZWCLVDUZWYDD-UHFFFAOYSA-N 467.592 0.960 30 20 JCED COc1cc2c(cc1OC)CN(C(=O)CO/N=C(/N)C1=C(N)C3(CCCC3)N(C)C1=O)CC2 109087128 SOZTZQKRAUFCBL-UHFFFAOYSA-N 457.531 0.875 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)C1=O 596059712 ZWAQJEZWATWGHQ-UHFFFAOYSA-N 453.499 0.087 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 608911046 GGTNNRBXKKGSOY-UHFFFAOYSA-N 493.501 0.844 30 20 JCED CN(CC(=O)NCCCCN1CCN(c2ncccn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 609176078 BKTFCROIRLZFIJ-UHFFFAOYSA-N 471.587 0.687 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c1=O 610487050 BIMQQVZFRRENRC-AEFFLSMTSA-N 468.579 0.764 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C1=O 726041959 AEAJWOQSOPOELC-HNNXBMFYSA-N 462.503 0.004 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)c1 726299026 SCLMTLPXOBRXDA-HKOYGPOVSA-N 465.576 0.665 30 20 JCED COc1ccc(OC)c(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn(C)c3)c2=O)c1 726576983 FALXDEUQLMAFDK-UHFFFAOYSA-N 453.524 0.677 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 728533568 OKXRTDJJYNXDCC-UHFFFAOYSA-N 475.343 0.719 30 20 JCED CCN(C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 729687609 VGISUXXDSASRKM-GOEBONIOSA-N 471.557 0.459 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(C)ccc1F 744121838 NGODOJDVYLSSFG-UHFFFAOYSA-N 455.515 0.736 30 20 JCED C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 857752084 ADCYTDBRJPWPLT-DOMZBBRYSA-N 473.345 0.663 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1CCOC 917769220 XDZUKPYIIZOHIY-UHFFFAOYSA-N 487.578 0.763 30 20 JCED C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 917922976 FTINAKCMAQKNGV-UHFFFAOYSA-N 463.537 0.606 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1 918278158 QSUMVMHVMOGERH-CLCOLTQESA-N 465.576 0.667 30 20 JCED CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)N2CCSCC2)CCOC1 1296527091 NIFXWURJYJVYIA-APWZRJJASA-N 472.637 0.905 30 20 JCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539799619 REPOUGKZANGNAK-CQSZACIVSA-N 455.928 0.622 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)N(C)C)c1 1596831231 KOGALKGSIRAGGO-QFBILLFUSA-N 489.602 0.957 30 20 JCED CN(C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617683451 MYIBNEWAHDIEQW-RTBURBONSA-N 494.666 0.375 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1709909229 NJFAQJPUMGPNMF-UHFFFAOYSA-N 469.546 0.938 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N2CCOCC2)CC1 1741931621 QVCRVFXHALHASG-VQIMIIECSA-N 451.597 0.883 30 20 JCED COC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1748337676 JCZXKLQLUVOBIZ-FZKQIMNGSA-N 457.532 0.809 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)CC1 1778357292 UVMHCESXKRONPB-QHCPKHFHSA-N 457.506 0.305 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064576 FMKGZCRUZNMXIG-MHECFPHRSA-N 469.542 0.123 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2ccccc2=O)C1 1779522830 IJSICESKIBGHCO-BJHDWPLJSA-N 456.543 0.782 30 20 JCED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)cc(OC)c2)C1)C(=O)O 1780089163 OWIGVQZISMUYFG-DNVFCKCGSA-N 458.515 0.757 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CS(=O)(=O)N4CCCC4)CCO3)C2)c1 1780173873 IINJIHMHIHBBGA-QFIPXVFZSA-N 476.555 0.436 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)COc5ccccc5C#N)CCO4)C3)CC2)CC1 1781112632 YYPMDUGZCYEQOI-DEOSSOPVSA-N 467.570 0.547 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c(C#N)c1 1781172693 DFCRSWUEAXFSML-WNWNSBFKSA-N 452.511 0.774 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c(O)n1 1782659302 VFPOMFWHNCSMOS-QHCPKHFHSA-N 453.499 0.606 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C[C@@H]32)cc1 1783603542 LBXSLUSVKPZKHC-ZWOKBUDYSA-N 483.550 0.546 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1784155910 NCKBSTAZZIZJLL-XXXZYALBSA-N 455.511 0.704 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H]2C1 1785190580 RSUHAKHMVDBSSQ-VJANTYMQSA-N 498.584 0.182 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(I)cc3F)C2)C1 1785247794 XDBYSOMNNPVZHT-SFHVURJKSA-N 486.237 0.962 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785304057 VGNVTTSLTNQUTN-QQMNAOGKSA-N 481.594 0.269 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1785576635 LJBXFIYAEAYESM-HTAPYJJXSA-N 460.535 0.415 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)CC1 1785631413 SIADZFHWLLLOBM-QFIPXVFZSA-N 478.550 0.025 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1791284173 ZQPOJPRUQCOBNQ-VDNWNZSNSA-N 450.532 0.281 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)C2 1792484750 MRPJDFYPXBRALM-MJRBERDRSA-N 452.511 0.628 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792835466 VJZHYDUQGRRTOH-DFYYWFRZSA-N 467.975 0.609 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1792887360 ROJKPXZPPJREFB-FCGDIQPGSA-N 458.515 0.647 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1793353183 OKXJODYZSBVDBB-DMUMMCEESA-N 469.579 0.835 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1793382834 ILPHTUSNLSTHGT-FSDCSDTHSA-N 452.602 0.436 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)NS(=O)(=O)CC 1793535154 HQQKNTDDUIUKLH-UYTYNIKBSA-N 484.619 0.869 30 20 JCED C[C@@](O)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C(F)(F)F 1793689936 NEZHXVMBUDQAKF-BSFVXNEUSA-N 454.295 0.245 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)c(O)n1 1794488587 JCJVJCJSVIDBHH-YVWYUNDQSA-N 470.486 0.914 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795600141 VJKRWBOEWYJNCN-VLGLQZDVSA-N 457.531 0.628 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O 1797310360 ZBIIFHNOLQBVKW-RGSMHCDZSA-N 493.601 0.622 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)c2C1 1797314688 HCMDDKQYTWLFIZ-JLVBRIDZSA-N 458.519 0.751 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)c1 1798580237 QLZWDZZRAOAVGY-CCWDJLKJSA-N 474.564 0.630 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2C)N(C(=O)OC(C)(C)C)C1 1799375216 RPXTWLDFZFZXRR-STEXWYFWSA-N 476.574 0.762 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(Cc1ccco1)C(=O)OCC 1801234225 VLBJRFATLWDYPH-DCXXXQMHSA-N 461.515 0.866 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCOCCOCCOC 1802103028 SKKPLOMKILRJKZ-YRPNKDGESA-N 456.580 0.894 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2 1802139688 BANJOFDABSCUEH-XSDDWTICSA-N 459.547 0.942 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1802147580 FMMWBFXRSOCQMA-AUOOEQCUSA-N 472.608 0.299 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808273905 OQVIONQFGHNKBA-CDXSOPQDSA-N 472.590 0.843 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810360378 NTRUIZXFNAYQHE-WBIJXOFQSA-N 483.525 0.932 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1810393386 TVZAGJFZDRKCDF-AAFRALBZSA-N 463.431 0.524 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1812443355 KBILVWYQKASVNR-GNBUJSLZSA-N 498.609 0.817 30 20 JCED Cn1c(=O)n(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)c2ccccc21 1818852682 LIERPEFEWDIZDZ-OAHLLOKOSA-N 450.455 0.843 30 20 JCED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)CC3)c1 1822024035 FDVAMMRUAZUTHJ-MRXNPFEDSA-N 473.580 0.971 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C#CC3CC3)CC2)n(C)c1=O 1825101898 CAXHHLHOBGHJNR-IBGZPJMESA-N 480.569 0.467 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)C[C@@](C)(O)CC(=O)O)sc2C1 1826068317 IEIBORMXXKYZJE-FKIZINRSSA-N 451.549 0.953 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829132752 DEKDQIWSEZUEON-VWLOTQADSA-N 499.564 0.448 30 20 JCED C=C(C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1)C(F)(F)F 1829312980 AGBFFWYKJHLGST-LAUBAEHRSA-N 483.491 0.843 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(C)C)CCO2)C1 1830022492 HEXDJPQVHLQSPK-WZONZLPQSA-N 467.563 0.784 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468010 CMIOROZAUVWOPF-KNQAVFIVSA-N 479.917 0.212 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831340184 DFZUTNFIDMAWBG-OAQYLSRUSA-N 467.519 0.131 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1831433570 WNYNLTWPTIECSF-GGUMNFRJSA-N 477.533 0.992 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1831482368 GUACVWZFLVOPJI-HYFFOGBASA-N 489.635 0.673 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3C(=O)N(Cc3cccs3)CC4)C2)C1 1834766852 AOSFXRSFAANQJD-HSZRJFAPSA-N 498.565 0.584 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835800245 NLYRSWWZADEJBR-IVZQSRNASA-N 493.586 0.712 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c(C(F)(F)F)n1 1836320595 HFKNKRKNPYDEGA-NRFANRHFSA-N 491.426 0.989 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)cc1C#N 1836354521 IJXSZGOCTKLQLQ-JOCHJYFZSA-N 454.487 0.847 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1836526253 PYLGBFIPPYFUJV-CJFMBICVSA-N 484.553 0.809 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)N1C[C@H]2C[C@@H]2C1 1837294580 JKOJWTAJQWMRBL-JKPKGCNWSA-N 468.554 0.734 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1837443391 IMHPIWHTRICFHO-IGPUNGKJSA-N 456.503 0.765 30 20 JCED C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443485 CCISZKOTVRNKSB-KQLUBGJGSA-N 458.563 0.810 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837482751 CIZWBMKXZNKDEM-GAJHUEQPSA-N 450.499 0.919 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)no1 1837533403 SKTKITJVRAIYLO-HFSPCEDCSA-N 450.492 0.511 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)no1 1837552174 BTUNNZMHQSIQFZ-DEOSSOPVSA-N 497.508 0.120 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1837565045 KEMBGSTVHJAJDU-CQHUQFDMSA-N 479.537 0.921 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1837565069 LAACCKSDJOZVQL-APRFEEGUSA-N 455.511 0.759 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4ccnn4)C3)C2)c1 1838584879 LROITSIVPAPACR-ZHRRBRCNSA-N 454.487 0.490 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838767325 BTFYMHMNHWSFCX-GOSISDBHSA-N 475.424 0.403 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)c(C#N)c1 1839131667 RAKIXLIZCFWBCA-HSZRJFAPSA-N 467.482 0.375 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c(C#N)c1 1839133273 IRYAUUHUZBKPEY-HSZRJFAPSA-N 468.514 0.248 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1839190789 DYLRYKTYEGGMNW-DZRGJMJISA-N 488.585 0.909 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839363218 PCYSLXVPLQURTR-JOCHJYFZSA-N 459.572 0.307 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3cccn3C1)CCO2 1839738762 GLPUACGKUKESOA-DFBJGRDBSA-N 486.569 0.945 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)C1 1839841057 LSWBAKPMQQCHFC-UQBPGWFLSA-N 498.584 0.848 30 20 JCED CCOc1c(F)c(F)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1840043515 DAXLXQQBQVNYOY-OAQYLSRUSA-N 470.400 0.661 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO3)C1 1840055100 FGPVKUFFNOSERN-KOSHJBKYSA-N 495.573 0.865 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840156221 KQMOCCXWJVTXQO-ACTFIFLWSA-N 487.619 0.379 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C(C)C)CCO2 1840583867 ODGSUINWNCWHJD-WMZHIEFXSA-N 451.564 0.825 30 20 JCED O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccccc1 1840799974 ZOIOPCHLXPOWRO-YYYGAUAXSA-N 485.585 0.735 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 1840909391 SFMRDAAPAJQZOI-NRAIQUKZSA-N 479.574 0.927 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)CNCP(=O)(O)O)C2)N(C(=O)OC(C)(C)C)C1 1842875225 PZHPZBKIQKDABF-HNNXBMFYSA-N 472.479 0.480 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCS2(=O)=O)C1 1845915925 WKLFWGRUIUMRBU-HOTGVXAUSA-N 453.561 0.684 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 514523683 WVFPXAXULMVLQC-UHFFFAOYSA-N 461.927 0.786 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccsc2)c1=O 608913061 QHDDBICQBBCHEF-UHFFFAOYSA-N 474.589 0.662 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 726174581 CCWQAWANHBKXOW-MRXNPFEDSA-N 478.571 0.765 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cccnc2SCc2ccc(C(N)=O)cc2)CC1 728530461 GKDXGCYEJLNVSC-UHFFFAOYSA-N 451.552 0.980 30 20 JCED C[C@@H](OC[C@H]1CCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 921094851 INRBGQAAPWCFLI-SJLPKXTDSA-N 465.528 0.518 30 20 JCED COC(=O)N1CCN(c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cn2)CC1 1468325137 OQHHPIVHRZQPHJ-UHFFFAOYSA-N 458.500 0.647 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1510176014 GEQZUSFWYPUPLX-AWEZNQCLSA-N 458.610 0.843 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1510293571 SHZVOKSZEINGLR-JTDSTZFVSA-N 470.621 0.592 30 20 JCED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)C1 1521063256 PFBKCSQMCVLTKJ-UTKZUKDTSA-N 460.535 0.981 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCOCC1 1618310449 WPTKQNKYRQUMOQ-UHFFFAOYSA-N 461.592 0.913 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1618839994 JYTGTSGFTYOGJL-IBGZPJMESA-N 459.576 0.667 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C[C@@H](F)C1 1778218889 RAZQJEWYKDQDJL-WJONJSRFSA-N 467.494 0.499 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn2[nH]cnc(=O)c12 1779020485 PFMXTNKNQYOAAJ-OJYHMXOKSA-N 455.519 0.246 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)CC1 1781169880 BXNAULHPHJZBJE-QHCPKHFHSA-N 487.561 0.649 30 20 JCED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1)C(=O)O 1781204930 PSCHBZGPQQBNTD-YZZKKUAISA-N 468.514 0.625 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781362116 JUPPDKLPPSVGNN-DGGJZMOXSA-N 464.563 0.907 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1781696012 CJBYEDFRQDEERH-ULYRPOKDSA-N 451.520 0.590 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3c4c(nn3C)CCN(C(=O)OC(C)(C)C)C4)C2)C1 1782528885 HWIQCGZIFJYYLI-HSZRJFAPSA-N 457.531 0.790 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783599302 AIEGTXAZHHWKSO-QZMQVMSPSA-N 481.546 0.311 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)n4)C[C@@H]32)c1 1783912178 FPEIPELJEZHNDL-LNLFQRSKSA-N 451.483 0.986 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2)c1ccc(O)cc1 1784017844 VEEBLUTYXSQWEZ-KOSHJBKYSA-N 468.510 0.271 30 20 JCED CCN1CCN(c2ccc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2)CC1 1785236584 GHFJAYQJTROOAK-XMMPIXPASA-N 454.527 0.360 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786858250 NTCIASOCTDFPAP-OKYOBFRVSA-N 494.637 0.490 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1787125398 UOVNTYNZSRYBFK-ATIWLJMLSA-N 462.547 0.640 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1787224008 HULSIFRHWFIIAR-ZEBXBMNNSA-N 460.535 0.867 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]2C1 1788771578 DLIMZCYYXWIRFK-FSGKZVOOSA-N 496.605 0.587 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C[C@@H]21 1791077592 LWQPYGLHYARROT-UHXUCMFUSA-N 454.405 0.211 30 20 JCED CC(C)(C)OC(=O)NC12CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)(C1)C2 1791077774 JIHSHANVUTZRKV-OGASTRMHSA-N 461.515 0.502 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1791085474 AQKNTWMZLBTMGO-QJEKIYCZSA-N 462.547 0.639 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cn1 1794441773 YJSQOAFMNAYNHH-OPMZPASUSA-N 472.542 0.631 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=S)NCC)C3)c(O)n1 1794490839 PWQHNDZTFJGDCV-CCWDJLKJSA-N 461.588 0.593 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795859544 JAAXXSGNGXFCTI-KYHPRHEASA-N 463.539 0.122 30 20 JCED O=C1COc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)cc2N1 1797450713 SQNWFSKWISQPIN-YTJNBFFPSA-N 472.498 0.750 30 20 JCED O=C(COC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1797656608 PMBNZUDQZONRCP-KBTZEIBBSA-N 451.398 0.211 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1799248095 RJFFAWGPLUYVPA-KRXQYRFLSA-N 452.508 0.336 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1799363490 DWKFOXZUKVKBIZ-LFAIWOPYSA-N 478.546 0.564 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1800351513 HUCVVSCRKMSXJE-VQQMMKBISA-N 490.601 0.751 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)C2)cc(C(F)(F)F)c1 1800526553 UMLLEZBJCZQIPI-AFIMGQEJSA-N 450.417 0.916 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800801498 KGMOSKHVVQIOGI-KMOPNRPKSA-N 497.589 0.606 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)[C@H]1c1cccnc1 1802476324 HJYLCMLMLVVUFZ-RHPOUKCLSA-N 476.537 0.771 30 20 JCED C=C(C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1)C(F)(F)F 1804197574 HUDFTGUKIKNXBW-SJLPKXTDSA-N 474.505 0.936 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)CNCP(=O)(O)O)CC2 1819899258 SUCYFKQFOAEFMO-LZDMLGOCSA-N 475.464 0.309 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC3)c(C#N)c1 1822804701 FRKCLABUKGGGOA-AWEZNQCLSA-N 482.522 0.730 30 20 JCED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC3)cc1 1823489793 VAHAWCGGSZQOOL-AWEZNQCLSA-N 452.496 0.987 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1828807835 UYRJORSEGVDNNA-QPPBQGQZSA-N 485.541 0.003 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCn1ccnn1)CCN2C(=O)OCc1ccccc1 1829391292 CCKFLALOGOUPIS-XMMPIXPASA-N 494.508 0.208 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2 1829626378 DFFODRHGHZWMKV-SOONCWKUSA-N 466.538 0.806 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C(F)F)c3)C2)C1 1829763832 DKBTXRGWZHOZKB-BNOLWBGWSA-N 464.469 0.948 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)c1 1830456747 SEUREXAOVDOQQN-XMMPIXPASA-N 472.611 0.996 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830469598 BXYNAAYDIACRRD-DHIUTWEWSA-N 478.929 0.764 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830661256 FUVUONXOCPJWLS-DVECYGJZSA-N 456.543 0.906 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C2)C1 1831391019 DJYHVCQIIQVSSE-WMZHIEFXSA-N 478.567 0.263 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1831438046 KMBRTLOTKNZMFD-XPVDNZQDSA-N 462.499 0.864 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1831493142 OKKXDUBMAWMSFR-OXQOHEQNSA-N 466.585 0.780 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1832004025 KORSEINKKAZHKJ-NRJQMVOHSA-N 468.551 0.675 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccnc1Cl)CCO2 1832716155 GQHRSBWHAIEQBB-QJKPHDSHSA-N 462.934 0.592 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)c(=O)[nH]c1C 1833391335 UDKJMXLHIZTUNR-XMMPIXPASA-N 481.509 0.407 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565312 FZDYRHALJNRKOK-IFXJQAMLSA-N 457.574 0.015 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)c(O)n1 1833700304 UFZXMLJEELJKGU-HSZRJFAPSA-N 469.498 0.785 30 20 JCED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)cccc1=O 1833869128 DPPJWPUCISYULL-VWLOTQADSA-N 464.522 0.960 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(=O)oc5)CCO4)C3)c2c1 1834596188 BBBZJIPNCJNGDG-QHCPKHFHSA-N 463.450 0.772 30 20 JCED CC(C)(C)OC(=O)N1CCc2onc(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1834760702 HJJDTAIKPLQMKB-HSZRJFAPSA-N 489.529 0.951 30 20 JCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835112820 VYPNHSNVOMROQI-MEVWBCJNSA-N 491.662 0.832 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835145046 PVWNDNVOGIUFIQ-CVDCTZTESA-N 480.583 0.898 30 20 JCED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)CC1 1835511211 OCJKMFKIPXWZSA-YZSQISJMSA-N 486.617 0.434 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835640828 WAJUDYWDOUGQSJ-HYFFOGBASA-N 488.651 0.639 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677186 AADBFYIIHXTXAG-VGOFRKELSA-N 459.551 0.015 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cc(O)ncn3)CC2)CC1 1835765621 LPQOKYVCRIOQSA-NFCNUSAFSA-N 460.535 0.896 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(OC)cc3C#N)CC2)CC1 1835844236 NVJJQKZOGQIKDS-DEOSSOPVSA-N 499.612 0.832 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c(C(F)(F)F)n1 1836321980 TZGMDSYOXOWDCS-FOIQADDNSA-N 481.431 0.321 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3[nH]ccc3n1)CCO2 1836902735 PATUXPYUHJWOOR-IYZQMXKPSA-N 453.499 0.491 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)N1C[C@H]2C[C@@H]2C1 1837286256 FNGOVRFMTKUTHW-YCFYUYSTSA-N 459.587 0.482 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1837397115 QHTISBLEIOGJLM-WZONZLPQSA-N 461.515 0.511 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1837404762 CBCNGPCEDCLALK-CJFMBICVSA-N 490.553 0.882 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1837443292 CKCDKXCKXBABRR-XZEIMLRBSA-N 462.576 0.957 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837527755 VMPYAULVENPCBU-MXGCRNEKSA-N 453.492 0.091 30 20 JCED O=C1CC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)N1 1837736808 DSMAIIHSDRSTNF-STZHKLFZSA-N 450.536 0.793 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1838195492 LSCOCLPOEOZAJJ-HPTBBYBNSA-N 455.515 0.930 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)cc1 1838324445 HMIUSQPXFCJHGJ-XMMPIXPASA-N 478.509 0.150 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838425881 OKDRVAMVEIWOGO-YVABFXQFSA-N 452.471 0.511 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=Cc4ccccc4NC(=O)C3)CCO2)C1 1838443294 HTCIMGQVQVDLML-CJAUYULYSA-N 467.522 0.907 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951383 NGEOJXMGLFGQST-XDHUDOTRSA-N 478.509 0.237 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)no1 1838951445 QOOBGKDSXRIGHE-QHCPKHFHSA-N 467.482 0.355 30 20 JCED CC[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131339 WXLIMETTYQJZCY-UUOWRZLLSA-N 494.589 0.755 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)ccc1F 1839186959 AHNJOYQPKCRCEH-HSZRJFAPSA-N 474.489 0.539 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)ccn1 1839225960 ZSKZYMMYRAMNGH-OPAMFIHVSA-N 461.519 0.911 30 20 JCED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839346068 SVWOOVNEYWZFLG-VBOOUTDYSA-N 489.572 0.879 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c(Cl)c1 1839424595 SCECEWYTBFPJTO-OAQYLSRUSA-N 457.874 0.679 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)c1 1839452825 YNCYKLIOWFQMEE-HSZRJFAPSA-N 456.499 0.779 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488957 KGDDTKXVKYARDZ-RDPSFJRHSA-N 482.541 0.809 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)nc2ccc(Cl)cn12 1839604071 SAKFSUKICLXFSB-OAQYLSRUSA-N 460.874 0.454 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)cc1C#N 1839865988 BLMOAYIKGHEAOT-HSZRJFAPSA-N 458.515 0.681 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1839886965 SEDPSASJXNMVGI-HRAATJIYSA-N 491.532 0.930 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1839888617 XQFOIAWLMKRYND-IBGZPJMESA-N 473.498 0.767 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1)C(F)(F)F 1839892345 IMJKUTMOBUHOKY-LJQANCHMSA-N 491.488 0.815 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1840055290 NPPWAUKELDNOFK-UUOWRZLLSA-N 495.573 0.703 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COCCOCCOCc1ccccc1)CCO2 1840082631 HRIUECBEKFGBIP-VWLOTQADSA-N 489.569 0.997 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCC)CCO2)C1 1840526063 XZFRLNZKCKUIAD-MBSDFSHPSA-N 467.563 0.786 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1840906855 KQHABHQFRJBPFU-WAIKUNEKSA-N 493.536 0.844 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccon3)C2)C1 1840907579 YOOABCHEHRZQKO-KSFYIVLOSA-N 462.503 0.661 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1840909652 ZCDALFODSPJSND-KSFYIVLOSA-N 476.534 0.100 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1840958909 ISQUTBRAJZULJV-DVECYGJZSA-N 477.558 0.492 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)C1 1844259632 LZOBGCHBBWOVSL-VURXPMLHSA-N 463.579 0.889 30 20 JCED CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 24680690 QTLJZUGASWUGGS-GOSISDBHSA-N 468.601 0.889 30 20 JCED Cc1c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cccc1-n1cnnn1 516406445 MWEJUDOOKZTYCW-UHFFFAOYSA-N 480.510 0.314 30 20 JCED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 523244484 SRWUEIIGXQYTNL-UHFFFAOYSA-N 483.550 0.866 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)cc1C 589160082 AFMZHVPZRLHIMM-UHFFFAOYSA-N 477.608 0.894 30 20 JCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 600810967 DGAQEGKFTQIRPL-NJAFHUGGSA-N 458.540 0.955 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(CC)cc2)c1=O 603797414 ZNEQOOCXFBQQSL-UHFFFAOYSA-N 454.596 0.834 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119003 BKQOUXFEXVCLJN-UHFFFAOYSA-N 475.592 0.331 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc(C)c1OC(F)F 608912668 ZDUAVMVMWITXJF-UHFFFAOYSA-N 478.521 0.889 30 20 JCED CC(C)NC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726404228 UCZRDEPHDFFGMF-BLRPHQBRSA-N 481.600 0.327 30 20 JCED CC(C)NC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726404230 UCZRDEPHDFFGMF-JDAKFOBDSA-N 481.600 0.327 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 811831181 ZDNRJGHVNNTNQA-UHFFFAOYSA-N 451.482 0.041 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OCCO2 839371393 VJZLOQKIYIVDDM-UHFFFAOYSA-N 465.535 0.823 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 913173855 QRTACTYHFNRGJP-GOEBONIOSA-N 471.557 0.194 30 20 JCED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 916942680 MUMWXBYZBRTSTK-LJQANCHMSA-N 498.517 0.945 30 20 JCED Cc1onc(CC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C#N 1293999867 KZYPEJVXJKVMMA-UHFFFAOYSA-N 453.521 0.491 30 20 JCED N#C[C@H](C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1nnc(N2CCOCC2)n1-c1ccccc1 1344538975 CRBZIRCYEFXGBD-YTQUADARSA-N 498.565 0.316 30 20 JCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)[C@H](C)C1 1359386792 NURCXXWKVHMPSH-MRXNPFEDSA-N 472.571 0.813 30 20 JCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCN(c4ccccc4C#N)CC3)CC2)cn1 1468971986 LZKLRLFKCOJXTB-UHFFFAOYSA-N 457.560 0.977 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(S(=O)(=O)N4CCCC4)CC3)CC2)o1 1473424581 NOJVAPUDSAEJBQ-UHFFFAOYSA-N 450.565 0.393 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503406863 QCJOPLUWOBDXTA-LJQANCHMSA-N 454.560 0.885 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1504131679 MNPLXCQNTSNGDE-BEFAXECRSA-N 476.559 0.973 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1517022482 IRLYMERWVGPXMH-SFHVURJKSA-N 470.552 0.682 30 20 JCED COc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1518227109 JHKCZVHAQVYGBC-QFBILLFUSA-N 494.549 0.730 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1555558008 JIEFMCDOWOKKIL-KRWDZBQOSA-N 454.597 0.657 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1619952177 NDBFNOKMSISHGM-LJQANCHMSA-N 474.587 0.932 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(S(C)(=O)=O)CC1 1760374247 KZCRCJAMWOQMRQ-CQSZACIVSA-N 468.001 0.377 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1 1760689348 WEECLRQBHFVMCN-JKSUJKDBSA-N 462.580 0.764 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]n2)C1 1777775791 YNHGUVJBQWXUHD-XCGNWRKASA-N 460.535 0.849 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CC1 1778116472 DKDFSHNAJFETJE-XWRADEMYSA-N 466.560 0.200 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1779099869 NXQKNGIEPMECQT-ZFCBIQLQSA-N 456.503 0.790 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)ccc21 1779100724 DRFMRHASNYUSLQ-ZTNDBTQUSA-N 485.541 0.850 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)CCO3)c1 1780332392 WAXSFNSYMWMIJP-PEBXRYMYSA-N 452.471 0.336 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)c1 1780600001 VNRWNMHHOGXFIY-QHCPKHFHSA-N 465.535 0.907 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780921945 DIQDNUSVHAEIFI-HSZRJFAPSA-N 472.567 0.475 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781096811 IRJWSTCZHAJJNE-RNHFSVANSA-N 491.633 0.369 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1781263950 LNYJWSXSKROZNX-QLWBXOBMSA-N 487.553 0.505 30 20 JCED COC(=O)C1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CC1 1781812090 OOVGHRTUVVDJEO-QHZBMIPVSA-N 451.520 0.983 30 20 JCED CC(C)(C)OC(=O)NCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017412 JJKWUYKMYJDMRS-OPAMFIHVSA-N 451.520 0.893 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2)n1cnnn1 1782611074 LVEJLSLJVLYYNL-ZWDAVXSWSA-N 453.503 0.699 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1782634283 ZRSRAKKSQFUBDN-QQZGCWSASA-N 462.547 0.773 30 20 JCED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)Cc4ccccc4C3=O)[C@H]2C1 1784160075 GFBTYGKGSNLECC-IHPCNDPISA-N 452.511 0.885 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784343970 VKQGKWRGSAVILV-VGOFRKELSA-N 460.535 0.415 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CC(=O)NC4=O)[C@H]3C2)c1 1785027690 QBSMUJDFEIEQTE-FHWLQOOXSA-N 453.499 0.022 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1785577236 VLLUVGUTMMPQID-JKSBSHDWSA-N 483.587 0.310 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1785577531 YUJZCHODVZEUFH-DGGJZMOXSA-N 462.547 0.354 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n[nH]3)[C@H]2C1 1786941711 XYNHYLITXSEUHA-MPTYRVRUSA-N 461.519 0.625 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C/N=C/c5ccco5)[C@H]4C3)CC2)CC1 1788679622 DIWQGXZRMDLCSM-VCVUETJXSA-N 457.575 0.458 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n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c3cccnn3)C[C@@H]21 1792258520 JFGNNCHPTLUEDA-VJANTYMQSA-N 487.557 0.752 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1792610703 QDRUXMYYTTUTLL-MYGCXJKPSA-N 461.515 0.596 30 20 JCED O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)NCc1ccccc1 1792939503 BRJDEIYKIQFZNS-KFURKUHESA-N 484.553 0.978 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O)c1ccc(O)cc1 1793166422 MFSJZWAQARHNMI-XWQURZDVSA-N 455.511 0.931 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1793594972 IQMRLCSIFAKZOB-OCVGTWLNSA-N 477.518 0.560 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(=O)O)ncn2)ccc1F 1794368244 KCVXBOPISIBDBI-YVWYUNDQSA-N 453.430 0.631 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCOC1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795081343 YWVLRRDSKAHFRK-QLCXLMDBSA-N 450.536 0.810 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CO)o1 1798120410 MEXJLTCLZBHOQT-LORHWOILSA-N 461.515 0.892 30 20 JCED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1)c1n[nH]c2c1CS(=O)(=O)C2 1798468180 SACYDBBEMZMKKL-MUJYYYPQSA-N 460.556 0.789 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1799365295 OQLLNJRPJSUBJY-YYAJDYIMSA-N 457.593 0.771 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1800337408 XPCCDLCSAFOETQ-DBENCMRHSA-N 490.626 0.525 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1800710819 WFKMJDIBYVVHAI-AYDFFVQHSA-N 468.576 0.660 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C 1800825384 MPEMLHGRXKIPRM-LQIVVWRTSA-N 479.574 0.375 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2)C(C)(C)S 1800907687 IXBJSTNHNIMYCB-YALNPMBYSA-N 482.607 0.469 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801002962 NZWONOKXJMHENW-RPXQCPFCSA-N 483.562 0.661 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(N)=O 1801666802 YZWSTFIQJCDIPU-YYIAUSFCSA-N 495.577 0.696 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(C(=O)O)ncn2)[C@H]1c1cccnc1 1804964983 SFALMHJNWWRAHS-WUDFEMJASA-N 464.482 0.748 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879049 DKLLCRAOCWDNAS-UTKZUKDTSA-N 474.514 0.717 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)[nH]n1 1814437416 ZAWUREOJXZRNBF-XZVRFQMRSA-N 478.575 0.686 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1815770016 XGKCKRGOZJMSBE-SWZHRBGYSA-N 461.479 0.529 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828632318 JYMNKXQCSWBFQS-KBMIEXCESA-N 495.536 0.450 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)NCCC#N)CC1 1828758146 FGNSWAXTGOHAGD-QZTJIDSGSA-N 451.568 0.952 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1828803455 QAYDFYGGALIWFI-YADARESESA-N 467.526 0.878 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNCP(=O)(O)O)C2)C1 1828805686 AHGFXPIOPDOKPG-OAQYLSRUSA-N 493.457 0.077 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCN2C(=O)OCc2ccccc2)C1 1829014190 QAUKWLSCQRYWHO-CYFREDJKSA-N 495.540 0.164 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCN2C(=O)OCc1ccccc1 1829016761 FMKVTNSQMLWXSH-DEOSSOPVSA-N 479.541 0.929 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCO)CCN2C(=O)OCc1ccccc1 1829231964 LYQFXGOVXVKBBN-XMMPIXPASA-N 457.527 0.861 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)cc1 1829632703 YTVQBJSDRMZMIH-VWLOTQADSA-N 464.522 0.809 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(c3cccc(OC)c3)C1)CCO2 1829639721 LWURHBXTTAXZBR-UQBPGWFLSA-N 469.538 0.918 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1830300118 HAPOMBLKBPOCIB-JHBFYXRHSA-N 481.594 0.828 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1830382859 KNBVJPUOHLEPES-ZWKOTPCHSA-N 465.547 0.970 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1831406021 QPWCVVODIJPBDY-QFIPXVFZSA-N 481.571 0.538 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1831438478 OFSQPLMFBIYBMQ-VGOFRKELSA-N 485.553 0.993 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1831997799 GGMZJSWPWFLMTE-NTKDMRAZSA-N 489.573 0.945 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1832000097 GRVJWUQDJNDJDH-OYHNWAKOSA-N 479.534 0.655 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1832000430 OXJGHQJUHASOEX-WLENULPWSA-N 482.578 0.437 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1)c1ccccc1 1832022926 VJGIFXBRHFNKGL-AJTFRIOCSA-N 493.560 0.955 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)n(C)n1 1833447210 DJBVFRWEMAWIJM-QHCPKHFHSA-N 471.489 0.752 30 20 JCED O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccccc1 1834705474 LUECNOMURFIHEP-ODMQBNIASA-N 459.499 0.855 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)CN4CCNC4=N)CC3)CC2)c1 1834706156 LXVYOZGOZVAQEQ-UHFFFAOYSA-N 455.538 0.723 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834753438 KLDIOUWHLRIZJC-RTFZILSDSA-N 478.546 0.240 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1835184657 GGCIAIARFOGHRD-UZLBHIALSA-N 456.586 0.543 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccc5sccc5c4=O)C3)C2)CC1 1835341106 OVQZETDOEKCVGD-QFIPXVFZSA-N 456.524 0.823 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1835713930 OEHPNNGOSYMJBY-FQEVSTJZSA-N 472.590 0.385 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835849856 LMNILOSQHCGTAF-QRQCRPRQSA-N 479.534 0.655 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2ccccc2=O)CCO3)cc1 1835992728 OXWZGKDOMKIOID-VWLOTQADSA-N 464.522 0.809 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccn(C)n4)CCO3)C2)c(C#N)c1 1836062518 SBNQXEMKXDYMCM-XMMPIXPASA-N 467.526 0.542 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c1Cl 1836129179 IABKAHQHIVAAQG-LJQANCHMSA-N 474.993 0.990 30 20 JCED N#Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)cc1 1836287910 VZWYVMVQOMECOZ-UHFFFAOYSA-N 452.515 0.295 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836315971 LBFVFDFSDIBROT-KKRXVXNVSA-N 450.467 0.820 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1=O 1837443934 NHIDVKUBDNVLQM-ZHIQAQTNSA-N 483.525 0.363 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524500 BXKVBADEAXTOEX-LRHHQANISA-N 468.551 0.278 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1837529101 PRJGRPGXDSCNKC-FVOVQBGFSA-N 475.546 0.818 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837693386 PLIKNLISSYYFKS-UUOWRZLLSA-N 454.527 0.638 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)c1 1838583658 KHYVNHKXUPEHFI-XMMPIXPASA-N 470.526 0.649 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595883 IHTYNZOUWPWDOE-HRAATJIYSA-N 463.922 0.729 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccccc3-n3nccn3)CC2)CC1 1838679246 KWCSPMHMUTVBGE-UHFFFAOYSA-N 451.483 0.968 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c(C#N)c1 1839132650 MZDOXEZTTXQLBK-NRFANRHFSA-N 498.458 0.244 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(OC)nc3)C2)C1 1839173210 FFWGDPACZPPKCV-DEOSSOPVSA-N 475.542 0.989 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c(O)cc1O)CCO2 1839251124 YMBICWOBFMSRJM-BNOLWBGWSA-N 479.917 0.680 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)c(N(C)C)c(F)c1)CCO2 1839468205 UACUXTVEPISBGQ-VRWDYKOXSA-N 492.523 0.959 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC(=O)N5CCCC5)C4)C3)c2c1 1839487752 VVECNWBPYZSNTJ-VWLOTQADSA-N 494.552 0.907 30 20 JCED CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)C1 1839488715 FLNNJMUOVUWUPZ-KOSHJBKYSA-N 466.542 0.846 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccccc5C(N)=O)C4)C3)c2c1 1839489362 YSHLXGNZVAZKMV-RUZDIDTESA-N 488.504 0.917 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1839890209 NDCMQPZNNYTTPB-LIRRHRJNSA-N 463.478 0.497 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839988124 XHHGNOVOUMQYRZ-ZHRRBRCNSA-N 455.552 0.541 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1840059835 RNNIPHSWWLFZIC-HYFFOGBASA-N 453.536 0.389 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840108631 MKCSNSPEZYJFRZ-HXOBKFHXSA-N 479.530 0.224 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840160568 LLDQYHBLLXSKNY-VWKPWSFCSA-N 473.592 0.397 30 20 JCED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840199510 CHCXZXQHCHNNGZ-UGKGYDQZSA-N 465.547 0.810 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCSC)CCO3)c(C#N)c1 1840199603 GAZBZJFRPVSSCN-NFBKMPQASA-N 477.583 0.680 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840843464 RJZMYXPOPAPGDA-KOSHJBKYSA-N 495.573 0.703 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1840912309 DDYJRXQCHFCXPF-GAZXMLTASA-N 489.573 0.960 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258630 AFXDTNDLGCXZAH-PTZPRWATSA-N 450.584 0.904 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](c2ccccc2C#N)[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H](N)CN)C3)C1 1845136649 KLUIDXLKAIGAHT-HKBOAZHASA-N 496.612 0.998 30 20 JCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCS(=O)(=O)C23CN(C(=O)OC(C)(C)C)C3)C1 1846141274 IOXQENIYMSYFIA-HUUCEWRRSA-N 487.644 0.932 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](COC)NC(C)=O 1847939439 FAWOEOCUGRGMSG-OWSLCNJRSA-N 452.552 0.809 30 20 JCED CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)c1 11343952 FXTKHWROIVXGSZ-UHFFFAOYSA-N 494.551 0.861 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCCCN2C(=O)CS/C2=C/C(=O)OC)cc1 109393181 RXYCUNMEVMSBKL-SFQUDFHCSA-N 452.510 0.735 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCCSC 514491238 YEYHJSWQMMEQON-UHFFFAOYSA-N 462.553 0.837 30 20 JCED CCN(CC)S(=O)(=O)c1cccc(-c2nnc(Sc3c(C#N)c(=O)n(C)c(=O)n3C)n2C)c1 514926249 NZVNVAYUARARQS-UHFFFAOYSA-N 489.583 0.933 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 523256054 RUQUCHLEEHCBAH-UHFFFAOYSA-N 488.525 0.574 30 20 JCED Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)NCC#N 608867792 CAUXKMHIDPCVNI-UHFFFAOYSA-N 492.579 0.748 30 20 JCED N#Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc(C(=O)O)cc4)CC3)C2=O)cc1 609121995 OUBRPVFORIYQRS-IBGZPJMESA-N 468.491 0.895 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 619104228 QZIAVRQHEFQLTQ-HKUYNNGSSA-N 459.503 0.565 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc2c(c1)OCCO2 619538665 QKANVPFBILHIPA-UHFFFAOYSA-N 469.544 0.997 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cc(C)n(CCOC)c3C)c2=O)cn1 726180642 PUQJYUWMBPOFKU-UHFFFAOYSA-N 480.594 0.962 30 20 JCED Cc1nn(CCC#N)c(C)c1CCC(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 727772857 LGEPUVSMNQOPDN-UHFFFAOYSA-N 469.546 0.441 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 729671458 NROTVUFNUSCBRY-UHFFFAOYSA-N 467.519 0.358 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(F)cc2)CC1 748174952 IVOIVTWNBXEGOM-UHFFFAOYSA-N 488.497 0.503 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 894925972 ODAUNIHZEQIVEG-OAHLLOKOSA-N 453.517 0.584 30 20 JCED Cc1c(NC(=O)[C@@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(=O)n(-c2ccccc2)n1C 916960010 AXWALFQSSAJMLI-KRWDZBQOSA-N 480.506 0.629 30 20 JCED CCNS(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 1459669869 JYKSTMUOBOFRRI-UHFFFAOYSA-N 458.544 0.864 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1507854101 NAZIJPDTHMTYFV-RDJZCZTQSA-N 482.010 0.989 30 20 JCED CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1541714158 PEKBVPCEPKDZDT-MRXNPFEDSA-N 475.575 0.723 30 20 JCED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1562633569 KWUVYVGMSWLJJA-OAHLLOKOSA-N 457.578 0.781 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1620169353 NZRHUCAQCLRHNP-IAGOWNOFSA-N 470.621 0.734 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nccn2C(F)F)C1 1620171132 TWWIYVCCMZZDLE-SJKOYZFVSA-N 474.469 0.693 30 20 JCED CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1620172719 NNBCSDRFGMOEJU-IEBWSBKVSA-N 460.560 0.998 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1637213431 ACNPXQRWFGVTMO-CQSZACIVSA-N 454.574 0.436 30 20 JCED Cc1csc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)n1 1693330622 PWPUFCYQRZIWPG-GUYCJALGSA-N 455.541 0.866 30 20 JCED COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1712330010 XUBLYDIHTXCSES-NRFANRHFSA-N 478.575 0.598 30 20 JCED CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1729723698 IXMRCSKOQJLQOL-UHFFFAOYSA-N 454.510 0.874 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1cccs1 1761483435 YGVGYXJAUQZNPF-YVEFUNNKSA-N 455.541 0.822 30 20 JCED CCN(CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1765015899 UAVCYQUDBXKRSY-WOJBJXKFSA-N 494.666 0.519 30 20 JCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1768452030 XDCLTNJXWPGLKE-UHFFFAOYSA-N 461.548 0.289 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778262267 XOBJOUQIIVSODX-NBGIEHNGSA-N 493.649 0.923 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(C4CCN(C(C)=O)CC4)CC3)C2)C1 1778319986 APOXFGVLXFWIAK-IBVKSMDESA-N 488.629 0.578 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)C1=O 1779065227 PXHSOYNQFZIARW-VWLOTQADSA-N 465.506 0.964 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1779069442 RRMZIMHVASKTJT-XUZZJYLKSA-N 471.510 0.816 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOCC1)C2 1780739539 MDNBJBIRQUNPLK-AUSIDOKSSA-N 451.564 0.732 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1781265913 WEVIBECLMZVVJC-DEOSSOPVSA-N 472.542 0.871 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1781837289 HCCAELJVJPYZAW-QHCPKHFHSA-N 451.531 0.993 30 20 JCED Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)c(=O)nc1O 1781968351 HUJZCJMHWPGFDQ-JOCHJYFZSA-N 455.446 0.412 30 20 JCED O=C(CN1CCSCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1783497945 MFHJKIBFIPYPQV-QFCUHJEHSA-N 454.593 0.544 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCOCCOCc1ccccc1)CCO2 1783567671 VQYKRYJTWXBEPY-XMMPIXPASA-N 474.510 0.154 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1783918417 CFNOKFRTAWQKNI-SZMVWBNQSA-N 458.902 0.223 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)ccc1F 1783981445 VLTYBUVUEZTFDA-IBGZPJMESA-N 456.396 0.748 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCS(=O)(=O)CC4)[C@H]3C2)cc1 1785037575 ZGJONZYPKDBRAT-ACRUOGEOSA-N 474.583 0.076 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CCO2 1785421156 MDNIWBPRULVUTJ-UFMLHLBNSA-N 469.604 0.892 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1788660663 FBFVMWYCGRCZCL-OBEHHOPVSA-N 457.549 0.072 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn[nH]c3C(F)(F)F)[C@H]2C1 1789357854 OJGAEASXFOMOTQ-XYOLNXMOSA-N 456.425 0.275 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1789892352 USJPSWJARJSBDG-RDGPPVDQSA-N 497.589 0.751 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)C4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1790863162 ZZVCTNNFCGMZCC-VMXHOPILSA-N 476.574 0.668 30 20 JCED Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791074280 NZALJPYCOCIHTB-SZMVWBNQSA-N 452.467 0.568 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN(CCO)CCO)C[C@@H]32)c1 1791989184 TWVPJDIQXAXUQR-MQGJPIDWSA-N 458.559 0.194 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1792257235 CCOJUKVGHPVINX-XSLAGTTESA-N 460.535 0.174 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)c1ccccc1 1793230451 KBCNSYARZPSAPE-HATOLVCRSA-N 457.527 0.858 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793587794 JBIFIJQIXAHUPP-VQQMMKBISA-N 485.537 0.800 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1794403419 GTXZPDSJFLPRSZ-BBIADKPPSA-N 482.562 0.944 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccc(O)nn2)C3)c(O)n1 1794490307 CCGYNZAZOIOSDI-USGNIVHTSA-N 469.498 0.684 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)CC1 1795389390 CGYAVHPIDCGOSQ-SFNKJDCFSA-N 489.573 0.395 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)n(C)c(=O)n2C 1796983116 VFYDQPSQEQCNQC-DFYYWFRZSA-N 457.531 0.881 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797103187 ZKTZBWWFHZHVNA-ZSBFGKGUSA-N 468.539 0.693 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1 1797258760 TYBGRHWGKHNFHH-PDOICOKGSA-N 463.531 0.701 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCCNC3=O)ccc1F 1797323354 ALGDVPYLCIJVMD-FAQVEIGNSA-N 480.500 0.473 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)C1 1797809709 AYMMGBCEGARTSO-LDMLCANGSA-N 451.520 0.694 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1799259493 RUZSBAHHOOHUCS-FFECZHCKSA-N 481.594 0.589 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1799681105 OXWYDHKXVUVKPH-NAYBGSHVSA-N 479.555 0.920 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1800745695 KKUVNHZPPUGBKW-DCEYLATCSA-N 495.532 0.713 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801438104 TYGWVVKREQUJHB-UJWQCDCRSA-N 489.577 0.521 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c(C)c1F)C2 1802125318 UPOAZSQGDAZJCW-JYYAWHABSA-N 463.510 0.977 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)ccn1C)C2 1802125688 NOXRUKAJPDPWBS-YNVMFWSZSA-N 472.542 0.505 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1802480532 CQMQFLNKMPHHKA-GSWXJVDMSA-N 459.503 0.010 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c(C#N)c1 1804354434 ONVFXLHGRXYZPV-LLBVYWAGSA-N 490.520 0.808 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804356501 ZUOXWPNSTXYLFQ-MDZRGWNJSA-N 457.487 0.195 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC2)C1 1804849319 VQNDAGNPOJLFDB-ZEVQVBBLSA-N 478.590 0.962 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807149019 CBIMJHZSIQLMSM-HKUYNNGSSA-N 459.620 0.853 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1810285695 GDSKHUKKHZPWEX-AZDINULQSA-N 490.630 0.985 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1812349348 JOWCFHKTEYRDGO-PGIJKQDWSA-N 466.498 0.520 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814978993 AGIPXUCAZRSTJI-ABAIWWIYSA-N 452.537 0.401 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1819842208 WWJMCQFIXGPIJL-ZDUSSCGKSA-N 459.528 0.306 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1819899809 AUDMJJQDOMROCO-ZXGPMVCASA-N 499.615 0.315 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)Cc3cn4c(nc3=O)SCC4)sc2C1 1822479576 YGUHBDLBBUXICY-OCCSQVGLSA-N 473.580 0.999 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1828808482 UNXGIPCVEZLQAZ-CVDCTZTESA-N 488.566 0.929 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829302773 FMZLTKFQDXHSRC-DFBJGRDBSA-N 484.553 0.742 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NNc1ccccc1)CCO2 1829801648 FYGHCFCNPDGTBJ-ORLYXUQQSA-N 471.558 0.306 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1829903542 XQGJHSYUZAMZJE-FMNIHWTGSA-N 452.555 0.897 30 20 JCED CC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1830526464 VNAJQNZAWJXLIA-KOSHJBKYSA-N 494.589 0.755 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830829313 NNMQVPMDIKXZST-BXKMTCNYSA-N 491.541 0.320 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CS(=O)(=O)CC)CCO2)c1ccc(O)cc1 1831345918 RFDVDZOBKFSSRQ-GBXCKJPGSA-N 492.594 0.780 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1831387938 MXJFXGFIMPYURY-YDIMBITNSA-N 495.573 0.117 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)C2)C1 1831398446 BOJUMCNTPGADDL-GAJHUEQPSA-N 474.514 0.769 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)CCO3)C2)CCC1 1833028669 RZNSFILMRYOQPS-CMJOXMDJSA-N 471.514 0.143 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c(=O)[nH]c1C 1833387791 HRBWCLOISKOFKA-XMMPIXPASA-N 472.542 0.155 30 20 JCED CC(C)(C)OC(=O)N1CC=C(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1833412201 GEOGLEHZYVTGJO-UHFFFAOYSA-N 474.558 0.823 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(Cl)c1)CCO2 1833575301 YMQOQLFZFQTVTA-YOXWTLATSA-N 464.906 0.369 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CN4C(=O)CNC4=O)CC3)CC2)cc1 1833677905 BNCYHOXGJGWHJU-UHFFFAOYSA-N 452.515 0.295 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c(O)n1 1833699748 LIDCATJMPBYSNK-CVDCTZTESA-N 493.582 0.553 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833787159 AQEYUEKBUZTSDB-BLTFUYFMSA-N 450.927 0.672 30 20 JCED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n[nH]1 1833827057 BHZMSWZDZPVTFG-HSZRJFAPSA-N 467.482 0.633 30 20 JCED Cc1onc(-c2ccccc2)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833916945 ZDRJIIHOTHSYBP-HSZRJFAPSA-N 453.451 0.808 30 20 JCED CCc1c(Br)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)nn1C 1834758606 QGCMDGOKIAJQKN-GOSISDBHSA-N 454.325 0.729 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1834944690 LRBPQPFLTUGWPT-NTKDMRAZSA-N 480.606 0.701 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cnc2s1 1835341899 LILCNOSZZYVANG-OAQYLSRUSA-N 457.512 0.438 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCCC2=O)CCO3)ccc1F 1835412163 UVELGRCXHVWAEX-HSZRJFAPSA-N 458.490 0.319 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)c1cc2n(n1)CCCNC2=O 1835516040 OVFWPHKGXRAGIP-UHFFFAOYSA-N 452.559 0.615 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835533949 VOHYMJJGXPVECE-JKSBSHDWSA-N 454.568 0.507 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1835673007 QVQVAESXBZXGOS-DEOSSOPVSA-N 481.557 0.619 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1835674749 LOMSFQXWSYRUHB-BWKNWUBXSA-N 469.586 0.439 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1835754308 YPIDJNPQWHNQPL-HRAATJIYSA-N 467.563 0.644 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835768686 CIVVWDVTPPPOFT-NLUQEXNMSA-N 481.594 0.238 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5n(n4)CCCNC5=O)CCO3)C2)c1 1836780984 LSWQDSQZBCDPCC-XMMPIXPASA-N 496.499 0.411 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837196654 VNRQLBRNJDFDBC-WGBQGACBSA-N 455.519 0.500 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)ccc1F 1837254511 HJFGFDBBROBIPB-VRWDYKOXSA-N 470.501 0.531 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1837399336 QUXIEQWSZSMANR-VNZMSGEBSA-N 473.526 0.751 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837564574 YBOCKEKEYWCOPH-JGILBTDTSA-N 462.503 0.684 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837868684 DTLMGXOAASAAES-GOSISDBHSA-N 450.584 0.714 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccnnc4O)CCO3)C2)c(C(F)(F)F)n1 1838369349 IDNSUWHPODGKBS-HXUWFJFHSA-N 492.414 0.851 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCN(C)C4)C3)C2)c1 1838584931 NYAIQAABXBMUAY-YADARESESA-N 456.543 0.979 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1 1838757850 DNKHPOMEIDWDMR-VFJYRVFXSA-N 478.550 0.632 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1839173687 FZBVPGFQIUVIQR-QFIPXVFZSA-N 457.487 0.309 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1839173826 NURUWBHEWZSYNB-HSZRJFAPSA-N 456.499 0.914 30 20 JCED CN1N=C(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)CCC1=O 1839186708 KKQAKHGGULYLMK-QHCPKHFHSA-N 471.489 0.304 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1839227524 GJJDYWGPPUJDFT-HOYKHHGWSA-N 473.574 0.641 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 1839352322 HZOQNVNQPQYIOW-LJBSOROUSA-N 476.461 0.662 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839372852 POPYMAAMNILJSO-DBNSOCDESA-N 459.455 0.586 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1 1839420577 QVKNEKZRAUDTSB-NRFANRHFSA-N 457.418 0.282 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488719 FMRRNNMLCOOUJK-JLCFBVMHSA-N 454.487 0.029 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(Cl)c1 1840041101 QPIMQLBANOBFKY-NRFANRHFSA-N 450.875 0.436 30 20 JCED Cc1onc(-c2ccccc2)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041554 UCSOALMKTPNJLL-QHCPKHFHSA-N 453.451 0.808 30 20 JCED Cc1c(Br)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)nn1C 1840161806 BGSFTPWSAWMWGY-SJKOYZFVSA-N 461.382 0.879 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1840162237 PWMSNFSVJMFAQQ-BONVTDFDSA-N 480.328 0.403 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)C1 1840292816 MVFJVJSDVDFFEU-AREMUKBSSA-N 497.596 0.672 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1)NC(=O)OC(C)(C)C 1840796089 TXTJZZJKIFMKCG-WZONZLPQSA-N 492.577 0.594 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)CCO2 1840936802 FCLGUTXJMPQVLK-QHCPKHFHSA-N 480.562 0.098 30 20 JCED O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301135 WHKSMKHYCUCNGD-AMAFCZHPSA-N 479.497 0.917 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CS(C)(=O)=O)C2 1845131946 LBMCPLQYIIEJPH-MRXNPFEDSA-N 455.577 0.931 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846983277 NYRCRLXLSUGYTJ-KRWDZBQOSA-N 485.541 0.909 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cnncc1C(=O)O)C2 1847069392 NXZFXHQGFVDFRU-MRXNPFEDSA-N 457.487 0.908 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3cnccn3)CC2)CC1 27633345 CLUICWRTNJVHBC-UHFFFAOYSA-N 455.544 0.003 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCc1ccccn1 523574811 DJBMCORASPUGPZ-UHFFFAOYSA-N 455.565 0.660 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(OC)nc3)c2=O)cc1 608884217 VVZRDYJITARJEU-UHFFFAOYSA-N 476.514 0.871 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 725768379 KKMXACOCPIZSRB-OAQYLSRUSA-N 472.527 0.894 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC2CCN(Cc3ccccc3C)CC2)C1=O 726042213 GHHVXBQARJTPNS-UHFFFAOYSA-N 456.499 0.596 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)C1=O 726043711 QPJBALRLGHNJFG-UHFFFAOYSA-N 471.466 0.863 30 20 JCED COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 726726626 SPYZUBTXPSPBMT-WSRQSJKRSA-N 465.532 0.785 30 20 JCED O=C(COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NCC#Cc1cccc(C(F)(F)F)c1 914653122 OKNVERWSHLFLDB-RDJZCZTQSA-N 486.468 0.752 30 20 JCED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 916938181 HWMINDUZMBQZQD-HOTGVXAUSA-N 474.495 0.676 30 20 JCED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc3c(c2)CCO3)c1=O 917771224 SRCFTXKOOQNSHK-UHFFFAOYSA-N 451.504 0.904 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(S(=O)(=O)N(C)C)c1 917776902 UTXMIPZRHQVSTI-UHFFFAOYSA-N 485.591 0.611 30 20 JCED C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300834726 VQDVBCXFPLGEFZ-OAHLLOKOSA-N 474.323 0.781 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1314630904 MTLVUOQCMLTIIM-ZWKOTPCHSA-N 458.567 0.186 30 20 JCED C[C@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1510237746 USZZCFKWBMHKQI-UEXGIBASSA-N 476.559 0.247 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1510295345 YNMBWYPMUJJXQV-JKSUJKDBSA-N 470.621 0.592 30 20 JCED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539578193 XROQCKJSGOOFLN-CYBMUJFWSA-N 478.355 0.955 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539804260 UJAYESFTARHTGX-HZPDHXFCSA-N 459.016 0.969 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CCN1S(C)(=O)=O 1613027116 VTSYMAMROSOKRI-MRUHUIDDSA-N 460.560 0.827 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N1CCOCC1 1613585525 IJHSATQSFQAPTL-UHFFFAOYSA-N 495.588 0.649 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(S(=O)(=O)NC)c2)CCOC1 1696094460 QNCZYIFDMDILNG-LAUBAEHRSA-N 476.559 0.615 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)CC1 1778115581 MXTGLYMVMBLXPB-ZDUIWUOISA-N 495.623 0.989 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc([C@H](C)C#N)c2)CCO3)CC1 1778358422 IZPLGITXWSFVJZ-KBMIEXCESA-N 467.570 0.921 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1778968051 PNEKFWOJABFWNW-BKTORNKPSA-N 460.531 0.396 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779035399 VRVWVBZJXKBLNW-KSFYIVLOSA-N 483.635 0.770 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1781165694 UGLHROOKEKCAOW-AOMKIAJQSA-N 460.535 0.945 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)CN2CCCCC2=O)CCO3)c(C#N)c1 1781177248 VETDZPOAYPPWPI-XMMPIXPASA-N 454.527 0.952 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782597284 CGBILBYCHPYVQG-YKSBVNFPSA-N 452.559 0.864 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nnc(Br)n3c1)CCO2 1783562108 CFFRVJALCKXMSK-GOSISDBHSA-N 462.260 0.023 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)c3ccc(F)cc3)[C@H]2C1 1784014041 JRZDFDGPDAUMMB-LEAZDLGRSA-N 471.485 0.498 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2)NC(=O)OC(C)(C)C 1785307625 FKIWWOYDWCQTOI-CJFMBICVSA-N 493.649 0.923 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)C1 1785592759 HZAUFHUGWHZHLB-VQDLLJBESA-N 499.630 0.966 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCNC5=O)[C@H]3C2)c1 1786261508 VUNCVJXPAQHDEF-UVFQYZLESA-N 466.473 0.544 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)C1 1786697371 UZEKDPHNBRVTBC-JCECYMMASA-N 462.547 0.498 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1)c1ccc(O)cc1 1788655056 LGBIGLGCKDWKBM-YDAQWNMASA-N 485.581 0.520 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1788657843 AJQLTGVGCPKXEI-MLNLXKNMSA-N 465.425 0.601 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)nc5cccnn45)[C@H]3C2)cc1 1789198137 JSQUMKYLBVNZCG-BJLQDIEVSA-N 458.478 0.868 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1789904591 ZYFGVICEFZNCOL-NXOAAHMSSA-N 466.583 0.309 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1790174583 COZOKCUCQLJXSI-WPFAXEAXSA-N 484.550 0.338 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C)cc(C#N)c4)[C@H]3C2)CC1 1790270223 HNUFZJDEFOZCRV-PMVMPFDFSA-N 467.570 0.624 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1791124412 WPKBBVDBJCUSMX-FWMUPONTSA-N 493.601 0.765 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)c1 1792835946 WRMPBNPUZYLZJQ-UPHUGPLXSA-N 472.592 0.941 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793263030 BLHGJCYFXPETHN-NZGUISNBSA-N 471.558 0.849 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1793369592 GWOOHRKPCCVIRU-PJKMLTEKSA-N 451.520 0.510 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C2 1793592714 PVKFCJJKHISSFG-NRUGXNMXSA-N 466.579 0.960 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 1793604347 XPEHBYVAIXRUHQ-AJYBTWMASA-N 495.573 0.721 30 20 JCED CCn1c(-n2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)cc2C)cccc1=O 1795410177 PFGPWTLNSIFYSF-UPHUGPLXSA-N 464.526 0.869 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)NCC(C)C 1796462550 GLQFDRNDNSNGCY-MHORFTMASA-N 466.579 0.818 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1797669303 ODSAKVJFNSBPCN-SFNKJDCFSA-N 493.561 0.685 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797838738 TWKGTBRTXAESCN-NIVUTHITSA-N 464.519 0.174 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]1NC(=O)OCc1ccccc1 1799092223 MZXVJPJUVFNFRP-ZJQTUCFNSA-N 483.521 0.759 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1799324949 SQIDXNUWQDNASI-DLRJPAPCSA-N 490.557 0.361 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1799389678 MEXGLLVBUGWWGK-DAUOMPHXSA-N 496.605 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1-n1nccn1 1799670458 ACIJWSGIRPQMAE-TXFQXBMRSA-N 450.499 0.329 30 20 JCED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1800488165 WIGBPQUNRIPRKO-UJWQCDCRSA-N 494.637 0.945 30 20 JCED C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777155 IDKMZCSKDSZOJE-WVPQZDDBSA-N 463.531 0.700 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2)c1ccc(O)cc1 1801054104 DOGQKLOBASDOKV-OVCNXMPXSA-N 490.520 0.524 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC 1801205298 YGIHOZUDZQJDJX-DFGXFYAUSA-N 468.551 0.792 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C 1802018345 DPXAVIXRQKBLOR-CDLJRSQUSA-N 492.573 0.939 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(O)n1)C2 1802124923 KQSKHQZXNKQWGC-YYAJDYIMSA-N 458.515 0.907 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]3c3cccnc3)c2c1 1807194863 FRKCXAKBKIOGAZ-CDMIOBSGSA-N 474.525 0.742 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@H](C)N2CCN(C)CC2)[C@@H]1c1cccnc1 1807881624 LIHOOUWNPCXKFO-SJKJUJRHSA-N 468.602 0.582 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1810283991 JVWQMRSGFRMNMT-CSCWPXRKSA-N 466.479 0.284 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814567410 ZICISLRWXMVPKE-JIDMFOLKSA-N 451.549 0.916 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=N/O[C@@H]2CCCCO2)CC3)CC1 1818894946 BVJMMIQCEAVTIH-RROYJYQASA-N 492.602 0.748 30 20 JCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(-n4c(O)nnc4O)cc3)sc2C1 1821418395 BMKZNEOKLNAULS-NSHDSACASA-N 468.451 0.449 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)N3CCN(C)CC3)sc2C1 1822683272 KUSVPKNSFOHQKK-YVDRWBGASA-N 460.604 0.549 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665486 PEQTVJTUTQIHCG-DGCLKSJQSA-N 466.516 0.683 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828495693 HJUQIUYYWGTPLV-NBGIEHNGSA-N 498.536 0.441 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828520954 LXPKGJYVLPREEY-VGOFRKELSA-N 465.572 0.704 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828585143 QDJFYIDFNZSXLM-YADARESESA-N 497.556 0.716 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1828808387 RNJCFQZOFQJTKX-JPYJTQIMSA-N 453.499 0.488 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829631046 FQPJAMOBDWGDGV-KOSHJBKYSA-N 454.527 0.638 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1829764778 VDEQEKZUNJNXHO-QATSOJGNSA-N 462.478 0.158 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1829807045 GXUIUEABVWAQQM-CYFREDJKSA-N 472.590 0.730 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1OC)CCO2 1830224412 JQYSECQGJQSQMS-HMLKYZKVSA-N 473.526 0.389 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1830768895 JSQBPBOKZNAEQC-BUBCTMACSA-N 452.552 0.456 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)CCO2 1830957229 FWSMTMQLHVNACH-DEOSSOPVSA-N 471.558 0.571 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 1831402117 OELXYWZDFGERHW-XLNZFTOWSA-N 479.574 0.881 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251773 XKBVKYFVPOAEMG-SJCJKPOMSA-N 470.416 0.371 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2)c1cccs1 1833273952 UENIIXLGKQMWCM-IOUFHMPJSA-N 457.508 0.891 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)cc1 1833497940 TUIXSDAEQLILTP-HSZRJFAPSA-N 465.466 0.625 30 20 JCED CN1CCN(CC(=O)N2CCC(N3CCC(NC(=O)C#Cc4ccccc4)CC3)CC2)CC1 1834519205 WJOYSTQCCLVLJA-UHFFFAOYSA-N 451.615 0.857 30 20 JCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)CC3)CC2)CC1 1834598751 YEQYYKXWZYEMEV-UHFFFAOYSA-N 493.612 0.897 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1834716160 HXTSPJYLRCOMBF-UHFFFAOYSA-N 460.539 0.785 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COCc1ccccc1)CCO2 1835364745 FTYHKXZVNWRJQY-HMLKYZKVSA-N 457.527 0.518 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1835674417 JLIWBZXZJCPCQC-JOCHJYFZSA-N 455.519 0.310 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1835677243 CORSVBBPKWUCOE-ZJSXRUAMSA-N 485.541 0.459 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1835712894 KCDNRWXAKZLQCG-IBGZPJMESA-N 493.630 0.596 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)CCO2)C1 1836684708 IQIFXWBMFVPYDG-PXDATVDWSA-N 470.570 0.894 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1837528266 CLBCDCNCNBLYNV-FPHRNUPISA-N 471.514 0.933 30 20 JCED CCOC(CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)OCC 1837533186 KOLAAKWYQXNRJS-CVUWTOEQSA-N 471.551 0.761 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742324 CYYSRZIWKMKPCH-BXKMTCNYSA-N 465.510 0.775 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)no1 1838906762 DLTRMAGVLLOKER-QHCPKHFHSA-N 467.482 0.954 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)N1CCN(C)CC1 1839103120 FRBHHRQOUDWWFX-NLFFAJNJSA-N 469.586 0.459 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)c(C#N)c1 1839132155 WFYIPQNMGBVGGI-HSZRJFAPSA-N 453.499 0.532 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1839174548 JBGNMIACSJUXTL-RDPSFJRHSA-N 459.543 0.695 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)cn2[nH]cnc(=O)c12 1839362884 VMLMUQIYTXAQGS-RUZDIDTESA-N 490.520 0.781 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1839751471 YJJKQEGBPNFCKU-KOSHJBKYSA-N 496.605 0.781 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1839866222 OWSUBBHGFKOFOZ-SBUREZEXSA-N 482.578 0.568 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1839887501 GJSPQJSULQARFE-GOSISDBHSA-N 474.486 0.120 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1840162267 QWEKDDXYLXFEGN-ZUOKHONESA-N 451.501 0.918 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840941281 CVFYBQUTLARROW-XMMPIXPASA-N 456.543 0.879 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)CC1 1844301146 WTZHYSXUDKEMSZ-LANLRWRYSA-N 456.565 0.390 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844674721 QABSBCNGOOMZIB-MRXNPFEDSA-N 480.525 0.823 30 20 JCED CCCn1c(N)c(N(CCOC)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c(=O)[nH]c1=O 106034645 ZJADDRDLAVYYEG-UHFFFAOYSA-N 468.518 0.672 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)C1=O 510237110 OJFSWNPDQKUGIU-UHFFFAOYSA-N 464.500 0.785 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC(F)F)cc2)c1=O 523744536 ZPLKNDOBAAGDOA-UHFFFAOYSA-N 479.505 0.910 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc3c2OCCCO3)c1=O 603986194 PUPZFNWZKXUOMA-UHFFFAOYSA-N 455.536 0.913 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(=O)N(C)C 604270403 YCAVYOMKIUFZRS-UHFFFAOYSA-N 477.384 0.788 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(=O)N(C)C 609074510 CZTMSEMCHZDVJS-UHFFFAOYSA-N 482.484 0.926 30 20 JCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C3/CCCN3C)c1)CC2 727231673 RRXYYDPHCTXFSQ-VKEPEHDUSA-N 459.532 0.469 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 728531789 PYOATUYWDHSJRY-QGZVFWFLSA-N 450.461 0.948 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)ccc1F 729671012 GHEGDNNVFWRPNC-UHFFFAOYSA-N 465.572 0.677 30 20 JCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC2CC2)C1=O 730945187 PHCOIXBOWUAYCJ-BWORXHKJSA-N 454.574 0.697 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 812744638 VKXOPRBAJMSPSY-APWZRJJASA-N 475.615 0.951 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)c1 918288499 ANZWSGOMKKOHME-BWAHOGKJSA-N 471.543 0.577 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N[C@@H](C)C(=O)N2CCCCC2)ccc1F 919074946 IIOZCMLKDKFGFV-AWEZNQCLSA-N 455.508 0.964 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CCO1 1359453014 YAATWVRCONUIPK-KNQAVFIVSA-N 456.503 0.221 30 20 JCED C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1359478380 RNBFHQCHSHHAAE-INIZCTEOSA-N 471.587 0.650 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1505136799 JYMBZRVJNDZVGC-UHFFFAOYSA-N 473.603 0.745 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1620177128 SUKXBEYHPCPNAO-UHFFFAOYSA-N 453.532 0.483 30 20 JCED N#Cc1cn(CCNS(=O)(=O)C2=Cc3cc(Br)ccc3OC2)c(=O)nc1O 1622372261 IJKMDDLGSRQNFD-UHFFFAOYSA-N 453.274 0.936 30 20 JCED C[C@@H]1COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1763236134 XPYLAXLPKXTDFV-SJLPKXTDSA-N 467.596 0.072 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1777962536 ABEZEOHGPDAYFJ-UTBIRPSLSA-N 483.606 0.959 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)CC1 1778357137 TUTGRKNSORVCDI-XMMPIXPASA-N 471.533 0.234 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1780086928 LCFQFFUYFLQKMK-XXGSHBOYSA-N 470.482 0.832 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@H](C(=O)N1CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1781063962 XVPVUOCQNODHTN-SVHPSLOZSA-N 475.542 0.940 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1781290931 KFEGAUPMBZKRCG-YGKZAACZSA-N 464.563 0.954 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)no1 1781300937 HIROVZRZIMPFER-QHCPKHFHSA-N 469.473 0.796 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3nn[nH]c3c2)C1 1781436349 KQWIEWNMBISUOG-TWEUYWRPSA-N 452.515 0.944 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=S)NCC)C3)C2)N(C(=O)OC(C)(C)C)C1 1782647145 MOMNOPFLLODLNH-GAJHUEQPSA-N 495.646 0.866 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C[C@@H](F)C1 1783564303 IYLVKNLXEWIZAY-DMPWYTOCSA-N 467.494 0.499 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784093295 JAMJCFOTEJXEKC-UUOWRZLLSA-N 487.557 0.639 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1784196749 LKJSSTXUEAYUQG-IJKOJPKGSA-N 492.573 0.954 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C[C@@H]21 1784482071 FFZNEDDBXWBHEV-HVTWWXFQSA-N 479.574 0.640 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C[C@@H]21 1784486093 XFQDGBTWRZLWIN-ILNCAHHFSA-N 491.585 0.783 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)[C@@H](O)C1 1786364001 ROWTZQLDLAGYDS-ATIWLJMLSA-N 450.536 0.498 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1786678416 QIKQVYGETYJVKX-YZZQMHEZSA-N 476.574 0.714 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786800260 NDFUAFGUWBDGAV-ATIWLJMLSA-N 481.594 0.028 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1789809444 IVOJBKFQKCFLDB-UYLCUJDWSA-N 457.593 0.512 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)C1 1789810709 DDOGXESGTXFSOG-TXTZMMAHSA-N 450.536 0.498 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(Cc3ccccc3)C(=O)C(F)(F)F)[C@H]2C1 1789894463 QAYTXYRJEVNFQQ-BZSNNMDCSA-N 495.454 0.645 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)C[C@@H]32)cc(C(F)(F)F)c1 1790257707 ZZTBYOSFVKPOBY-JQFCIGGWSA-N 493.442 0.722 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(C)=O 1792539585 XMQVZLHVZQRSLI-KHOYOECWSA-N 478.590 0.960 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1793204614 UKDXVSDTKJAODG-JJYSZZJESA-N 453.539 0.663 30 20 JCED O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1794035717 XLGCIBWSRXMHLM-VDNFSCKISA-N 461.519 0.253 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420378 NNYIYIDCGFHORH-SFNKJDCFSA-N 493.561 0.685 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1797704954 WVJPZDGZEZUQIV-NNXHMXCWSA-N 455.552 0.035 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)N2CCOCC2)cc(C(F)(F)F)c1 1797809329 FXPDRQQFRGELEF-HPNQWNLUSA-N 482.459 0.431 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1797839420 FLVITCNWOCNUEK-UUUMLOPGSA-N 480.565 0.924 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3c(O)nnc3O)cc2)CCC1 1798600082 QZUNNWBETKACLT-SCAQPMJSSA-N 452.471 0.576 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1799332115 PNOFYGDIYPJTFT-YDLBFBONSA-N 498.580 0.973 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1[C@H]1CN(Cc3ccccc3)CCO1)C2 1800454035 ZTNUYFLALJHTER-DAVFGYKESA-N 475.549 0.887 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1)NC(=O)OC(C)(C)C 1800527328 DVLWSWSHFXVVSS-WNSDDWSPSA-N 464.563 0.572 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778469 APRREUUXPKTVKL-AXVVYFOYSA-N 461.515 0.361 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801050785 HWNMMUDZOQGNDB-YGBCKFAYSA-N 467.563 0.539 30 20 JCED COC(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cc1 1801141987 SWUVIWAGRLLUAV-CEQLMSFQSA-N 456.543 0.887 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2)NC(=O)OC(C)(C)C 1801931728 YWYVUFHOVRMLRY-TWHPPBISSA-N 496.605 0.587 30 20 JCED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC[C@H](N)C(N)=O)C3)N(C(=O)OC(C)(C)C)C1 1802506902 RHIGZBNUNXPKIO-ADHGMGHFSA-N 463.579 0.783 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806078024 HPYVLRDXQLGXGW-SYNHAJSKSA-N 452.515 0.932 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807354726 ROGLCKISAKTCJH-ZXNWMMIKSA-N 494.512 0.661 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810288135 IITPGTHEWMRPQA-LPAZXNGQSA-N 452.515 0.484 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1810489787 OACYIFKYPPGXOM-UWJYYQICSA-N 451.483 0.476 30 20 JCED C#CC(=O)NC[C@H]1CCN(C(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)[C@@H]1c1cccnc1 1812531228 CCURYODBYBVOSZ-OXQOHEQNSA-N 490.524 0.861 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@H]1c1cccnc1 1812873727 DSPPUPDMXBIWNL-UUOWRZLLSA-N 490.520 0.211 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1813174354 IQQGYQLBNLGZCL-LPAZXNGQSA-N 452.515 0.484 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)c(=O)nc1O 1814041516 VFCUGCWLBNGSEQ-XSYYCTDRSA-N 481.557 0.830 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814972809 OVKYWWYJFGDNBF-STQMWFEESA-N 470.621 0.665 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824974526 JVYMMBALMORHRG-AZUAARDMSA-N 455.621 0.928 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826806218 PMVONCOJHKETRA-KRWDZBQOSA-N 459.480 0.840 30 20 JCED CC(C)CNC(=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332202 CTISUELLLYDCAB-VWLOTQADSA-N 498.536 0.299 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=N)N)C2)C1 1829342800 OJLGBUOYLSWEPO-BTYIYWSLSA-N 462.576 0.240 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632056 OIFNLKFJFQXNNE-CVDCTZTESA-N 457.531 0.394 30 20 JCED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)cc1O 1830457941 HJJWTVUFKDDEGV-QHCPKHFHSA-N 453.499 0.700 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1830881615 FQARWBVTMPEZED-PNCHPQGNSA-N 485.578 0.310 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1831401623 DAQPWXZCJSNKQM-ZHRRBRCNSA-N 482.530 0.338 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1831401635 DGQYJGCBBITSBM-CYFREDJKSA-N 457.527 0.220 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)C2)C1 1831403916 BHJXHMIXKGRDID-GSRZOBFVSA-N 497.564 0.829 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1832000176 JCAAQBXLVKSHBO-DVECYGJZSA-N 490.557 0.859 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832285635 ITKQOSGGVSOUEN-CYFREDJKSA-N 496.605 0.781 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1noc(C(C)C)n1)CCO2 1832784307 YZRQYYJMMMGLQQ-LXHZQTKUSA-N 461.519 0.050 30 20 JCED Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)s1 1833021568 SEBJHZYQKZEAIH-YITPPGKRSA-N 481.575 0.765 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833028883 WQYREYNVYKUKKX-QMHKHESXSA-N 458.515 0.253 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc[n+]([O-])c5)CCO4)C3)c2c1 1833277958 CETFYUUVDGIIBC-HSZRJFAPSA-N 462.466 0.452 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C)cc(C#N)c4)C3)C2)n(C)n1 1833446442 JPRWHJDCKWXJOD-HSZRJFAPSA-N 453.499 0.993 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833599046 AHEUOTACJFYBDW-IERDGZPVSA-N 451.545 0.767 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)c(O)n1 1833695935 KKSHATAGFNDGGJ-MWTRTKDXSA-N 460.531 0.487 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834251031 ILVVSTWBRHEJGY-GAZXMLTASA-N 489.573 0.960 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099086 YUQBJESLDNRFIF-NBGIEHNGSA-N 487.553 0.380 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2)c1ccc(O)cc1 1835640315 PPIIUFMAVJDJOD-NBGIEHNGSA-N 483.569 0.186 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835640858 WXYVMJCXAHBBPV-WZONZLPQSA-N 464.563 0.098 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1835682415 HDZPYNUZDVIGHE-HSZRJFAPSA-N 462.522 0.943 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1835795175 LPHFVOJDRZWUGW-XDXAGZTOSA-N 497.600 0.025 30 20 JCED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836099925 NAZDFCSHTBYYPE-UHFFFAOYSA-N 451.531 0.824 30 20 JCED CCS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1836846103 GRFKLKGBYRUFMV-CJLVFECKSA-N 456.609 0.891 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C(C)=C/OC)CCO2)C1 1837268386 KXHWVUFTTMDFHD-OMSKPKMWSA-N 465.547 0.910 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1837393318 OXVIYVUWXHBDID-WZONZLPQSA-N 451.564 0.419 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837701375 LFUWZQGDBNXJLV-WAIKUNEKSA-N 458.490 0.387 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(CO)o2)CCO3)c(C#N)c1 1837970399 KFOWIPDDMXBDSK-XMMPIXPASA-N 469.494 0.965 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)cc1 1838367089 BMUKSGZYTPVFDE-HSZRJFAPSA-N 451.483 0.757 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)CCO2)C1 1839083336 QLWRYRVNGFQPGH-IMWIBFENSA-N 475.590 0.126 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c(C#N)c1 1839132227 AFSMTAYGOLFFFX-CVUHLLMESA-N 482.537 0.401 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOCCOCCOCCOC)CCO2 1839220344 IMLPJEZRFUHCCN-QFIPXVFZSA-N 458.552 0.105 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)n(C)n1 1839420021 IIJLVHDGUKIJRF-JOCHJYFZSA-N 457.462 0.823 30 20 JCED CCN(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488794 FRAFTLAPZMJDDJ-QMHKHESXSA-N 454.531 0.845 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1839890460 BYFINAGHMOYIIU-FQEVSTJZSA-N 464.506 0.724 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cncc(O)c5)CCO4)C3)c2c1 1840064283 CTUAQYRNOKELRX-HSZRJFAPSA-N 462.466 0.919 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1840293409 AIXPPLXFXSEVQB-QHCPKHFHSA-N 457.531 0.280 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840897323 WMNWZLHOPUHWAD-IFXJQAMLSA-N 472.589 0.104 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1840906725 IIIOVIDMIDTNME-JKIXTWFVSA-N 465.547 0.130 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCN2C(=O)C=CC2=O)C1 1841758806 YYXXEVCFNJHMJL-MRXNPFEDSA-N 458.515 0.422 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842874704 HBIAGXBGAYPXCU-INIZCTEOSA-N 486.506 0.611 30 20 JCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cc4n(n3)CCCNC4=O)C2)c(C#N)c1 1843999171 KSRRJXZXSPKMJZ-UHFFFAOYSA-N 462.510 0.957 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1845187806 WSACYHBNDRAQMI-UHFFFAOYSA-N 469.542 0.734 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1845255547 FNZZSIGWQVFZNB-OWCLPIDISA-N 465.576 0.171 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c(I)cnn1C 1847801613 QAUWDJVUWVVCAR-UBHSHLNASA-N 456.284 0.878 30 20 JCED CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)cc1 11265243 LWJNLDVSJJWYPX-UHFFFAOYSA-N 467.507 0.878 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)CN(c3ccccc3)C2=O)CC1 109419335 RPVQCYIGRJTHJS-UHFFFAOYSA-N 467.507 0.860 30 20 JCED CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 516406579 UGIRAGDKABMGCI-UHFFFAOYSA-N 455.496 0.389 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCNS(C)(=O)=O 524281298 PQLRLHYAOHKQNH-CYBMUJFWSA-N 478.552 0.485 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCCSC 590995640 NVXSCWKRVUQLLJ-UHFFFAOYSA-N 462.553 0.837 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 602251584 DHPVZHSXSGNLBL-GJZGRUSLSA-N 488.522 0.943 30 20 JCED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 604068879 WXKILWXNYCHXRC-NRFANRHFSA-N 467.551 0.830 30 20 JCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 609186103 QRWYEPQAVJDGGA-UHFFFAOYSA-N 464.525 0.136 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1=O 726043599 WNGXOUZEMUATRC-OAHLLOKOSA-N 457.439 0.641 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2\S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO2)cc1 726404320 VYLFBASOSQDEFK-NYRNWBAJSA-N 466.585 0.982 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 726576866 CKHWLULYQYKWIL-UHFFFAOYSA-N 499.508 0.846 30 20 JCED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O 727161266 TVNDLZMBEXWSHT-UHFFFAOYSA-N 482.525 0.994 30 20 JCED Cc1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1S(=O)(=O)NCC#N 731183409 VNQWUJGIKVKVIW-UHFFFAOYSA-N 476.580 0.962 30 20 JCED C#Cc1cccc(N(CC(=O)NC)C(=O)COCC(=O)N(CC(=O)NC)c2cccc(C#C)c2)c1 749503991 BHRNMEAHCRKECW-UHFFFAOYSA-N 474.517 0.524 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3nc(-c4ccccc4)ccc3=O)CC2)o1 919548502 YVXHUYWELPSWII-UHFFFAOYSA-N 462.466 0.970 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C)s3)c(=O)n2C2CCN(C)CC2)CC1 920399073 LWRYAJNOHPSEGD-UHFFFAOYSA-N 486.667 0.609 30 20 JCED N#Cc1cn(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c(=O)nc1O 1144758967 SFKMOWNOSZGJHK-INIZCTEOSA-N 457.288 0.992 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(c2ccncc2)CC1 1288870818 QYCALBBQUOPHGZ-LPHOPBHVSA-N 474.591 0.929 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1301809911 RLMNMXYPVCNSJP-HZPDHXFCSA-N 458.610 0.873 30 20 JCED CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1314552590 KRJXSAMJPXHHSF-UHFFFAOYSA-N 488.618 0.944 30 20 JCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1554483330 XGMCSLMVIWQTKB-INIZCTEOSA-N 450.547 0.742 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1555818190 RKDQWXISVRPJKJ-UHFFFAOYSA-N 459.576 0.667 30 20 JCED N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCOCC1 1565466370 UNIYHTIDMVJZMP-UHFFFAOYSA-N 450.517 0.794 30 20 JCED C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1611303890 SYLDOFJCNQDJFL-HNNXBMFYSA-N 450.503 0.789 30 20 JCED Cc1c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)sc2ccc(C#N)cc12 1621721730 VWFFJTYGOONYTO-CVEARBPZSA-N 455.583 0.858 30 20 JCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)CC2=O)cc1Cl 1629191015 PVQVQTJTUWBABN-KRWDZBQOSA-N 459.934 0.568 30 20 JCED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1640664876 KOOBEIVDEUYBPQ-OAHLLOKOSA-N 453.546 0.028 30 20 JCED Cc1c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)cnn1C 1707028899 OGPGNFPQSMSVOK-FXAWDEMLSA-N 462.580 0.831 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1729680355 MHVYWPNDBRZSNY-ZWKOTPCHSA-N 458.544 0.735 30 20 JCED N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(=O)NCC(F)F)CC2)c1 1770741147 YOHASIYAKLCZDX-OAHLLOKOSA-N 494.528 0.155 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017475 QBILYHUVFORFCU-FORKAKRTSA-N 481.594 0.828 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170255 YQSXWLVAFUZIFI-BXKMTCNYSA-N 491.589 0.882 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1)[C@H]1SC(=N)NC1=O 1781786922 MWBQOWAHKWXNBO-WTBBCNCBSA-N 455.540 0.999 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1783166557 HZIVPGIUGUFDGQ-SAHWJRBASA-N 464.563 0.812 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786364162 SJDKTSZXEYKYHB-JHWSBEJJSA-N 464.563 0.888 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786884752 LBKWFBAHDWRYRK-AVEIZBFRSA-N 481.594 0.028 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](CC)NC(N)=O)[C@H]3C2)c(O)n1 1787407568 GHKRRMIGEALNAK-QZHFEQFPSA-N 459.547 0.946 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NNC(=O)C4)[C@H]3C2)cc1C#N 1788557515 ONPKRTRGRUWKGT-KNBMTAEXSA-N 453.499 0.815 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccn4n3)C[C@@H]21 1788658858 ZNWJJZMWEKHDOL-VKLMZGIUSA-N 456.503 0.852 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)CCOC1 1789914095 UYARUAIJBAFDGX-ACTFIFLWSA-N 450.536 0.954 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2C1 1790231056 QBTZNMVVADKQBU-UHMOLFJZSA-N 462.934 0.956 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1790879194 ONFSYGNFQSWJAW-VGWMRTNUSA-N 488.532 0.946 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]3C2)c1 1790911759 HNSVMJFZRANTBC-MNAPGUCWSA-N 458.559 0.194 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)C[C@@H]2C1 1791077772 JEMACJJTFKZWSU-IKJLZNBSSA-N 475.542 0.701 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C[C@@H]21 1791266267 NLJLYRZPAMNHNG-JSRQGNBESA-N 457.593 0.920 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)n4cnnn4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791379251 XXAZZPPAVYMKRT-BCYZHJNNSA-N 489.577 0.779 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1793593965 YSJQCYQJVFBPFR-RPUYLAQPSA-N 452.552 0.557 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794093990 XRZRCOUHBDVEAR-REPLKXPHSA-N 460.556 0.306 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794108835 QSVUGPRCFIPKCE-MFCZKXCZSA-N 460.531 0.565 30 20 JCED O=C1CN(c2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3CC3)C4)n2)CCCN1 1794504461 NFPKCNCUSHMKBQ-FEJSZKPUSA-N 451.527 0.025 30 20 JCED Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)nc2C(F)(F)F)cc1O 1795996686 DBYRMCCUHAOSPP-CULMDFNYSA-N 464.404 0.928 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2n(C)c1=O 1796996595 ISXLBQKWZAVDLX-WTLGNFPFSA-N 454.527 0.710 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C2CCN(C(C)=O)CC2)CC1 1797279235 HCKULKIVMIROKS-RUMRUAAYSA-N 458.603 0.712 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1797811403 MYOQQVUFOJFGFZ-ASMPTTBBSA-N 493.582 0.969 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnncc2C(=O)O)C3)c1 1798578441 OKZHRZVNGNQGSQ-CCWDJLKJSA-N 451.439 0.572 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2c[nH]c(=O)cn2)N(C(=O)OC(C)(C)C)C1 1798636245 PEWBWTUAXXLHLQ-HIRMHNASSA-N 473.530 0.539 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)NC=O 1800097138 YJXXLLDMKDFQJB-SFFUCWETSA-N 495.577 0.565 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)C2 1800987255 DCYZZOYBLXWCOX-ZLXUVUDQSA-N 455.577 0.673 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1801001907 BBXGAORZEUQZLB-RMFSNUHRSA-N 463.556 0.487 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(N)=O)C2)NC(=O)OC(C)(C)C 1801930650 MSCXPNCSFACWSE-KRXQYRFLSA-N 453.540 0.104 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCNC(=S)NC)[C@H]1c1cccnc1 1802482899 PVXTZZHQBSDPPP-SXQBJFQMSA-N 458.588 0.430 30 20 JCED CN1CCN(CC(=O)N2CC[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)CC1 1810286515 MAZKUKQCKUXIBK-KRRIGJFZSA-N 455.607 0.807 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)[C@@H]2c2cccnc2)c1 1811539836 YFJCNBDVKXWWOX-OXJNMPFZSA-N 458.482 0.855 30 20 JCED N#Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)ccc1F 1816674658 YDVWNCBECFQMBR-LBPRGKRZSA-N 493.484 0.748 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825660868 VDEIGUPHELMNQO-PWSUYJOCSA-N 452.489 0.029 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCc3cnc[nH]3)C2)C1 1829330704 OPZHZWUJHOMFJN-VWLOTQADSA-N 493.520 0.882 30 20 JCED C[C@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)N1C(=O)OC(C)(C)C 1829642798 JNSSPKPXHHXEGJ-QQMNAOGKSA-N 479.530 0.319 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)sc3C)C2)C1 1829764596 OYAQDWSYXSDVSJ-LXHZQTKUSA-N 462.572 0.617 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1829766273 PKVFGUZFLRKFEO-HMLKYZKVSA-N 480.525 0.196 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1829773457 KEBKAYXTMUXQPU-KWQGRVAKSA-N 485.537 0.331 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352103 FJENOPBCVSCRNE-ZHRMCQFGSA-N 491.610 0.541 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1830574020 VDLOVZBZHMHWRK-IFXJQAMLSA-N 481.468 0.447 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830885779 KYIJXXXZQXJMCZ-IUKKYPGJSA-N 499.630 0.976 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccccc3C(=O)OC)C2)C1 1831387730 JXGRKURAOZPRMR-DFBJGRDBSA-N 472.538 0.901 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1831388485 YWXZJAKJHWZQNU-WZONZLPQSA-N 453.499 0.376 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1831397484 ZFULTPWEKDJZPM-HXOBKFHXSA-N 453.499 0.580 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1831997957 IVGXOWWJLLRADG-HYFFOGBASA-N 454.568 0.507 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CC(=O)N(C5CCCC5)C4)CCO3)C2)CCC1 1832360104 PJIROLTUZNCUOZ-HOYKHHGWSA-N 458.559 0.928 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1832446956 NLFYBOKBAKNZLD-HNNXBMFYSA-N 458.430 0.717 30 20 JCED COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1832767692 VMEZXZQYMRAADI-LPEYTCNWSA-N 476.530 0.618 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833396907 QWTIYPURRVSLBS-YLJYHZDGSA-N 471.601 0.510 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCN(C)CC3)CC2)CC1 1834624566 JJVGEKAIPMORIT-UHFFFAOYSA-N 477.650 0.705 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342049 IZMXMFLMTJHSQM-OPAMFIHVSA-N 466.535 0.286 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)CC2=O)c1 1835350850 DNYSXCZLSUQVME-KOSHJBKYSA-N 470.526 0.808 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCN2CCOCC2)CCO3)cc1 1835439495 KQMYTOQBAYLXLC-VWLOTQADSA-N 470.570 0.670 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1835439940 HOHJFYAHPJBBTB-OAQYLSRUSA-N 498.690 0.803 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1835440574 BUEWANIBDLSLBY-SFHVURJKSA-N 484.663 0.821 30 20 JCED COc1ccccc1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682218 BYCXCUVSHIPNBU-XMMPIXPASA-N 458.559 0.976 30 20 JCED N[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1cccnc1 1835833268 GKAPAUVQZNNZEW-SQJMNOBHSA-N 470.570 0.627 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835873772 BSYAFIPXTUAOMH-QKKBWIMNSA-N 461.544 0.935 30 20 JCED CN(C)c1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1836113552 NEUZEXAAJKMXNQ-UHFFFAOYSA-N 471.514 0.934 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1836861601 ZFAIDAVPQUDHGV-LPHOPBHVSA-N 467.563 0.866 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837329407 CWXNMVBRGZJRRJ-JOCHJYFZSA-N 478.619 0.690 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1837403723 ZFHOWUSIZQLTKS-SEPYTNNBSA-N 469.579 0.929 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837445137 FUCIJZFMSSZPLP-SGCYSOCQSA-N 455.519 0.271 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837526343 CUIVUWJRJJETQT-JAXAIRCPSA-N 452.533 0.671 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1837528190 AQVKLJFUNPJDBG-QNRXVKNXSA-N 471.514 0.933 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1837563738 XYUPBTBPHWQWQZ-IAWFGPOKSA-N 497.552 0.700 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1837868943 RBBSSHOSLRAHLL-UHFFFAOYSA-N 460.535 0.782 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c1 1837949778 VUUIRUIUJZPBGW-HSZRJFAPSA-N 465.466 0.739 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(F)(F)F)nn3C)CCO2)C1 1838076461 HMXOGXPRPPGMFI-AUUYWEPGSA-N 458.437 0.547 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838581842 SCTMAURQVCUDBS-AVRDEDQJSA-N 459.503 0.084 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838604531 QSVKASJJBAKULO-HJPURHCSSA-N 487.513 0.340 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838766005 POOBAFRKIOICAK-TXRNYMQSSA-N 473.456 0.365 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1839108068 APAIOFJVOWNZLU-DGGJZMOXSA-N 480.562 0.220 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839139624 OBYOPXSTNPPHPQ-FOIQADDNSA-N 461.581 0.302 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)CCO2 1839262777 ZBWKMCKJPXCART-GOSISDBHSA-N 499.261 0.903 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(I)c1)CCO2 1839268456 SBWQOEGUEDAWKI-GOSISDBHSA-N 454.264 0.994 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)cc1 1839363253 QGQHNDWISXVZLP-HXUWFJFHSA-N 469.416 0.928 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839387916 ZTCHWIPWFHZHJT-FDDCHVKYSA-N 492.504 0.610 30 20 JCED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487440 IJDNVVIMTDZALT-HSZRJFAPSA-N 468.514 0.373 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1839800824 GFGVSZXQMSQNPT-DEOSSOPVSA-N 474.579 0.893 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1839838939 TZZLKCCPJGUJCP-IXFSTUDKSA-N 469.579 0.931 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]3OCC[C@H]3N(C(=O)OC(C)(C)C)C1)CCO2 1840036224 OUYVCEAXKZBHMA-IPRDPGLQSA-N 477.558 0.491 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039918 JYIWSWZRPMFUDU-AOMKIAJQSA-N 465.503 0.000 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1840292781 KVTJLNDSJZVOQC-QFIPXVFZSA-N 463.556 0.749 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1)n1cnnn1 1840478917 GFPHSWZQGSINKD-JLTOFOAXSA-N 493.446 0.895 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)NC(=O)OC(C)(C)C 1840795850 FZFIRABTGXPISX-RAZUEPIFSA-N 496.605 0.025 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840839720 BFRYYMSKXXJFJK-YDIMBITNSA-N 479.574 0.474 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840896710 OPPWLDCEZMZNQZ-QFIPXVFZSA-N 495.623 0.002 30 20 JCED CC(C)C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)N(C)C(=O)OC(C)(C)C 1840917530 YJBOUELNWJRCDA-UUOWRZLLSA-N 495.573 0.812 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1841298868 XHFQZRZNYXNUDV-KZXCBOLKSA-N 454.524 0.604 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844298432 QEMUTJSOZORPMM-SEPYTNNBSA-N 464.563 0.310 30 20 JCED CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196898 AZPMNKQLYDKONA-KRWDZBQOSA-N 478.546 0.478 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC(F)F)cc1 502049775 NCGAHMQJYLHVJI-CYBMUJFWSA-N 489.504 0.888 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccc3F)c2=O)CC1 513042801 TXWNCICIYALUJB-UHFFFAOYSA-N 499.612 0.267 30 20 JCED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 518077957 VBIXKFYHHSZFSC-UHFFFAOYSA-N 472.527 0.499 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 523257182 KQRZUALPIXDXMJ-UHFFFAOYSA-N 495.586 0.126 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O 524124517 TVWKQULNOCOGHH-UHFFFAOYSA-N 450.442 0.374 30 20 JCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c2)CC1 553901853 MZWNFYAGWHMCMM-UHFFFAOYSA-N 491.595 0.801 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 560085011 VBIYKPCXYRAVDO-UHFFFAOYSA-N 488.591 0.858 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 642709606 AHTYGVAJULEEDR-UHFFFAOYSA-N 476.559 1.578 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 642709698 RJPPYSHTBOVSJV-UHFFFAOYSA-N 479.559 0.028 30 20 JCED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 727233222 JVWYTFZMEFZCJD-ZDUSSCGKSA-N 473.287 0.926 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CC1 731006360 AVCBBLQHRVCQLZ-UHFFFAOYSA-N 470.389 0.897 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c1=O 838254845 GPZIDNBIHNNKDY-OAHLLOKOSA-N 485.562 0.250 30 20 JCED CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 857763606 RMHNJFKUOMVMAQ-INIZCTEOSA-N 476.555 0.581 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 894679593 PZAADZJISJZQLU-ZDUSSCGKSA-N 455.489 0.273 30 20 JCED CCN(CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)S(C)(=O)=O 918465433 MIPJJSAJJDMRAC-OQKWZONESA-N 487.604 0.226 30 20 JCED C[C@@H](NC(=O)C1CCCC1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919352941 BMDGGVOGYMLWKQ-MRXNPFEDSA-N 476.555 0.629 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc(C(C)C)n2)c1=O 1115869856 OEBYSXZYFMVOBX-UHFFFAOYSA-N 473.624 0.627 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CC(=O)NC4CCCCC4)CC3)CC2)o1 1459753471 KUJQMNIJNYANJT-UHFFFAOYSA-N 457.579 0.570 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1Cn1cccn1 1611711336 MQDDYTPBRZZTFL-VQIMIIECSA-N 470.559 0.910 30 20 JCED CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)CC1 1690866533 UYYXSKRAAVPAQF-UHFFFAOYSA-N 493.616 0.779 30 20 JCED N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)N2CCSCC2)C1 1731182525 NLWWFLWILWRSIM-SFHVURJKSA-N 471.584 0.221 30 20 JCED N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1731184051 ZDPYSUPBQYJDGP-RTBURBONSA-N 453.471 0.988 30 20 JCED CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1749996515 UYBSUPHYWSJTSV-IBGZPJMESA-N 489.602 0.973 30 20 JCED C[C@@H]([C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)S(C)(=O)=O 1750102856 VKVMKRRUTRXZMA-SJORKVTESA-N 490.586 0.845 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(S(C)(=O)=O)CC1 1760374246 KZCRCJAMWOQMRQ-AWEZNQCLSA-N 468.001 0.377 30 20 JCED CN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1768453704 PNPHXCDTUXNFPF-UHFFFAOYSA-N 450.547 0.796 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1778920891 GNVCZIIHYWISIK-ZDPRRSKRSA-N 498.552 0.980 30 20 JCED CC(=O)N(C)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779420126 OFVMYWIONXUCBL-KFOQOUPLSA-N 452.552 0.898 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)c1 1780173025 ROWWAWVBKCRSEX-KOSHJBKYSA-N 455.559 0.646 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781339977 KMCRDMRCXLOJKO-QGHYLCHJSA-N 498.577 0.621 30 20 JCED CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1781471592 YRQKDDRJMMNOGV-OAPWTZPSSA-N 469.608 0.513 30 20 JCED O=C(CNC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1782238594 OPCKYYDRDSANRF-ZZNDNKRXSA-N 478.468 0.708 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1783864652 FQXXGKSQZUYZTH-UNSMJCAQSA-N 484.619 0.932 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 1788659583 PQDHGKVGCMTSMU-MSNCFCOSSA-N 456.503 0.852 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789708868 IOQUWGFGKFLQIP-FZCLSBEQSA-N 462.572 0.462 30 20 JCED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789839802 KCBIKESWVVGUIE-VDGAXYAQSA-N 463.556 0.524 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789917562 GNSXAUSCNSMPDC-OKYOBFRVSA-N 469.579 0.835 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791560560 VSYAEUNBHYMZDR-NXOAAHMSSA-N 492.602 0.793 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1792267216 RUXNAKCGYGRTKJ-NQFGCGTESA-N 490.601 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1792490416 RZWHCUFDYSPEKB-NAQNXIHYSA-N 499.568 0.070 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793046021 AYNPHVQQMYBJFY-YQYRJILISA-N 469.538 0.782 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795078505 CSUHSLOGSIOKGZ-HIRMHNASSA-N 458.519 0.678 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)c1 1796429094 XTARYNBPSOEURC-JGDVQOIXSA-N 471.539 0.573 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C2CCN(C(C)=O)CC2)CC1 1797281074 XJHVMMUVTGNVCC-IVDSKFSHSA-N 490.645 0.890 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)[C@H](O)C1 1797309545 DNBAVBVGZNIKKL-VRJGGCKTSA-N 450.536 0.498 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ccc(Br)cn12 1797570241 AHBBZZSCYVMUEX-KSPBDQMDSA-N 461.272 0.388 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1797585301 QZKWMKSTBUPTKZ-RUQJZKNNSA-N 451.501 0.141 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1797708075 CFAHTJZYEYURHW-YZIUBNRHSA-N 483.569 0.656 30 20 JCED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)c1cc2n(n1)CCCNC2=O 1798495081 CWWCVYLILJPEPV-YGKRUVITSA-N 458.519 0.797 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 1799796838 ZQUYAEFXMPLBPP-VLTQWEFMSA-N 471.514 0.722 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnc2nc1O 1799919691 WJHOVTLREDJHIL-DUGXABPWSA-N 451.483 0.397 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2ccc(O)nn2)ccc1F 1800179348 XHFDKQYSGCNLCF-GPVSGQMNSA-N 453.474 0.958 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O)c1ccc(O)cc1 1800261987 FKNSBORNVBLRIX-QSNWEANLSA-N 471.510 0.022 30 20 JCED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc([C@H](C)C#N)c2)C3)c(=O)nc1O 1801970723 GMTSAGPISWTYRD-ZATISSGFSA-N 465.510 0.788 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803919342 OJWGGSKZXOZXBK-WZONZLPQSA-N 468.510 0.912 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3c3cccnc3)c2c1 1807048270 BFOHUVYCAOSMRM-SGXKBVARSA-N 474.525 0.742 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@@H](C)N2CCN(C)CC2)[C@H]1c1cccnc1 1807913570 LIHOOUWNPCXKFO-DHBQAXNYSA-N 468.602 0.582 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1808295274 DZZFRQDYNNYDPI-CRAIPNDOSA-N 453.503 0.884 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)CC1 1809664754 CJLPCBVVCXNDJG-GGAORHGYSA-N 483.617 0.533 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@@H]1c1cccnc1 1812408536 GXUUKVMUDFPWKX-MMOPVJDHSA-N 467.482 0.896 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)[C@@H]1c1cccnc1 1812881400 XBUHBGGXHYZTOT-WIVXBSKCSA-N 476.533 0.811 30 20 JCED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829051027 WPPHNXZUSAFPSF-LJFZDNNRSA-N 457.575 0.937 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1829267359 VLFMEVQHOOCICW-PXDATVDWSA-N 499.520 0.567 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 1829342627 MDSHIEWHUJDTQI-IIBYNOLFSA-N 483.612 0.801 30 20 JCED CCOc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1829540516 UMLOUHAIFJXDLJ-QHCPKHFHSA-N 459.547 0.832 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1829771296 QAAFQMZFIJXIFC-ASYDGFSTSA-N 469.538 0.479 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1829860726 FDSZGCCXZXLAQU-WZONZLPQSA-N 468.514 0.419 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(S(C)(=O)=O)c1)CCO2 1830176309 ARLBXUFEYGIAFG-YLNCNTMDSA-N 491.566 0.019 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)C(=O)O 1830458378 BAPUWTCNSABDGC-XXBNENTESA-N 458.515 0.010 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468001 BWWVAYPATFWKRO-GAJHUEQPSA-N 476.961 0.856 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468762 XJNUPZJVLLVPEJ-NZQKXSOJSA-N 477.945 0.299 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1830469891 JUNHKZFBIXEXAV-KNQAVFIVSA-N 480.970 0.725 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)cc3-n3nccn3)C2)C1 1831396553 FMEYZBPKIHSOKR-YADARESESA-N 467.526 0.684 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](S)C(C)C)CCO4)c(C)n2n1 1831491058 UJFJTPWFSPSYBG-NQIIRXRSSA-N 462.576 0.766 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831666309 WWABODUTWAAYLR-ROUUACIJSA-N 465.547 0.970 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833162069 IKZZTAHWDYJCNL-KOSHJBKYSA-N 489.573 0.945 30 20 JCED C=CC[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1)NC(=O)OC(C)(C)C 1833222330 ACUSACRWIPPJTE-KRWDZBQOSA-N 468.595 0.728 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)CCO2 1833566703 RTKFHLKQGGBBTE-AREMUKBSSA-N 494.523 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(OC)cc1F)CCO2 1833634241 FRCBZPVDMZQNFY-JOCHJYFZSA-N 465.478 0.809 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)COC)CCO2)C1)NC(=O)OC(C)(C)C 1834977375 HPPNVMPDWZFORP-JTSKRJEESA-N 455.552 0.949 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5nnc(Br)n5c4)C3)C2)CC1 1835342604 YFVOIEOMAMCASF-HXUWFJFHSA-N 489.330 0.866 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4sc(N)nc4c3)CCO2)C1 1835783266 AQLDMYMJYFXIRJ-NYHFZMIOSA-N 458.540 0.987 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1837311634 IZBIVTRHGBIGRG-FDDCHVKYSA-N 474.514 0.981 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837502713 MUARXXRXUANGSD-NZQKXSOJSA-N 491.472 0.262 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837563383 XLYMBJAGQVIXJX-NYNQOQISSA-N 452.471 0.740 30 20 JCED CN(CC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)C(=O)C(=O)O 1838404156 MUCBGWRNQMVOIN-BTVXTAIASA-N 482.534 0.057 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1838471573 RCXMLTUOIDILDH-OPAMFIHVSA-N 474.518 0.202 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)cc1C#N 1838644722 YOUUHUHEPWWFLX-XMMPIXPASA-N 481.509 0.813 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048675 MVZWXKRHFVVCBN-RUZDIDTESA-N 481.553 0.427 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)ccc1F 1839187387 ZMUVTLNXRHNYDB-DEOSSOPVSA-N 494.483 0.758 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)C2)C1 1840039716 FPFQXYBXJSWFGV-JOCHJYFZSA-N 470.438 0.094 30 20 JCED Cc1nc(Br)sc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042820 PICIWCJNUQYPKP-QGZVFWFLSA-N 472.317 0.372 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1840088315 YEVHPCRMJXLKIF-JLHGSKIFSA-N 455.552 0.947 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C4CN(C)C4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1840572616 JAMHNJBLJOTZCA-CYFREDJKSA-N 478.590 0.570 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1840820506 SYRVXSXJQYYGMO-YZIHRLCOSA-N 496.564 0.794 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840906823 KJZICDNHUZPRPQ-GAJHUEQPSA-N 462.547 0.909 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1840909065 LXJKGNIPMDNQNO-CJFMBICVSA-N 486.569 0.997 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1841604285 JDKYSAUGTXFRDQ-HOTGVXAUSA-N 451.520 0.685 30 20 JCED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)ccc1Br 1845458424 DGEYIEKVOVYKPT-GOSISDBHSA-N 463.332 0.788 30 20 JCED CC(C)(C)OC(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)(n2ccnc2)CC1 1846196877 ZILOXSVAAIUKGK-UHFFFAOYSA-N 485.541 0.901 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1[nH]nnc1C)C2 1846366185 XJIBRUVKYLYERW-HNNXBMFYSA-N 491.549 0.736 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 494569346 GVYUGKZEIDGIJD-UHFFFAOYSA-N 493.567 0.054 30 20 JCED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@H]1CCCO1 511066445 WIXDUHCKCXXZNO-QZTJIDSGSA-N 497.573 0.658 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC2)cc1 522474137 GNGZNEBRDHSABE-UHFFFAOYSA-N 490.563 0.400 30 20 JCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 600810968 DGAQEGKFTQIRPL-NXHRZFHOSA-N 458.540 0.955 30 20 JCED Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1F 609050198 NKWNCSKLXSSZMM-UHFFFAOYSA-N 498.500 0.453 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCS(C)(=O)=O 729672774 HVNGLYCWULQSEC-UHFFFAOYSA-N 479.628 0.325 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccc(C#N)cc3)c2)CC1 746543059 ZYUCEQJGFKTBOL-UHFFFAOYSA-N 484.534 0.884 30 20 JCED C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 758310488 DDGSQMONDJURMW-QHCPKHFHSA-N 497.533 0.985 30 20 JCED COCCn1c(=C(C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)sc(=Cc2ccnn2C)c1=O 914565089 SFAJZTDKGFXXFM-UHFFFAOYSA-N 494.577 0.268 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 916775323 PSCINMJUJYBKMU-UHFFFAOYSA-N 464.525 0.783 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc3c(cc2Br)OCO3)c1=O 917357008 XUTKRIRHGYMKPS-UHFFFAOYSA-N 492.351 0.829 30 20 JCED CC(=O)N[C@H]1CCCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 918913716 RYWRYVAFIBYXCA-IBGZPJMESA-N 476.555 0.629 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O 1286541768 LZZVSVBSLHPJLF-GFCCVEGCSA-N 486.414 0.000 30 20 JCED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1315055125 XUJSPIMGLYNAFY-UHFFFAOYSA-N 450.425 0.957 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 1465083421 WLMWHSLNBBOSTN-ZBFHGGJFSA-N 456.590 0.824 30 20 JCED CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1501208278 WFCDMHHHXZLJNM-GOSISDBHSA-N 475.575 0.645 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1760695867 NRHVCZHGCKHBGH-CVEARBPZSA-N 457.626 0.256 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778054848 DCOXUYRQTOAZRX-YGYQLRJYSA-N 489.492 0.726 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(O)O)C3)CC1 1780687980 VMIJNXFKLITEMF-WAIKUNEKSA-N 480.562 0.352 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1781046965 LZVKEBQQGQGFOL-RPLGYBLPSA-N 455.552 0.935 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1783180410 VPVIMFRKRYDPDK-YHEJKZAPSA-N 450.536 0.258 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1783925899 JIOMVGMKEJNOQR-OFSRWKALSA-N 450.513 0.933 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1784372057 KOLUTTUBYGBVLI-NFBKMPQASA-N 450.499 0.472 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)C1 1785596290 OZUBLJGWSXFKNH-QKCPIRFBSA-N 496.561 0.350 30 20 JCED CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785604674 LPTJNKBSYHXTGQ-KSFYIVLOSA-N 451.520 0.844 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc(O)nc4O)[C@H]3C2)ccc1F 1787430700 NPAKBXAMTYEEEJ-OWQGQXMQSA-N 455.446 0.735 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCN(C(=O)OC(C)(C)C)C4)[C@H]2C1 1788253999 PGFGMCYMHUHOHD-IEZWGBDMSA-N 457.531 0.860 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1788639180 IBNGUJIBAIPOAL-QWQQUQAHSA-N 455.508 0.262 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)no1 1788673564 ZBRKAGGRWKREKT-WFXMLNOXSA-N 481.509 0.643 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cc(=O)nc2sccn12 1789138628 NUIOQCIDFUYOSL-KJFZYZBRSA-N 489.554 0.878 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1789904145 GGXDWICJQJZGGU-OYSTVDSJSA-N 495.621 0.418 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C)n3)C[C@@H]21 1792261580 KJZQNCBZWAZUAF-BMFAXAFESA-N 459.547 0.930 30 20 JCED CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1792866360 SDRGFYCBQKPVQG-YIDVYQOGSA-N 459.609 0.949 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1793379994 HMVJHPVCZSKLRL-DACLVMHWSA-N 455.602 0.784 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(Cc2cccs2)C1 1793973681 UXQSYOLRTXVECC-WUGZJTLJSA-N 486.594 0.545 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(=O)n2O)c(C(F)(F)F)n1 1794358200 BBQUSMIEAQHDEQ-DPIQGUFMSA-N 477.399 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Br)cnn1C 1796747397 NYWPNEUABXYUCB-LXBXGBMDSA-N 466.336 0.244 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694289 YAOMWHJOMGYOEC-CYGHRXIMSA-N 461.519 0.365 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCNC(=O)OC(C)(C)C 1799255598 YUWRCOUCKFXCFC-VXIBKDFQSA-N 455.552 0.708 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1799334657 RDGVPNYGCIBJRU-AIYVTKCESA-N 484.553 0.726 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799349930 HVYXISGYQQWZPN-ZHCJQAHYSA-N 459.609 0.806 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799411829 WNCWWTWULTVZGH-DMUMMCEESA-N 474.562 0.565 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 1799803980 SJIIHLDGTDJFNQ-PCCFMPIBSA-N 484.234 0.788 30 20 JCED CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800781269 VQIIOUXYLYFBSE-RCJHGTSTSA-N 451.520 0.461 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801444083 BKAZEWJSFCSVGQ-LSFSDZQMSA-N 468.645 0.759 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2)NC(=O)OC(C)(C)C 1801930675 OPRBHDIXGCCJRM-NYUBLWNDSA-N 466.579 0.962 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801946818 RSTIURVKGFHOPB-PHSQPZKOSA-N 463.531 0.748 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C2 1802124869 MBBUXUMVZAJPOE-FCGDIQPGSA-N 478.590 0.655 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1802490978 WROBOGGHGJYQJA-WJCBHKMRSA-N 466.498 0.520 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN(C)C(=O)C(=O)O)CC3)c(C#N)c1 1822810008 PNKMFXASFQKOFA-CQSZACIVSA-N 485.522 0.721 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@H]2NC(=O)NC2=O)CC3)ccc1F 1822960867 KYWLTHDXXVMDKK-IUODEOHRSA-N 470.486 0.907 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=N)N)C2)C1 1828584613 JXRGYONAWDBBOD-UUOWRZLLSA-N 486.573 0.513 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)CCO2)C1 1830747763 NDUMCWJFQAKLRU-RNQXOCHUSA-N 491.585 0.879 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cn1 1831214887 ARRWUHPWMSIRLB-JOCHJYFZSA-N 461.540 0.110 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)Nc4ccccc4)CC3)C2)C1 1831387687 JEKSQCLYZYHDLS-CYFREDJKSA-N 469.538 0.900 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1831419860 RAEOHZDQUVLYMQ-KDLAUNOPSA-N 495.573 0.612 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1831433079 PHAANFQJGATMOF-UZUQRXQVSA-N 461.515 0.919 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](S)C(C)C)CCO3)C2)n1 1831491844 HACQQYYXHDJMFV-AVRDEDQJSA-N 466.604 0.698 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831991195 ZXBFZVMBPXWKMW-DHNIJCFSSA-N 452.552 0.646 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCN2C(=O)C=CC2=O)CCO3)cc1 1832015207 MSVAJEKDHDGYOM-VWLOTQADSA-N 480.521 0.262 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1cccs1)CCO2 1833027789 SLNMXBBUNGIDOU-QFIPXVFZSA-N 465.572 0.917 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)CCO2)C1 1833566537 ICPZTWIWSIHQBR-HJPURHCSSA-N 490.557 0.819 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)cn1)CCO2 1833644251 KHWYKYWMXJIPFD-YLNCNTMDSA-N 457.531 0.076 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSCC(=O)OC)C3)C2)c(O)n1 1833695663 FQINAJGJTZULJR-QHCPKHFHSA-N 493.582 0.882 30 20 JCED NC(=O)c1ncccc1C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833918869 RYYAFHPFILJYED-WTFDWONZSA-N 486.573 0.895 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834229553 AIYJNRSEALANIC-GAJHUEQPSA-N 477.562 0.960 30 20 JCED O=C(CC(F)(F)F)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1835327921 BEUMMOGJVVBGBI-GFCCVEGCSA-N 454.295 0.750 30 20 JCED Cn1ncc(I)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835357299 QZPWQFKIMFIFQP-QGZVFWFLSA-N 487.298 0.398 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1835768851 LPPMPRVGDJROKF-COATZDGTSA-N 463.579 0.613 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1sc(N)nc1C)CCO2 1835806515 MTSKTFKLHGZMJG-FQEVSTJZSA-N 452.533 0.613 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836887509 DANJNTLJSUJAAM-JOCHJYFZSA-N 455.519 0.081 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1837000608 TWUVJOSGXPLLAR-YUTYXFNWSA-N 471.514 0.933 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[S@@](=O)CC)CCO2)C1 1837247462 UDPSARVZMHWIPW-SHVMMJTCSA-N 499.630 0.518 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)c1 1837318935 DUQZSBJJNQARCD-LJQANCHMSA-N 455.389 0.734 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1837400287 BZPMMLAOMNQYRC-LLJLJFOGSA-N 499.605 0.292 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837502715 MUARXXRXUANGSD-REWPJTCUSA-N 491.472 0.262 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837528270 CPHIFZRGLROCFJ-PHPQDFSTSA-N 479.534 0.129 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccccc1 1837615141 BSCMKJAYPRGDJK-QFQXNSOFSA-N 479.533 0.565 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncsc4[nH]3)CCO2)C1 1837750294 VSGYLMHHSJMYLO-OAQYLSRUSA-N 460.560 0.976 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419790 VDOWJFPUHXZUHO-QVKFZJNVSA-N 467.519 0.448 30 20 JCED CC(C)n1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n1 1839488155 AUVRRUNKSITMGL-QHCPKHFHSA-N 478.513 0.991 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cncc(O)c5)C4)C3)c2c1 1839489413 UDIQQFWHQXBNRN-HSZRJFAPSA-N 462.466 0.919 30 20 JCED O=C1CSc2ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cc2N1 1839577578 ZFERYJLPHDHBCU-JOCHJYFZSA-N 456.524 0.609 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839667699 CRPCQSBCSBLTDF-IXFSTUDKSA-N 475.546 0.457 30 20 JCED COc1cc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc(OC)c1OC 1839804028 FRRWBNXLXVAMEA-JVPDDCAZSA-N 488.493 0.270 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1839881142 NBRGQZLEOGKLKJ-XAEMIUIASA-N 482.578 0.437 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1839889182 HFFOHMFWLDGIQK-HXUWFJFHSA-N 463.441 0.371 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840289623 GXQVHBMVRAJEBW-QMHKHESXSA-N 476.530 0.673 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2 1840715423 ASVLFJDSSWGHOE-UZUQRXQVSA-N 473.599 0.868 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1840729474 NLBOMZHGEGWTNZ-XMMPIXPASA-N 471.558 0.997 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC(=O)N(C5CCCC5)C4)C3)C2)CCC1 1840812336 LUNRJQCOIXNCTM-KOSHJBKYSA-N 458.559 0.928 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1840907132 PLCXUYHPHJLDKW-NTKDMRAZSA-N 489.573 0.715 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845104166 YBZYBUNWUDGLJD-IIAQQRLMSA-N 462.547 0.276 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)CC1 24860050 NKLPFPJCQYCTFP-UHFFFAOYSA-N 480.506 0.438 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc(OC)cc1 502014697 DTEFGPTURIHUDD-UHFFFAOYSA-N 467.551 0.160 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc2c(c1)OCCO2 515684817 JMIHQLVSQDNQSR-UHFFFAOYSA-N 461.499 0.854 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C1CCN(C)CC1 517983320 AJQPEOKLVURARN-UHFFFAOYSA-N 472.567 0.451 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccc(C(=O)OC)cc3)c2=O)cn1 522387616 XFLOSOHGGKPOPE-OAHLLOKOSA-N 495.561 0.556 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(S(C)(=O)=O)cc3)c2=O)cn1 524274907 FPMSFNXHFHRBHO-UHFFFAOYSA-N 496.570 0.488 30 20 JCED N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O 589159016 UUKIOBUBOWFKMR-UHFFFAOYSA-N 469.425 0.788 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 603796031 JDJASPRGXZOTDU-UHFFFAOYSA-N 485.566 0.425 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1-c1ccc(OC)nc1 608883862 LFABSYWWYBNQNA-UHFFFAOYSA-N 496.545 0.585 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C(F)(F)F)c2)c(=O)n1CC(N)=O 608972102 XZOCJEMRVNWOQJ-UHFFFAOYSA-N 488.875 0.333 30 20 JCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)c1nc(N)nc(=Nc2ccccc2)[nH]1 613295456 CRSHGSVKCNOOCB-INIZCTEOSA-N 482.526 0.469 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(CS(N)(=O)=O)CC1 729270551 AXUJUPNRGLJLGF-INIZCTEOSA-N 456.590 0.811 30 20 JCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 731409366 LGWYAXYGNAHSHQ-UHFFFAOYSA-N 498.517 0.501 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 749503605 DTURHKYDLXAECL-UHFFFAOYSA-N 454.508 0.357 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 913732207 MIOVJQLBQFCDPM-INMHGKMJSA-N 478.571 0.795 30 20 JCED CNC(=O)[C@H](NC(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 918819549 WBEMJFHPACGHCS-HXUWFJFHSA-N 472.523 0.652 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1299134383 PAAVOIZMKJCAEK-MSOLQXFVSA-N 473.559 0.192 30 20 JCED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 1314923567 MEXMLOKYIGCJFL-AUSIDOKSSA-N 487.630 0.991 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 1315654127 NSEAMEVVRAWDJW-IBGZPJMESA-N 469.546 0.759 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1547475181 MHWBXDQAVBZSHS-DEOSSOPVSA-N 467.574 0.959 30 20 JCED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)CC2CC2)CCO1 1555994697 KAZFZWUKYNDTSX-OAHLLOKOSA-N 464.573 0.823 30 20 JCED N#CC[C@@]1(O)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1638968603 RSLWLPMOVRIZBI-HXUWFJFHSA-N 452.508 0.316 30 20 JCED COCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1730637575 ZJTWEXGBBGPVJJ-DBVUQKKJSA-N 470.596 0.529 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1777963790 QTXOGRXBDQWOEA-VOLVWJTLSA-N 469.579 0.977 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(C#N)cc1)C2 1779197044 FCYIOIFXJXQORQ-JMUQELJHSA-N 458.515 0.679 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779320451 WSLUGDJAOGNOHG-PMAPCBKXSA-N 482.578 0.437 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)cc1 1780056059 PJLJJBYLWCIQHG-XMMPIXPASA-N 458.478 0.647 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)csc2n(C)c1=O 1780922076 UXMPGXGGKOQGJU-QFIPXVFZSA-N 473.555 0.221 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780938810 PLBVIRWSKPMCHJ-VFNWGFHPSA-N 463.560 0.522 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)C2 1781696489 CIUIXOZXJNYJIJ-XYEVPUEMSA-N 461.559 0.892 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1 1783129534 MPDKBMJZRVYJHU-OBWXTZQISA-N 491.589 0.963 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)[C@@H](O)C1 1783478907 VEQUBYKZYBJFKJ-VMXHOPILSA-N 464.563 0.888 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784500262 LHUGNSNVAJSCIV-TXTZMMAHSA-N 455.552 0.443 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1785578427 ZLSPNUJGJCIYJO-GKNRWODDSA-N 474.558 0.568 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CCN4CCCC4)nc3)[C@H]2C1 1787556515 QZYMVNRLLDABOI-JBACZVJFSA-N 454.527 0.401 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788638781 GBENGNQWUPCDHQ-IWFBPKFRSA-N 483.569 0.273 30 20 JCED C[C@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)C(F)(F)F 1788653280 ZWVWGDYYWRVUOM-WOJSHALKSA-N 451.442 0.808 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Cn3cncn3)[C@H]2C1 1788725694 XBLWPQIMLLLREG-CXQPBAHBSA-N 488.589 0.811 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1789838116 ARSSBBFRLJDLGU-VJANTYMQSA-N 478.590 0.799 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)[C@H]2C1 1791195373 TXEYMSCMKDSTIR-NXOAAHMSSA-N 453.536 0.999 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791329687 AAIIVRNVDBKAEY-YTEZWJELSA-N 479.574 0.376 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)NC2)N(C(=O)OC(C)(C)C)C1 1792586900 YDCDGQGNYGQPHG-JNIAIEOXSA-N 476.574 0.668 30 20 JCED CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1793285979 ZAPHFIUUJVDPLG-HGKCTWBKSA-N 477.562 0.253 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)NC(=O)NCC)N(C(=O)OC(C)(C)C)C1 1797697731 QRPBVXRAVDTTOI-ZSXDVEMLSA-N 493.605 0.849 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn[nH]c1C(F)(F)F 1798713100 NKZPOZRIRXPFAI-YWVIFJGQSA-N 464.404 0.977 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1799248094 RJFFAWGPLUYVPA-BASYENTBSA-N 452.508 0.336 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-n3cncn3)c1)C2 1799306079 IMHFNOMARMENBS-RMFSNUHRSA-N 453.499 0.980 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1799393145 BLGGLAFPUUSULW-XEZGLNCPSA-N 482.578 0.747 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1802159572 GFFVXBUSEABZHQ-YYIAUSFCSA-N 492.577 0.222 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1804346412 PKARSRXSSOPLCM-XJYHFTAXSA-N 452.471 0.398 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804356500 ZUOXWPNSTXYLFQ-JTDSTZFVSA-N 457.487 0.195 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c(C#N)c1 1808178334 DCUZGYHZDRUUFZ-RLWLMLJZSA-N 495.580 0.497 30 20 JCED C=C(C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1)C(F)(F)F 1816674496 RCMMEXFRRYKZLS-ZETCQYMHSA-N 454.394 0.613 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1828284444 KBJXTQBHAZZXMW-YDHLFZDLSA-N 492.602 0.565 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828513625 GKCYDJSIPOEKHG-MBSDFSHPSA-N 456.547 0.274 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828515219 UFIWIKGYPLQHME-HSZRJFAPSA-N 480.529 0.675 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1830778780 JSHFUPHDFCEYGA-AVRDEDQJSA-N 478.571 0.422 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885980 PAIJEFMGSZFWAQ-HTAPYJJXSA-N 453.536 0.132 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1831997713 FLCGFBBGBHFQQB-DVECYGJZSA-N 491.589 0.888 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCCN4C(=O)c5ccccc5C4=O)CCO3)C2)CC1 1832540426 BSTAOTIODPMEEX-VWLOTQADSA-N 480.521 0.823 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)on1 1832574963 GQUJMZWJRXZUGN-QHCPKHFHSA-N 454.483 0.933 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832751315 RDZTUFWOBVFWJZ-GCKMJXCFSA-N 467.613 0.871 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1noc(C(C)C)n1)CCO2 1832784309 YZRQYYJMMMGLQQ-QJKPHDSHSA-N 461.519 0.050 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1833314990 JVTXEYYQYRNCTB-XMMPIXPASA-N 479.493 0.201 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)c(O)n1 1833699617 FTUKNYXZZCUZCG-RUZDIDTESA-N 486.569 0.988 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836205635 AZQJVQPWVMIVRQ-JTSKRJEESA-N 478.550 0.204 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn(C)c(CC)c1I)CCO2 1836232821 FVAFRRNWMPLJGX-GOSISDBHSA-N 486.310 0.290 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320777 NYCDXCJLRDCVCQ-RNODOKPDSA-N 483.447 0.554 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)c1 1836780367 AVNNQRXSSCOLEG-RUZDIDTESA-N 492.536 0.581 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1)c1ccccc1 1837274867 VBTDLWLOYGIUQS-CJFMBICVSA-N 480.569 0.973 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837317934 DJQGKYBNDWFBAM-FQEVSTJZSA-N 476.448 0.247 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1 1837531445 MXALEQFTELXDJK-MBIGCVILSA-N 477.518 0.474 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837770723 LREKIRNTCUALRH-WGBQGACBSA-N 481.500 0.785 30 20 JCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CS(=O)(=O)N4CCCC4)CC3)CC2)CC1 1837790310 CNTPSFKQJTUWAB-UHFFFAOYSA-N 452.577 0.714 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(Br)c3)CCO2)C1 1837810346 FLHAGITVIWFRKJ-QRWLVFNGSA-N 466.332 0.952 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)nn1 1838352387 HBHJCIORODLONS-HSZRJFAPSA-N 469.473 0.809 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838499034 LSANGEWKXCYNRB-XMMPIXPASA-N 467.526 0.928 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838508534 BZVIXDCKUSDHAV-ZJHLSYPMSA-N 470.511 0.868 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1838604884 YNBUKGSCFMXWFY-NRFANRHFSA-N 456.459 0.052 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838724950 XMJLUFDWLFSJFE-INIZCTEOSA-N 456.499 0.287 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)c1 1838905458 HBZYZALZSQKPFH-DEOSSOPVSA-N 465.510 0.776 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CNC(C)=O)C3)C2)c(C#N)c1 1839131758 XLTRYPDAEGHSAP-VWLOTQADSA-N 486.569 0.728 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839185837 NLZCKJXAEOQGEG-MBSDFSHPSA-N 492.577 0.594 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c(C(F)(F)F)n1 1839235660 FZDNQWODYNZDPD-LJQANCHMSA-N 479.419 0.334 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C(=C/c1ccco1)NC(C)=O)CCO2 1839390397 MDCSHXUFTOZJMI-VGTKIRILSA-N 489.525 0.722 30 20 JCED Cc1cn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)c(=O)nc1O 1839422151 FLQQZDZIHJZGNB-HSZRJFAPSA-N 485.472 0.038 30 20 JCED Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cc1O 1839487464 JWDZRNWPMDLYQO-JOCHJYFZSA-N 465.470 0.257 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839637056 VCCDUHUXILYDCS-XYOUCOMCSA-N 479.537 0.921 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1)c1ccccc1 1839703359 DYBQOWOFHUWVRV-CPJSRVTESA-N 485.537 0.183 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n(-c2ccccc2)n1 1840041898 NYMQUZMWUYJUDJ-QHCPKHFHSA-N 452.467 0.339 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1840108128 MZHAJBDAWHYXSB-QZMQVMSPSA-N 497.593 0.359 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1840163599 VXUDDMSJSYYNEE-FOIQADDNSA-N 461.581 0.302 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1840167937 WMSVGYUEASRQLO-JTSKRJEESA-N 453.536 0.132 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1840176593 NKHQRJSWWSEHER-GAJHUEQPSA-N 497.593 0.361 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccc(O)cc1 1840220621 VVLCVOSDUKVZND-FNZWTVRRSA-N 495.532 0.271 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c1 1840712250 BPTIJNAQEUTLQW-AVRWGWEMSA-N 480.521 0.699 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1840912704 MBJKEUDTWHHVJY-UZFJHSOTSA-N 490.561 0.355 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)C(C)C)C2)C1 1840912778 QSGNBAILZXZZAV-ADCHYERDSA-N 481.590 0.929 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841892911 HDIUPEFZVCYBEK-JLCFBVMHSA-N 461.519 0.211 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)cc(Br)c1O 436796734 KQTHTKMWLUBQIH-UHFFFAOYSA-N 450.314 0.705 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O 504688203 XGFTZSJQRXEFEM-UHFFFAOYSA-N 472.882 0.289 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)cc2)c1=O 505009863 YKPPDOIVHDRWDX-UHFFFAOYSA-N 470.595 0.670 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CCN(C)CC1 518712507 CAQDXGGXFVZNSM-UHFFFAOYSA-N 450.564 0.917 30 20 JCED COCCn1cnc2c1c(=O)n(CC(=O)N[C@]1(C#N)CCSC1)c(=O)n2Cc1ccccc1 603885410 GQUIKWMQFVUIER-QFIPXVFZSA-N 468.539 0.570 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O 608911777 PMDTZZODTJQRKT-UHFFFAOYSA-N 463.357 0.433 30 20 JCED CNS(=O)(=O)c1cccc([C@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 727407503 SPMPYVLDJPPMEU-ZDUSSCGKSA-N 450.542 0.901 30 20 JCED C#CCOc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 731111137 KDCORUVQQQSTBZ-UHFFFAOYSA-N 478.552 0.884 30 20 JCED CCc1ccccc1NC(=O)CNC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748575474 GXHJQGBRRZKWHD-UHFFFAOYSA-N 458.496 0.586 30 20 JCED CN(C(=O)COC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C1(C#N)CCCCC1 750506982 DFRZHINNHJQHLY-GOSISDBHSA-N 499.611 0.996 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1=O 915206373 URBSKCYAOXINRN-UHFFFAOYSA-N 479.534 0.083 30 20 JCED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918267648 XHUUIOMRIQWXKJ-XLNRJJMWSA-N 487.604 0.226 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1297788362 YUSHKIPFUUZOHQ-OAHLLOKOSA-N 450.521 0.534 30 20 JCED CN(C)C(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1298002441 WRIFYYDDEXGIST-SFHVURJKSA-N 486.602 0.460 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1315062187 JUXKNMTVOGKLDK-OAHLLOKOSA-N 467.559 0.920 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC(=O)N1CCOCC1 1510201631 VUZGDHCTDPANIV-DNVCBOLYSA-N 453.569 0.267 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[S@@](=O)C(C)(C)C 1510218263 MPJYFXMYYQYCLN-IDJQYWQCSA-N 471.653 0.612 30 20 JCED CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1629766281 SFLGILJPFKKJPR-INIZCTEOSA-N 456.542 0.440 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCS(=O)(=O)c1ccccc1 1690994038 UXJOWJGSAXSXOX-GJZGRUSLSA-N 454.578 0.958 30 20 JCED C[C@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccco1 1692813758 LKUCZCZANGJSRW-UZLBHIALSA-N 464.548 0.852 30 20 JCED COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1712007799 OBRHIMVWHUJFHJ-PMACEKPBSA-N 465.507 0.857 30 20 JCED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1712692049 JKQXTOCGQRORQS-AEFFLSMTSA-N 478.600 0.722 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N 1729223873 TVSSVWLOBCNIRN-CQSZACIVSA-N 454.578 0.884 30 20 JCED CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1729744384 ZKNRAMDTQLOWRY-HNNXBMFYSA-N 461.596 0.793 30 20 JCED CC(F)(F)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1751184731 XFBOROXCMRHVFV-JKSUJKDBSA-N 473.550 0.833 30 20 JCED CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1760803906 SDSABGQKMIEKIU-INIZCTEOSA-N 488.636 0.564 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2nccnc2C(N)=O)C3)ccc1F 1780755470 HAOQJYZFWYYYBI-HOYKHHGWSA-N 480.500 0.956 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)CC2)CC1 1781108474 GFTQSLFDVQKPQH-GVWIZHFKSA-N 463.579 0.125 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171464 ZLAJVUMITQKKNT-POUSAUBHSA-N 452.511 0.798 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2ccccc2=O)CCO3)c(C#N)c1 1781175082 XQSHAFJGKLWRBZ-XMMPIXPASA-N 450.495 0.801 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1783272077 KTRSQMWHTSMSJV-AKKWTUJNSA-N 492.617 0.693 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783494571 XXVVBGHLASQFGV-KYFSVPJHSA-N 464.522 0.585 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](COC)NC(C)=O)CCO2)C1 1783768932 TYKFKRVZVWVBRH-IEGUWTFLSA-N 482.578 0.437 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1783834719 PZAYMTVZPPTSIH-FOIQADDNSA-N 472.564 0.058 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CN(C(=O)c4ccccc4OC)C3)[C@H]2C1 1783890832 GFBNOXWVTFQBFG-GPFNJZLUSA-N 483.565 0.785 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089894 JBYGKOULGNSIIC-HTAPYJJXSA-N 460.535 0.674 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1784480982 BOPDKNLODIGBPA-YTEZWJELSA-N 479.574 0.376 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1784785926 OZZIBAMBHYFQRJ-MUGJNUQGSA-N 480.606 0.768 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786706384 UAPPUSIKLBETRU-ADHGMGHFSA-N 450.536 0.640 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1786892018 MUJYHBJYRXYHGR-OYSTVDSJSA-N 493.605 0.125 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4CCOC4=O)[C@H]3C2)c(C#N)c1 1788137490 TYNUQQMRGUEBJQ-YYWHXJBOSA-N 470.526 0.931 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)CNC4=O)[C@H]2C1 1788442961 UZINKLPHKVWROG-VDGAXYAQSA-N 453.543 0.805 30 20 JCED N[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)c1cccnc1 1788658618 RSOREIHCEYJOSX-LKCVFRFISA-N 459.547 0.980 30 20 JCED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)cn2[nH]cnc(=O)c12 1788660586 YXOABNORAHRUQH-CMXBOJOXSA-N 486.529 0.453 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(S(C)(=O)=O)c3)C[C@@H]21 1789954120 STYHVISIMSTVDO-LNMJFAINSA-N 466.560 0.879 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(C(=O)OCC)CC3)[C@H]2C1 1792142402 CCMFDXQGOCRNNJ-YJTGKBQXSA-N 476.574 0.693 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(-c3ccncn3)noc1C)C2 1792490167 MZXLPDUZEFJLCW-NVSIEKKMSA-N 466.498 0.502 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1792520812 VEFMMIDZAISCCR-TURABVPUSA-N 463.531 0.721 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1793344188 JILQXDBYFVDMQO-RGSMHCDZSA-N 493.601 0.622 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C 1793488988 JLVDLKXXOREICJ-YDRVBMSGSA-N 479.574 0.639 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)CC1 1793664615 NBACGLLEEDSTCY-IZZQQSIFSA-N 487.557 0.852 30 20 JCED CCn1nnc2c1[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)CC#N)C3)CN(C(=O)OC(C)(C)C)C2 1794108331 JJPBAEASRMBTGQ-YYAJDYIMSA-N 487.561 0.636 30 20 JCED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1800492658 RAQBRFAAHMLMEX-JNNRSPCRSA-N 474.583 0.643 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](COC)NC(C)=O)C3)N(C(=O)OC(C)(C)C)C1 1801102513 QTVXTVNJPQZIOZ-UJMXGEILSA-N 494.589 0.293 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO)NC(=O)OC(C)(C)C 1801736375 UGBRVCJMKWSVLL-HAGHYFMRSA-N 482.622 0.771 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[n+]([O-])cc1)C2 1802139595 HIFHRPWXHHHKPF-HUIKVJECSA-N 472.542 0.993 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803918778 VWJLYNKRMAESPD-NPPFBWRTSA-N 454.527 0.976 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1)C(C)(C)S 1808271367 NNOOGKOFSHCMPB-XMTFNYHQSA-N 494.662 0.975 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2C(=O)OCCO)n[nH]1 1820198429 MLGKVMNJEPHAIW-QGZVFWFLSA-N 454.439 0.953 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1822222734 PNMNTGBGDJECCT-LSDHHAIUSA-N 491.501 0.946 30 20 JCED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)c1 1823667839 SURVAZGAVCUPME-JTQLQIEISA-N 479.457 0.819 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)[C@@H]3C[C@H](O)CN3)CC4)c2c1 1823892293 ZHRUFPCWRQNOJS-WQGACYEGSA-N 451.512 0.840 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ncn3nc(N4CCOCC4)ccc13)CC2 1825665544 SGKYFGLOKWVBBT-CYBMUJFWSA-N 495.521 0.336 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1F 1825674795 GHZAGPJCJPAXRI-NSHDSACASA-N 465.484 1.000 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1826823321 VKACGHIVILCILL-UDZNCULOSA-N 451.568 0.728 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)C(O)O)CCN3C(=O)OCc3ccccc3)C2)CCC1 1828527032 LJTTZVBZHWODBF-HSZRJFAPSA-N 456.499 0.443 30 20 JCED C=CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1828585755 ZDZVUMWBHSSBCE-IQGLISFBSA-N 497.552 0.906 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1828804332 MPRPSAHWNVDEIO-JTSKRJEESA-N 455.471 0.461 30 20 JCED CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1 1828920873 AKNHRMUYPMRJCW-XMMPIXPASA-N 467.526 0.878 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)CCO2)C1 1829638342 YNRZPHAKUMJVDI-XMERXJNXSA-N 499.564 0.543 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1830353350 YZVSDROQLPHHPU-HDKOVMQUSA-N 489.569 0.213 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)c1 1830458415 BWDVPSNVTGTIRS-VWLOTQADSA-N 464.522 0.809 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)no1 1830460495 PANBSQSMBZMJEY-VWLOTQADSA-N 495.536 0.674 30 20 JCED CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830629772 NZAYDOJKJJRYGT-XXBNENTESA-N 455.515 0.912 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)nn1C 1830955261 JNKWIJUXZYVFKM-XMMPIXPASA-N 477.525 0.789 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CS(=O)(=O)CC)CCO3)C2)c(O)n1 1831333371 HZPSVHUDQCLAPB-JOCHJYFZSA-N 481.571 0.411 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3c(C)cccc3C)C2)C1 1831396892 LYZPIKZHAKHDGC-YADARESESA-N 457.527 0.737 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(=O)OC(C)(C)C)C2)C1 1831402550 KDMVNISVCWUTMM-IEGUWTFLSA-N 467.563 0.784 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833028982 YXBFSIAEPMCGRP-CKNGIIGNSA-N 491.545 0.250 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1833105444 ISJSWRRTYJRDOS-CYFREDJKSA-N 487.557 0.887 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c(Cl)c1 1833475196 KMSUAVKUHIJPKK-JOCHJYFZSA-N 472.885 0.994 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833482912 KFCGDGSPLCEYGB-RPNTZMPASA-N 469.652 0.710 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3conc3C)CCO2)C1 1834341562 PWZBGQJVAPDCKG-MBSDFSHPSA-N 476.530 0.970 30 20 JCED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)CC1)C(=O)O 1834740295 TZJQOVNCXRWMPB-OAQYLSRUSA-N 471.558 0.815 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CN(C)C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1834945498 OYQAGUSXVCQCBD-MBSDFSHPSA-N 466.579 0.570 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1835677087 IDLHVPFPVSWISC-JOCHJYFZSA-N 455.519 0.081 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1837396464 HOWCZJNPEXYOGG-CJFMBICVSA-N 486.569 0.370 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1837443547 FSTVCFRNMVYNBI-PXYXSCDOSA-N 451.474 0.902 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837837759 LNJLNVKNSKMMNR-CNSRZQHFSA-N 450.927 0.672 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NC(=O)c1ccc(Cl)s1)CCO2 1839055725 YEUOHIZZSBSZQE-HXUWFJFHSA-N 453.948 1.000 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2C)CCO3)c(C#N)c1 1839215252 GOXXOCMVPZVUHE-GBXCKJPGSA-N 470.526 0.187 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1839225955 ZPEOSODWJTYBOA-KSFYIVLOSA-N 491.570 0.935 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1839227392 DQKLXZDHSWLSSC-MBSDFSHPSA-N 476.578 0.590 30 20 JCED CCOc1ccc(Cl)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839347009 BNEBDTGIGGNENY-NRFANRHFSA-N 450.875 0.897 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839420884 KRETUCRJGSCQNR-UKPGIYTDSA-N 451.520 0.926 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CSc5nc[nH]n5)C4)C3)c2c1 1839489075 MUNMYQYVVNIIRJ-NRFANRHFSA-N 482.526 0.415 30 20 JCED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)CC1 1839489288 WHRKLNXQRQIACY-QFIPXVFZSA-N 467.482 0.458 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CC4)CCO2)C1 1839608362 ZVSZQISPRSHGJL-MZNJEOGPSA-N 455.511 0.680 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]3OCC[C@@H]3N(C(=O)OC(C)(C)C)C1)CCO2 1840036221 OUYVCEAXKZBHMA-GSRZOBFVSA-N 477.558 0.491 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039919 JYIWSWZRPMFUDU-KSFYIVLOSA-N 465.503 0.000 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3OC(F)(F)F)C2)C1 1840039981 GJZYFOVPSZNKGZ-LJQANCHMSA-N 456.373 0.743 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1840294559 LCGRJWHLUQJUTQ-XMSQKQJNSA-N 453.536 0.480 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1)c1ccccc1 1840320630 SRIAKIVWIABHGM-RDPSFJRHSA-N 457.527 0.996 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840771773 OJXINFXMTBUQKC-IBVKSMDESA-N 497.548 0.759 30 20 JCED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)C(=O)O 1840839013 KCMMNSNOMYYGJL-YCVYBEAYSA-N 453.455 0.535 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(C)C)C2)C1 1840906691 HFMSCBZDUJJHOO-JPYJTQIMSA-N 467.563 0.784 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C1 1842872596 RHPOGSPPPJVWDZ-IAGOWNOFSA-N 494.637 0.919 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(N)=O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843321656 NJRSYMHEANFFSP-GOSISDBHSA-N 498.536 0.513 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C2CCN(C3CCN(C(C)=O)CC3)CC2)C1 1843951597 TVKNVHHQFAHQDR-WAYWQWQTSA-N 485.629 0.771 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1847089870 PMFWGZFCYGUVRA-JAUGKAAISA-N 481.550 0.488 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c(I)cnn1C 1847261660 CFTGORXTFQNHDJ-MRYXHSKJSA-N 483.310 0.699 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1847804965 KMAOOMFTYWBEFN-SZMVWBNQSA-N 460.531 0.992 30 20 JCED C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 512563208 CRAHHXLJRCKLEQ-INIZCTEOSA-N 458.558 0.531 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 516029673 MGSRVYBKPLOOSE-OAQYLSRUSA-N 499.593 0.802 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCNS(C)(=O)=O 524282241 XWHPIOWMCNIEBE-CYBMUJFWSA-N 481.571 0.725 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c1=O 589160892 PJXZNUDIGJYHSH-UHFFFAOYSA-N 463.581 0.586 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828870 OSNHQJLIJLNYSH-UHFFFAOYSA-N 483.531 0.997 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CCC)CC1 728533769 SSKGNRKIZRYWHV-UHFFFAOYSA-N 454.531 0.538 30 20 JCED N#Cc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 746565708 PHVSUYVIVUKMPB-UHFFFAOYSA-N 456.480 0.152 30 20 JCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 763275670 LTMCJEGAEIUGKR-UHFFFAOYSA-N 475.527 0.992 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914668371 QPVORVBFZDNRRF-VBKZILBWSA-N 450.517 0.407 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)CC2)o1 915364031 SHJRMUTXWCLURE-SFHVURJKSA-N 483.460 0.306 30 20 JCED CS(=O)(=O)Nc1ccc(C(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 916420633 RFEZYIYVWUAVCD-UHFFFAOYSA-N 465.509 0.913 30 20 JCED C[C@H](OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)NC1(C#N)CCCCC1 916533034 FMMRBVKHDBAXQY-HNNXBMFYSA-N 464.544 0.941 30 20 JCED N#Cc1ccc(NCC(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)cc1 919628119 SDHBCQGZSAPTIW-UHFFFAOYSA-N 472.523 0.851 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC2=O)cc1 1115909544 UCMSJSDXFGEQMN-LJQANCHMSA-N 482.566 0.574 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1303811732 RJCXWAQLNBUZTE-OAHLLOKOSA-N 461.548 0.255 30 20 JCED CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1360370365 JYXCWSLHSZZELU-SIKLNZKXSA-N 475.571 0.997 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(N2CCOCC2)n1 1596783322 PAKVTCXSPZFAEU-HOTGVXAUSA-N 462.580 0.764 30 20 JCED Cc1cnn(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c1 1612343065 JHXJXWBDTQTBKJ-CRAIPNDOSA-N 452.516 0.258 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1620168847 UJQKXPOJAVZZJO-QGZVFWFLSA-N 494.599 0.245 30 20 JCED C[C@H](O)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1692811604 IKDRWWVDZMCSMN-IPELMVKDSA-N 476.559 0.441 30 20 JCED CC1(C)CCCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1692857710 KLOOQRALBKMJNZ-QZTJIDSGSA-N 481.623 0.462 30 20 JCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)[C@@H](C)C1 1705986978 ACJZXEXTNYJVCJ-INIZCTEOSA-N 457.560 0.909 30 20 JCED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1742233491 VPSOUKFXDKLYIN-JXFKEZNVSA-N 479.538 0.108 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760374636 UQFHBQMAAGPAQE-HNNXBMFYSA-N 497.043 0.224 30 20 JCED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1763040862 ZGBSZUSOJHBMCD-HNNXBMFYSA-N 461.548 0.287 30 20 JCED CS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1770362481 PHQWMTYDEQWROH-INIZCTEOSA-N 463.539 0.669 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)C1=O 1779103353 UGCLMSAXSMTXLI-DMSMLWMESA-N 470.482 0.794 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1779402296 FJBPFEILZSILDW-DNVFCKCGSA-N 480.562 0.277 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1779473820 LVOFKDDQVSYHQG-PRCFCKQXSA-N 454.531 0.803 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1781161021 BUMWTQJVFVTAEA-UUOWRZLLSA-N 493.605 0.784 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781297297 YBGYOQCKJLBAOD-HTAPYJJXSA-N 462.551 0.968 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1781689299 XGANYSNAMKWBPW-OJTSXVHVSA-N 469.604 0.795 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 1782011273 VUFVHCWFWDEYDY-VGOFRKELSA-N 455.446 0.622 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782640097 PNBDRZCMWJMONE-MHECFPHRSA-N 487.557 0.861 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c(C(F)(F)F)n1 1782956903 IFJOSFCURHMTLX-KXBFYZLASA-N 486.472 0.993 30 20 JCED CC(C)(C)OC(=O)NCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783270523 FOXUOVOQSJZHKI-OPAMFIHVSA-N 451.520 0.893 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccc(O)cc1 1784117806 NCFGGUDUMGKKTI-DFBJGRDBSA-N 465.506 0.644 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784596623 BKARQXCZIKKODR-HOIFWPIMSA-N 477.566 0.924 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)CCS(C)(=O)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1784746464 RNAHHBLNYHYPJN-JTSKRJEESA-N 485.603 0.817 30 20 JCED COc1cc(N2CCC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC#N)[C@H]4C3)CC2)ncn1 1786701116 PPZVYWHYMZKUPM-FHWLQOOXSA-N 456.547 0.985 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1)NC(=O)OC(C)(C)C 1786901423 XESGIRXYCXDHIX-APAFKAMOSA-N 496.605 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3Cc4ccccc4C3=O)[C@H]2C1 1788146526 ASZKDHMJWWTEES-ZNYPETIFSA-N 480.565 0.871 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)[C@@H](O)C1 1789810931 JLDPKMBBYHAOGY-ATIWLJMLSA-N 462.547 0.498 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1789890001 BXRQERCPUVKBBO-VJANTYMQSA-N 497.589 0.751 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncn3C)C[C@@H]21 1792261200 BRVPRHUQFNUACE-BMFAXAFESA-N 459.547 0.930 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792778261 ZZBIXWBITUXHMB-FOZRXDQQSA-N 473.570 0.738 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1793088861 NKNHMUOIGNTNNI-KWWJQKEASA-N 480.562 0.955 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(S(C)(=O)=O)ccc1F)C2 1793346559 UKMRIQBVADGMNO-BKEDOTJMSA-N 452.504 0.471 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC13CN(C(=O)OC(C)(C)C)C3)C2 1793347378 CAHWJVQJRUEYGH-QTMHVTGLSA-N 461.559 0.871 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795278906 POYZPIUHYIQTMP-HVJVJISESA-N 483.565 0.998 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-n3cncn3)c1)C2 1797744492 URKPSEWRGQLCEK-CUCJPJOHSA-N 451.531 0.942 30 20 JCED Cn1ncc(Br)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797812347 REGKFZFJGVSEBS-CWEBUXBASA-N 484.351 0.915 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798924226 WRCJEOQKMKNTBC-KOUHRCEDSA-N 450.499 0.232 30 20 JCED COCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236301 HHEHMGFUMBVPDM-ALXJQNPVSA-N 450.536 0.763 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799744758 BNUWAFYFOJXIPP-FRQROOTJSA-N 452.508 0.228 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C 1801157424 NGDCRFSDFPWIRW-BYWKQZFESA-N 490.557 0.361 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2)NC(=O)OC(C)(C)C 1801930737 MNIRWXXPXSZPRG-WRJHFWDFSA-N 496.605 0.086 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ncc[nH]1)C2 1802126222 JEZRJJXILYECOB-CLWJZODNSA-N 459.547 0.849 30 20 JCED C=CCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1813060917 LOULTPBNXLXNBP-BMQTXXJKSA-N 471.583 0.844 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@@H]1c1cccnc1 1813335195 QFCDCLMTAZOLKE-ROBCUVFQSA-N 493.568 0.416 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815672938 MZEVOLIUPGTYEO-KRWDZBQOSA-N 481.575 0.642 30 20 JCED C=C1C[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CN)sc3C2)N(C(=O)OC(C)(C)C)C1 1817077146 BUTJMNQYJXXIER-YDHLFZDLSA-N 464.592 0.907 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)CC2 1822918745 ZIMFTKOWSJEXSQ-CHWSQXEVSA-N 472.589 0.892 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)C1 1826186486 WWCNNYAEWZQWGY-QKVFXAPYSA-N 478.527 0.515 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829202270 GEWUNVFGZKZZDC-MZLICYQSSA-N 469.542 0.465 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)cc1 1829635390 FMRQKHUYKDYYPK-QFIPXVFZSA-N 461.540 0.765 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)C3)C2)C1 1829663428 LJYQYWFBGZDVHZ-IQMFZBJNSA-N 458.515 0.415 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1829764649 RXKIEMFKVTTXTC-VRWDYKOXSA-N 480.525 0.196 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)n(-c2cccc(=O)n2C)n1 1830056398 VZUYMDGRDNNLAJ-XMMPIXPASA-N 482.541 0.499 30 20 JCED CN1N=C(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CCC1=O 1830465972 YHCUJKRSWFCIQZ-QHCPKHFHSA-N 472.929 0.756 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1831494106 XXMNGIUGLIUCCX-LAUBAEHRSA-N 482.628 0.302 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2)c1ccc(O)cc1 1831615726 JTPDXRCFCKKJMO-NNPDTBDGSA-N 471.554 0.857 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832006044 YWZSUTNNBHNWDA-JPYJTQIMSA-N 465.547 0.492 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cc(F)ccn1)CCO2 1832844362 PFKCKNLZDQXYNK-GXOSZSFXSA-N 460.506 0.468 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc4sccc4c3=O)CCO2)C1 1832891452 MDUYKDJDEPYBBG-HXOBKFHXSA-N 473.551 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)CC2)CC1 1833073726 BYJHDCKWYDWHDD-ARJAWSKDSA-N 492.470 0.772 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834528401 XFFUUXZPPDFQIA-FQEVSTJZSA-N 453.543 0.787 30 20 JCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1834528439 MOUWCDAGBVJHEP-KDGIGMFRSA-N 463.491 0.084 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)Nc3ccc(Br)cn3)C2)C1 1834755724 ADJSPPBWXJXWEJ-HXUWFJFHSA-N 494.346 0.933 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1835045542 JMEJHTRTPRTQNN-SFHVURJKSA-N 463.579 0.747 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)c1ccc(F)cc1 1835345725 WXYFJXTZJZECFI-WMZHIEFXSA-N 458.490 0.763 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1)c1ccccc1 1835395571 FELZZPQALBSTHY-ZEQKJWHPSA-N 469.582 0.972 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835697500 DRROXMDCABDMOI-SFHVURJKSA-N 490.605 0.903 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835766055 VSSNMEDHAWEQIV-JXTHABPFSA-N 475.590 0.945 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835768987 IHVRVNKOTHBQFA-STKBOAFRSA-N 480.610 0.795 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc(OC)nn3)CC2)CC1 1836054111 WXNYMVOFZIZPFL-ALCCZGGFSA-N 456.547 0.529 30 20 JCED Cc1nn[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836321832 LUNNZCLWOYEMEZ-IBGZPJMESA-N 479.419 0.782 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCCCC1 1836771832 WMAAAWGUAQVIQJ-HSZRJFAPSA-N 493.557 0.758 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1837396437 GUTWGXMSXMYAFD-DVECYGJZSA-N 472.542 0.698 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837529766 YELASGAASQSVET-PIVQEWKSSA-N 472.502 0.328 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835992 PUFNXRYIHMIZMW-UHFFFAOYSA-N 485.518 0.408 30 20 JCED Cc1nc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)o1 1838005038 XKNUWTTUUJIMDP-UWDDZFTESA-N 450.492 0.890 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1838328105 PQCSRCJKGYTFLR-SIAOZKNOSA-N 485.522 0.146 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]cnc3-c3cccnc3)CCO2)C1 1838493909 IFAVXPZKGVOFNY-HXOBKFHXSA-N 453.499 0.580 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn(-c5cccnc5)c4)C3)C2)c1 1838731815 ATSDORGFYFAFAP-QHCPKHFHSA-N 461.482 0.851 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)cc1 1838733280 XBGNELOMKYNVJW-NFBKMPQASA-N 454.483 0.699 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN)C2)C1 1839130839 WUSUMDMDUZYEQR-VGOFRKELSA-N 452.552 0.098 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1839174298 RHHSVRNJWILFOZ-JOCHJYFZSA-N 465.478 0.809 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186540 AJEVBGFVIHSZOE-QHCPKHFHSA-N 471.489 0.752 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CN)C2)C1 1839190936 LXXXVVSGPQMJGU-XXBNENTESA-N 460.531 0.273 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839194310 FSUBOIPKUKNKDT-MBSDFSHPSA-N 485.578 0.311 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1839224675 NCKBTUWACDHHRR-IERDGZPVSA-N 450.492 0.267 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)ccc1Br 1839400860 DINGRNNICDDFQX-LAUBAEHRSA-N 491.342 0.669 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C3)C2)c(Cl)c1 1839423521 HIJZSKSTGDPYDT-QFIPXVFZSA-N 497.899 0.326 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839624557 JHXOFPZXSRUOEZ-XMMPIXPASA-N 485.516 0.637 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c3ccc(Br)cc3c1=O)CCO2 1839633439 GUVCHVYYDOQMDF-OAQYLSRUSA-N 474.311 0.994 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839683363 ZZEZPIOCUYFESZ-KKSFZXQISA-N 454.524 0.286 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839717595 HKXKZAQQVOPYSY-HSZRJFAPSA-N 474.514 0.981 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1)c1ccc(O)cc1 1839886152 KYJBTENFZKCOKT-SQJMNOBHSA-N 471.554 0.872 30 20 JCED COc1ccc(-c2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)n[nH]2)cc1 1840042029 WEIOYEYQIBQBPL-HSZRJFAPSA-N 468.466 0.243 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1840060624 ZNOLMFNOOZFVDD-YDLHNXBPSA-N 497.589 0.404 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840159990 TVGGXXPCTOZCBX-FAPUVCABSA-N 473.592 0.131 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840274347 CYFGNYMXRUGCBD-VBXVAZGESA-N 453.536 0.523 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)no1 1840370379 WEWJMGKZXZDJKZ-QHCPKHFHSA-N 454.483 0.933 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819630 XIJPYDHFJDQUIJ-HXOBKFHXSA-N 458.515 0.260 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840843484 RSWUFBCGTINKOZ-XZOQPEGZSA-N 465.547 0.540 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CC)n3)C2)C1 1840907560 YDBREEPGMFGFHE-MHECFPHRSA-N 489.573 0.890 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)ccc1Br 1840921134 DVAMMQGKJYZTKC-LJQANCHMSA-N 480.319 0.059 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2 1841598641 UIKYRRYMBMGDRL-GOSISDBHSA-N 467.563 0.786 30 20 JCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 16132943 QYNGLALQBMJGMY-GFCCVEGCSA-N 472.523 0.964 30 20 JCED CN(CC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 25386748 ALFUQCDBFWQMAF-UHFFFAOYSA-N 469.567 0.639 30 20 JCED CCn1c(=O)c(=O)n(C[C@H](O)COc2ccc(CC#N)cc2)c2cc(S(=O)(=O)N(C)C)ccc21 28920625 AUISKKDZBILCCL-KRWDZBQOSA-N 486.550 0.939 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 523463929 AAHVOSFSVUPGQD-UHFFFAOYSA-N 479.942 0.594 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C1CC1 590998424 VESKDDCEKZOCAL-UHFFFAOYSA-N 460.506 0.474 30 20 JCED O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 616941371 BXVCHWUGVVOUJE-UHFFFAOYSA-N 480.546 0.616 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)C1=O 726042305 HEJHGNOLVIDSTH-UHFFFAOYSA-N 470.526 0.974 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(-c2ccc(C(N)=O)cc2)c1=O 726575982 RUCMLLWUFIPFPS-UHFFFAOYSA-N 478.578 0.624 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(=O)N(C)C 726578320 ZOQMUPKRQNYGFF-CQSZACIVSA-N 482.541 0.836 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O 727160344 BPSGNFIKGXVOLY-UHFFFAOYSA-N 474.546 0.414 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)CC1 728536400 ZDIJTDFLQMXRCP-UHFFFAOYSA-N 450.561 0.279 30 20 JCED COCCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3cccc(C#N)c3)cc2S1(=O)=O 746580068 LAUAAUAAKPVXLK-UHFFFAOYSA-N 457.464 0.822 30 20 JCED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1c(O)nc(=O)n(Cc2ccccc2)c1N 887929842 LKWBFWPXQJUXGU-UHFFFAOYSA-N 468.495 0.281 30 20 JCED N#Cc1cccc(OCC(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1 919417213 SEAQOHXIOVSAAJ-UHFFFAOYSA-N 473.507 0.818 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 1138835678 QFLGEHVFZMRRAK-ZBFHGGJFSA-N 456.590 0.667 30 20 JCED COC(=O)[C@@H]1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C(=O)OC)C1 1152035335 LAIQBPYNTKREBT-GZBFAFLISA-N 451.501 0.457 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1292126677 SCFUUSYFLDZHJH-CRAIPNDOSA-N 463.608 0.808 30 20 JCED CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1314535931 LXHRJDHXMVSUME-SFHVURJKSA-N 492.627 0.813 30 20 JCED CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1)S(C)(=O)=O 1503437126 SDXHYGVZJNKVPG-UHFFFAOYSA-N 455.548 0.854 30 20 JCED CSC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCN(C)CC1 1505194133 YLFLMFWQAROSFX-JKSUJKDBSA-N 454.622 0.736 30 20 JCED CCN1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1515850956 HZUJODOTZJONMP-CGTJXYLNSA-N 450.613 0.549 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1517627311 MNPVWQCCFOMQNW-INIZCTEOSA-N 452.562 0.379 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1617799771 SECAZHKCILPELI-MGBGTMOVSA-N 472.571 0.935 30 20 JCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1624604204 RLTKNLRPABMDFQ-UONOGXRCSA-N 452.920 0.326 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCN(C)C1 1761234500 ROSFWJFIECFFHT-JOCHJYFZSA-N 453.551 0.076 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(C#N)cc2)C3)CC1 1778911380 KINBLINUFUCGDC-RCZVLFRGSA-N 467.570 0.850 30 20 JCED Nc1n[nH]c(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2(O)CCCCC2)C3)n1 1779244817 KBWGYLINLBLJHT-VGOFRKELSA-N 458.563 0.532 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1781064077 ZOXGMXHXFKOMFK-LPQSXTOPSA-N 477.558 0.633 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781353313 KAQZDGANVKNCKD-RQPHDYGFSA-N 478.546 0.804 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)C=CC3=O)C2)cc1 1782311652 AYXAFUKHPHETIF-NTKDMRAZSA-N 450.495 0.540 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783176708 AYWLLLSSJMXYTC-XDHUDOTRSA-N 491.589 0.882 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1784370894 LKKLTQCCJRGXEP-RCZVLFRGSA-N 478.553 0.791 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C[C@@H]21 1784477834 ONCIATPJAWSBHH-UDDWMFPDSA-N 481.549 0.620 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)cc1C#N 1785195806 DVYDZPVRVRLYHX-MBSDFSHPSA-N 457.531 0.382 30 20 JCED COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)cn1 1787605835 ZQCDZBGIMGOGAE-LNLFQRSKSA-N 457.531 0.743 30 20 JCED O=C(Cc1ccc2ncnn2c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1789716270 OTACOATUQYYODD-LKRFGZDHSA-N 470.530 0.781 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1789892428 QMUQGIPLILKPOH-BWJWTDLKSA-N 466.560 0.278 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC13CN(C(=O)OC(C)(C)C)C3)C2 1792490420 SXUWQHRWILPLKO-RJRFQMQXSA-N 488.585 0.691 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c1 1792697776 SUUROIPCXZYHHL-QIUKAFMCSA-N 479.555 0.822 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C2 1793356148 ZTZKRKYAWWLXNH-JWVYWZTKSA-N 450.557 0.813 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1793382547 DZKBNBXOHJFJBN-FSDCSDTHSA-N 461.544 0.836 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794384622 JZYFRJRHPARSHR-JONQDZQNSA-N 456.547 0.913 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1-c1cccc(=O)n1C 1795933075 LTPBJSRVDLOEIU-ZRAXVTTISA-N 483.569 0.656 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)NC(=O)OCC)N(C(=O)OC(C)(C)C)C1 1797589301 IYHAOVIVTQFUDC-OREBXVKISA-N 496.561 0.206 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1797713977 FEYKXNXVJLCFAR-MJJLTSLDSA-N 481.590 0.377 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1797727991 VGAVYACKCOHLBM-KYFSNAEOSA-N 473.526 0.756 30 20 JCED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797839163 QCWIEPHKJCVHTE-DDZVEQRCSA-N 451.520 0.358 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)[C@@H](O)C1 1797839938 HQGVFUQNAGMOMC-AQNRLUSSSA-N 490.557 0.516 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798635139 YAMUDAJCDKVLLX-YYAJDYIMSA-N 475.546 0.833 30 20 JCED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1799781847 ZCHDDGAKYQZFFI-KSPBDQMDSA-N 469.903 0.003 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCc3ccc(O)nn3)C4)c2c1 1799885620 TTWXQYFNVWMQBE-USGNIVHTSA-N 461.482 0.766 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccncc2=O)C3)N(C(=O)OC(C)(C)C)C1 1801103127 CDLLSRQFQOSONQ-NYUBLWNDSA-N 487.557 0.399 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1802127856 ZDJQRWJZYNINME-CLWJZODNSA-N 473.530 0.362 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)cc1 1802576788 XMPDJPJFNCNOAI-WMZHIEFXSA-N 460.494 0.754 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1819451499 WSBDUMCRJDXVRC-PWMBGMQGSA-N 461.479 0.529 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(O)O)CCN3C(=O)OCc2ccccc2)c1 1828524945 INKFAWOIXPGMOJ-RUZDIDTESA-N 478.505 0.935 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCN2C(=O)OCc2ccccc2)C1 1828981420 DZLLVALKCZHCMJ-VWLOTQADSA-N 495.584 0.828 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CNc3ccccc3C)C2)C1 1829765307 UBYAOUUCIHSJCR-XXXZYALBSA-N 456.543 0.722 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccc([N+](=O)[O-])c3C)C2)C1 1829771153 IUNAPONTYCLYQE-KSEXMQBYSA-N 490.488 0.971 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CCOC1 1831219368 WUYOEDWVJKULQK-ZEQRLZLVSA-N 477.558 0.540 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1831433657 XGZRJCAXVPXVMP-OYHNWAKOSA-N 477.470 0.985 30 20 JCED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831516620 FTPKVQZVIQAJJU-YJGRUCBDSA-N 459.543 0.973 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1 1832024401 CLLPQWPPKHKMJF-HSZRJFAPSA-N 470.457 0.082 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832249378 YNFOHYQEFGXCLX-QGZVFWFLSA-N 482.431 0.080 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1cccs1 1833031901 RKQWQKKBQJLWJG-PIVQEWKSSA-N 494.570 0.463 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1833608569 MDSRADLEHNDLQJ-MBSDFSHPSA-N 478.546 0.805 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COCCOC)C3)C2)c(O)n1 1833698729 MFSBBEWGIRNXOI-QHCPKHFHSA-N 463.531 0.639 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835405818 OIYLRUPUKXADOY-KOSHJBKYSA-N 494.589 0.535 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)c1 1835653222 LEOIBHFUYGODTN-OAQYLSRUSA-N 461.544 0.654 30 20 JCED N[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1cccnc1 1835834505 SGDXGBDXXSHLPP-YHLBKWEDSA-N 475.546 0.457 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](C)S)C4)C3)ccc12 1836256158 CIFFSNRFCJWICN-NYHFZMIOSA-N 476.555 0.899 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836350710 NMSAVAHQTVHFIN-SBUREZEXSA-N 490.561 0.572 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837167491 YYEXEZSPMZLBKO-QFIPXVFZSA-N 455.519 0.081 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837318698 XSDNACVQAAZFKM-ZICLHRSZSA-N 464.441 0.020 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1837524315 FFRNGAADGFYLEK-RGOAUWMISA-N 455.405 0.872 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cc1O 1837524386 AIBFQJORIZMHGU-ZBSBNIAOSA-N 491.541 0.929 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1837528768 OPFIXQJLEIAHRB-VHWNGOAXSA-N 498.540 0.866 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)Nc4cccnc4)CCO3)C2)c1 1837632404 PTENRJGQUTZBPG-DEOSSOPVSA-N 463.494 0.970 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c1Cl 1838596136 PWXXIOVRWWBIHV-QFIPXVFZSA-N 460.918 0.904 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)N1CCN(C)CC1 1839103073 CWCIMGPSTLRSOU-HOYKHHGWSA-N 490.004 0.918 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1839227465 ROYZAVKWRCOPJF-KUSROVSMSA-N 476.530 0.709 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840174576 LXTNZLVSIBDATR-UZUQRXQVSA-N 483.562 0.865 30 20 JCED O=C(O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1840192529 NCIOEQYIMVFYGF-WUUFJKRQSA-N 468.553 0.761 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1840227311 NURHXBKDTKUMQQ-HYBUGGRVSA-N 454.527 0.473 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840801521 BGVDMKYCBAGQNB-JKJLQIMHSA-N 481.594 0.829 30 20 JCED Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc([C@@H](C)C#N)c4)C3)C2)c(=O)nc1O 1840808756 LWRKFICEJVUVIV-GKVSMKOHSA-N 495.536 0.655 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1840909068 LXJKGNIPMDNQNO-NLFFAJNJSA-N 486.569 0.997 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NS(=O)(=O)CC)C1 1841580117 GVRNTHGDTLJHIG-HOTGVXAUSA-N 472.608 0.987 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1847069851 SWSMGORDVZIOGK-QLFBSQMISA-N 477.587 0.909 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)CN1 1847684977 VCBSNJXENMJFLV-YFNVTMOMSA-N 497.596 0.919 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1847805644 MPSZLULYPPRFQX-BZSNNMDCSA-N 462.547 0.306 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848213372 FDGVGILKLWZJRJ-PVSIPHCJSA-N 459.503 0.724 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 489263116 XZAUWDXBEJWVSP-UHFFFAOYSA-N 478.521 0.483 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(-c3ccccc3)o2)c1=O 603993407 TYKQVIUORNNJCA-UHFFFAOYSA-N 464.547 0.658 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC(=O)N(C)C 604269934 JSDGMWOUAOKWOW-UHFFFAOYSA-N 472.567 0.052 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O 608911742 OWPYKDBZVHSGSH-UHFFFAOYSA-N 482.484 0.460 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccccc2)c1=O 608913092 SOURABUMPNFYNR-UHFFFAOYSA-N 468.560 0.601 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccc(OC)n2)C1=O 726403232 JKCKZMYHOXYCOA-YZNZPZSRSA-N 477.568 0.874 30 20 JCED COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 729880776 HYJFVUKDFICVMD-RELWKKBWSA-N 453.565 0.475 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCCN2c2ncccn2)CC1 914626349 LHJVQEKBWUYVTM-GOSISDBHSA-N 484.538 0.393 30 20 JCED Cc1c(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(=O)n(-c2ccccc2)n1C 916961368 PITDAYVYLJEYDY-KRWDZBQOSA-N 493.501 0.977 30 20 JCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286538584 QQQAEDVYXJQTEI-HIFRSBDPSA-N 466.384 0.927 30 20 JCED CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1313828976 VDEJBWBDTZHIRL-OAQYLSRUSA-N 462.576 0.666 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2/S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCOC2)cc1 1325621996 NXIKRLPMUMXGNO-SJRJCAKTSA-N 466.585 0.839 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539804259 UJAYESFTARHTGX-HOTGVXAUSA-N 459.016 0.969 30 20 JCED CC(C)(C)[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541235660 ZASUGKACJBIVRD-VFDYIDJGSA-N 468.649 0.904 30 20 JCED CN(C)C(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1617601410 QLWYKBKQTAGNDE-OAHLLOKOSA-N 453.569 0.219 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1729691354 XZMCNCISLDAVAX-WMZOPIPTSA-N 474.543 0.115 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCCC2)CCO1 1750388839 TWQMBJQLOMVCEA-DLBZAZTESA-N 450.565 0.702 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCS(=O)(=O)CC1 1751096280 OWVNQCWTEKQYIL-GDBMZVCRSA-N 474.609 0.174 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOc1ncccc1F 1751226039 ICFBDMPOSBVULU-ZBFHGGJFSA-N 478.554 0.678 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1761481126 MCDCHKAFDYMLEZ-HOCLYGCPSA-N 458.610 0.843 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1779066352 RSRCDKHVRLGTBH-VWLOTQADSA-N 495.536 0.821 30 20 JCED Cn1c(=O)c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nc2ccccc21 1779101862 RMTQTHCACDKVOX-OYMHRHQWSA-N 483.525 0.906 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cn3)C[C@@H]21 1783530255 MZJOXERFPZKQSY-RVRCOVJFSA-N 483.569 0.370 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1783883284 GNVCZIIHYWISIK-QGWOYLBSSA-N 498.552 0.980 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CC(=O)NC4=O)[C@H]3C2)c(C(F)(F)F)n1 1785029379 IFUYDLVPUBDSKN-CQDKDKBSSA-N 494.430 0.117 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)NC(=O)OC(C)(C)C 1785307734 HYDHOZBNKLGIHX-WLENULPWSA-N 498.577 0.740 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1785574970 WFSTVMQQDSCMIN-WAIKUNEKSA-N 474.514 0.853 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](CC)NC(N)=O)CCO2)C1 1785595966 GZHPOFUVRZFHOH-OYYQPBACSA-N 479.578 0.733 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785669226 CPSJSZPDIZJTMM-QHCPKHFHSA-N 462.547 0.309 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncnc3)[C@H]2C1 1786114756 WDSFNYQYHACROJ-KANFNMMFSA-N 457.531 0.987 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1)c1ccc(O)cc1 1786803815 ZWYLGBWXJKKRHA-NQOGSSOHSA-N 470.570 0.462 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787269726 PQQCVMPNRNJADA-BQFCYCMXSA-N 485.621 0.457 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788653147 WBJJICYUWPXAOX-APZOMWMKSA-N 498.577 0.381 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4snnc4c3)[C@H]2C1 1789203687 OOQYDLKAFGTPQI-IBKBTCHNSA-N 456.528 0.538 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789709581 BQWNXTOYCXADLX-LEUOFYLZSA-N 476.599 0.444 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)C[C@@H]2C1 1791010867 URINWMPPUKUVDS-JCHKBEJOSA-N 475.542 0.701 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1791544646 GSFXVJNDLLZWQI-SNJCGAMXSA-N 463.538 0.488 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792109009 NZGBLVKAPCZEJS-VMXHOPILSA-N 466.579 0.960 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C)C[C@@H]21 1792267152 ORPFHGOVXUHFQL-SOWBTEIWSA-N 450.580 0.997 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)cc1 1792562002 HIRPAGLWOMICLT-CWPLJXCYSA-N 458.565 0.551 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1792792337 DDNVORUMRGTNNF-KDUVFMBJSA-N 477.649 0.556 30 20 JCED C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1ccccc1C#N)NC(=O)OC(C)(C)C 1793154444 IUJQAODGEFTGLF-CMWLGVBASA-N 486.569 0.964 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2 1793342847 WBNKFVLJCXSBMX-DFBDCSAJSA-N 453.536 0.154 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cc(F)c(F)c(F)c1)NC(C)=O)C2 1793345612 RTPFKEMJRXBBQP-CMWGAGICSA-N 495.498 0.779 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O)c1ccc(O)cc1 1795521947 GDLBXNNMOVRYKY-AYMMHLMVSA-N 479.470 0.204 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795645798 MRSYSFQIRLACRE-FZQIVQGWSA-N 480.562 0.108 30 20 JCED NC(=O)c1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796445678 BUBNYKQGPIHXKE-HNDWSZEFSA-N 455.496 0.279 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799073364 JLLCJLUKVVAPTN-KYHPRHEASA-N 462.572 0.054 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1799320755 PXKPDQBVXHEMEY-ZMMAXQRCSA-N 481.594 0.707 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1799389432 LLRQNWVUOGXRNA-YQYRJILISA-N 484.553 0.992 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2[nH]nc(C(F)(F)F)c2C1 1800319478 KZUFQEDYTWXGJU-PMJRAEDJSA-N 481.475 0.591 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2)NC(=O)OC(C)(C)C 1801931094 DRVOUPLFWWGFTK-QOSLBHJFSA-N 482.578 0.498 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCN1C)C2 1802124522 DKWXFJABHAUNFC-YHDCXSKOSA-N 462.591 0.977 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C=CCN1)C2 1802282892 NGCZJSKMCXPLFT-PJVZLEMVSA-N 491.589 0.958 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1803914890 BFVOAJJFKAFMSQ-HNZACBBNSA-N 466.542 0.874 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807738909 XJVGYPIMYFLXNA-OXJNMPFZSA-N 499.597 0.835 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2nc3ncccn3n2)[C@H]1c1cccnc1 1809226545 MVQUYZQVBUUQNR-LDBCMITESA-N 460.498 0.697 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811181763 JVXGAERHEWWTDF-ZEUIOTOJSA-N 463.498 0.149 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814929112 MLFBLTHFCUDBIY-AWEZNQCLSA-N 453.528 0.846 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817063427 LRJLAFVUDKWURW-OBJOEFQTSA-N 452.581 0.811 30 20 JCED Cc1cn(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=N/O[C@H]4CCCCO4)sc3C2)c(=O)nc1O 1819908041 VQSBYKLJTODHBK-VQEKEWPUSA-N 490.542 0.855 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)[C@H](O)C1 1825660178 CFWJJKSDXXOJFM-VNHYZAJKSA-N 492.554 0.761 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803737 IKRUMBIHFCMFJT-GNFOSXPUSA-N 457.512 0.803 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCN2C(=O)OCc1ccccc1 1829166770 CVOGYXUBGMCCHE-RUZDIDTESA-N 492.488 0.474 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829825279 YDGUJTQFXWTYOF-VZXDHSFBSA-N 451.476 0.298 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)[C@H](F)C1 1831135659 IJGZWQPUXVLVAJ-SEPYTNNBSA-N 497.520 0.126 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(C(F)(F)F)cn4n3)C2)C1 1831394137 XGTYBKDRBQGRTL-BTYIYWSLSA-N 495.458 0.856 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4ccc(F)cn34)C2)C1 1831399196 QVXKAKYKHBGLOV-GAJHUEQPSA-N 458.490 0.890 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCc3ccc(OC)cc3)C2)C1 1831402247 RLXBFGVJQMPITM-NTKDMRAZSA-N 460.527 0.707 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1831485245 SGHYDSNXIIEJBA-XLIONFOSSA-N 455.602 0.889 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCC)C2)C1 1831998651 PHJCVRGWQWYJQT-VGSWGCGISA-N 455.552 0.949 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1832462950 HEMMAKNTAHYSAD-GOSISDBHSA-N 459.615 0.222 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832882747 XTXXWMSYQBVTJD-VWLOTQADSA-N 495.536 0.542 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](CCC)NC(C)=O)CC2)CC1 1833076370 ZMLGIWXPWMPKIV-NJRZHNRPSA-N 461.607 0.721 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833652178 DHXFLUXDEAGCEV-BSEHWYNJSA-N 498.540 0.866 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)c3ncnn3C)CC2)CC1 1834077224 JJYHCZMIRXDKLC-LJQANCHMSA-N 487.605 0.917 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834450666 UXYMXMOVIIIEHE-GAZXMLTASA-N 489.573 0.960 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1835120010 PFBOQZCAMMFJJY-YQHFQFMOSA-N 460.600 0.781 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1835351892 CXSKZBVYMNBPDH-DEOSSOPVSA-N 468.510 0.362 30 20 JCED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835515491 DNTSBYFYKKDHQT-UHFFFAOYSA-N 455.563 0.752 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1835517258 ZCVSMGYJPNZSMO-KSFYIVLOSA-N 497.618 0.635 30 20 JCED COc1cccnc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675413 QPSKTPPKOTVATQ-DEOSSOPVSA-N 473.574 0.761 30 20 JCED N#Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4nccnc4C(N)=O)CC3)CC2)cc1 1836288104 TZHXOSXAPRCVQL-UHFFFAOYSA-N 461.526 0.946 30 20 JCED Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5(O)CCCCC5)C4)C3)cnn2c1 1836949320 IILKKIMZQVMGFR-RUZDIDTESA-N 481.553 0.806 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1836995787 VWJOPXOCEKJBBK-UZQCKINESA-N 453.499 0.263 30 20 JCED CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837241711 QHQMMRVHLDUPIE-WKRVVKTRSA-N 454.589 0.300 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837526692 FQJASPJHUQLWOF-QBNPKSHOSA-N 472.502 0.557 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837545928 QHHBOMURAUURAZ-QHCPKHFHSA-N 460.531 0.938 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837740921 AWZSLIXUQGJOMU-FDDCHVKYSA-N 458.563 0.620 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3occ(-c4cccnc4)c3[nH]1)CCO2 1838430906 FYHMGNWXLAZLDC-XMMPIXPASA-N 478.461 0.981 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCCC3)c(F)c1)CCO2 1838561732 RQHXYUGKUNXCLB-QHCPKHFHSA-N 459.474 0.584 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncn(-c5cccc(F)c5)n4)C3)C2)c1 1838732418 PUCVLRFNPZQOOJ-HSZRJFAPSA-N 479.472 0.990 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(N4CCN(C)CC4)CC2)CCO3)c1 1839107493 MBDJOGSTGVOFSL-VWLOTQADSA-N 497.596 0.417 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839174593 LRIAXLSSTLTRKT-QFIPXVFZSA-N 450.536 0.234 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)ccc1F 1839187382 ZDFSSEWDUKTVCA-XMMPIXPASA-N 483.500 0.989 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)ccc1F 1839187928 FBCFUIOUSSXFAQ-XMMPIXPASA-N 483.500 0.989 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839350949 JQSWHDGNXGZDSX-RWOVVYLESA-N 457.531 0.327 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1839390313 YNLHVNZMWJCZAA-ZOAIKNCSSA-N 475.542 0.786 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424150 QFKFPBNLOZDUEX-OYHNWAKOSA-N 460.918 0.972 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1839655085 DMHIRJNQPHIBCP-QHCPKHFHSA-N 489.598 0.050 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1)C(F)(F)F 1839893047 MZOTVWVNUKOMTF-QAPCUYQASA-N 466.409 0.056 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840071723 GPFXATSIGMEXRN-SSKFGXFMSA-N 466.535 0.117 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840149756 ZIISTYGJMXIYNR-HOOSLVGPSA-N 493.557 0.614 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840159991 TVGGXXPCTOZCBX-JXSLOMFPSA-N 473.592 0.131 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840169100 JZVXPOXEJRHDRR-ZEQRLZLVSA-N 479.574 0.930 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)CCC1 1840813683 OKAQIBKZUGPUPB-DEOSSOPVSA-N 465.510 0.930 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1840819848 JGPYQLILEOAUDQ-QHCPKHFHSA-N 452.467 0.808 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)COc2ccccc2C#N)CCO3)no1 1840819953 QCDGGIICHQSIHY-DEOSSOPVSA-N 497.508 0.120 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccc3)CCO2)C1 1840899898 FYSRYKPFHSEJON-XLNZFTOWSA-N 457.527 0.300 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)[nH]n3)C2)C1 1840908670 GBZUHBGOMTWTGA-SBUREZEXSA-N 475.546 0.705 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 515361041 JPTWUUQHIUVCIW-HDICACEKSA-N 458.540 0.956 30 20 JCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccc(C#N)cc1 520424273 AVDUQKJEFAYMGD-AWEZNQCLSA-N 455.496 0.495 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCOCC 522277168 ZPZLJPXHYWEPFJ-UHFFFAOYSA-N 461.565 0.155 30 20 JCED Cc1cc(C)cc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccn3)c2=O)c1 603789067 QJNWPRFFENMAJY-UHFFFAOYSA-N 489.601 0.862 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCc3cccnc3)c2=O)cs1 609038860 OFMPXJNZMPLARW-UHFFFAOYSA-N 469.592 0.832 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cc(C)on2)C1=O 726403662 LVTSRCMLAZKSSO-BAOKRACBSA-N 451.530 0.767 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CC1 728534460 LUWTTWQUKCBYJU-UHFFFAOYSA-N 473.382 0.941 30 20 JCED Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 744652899 PHBPEAJJCVOTRG-UHFFFAOYSA-N 476.471 0.048 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1 811832998 HTKYJBVYOUGHCF-UHFFFAOYSA-N 465.509 0.349 30 20 JCED CCOC(=O)CN(C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 821728446 WKTSUHGNSKAPIA-UHFFFAOYSA-N 459.480 0.865 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)cc1 839262140 HTTHDDYPETXLQF-UHFFFAOYSA-N 467.551 0.687 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 914850186 HSGLWHSLUKIWFQ-AWEZNQCLSA-N 460.516 0.238 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 918609822 CAZNDZNFQWWCGD-ULJHMMPZSA-N 470.511 0.697 30 20 JCED CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1503683168 ULEVNXFVLCAVHT-IBGZPJMESA-N 471.587 0.604 30 20 JCED CNS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503836678 QILJGLMYIMULIR-SFHVURJKSA-N 459.576 0.625 30 20 JCED COCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1504758458 VAKGCHMXTZTQKY-JXFKEZNVSA-N 470.596 0.529 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507868846 PEMMUXIQMAWVSW-OLZOCXBDSA-N 455.990 0.233 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)N(C)C1CCCCC1 1541942926 MPLNVQCWNONSSG-LPHOPBHVSA-N 492.650 0.856 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 1544085114 NLMQRUBSSNIRAT-AWEZNQCLSA-N 450.542 0.792 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1593884732 JUWJCMQQMSSCRP-MCIONIFRSA-N 470.017 0.621 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(N2CCOCC2)n1 1611659600 TWAMJASHCSMSOX-CVEARBPZSA-N 462.580 0.907 30 20 JCED CCC(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1613508733 RSRUPJVAZUFYFP-WDSOQIARSA-N 483.639 0.754 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1620176917 MSUYTMHNVDEUOL-SFHVURJKSA-N 473.559 0.194 30 20 JCED CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 1662161702 QILAXSOCEKLKMU-UHFFFAOYSA-N 456.365 0.753 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1693880628 QBWQTKFFCRNQQT-NBCNXNJRSA-N 490.586 0.659 30 20 JCED CC(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1706237608 QNCPEHNXRHFTDO-KRWDZBQOSA-N 451.535 0.874 30 20 JCED CCN1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1728573754 XQIWUQPCNDYFFR-ROUUACIJSA-N 451.597 0.693 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1728652298 VFSDGQWWNNNXFG-RDJZCZTQSA-N 463.608 0.519 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)c1 1730995674 QBSHYKBBPLHLLR-QGZVFWFLSA-N 479.584 0.902 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740804107 YQFIXYICJNNPBB-LBPRGKRZSA-N 455.006 0.501 30 20 JCED CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1751216992 XYMMGTRAKMZVHC-FCEWJHQRSA-N 457.576 0.687 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOc1ncccc1F 1751226036 ICFBDMPOSBVULU-GOEBONIOSA-N 478.554 0.678 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc([N+](=O)[O-])c3c2OCO3)C1 1780116571 CEPQZHPISBMRMW-QVKFZJNVSA-N 459.411 0.539 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1780684069 TXESKUSBXLRFIX-IPRDPGLQSA-N 479.622 0.483 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781296503 YMSPCVWFEQEZGI-YCRPNKLZSA-N 466.535 0.398 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1783226990 XPLCDLXQKHCKTE-ULYRPOKDSA-N 466.535 0.870 30 20 JCED CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567804 APBIAAVJKKMIHH-VPKVUBIPSA-N 451.520 0.844 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1785552897 NTWRJNBQBXQQPP-MIVJIENQSA-N 454.527 0.493 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1785577508 XURKPICHJAUMGT-KOSHJBKYSA-N 487.557 0.861 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1785607828 DNLIFEJIHYLRPI-IZAUUZMXSA-N 491.545 0.297 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccoc3I)[C@H]2C1 1787156117 HOEYPRRWDJLROL-DRZSPHRISA-N 472.235 0.566 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1787472237 PUNTWXGUSIXITE-QAETUUGQSA-N 450.536 0.810 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)c1 1788656576 QQXPAKZDBKXZKB-DRNYCHMQSA-N 494.570 0.607 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789509145 FQJWJNPJHPOJFT-XSDIEEQYSA-N 457.483 0.646 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21)C(C)C 1789949549 HJHQQMNCBJJPAA-VKESLTNKSA-N 477.562 0.251 30 20 JCED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Br)c(C#N)c3)[C@H]2C1)C(=O)O 1790197510 NZDIVUSQJPCWDP-IKICRFKJSA-N 493.358 0.977 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]32)cc(C(F)(F)F)c1 1790256866 TUKLXFMGYNCYRB-MGHWNKPDSA-N 481.475 0.763 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327581 VDNINGZHXZQVAY-UJNZZBMASA-N 450.499 0.719 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3=O)[C@H]2C1 1791186366 ZOKYUMWVTUXMOP-HAGHYFMRSA-N 490.601 0.895 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC[C@@H](C(=O)OC)C3)[C@H]2C1 1791239939 XQXOJKJDIRJKFA-MYXVRNBVSA-N 461.559 0.804 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1792255627 RQXCTWPKXKNFCN-BCYZHJNNSA-N 476.574 0.409 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792271319 BEIUVEXFDPJWDY-QAETUUGQSA-N 484.619 0.654 30 20 JCED COC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)c1ccccc1 1792799803 AHUBVARKMPYGBK-IYWMVGAKSA-N 471.558 0.955 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1793082493 JUXNWPIGIKXGMS-VCNBQAEXSA-N 492.573 0.070 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1cccnc1 1793147562 DLHVKYMIEKMAHZ-JSJNYSNDSA-N 472.498 0.325 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1793368737 TYVQLXQYYAPIPZ-NFFDBFGFSA-N 488.488 0.856 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1793594857 GSOPMQBBXTYLRN-XAPVIXHLSA-N 493.649 0.683 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOC)C2 1793595990 VIUOSMNCYNMLFS-SFNKJDCFSA-N 455.552 0.708 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795084448 UDDIMLOXYOSHFW-ZMMAXQRCSA-N 462.547 0.763 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2n1CCN(C(=O)OC(C)(C)C)CC2 1797315203 TXCQAPSVPQKQTL-CWPLJXCYSA-N 457.531 0.513 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC#C[Si](C)(C)C)C2 1797586324 PPPUHESHRGLADD-YNVMFWSZSA-N 453.612 0.692 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1800536591 AJHGBHOCKRXUEM-FWEDZOCSSA-N 450.536 0.017 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1800716804 DYSWGZKKHOJNLN-RPXQCPFCSA-N 461.515 0.311 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4ncccn4n2)C3)N(C(=O)OC(C)(C)C)C1 1801103848 GNLNCCXBCKJFRC-MHORFTMASA-N 497.556 0.893 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C2)C(C)(C)S 1802180779 DWLPYMMNQNSYAD-CEEVZKBLSA-N 485.651 0.819 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)ccc1F 1804094582 QNJWXRUTMSDAFV-SBUREZEXSA-N 478.484 0.893 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1811534887 UIJXTSLHJVTCNJ-BJZITVGISA-N 458.544 0.929 30 20 JCED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)cc1 1822166131 NBNGTDMZAMYEPW-GFCCVEGCSA-N 461.467 0.680 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](O)N2CCOCC2)CC3)c(C#N)c1 1822809483 YQUJQTZALINYHD-KSFYIVLOSA-N 485.566 0.829 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)c1 1825329080 OEFJPXATIGJXEO-AWEZNQCLSA-N 461.519 0.666 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)CCN2C(=O)OCc1ccccc1 1829055443 LLBHYPBXEBDNHF-XKPFWTEKSA-N 497.577 0.874 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(O)n(C)n3)C2)C1 1829260131 GGICOHGGCZFECK-QHCPKHFHSA-N 451.483 0.825 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)c(N(C)C)c(F)c3)C2)C1 1829771256 OEITYMGQVCFBPI-VRWDYKOXSA-N 492.523 0.959 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1829771291 PUWTWTOOKOESJX-UTBBOMKLSA-N 482.537 0.500 30 20 JCED O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CN1 1829944269 BNNIXSKOLQQWBK-FDDCHVKYSA-N 459.930 0.674 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)cnc2s1 1830056685 NIDQEYLWYWRJDB-NRFANRHFSA-N 459.528 0.684 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830063230 KJOIGMOJIUPXQR-HXOBKFHXSA-N 480.562 0.628 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1 1830216514 FCJVEZXDQLYLEI-GAPQSTFRSA-N 474.558 0.657 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456307 JCUKMGSYMDPOMC-HSZRJFAPSA-N 475.567 0.853 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(C)(C)C 1831088208 HCHPXSGPPAAEOC-BEMHVRKGSA-N 482.578 0.523 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831200479 FYQRXWUERJTWCX-DEOSSOPVSA-N 463.575 0.448 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C1)C2 1831221557 RWIMEPGQIHFMAZ-CLOONOSVSA-N 484.553 0.492 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831222821 HXSAWEDWOZTHKF-RCZVLFRGSA-N 471.529 0.743 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 1831401554 CIYFHPQWNQVCSL-OPAMFIHVSA-N 463.462 0.771 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1831413660 DIGWPSHYUCONEH-SFHVURJKSA-N 451.442 0.104 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1831420209 STYYQORBTONHTA-VGOFRKELSA-N 466.556 0.751 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1831452456 SBPLUFXVKHUXMN-JTSKRJEESA-N 482.986 0.829 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1831997960 IVGXOWWJLLRADG-PNLZDCPESA-N 454.568 0.507 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn3C)C2)C1 1831998162 KGZSPCVGWHRGKM-SBUREZEXSA-N 477.562 0.960 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)CCO2 1832541241 WIYXTWCWKSNHCW-DEOSSOPVSA-N 468.510 0.823 30 20 JCED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833488827 MGMSWJFBUCTDQB-FQEVSTJZSA-N 474.693 0.243 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(OC(F)F)cc1Cl)CCO2 1833563469 RPAIMGZUEOSPMG-IBGZPJMESA-N 473.816 0.494 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cncn2-c2ccncc2)CCO3)c1 1833654759 OTNGFIHBRPHHKI-HSZRJFAPSA-N 461.482 0.851 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834241160 FISFLJAGGUWJEG-GAJHUEQPSA-N 477.562 0.960 30 20 JCED NC(=O)CC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1834672248 INYMZFQSEFKMJW-NRFANRHFSA-N 474.005 0.856 30 20 JCED CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834717260 WOMJIZQAAQEDQJ-UHFFFAOYSA-N 465.668 0.324 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)CC[C@@H](N)C(N)=O)CC4)CC3)c2c1 1834735071 IOEKFXPJNVJGLN-LJQANCHMSA-N 480.573 0.213 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834913357 KAIAMRHARIBKPC-IBGZPJMESA-N 493.630 0.596 30 20 JCED O=C(NCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1cccs1 1835095755 CBFJJQIQBMPJOZ-DEOSSOPVSA-N 467.547 0.986 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1835114568 OUYKRAIYLYRBLN-DNVCBOLYSA-N 493.630 0.870 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1835442714 DOYPNSMTIJSQSJ-UHFFFAOYSA-N 462.547 0.513 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4nc(C)no4)CCO3)C2)c1 1836072984 WMRHVJGLERSLJL-QFIPXVFZSA-N 455.471 0.571 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4nnc(C)s4)CCO3)C2)c(C#N)c1 1836081142 GRCMBYOWXLEZII-QHCPKHFHSA-N 485.566 0.968 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)CS(=O)(=O)N4CCCC4)CC3)CC2)c1 1836169897 BIDQAGHKSDDKQN-UHFFFAOYSA-N 476.603 0.497 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)CC2)CC1 1836362065 HVYRVMYCHJINOE-AVQVHJDXSA-N 485.629 0.817 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836977418 ILIJLTCKJQHPKP-BVONVKGESA-N 475.546 0.818 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837109078 CEZSRARGCGYAPA-HSZRJFAPSA-N 454.531 0.686 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1837123437 DCOLQSOKMYEGGQ-QHCPKHFHSA-N 456.499 0.914 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1=O 1837137519 DYWYFDVVJQZWDO-ZHIQAQTNSA-N 483.525 0.363 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837152283 JIQQBQPBGYLDLH-QMHKHESXSA-N 458.515 0.801 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c(O)c1 1837445309 PCOCXMMWGOKMMP-NHMXVPMISA-N 460.531 0.943 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1837490831 CFIVXBLZSGBCQD-OAQYLSRUSA-N 461.475 0.087 30 20 JCED Cc1cnn([C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837493631 NILKZOQMXNEGKQ-RDPSFJRHSA-N 458.559 0.908 30 20 JCED C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837740924 AWZSLIXUQGJOMU-WZONZLPQSA-N 458.563 0.620 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(Cc3ccccc3)c1)CCO2 1838017522 KNMWWESUWOZRKA-QHCPKHFHSA-N 452.467 0.089 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838257654 MJDTYLKRSFWGJL-ZCTVUFTBSA-N 467.910 0.729 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cn2[nH]cnc(=O)c12 1838472410 JSDSBQAPJXFUAV-QFIPXVFZSA-N 454.487 0.095 30 20 JCED Cc1c(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn2[nH]cnc(=O)c12 1838523757 ZYKVIWWWGQPIHH-UHFFFAOYSA-N 455.471 0.031 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1 1838581608 CNDBNUPFPQKMJX-JOCHJYFZSA-N 469.454 0.152 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C3)C2)c1 1838581755 NEPGJAOTUSZGDV-WAIKUNEKSA-N 458.515 0.504 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4COc5ccccc5O4)C3)C2)c1 1838732198 GJWOKSYQKBXBFV-NFBKMPQASA-N 452.467 0.796 30 20 JCED COc1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)ccn1 1838732218 HDFKNMIMQRWGOX-HSZRJFAPSA-N 453.499 0.993 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C(=O)OC)s3)CCO2)C1 1839034108 PQALGRAEIPMBED-KSFYIVLOSA-N 464.540 0.572 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CC[C@H]4CCC(=O)N4C2)CCO3)c1 1839083542 BDIAVLYUWILSIO-IEGUWTFLSA-N 455.515 0.357 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)ccc1F 1839186625 GEZZQEMXYDRVOP-JOCHJYFZSA-N 455.446 0.506 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc([N+](=O)[O-])c(O)cc3C)CCO2)C1 1839465679 ILBIZAHIRHQKKM-AOMKIAJQSA-N 461.471 0.717 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(NC(C)=O)c(O)c1)CCO2 1839473565 GCKOJWAPRMLXDB-DEOSSOPVSA-N 489.525 0.930 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)c5ccco5)C4)C3)c2c1 1839486290 RROGDIITSLUGER-OFNKIYASSA-N 465.466 0.831 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=C/c5cnc[nH]5)C4)C3)c2c1 1839489316 QUNKNCPYMGGLFX-ZGVNINRLSA-N 461.482 0.941 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2ccnn2)CCO3)c(C#N)c1 1839710682 ONGGVOSUXXRDPJ-GAJHUEQPSA-N 468.514 0.418 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1839716687 WUWQGTALOBAEDU-GAJHUEQPSA-N 479.599 0.866 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(F)(F)CN3C(=O)OC(C)(C)C)C2)C1 1839808591 VGKZHZBUNDOCRQ-YWZLYKJASA-N 457.474 0.721 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)C2)C1 1839810814 SXECYBBRNFOGEV-PRHHBONVSA-N 463.531 0.100 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840008310 FPFVBSONOSGQQA-CLOONOSVSA-N 491.585 0.882 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)ccc1F 1840204541 HVFXTYGJQQJNDA-FQEVSTJZSA-N 486.422 0.375 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1)c1ccc(O)cc1 1840221046 RMPFBNREINDJBK-HOFKKMOUSA-N 498.624 0.593 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251591 NLWVIBCTSKQNFH-CYFREDJKSA-N 494.589 0.535 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)ccc21 1840814081 NEJIXMINDPBMKM-DEOSSOPVSA-N 467.526 0.641 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccno3)C2)C1 1840907443 VHTUAAQSJGVDKR-OPAMFIHVSA-N 462.503 0.661 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843084872 FPBHYVMTDHYHPU-GOSISDBHSA-N 453.503 0.748 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847749132 DMGZEJRQVDLCKM-NUDCOPPTSA-N 470.570 0.975 30 20 JCED N#Cc1ccnc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)c1 29446763 DWQNAUNFQHWCQV-UHFFFAOYSA-N 479.566 0.480 30 20 JCED COc1cccc(-n2c(=C(C#N)C(=O)NC[C@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)c1 502042150 KAWCLYFIDDJPSE-GOSISDBHSA-N 465.535 0.439 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 514367680 YVVYHUNURDRXQI-UHFFFAOYSA-N 456.528 0.282 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)c1C 518712805 BUELZBOWRNXPOL-UHFFFAOYSA-N 476.624 0.351 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 523256583 NGGOMDQREOWFJO-UHFFFAOYSA-N 498.586 0.172 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC)nc1 524275292 WJXJFUFESBXVQE-UHFFFAOYSA-N 450.520 0.958 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCNS(C)(=O)=O 589161417 SRHKYSPUXYNVGE-UHFFFAOYSA-N 455.508 0.465 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828960 UGGWIHYUQTXEHF-UHFFFAOYSA-N 495.007 0.569 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O 608911183 OYWYILWJKHVWJP-UHFFFAOYSA-N 455.359 0.247 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 616169349 ZRGYDZKWTBZHBT-UHFFFAOYSA-N 477.568 0.464 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(OC)ccc1OC 726577157 HFDIGAJVDVZTFR-UHFFFAOYSA-N 497.577 0.696 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 728535029 VRXRHUCCNYMECV-UHFFFAOYSA-N 459.572 0.179 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)ccc1F 914659093 GPQZJCDKLPUFPC-HIFRSBDPSA-N 476.548 0.871 30 20 JCED CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 916711520 OQWYPDVABIGEMS-PTGBLXJZSA-N 450.565 0.785 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 916923869 OLIHKGUEWVUOET-BRTDJILXSA-N 451.479 0.878 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(CN4CCOC4=O)cc3)CC2)cc1 919663860 RUOSEVVFXNPASK-UHFFFAOYSA-N 497.533 0.982 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1315753553 YGQJMTUVDMPJCP-QGZVFWFLSA-N 472.571 0.983 30 20 JCED COCCN1C[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1316121805 ZZEIPOMHRKKLSL-WWMYMODYSA-N 464.592 0.805 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359142850 PJQIFZBHHPSHDR-AWEZNQCLSA-N 453.956 0.998 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1359447291 SPIUKRWHWMFGAP-QUCCMNQESA-N 472.571 0.983 30 20 JCED CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1503697885 NXNVNWXUJJTJMC-INIZCTEOSA-N 480.577 0.549 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)NC(C)C 1541674961 SYBLWTBBTVCVOA-UHFFFAOYSA-N 488.618 0.942 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1541925886 JJBYBZFDOOOZLG-PKOBYXMFSA-N 494.666 0.961 30 20 JCED COCc1nc2n(n1)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 1566302515 ZGFLFKVSVIAMJI-KRWDZBQOSA-N 458.544 0.828 30 20 JCED CCS(=O)(=O)NCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1617395957 OXVXJJSCISNDQE-MRXNPFEDSA-N 461.596 0.987 30 20 JCED CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1620155758 TWICMGFJIUDWDI-RXVVDRJESA-N 461.544 0.894 30 20 JCED CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(=O)(=O)N(C)C)C2)CC1 1710290234 RYJCTUKZSKELDA-OAQYLSRUSA-N 486.646 0.924 30 20 JCED N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1731187728 XCLUXZDVPYTJTB-KRWDZBQOSA-N 475.506 0.844 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1751228744 NJZAMYGBAVJVMY-HOCLYGCPSA-N 466.612 0.227 30 20 JCED CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1769233820 LASLVNCHJIYQNI-QHCPKHFHSA-N 453.547 0.758 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)c2C1 1778368681 LAYWOEQOPSCPJL-XMMPIXPASA-N 484.557 0.886 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778707848 REWUZKRBHYKLEG-KSEXMQBYSA-N 452.467 0.123 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2)c1cc2n(n1)CCCNC2=O 1778916864 VQAXACFGUKHEQU-MIUKFWFASA-N 482.541 0.856 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1778922217 YENYEXZFIAYYJN-QZMQVMSPSA-N 498.577 0.657 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779423927 LXJMQWZGUJVKQH-WHDIMNPESA-N 450.536 0.650 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)ccc1F 1781295732 RERGZZKBTPOFPB-QHCPKHFHSA-N 454.458 0.385 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=C3c4ccccc4C(=O)N3CC1)C2 1782013451 MMECDNFUGZPAAD-KBMIEXCESA-N 463.490 0.859 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1)c1ccc(O)cc1 1783262566 YBQUNTSHDFUFAR-SQJMNOBHSA-N 473.570 0.006 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1783769281 RAUSDSYSOGWKRH-WJONJSRFSA-N 450.536 0.422 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)c1ccc(O)cc1 1784013231 HBKOXQLFBNPCGP-CPJSRVTESA-N 464.522 0.976 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784044720 JPVWTLUHOHUJTC-HPCCJCSGSA-N 476.574 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785725773 XYKSXNMBBRQWON-FAXAYETOSA-N 492.573 0.311 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)[C@H]4SC(=N)NC4=O)[C@H]3C2)c(C#N)c1 1787499545 CHLJBNSSELHXHT-FXKIASKYSA-N 499.593 0.892 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1788637258 LLIHZVLNEYGUJJ-VJANTYMQSA-N 452.573 0.242 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1789955464 KNYFMIZFUOAHBW-VTMBPIDISA-N 453.565 0.569 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3nc(C)no3)C[C@@H]21 1792257435 FLWCOFYOGONTCB-XSLAGTTESA-N 475.546 0.817 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(=O)oc1 1794998241 IQZYBWMOLDUKHG-SFNKJDCFSA-N 459.499 0.760 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795086041 QPDYLQMGGNBIEN-HXFPYSNGSA-N 452.433 0.654 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1796336715 UERYYHMMFXBKKU-APAFKAMOSA-N 481.590 0.785 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)nc2O)c(O)n1 1796344339 SRPNRKHCIFUKPR-FVCICTRLSA-N 455.471 0.624 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)n1 1796617994 KYGQJTFBTCIJFW-SHJAMOMRSA-N 458.559 0.695 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1797119314 CCHUEEVTGICYRU-DAUOMPHXSA-N 479.574 0.232 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C1\C(=O)Nc2ccccc21 1797657818 SLQHGNABNXPLDZ-UWWJSNFTSA-N 450.495 0.470 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1799353401 HVWMTCJCRGTUJK-WOMUVRCXSA-N 498.577 0.381 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1799390553 ZHGRYTPKNQHBLG-FQRJBHLQSA-N 461.519 0.383 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3nnn(CC)c31)C2 1800451419 YEHJOKXTPRGIDH-YYAJDYIMSA-N 472.546 0.355 30 20 JCED C[C@@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778689 BVBRRZZQRUTOPM-LTAVKLCZSA-N 492.532 0.077 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1803508584 ZXHQVLBVBBXHIC-HQPCMUNBSA-N 478.619 0.887 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)cc1 1804339821 BECXIOVTJIOPPT-KNKQGSTJSA-N 460.494 0.800 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)cc1 1807945768 HFBRSEBSKKHBJY-XLIONFOSSA-N 469.465 0.713 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808226719 RLKNFLOBZILMMR-LAUBAEHRSA-N 474.514 0.717 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808469240 LBWUZISLGIPRSP-HXOBKFHXSA-N 459.462 0.968 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1808844880 ATQUMNJHACDHMO-HFTRVMKXSA-N 455.452 0.613 30 20 JCED Nc1n[nH]c(CCC(=O)N2CC[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)n1 1810292252 QVFHPWNCWHHNTE-ARCZTVJNSA-N 453.551 0.892 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)Cc2cn3c(nc2=O)SCC3)[C@@H]1c1cccnc1 1812877952 QZRYTCNMAIXGJR-FOIQADDNSA-N 467.507 0.081 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNC(=O)C(F)(F)F)[nH]n1 1814439479 LPUJWEQCBTXYSJ-FMFIFOJESA-N 456.425 0.939 30 20 JCED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1825248563 ZFQNQQAZSRNQCW-LBPRGKRZSA-N 462.544 0.997 30 20 JCED CN(C)C(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828803387 NIYDCWIBIHUJIE-QHCPKHFHSA-N 470.530 0.623 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1828807833 UXGJPMIVOYXBFM-HSZRJFAPSA-N 480.481 0.867 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1829765045 FLWQXJWFWLWFON-IBLIISRWSA-N 480.525 0.196 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(C)=O)c3)C2)C1 1829773698 QLECAWYRVJYDNB-WEHRJKGCSA-N 470.526 0.573 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@]3(C1)CN(C(=O)C(C)(C)C#N)CCO3)C2 1830061734 UNXVCUSOXRIRRF-XDHUDOTRSA-N 487.557 0.628 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Br)ccc1F)CCO2 1830177340 WNVPWACEZCQZJJ-IBGZPJMESA-N 469.263 0.746 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1830345927 HNYHNOFUFXOSPG-HAGRQHFESA-N 477.514 0.756 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1830640716 GLGWVRQEKKIYGQ-REWPJTCUSA-N 466.531 0.706 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(C)(C)C 1831088251 WGPWODLNKVFNHG-JPYJTQIMSA-N 465.595 0.275 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1831396581 FUMIRXGJHUFUIZ-AOMKIAJQSA-N 464.540 0.572 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1831492579 LMAHLBRDBKZIJM-XMSQKQJNSA-N 461.540 0.846 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1831494115 XXMNGIUGLIUCCX-UWJYYQICSA-N 482.628 0.302 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831693367 XMXYMZIYPUWVMJ-KTYCBKDJSA-N 468.551 0.134 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)cc1 1832799642 AGPHJNVTZSYXGX-JOCHJYFZSA-N 468.470 0.628 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(OC)nn2C)CCO3)c(C#N)c1 1833448313 ZQCQRNCPZKNXOG-XMMPIXPASA-N 483.525 0.622 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833470674 GDJDOOQSSWJVLJ-UHFFFAOYSA-N 460.575 0.856 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833618754 BMRGIKJSVRCNIJ-SFHVURJKSA-N 462.547 0.655 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c(O)n1 1833698264 BLBBJMODDOEBCJ-HSZRJFAPSA-N 455.515 0.873 30 20 JCED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833713437 XKDSANAAMRRQAR-UHFFFAOYSA-N 472.677 0.208 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 1834520298 OZSPILFLVKOUIB-UHFFFAOYSA-N 460.538 0.812 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834560667 OFCNIRXVIDHTEP-QHCPKHFHSA-N 459.547 0.689 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC(NC(=O)C4(C#N)CC4)CC3)CC2)nc1 1834599992 LAASGSIWDRZUFU-UHFFFAOYSA-N 459.572 0.974 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)[C@H](O)C1 1835356585 DXOIAHGKMJKVBQ-DKLXNKCPSA-N 494.589 0.755 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642165 JDBFTWGFILCKGO-MDOVXXIYSA-N 460.597 0.003 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1835677409 QMLBVCOPQIUHAR-JOCHJYFZSA-N 455.519 0.081 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1835718551 PSOFAAHZQBKPOC-QGZVFWFLSA-N 482.672 0.991 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731774 CJLPNSOSVILUHR-NJRDNMGOSA-N 493.605 0.525 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835800247 NLYRSWWZADEJBR-OYHNWAKOSA-N 493.586 0.712 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCO2)c1ccc(O)cc1 1836150322 MLSHFUGBYSYWFC-AUSIDOKSSA-N 468.514 0.032 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1)c1cccs1 1836520599 NHBZQAHDNVZYOW-GNAXCBTBSA-N 489.472 0.622 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CC2)CC1 1836742996 DKGDLJAFUVUFJT-UHFFFAOYSA-N 495.532 0.688 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836893169 INDDRASGDWSEJM-JOCHJYFZSA-N 457.487 0.309 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837382025 WGCFTBVRXZUFRW-QMHKHESXSA-N 475.521 0.404 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1837397710 SMOSBHMEGVVZLS-FDDCHVKYSA-N 461.515 0.496 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1837528206 BDJCZTYCIVSPEC-FPHRNUPISA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837531125 WUCRCUAUIAHBCA-IRCLMUFRSA-N 472.502 0.557 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)ccc1O 1837531219 DYTGBEIQULFGNZ-HEXBWUFUSA-N 477.514 1.000 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1837531463 NHSDEPFPXDLUIK-BTJNRMLXSA-N 498.483 0.842 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1838323383 JYBSMOZXEDTUME-HSZRJFAPSA-N 483.912 0.351 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838333769 NQCAVTCOHPYRLD-YADARESESA-N 490.557 0.859 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838569294 XDCGMRGCIIFLOJ-VFNWGFHPSA-N 452.529 0.224 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838632745 MCZWORJCKRJNPD-QFIPXVFZSA-N 456.886 0.545 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)N1CCN(C)CC1 1839104913 YTQMXGNOYACQOO-HOYKHHGWSA-N 490.004 0.918 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1839172490 SYIRNVBVFCTEDL-LJQANCHMSA-N 453.521 0.159 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)ccc1F 1839187045 GPIAPWMWCVCVQE-VRWDYKOXSA-N 470.501 0.531 30 20 JCED Cc1cn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)c(=O)nc1O 1839363970 FUMGFHBJQDAFEE-XMMPIXPASA-N 481.509 0.094 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476869 MJAJKCIMYLWOMO-XXBNENTESA-N 498.573 0.872 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1)NC(=O)OC(C)(C)C 1839886791 HKIGYGXVGLCUDR-YADARESESA-N 496.605 0.829 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13C[C@@H]1CCN3C(=O)OC(C)(C)C)CCO2 1840039571 YSUAHFOXSMNWKG-QIMADWELSA-N 491.585 0.881 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)C1 1840041358 IAGFANYMZQVCPZ-HXUWFJFHSA-N 470.400 0.672 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840164564 APURUPYJFCELDG-OHUGHZGNSA-N 493.601 0.864 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1)c1ccc(O)cc1 1840221944 WAUDJVTUPWMNKJ-HYBUGGRVSA-N 467.526 0.637 30 20 JCED CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)OCC 1840281586 CXDZJSPCDSPESS-PHPQDFSTSA-N 471.551 0.761 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840807220 DHBKOVDKLFGYFP-QHCPKHFHSA-N 462.547 0.706 30 20 JCED Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819162 SISGWJFEISULRM-QFIPXVFZSA-N 455.471 0.586 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3C)C2)C1 1840909080 MELYGXARNUSEBP-UZUQRXQVSA-N 475.546 0.705 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1841475812 FUFDNYGJPMVZTO-SFHVURJKSA-N 483.573 0.681 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848068684 NEXFXVXTWYCWDH-JYJNAYRXSA-N 463.535 0.600 30 20 JCED C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2=O 18038939 JCLSKYRPOCFZNT-AOMKIAJQSA-N 473.555 0.892 30 20 JCED CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C#N)cc1 26054480 RIBPYDWYMLQYIL-UHFFFAOYSA-N 492.579 0.516 30 20 JCED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 507528062 HLVSYXKEFHVZDK-QGZVFWFLSA-N 456.546 0.137 30 20 JCED COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 518074396 IOZKOKAGBZQUHU-INIZCTEOSA-N 486.554 0.554 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)c(Cl)c1OC 521677313 OCIUZPFIFLUWEQ-UHFFFAOYSA-N 478.958 0.341 30 20 JCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(C(N)=O)cc2)c1=O 523252661 VDTWLPDAQULRHB-UHFFFAOYSA-N 474.542 0.668 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccccc1 604118312 CNWHZSZABAKBIP-MRXNPFEDSA-N 497.598 0.957 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 727007744 GKHJFMSAKGIHSD-UHFFFAOYSA-N 488.497 0.503 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CSc2nnc3n(CC=C)c(=O)c4ccccc4n23)CC1 728534839 WFLLRWBYVBTIDA-UHFFFAOYSA-N 479.566 0.216 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)CC1 728608852 STFKYGMAULAMSW-UHFFFAOYSA-N 485.566 0.076 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)c1 750567283 ZKQHJYPMNNHUCO-UHFFFAOYSA-N 485.518 0.536 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 811831891 ISMQWAMQUHZEIQ-UHFFFAOYSA-N 476.511 0.287 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccccc3OCC(=O)N(C)C)CC2)o1 915381472 YMHCNNWYUNZAHP-UHFFFAOYSA-N 455.471 0.827 30 20 JCED COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 916876004 YCMFSRLMDLZPKN-KRWDZBQOSA-N 467.544 0.966 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1=O 917478066 OSQKRQWSIBXZCG-HNNXBMFYSA-N 460.922 0.900 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 918452031 IPNQZZHLNPEHDT-NLRVBDNBSA-N 487.542 0.552 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 919034468 SNCJWVVWXXAMNF-UHFFFAOYSA-N 462.528 0.241 30 20 JCED CC1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1291183750 CPIBXDUTFYHPPH-HKUYNNGSSA-N 464.640 0.797 30 20 JCED COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1300283599 RSNLOPPAAIMBCQ-UXHICEINSA-N 465.507 0.857 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)CCOC1 1502718956 UYCNBGMQOPUFJW-NQIIRXRSSA-N 481.623 0.435 30 20 JCED CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1517477827 UBLWOJLEGFDHHU-XMMPIXPASA-N 464.574 0.943 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](N1CCOCC1)C(F)(F)F 1611659192 NQPCCMBGVMMGKG-MELADBBJSA-N 467.518 0.890 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC1 1611771789 AQBVLHLLOCVTGZ-INIZCTEOSA-N 450.565 0.559 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)N1CCOCC1 1692539798 PUYBTMZVFPOLOX-UHFFFAOYSA-N 466.546 0.473 30 20 JCED CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1741701946 RWSDGIHSICIFHN-MRXNPFEDSA-N 453.569 0.266 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc2c(c1)OCCO2 1741945334 SOJZMMKSKSWWBJ-ZBFHGGJFSA-N 462.532 0.631 30 20 JCED CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1747971721 PHZOZGPEUDSJTI-UHFFFAOYSA-N 474.587 0.525 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCS(=O)(=O)CC1 1751096283 OWVNQCWTEKQYIL-ZBFHGGJFSA-N 474.609 0.174 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1763275659 SSZHYUMWWXONFB-SBUREZEXSA-N 470.530 0.564 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780938807 PLBVIRWSKPMCHJ-QVKFZJNVSA-N 463.560 0.522 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781354850 JKTSGBVSOGFRQX-HXOBKFHXSA-N 483.562 0.601 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781362120 JUPPDKLPPSVGNN-QQMNAOGKSA-N 464.563 0.907 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)cc1 1781787126 UACSQXPXSBLIHB-QFIPXVFZSA-N 469.523 0.661 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782018101 LEVNPPNDFZEFII-YGKZAACZSA-N 463.531 0.988 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)NC(=O)OC(C)(C)C 1782751294 WQCLCOGYFATELR-MWTRTKDXSA-N 496.561 0.219 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 1783132423 UWYJYZLRINPKME-MFSJNOQSSA-N 454.527 0.977 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C(F)(F)C1 1783565751 PTASICJPBPKLDF-QVKFZJNVSA-N 485.484 0.797 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cscn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567682 WIASLIWHTGLUSA-OPAMFIHVSA-N 492.554 0.497 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c(C#N)c1 1783929351 LUHXSPKUADHORY-XZOQPEGZSA-N 459.499 0.555 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)c1ccc(O)cc1 1784018963 SHZSZBHFDNHXJJ-ZHRMCQFGSA-N 473.526 0.784 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCNC(=O)OC(C)(C)C)[C@H]2C1 1784339420 ISEDMGKDBBAOGF-MUGJNUQGSA-N 481.590 0.936 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2)C1 1785596358 QKIPLCXWCLUSKX-HPCCJCSGSA-N 493.605 0.993 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c(CC)c3I)[C@H]2C1 1787134974 ISQROBNMINWBIP-GVXVVHGQSA-N 456.284 0.803 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nnc4cc(C)nn4c3C)[C@H]2C1 1787910831 JKFAGGNVALCDIZ-SKNOTLCPSA-N 467.530 0.193 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788680172 URHALMFSCCBOQZ-JFLGHEQZSA-N 464.519 0.521 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC13CN(C(=O)OC(C)(C)C)C3)C2 1792490421 SXUWQHRWILPLKO-VCNBQAEXSA-N 488.585 0.691 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CC(N)=O)N(C(=O)OC(C)(C)C)C1 1793432799 DASMHBBDSTZRJZ-LVEJAMMSSA-N 464.563 0.653 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O)NC(=O)OC(C)(C)C 1796325484 XLMNRYVQQWNYCK-KMOPNRPKSA-N 481.594 0.882 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)CC)C2 1797669247 NFNOWCDREYPSIM-KYHPRHEASA-N 496.561 0.361 30 20 JCED Cn1c(=O)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)c2ccccc21 1797741806 AKRLEODWBHYGKU-INOOVHSBSA-N 468.558 0.401 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)C1 1799200329 TXQDJOADABNVGL-CHASIVTLSA-N 490.557 0.516 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1800996829 XAMDCVIRJRUVCR-WWNJNWKKSA-N 457.593 0.814 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)CCOC1 1801983252 QNJAZDLQOJOONX-BMCPXHGSSA-N 462.547 0.954 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1802147524 BZBDSGMSNWYXDR-WEMPKCCASA-N 499.568 0.459 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c(C#N)c1 1804093911 JQMGZEHNBWJJSY-MHECFPHRSA-N 490.520 0.762 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807952479 SALPYMNVWQQTSX-VGSWGCGISA-N 499.491 0.478 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808358160 XFKAWDLWTYJLSG-MBOZVWFJSA-N 474.514 0.715 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCNC(=S)NC)[C@H]1c1cccnc1 1810310202 UZIHQIBJBVHSRH-KVANESHQSA-N 458.588 0.430 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)nc3cccnn23)[C@H]1c1cccnc1 1811334515 OWLHQKSLSADKOR-RADWXHQJSA-N 460.494 0.842 30 20 JCED O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)c1cc(=O)n2[nH]cnc2n1 1817468584 FAKMPHFMNVRDAU-PLVXZXGYSA-N 466.506 0.918 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cn3c(nc2=O)SCC3)[nH]n1 1822202597 WXODKOJUYVTTCL-AWEZNQCLSA-N 456.484 0.395 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824974528 JVYMMBALMORHRG-QUCCMNQESA-N 455.621 0.928 30 20 JCED CC(=O)NCCC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828808088 JCNMEPAQNLLHJC-QHCPKHFHSA-N 455.515 0.878 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828811244 XJGCUWXSOLAVLG-BJKOFHAPSA-N 486.525 0.968 30 20 JCED Nc1ncc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)s1 1828988202 ORMMHKZHCIFJFN-HSZRJFAPSA-N 497.533 0.879 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C2)C1 1829763006 XQAKPANPTPHMGP-HMLKYZKVSA-N 494.589 0.605 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CSCSC3)C2)C1 1829770517 VDMAXHPBIYGGBQ-YANDHHFUSA-N 484.644 0.344 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1830297364 YEVHPCRMJXLKIF-PNLZDCPESA-N 455.552 0.947 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830661253 FUVUONXOCPJWLS-CYFREDJKSA-N 456.543 0.906 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccccc3C(=O)OC)CCO2)C1 1830888491 VEMCSXYDCRYGBY-CLOONOSVSA-N 472.538 0.901 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831222812 HPLGRQUWHRJUKL-XMMPIXPASA-N 456.495 0.722 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831742427 UBTYASUQRSOIBT-HJPURHCSSA-N 489.529 0.169 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1831998661 QHSURBMOLHFGIH-HXOBKFHXSA-N 483.562 0.865 30 20 JCED CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1833453943 LAGUQPJIXKUDQS-UHFFFAOYSA-N 467.632 0.691 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1833468519 UEIXTSPEGFLIEP-IERDGZPVSA-N 465.547 0.091 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(F)cc3)CCO2)C1 1834962512 RMAXFCYIQUVFND-HSZRJFAPSA-N 462.522 0.943 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1835102264 KCIIOZIVJJTGQM-XMMPIXPASA-N 480.477 0.265 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835352371 WDRBBVWGFYOTQZ-QHCPKHFHSA-N 498.577 0.304 30 20 JCED NC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccccc1 1835815231 CIGLNPFLBHJVSS-CDKJSTAOSA-N 474.558 0.714 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)n1cccc1C=O 1835955546 KRVINVQEVDQQDY-MGAYMBGMSA-N 476.530 0.847 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n(-c2cccc(=O)n2C)n1 1836260272 ZBHXQCZYJRXCOD-XMMPIXPASA-N 480.525 0.253 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1837116456 DWDALWBMRGIKPP-KRWDZBQOSA-N 464.519 0.093 30 20 JCED CN(CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(=O)OC(C)(C)C 1837441928 JENTYLUYWICKPH-NHMXVPMISA-N 481.594 0.781 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1837489274 BOMMSRFUAQRPMV-XMMPIXPASA-N 457.527 0.003 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492712 PQEJXYMOBMESIF-JBELXZHTSA-N 499.564 0.912 30 20 JCED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527701 TUTSXYVEKOPEFU-XMPRZIBXSA-N 451.480 0.164 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1837530963 ADXWGLLDAQQUJX-WGAVVDLZSA-N 467.910 0.729 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)C=C)CCO2)C1 1837704554 XJGMDYVGTPUIPX-LLJLJFOGSA-N 492.573 0.050 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837759086 PABDMOOGYBOYJT-HSZRJFAPSA-N 476.530 0.504 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(N4CCOCC4)n3)CC2)CC1 1838145274 FQLBZULNYKLTBK-UHFFFAOYSA-N 470.526 0.618 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1838322583 BSUUGXCTLHIKTP-DEOSSOPVSA-N 478.509 0.150 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838628200 ZPPYLCJZDFNMRA-UZUQRXQVSA-N 491.497 0.967 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736188 PIXRLIGHIYEHKN-MBSDFSHPSA-N 491.545 0.496 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742634 KNMXVJXEFWIKTQ-KOSHJBKYSA-N 485.541 0.873 30 20 JCED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)c1OC 1838841472 YBKALZROLWTUBF-OPAMFIHVSA-N 464.519 0.970 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C(/C)C(=O)O)C3)C2)c(C#N)c1 1839133588 XVIQDEZKGGKDRM-VJESUMGBSA-N 457.483 0.597 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1839174407 ZTBIGWJRPWSLSZ-OAQYLSRUSA-N 466.466 0.362 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1839228075 SCGODNGRANMDFA-HTAPYJJXSA-N 458.519 0.909 30 20 JCED Cn1ncnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401012 MTVURSWWIYFRDU-HXUWFJFHSA-N 489.330 0.833 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432729 YPLPCEGMBTVAQZ-BNOLWBGWSA-N 479.917 0.680 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1839889526 YLXOKVIPWKYIBN-FQEVSTJZSA-N 465.457 0.612 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1840230159 AZRQYCZARYGRJA-UZUQRXQVSA-N 456.499 0.163 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)cc1 1840406662 HVEDYRGGOGNNKR-QHCPKHFHSA-N 451.483 0.426 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CCCO3)CCO2 1840658625 DJZCQAKJYINRIF-CNXHMKESSA-N 469.538 0.940 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CC1 1840816677 HFPRVQRMSUCNNQ-QFIPXVFZSA-N 450.536 0.861 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1840818596 KYDVYRCUSDDRED-XMMPIXPASA-N 498.561 0.885 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840818854 BPWUNDDZZLNZNO-QHCPKHFHSA-N 453.451 0.660 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840901263 CJZOHVPHSIMDLX-KDYSTLNUSA-N 497.592 0.960 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1840908839 IKLDAUKSSOZBFB-XFAGBWLFSA-N 492.573 0.050 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCC)C2)C1 1840913052 VQUGSQNSYBZKMV-NLSFWIRASA-N 467.563 0.949 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@H]2C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623326 DBADTRNZNHJZKZ-INIZCTEOSA-N 459.547 0.867 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CCCC34CN(C(=O)c3cc(C#N)c[nH]3)C4)csc2n(C)c1=O 1845014311 SZCKMCLLFLLAAF-UHFFFAOYSA-N 466.523 0.558 30 20 JCED COc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C(N)=O)c1 60271608 WXVVFPKXICNHIX-UHFFFAOYSA-N 458.496 0.578 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1CC 410011174 LUBPEKQZMHZBSC-UHFFFAOYSA-N 455.536 0.904 30 20 JCED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC(C(N)=O)C(N)=O)c1 486520604 SQVPFAZCMVAHRJ-UHFFFAOYSA-N 450.904 0.790 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC1 506623277 CNIADPBALRYUST-UHFFFAOYSA-N 488.552 0.694 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)cc1 516421714 RXNHRMOIKWJSMJ-KRWDZBQOSA-N 479.603 0.491 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC1 519069289 IBDRSWXUVAXUPE-UHFFFAOYSA-N 455.496 0.058 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 523256803 WOOAYJNMMDFLAZ-CQSZACIVSA-N 485.591 0.457 30 20 JCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCNS(C)(=O)=O 589161425 TYJILOJKNNDUID-UHFFFAOYSA-N 489.619 0.902 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 812613955 BWQGIXKOVWBDCC-IBGZPJMESA-N 470.507 0.887 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 838976285 CHUFYGPWOJAWDW-INIZCTEOSA-N 484.538 0.868 30 20 JCED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 916938854 OFCVHIUSYUVPDL-GFCCVEGCSA-N 458.862 0.833 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917763721 VIWTZNMCDLMJOL-UHFFFAOYSA-N 454.600 0.714 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(=O)N(C)C 918730275 WJGNPSMJQJZNPG-UHFFFAOYSA-N 480.468 0.702 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)c1 927573271 OJGOTMRRAWNQMC-DOTOQJQBSA-N 470.569 0.569 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1315654533 QPXKPYCFDCVHBU-INIZCTEOSA-N 464.548 0.922 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCSCC2)CCCC1 1360714458 PYOKGJWXHWZUSG-IRXDYDNUSA-N 483.664 0.979 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 1442031875 MNHQNZUPVDLHKN-SJCJKPOMSA-N 459.450 0.915 30 20 JCED CS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1505135692 QZVUGLSVAHKAML-INIZCTEOSA-N 496.590 0.562 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1554451527 IVOXTTNCZFWASK-RBUKOAKNSA-N 488.570 0.647 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(OC(F)F)c1 1611711538 PRRJDUKVUQMKPC-DGCLKSJQSA-N 457.463 0.662 30 20 JCED C[C@H](CC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1634456785 SAEBTDDVLFZUHM-CABCVRRESA-N 454.574 0.530 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1723661435 PCCIJCRMHYEJJT-INIZCTEOSA-N 462.532 0.773 30 20 JCED C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N1CCOCC1 1723861086 SAJHCKKKUBIKDH-KRWDZBQOSA-N 460.560 0.684 30 20 JCED CCN1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1728573477 XBHUBPGZUFAWSL-TXPKVOOTSA-N 455.560 0.395 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1731011012 WANXWOAYDMUNJM-QGZVFWFLSA-N 478.600 0.723 30 20 JCED CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1750526990 VQGNGZOUKYWTIN-UZLBHIALSA-N 485.586 0.164 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC5(O)CCCCC5)C4)C3)cc2C1 1779066906 HZKIOPMSUAHTPI-VWLOTQADSA-N 469.586 0.861 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC(=O)NCC)C1 1779321809 JHLRXPDFTCUHNE-DRSNIGMVSA-N 452.552 0.717 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781045380 PBCJUJPFAQOORI-UAKAABGRSA-N 478.590 0.236 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1781265570 QXFXSEJEDRRZBM-NPMXOYFQSA-N 474.514 0.332 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)n1)CCO2 1781267944 BQEVHNORMYTSIG-DEOSSOPVSA-N 472.542 0.871 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncnn1C)C2 1783269054 WQNZDYDEJFDWDA-YGKZAACZSA-N 474.562 0.859 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1784087844 AVVIDAQXHIYPCJ-IUKKYPGJSA-N 497.614 0.959 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C[C@@H]21 1784482106 ARXSIBSKDDORGQ-DNUAJFIVSA-N 458.540 0.757 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cc([N+](=O)[O-])cn4)[C@H]3C2)c1 1785217772 IOKRMRCBOMJMHK-YSSFQJQWSA-N 468.470 0.965 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787430516 BJCYTHZQKVTUSJ-LLLHUVSDSA-N 489.529 0.398 30 20 JCED CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)COc5ccccc5C#N)C[C@@H]43)CC2)CC1 1789808911 SSMKUPCHEXTBNE-FUDKSRODSA-N 481.597 0.697 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1789912155 PWODDKBXJMATSH-BURNTYAHSA-N 497.556 0.524 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cnc2c(c1)CCNCC2 1790619004 XKJZCOHZPGXUTO-GGEKLTRPSA-N 485.585 0.892 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)Cc4nnn(CC)c43)C[C@@H]21 1790788935 TWUQAEHCQFWMTG-DWRORGKVSA-N 486.573 0.745 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1 1790843870 OOXRFQAJEYVFBL-XSLAGTTESA-N 452.552 0.572 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)C[C@H]2C1 1791010863 URINWMPPUKUVDS-BRHFBXIFSA-N 475.542 0.701 30 20 JCED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)S)[C@H]3C2)n(-c2cccc(=O)n2C)n1 1791259103 PXNGEECXIRNQIS-OVWQWFNUSA-N 459.572 0.791 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)C2 1793348044 XWTHFSMYJUBKHC-FLIUJYPFSA-N 461.559 0.727 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(Cc2cccs2)C1 1793973902 IWFZFWXXIXLIGJ-DCXXXQMHSA-N 487.626 0.968 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795443662 IJYKZRXKASSTAF-XAPVIXHLSA-N 493.649 0.683 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1C)OCCO2 1796245982 SWDRTMOHHYRLPY-OIQBNGKOSA-N 455.511 0.828 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)NCC(C)C 1796462551 GLQFDRNDNSNGCY-XMTFNYHQSA-N 466.579 0.818 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1797121610 QYLPKEWGBBTTJF-XQPJFTJZSA-N 463.575 0.997 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 1799523323 FKMYULKHAMPKJN-DPIQGUFMSA-N 466.244 0.649 30 20 JCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)C(F)(F)F)cc1 1801032573 ZJRRKIWYHJXYSR-HGKCTWBKSA-N 452.433 0.759 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2)NC(=O)OC(C)(C)C 1801931280 BNBCYGTUZQENLF-DARIXABFSA-N 498.577 0.500 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1802025245 VJMLLMUOCBLIQE-SFNKJDCFSA-N 479.578 0.331 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1802256647 SRXQMBWYPJQIBS-LJCCNALRSA-N 463.531 0.701 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1804186056 GTOWLWKCIOZCDT-VRUFFWHVSA-N 472.502 0.168 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1808463473 FTAFCMMPUQDTOX-WIYYLYMNSA-N 483.525 0.868 30 20 JCED Cc1ccn2c(=O)c(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cnc2c1 1809395058 BMMOBOQEXLWHMG-VGOFRKELSA-N 459.462 0.806 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)[C@H](O)N1CCOCC1 1810353974 MTWDODBXQZQUOZ-UEYQOQCHSA-N 458.563 0.210 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c(O)n1 1812714426 VKCZVOVQPXSDHF-RDPSFJRHSA-N 497.596 0.907 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1814208223 QWXIRANQEVBOIQ-BJLQDIEVSA-N 482.545 0.691 30 20 JCED C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1)N1CCN(C)CC1 1814982198 KVCUPKSOATVWTA-HOTGVXAUSA-N 461.636 0.973 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)CC1 1823749903 ZYVAAMIDWNRNAG-BOECQMNCSA-N 484.601 0.935 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829532601 VVNJPEYRPOIDEY-DZHDYZGWSA-N 451.474 0.902 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncc(C)c3)C2)C1 1829764619 QJKIHIULJYLBJH-ZKWSMMDQSA-N 456.543 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](OC)c3ccccc3)C2)C1 1829765281 RORDRGBWZDKAGS-VZSVWMAUSA-N 457.527 0.689 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)C1 1829769971 AGIHOFFMSOVDGN-UHKPCRMSSA-N 493.564 0.860 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c1 1830458309 ABDGFOMQYAXKMQ-DEOSSOPVSA-N 454.527 0.570 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830586541 SRXPYPUZCSQPGS-FHDOQAETSA-N 493.601 0.911 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)c(C#N)c1 1831465168 YJALNNRAGBHBIR-GAJHUEQPSA-N 493.582 0.246 30 20 JCED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)c1=O 1831887734 DHEFXXYTYXGHME-XMMPIXPASA-N 468.485 0.709 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1831998341 MXTXTOZVYJEKBU-AOMKIAJQSA-N 478.550 0.355 30 20 JCED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338262 CFIYPDAYHRIJLV-AOMKIAJQSA-N 450.536 0.907 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835356701 HELQFXAQHMLKJZ-STSQHVNTSA-N 480.562 0.364 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835483006 YEKFSWJLNXJZCW-UHFFFAOYSA-N 463.623 0.315 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1 1835731758 BFILLCPEOHSLED-WGOQTCKBSA-N 471.562 0.832 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1835765460 KCYROWHWMVQRBE-LQDRLVSNSA-N 463.579 0.613 30 20 JCED Cn1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c(C(F)(F)F)n1 1835924982 ZEORPUGVXKGVQQ-UHFFFAOYSA-N 455.437 0.712 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)Cn5ccccc5=O)CCO4)C3)c2c1 1835998984 FPRXADNDXYPIHT-XMMPIXPASA-N 476.493 0.366 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(C)=O)C2)C1 1837341791 KPFZCMQBWYDOGT-VGOFRKELSA-N 484.550 0.268 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1837524638 KVSHMMORVIEJKY-BXVSRXIOSA-N 489.525 0.812 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1837525323 UKHGJYCFBHHTAP-VWMKTKPBSA-N 480.562 0.374 30 20 JCED CCc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)co1 1837531306 IMUBVDWSWKPJAA-XZCAYTCKSA-N 450.492 0.836 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837767676 CXMZVCALIRLFQS-QJKPHDSHSA-N 480.468 0.172 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1838367182 SWFLOSKJDIDIIW-UHFFFAOYSA-N 462.551 0.828 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2 1838468992 WVRHZLIVAUDGAI-QHCPKHFHSA-N 473.530 0.384 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838568635 JLLHUFXJPZCIHO-CJFMBICVSA-N 490.553 0.479 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)CC1 1838949903 CCKFKCQKXIDBIP-XMMPIXPASA-N 455.559 0.266 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839139626 OBYOPXSTNPPHPQ-QRWLVFNGSA-N 461.581 0.302 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO3)c1 1839387136 ABNSERSYZVROBJ-CYFREDJKSA-N 488.541 0.780 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(N)=O)C3)C2)ccc1Br 1839401442 HLKOSQVENIGWAB-LJQANCHMSA-N 480.319 0.059 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839435166 POTOQVTUOLVPCI-FDDCHVKYSA-N 455.515 0.928 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488913 KGBIABUCWLQRGU-XMMPIXPASA-N 476.493 0.517 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630051 DXTZNCYBDPFVSU-GTBXIFBCSA-N 472.502 0.557 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cc3cccc(O)c3)NC(=O)OC(C)(C)C)C2)C1 1839809654 FFDDVWSMMCSQOL-NBGIEHNGSA-N 487.553 0.918 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1)C(F)(F)F 1839891932 HTGSGYYSKSFEIP-GOSISDBHSA-N 477.461 0.674 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840105592 GNQMSFNYTYKTDW-XMMPIXPASA-N 461.559 0.154 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)COCCOC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251775 YBCUPAIREMXQCJ-CYFREDJKSA-N 497.589 0.671 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840820585 YNHORFNHXGTRNK-NRFANRHFSA-N 463.512 0.211 30 20 JCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CS(=O)(=O)N3CCCC3)C2)c(C#N)c1 1843414106 ALOFUPREBGAIEC-UHFFFAOYSA-N 460.556 0.738 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1844235827 AESWECRSQDCWKG-SJORKVTESA-N 494.637 0.919 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2CO[C@H](CC(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)[C@H]2C1 1846150423 ZZOPRXRZCCVMDO-OKZBNKHCSA-N 475.542 0.940 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1847436393 QEAQOTNSNUNYPS-RSAZBVMPSA-N 472.542 0.897 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 609074998 ZUYRCYZBGJSJGJ-UHFFFAOYSA-N 478.496 0.977 30 20 JCED CCS(=O)(=O)N(C)CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1 726888467 MSSHUWBADCVTQS-AWEZNQCLSA-N 457.578 0.829 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(CCc3cccnc3)c2=O)cn1 727814772 YZMYTDKUAQAUQB-UHFFFAOYSA-N 457.519 0.818 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(F)c(F)c(F)c3)c(=O)n2CCOC)CC1 728039452 KPPVFSLBBIAZAS-UHFFFAOYSA-N 480.512 0.641 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCS(C)(=O)=O 729674444 HHYIKAJTZZYOEH-UHFFFAOYSA-N 496.408 0.522 30 20 JCED O=C([C@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCSCC1 747440249 AIESANDMTHRFDY-CQSZACIVSA-N 454.599 0.592 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc(C)cc2C)CC1 838956569 OIOJYTRHHBEYSD-UHFFFAOYSA-N 476.606 0.917 30 20 JCED CCN1CCN(CCCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918270376 KQAWJBCOJMDFGE-YYADALCUSA-N 492.646 0.972 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)C1 1288977642 QNJKTPZDTUBKHK-HNAYVOBHSA-N 467.621 0.738 30 20 JCED CC(C)(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302314219 PPBHGQMOYVLZHT-KRWDZBQOSA-N 463.608 0.904 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1360682177 XMJPJJSSDQBNBZ-FZKQIMNGSA-N 470.552 0.782 30 20 JCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1508238067 VWFPCGUOKVJUSD-SFHVURJKSA-N 457.560 0.767 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CN4CCCC4=O)n3CCC(=O)N(C)C)CC2)c1C#N 1511662415 JEKPYBQVERQMHE-UHFFFAOYSA-N 468.566 0.119 30 20 JCED CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1705961514 YXOPYXZCTLWQOW-LJQANCHMSA-N 451.531 0.980 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C1 1710348075 VFXGOTIZDDCABK-KRWDZBQOSA-N 478.600 0.912 30 20 JCED CC(C)NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1723645874 LJPXSYGFEGRGKA-LJQANCHMSA-N 450.547 0.948 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)Cc1ccccc1 1723935954 UPAQTAUZJPPXSJ-KXBFYZLASA-N 484.579 0.945 30 20 JCED N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)CC1 1750384830 QLWAIIKSYZRRJC-INIZCTEOSA-N 493.540 0.760 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCOC2)c1 1768523492 JXIHLWKZKNIGTI-WOJBJXKFSA-N 464.523 0.789 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)c1nc2ncccn2n1 1778586448 JLHJACNRLDAGAC-WZONZLPQSA-N 466.542 0.950 30 20 JCED Cc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)c(=O)[nH]c1C 1779358999 OKOXLHMHSQDNTR-UVMAWDFBSA-N 458.563 0.986 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(=O)ccn4C)C3)C2)c(C#N)c1 1780104596 XGEOQKOBNWMFKQ-DEOSSOPVSA-N 450.495 0.952 30 20 JCED CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C#N)cc2Cl)C1)C(=O)C(=O)O 1781106941 RQMIBIXQVSABKX-VGOFRKELSA-N 476.917 0.882 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781255768 HRVWEMTUJBCFAK-ZPGKAZOCSA-N 450.536 0.420 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1781295762 PJXJABUYRMOYPG-QMHKHESXSA-N 496.561 0.219 30 20 JCED COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1783666480 IUZSTWXMVNCRFQ-XMMPIXPASA-N 475.542 0.837 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1783765878 BRJNBOLEGIVUSG-ZMPRRUGASA-N 468.551 0.348 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)[C@H]2C1 1784191867 LUTPVNAPYMVUDO-HVTWWXFQSA-N 479.574 0.640 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)c3cccn3C)C2)C1 1784615405 AGMXKMGCSYQPNJ-XDHUDOTRSA-N 472.542 0.954 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1785596083 CVMYSQPUGVBKJR-ZPGKAZOCSA-N 450.536 0.420 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1785598744 XKXJGVHFRQJIBN-VYXDICFBSA-N 475.550 0.533 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1786743540 ADSZCXGZHDCWQJ-XSLAGTTESA-N 464.563 0.620 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)c(C(F)(F)F)n1 1787198119 OIVOPWZUULJUKQ-RCBQFDQVSA-N 491.426 0.490 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787496464 XJQGJMBCPUUNRU-CPERWTOYSA-N 481.575 0.298 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788813556 OPOHFWXMGHSOPB-MPGHIAIKSA-N 454.443 0.862 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C)C2 1793343265 QHFYDMXVUXWSJQ-ZBLLQYKHSA-N 467.538 0.962 30 20 JCED CCn1c(-n2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)cc2C)cccc1=O 1795418938 QVZZSVYDYYCWLA-FAQVEIGNSA-N 452.515 0.869 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@H](N)C(N)=O)ccc1Br 1795635550 DPYBRPMINCOUMW-KPEUIFRASA-N 478.347 0.117 30 20 JCED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994356 DPUPYBRMNYTZDN-DRXBFXEBSA-N 484.504 0.659 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796076452 AHFYRCNFFSWAAF-UKBAYJJMSA-N 465.572 0.403 30 20 JCED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccn3c(O)nnc23)c1 1796288785 LZRNECRWRGMVEY-ZSBFGKGUSA-N 450.430 0.963 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796889822 SHTONBHRBZARTK-RDGPPVDQSA-N 496.630 0.967 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1 1797250056 LUFOXPOFSMYAGC-MQFRRQCYSA-N 463.538 0.991 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2 1797709362 BOGZRXBZEDOYES-OYNZLANYSA-N 497.589 0.606 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1797817993 FJPXJTOQXZCDFU-AZMGCGHJSA-N 496.520 0.848 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2)c1ccccc1 1797876733 YYDYRGPYNCJIEI-YRPNKDGESA-N 461.522 0.976 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1799334701 SWSGLEAQIITJPJ-RCLSDMTESA-N 483.529 0.134 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C12CCN(C(=O)OC(C)(C)C)CC2 1800708802 SWGKEUJZXMQAAT-AJYBTWMASA-N 490.601 0.915 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1802125857 YJORURFOQVGJAK-NBMJBFSESA-N 482.541 0.849 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1802129090 YZHVNMUQLZCNBT-CRSSMBPESA-N 491.633 0.129 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)ccc1F 1804190376 NATMPFUVYWVYLK-GAJHUEQPSA-N 478.484 0.893 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1812712632 PNFBOTNFAKIKFG-ZEQKJWHPSA-N 479.581 0.878 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3ccc(C#N)cc13)CC2)C(=O)C(=O)O 1824676717 CLLJFLVZLKBGSJ-NSHDSACASA-N 481.494 0.660 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)cc1 1829634728 WUIBAVDYMCKJJU-QHCPKHFHSA-N 454.483 0.741 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1830382857 KNBVJPUOHLEPES-ROUUACIJSA-N 465.547 0.970 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c1 1830461365 DTZXOHXQFABFJA-QHCPKHFHSA-N 454.483 0.741 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830677549 GIJSTZYUOQGSNT-GSVYRSTFSA-N 485.581 0.889 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)C2)C1 1831388479 YUOQGOPSIHOEKS-KSFYIVLOSA-N 463.462 0.771 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1831421642 NMALSQOSFNGMHO-HTAPYJJXSA-N 455.552 0.901 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1831498680 OPNWZYHAPRDBCG-YJBOKZPZSA-N 461.631 0.258 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1832000446 PKAASBUFYSHGRA-WZONZLPQSA-N 482.578 0.438 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1832462742 VFMKKWQUZKEGSG-GOTSBHOMSA-N 499.630 0.734 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)CC2)CC1 1833056339 LJJRMZDHNAYERQ-PMACEKPBSA-N 462.591 0.809 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1833074372 MALSJGOIPHWECS-OSJSJHBBSA-N 468.620 0.097 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833570304 OINUWPFVAGPBTL-KKSFZXQISA-N 452.483 0.426 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 1833769758 RWZRBJQGNONMBH-GOSISDBHSA-N 457.575 0.974 30 20 JCED CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCOC1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834760325 JLVWPILOBFWTBB-YZZKKUAISA-N 480.562 0.676 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835351913 FBBFBEKVCXXVLO-GLYQVZKVSA-N 494.589 0.755 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1835677099 INQYDOWQTAZSDN-DEOSSOPVSA-N 472.542 0.810 30 20 JCED CCS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835765189 ALWONIYRIBJUOO-ODAUKNCYSA-N 472.608 0.522 30 20 JCED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)N4CCOCC4)CC3)CC2)ccc1F 1835765969 DUTFNKABPNJTBH-VWLOTQADSA-N 487.576 0.462 30 20 JCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)Cc4cn5c(nc4=O)SCC5)CC3)CC2)CC1 1836339239 RNJFPUCIGOAJBA-UHFFFAOYSA-N 470.599 0.767 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837198168 XVFJPKRROIINCV-QFIPXVFZSA-N 455.519 0.310 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1837492685 OTURRNSVQFKQGK-LZCXECNNSA-N 487.597 0.542 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(=O)Nc2cccnc2)CCO3)c(C#N)c1 1837630316 PSDMRMUZNYVOKS-VWLOTQADSA-N 493.520 0.599 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869476 UAHAPUYNGVRRIC-NRFANRHFSA-N 494.589 0.762 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838424949 ACHNHENSBJWSKT-PIVQEWKSSA-N 472.502 0.328 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)Cc1ccccc1NC3=O)CCO2 1838443538 VKWGPYYPEWVNMG-RUZDIDTESA-N 477.521 0.981 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838507514 YIWFCLWEQLONCL-YOXWTLATSA-N 472.527 0.015 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)CN(CCO)CCO)CC3)CC2)c1 1838535365 WKMPUGNEFRSZGO-UHFFFAOYSA-N 488.585 0.466 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)CCO2 1839139629 ODQGHIMPRVZUAX-QHCPKHFHSA-N 483.562 0.024 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1839173432 PIXUYHKAMURZSF-MSOLQXFVSA-N 452.426 0.266 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1839176412 NFJKECZTMFHUGM-BAEUJYSMSA-N 497.548 0.862 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204495 RWHKQDNJFTYLCM-IXFSTUDKSA-N 469.579 0.931 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2)c1ccc(O)cc1 1839216511 YCYAKTABBPMIOK-YBXDKENTSA-N 483.565 0.966 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2 1839761905 JAQJZWUJGMBZNT-OAQYLSRUSA-N 452.504 0.296 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1839784780 VMDCWPCULVUTIE-SIKLNZKXSA-N 461.540 0.514 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(C)CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1839805578 LXSHFMLCAYBKTC-NLSFWIRASA-N 465.547 0.084 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840016234 RELBCOUGHDQICF-BSRJHKFKSA-N 465.547 0.538 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccc(Br)cn34)C2)C1 1840042247 IOCDJNAOEHMDQF-FQEVSTJZSA-N 491.298 0.255 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CS(C)(=O)=O)C3)C2)cc1C#N 1840763059 FLXRYNGOQOUFCP-JOCHJYFZSA-N 479.555 0.460 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)cc1C#N 1840764090 IOJLAMHWQMZQCT-CLOONOSVSA-N 484.553 0.942 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)c1 1840897045 IUTJWPFIHMNFHB-QFIPXVFZSA-N 488.591 0.797 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1841055799 WGTJTNLAVYSVJI-XZVRFQMRSA-N 469.542 0.684 30 20 JCED O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542732 VPXPRDKJBIGJGZ-UHFFFAOYSA-N 457.552 0.938 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842815427 XQILOQPPPSSUKK-OAHLLOKOSA-N 450.540 0.835 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1)C(C)(C)S 1843085147 JVUMJHCKPONLSJ-CQSZACIVSA-N 453.569 0.478 30 20 JCED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1846256626 ZTLBTWWNDNQOGD-UHFFFAOYSA-N 454.568 0.168 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)N(C(=O)OC(C)(C)C)C1 1846449078 MCTYCJXENQVIMA-HNNXBMFYSA-N 472.479 0.480 30 20 JCED N#CCCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccccc1 110893275 RAEKOSBORAPBJP-UHFFFAOYSA-N 487.538 0.938 30 20 JCED Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCN2CCOCC2)c1 502014672 FUABCRFHUNMBKL-UHFFFAOYSA-N 463.563 0.670 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc4c(c3)CCO4)c2=O)cn1 523860950 NLJGRUHQXKVUFO-UHFFFAOYSA-N 477.546 0.412 30 20 JCED COc1ccc(-n2c(=C(C#N)c3nnc4n3CCCCC4)sc(=Cc3ccnn3C)c2=O)cn1 608884002 OROIPWHWAYXTJD-UHFFFAOYSA-N 474.550 0.905 30 20 JCED N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 609430600 BUVUUKROUAZOHU-UHFFFAOYSA-N 455.496 0.834 30 20 JCED C=CCn1c(S)nnc1Cc1csc(NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)n1 725882758 SEIKHBQYDHAKAK-UHFFFAOYSA-N 468.590 0.759 30 20 JCED CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2OC)N(CCCNS(C)(=O)=O)C1=O 726396616 UDUXOSNPDQVRCK-HNNXBMFYSA-N 458.562 0.711 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cscn3)c2=O)c1 726583003 YTAJIRWYJLXHLC-UHFFFAOYSA-N 450.545 0.993 30 20 JCED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2CCCN(C)S(C)(=O)=O)cn1 730725722 YERCZLHPTMYQIJ-HNNXBMFYSA-N 494.603 0.935 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 838247827 MMQLAKXFMLYBRU-LBPRGKRZSA-N 479.942 0.592 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)nnc12 913166043 GTRFKSODRNYSPB-HUUCEWRRSA-N 498.565 0.978 30 20 JCED Cc1occc1C(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 917315430 BOKMZPPLDNXSAK-UHFFFAOYSA-N 474.495 0.266 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CCS(=O)(=O)CC2)c1 918164549 WISQTDYKRBOQEH-DYTRJAOYSA-N 456.590 0.949 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 918297136 FCWNTNBZZFDHNH-LTXLMFNASA-N 491.570 0.288 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(OCCO)CCOCC1 1138748585 WRQWXZFDNBTMAV-KRWDZBQOSA-N 453.561 0.958 30 20 JCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286538582 QQQAEDVYXJQTEI-DZGCQCFKSA-N 466.384 0.927 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)CC 1292126690 SEJRDGDCDGZMFZ-KRWDZBQOSA-N 451.597 0.808 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301017317 IGTVKGZJQIBLLP-CYBMUJFWSA-N 468.971 0.461 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1316353534 IMIQYRHYXFAZBB-GOSISDBHSA-N 462.532 0.226 30 20 JCED COC(=O)C1(C#N)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1460027707 OSKGGSHPIVJPHZ-UHFFFAOYSA-N 451.501 0.635 30 20 JCED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1708149540 OFNQJPPTFOPYOT-INIZCTEOSA-N 489.627 0.862 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1710013588 PDOYNVJXTMCHMF-JTDSTZFVSA-N 457.576 0.783 30 20 JCED COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1712422911 JJOBVUFUPGRMLD-UHFFFAOYSA-N 496.616 0.376 30 20 JCED CC[C@H](C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1727079539 KHFKNVBPFFBEJL-ULQDDVLXSA-N 455.585 0.070 30 20 JCED COc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)ccc1C 1729985912 KMILMOTUPOTOQK-MJGOQNOKSA-N 476.559 0.705 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1731189871 NOQWCGVIXFXXQT-ZNMIVQPWSA-N 478.497 0.172 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1747603395 JJJTTYQARNNGQJ-IBGZPJMESA-N 487.586 0.536 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(n2)NC(=O)CC3)C1 1777815841 BGBCMFQPIBEBNI-CLEINKFVSA-N 481.553 0.952 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1)c1ccc(O)cc1 1778790431 QYUXHPNCJXFWAM-UTSGNWPNSA-N 473.526 0.784 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1779066471 ZOVXIAPDQJDVEW-RLSLOFABSA-N 457.571 0.916 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1779099638 JYVWXPCJFAGXSJ-ISKBXKCFSA-N 450.452 0.150 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779140169 UKYITWUAEKLGPX-VORNAUPZSA-N 478.546 0.804 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1)c1ccccc1 1779182791 DTYIBEHNJBANLO-UGKGYDQZSA-N 463.471 0.738 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1779442783 GYMZDVFQIVGVPG-MIUKFWFASA-N 482.541 0.856 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780126766 QYOHSNHKQGFEAF-AUSIDOKSSA-N 451.483 0.848 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3c(c2)CCNCC3)C1 1781522567 CLRYXYXAOAXINB-YBGOQADZSA-N 454.571 0.936 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781965571 LFAHOWKTSOUUFE-JTSKRJEESA-N 462.478 0.984 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccc3sccc3c1=O)C2 1782010795 FFVNYHZSCLOPFA-VGOFRKELSA-N 457.508 0.665 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nccnc4C(N)=O)C[C@@H]32)cc1 1783442890 AOZQLLNYVRZSGZ-FHWLQOOXSA-N 462.510 0.673 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1783584520 ZZQNQACUBJMECM-GBLYOYEHSA-N 462.547 0.879 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1784043460 UIXMHZARJLHKIG-LLJLJFOGSA-N 476.574 0.908 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](S)C(C)C)[C@H]2C1 1784541295 HSVOAXGOERBDBJ-IWFBPKFRSA-N 476.636 0.617 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785517091 PXYUDWXJYIHAOH-UAVUOLJFSA-N 497.589 0.846 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cnnn4)[C@H]3C2)cc1C#N 1787093455 PXYQLGDZYYGNPI-QRFRQXIXSA-N 453.503 0.625 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1788471950 LGLAFHUPGWZEJT-NUADTHGBSA-N 470.486 0.092 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(O)n4c3CCCC4)C[C@@H]21 1788600851 DSNRLEIRJKZUGZ-HNFFUWDWSA-N 458.563 0.990 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1792266543 KLSNDIVYJOTVFG-NQFGCGTESA-N 490.601 0.962 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)cc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c1cnc(O)[nH]1 1798184297 TYNBSVFTQLNPPO-CLDHMQMKSA-N 461.519 0.788 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2 1799232935 ATIUSTGICQLRDI-XMTFNYHQSA-N 474.562 0.715 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883105 MKJZZOPXFHYJIR-HGKCTWBKSA-N 452.515 0.800 30 20 JCED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1800493346 NAMBPNYLMXSXJE-XLMAVXFVSA-N 499.572 0.928 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2)C(F)(F)F 1800549115 IVHBOMIKAYMTIF-OHTBPHCPSA-N 456.421 0.701 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)ccc1I)C2 1800778775 QCHAKRFQBCCISH-YQYWCBKUSA-N 486.237 0.722 30 20 JCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1800823633 LUFMYYXUPKHSDL-LBFCPWMRSA-N 456.499 0.262 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1807146796 AFVYRYQWKSHSGE-LPHOPBHVSA-N 464.530 0.572 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1807738419 QDIIMULTSQSRAG-NPIIGJQGSA-N 498.565 0.411 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1819361342 VXQQLIGIHUWTPV-SJORKVTESA-N 467.592 0.705 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1819773884 BNUJMDRMPHHJSO-GHONEHJGSA-N 470.559 0.781 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1825544321 MMGWTKUDAGHFKD-IBGZPJMESA-N 461.540 0.948 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CCOCCOCCOC)sc2C1 1825769305 YVJJKAZCESPVOG-WLMCBFPDSA-N 480.587 0.983 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)cn1)CCN2C(=O)OCc1ccccc1 1828758707 SRNHGIXFUXSKIF-VWLOTQADSA-N 492.488 0.941 30 20 JCED CC(C)(O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828912923 OYDDEIOVXVMSQT-DEOSSOPVSA-N 471.510 0.688 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1829263281 RITCLVWJTKKTMH-XMMPIXPASA-N 489.492 0.117 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCN2C(=O)OCc1ccccc1 1829373320 UTMABSAJLHEGOD-SANMLTNESA-N 492.532 0.777 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904022 KNDZZTCLAZOROD-KOSHJBKYSA-N 456.543 0.862 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1830056123 MXBCYRZRIPJLCM-NRFANRHFSA-N 464.544 0.246 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cnc2c1 1831213378 NKALPZRGPRILIG-XMMPIXPASA-N 450.495 0.486 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1831770801 IGNWDNSGIAVSJW-OPAMFIHVSA-N 461.519 0.396 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1832456340 NEMDCFCEYHUIEC-BDNZGDGKSA-N 463.556 0.828 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833224015 QCJUEKHHWRBBFJ-SFHVURJKSA-N 468.595 0.728 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833401612 VCZNBIBRPJBHSU-IBGZPJMESA-N 473.498 0.767 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)CCO2 1833566847 XPKCQOMCMFJJCG-XMMPIXPASA-N 483.500 0.804 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4ccnn4)C3)C2)c(O)n1 1833700022 OCWBHECVBUOKOX-HXOBKFHXSA-N 470.530 0.829 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c1 1834674407 MHFGYQBHJJAJGH-NRFANRHFSA-N 470.574 0.345 30 20 JCED CO[C@H](C)[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)N(C)C(=O)OC(C)(C)C 1834765963 OGBPVDRRLOBXCJ-TVTNDZMWSA-N 468.551 0.627 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1835103093 VDWPLNFSLJTERY-XMMPIXPASA-N 463.469 0.990 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1835103157 WUYHGAVVQXLVCU-MHZLTWQESA-N 474.561 0.892 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835406126 UOSPBSIVEDJIAD-HSZRJFAPSA-N 459.930 0.770 30 20 JCED CN(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836322073 YYDUGNKCOYCSIZ-LJQANCHMSA-N 455.437 0.604 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(cnn4C)c3OCC)CCO2)C1 1836378387 WPARJDQYXZRNKZ-XDHUDOTRSA-N 485.541 0.475 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1836470184 JDBZVIAHDGPCBR-MBSDFSHPSA-N 461.515 0.496 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1)CCO2 1836621572 LDHWZKVVNGPPAW-JLHGSKIFSA-N 453.511 0.671 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCO4)CCO3)ccc1F 1836972278 UKCLXQBFMJNHKP-DEOSSOPVSA-N 483.500 0.989 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1837311581 HLOKLLIGRIPLJW-WIOPSUGQSA-N 498.617 0.907 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837314609 FHSDPQHXVULTJB-HXUWFJFHSA-N 454.401 0.600 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1837392594 FLANPJWJZCMOGY-JVFUWBCBSA-N 477.602 0.807 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1837400515 HKWYECLFUJPJKZ-HUJREVKFSA-N 491.560 0.974 30 20 JCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837434239 ZDFCCNORLUXWOH-RUZDIDTESA-N 485.585 0.754 30 20 JCED N[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1cccnc1 1837489518 KQZWDFQOMHUPAF-BWKNWUBXSA-N 470.570 0.627 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2)C1 1837502408 LDOGDPPBFFINIP-APWZRJJASA-N 462.446 0.149 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(=O)Nc2cccnc2)CCO3)c(C#N)c1 1837630315 PSDMRMUZNYVOKS-RUZDIDTESA-N 493.520 0.599 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCS(=O)(=O)c4ccccc4)C3)C2)c1 1838734570 CHONQRWMBRWQGC-QHCPKHFHSA-N 486.550 0.820 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1839225703 QYRCMGFDNQTBIZ-JTSKRJEESA-N 458.519 0.909 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(-n5cncn5)c4)CCO3)C2)c1 1839436956 WRAUOCXCBSCIDA-HSZRJFAPSA-N 461.482 0.851 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1)C(F)(F)F 1839892000 MPPWBEWNVPLMTA-RBZFPXEDSA-N 486.447 0.568 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN(Cc4ccccc4)C3)C2)C1 1840040947 HIXWKHLYHXPWSA-BWKNWUBXSA-N 469.538 0.443 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1Br 1840043627 KRQLHYUWVRUAKC-HXUWFJFHSA-N 481.299 0.616 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840071724 GPFXATSIGMEXRN-USCONSEESA-N 466.535 0.117 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(C)=O)C2)C1 1840156219 KPFZCMQBWYDOGT-JTSKRJEESA-N 484.550 0.268 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c1 1840381972 YOXSOTSRNAOULQ-NRFANRHFSA-N 456.528 0.847 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(OC)c1C)CCO2 1840642406 YFTYLUDWHVJSMZ-XXXZYALBSA-N 457.527 0.932 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1F 1840772904 UZGGNJYKXNUNKO-OAQYLSRUSA-N 465.503 0.603 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1841055419 CNNRLGVJOYNYHX-ZMJQMOPZSA-N 462.547 0.419 30 20 JCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)C3CCN(S(C)(=O)=O)CC3)C2)c(C#N)c1 1843838081 NOHVPWWIFAFMME-UHFFFAOYSA-N 474.583 0.984 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cccn1)C2 1846366081 PRFLKURHEIYJBL-KRWDZBQOSA-N 490.561 0.892 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1847071439 SVBFHWGSAIZOLW-INIZCTEOSA-N 487.513 0.877 30 20 JCED C[C@@](C#N)(NC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 11676117 KMYFQVYIDZCGCX-QFIPXVFZSA-N 476.555 0.651 30 20 JCED CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 110873389 RUEPPLGRBAHVNU-UHFFFAOYSA-N 482.522 0.636 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3)c(=O)n2CCCC(=O)OC)CC1 501770132 MWLJLDFOLRBJHP-UHFFFAOYSA-N 498.605 0.539 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1F 514474985 CYVYSNQQBVIPPI-UHFFFAOYSA-N 454.458 0.934 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2sccc2C)c1=O 523476817 ONXCADXMKXWHBM-UHFFFAOYSA-N 476.624 0.268 30 20 JCED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O 524282678 DZAXECARFYJUIB-UHFFFAOYSA-N 468.514 0.623 30 20 JCED Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 552170392 FHHYLJURNVKWAJ-UHFFFAOYSA-N 476.580 0.987 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccsc2)c1=O 603795354 LTXLZCVDYFQTGF-UHFFFAOYSA-N 476.624 0.349 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(=O)N(C)C 604270294 MIPNRJAISLWSJV-UHFFFAOYSA-N 482.484 0.924 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1cc(OC)ccc1OC 608826656 GQMBMMQGJHNQGD-UHFFFAOYSA-N 455.492 0.775 30 20 JCED N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O 608911990 YKUVHWKVMBUZEP-UHFFFAOYSA-N 480.477 0.447 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnc(C)s2)c1=O 725763679 RWEIGTPRLQDBJQ-UHFFFAOYSA-N 461.613 0.378 30 20 JCED N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 771193156 XQRGHRDJSLTAAG-DOTOQJQBSA-N 468.919 0.663 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 812613956 BWQGIXKOVWBDCC-LJQANCHMSA-N 470.507 0.887 30 20 JCED C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)c1 917923759 BZQVUZTXGQBJJJ-NRFANRHFSA-N 456.480 0.648 30 20 JCED CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1314633738 QMXRDWTVYYUSGG-UHFFFAOYSA-N 450.547 0.696 30 20 JCED NC(=O)c1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 1338636400 JYUFEOIEZAIAJB-LSDHHAIUSA-N 450.542 0.573 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1517106332 RCIVOXWSQLFKFY-LJQANCHMSA-N 470.559 0.901 30 20 JCED CS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1519529214 QYKLOMMWXAUEFX-UHFFFAOYSA-N 475.550 0.782 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1F 1541116363 NWZULRKSFRWLRO-GOEBONIOSA-N 467.527 0.820 30 20 JCED C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1613012562 LFNXDQYHGBLHRX-GOSISDBHSA-N 489.602 0.531 30 20 JCED CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1618297624 RGBYBJMUQOPPQV-QHCPKHFHSA-N 488.614 0.913 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1637455371 QEXDIPSVSYPSOB-UHFFFAOYSA-N 457.512 0.757 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1([S@](C)=O)CC1 1692796155 MGHFLLPKNDGBDM-ZZQXMTQJSA-N 492.631 0.393 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CCC1 1706748189 TUTBVONOXKUXJR-LSDHHAIUSA-N 474.609 0.317 30 20 JCED CNS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1748292433 LUFNVOFAOHVADW-ZDUSSCGKSA-N 485.364 0.994 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749087593 XDRFDEXXDSWFSM-GJZGRUSLSA-N 477.429 0.955 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1750218728 WWNYVULXOSNRLT-INIZCTEOSA-N 459.532 0.089 30 20 JCED N#Cc1ccnc(N2CCN(c3nnc(CN4CCCC4=O)n3CC(=O)NCC(F)F)CC2)c1 1750384671 JDZYCJCDQLGVHZ-UHFFFAOYSA-N 473.488 0.375 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(S(C)(=O)=O)cc1 1760697464 ZSARAWVBISVTRJ-YJBOKZPZSA-N 496.615 0.659 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1764887838 RSMSAZAXHSVYCM-RUZDIDTESA-N 480.617 0.874 30 20 JCED CN(CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)CC(F)(F)F 1767327690 NVGAFSLVPQBWMC-YOEHRIQHSA-N 497.519 0.937 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1770344712 VIAAYIRZYDWGLZ-MRXNPFEDSA-N 464.573 0.333 30 20 JCED COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1770934090 VGGCJOYODRYBII-LAUBAEHRSA-N 461.544 0.751 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778571366 ARYLVVXKPIFULU-QHCPKHFHSA-N 455.515 0.743 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1778921321 LPPUDJJDCVOUFP-YGKZAACZSA-N 497.593 0.217 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780248877 UXUBTVMMOXXSGI-OSPHWJPCSA-N 487.557 0.910 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1781294301 KAQJSZZUYDHWAS-CJFMBICVSA-N 493.649 0.923 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)Cn5cccc([N+](=O)[O-])c5=O)CCO4)C3)c2c1 1782198630 BPVIIGSBLWKUAG-HSZRJFAPSA-N 491.464 0.648 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)cc2C1 1782561294 OJWQLDDSMIBQIN-FVOVQBGFSA-N 474.562 0.691 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ccc(Br)cn13)CCO2 1783563868 DGGXNUGKIZQWOH-LJQANCHMSA-N 461.272 0.628 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)[C@H]2C1 1784324336 IYMRAKCOQCHICY-YRPNKDGESA-N 453.495 0.103 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784396304 FXJJGMKQJHKBOE-QVKFZJNVSA-N 478.575 0.643 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnc3)[C@H]2C1 1786164676 CBBKSWYTVVBZBQ-VJANTYMQSA-N 459.547 0.779 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859789 IBKSJZHOBZOECD-JPLJXNOCSA-N 470.574 0.461 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787509977 WYTIEMOUSVNYSV-GLPMAIMFSA-N 483.612 0.795 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1788659625 QUPXCPGKEJWPHV-VBYAKVLXSA-N 481.575 0.298 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C1)C2 1791079590 UEBSMTTZDHWBQL-VIUKOLAESA-N 475.542 0.842 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21)NC(=O)OC(C)(C)C 1792108996 NFIGENSEVBHTJC-VMXHOPILSA-N 478.590 0.962 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)C(C)(C)C 1792921497 PKWCQVICMHJMQP-ADHGMGHFSA-N 451.564 0.900 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794228653 TXUJZZYKWXGRBM-SFNKJDCFSA-N 474.562 0.715 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794506786 OXWNXLMMMXTXAS-YZIUBNRHSA-N 485.585 0.184 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1795582285 YQCQZVVWVQKJKW-XAPVIXHLSA-N 485.585 0.932 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797840003 OWGIZMPMMAPWAT-WSYJELTKSA-N 478.546 0.564 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cn4c(nc2=O)SCC4)C3)cc1 1798921147 LLVOFOSDMWZIGM-OPVJXMOQSA-N 465.535 0.667 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799073362 JLLCJLUKVVAPTN-DFGXFYAUSA-N 462.572 0.054 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1799232927 ACRFKZFXURETQD-IPLXSBJHSA-N 478.590 0.784 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(S(C)(=O)=O)ccc1F 1799857759 OSFVFNKAUYWTOM-CCWDJLKJSA-N 480.562 0.714 30 20 JCED C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1ccccc1C#N)NC(=O)OC(C)(C)C)C2 1800746740 DOCZWUMOBNCUSZ-CMWLGVBASA-N 486.569 0.964 30 20 JCED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1800822941 LFEMYBHCQUOZSX-SSTJLMRISA-N 484.553 0.898 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)C2 1800985168 YBDBVQBJBXVENT-AYDFFVQHSA-N 480.591 0.550 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2 1802017619 BSLRJQCFTBOQID-RMFSNUHRSA-N 467.563 0.547 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1802022729 JYAWBXRSAJCWJB-HATOLVCRSA-N 475.567 0.324 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1808449067 CBXPUZATFYSHAV-UZLBHIALSA-N 455.519 0.930 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808469242 LBWUZISLGIPRSP-UZUQRXQVSA-N 459.462 0.968 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NC(=O)NCC)[C@H]1c1cccnc1 1810231768 DHYPCCAPQVSCLC-ZCLLRTIWSA-N 456.547 0.653 30 20 JCED CN[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1)C(=O)O 1819452179 FYQOPOBMGBBKDX-YOTAAVABSA-N 450.496 0.994 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1819845499 DLTPCZOEYRDYHD-FOIQADDNSA-N 462.572 0.404 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](COC(C)=O)OC(C)=O)sc2C1 1819852437 YJJNDRVSZXLJCA-HJYQMELSSA-N 478.527 0.408 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820022593 UJKQAFPAAWQJBK-AFNCTOJWSA-N 452.475 0.463 30 20 JCED O=C(CNCP(=O)(O)O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828971742 FHLCOMDNWZEGAW-QSPNRLKTSA-N 474.495 0.860 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1829764918 ZBWVBMONSSRENJ-XBKFQHLESA-N 457.531 0.076 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOc3ccccc3)C2)C1 1829765275 RCFKCGDLYDQYMJ-XXXZYALBSA-N 457.527 0.770 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)cc(OC)c3)C2)C1 1829769193 NHKNWTSLERQZLG-XLQQFJOYSA-N 473.526 0.632 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1829777335 WDINWANXWIZLHI-KWQGRVAKSA-N 484.553 0.040 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CC)NC(C)=O)CCO2)C1 1829864628 DPVABEXQBHCGRC-KHCICDEESA-N 496.605 0.827 30 20 JCED O=C1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CN1 1829944276 BNNIXSKOLQQWBK-WZONZLPQSA-N 459.930 0.674 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)C4CC4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1830607937 ACKKNPRNORCLDF-MHECFPHRSA-N 477.558 0.988 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830661262 FUVUONXOCPJWLS-YADARESESA-N 456.543 0.906 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccoc3C1)CCO2 1830923822 GWGQWXDBXAJUPG-OJFPZYBJSA-N 457.527 0.699 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3-c3ccccc3)C2)C1 1831393616 YWLQUFSPWAVIFI-NTKDMRAZSA-N 452.511 0.981 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1831418115 AKMKYWGLEWXCPT-IIBYNOLFSA-N 451.545 0.525 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1831485053 MNKGWURRRKMRHV-JKXTWKSPSA-N 480.587 0.404 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3c(=O)oc4ccccc43)CCO2)C1 1832761294 XNQUEAIJKXZELC-VWLOTQADSA-N 499.568 0.723 30 20 JCED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cccc1=O 1833870017 ZOOGZQSDKATPAY-XMMPIXPASA-N 450.495 0.570 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1835645151 VCJSIFLJISDJCF-FQEVSTJZSA-N 468.551 0.132 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835729452 FZQSLWWHQDMKMA-OZHVRZOASA-N 469.652 0.710 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1835767251 KYRCQXBXGHPNOS-ODDBZWQPSA-N 488.545 0.889 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)c1 1836130128 IPPZFPCNLNNNIF-QHCPKHFHSA-N 470.457 0.790 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1837394988 NFNPZERLYNZQSM-AVRDEDQJSA-N 481.571 0.128 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1837400514 HKWYECLFUJPJKZ-AUBMYDRESA-N 491.560 0.974 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837446655 MAUNUMNCSNSILU-KURUZVKSSA-N 450.536 0.258 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489602 NUDNCFMERMZIMQ-XMMPIXPASA-N 460.575 0.423 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2)C1 1837496181 GTTYDLSNFWXCEM-CVDCTZTESA-N 468.547 0.930 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cs1 1837524582 JVLOPBSEZMBDAM-MYVUVFRBSA-N 466.560 0.979 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529701 BXFSUZYQNNWLJU-BOPCVMIFSA-N 498.577 0.885 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837699642 CQFRHONUYPXEBC-NYHFZMIOSA-N 460.918 0.972 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1838356858 CPRJNJMNDXBOEQ-CRAIPNDOSA-N 456.540 0.850 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c(C#N)c1 1839131578 LRSFYLMQGMCFCH-XMMPIXPASA-N 466.494 0.513 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)nn1C 1839187542 INOPYMHDWHESOP-QHCPKHFHSA-N 471.489 0.752 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204356 OHEVAYBSJONXCM-BXTJHSDWSA-N 461.581 0.037 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1839226461 PMXZLKNMXNYZCC-FZONSQQESA-N 464.563 0.645 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c([N+](=O)[O-])c1 1839232988 OSYFSBPJTPPLRP-QFIPXVFZSA-N 458.471 0.906 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)cc1C#N 1839238881 FEYZUNZESMHKSL-HSZRJFAPSA-N 468.514 0.707 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)c1 1839452365 YREBPVWIWUOGDS-DEOSSOPVSA-N 450.495 0.799 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839570238 CBMNWWDKVJAKMT-HBAGGBEISA-N 454.531 0.876 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839624785 PDIRUXXNRWGZOX-USAIXGAZSA-N 490.492 0.467 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3C(=O)N(Cc3cccs3)CC4)C2)C1 1839810429 WZXGPIWMEXNGMP-HSZRJFAPSA-N 483.550 0.304 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839865503 FIDADRFVTIUDDW-GAJHUEQPSA-N 480.562 0.274 30 20 JCED CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045156 UGAKXNAVNBWEJT-BTCOZLQPSA-N 481.546 0.470 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1840165717 HUJRNAHFERNQRS-YHEJKZAPSA-N 497.618 0.620 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCN(C)CC4)C3)C2)cc1C#N 1840763857 UOYHSEDBTGKWDG-SANMLTNESA-N 499.612 0.663 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1840909578 WRIUKWIYLCKTFF-VGSWGCGISA-N 461.519 0.396 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOC)C2)C1 1840912122 ANQLEJAIYSVSCS-NLSFWIRASA-N 467.563 0.949 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1844235826 AESWECRSQDCWKG-IAGOWNOFSA-N 494.637 0.919 30 20 JCED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)ccc1Br 1845458198 DUJGPKQXCFDPSI-UHFFFAOYSA-N 471.248 0.863 30 20 JCED Cn1nc2c(c1C(=O)N1CCCC13CN(C(=O)C#CC(=O)O)C3)CN(C(=O)OC(C)(C)C)C2 1845724828 NNDBLUVVLAOIFM-UHFFFAOYSA-N 457.487 0.576 30 20 JCED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2)NC(=O)OC(C)(C)C 1846934091 JQXCUGRKWBMCBC-HNNXBMFYSA-N 463.535 0.601 30 20 JCED CCCN(C(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 31805718 CZNXJRWZCJNLFS-UHFFFAOYSA-N 492.492 0.430 30 20 JCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 498381775 ILROMZAINOCIEM-UHFFFAOYSA-N 469.567 0.883 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(Br)c1 502058653 QUFOPPLNDYVZLS-UHFFFAOYSA-N 488.367 0.661 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(-c2ccc(F)cc2)c1=O 502059343 WXAMKBPNYDGBKT-QGZVFWFLSA-N 453.499 0.570 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 518047783 WICCLWBISCSDSB-SFHVURJKSA-N 457.508 0.914 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(S[C@H](C)C(=O)NC(=O)NCC=C)n1C 603565501 XIPPRWXARJRYMW-GHMZBOCLSA-N 455.566 0.800 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 608828183 JCEAYMOSZZKSMV-KDOFPFPSSA-N 492.557 0.980 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828334 OXCQLVMYPWNNAK-UHFFFAOYSA-N 462.531 0.572 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(Cl)c1 608884480 TXMVDAIIGFULLP-UHFFFAOYSA-N 487.969 0.950 30 20 JCED N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577325 NULKHIDXHQJNPG-UHFFFAOYSA-N 488.554 0.818 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CCN1CCCS1(=O)=O 744982955 XAMNZIDEZWUYOW-UHFFFAOYSA-N 462.484 0.335 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)NC[C@@H](C)O)cc3)CC2)o1 915476240 QBMVVACSTXRUIL-CQSZACIVSA-N 491.526 0.019 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3F)CC2)sc(=Cc2ccccn2)c1=O 916664595 KTPMMAXPZKZBQD-UHFFFAOYSA-N 493.564 0.942 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN(C)S(=O)(=O)c2cccnc2)cc1OC 916923182 JLMVNPIEIIRVRF-QGZVFWFLSA-N 460.512 0.787 30 20 JCED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 917506918 KDOVRZBEWXOZPI-RRFJBIMHSA-N 463.512 0.735 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3c2OCCCO3)c1=O 917769179 VFABHXGAENRXPO-UHFFFAOYSA-N 455.536 0.843 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNc2ncccc2C#N)c1 918268554 FDTULMPGWIGPOM-IMRQLAEWSA-N 469.527 0.933 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(C(N)=O)CCOCC2)c1 918436549 JHMRUCKWASQOSU-ITYLOYPMSA-N 493.586 0.616 30 20 JCED CCCS(=O)(=O)NC1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1141571988 ROZUNBDTMIWPNG-CQSZACIVSA-N 456.590 0.824 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCCc1ccccc1 1303823164 KRKLFVNQQBNAHM-INIZCTEOSA-N 459.576 0.987 30 20 JCED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1309038431 JHTPPXBVQUWJLC-UHFFFAOYSA-N 458.562 0.302 30 20 JCED C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C1CC1 1360728608 OTCVVLJSDWPGHY-PXNSSMCTSA-N 452.581 0.902 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ccn(C)n1 1510215024 QRIZCCVLJALHIR-QGZVFWFLSA-N 483.602 0.864 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1548327549 JIJMIMRRCTYKBH-VQIMIIECSA-N 472.637 0.982 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(=O)C1 1634584808 UULYAIASYKBVCY-SFHVURJKSA-N 455.515 0.855 30 20 JCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1662730247 IVBCZBMZCWFFJP-SJLPKXTDSA-N 451.597 0.568 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1697700969 RCDWBBKRSWLNOR-VVLHAWIVSA-N 456.569 0.401 30 20 JCED CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1711221191 VUSSIXXPRLMXPM-IBGZPJMESA-N 473.603 0.867 30 20 JCED Cc1nccn1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1751811694 XBJINOIEXVIFLT-SFHVURJKSA-N 462.580 0.946 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)CC1 1778002637 AREPQKAICPULGZ-HOOSLVGPSA-N 492.621 0.327 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1778370781 JFPGGXNHGXJWSE-QKKBWIMNSA-N 480.591 0.791 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Br)cc4cn[nH]c34)C2)C1 1778714185 VWRIBCQRTSJPFR-LJQANCHMSA-N 461.272 0.857 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C3)C2)c(O)n1 1779072611 GJSCDPWBPDEWES-YKSBVNFPSA-N 489.525 0.844 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780236897 YDXXWXLPXQBVEU-LXHZQTKUSA-N 472.454 0.625 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782199221 KLDORESLFCQCCM-OAQYLSRUSA-N 455.544 0.362 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1782786655 CRYOTNODGPGCEE-JOCHJYFZSA-N 469.429 0.911 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C[C@@H]21 1783530904 SNEVMMAZDMBXKA-IZYOTDRFSA-N 467.526 0.507 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C[C@@H](F)C1 1783564314 IYLVKNLXEWIZAY-WJONJSRFSA-N 467.494 0.499 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565384 LIQGHGKKIVBWAP-DVECYGJZSA-N 469.494 0.775 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1783603585 NRNZIFQJBOTYQE-NBZNJJEASA-N 469.567 0.883 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783836318 VEQQPFUUJIREAI-KSFYIVLOSA-N 498.602 0.448 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]cc3I)CCO2)C1 1783894884 ZXYYQXYUXUVQFT-XPTSAGLGSA-N 450.302 0.776 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1783992056 NLYDSDYCVRVLAB-XSLAGTTESA-N 481.594 0.134 30 20 JCED COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1784260430 SVOSISCJKVDSDZ-GOSISDBHSA-N 455.393 0.772 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21 1784786219 RZWSPGVPBDFTIA-ATIWLJMLSA-N 482.578 0.498 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1785571578 CZSTZFVSPVHASG-QMHKHESXSA-N 473.530 0.845 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1785577171 KVIDDDROKXTWMH-MBSDFSHPSA-N 458.515 0.680 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1785595989 IEIFOBFQEMCZLK-UKDVSSAZSA-N 491.633 0.533 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1785596647 PMUMUBIENDWYTC-ZBWOKKAISA-N 462.547 0.422 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)CC1 1788111455 MWMBEPGSNZIZGP-HAVNIZMJSA-N 480.587 0.350 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/C(=O)NCc4ccco4)[C@H]3C2)c1 1788718907 MAOBPUZWKFGKEW-JRHQIYRYSA-N 451.483 0.945 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4C(=O)C=CC4=O)C[C@@H]32)c1 1790225474 OSFPPPHTEOLAOR-IEZWGBDMSA-N 454.458 0.606 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccn3)C[C@@H]21 1792258135 STFFKVXWXYGYFD-VJANTYMQSA-N 459.547 0.779 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1792884800 ZMMIIXMDWASKFS-IIZPIQPGSA-N 486.569 0.966 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1793360204 HVQLUDTVSKDNTR-YGBCKFAYSA-N 467.563 0.539 30 20 JCED C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1793432972 UENFDLPOWZVQBM-BMFAXAFESA-N 491.589 0.628 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793435638 DEHBDDYOXSQLMA-AYYYJTJGSA-N 464.563 0.557 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H]1COc2ccccc2O1 1793840732 WCARZGXPXJNTTR-IKBLBSFRSA-N 459.499 0.945 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1sc2nccnc2c1N 1795704319 RYIAJHPOEPBWCY-AGGWBTHJSA-N 457.560 0.759 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1796393471 SETVQATWFQEXHQ-YYIAUSFCSA-N 450.536 0.810 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)CCOC1 1797744364 GCNJCBQHUUYFGL-DSZPWCOXSA-N 493.605 0.732 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1797808574 JXTTZVVIEDPNOO-KYMBBGCHSA-N 461.519 0.253 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1)c1ccc(O)cc1 1797808791 QQONKUHBTFHQCX-GIUFBPCTSA-N 471.554 0.129 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2ccc(OC)nc12 1798479973 LABCZDIAYZCKHW-WTDAKGQQSA-N 453.499 0.633 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798590225 OPTAOKPANZWHNU-WQDJSCAQSA-N 477.901 0.910 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)C1 1799200108 RHOLDIOPPAWHSH-GAFAPUJVSA-N 493.605 0.276 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(n3ccnc3)CCCN(C(=O)OC(C)(C)C)C1)C2 1800455825 SCWNBTCYZORCHL-DSPLJNTKSA-N 471.558 0.832 30 20 JCED CN1N=C(C(=O)NC[C@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)CCC1=O 1804120730 XOLGKBXCPABGRX-YLJYHZDGSA-N 453.547 0.977 30 20 JCED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804194624 OMLDPKGFHAGUAR-GHTZIAJQSA-N 466.629 0.737 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)C2 1804372396 QEPDYQSVFOERBO-RDGPPVDQSA-N 496.630 0.967 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1809664447 JHMYYEKMNMNPTR-JMUQELJHSA-N 457.575 0.843 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1811500112 DAMCUJFLLCNWIJ-OXYUUBKBSA-N 487.557 0.789 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)cc1 1811887674 PKYLXNRTPQEGRL-AZUAARDMSA-N 457.427 0.998 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812872819 IAKNUZCTLYPKEN-GJYPPUQNSA-N 460.487 0.061 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)[C@H]1c1cccnc1 1812875583 YODDZMSUANCJPK-AFBRZQFHSA-N 465.466 0.182 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@@H]1c1cccnc1 1813095711 JZSAGMZDZQYXGG-OHLRXGENSA-N 467.448 0.624 30 20 JCED N#Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CN)sc3C2)c(C(F)(F)F)n1 1817065201 JVVCTRPUOIMKDW-KWQFWETISA-N 453.450 0.940 30 20 JCED O=C(Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1cc(=O)n2[nH]nnc2n1 1817815523 IIVNPHAHMIFXKT-SBUZPKSBSA-N 464.446 0.554 30 20 JCED CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1)C(=O)C(=O)O 1821716123 XZKKFTYUECZZBJ-ZPDKBZPCSA-N 464.479 0.474 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665696 WCJQIKHOCGDYFQ-PWSUYJOCSA-N 452.489 0.029 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)COC)C2)C1 1828494605 QMZKAOLPGUTNQJ-HAAQQRBASA-N 484.553 0.943 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCOC3=O)C2)C1 1828802936 BYJMQECNUUDIGH-QHCPKHFHSA-N 469.498 0.804 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)CC1 1828921129 OZAJAJZFDCLFIK-DFBJGRDBSA-N 496.568 0.335 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829133239 IZINKRUFNMKQDQ-ZJSXRUAMSA-N 485.541 0.003 30 20 JCED CC[C@H](C)[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330692 OGDOYVVTGGAKJN-QRJOEMBSSA-N 485.537 0.934 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829532628 WMLFBKYKSNCPJM-OAQYLSRUSA-N 453.442 0.939 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)c1=O 1829627344 CMXWVEUGAFSBJC-VWLOTQADSA-N 464.522 0.960 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)cc1 1829632702 YTVQBJSDRMZMIH-RUZDIDTESA-N 464.522 0.809 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465529 KCUJNWVRJNRCIO-NRFANRHFSA-N 468.959 0.583 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830677552 GIJSTZYUOQGSNT-ZYAFMCSYSA-N 485.581 0.889 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnccn4)CCO3)C2)c(C#N)c1 1830967119 PKEGPTJKKMBGMJ-XMMPIXPASA-N 465.510 0.598 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)CCO2)C1 1831141228 FDHUVRKPKNFDRV-QVKFZJNVSA-N 455.577 0.938 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831189123 VIHABYMYIJCKIN-MWTRTKDXSA-N 460.506 0.611 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3OCC3CC3)C2)C1 1831391520 PQFRBUNVZKUKGQ-UUOWRZLLSA-N 457.527 0.979 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1831495896 PAHMUXNCPLAAQS-XLIONFOSSA-N 468.532 0.167 30 20 JCED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4Cl)C3)C2)CCC1=O 1832374728 CWQRDGXCVAPPEF-JOCHJYFZSA-N 473.917 0.890 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCO3)c1 1833389995 GYXNVPZYAHPCMF-XMMPIXPASA-N 465.510 0.951 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833620736 HNRBYEBJRNBZBG-HYBUGGRVSA-N 469.542 0.910 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834564004 ULMBQRILJLUMON-HSZRJFAPSA-N 459.547 0.689 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(=O)cco5)CCO4)C3)c2c1 1834609164 JIZRQAWFPFSBNV-HSZRJFAPSA-N 463.450 0.772 30 20 JCED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675523 UJASZEQFUFBXRO-GJZUVCINSA-N 483.613 0.781 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncncc4c3)C2)C1 1835677158 JJUMULSBJXYQNG-DEOSSOPVSA-N 466.542 0.982 30 20 JCED COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1F 1836238050 RPRKOSSSJVJWOE-WGBQGACBSA-N 463.510 0.771 30 20 JCED N#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1836516082 LKAGKKOXQGXYJE-RBUKOAKNSA-N 490.630 0.042 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(NC(=O)OCc3ccccc3)CC1)CCO2 1836689343 UQRXFIZBOXSUEA-CPJSRVTESA-N 499.564 0.940 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3ccc(Br)cc3n1)CCO2 1836773288 XBGJJMDUFQTOLI-HXUWFJFHSA-N 491.298 0.255 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4ON=C(c5ccccc5)O4)CCO3)C2)CCC1 1837299653 FFWTWJIUJQONED-OFNKIYASSA-N 454.483 0.871 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1837439662 ZVXJLJQCPGOLBO-BLTFUYFMSA-N 450.927 0.672 30 20 JCED COc1cc(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)ccn1 1837440868 CLAZATBHLBLVTG-NHVVDLMHSA-N 473.574 0.951 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nc2ccccc21 1837443710 OVKBVGILAZLMGQ-OTUOEDBFSA-N 496.568 0.475 30 20 JCED CCc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1F 1837488658 NKOOATRUOSYZAJ-HSZRJFAPSA-N 462.522 0.880 30 20 JCED N[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1cccnc1 1837489519 KQZWDFQOMHUPAF-OFVILXPXSA-N 470.570 0.627 30 20 JCED C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493449 GCENJQAWRPJJBH-GBXCKJPGSA-N 458.559 0.674 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cc1 1837527247 ZNGQNMIDAOULLO-QNRVUJQYSA-N 491.541 0.714 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837527653 RTIQAZZVDGAAFN-WWCXEQRYSA-N 479.559 0.554 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531047 WIQABHCIFFNZAK-FKTOORKZSA-N 463.535 0.554 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837770939 XIPHNFIOVIHVII-BTJNRMLXSA-N 498.483 0.842 30 20 JCED Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)c(=O)nc1O 1838393656 WJFDRPMSPAARIQ-MFKUBSTISA-N 488.589 0.728 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1838582584 ULVIERWTVGSHRY-NRFANRHFSA-N 470.442 0.582 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c1 1838583415 AZXWCYUGBLFHHI-QFIPXVFZSA-N 454.487 0.319 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906613 UQQBUXWJPWJYDV-DEOSSOPVSA-N 498.561 0.882 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)c1ccc(F)cc1 1839038345 DLWLLKPAGYRMSV-XUZZJYLKSA-N 483.500 0.973 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839214067 PSDKQAJUOCYKJW-HRAATJIYSA-N 495.458 0.663 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839372851 POPYMAAMNILJSO-CSOJOJLQSA-N 459.455 0.586 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(F)c(F)ccc3c1)CCO2 1839594292 DTBZNXBNJWZQQT-QFIPXVFZSA-N 459.405 0.671 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839727063 AGUPAQCSOSWACU-RSEQLOHWSA-N 455.555 0.492 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840164956 UFLQYCVTEAASLX-RZOYPLJHSA-N 499.630 0.643 30 20 JCED Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)c(=O)nc1O 1840805924 JCTNRYTXKPUJFC-RUZDIDTESA-N 495.536 0.218 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840853054 CGRGKDFNZDFPIZ-RAJMRQGUSA-N 451.568 0.219 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1840906473 CMUIROQZUYBJPA-HXOBKFHXSA-N 475.546 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cocn3)C2)C1 1840906925 LTXSYMHBYVZBNB-KSFYIVLOSA-N 462.503 0.661 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1840907436 VDAVFJWUSBKATG-YCRPNKLZSA-N 479.559 0.525 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840908582 OHJIEIMBGAHCLU-ZHRRBRCNSA-N 499.586 0.177 30 20 JCED CC(C)(C)OC(=O)N1CCc2ncc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)n2CC1 1846195766 BGQDFIWJZZZCLC-UHFFFAOYSA-N 471.514 0.581 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1847074588 YVNIRDZROUZZNH-CQSZACIVSA-N 480.612 0.967 30 20 JCED CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 29193365 VPABXSCJHKVRDC-QGZVFWFLSA-N 454.574 0.499 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC1 68793256 MPWKEZPJWBKJHI-UHFFFAOYSA-N 487.538 0.515 30 20 JCED N#CCCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 104526053 DTBDCDHHGYBSGF-UHFFFAOYSA-N 450.473 0.325 30 20 JCED CN(CC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 116280809 MXMYGTJJFWLKFV-UHFFFAOYSA-N 470.555 0.429 30 20 JCED C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 512101161 XBGBCWGTXJLGQS-GOSISDBHSA-N 469.585 0.355 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(C)c2)c1=O 514914978 WLKXQKBMOBYTGU-UHFFFAOYSA-N 486.663 0.923 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)CC1 516827743 RMTRQEZNUKSTSY-UHFFFAOYSA-N 483.550 0.447 30 20 JCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 518593181 BYPKJNCKDNTOTM-UHFFFAOYSA-N 486.554 0.559 30 20 JCED COCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 519051635 NGDRMAKJCFGSJG-AZUAARDMSA-N 491.614 0.254 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(F)c2F)c1=O 520756735 VGUIFRXQEPZTHN-UHFFFAOYSA-N 492.548 0.176 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Br)CC1 728589969 OUCCFBWWYWZJSC-UHFFFAOYSA-N 458.334 0.291 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCN(c2cnccn2)CC1 857749860 DSNCCMTWYLFUGD-VWLOTQADSA-N 490.520 0.834 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCOCC(F)(F)F)CC1 914594043 ZXPWQTCSBZTEEB-UHFFFAOYSA-N 463.434 0.903 30 20 JCED CC(C)(C)OC(=O)NC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)COC1 1302242450 UGVSFYJLGUBWOL-KUHUBIRLSA-N 484.554 0.916 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC(=O)N1CCOCC1 1510201636 VUZGDHCTDPANIV-KXBFYZLASA-N 453.569 0.267 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1510293569 SHZVOKSZEINGLR-GPMSIDNRSA-N 470.621 0.592 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1548322380 LBIVCBMLQLXLME-SFHVURJKSA-N 460.560 0.684 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1596783324 PAKVTCXSPZFAEU-JKSUJKDBSA-N 462.580 0.764 30 20 JCED CN1CCN(C(=O)c2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc2)CC1 1638163454 ULDUOZKOAOPURK-UHFFFAOYSA-N 455.540 0.541 30 20 JCED C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 1648479257 MZTBKSMLXJKOSZ-AWEZNQCLSA-N 450.542 0.964 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1705689093 YDAHMTMPSOLZMR-CHWSQXEVSA-N 450.359 0.745 30 20 JCED CNS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1729739478 YSEOGKOLMHGYCU-LJQANCHMSA-N 468.511 0.962 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccc(F)c2F)C1 1731015642 STMZMAAFRIHLNW-NVXWUHKLSA-N 482.513 0.861 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCCCCC1=O 1741940540 KURJRGYXJUVHFR-PKOBYXMFSA-N 492.650 0.858 30 20 JCED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749084077 NUOICBGTJGLKLH-UHFFFAOYSA-N 454.373 0.726 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1761363061 KKAJMGCCBJDJRZ-STQMWFEESA-N 458.495 0.989 30 20 JCED CCOC1CC(O)(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@H](C#N)C2)C1 1766153455 UMRBCHDEWXDFFY-WUZYXKQASA-N 490.586 0.854 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1779072280 IFPDNDJJOWLMQE-REWPJTCUSA-N 457.483 0.805 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779420385 RIKDUXFZPDRKCC-JFKCJUGQSA-N 488.607 0.357 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)c(C#N)c1 1779528885 LOERFRXORYZLGG-QHCPKHFHSA-N 465.466 0.741 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nn(C)c(C)c3Br)C2)C1 1780364585 WFTAQSGBZSHYAN-KUHUBIRLSA-N 453.337 0.973 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781040006 BWZNJTQFLJFNGP-DVSDUFGPSA-N 452.552 0.009 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)C1CC1 1782009984 BLCSAOZKIOZATM-BVZALQNUSA-N 463.531 0.892 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cc6n(n5)CCNC6=O)CCO4)C3)c2c1 1782194854 OQBRSHREQSPLDS-HSZRJFAPSA-N 474.481 0.132 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1783157848 VOHZZLKPZAUHBG-AOMKIAJQSA-N 452.552 0.941 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)OCc2ccccc2)C1 1783172467 RJKCKRGYVHNWJR-UPUUWEMXSA-N 469.538 0.906 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)n1cnnn1)C2 1783268700 FJDGAPLDYGXWOX-YTSMVRMISA-N 489.577 0.665 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4CCN(C)CC4)cc3)[C@H]2C1 1783488802 PMUMKRTYHHUQOH-WIUBPFIVSA-N 495.624 0.890 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567228 JVAMCGSEVOZOMM-KOSHJBKYSA-N 499.524 0.056 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784606173 BTFUJSJPYRYUBV-ZPGKAZOCSA-N 475.550 0.533 30 20 JCED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785031114 MPQJFBZIAMZEGJ-FHWLQOOXSA-N 455.621 0.689 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)CCO2 1785422249 DIBVPJKRXNABJJ-UZUQRXQVSA-N 478.594 0.386 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CSCC(=O)O)C[C@@H]32)c(C#N)c1 1789843585 ZYQCYBBVBQZPNG-SNRMKQJTSA-N 461.540 0.907 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3c4[nH]cnc4CCN3C(=O)OC(C)(C)C)C[C@@H]21 1790793390 CEMGTZGRJSCATF-PYWIUJKZSA-N 457.531 0.857 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792245456 SRXWFEMUMGDSQD-BQFCYCMXSA-N 488.591 0.777 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1)C(C)(C)S 1796297997 NRWHDVIGUSGDGK-HLPPOEQASA-N 467.596 0.913 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOC2=O)c(C#N)c1 1797170555 YVMICIVRTNSMHY-OPMZPASUSA-N 456.499 0.541 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1799200391 VETVYJWOSJRNIR-NZKYLMMGSA-N 473.530 0.317 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 1800712022 PDKVPFFVHXGIJO-CVCXRRAZSA-N 461.559 0.871 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1)NC(=O)OC(C)(C)C 1801440626 BZYIAMQJWFLWBY-NRUGXNMXSA-N 477.566 0.683 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2)NC(=O)OC(C)(C)C 1801930878 WUIUEUQQCMKQLM-QOIOWGMHSA-N 475.546 0.833 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1802125579 ITRYQXXFYKFVQW-RJBGGQOTSA-N 475.590 0.964 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc(C)c(O)nc1=O)C2 1804379580 UMFVWKZPMGWYIR-XMTFNYHQSA-N 487.557 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCN2CCOCC2)[C@@H]1c1cccnc1 1806951449 VBATUTDRLACANV-OBVXKVMASA-N 455.559 0.668 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1810390709 UMWZMMRCPCMBHP-ZCIYQQGVSA-N 474.481 0.844 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1819467713 BEFUVIYHTDQFKC-PBOCHOLISA-N 452.537 0.591 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC#N)CC2 1828308313 QLHHBLIPLNOEMR-JQWIXIFHSA-N 450.521 0.737 30 20 JCED Cn1nncc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1828641491 FZEZEFZLOKYEJS-QFIPXVFZSA-N 451.487 0.794 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3occc3Br)C2)C1 1829766027 GTVOVCAHISRREH-HZQHCPKGSA-N 482.331 0.971 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1829770443 QGQMNZOJVIAPRI-PWPXAWQVSA-N 457.531 0.197 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc(OC)c3OC)C2)C1 1829771217 MJASEQLFRGMKSJ-WEHRJKGCSA-N 491.516 0.771 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(Cl)c1OC 1830168480 QGBOKAMEBXZQEG-NRFANRHFSA-N 466.874 0.515 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1831397438 YEJPETRGUHGNFW-LIRRHRJNSA-N 458.437 0.547 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1831409030 HPXMKYCADBYAFR-RUZDIDTESA-N 486.569 0.930 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)CCO2 1832005093 CJVKBCGDSNGBFX-KEXUJGGDSA-N 450.532 0.461 30 20 JCED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1832285421 FFGAQMBFABEDAG-XMMPIXPASA-N 456.543 0.816 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1832478467 RLMYAIJUTDBZGE-JOCHJYFZSA-N 478.622 0.046 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ccncc3)CCO2)C1 1832706113 PZHHAYPYEYEYRJ-QFIPXVFZSA-N 461.588 0.912 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(F)nc1)CCO2 1832831613 YTMKKTSGYKLPGI-RNPAOAGASA-N 460.506 0.468 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)C[C@H]5NC(=O)NC5=O)CC4)CC3)c2c1 1833764040 HAGWVSJGBWFNIV-LJQANCHMSA-N 492.540 0.218 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)cn3)CCO2)C1 1834087744 VPBLNZWNDVCDJV-UUOWRZLLSA-N 487.557 0.772 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)[C@H]2C1 1835362316 LFSRECSIVPXGAI-LFALDJFMSA-N 492.573 0.628 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1835364910 KWZRWGIVGGNCNN-QHCPKHFHSA-N 452.467 0.490 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1835677952 RIRKTLZGSACVCW-DEOSSOPVSA-N 469.542 0.282 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](N)c3ccccn3)CCO4)c2c1 1835705782 LATBEMURVDHMJG-HYBUGGRVSA-N 475.509 0.600 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837138958 OJBPMTNENPMVQJ-DEOSSOPVSA-N 485.493 0.401 30 20 JCED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c(=O)[nH]c1C 1837488744 OMBVRPDFRKCSMK-XMMPIXPASA-N 472.542 0.155 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1)c1ccccc1 1837612983 QSYCFFYUKIAGNX-BKSPAHHJSA-N 471.554 0.703 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n1 1837660022 DOCWIYJWXKZUAI-QHCPKHFHSA-N 457.531 0.437 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)cc2NC1=O 1838588205 OYBMIRKBCSDUSL-IKAAHMRCSA-N 499.568 0.948 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)CC1 1838951184 CNMMKAJKELRHIP-HSZRJFAPSA-N 490.582 0.300 30 20 JCED CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839055332 FKSXHVULKSDOMY-NRFANRHFSA-N 497.957 0.454 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)c1 1839104450 SGGRJTQYOMOXJV-CLOONOSVSA-N 485.585 0.273 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1839109741 SZEAAFGFTFHDGE-IXFSTUDKSA-N 465.547 0.084 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839380323 DBBVDTUKCREBFD-HYBUGGRVSA-N 469.542 0.910 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1N1CCCCC1)CCO2 1839443154 YVTMKROYTYJMDY-DEOSSOPVSA-N 455.511 0.835 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(CO)o5)C4)C3)c2c1 1839488287 JHVPGMYKZZJBRC-QHCPKHFHSA-N 465.466 0.904 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5c(O)cc(O)cc5O)C4)C3)c2c1 1839489416 ZTXQIVXPTQSOSC-XMMPIXPASA-N 493.476 0.935 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCn5cncn5)C4)C3)c2c1 1839489484 YNAGCAOGTTZLML-QFIPXVFZSA-N 464.486 0.186 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839636315 KRVRGLMAOTXCIY-WATLYSKOSA-N 470.570 0.782 30 20 JCED CN(C)[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(Cl)cc1 1839732057 OZTCGPFZLMQIHF-IFMALSPDSA-N 463.918 0.487 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(n4ccnc4)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839810295 PCXUKKRXGSFURN-RPWUZVMVSA-N 487.557 0.309 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839894121 JOQCDPLRMCZOLC-MGPUTAFESA-N 495.495 0.837 30 20 JCED C[C@H]1[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCN1C(=O)OC(C)(C)C 1840045030 MWVPLIMZAUVTDT-QQMNAOGKSA-N 479.530 0.176 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840060157 FZXKJFLCRXRSRB-DGGJZMOXSA-N 480.562 0.363 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840380528 FWVMIHQVCATLFQ-NRFANRHFSA-N 463.560 0.052 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840435639 IDVDLWVTUWWTJZ-QHCPKHFHSA-N 460.579 0.318 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)O)C2)C1)NC(=O)OC(C)(C)C 1840795564 PBYQJNNEQOWVBN-JLHGSKIFSA-N 455.552 0.683 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1840796763 OYFLLDQVQIXENJ-HXOBKFHXSA-N 479.530 0.390 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)C2)C1 1840840094 XMNBQEQAMBDFKJ-DFBJGRDBSA-N 469.538 0.918 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(c4cc(OC)ncn4)CC3)C2)C1 1840840602 GANUXTIPFAPISR-DEOSSOPVSA-N 471.558 0.571 30 20 JCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1)C(F)(F)F 1840897142 NLIYAUYOIHEGID-INIZCTEOSA-N 467.491 0.422 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)CC1 1844301145 WTZHYSXUDKEMSZ-KOMLCTQHSA-N 456.565 0.390 30 20 JCED Cn1ncc2c(N3CCN(C(=O)c4ccc(S(=O)(=O)NCCC#N)cc4)CC3)ncnc21 21133361 JSGPWRMYVNRBGA-UHFFFAOYSA-N 454.516 0.518 30 20 JCED CCn1c(=O)c(=O)n(CC(=O)Nc2ccc(C#N)cc2)c2cc(S(=O)(=O)N(C)C)ccc21 22341869 NHWIBUOEVIHNRB-UHFFFAOYSA-N 455.496 0.944 30 20 JCED Cn1cc(/C=C2\CC(C(C)(C)C)C/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 25251289 CHTADWWLEMWVCN-VOMDNODZSA-N 454.527 0.974 30 20 JCED Cn1c(CCC(=O)Nc2nc(C#N)c(C#N)[nH]2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 26274547 LHNCEDCWYQBFIH-UHFFFAOYSA-N 468.499 0.632 30 20 JCED CCc1ccccc1-n1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccnn2C)c1=O 502064478 TZVDKRUDXQVGEH-SFHVURJKSA-N 463.563 0.993 30 20 JCED CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 514941761 WNCMZBKUVKSVJD-UHFFFAOYSA-N 482.541 0.792 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 515656022 BMCPFIIBJSHIRH-UHFFFAOYSA-N 468.579 0.206 30 20 JCED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 516013379 BOWWHFMYUDDEKO-UHFFFAOYSA-N 485.522 0.398 30 20 JCED Cc1c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cccc1-n1cnnn1 516044602 LUFVSZDMYSVIBB-UHFFFAOYSA-N 480.510 0.314 30 20 JCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 519493416 WURPFTWXRVWLEV-KRWDZBQOSA-N 464.544 0.671 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(C)c2)c1=O 522284738 YNASSSUJWBNPCW-UHFFFAOYSA-N 454.596 0.922 30 20 JCED C[C@]1(c2ccc(CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2)NC(=O)NC1=O 523930298 UVNCDAZFWQUETN-HSZRJFAPSA-N 496.549 0.829 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 590909426 NMWKNJMFLWLZIO-UHFFFAOYSA-N 459.524 0.713 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cccc(S(=O)(=O)N(C)C)c1 603787866 QLPNVIHHILORHX-UHFFFAOYSA-N 494.598 0.955 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(=O)N(C)C 609074854 RLKHQWGQHUWZIJ-UHFFFAOYSA-N 452.458 0.445 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CC2CCN(S(C)(=O)=O)CC2)C1=O 726115345 PUQBDMDLIAPJPF-OLRQPGBRSA-N 467.617 0.732 30 20 JCED CCN(CC)C(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403675 LXVWBCFUPVHKLR-JHGXHUTESA-N 495.627 0.671 30 20 JCED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 824404558 RTQNBRMTVDNFLG-MRXNPFEDSA-N 466.498 0.929 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@H](C)C(=O)N3CCN(C(C)=O)CC3)nnc12 853658055 ZRJBLROOXFPVEJ-OAHLLOKOSA-N 498.565 0.945 30 20 JCED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 1298878151 JUXKBZFLQONJAO-OAQYLSRUSA-N 459.576 0.401 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507785350 NNJKOOJXHMJCAT-QWHCGFSZSA-N 477.385 0.187 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1510217031 FXGQWKFNWORIKO-MJGOQNOKSA-N 492.650 0.858 30 20 JCED CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1515081786 YEHFBSLOYQNGTQ-QGZVFWFLSA-N 452.519 0.859 30 20 JCED CCNC(=O)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCC1 1515975006 USABUHHLLQYDLD-WBVHZDCISA-N 478.623 0.371 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1552743408 OVNBSRIVADRBGG-UHFFFAOYSA-N 480.573 0.465 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1617384795 RBFHNHSULSGNSV-QGZVFWFLSA-N 450.521 0.630 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC(=O)N(C)C 1692795001 NAOVRBQRFQDCDE-INIZCTEOSA-N 474.591 0.565 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722485672 POCAJBNRHZXNCK-AWEZNQCLSA-N 475.413 0.299 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1750998815 UBOHUZCJEHHVQC-UHFFFAOYSA-N 473.603 0.898 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778003015 NJZBWGUUBLQITL-UWHHFBIGSA-N 487.601 0.657 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2)c1ccccc1 1779184484 DGHYWTCKSCAZRS-RSEQLOHWSA-N 455.555 0.664 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779320456 WSLUGDJAOGNOHG-STSQHVNTSA-N 482.578 0.437 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1781390449 IPFKFGUWKBJQRX-ZCCHDVMBSA-N 461.519 0.624 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(CCO)CCO)C2)c(Cl)c1 1781839007 SYBYYAHXWYFZEO-NFBKMPQASA-N 478.977 0.626 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1781862320 ZKUHXAIKMLBFKY-JPYJTQIMSA-N 484.513 0.721 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CC1 1781963440 HOPNPHPDIZQRIE-HSZRJFAPSA-N 457.506 0.305 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782199040 HSVUIGAOTCXCGB-MBSDFSHPSA-N 484.513 0.721 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO4)c2c1 1782199675 VEDVTFHKUNZVSF-LAUBAEHRSA-N 457.512 0.455 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1782256260 QDEDAHKLLQGYBR-MKTUGGFXSA-N 493.601 0.911 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783113144 DYKQXEANVIHESI-YGKZAACZSA-N 462.547 0.344 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1783130905 WREWZPDFOQFUMI-WZONZLPQSA-N 469.498 0.003 30 20 JCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)C[C@@H]32)C1 1783459598 ZOCPWCXSGHZWIO-CUWPLCDZSA-N 467.570 0.967 30 20 JCED CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564816 APBIAAVJKKMIHH-REDKUUPNSA-N 451.520 0.844 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1783731602 JBUIVFLAHTUMRQ-YADARESESA-N 471.558 0.783 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)[C@@H]1CCc2nc(O)nc(O)c2C1 1785331396 WDWVRPSKYCZJAD-OHGSTSPDSA-N 483.525 0.685 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1785540320 XAFIZMQFTNRRPQ-NRFANRHFSA-N 458.565 0.791 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1785596632 PCSICLHGBLYWDA-NPFVIJTESA-N 460.535 0.577 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)c3ccc(C)cc3)[C@H]2C1 1786605546 VKHNFYVJEHDMPI-VBNDLKKDSA-N 489.594 0.607 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787500839 SVLJUYZQAAOYBC-IYXGVVJKSA-N 455.540 0.954 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1788575490 KPGWNMMFRUNACW-LAQRGFTBSA-N 462.503 0.309 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]3C2)c1 1788640705 QGLPJEXPSMHAGP-AGOPTVSRSA-N 487.509 0.655 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)nc5cccnn45)C[C@@H]32)cc1 1789573631 AGBRYFVGXMMWKD-BJLQDIEVSA-N 458.478 0.868 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1789892417 XWQGTTSDKOWBSR-RMMWZPCPSA-N 461.559 0.877 30 20 JCED Cn1ccc(N(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)Cc2ccccc2)n1 1791077564 JDGXHSQEYDTPLI-FKBYEOEOSA-N 493.564 0.885 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1791137802 CMIMULUVAOAZSD-MUGJNUQGSA-N 478.590 0.799 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN)C[C@@H]21 1791167139 GNHFYIUPJPGAFV-TUFLPTIASA-N 485.585 0.932 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1791286467 FYXLWUOROGDGRN-BDLQGWJCSA-N 459.499 0.533 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)C[C@@H]21 1792172373 ZKQHEVMDTOTUBH-BJLQDIEVSA-N 451.527 0.886 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1792259052 UZSIVMFIMJCMLI-VPAKFMSCSA-N 497.614 0.460 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1792262061 XSRMROYNKQTIGK-QAETUUGQSA-N 460.535 0.325 30 20 JCED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792272740 MEZOKEQNFPLBNR-FPSMNIFISA-N 466.579 0.947 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1COc3ccccc3O1)C2 1792484756 NRLMCCZGLAZQAR-WWQMNQQOSA-N 455.511 0.665 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1792792338 DDNVORUMRGTNNF-LRJIMHBDSA-N 477.649 0.556 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1793385533 QVYWGBPRJVWHFY-COZGXFGHSA-N 471.620 0.758 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793959652 XAUYYFWFQARTCZ-RCLSDMTESA-N 499.568 0.318 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CS(C)(=O)=O)C3)c(O)n1 1794488503 GAHHMDFLFAOHPY-GGXPGOJBSA-N 465.572 0.790 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N 1795466192 RMPVRCHPGKFUNI-FZKCQIBNSA-N 450.540 0.880 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCc3sccc3C1)C2 1795598176 DZSJZDYJVLTORH-RMFSNUHRSA-N 459.616 0.978 30 20 JCED O=C(Cn1cnnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1795859607 MMYKNLUPIQKDIW-ACHVPNTGSA-N 456.506 0.976 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796291060 VKVJYFRTQMYWBP-CWPLJXCYSA-N 462.466 0.589 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1796444666 BULBPAZFGQRKTM-BPNQKZMOSA-N 468.495 0.121 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797103175 ZBSWFXUDDUZWOP-CWPLJXCYSA-N 480.525 0.757 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)n1 1797782605 CUNMCWSNZALRID-CWPLJXCYSA-N 472.498 0.900 30 20 JCED Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)c(C(F)(F)F)n1 1798108742 RQOLQZGFDSBHPW-DIYOJNKTSA-N 490.332 0.997 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(OC)OC)C2 1799233309 OUMZXTTTYWVOTO-XMTFNYHQSA-N 467.563 0.892 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1799365915 AQLQFPRPPQFBMC-NRUGXNMXSA-N 470.567 0.653 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)C2)c(C(F)(F)F)n1 1800524201 UYJFSQDBXRXIMV-LSSIXWDNSA-N 451.405 0.311 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802084704 ZASAKCDDRATHDJ-UYTYNIKBSA-N 483.562 0.624 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccnn1)C2 1802140756 IGNJBPTYYUXSPW-ADPPENSOSA-N 474.562 0.898 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccnn1)C2 1802140757 IGNJBPTYYUXSPW-FPVWDGRHSA-N 474.562 0.898 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCN2CCN(C)CC2)[C@@H]1c1cccnc1 1806912682 QVGWLAAPQIKKGF-YRBHQURASA-N 468.602 0.583 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)cc1 1807949144 NBNSHWPITTTXTC-WIYYLYMNSA-N 483.492 0.907 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1810355478 BDKZVDHZKHLJCL-LCVUNBOPSA-N 459.547 0.949 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1811188006 XAXGQYIOWJFWPU-XMSQKQJNSA-N 476.537 0.989 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCS3(=O)=O)sc2C1 1824927451 FQKQMXQVBPBSGC-DOMZBBRYSA-N 453.590 0.914 30 20 JCED O=C1CN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)C(=O)N1 1824972454 UZFCHVOWCGOORD-KVYWOEGESA-N 463.535 0.687 30 20 JCED CC(C)[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828558651 FDYIAASAGJEHKV-QPPBQGQZSA-N 471.510 0.543 30 20 JCED NC(=O)[C@@H](N)CCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828572106 JJLSETFLHFHYJZ-LVXARBLLSA-N 495.580 0.445 30 20 JCED CN(C)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828856104 CEXICTPCQFITRD-QHCPKHFHSA-N 456.499 0.088 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1829864536 KBNKBEPBSRSKCY-XXBNENTESA-N 458.515 0.308 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1830462671 GDPTVNNHKVQDDV-DEOSSOPVSA-N 481.509 0.522 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1831208815 QYUXYBRYPGTVEV-AREMUKBSSA-N 479.533 0.933 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1831218613 YBMIKEMKBSFYAH-HSZRJFAPSA-N 467.482 0.162 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831340599 XZBKVVDWXNBAHT-JOCHJYFZSA-N 479.555 0.000 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1831396396 DUAWMFWEWCBYFN-QRQCRPRQSA-N 475.454 0.432 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)C2)C1 1831401746 DRRIJRCFEKTENH-YDIMBITNSA-N 477.558 0.398 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831426796 KDZPEQWZQSFNEO-IEGUWTFLSA-N 485.578 0.574 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1831693994 FMRTVNCVXAJHBD-JOCHJYFZSA-N 453.536 0.115 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1831770802 IGNWDNSGIAVSJW-ZHRRBRCNSA-N 461.519 0.396 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)CCC)CC2)CC1 1833075224 WUCVXNAXQYRAQD-ZEVQVBBLSA-N 461.607 0.721 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cccn(C)c3=O)CC2)CC1 1833584606 XSLSKNIMTNQWDX-SREVYHEPSA-N 455.559 0.429 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4noc(C)n4)C3)C2)c(O)n1 1833696843 PZDKRPUTSOUWGL-HSZRJFAPSA-N 471.514 0.910 30 20 JCED CCn1c(-n2nc(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)cc2C)cccc1=O 1834758005 FJOQFXULOHQFQL-QHCPKHFHSA-N 468.514 0.346 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(N4CCOCC4)cc3)CC2)CC1 1835137097 BYLPZNUHFULWSR-UHFFFAOYSA-N 468.554 0.796 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837442232 UDJLDLUUNBFGNV-UQQIOGDDSA-N 462.576 0.497 30 20 JCED CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489501 JQYYNBAUPVNXKR-XMMPIXPASA-N 458.559 0.980 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1837525381 VLUJCHOYLUFERO-JPDUQLBUSA-N 460.531 1.000 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1837529403 SWDQAGDEWKWQSS-QNRXVKNXSA-N 471.514 0.933 30 20 JCED C[C@H](Nc1nccs1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529637 XCBMKPOOGHVWHM-BQIKRUCSSA-N 481.575 0.929 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)no1 1837563331 WNJCOGZVMNCNNA-JBMWNJKUSA-N 473.486 0.480 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)cn1)CCO2 1837826253 HKQQETNSVMDCTC-QEVIJRNUSA-N 493.358 0.773 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838439404 PPJYBUAAWIXQTR-KOSHJBKYSA-N 472.542 0.922 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1838568697 JPBITEXYDJZRBP-MHZLTWQESA-N 492.528 0.957 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1 1838830531 CAIGPODALXJSPM-XMMPIXPASA-N 472.542 0.644 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839082771 IJBZQEHAZMHHDQ-DRLORSAXSA-N 465.550 0.896 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c(C#N)c1 1839132030 NZPCIERSPQCIAA-XMMPIXPASA-N 470.526 0.188 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)NC(C)=O)C3)C2)c(C#N)c1 1839132929 WEZSOIMLIAULKK-HJPURHCSSA-N 458.515 0.090 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839435169 POTOQVTUOLVPCI-WZONZLPQSA-N 455.515 0.928 30 20 JCED Cc1nccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n1 1839488271 ICVFLDSHYBFLGB-QHCPKHFHSA-N 461.482 0.917 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H]5CCCOC5)C4)C3)c2c1 1839489513 ZTJIUPLEOQYYGR-SBUREZEXSA-N 453.499 0.931 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3ccnn3)CCO2)C1 1839710849 JSZMPDVLXXDFLF-IXFSTUDKSA-N 492.577 0.765 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839726942 OTFNZXXOASIXGX-UMXIMWEHSA-N 489.638 0.997 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)Cc4cccn4C3)C2)C1 1839810417 WNABWQWRXFXYBS-KBMIEXCESA-N 486.569 0.945 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COCCC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810730 OECRMHQWTNHMQA-HOYKHHGWSA-N 477.558 0.350 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]4CCO[C@H]43)C2)C1 1839810745 PKWXPIWOLRHAKF-YLHGCELOSA-N 477.558 0.348 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1839842678 CWBGAQOKEPYIBP-QMHKHESXSA-N 471.514 0.961 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1839844434 JCWZEFYGCWVHCF-OPAMFIHVSA-N 462.572 0.560 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839962198 XJSMQUUDROYYGU-BKMJKUGQSA-N 479.533 0.997 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042613 FCNVLKDSDLCKOE-MHECFPHRSA-N 493.557 0.711 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1)c1ccc(O)cc1 1840221177 BIACINUOPBYGRV-NTKDMRAZSA-N 467.526 0.788 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1)NC(=O)OC(C)(C)C 1840795496 LIYCVLDFTCIGNT-AOMKIAJQSA-N 479.534 0.999 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1840819622 WPRZSNLMEXYDPM-XMMPIXPASA-N 476.493 0.750 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1840819886 LTDAUWPYXATTNQ-QHCPKHFHSA-N 452.467 0.808 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncoc3C)C2)C1 1840908827 IEWBUYICENABKO-SBUREZEXSA-N 476.530 0.970 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)c2ccc(CC#N)cc2)C3)n(C)c1=O 1841985061 TYWRJMDARWJYAX-UHFFFAOYSA-N 475.509 0.017 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2[nH]nnc2C)C1 1843160708 DNNWBYIWTQSSIR-OAHLLOKOSA-N 491.549 0.736 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1845201422 LPPFKEWBLSCAAK-GOSISDBHSA-N 468.595 0.336 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)C1CCOCC1 1846196400 URJFQVIKFCYJCA-KRWDZBQOSA-N 463.531 0.988 30 20 JCED C#CCCC(=O)N1CCCC12CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1846999526 JLMBRSJREBANFN-MRXNPFEDSA-N 455.577 0.931 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCCC#N)CC2)cc1 10901973 CEQBCFXKZUGWBA-UHFFFAOYSA-N 451.501 0.837 30 20 JCED CCN(CC)CC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 505360874 BTSSVKKNBQLTEC-UHFFFAOYSA-N 475.615 0.972 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C[C@@H](C)O1 514336345 YZDVJACHKZHOJP-OKILXGFUSA-N 469.951 0.648 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 518115714 NQUDAIKQWOLVIE-UHFFFAOYSA-N 466.541 0.395 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(C)C 592993222 OQDOKSZQGJFTMV-UHFFFAOYSA-N 484.557 0.941 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(=O)N(C)C 604508421 FVSCKIITHRRAKE-UHFFFAOYSA-N 494.520 0.255 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828513 ZPKQEITXSSXSKK-HNNXBMFYSA-N 492.557 0.661 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O 608911306 ZSOLKMBUTSFSSM-UHFFFAOYSA-N 452.458 0.689 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)ccc1F 609220935 UQOBFTKEYUBXPS-UHFFFAOYSA-N 492.532 0.807 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1=O 726043838 SUQDQKHHSIPSAA-ZDUSSCGKSA-N 480.499 0.220 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccnc2OC)C1=O 726401517 AQTWQHJPZMSLRV-GFDWPABASA-N 477.568 0.874 30 20 JCED N#CC(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577535 RCBIYEWTODFGSQ-UHFFFAOYSA-N 466.500 0.361 30 20 JCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)nc1 750344568 MGKKFTQKLGKBGX-UHFFFAOYSA-N 462.514 0.574 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(c3ccc(OC)cc3)CC2)sc(=Cc2cnn(C)c2)c1=O 837520275 KHXRHKTUBRKYLU-UHFFFAOYSA-N 492.605 0.914 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 887566707 XXNQOOLXJPHQRZ-CYBMUJFWSA-N 465.532 0.700 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 893402196 RVFFRJDGFPZADT-AWEZNQCLSA-N 469.516 0.850 30 20 JCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCNc1ccc(C#N)cn1 914859603 VDZCSIWYXNMJSD-QGZVFWFLSA-N 465.557 0.263 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2-c2ccc(OC)cc2)CC1 916194115 ZAJFREPRKOLCCC-UHFFFAOYSA-N 475.574 0.970 30 20 JCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)CC2=O)cc1 1318069410 QGDASYNBJUGZTP-IBGZPJMESA-N 451.527 0.874 30 20 JCED CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1515273747 IUSNDUSIXBUCJO-QGZVFWFLSA-N 488.618 0.955 30 20 JCED COC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1)OC 1555257648 XFZDNRUKFZOAJV-MOPGFXCFSA-N 478.575 0.780 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 1638518511 UYDMYDRAKNVSGA-SFHVURJKSA-N 454.574 0.690 30 20 JCED CC[C@H](C#N)Oc1cc(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)ccc1OC 1683666524 QQSVPJMDIQUWHH-QGZVFWFLSA-N 453.565 0.753 30 20 JCED CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 1728635176 ZLYILNUUHNTRKA-NRFANRHFSA-N 466.590 0.796 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(N(C)C)CCOCC1 1741942034 ZWTHKFJURXTTQC-FUHWJXTLSA-N 480.639 0.176 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(Cn2cccn2)cc1 1741944327 MFQFEYFABRQVCS-LPHOPBHVSA-N 470.559 0.910 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC(=O)N(C)C 1761499056 ZGAGGOSADXPPOL-HNNXBMFYSA-N 492.581 0.704 30 20 JCED COCCN(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769783074 JDOYUWXXWWYWEZ-GOSISDBHSA-N 453.551 0.680 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1779329718 AGASEHDOCNHXSE-ZGPJWRFFSA-N 459.609 0.401 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779422773 NYZAMUNNQDXRPQ-ZSNHMIAGSA-N 452.552 0.896 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780808542 XVRZUSOPMPVIGA-FDSZKQNJSA-N 476.578 0.772 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1781167413 CAGDXFHBUMVOMW-HOOSLVGPSA-N 493.605 0.106 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1781167933 LWNSANAORYJQOC-NXMSCROESA-N 476.574 0.792 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1781296716 UNWQJRSLPMLROK-KSFYIVLOSA-N 452.552 0.941 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C3)C2)c1 1781860369 HNUQRALUOQWGAU-FDDCHVKYSA-N 474.514 0.853 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3C(=O)N(Cc3cccs3)CC4)C2)C1 1782553349 JNLWNDJHWAYJJX-QHCPKHFHSA-N 497.533 0.132 30 20 JCED Cn1nc2c(c1C(=O)N1CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)CN(C(=O)OC(C)(C)C)C2 1782558637 IJZYATFROHAJEI-HSZRJFAPSA-N 487.513 0.202 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1783226991 XPLCDLXQKHCKTE-ZDPZECHZSA-N 466.535 0.870 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 1783529638 UWNGAYFBGJZUTL-ORIYOMJCSA-N 460.556 0.316 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21 1783529724 XILSGNHVLDZNPX-WVIRRXHPSA-N 472.586 0.616 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558562 ZRLJAMYRSULAEA-KOSHJBKYSA-N 486.525 0.435 30 20 JCED CSCC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783562741 QRHSRZDXAQYIBH-KSFYIVLOSA-N 483.587 0.941 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1785571491 CBKSDFCTKSABBC-HXOBKFHXSA-N 457.531 0.766 30 20 JCED COCc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788659394 LDHHUEYOOUXUNT-MREOJOQOSA-N 450.492 0.943 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(I)cnn1C)C2 1793356990 GMZOGATVWYIKEK-GUIRCDHDSA-N 488.326 0.819 30 20 JCED Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1794398138 DTMOQSCZVFSBQW-HBCWATKFSA-N 460.487 0.663 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOC 1795355344 XSTPDNOSWHSXEY-JTJHWIPRSA-N 481.590 0.936 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)[C@H](C1CCOCC1)CN2 1795499948 KMPSRMVAHWLLDX-KBVWPGPTSA-N 467.522 0.914 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(C)n1 1796660251 VRTLHXJNBUSPTP-NBMJBFSESA-N 457.531 0.905 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)[C@H](O)C1 1797309422 ADAZFLUBEXGFHK-JPDULQBJSA-N 476.574 0.888 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1797740553 RHKXOTNRSZTQHG-OVKTVULWSA-N 481.553 0.734 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(-c3cccnc3)c1)C2 1797808347 CDGAMMXHCUKEQK-DMZJUJLGSA-N 468.514 1.000 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1O 1798388156 HMWDXMMZYAXIIN-YALNPMBYSA-N 459.503 0.302 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(C#N)c2)CC1 1798860415 NNRXRJQPJFMTCZ-ACDBMABISA-N 460.556 0.433 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1799304397 LAKXZJUROYTPFD-UPHUGPLXSA-N 474.510 0.548 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1800598028 YEAINDQBVDPDSF-FSQVAEOSSA-N 454.524 0.997 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@]13CCN(C(=O)OCc1ccccc1)C3)C2 1800779074 RGKISIUXAPQMAW-CNUAPIKYSA-N 495.532 0.713 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1800806108 BFABSUHQKOFULY-NZKYLMMGSA-N 473.530 0.460 30 20 JCED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc([C@@H](C)C#N)c2)C3)c(=O)nc1O 1801970722 GMTSAGPISWTYRD-CWWINAKGSA-N 465.510 0.788 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1802124643 GPQQHIBLHPMYGK-NRUGXNMXSA-N 462.547 0.019 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)[C@H]1c1cccnc1 1802477599 QKEAQPLAOLFUDM-FPWSIBOVSA-N 464.526 0.960 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1808450398 NQIKWNHYFLIBKL-OFNKIYASSA-N 457.575 0.844 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(N3C(=O)C=CC3=O)cc2)[C@H]1c1cccnc1 1813973468 LYLLNAXSMKHXQG-MHECFPHRSA-N 472.457 0.919 30 20 JCED N#Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)ccc1F 1814807691 FAZVBKXWYDYWMI-ZFWWWQNUSA-N 458.519 0.901 30 20 JCED C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2)N1CCN(C)CC1 1822684011 AYLBAFOFDTVZPZ-CVEARBPZSA-N 461.636 0.973 30 20 JCED O=C1CN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)C(=O)N1 1824970649 UMQSCMQSLZLWNN-LJQANCHMSA-N 458.559 0.857 30 20 JCED Cc1cn2c(=O)c(C(=O)N[C@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)cnc2s1 1825667171 HGJUJMOPANWYIF-JTQLQIEISA-N 457.493 0.835 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807999 DCDURHWTMCTUGW-SBUREZEXSA-N 455.515 0.877 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1829260326 NZBTWMSLRXAJEQ-FDDCHVKYSA-N 475.567 0.752 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCOCCOCCOCCOC)C3)C2)C1 1829670579 DLWDGQWYGRPTFP-DEOSSOPVSA-N 484.590 0.495 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4sccn34)C2)C1 1829770458 QZVGTOCWWDBHHB-QATSOJGNSA-N 473.555 0.633 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1829773823 WTJNPWFVXCFDJQ-WEHRJKGCSA-N 467.526 0.351 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1829905952 OZEKVXQTEWFNEG-CPJSRVTESA-N 469.586 0.193 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CCO2 1830385622 OHXZVEXZVRVLDB-XNCKCSALSA-N 487.619 0.681 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CN(CCO)CCO)CC3)c2c1 1830826856 CEPJEOTZTVLXEO-JOCHJYFZSA-N 482.585 0.954 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)CCO2)C1 1830885780 KYIJXXXZQXJMCZ-IXFSTUDKSA-N 499.630 0.976 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)cc3)C2)C1 1831398805 LPMVALBXBCFZHO-DVECYGJZSA-N 452.511 0.981 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1831424020 AWXZNDADSIHZGU-FDDCHVKYSA-N 480.583 0.680 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1832000785 WVNKVJIQBAFZMA-IEGUWTFLSA-N 492.577 0.765 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832419943 FIMWOWRAILYHEM-VWLOTQADSA-N 453.539 0.897 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1F 1833738212 ZCHXCUWZFIOHPO-OVRHDEQLSA-N 450.515 0.653 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833830186 ZLAJEOZWKANUTD-WAIKUNEKSA-N 491.545 0.722 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccn2)CCO3)c(C#N)c1 1833977470 YZEKVDMDRHYXLA-HSZRJFAPSA-N 451.483 0.670 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834913517 VQRALGAKQXJZII-OAHLLOKOSA-N 494.618 0.824 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CN(C)C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1834945497 OYQAGUSXVCQCBD-FDDCHVKYSA-N 466.579 0.570 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346049 OWYBAHPWFYCTIA-OPAMFIHVSA-N 466.535 0.022 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1Cl 1835395975 KPHRHXBBJNVSNV-JOCHJYFZSA-N 462.934 0.614 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835640845 WNRGQLAPSVRAFF-IXFSTUDKSA-N 484.594 0.276 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1835673013 RBKSKIMWRHUFQL-XMMPIXPASA-N 499.547 0.758 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)cc1C#N 1835752474 QWEGGWCKTHOJSW-NTKDMRAZSA-N 487.557 0.008 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835828769 JDANSDSCEMBTND-WMZHIEFXSA-N 458.563 0.210 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c1Cl 1836127908 BVTXHAONBYGDGC-SFHVURJKSA-N 486.960 0.995 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1837401957 APEMGACTWZAYCE-GIJLVODISA-N 450.532 0.359 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1837524966 KFRJWOPHSUIACP-DRRDTLGUSA-N 470.592 0.021 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](COC)NC(C)=O)CCO3)c(O)n1 1837727730 RVUDKBLQAFDFNK-RDPSFJRHSA-N 490.557 0.127 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838509649 SYEDBGNKRBRMDO-KJTYKZCZSA-N 490.542 0.685 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)c1 1838581665 GGNSNFRBZSPISM-XMMPIXPASA-N 492.492 0.699 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1839074037 OZSBHPUNMNJEDJ-HSZRJFAPSA-N 483.562 0.865 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1839109474 HODADUJRYWYNJC-RGKFVRLKSA-N 481.590 0.883 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)c(C#N)c1 1839132930 WEZSOIMLIAULKK-MWTRTKDXSA-N 458.515 0.090 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839139805 VLBNULZKEDXDNK-QHCPKHFHSA-N 480.562 0.678 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1839184851 GBVFCUMPNDEZAP-BSRJHKFKSA-N 468.595 0.897 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1839225401 IXQQWLKZGXWIFY-KOSHJBKYSA-N 487.557 0.597 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1839227467 ROYZAVKWRCOPJF-LJBSYDGDSA-N 476.530 0.709 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1)c1ccccc1 1839237214 VOFPWHNIIQLMJE-URXFXBBRSA-N 451.527 0.932 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419367 XBSRIAHMTVYOID-FQEVSTJZSA-N 460.491 0.974 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cnn1C 1839487643 QFFRSRFNBOMXSK-QHCPKHFHSA-N 463.498 0.860 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839636870 QTSBECNFPPMZSR-PXDATVDWSA-N 484.553 0.718 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1)C(F)(F)F 1839892819 HQYUHBHFIQRTSA-GOSISDBHSA-N 483.509 0.233 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840071834 KYIWGVCTMYLHLE-DPSWKAHMSA-N 494.589 0.753 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)S)CCO3)C2)cc1 1840157325 LFFAKDFFQBFXJT-XGHQBKJUSA-N 485.628 0.437 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840170793 ZKUQATWKATXEGS-ZEQRLZLVSA-N 479.574 0.618 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C3)C2)c1 1840714332 QCCLEWUJQICONO-VOIUYBSRSA-N 491.508 0.428 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840821013 WIWJMHKIMXLVEI-QHCPKHFHSA-N 467.482 0.262 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1841053303 JBFJNQORQZSZIG-JKCVZHOFSA-N 476.574 0.666 30 20 JCED O=C([C@@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844299579 DZKIIHZNXJUSDV-FAKTWKTMSA-N 459.503 0.725 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C(C)=O)CC1 1847940781 XXCQFAZBNRAWKL-UFYCRDLUSA-N 477.606 0.822 30 20 JCED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1=O 110090192 DNJMERLLLXSLBN-FQEVSTJZSA-N 451.468 0.905 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnnn2CC(F)(F)F)CC1 513958258 NTZMPAXMGZSNBN-UHFFFAOYSA-N 475.478 0.732 30 20 JCED C[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(=O)N1CCS(=O)(=O)CC1 514370297 XNKBSDOZZQIIIA-CQSZACIVSA-N 475.527 0.784 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(CS(N)(=O)=O)CC3)nnc12 517809099 YBJZMJXGJYRXOP-UHFFFAOYSA-N 476.584 0.849 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C1CCN(C)CC1 518716411 XQCSPASVDJCPMJ-UHFFFAOYSA-N 488.585 0.980 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2-c2cnn(CC)c2)CC1 522386233 KEJAKKLEHZVWFG-UHFFFAOYSA-N 469.596 0.239 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522535622 CXEHLIHIWDYQBQ-UHFFFAOYSA-N 496.614 0.978 30 20 JCED COC(=O)[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(OC)cc1 553021882 GWZYXPYPLGGSKA-JOCHJYFZSA-N 486.550 0.904 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccccc2)c(=O)n1CC(N)=O 727160356 BTJWKPLILJHOEO-UHFFFAOYSA-N 462.531 0.328 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 727670538 ANPACGADOZAYOD-UHFFFAOYSA-N 467.503 0.948 30 20 JCED CN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 748488143 YCDYPKOBSPKDBI-UHFFFAOYSA-N 464.525 0.980 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 811833671 MMGOXFSRFRTHHG-GOEBONIOSA-N 456.542 0.179 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccccc2Cn2cccn2)c1 853720905 PAXLJRJAONYWRS-UHFFFAOYSA-N 467.507 0.941 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 920466273 GVNSRGOAVNAOGP-AWEZNQCLSA-N 458.496 0.166 30 20 JCED CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCCS1(=O)=O 1141411880 QBMDCIDDZLADDF-SFHVURJKSA-N 454.574 0.451 30 20 JCED CCN1CCN(C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1296184116 JEJIFJLFLZMXNM-RTBURBONSA-N 467.578 0.928 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1315068792 ZJOMSLKYLBDFOI-INIZCTEOSA-N 486.602 0.155 30 20 JCED COCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315966823 UFFXHVLXYLZHOM-JOCHJYFZSA-N 456.551 0.797 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359151372 RZSSXRIULGOASJ-HNNXBMFYSA-N 483.982 0.990 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1618840293 NRNHAQYLBJNPQE-UHFFFAOYSA-N 472.575 0.704 30 20 JCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(c3ncccc3C(N)=O)CC2)CC1 1642072070 QUTBTBNSWHOIBZ-SFHVURJKSA-N 453.572 0.773 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@]1(O)CCN(C)C1 1692770527 IQYOKSVJOIWECK-ZHRRBRCNSA-N 473.603 0.996 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCC(O)CC1 1706880340 RZRHRKIHHXGJIU-JXFKEZNVSA-N 453.613 0.865 30 20 JCED COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNS(C)(=O)=O)cc1OC 1730089528 AAIGGZVRVAKIFM-QGZVFWFLSA-N 475.575 0.688 30 20 JCED CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)NC)C2)CC1 1746457014 ZRDCPFHKQKHCOK-HXUWFJFHSA-N 472.619 0.582 30 20 JCED CC(F)(F)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1751184730 XFBOROXCMRHVFV-HZPDHXFCSA-N 473.550 0.833 30 20 JCED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1769365100 VUIQRICKEKUQON-UHFFFAOYSA-N 472.575 0.262 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H]1SC(=N)NC1=O 1778080829 MLHOBDXSQLVHRA-ONWWCGCMSA-N 495.602 0.832 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)C(C)(C)S 1780252028 HCKWBDATWQWUDA-ZHRRBRCNSA-N 495.602 0.815 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1781310110 BFZBCIYSIMUNEQ-HYBUGGRVSA-N 472.542 0.824 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2)C1 1783900494 IBAOUZVMYNHMPA-VVBPWWLESA-N 486.635 0.896 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CC(N)=O)C[C@@H]21 1784787344 ZGEJIZQXFMXCEV-FPSMNIFISA-N 466.579 0.947 30 20 JCED Cc1nn2cc(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]43)nc2s1 1784849715 QCCJOKBUHWMQOT-SZMVWBNQSA-N 473.603 0.903 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)[C@@H]1CCc2nc(O)nc(O)c2C1 1785330445 HBFVURXZBJRNTE-SMGBPWBFSA-N 486.573 0.444 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786367208 DXSOXCYUOMKFKD-XLAORIBOSA-N 450.536 0.906 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786739105 WRHBAPHCBZMRTJ-QAETUUGQSA-N 452.552 0.524 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786802644 PNPLPKWUOZATDQ-VMXHOPILSA-N 495.621 0.418 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1788639630 PAYFDZWVIUVALQ-BVPXEZJJSA-N 475.473 0.785 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn[nH]c3C(F)(F)F)[C@H]2C1 1789359764 XXFMMWGZUZTAME-AVGNSLFASA-N 457.457 0.699 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C[C@@H]21 1790792999 LKLIXAILMHQTBF-XSLAGTTESA-N 464.563 0.361 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(C)=O)[C@H]2C1 1790874530 CVKHRJVWNWHRRB-OKYOBFRVSA-N 464.563 0.409 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791284036 XYLKTQUSGWKMIV-ZVNUAYGVSA-N 455.508 0.111 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792140860 SHQFHWUZYVCOKF-XSLAGTTESA-N 464.563 0.936 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(=O)OC)CC3)C[C@@H]21 1792258795 QOLHWHBNDVTXRG-FJIDUMEYSA-N 477.558 0.836 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1792261279 GOXRDPAWLSSZBM-OVWQWFNUSA-N 460.535 0.325 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1792267143 NSLCZHKVZGKAOV-DAWKRRPCSA-N 464.563 0.572 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)cc1 1793008903 ZYXBHCFBMLWHOU-BMFAXAFESA-N 462.572 0.801 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NCc1ccc(OC)cc1)C2 1793346334 LRGQNHCSXSKGFE-ZHNFZGJGSA-N 471.554 0.720 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NC(C)=O 1793374035 MBMBAFMBSRIXMM-XMTFNYHQSA-N 466.579 0.960 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)CC 1793542750 YPTLDBXKHLZAMF-YVSFHVDLSA-N 455.577 0.976 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 1794592221 BPOVOJBZXFZZBV-MHORFTMASA-N 474.562 0.715 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C1 1797120361 OWPCWSBQSHHJEC-XQPJFTJZSA-N 461.559 0.607 30 20 JCED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(CC#N)cc2)no1 1799642052 SHCULTRREPBWQS-RMFSNUHRSA-N 451.483 0.682 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)C2)C1 1800720321 RQGFVSRFCLSQAV-UPHUGPLXSA-N 475.542 0.701 30 20 JCED CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779434 CKWIPEVBUWZKCZ-KSPBDQMDSA-N 488.440 0.400 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CNC(=O)c2cc(C)on2)[C@H]1c1cccnc1 1802483583 SMYGSHQTZWLYFH-YRTIDYAOSA-N 480.525 0.672 30 20 JCED N#Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)ccc1F 1808549628 NOTCZACFKQZERD-UZUQRXQVSA-N 478.484 0.893 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1810279281 SLPHNMRRMVXDTD-IXVOPGFYSA-N 455.519 0.157 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828990289 NBUYENVZKFVKFN-RLWLMLJZSA-N 495.580 0.445 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCN3C(=O)OCc3ccccc3)C2)CC1 1828990857 XCIYEYDDEXIEHR-UQBPGWFLSA-N 496.568 0.335 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1829349808 UEIMMUWXVWNYQP-AOJNWGRGSA-N 482.581 0.965 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1829766285 PWNIJEOLCLSRRT-QEVIJRNUSA-N 461.544 0.344 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5ccncc45)C3)C2)cc1 1829903462 UYZKQVLNNBWTBG-DEOSSOPVSA-N 460.494 0.914 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)C#CC(=O)O)CC2)[C@@H](O)C1 1830249705 MOJJXQUEIUYSIZ-FHWLQOOXSA-N 477.558 0.922 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C(F)(F)F)C2)C1 1831386338 FOCASNAJGWSEGH-AUUYWEPGSA-N 458.437 0.547 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1831392930 RCYJSWLNROOLNR-BTYIYWSLSA-N 462.459 0.107 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)C2)C1 1831398714 JOQNFBBIFBEQKL-QMHKHESXSA-N 491.497 0.720 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1831425372 UBYZSVZDHPJMNP-XMODTWTHSA-N 497.589 0.404 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1831997915 IEDUJIGDSWSRHR-AOMKIAJQSA-N 478.550 0.355 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1832000381 NOBUBORERJDQKE-OPAMFIHVSA-N 484.550 0.268 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1832068689 HFLHDIZKJUSGBE-JXQFQVJHSA-N 478.590 0.454 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246351 DBRAGSFKLUBSIM-NHYWBVRUSA-N 460.446 0.752 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1832446658 DRSQFXHVZCFNHN-HRAATJIYSA-N 473.592 0.248 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1832453325 UZINLUQWDNTFPZ-KKSFZXQISA-N 473.592 0.248 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc4sccc4c3=O)CCO2)C1 1832896941 ZXMLZLXETLAJDF-JLTOFOAXSA-N 451.570 0.838 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)nc1F)CCO2 1833259665 BCXBFPGYDNKEPR-SFHVURJKSA-N 470.251 0.141 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116380 IOHLZNYFDVEIAN-GOSISDBHSA-N 485.651 0.785 30 20 JCED CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1)C(=O)O 1835732252 KDVOTSIEBPCVJK-GXDFBKAQSA-N 450.584 0.092 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)c1 1835997252 IEYSPLPVLSEGCA-XMMPIXPASA-N 466.494 0.499 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn(-c3ccccc3)c3c1COC3)CCO2 1836392652 RUBPLZBUXJOCMS-XMMPIXPASA-N 480.477 0.061 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836756837 VDTFHAWSIHOHNS-GOSISDBHSA-N 481.546 0.349 30 20 JCED O=C1COc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)cc2N1 1836991796 AFKROXSUNNJEBC-ZVWIGDQWSA-N 485.541 0.559 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCc3[nH]cnc3C)CCO2)C1 1837327946 BHJQUPMOUDISKN-DYESRHJHSA-N 450.561 0.446 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1837399670 ZCUXUNRRDVEYMC-OSPHWJPCSA-N 471.510 0.465 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1837440802 YSCHARHEVLYPKI-NHVVDLMHSA-N 468.558 0.805 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1837526846 WBULZQJYUDVTNV-VRRXETNQSA-N 467.910 0.729 30 20 JCED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c2c1CCC2 1837528759 OOPHGHCRNJONNX-XKUSAJHISA-N 475.546 0.508 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837529718 CZGIHDQGULYGLJ-KUPSQVHKSA-N 452.508 0.012 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837545269 OQDHMVFCZBBONY-HXUWFJFHSA-N 452.533 0.088 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2ccccc2=O)CCO3)c(C#N)c1 1837689186 PHOCDDKZZYOFEF-SIBVEZHUSA-N 494.548 0.989 30 20 JCED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(C(F)(F)F)n1 1837960619 LVYGVWWKOQTWRP-FQEVSTJZSA-N 486.495 0.791 30 20 JCED CN1CCN(CC(=O)N2CCC(OC3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)CC1 1838285275 JYFBYXZRPMBVCW-UHFFFAOYSA-N 474.646 0.931 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N3CCC(OC4CCN(C(=O)C#CC(=O)O)CC4)CC3)c21 1838521697 HNSXYCXEJWQFRU-UHFFFAOYSA-N 454.483 0.979 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)c1 1838907399 QLDNYMBHJHKPAC-HSZRJFAPSA-N 451.483 0.921 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)cc1 1838951861 MDBMCQVCWXWQFO-DEOSSOPVSA-N 474.477 0.345 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]1O3)CCO2 1839085241 CPPHZXBGBZVVNX-AVCGMFPDSA-N 499.630 0.786 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)nn1C 1839421419 OUOYCKJOMMVQRJ-JOCHJYFZSA-N 457.462 0.823 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c([N+](=O)[O-])c1 1839462147 KMLNBUXJBIUNNC-RBZFPXEDSA-N 467.500 0.770 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486283 RKEGTWBRSLVNOQ-JPYJTQIMSA-N 468.514 0.419 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)Cn5cc([N+](=O)[O-])cn5)C4)C3)c2c1 1839487594 OHFRLGPALHFEEO-QFIPXVFZSA-N 494.468 0.309 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cncn1 1839489042 MIINZTKKPWWYMG-QRQCRPRQSA-N 464.486 0.357 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1839779497 AMENYMONMJMKET-OFNKIYASSA-N 475.567 0.524 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)[C@H]4C)C2)C1 1839810110 DKNZTPGEXLGYLP-XDHUDOTRSA-N 487.557 0.898 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1839810905 XTGPFGCIAHOBPW-YLHGCELOSA-N 477.558 0.491 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)C1 1840041357 IAGFANYMZQVCPZ-FQEVSTJZSA-N 470.400 0.672 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4[nH]nc(C(F)(F)F)c4c3)C2)C1 1840044250 AOAYZMDBOFUOIN-FQEVSTJZSA-N 480.399 0.740 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1840173119 CUYAXQDTXHNSME-QFIPXVFZSA-N 452.471 0.217 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840365272 FGIMDQDUUMBGDB-CJAUYULYSA-N 479.537 0.922 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840371653 VNGNTUGZFLWFCA-ZJSXRUAMSA-N 480.525 0.099 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)n1cnnn1 1840478250 LEYFTMUPXPCINT-XOBRGWDASA-N 459.894 0.529 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1 1840712479 LDZFMALIHPDIMI-HXOBKFHXSA-N 456.499 0.836 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880631 BRNOKKUOQXOHQG-RZGDIKBMSA-N 476.526 0.846 30 20 JCED C=CCSCC(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1841884622 ZSAXCZLJBVUDNX-UHFFFAOYSA-N 462.597 0.964 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842814705 YQQAVCJUCMHFOA-OAHLLOKOSA-N 456.565 0.822 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)C1 1843992262 YIILSEDFONTDIP-FPLPWBNLSA-N 499.572 0.704 30 20 JCED O=C1CN(c2cccc(C(=O)N3CC4(CCCN4C(=O)/C=N/N4CCCCC4)C3)n2)CCCN1 1844258485 HXJLBAXWQTTXIY-CVKSISIWSA-N 467.574 0.697 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845014197 GNZXYUMDNSMSRN-UHFFFAOYSA-N 488.566 0.554 30 20 JCED CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 10453048 WAHGLTJSGANVHU-UHFFFAOYSA-N 476.580 0.932 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(C(F)(F)F)c2)c1=O 489072083 OOESANXJKAUTJE-UHFFFAOYSA-N 480.512 0.900 30 20 JCED N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c1 502015683 IDCVVSDYEPNANL-IEBWSBKVSA-N 458.540 0.771 30 20 JCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2C#N)CC1 505625845 YSZUEVMLZUKVGI-HXUWFJFHSA-N 490.607 0.989 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 509991105 POLZWQMDIWQMAN-UHFFFAOYSA-N 463.560 0.792 30 20 JCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 515918271 VXTHLOFBRXZULE-IBGZPJMESA-N 465.514 0.719 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 517863199 ITXXGSVAHGHYQS-UHFFFAOYSA-N 466.541 0.428 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 522284168 OKIBUZHGJBKCQX-UHFFFAOYSA-N 498.605 0.400 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592992531 HTVJQRVQGNCSKB-UHFFFAOYSA-N 456.503 0.305 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)c1 603464208 PQAQIMDVUJXXGV-UHFFFAOYSA-N 454.512 0.036 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 608828415 SMPHNRQYJQQMTO-UHFFFAOYSA-N 490.541 0.798 30 20 JCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)c1 608889452 RPPHHPQZCPMRHZ-UHFFFAOYSA-N 476.536 0.669 30 20 JCED N#Cc1ccc(CNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 746568433 XZTMHWGJPIUAOD-UHFFFAOYSA-N 456.480 0.152 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 894679592 PZAADZJISJZQLU-CYBMUJFWSA-N 455.489 0.273 30 20 JCED Cn1c(=O)ccn(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1=O 915394179 PCXJZRUHONVJEQ-HNNXBMFYSA-N 469.498 0.460 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1=O 918181047 PQRZNEVDDARNPL-UHFFFAOYSA-N 460.922 0.900 30 20 JCED N#Cc1cc(F)cc(C2(C(=O)N3CCN(S(=O)(=O)[C@H]4CCS(=O)(=O)C4)CC3)CC2)c1 1141918206 RSNIRGBUHADKRO-KRWDZBQOSA-N 455.533 0.390 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1 1293532837 MOYUCIJSCNJJFJ-UHFFFAOYSA-N 450.489 0.217 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1297779076 WDXLCSQEEWKPKZ-QGZVFWFLSA-N 461.592 0.913 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359084761 RCFMGBKSUVBRMV-KBPBESRZSA-N 496.453 0.854 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCS(=O)(=O)CC1CC1 1541922607 LCWVJDATGMSLGW-AWEZNQCLSA-N 458.610 0.843 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)c1 1555794679 OXEPMZFHMAUJRU-MRXNPFEDSA-N 480.572 0.113 30 20 JCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CC(=O)N(CCOC)C1 1614028901 SSKDKMIZUCEETN-IRXDYDNUSA-N 453.551 0.712 30 20 JCED CCCNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1614953505 LOWQDHCLGLJYIS-QGZVFWFLSA-N 480.577 0.807 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1712711363 KMINHPHCZVVTNZ-UHFFFAOYSA-N 480.554 0.723 30 20 JCED CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1728803897 LLHNHHMUNKQDND-FPOVZHCZSA-N 467.592 1.000 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2)C1 1750211716 RVHIXUAUCRGOSV-QZTJIDSGSA-N 467.596 0.216 30 20 JCED CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1765284654 SLBBSUFXBIWSSX-KRWDZBQOSA-N 480.616 0.969 30 20 JCED COC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1770755886 IWUFKOBWVMRJEZ-ZYSHUDEJSA-N 478.575 0.999 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cc(Br)ccn4n3)C2)C1 1778762773 VERXTPNRBLPMOD-LJQANCHMSA-N 461.272 0.628 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1778970113 FOTITQSEHBWEDM-DFBJGRDBSA-N 498.584 0.583 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 1779901382 PILPULCIJSQTNJ-HJPURHCSSA-N 473.530 0.845 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1Cl 1780190061 HXFDWKCWLBKPLZ-NRFANRHFSA-N 454.874 0.858 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781380830 SJPGONSPMHCTIR-GBXCKJPGSA-N 486.606 0.476 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1)NC(=O)OC(C)(C)C 1782666921 MVGLZNKIVPVAKI-UUOWRZLLSA-N 489.573 0.933 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873121 GTNOGKSOJVINOY-LFALDJFMSA-N 490.626 0.765 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1783168165 YVFDXQOTUSBIMM-QQMNAOGKSA-N 462.547 0.518 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783603275 OROJWASDSSAZOR-OPAMFIHVSA-N 451.520 0.686 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1783844549 LXULORHUWCJWSW-GVVDHYSOSA-N 468.554 0.839 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)Cc4ccccc4C3=O)[C@H]2C1 1784160867 JAVGFPDSRIUZJQ-XIVBQZFQSA-N 459.568 0.900 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C[C@@H]21 1784477862 PDAWOYJZAMBVFU-FYQPLNBISA-N 481.590 0.936 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1784485412 LSTWTGMMMPXEEW-XIVBQZFQSA-N 469.498 0.310 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5c4CS(=O)(=O)C5)[C@H]3C2)c1 1787151321 VVNIJPPGRIUJHJ-WFXMLNOXSA-N 497.577 0.936 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21 1788657096 ZPOLZGPGGKXUBH-BLIKVWNVSA-N 465.482 0.905 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)nc5sccn45)[C@H]3C2)c1 1789138299 FVFNZTZXTPPXEO-ZQIUZPCESA-N 452.496 0.863 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21)NC(=O)OC(C)(C)C 1792109649 VVADERXOYQSBOB-XSLAGTTESA-N 466.579 0.962 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4)C[C@@H]32)c(=O)nc1O 1792132102 IPPNTWPTASCDEE-FHWLQOOXSA-N 451.483 0.423 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1792257471 GBYAJVGTSDFGQH-JONQDZQNSA-N 487.500 0.993 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCSC)C[C@@H]21 1792258449 DTZQWZSFBOWPAL-QTMHVTGLSA-N 483.631 0.997 30 20 JCED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)n(-c2cccc(=O)n2C)n1 1792631617 QSMWQZLSOHMUCO-CWPLJXCYSA-N 452.515 0.632 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1793088158 WARCLKPCJNGJFK-YVSFHVDLSA-N 450.536 0.546 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(N)=O)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793173339 JONBBAODVAGKMT-RCLSDMTESA-N 499.568 0.725 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1)C(C)(C)S 1795288889 CAHTWQMZVGOKGJ-SSRUIJIPSA-N 484.619 0.456 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC 1797583530 FHPZYIOBRMNAIS-DXWTWGPWSA-N 484.550 0.110 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cc1F 1797818027 HFDGZEGYRNYBAZ-HHWFMCFWSA-N 497.545 0.961 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(=O)n2C)C3)c(C#N)c1 1799239023 SQVPQWWVOKUGHV-FEJSZKPUSA-N 450.495 0.711 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1799334593 NRBDQTBEPIIFCN-FCGDIQPGSA-N 468.514 0.879 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800194179 QXWQDLUFEKRRKX-AXVVYFOYSA-N 475.546 0.302 30 20 JCED C[C@@H]1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CN(C(=O)OCc2ccccc2)C1 1800778443 XZCDRTGEIDIDOZ-ISPHGWFKSA-N 497.548 0.959 30 20 JCED COC(=O)[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2)NC(=O)OC(C)(C)C 1800912111 RZIQTDZVTBTVKH-NRUGXNMXSA-N 498.577 0.833 30 20 JCED CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1 1801916951 LEZVHNMDPOMTDX-KSPBDQMDSA-N 454.888 0.035 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCNC(=O)COc1ccc3scnc3c1)C2 1801989836 ASXSSHXPZJLRDG-MUJYYYPQSA-N 484.534 0.908 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)c(C#N)c1 1807049045 WJHYDKWVMQCZLL-UTSGNWPNSA-N 478.553 0.803 30 20 JCED O=C(NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807946506 SBROKPDEVZCEEM-UTKZUKDTSA-N 490.524 0.226 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)/C=C/C(=O)NCc2ccco2)[C@@H]1c1cccnc1 1810470689 WAIOQJYTYANHAB-CAAHHEOISA-N 450.451 0.641 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1812872651 GNZWJYZPHFDQMJ-KOSHJBKYSA-N 490.516 0.956 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812880051 WJRHDRJKRPINAH-NTLWEQJWSA-N 486.525 0.546 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815328362 NYTAWQKLWPQVLH-LLVKDONJSA-N 469.531 0.382 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1816181517 AEXBUVWQYXERPT-MRXNPFEDSA-N 459.484 0.743 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1819840844 GIJDTKRTCSKYNJ-CYBMUJFWSA-N 459.528 0.306 30 20 JCED Cn1ncc(Br)c1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825666565 AUXFXKZWFYNBRW-MRVPVSSYSA-N 452.290 0.953 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828570915 FZLPDAWMJPZWJS-IQGLISFBSA-N 498.536 0.441 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCN2C(=O)OCc1ccccc1 1828930788 OYGHHAXAYDKHOI-DEOSSOPVSA-N 452.511 0.694 30 20 JCED N=C1NCCN1CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828981568 OGRANOZGQIDRNO-SANMLTNESA-N 492.580 0.692 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330697 OMSQTCGPLZQQFC-KBMIEXCESA-N 481.505 0.565 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)COC4)C2)C1 1829766333 RUFATEOEFSGTST-VRWDYKOXSA-N 455.511 0.645 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)cn3)C2)C1 1829770293 HUGVHCDJVZSNAM-QEVIJRNUSA-N 493.358 0.773 30 20 JCED CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1829891192 ZTFMRPRFBQLWIK-PHPQDFSTSA-N 452.552 0.314 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)cc1 1829899434 ZSIGFFDMAMAUHE-VWLOTQADSA-N 479.537 0.705 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1830046770 LAZKZVPHIKGRDI-NRFANRHFSA-N 463.922 0.553 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H](C(=O)OC)C1)CCO2 1830714656 SKYPMJFZNYVDGM-STSQHVNTSA-N 466.531 0.542 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831223779 YNKGYEILDSFMJP-JOCHJYFZSA-N 465.522 0.815 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1831387848 LXRKJCKKBJKQMJ-UNIVCBNLSA-N 483.565 0.530 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1831396389 DUAWMFWEWCBYFN-IVZQSRNASA-N 475.454 0.432 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1831401416 BIAKDRJZNWTYHL-HOYKHHGWSA-N 458.511 0.510 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1831435124 LTQGCXQGMNBEHE-QRQCRPRQSA-N 476.555 0.787 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1831482369 GUACVWZFLVOPJI-JLHGSKIFSA-N 489.635 0.673 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)cn2[nH]cnc(=O)c12 1831491406 BJHILEYPCNXNIJ-UTKZUKDTSA-N 463.560 0.355 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)CCO2 1831524589 VFUXLAGZSULXSE-YADARESESA-N 469.538 0.900 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)COC)CCO2)C1 1831638975 ITNUMWODVIROFO-IUKKYPGJSA-N 467.563 0.642 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)c3ccccc3C1=O)CCO2 1832534339 DDCINIMIJHSFKE-VWLOTQADSA-N 467.522 0.933 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccnc(C)c1)CCO2 1832620203 UDBXTARVDGPUCW-ZKWSMMDQSA-N 456.543 0.637 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833224014 QCJUEKHHWRBBFJ-GOSISDBHSA-N 468.595 0.728 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@@H](NC)C(=O)O)C3)C2)c(O)n1 1833698931 PTYSVGVCZZBWMJ-WZONZLPQSA-N 476.530 0.039 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833837409 AIXRNRGQWJXJTQ-WAIKUNEKSA-N 489.529 0.169 30 20 JCED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)cccc1=O 1833872927 JBVLRQCENWDQSJ-DEOSSOPVSA-N 468.485 0.709 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](OC)c1ccccc1)CCO2 1834918571 IYMLREKDQGWLNW-AYTIABRCSA-N 457.527 0.689 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320776 NYCDXCJLRDCVCQ-RBZFPXEDSA-N 483.447 0.554 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1836473375 FJZCHTFHVSHOCU-YADARESESA-N 488.541 0.514 30 20 JCED Cn1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)cn1 1836520812 SZTYIBJYIDPHOX-TWKPZUECSA-N 458.540 0.920 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837318629 WKDISRCLOSEAID-SNMORSHISA-N 461.393 0.260 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447396 MSULKZULTKXQRP-TZWBQFSNSA-N 451.568 0.219 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837490749 NMDWCYFGZWFOLT-DEOSSOPVSA-N 467.526 0.498 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1C 1837531585 QAUQJAARQYDSGS-XTSMJKTBSA-N 465.507 0.028 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1837532758 GCPGZDLEHJGDAS-AMBMRLSTSA-N 453.536 0.523 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)C(=O)Nc5cccnc5)CCO4)C3)c2c1 1837632764 XGNKFHDAZKMYNK-XMMPIXPASA-N 489.492 0.538 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)n1 1837655962 ILGVWEZDZRAXQX-XMSQKQJNSA-N 466.604 0.698 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(C(=O)OCC)c3)CCO2)C1 1838719407 UFJHPPJXRZRICU-UZUQRXQVSA-N 459.499 0.367 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742639 KNMXVJXEFWIKTQ-UUOWRZLLSA-N 485.541 0.873 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838742928 RSDVEKLLBDVIOC-QFIPXVFZSA-N 461.519 0.871 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839082647 OKPKNHTZRVPRSJ-UZINWLIJSA-N 487.597 0.542 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1 1839130872 YNYHNYQJNOVRPT-JPYJTQIMSA-N 467.563 0.786 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Cn4cncn4)C3)C2)c(C#N)c1 1839132959 UXUCCHLKOMWTES-MHECFPHRSA-N 482.541 0.494 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1839165634 PZKZAFFVRJCCBM-STSQHVNTSA-N 482.578 0.437 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839204114 HXXCJOYBMXCQQJ-JPYJTQIMSA-N 491.545 0.232 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccc1Br 1839299132 RYUAAOZEIYXSAU-HXUWFJFHSA-N 481.299 0.616 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839373069 UDIDORNJNNVYBJ-YVABFXQFSA-N 462.503 0.345 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(=O)OCC)cc3)CCO2)C1 1839444583 VJUMVIXFMWMYNH-UUOWRZLLSA-N 458.511 0.972 30 20 JCED Cn1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n1 1839488139 ZTESJBCYLZLJNC-QHCPKHFHSA-N 463.498 0.481 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(Br)n3)C2)C1 1840042853 QRZXXYKZNFMZEZ-INIZCTEOSA-N 458.290 0.064 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-c4cnccn4)c3)C2)C1 1840043458 ZWWRMGSDXORPPQ-HSZRJFAPSA-N 450.451 0.302 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1840163452 UIJOVQGBPLBXSZ-AERDPVEMSA-N 485.603 0.540 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1840168674 YAGUHFBWJAZMNQ-ZYLNGJIFSA-N 493.601 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(C)cc(F)c1)CCO2 1840238508 PRMWLZLXNROJEE-WRAFWBCBSA-N 459.518 0.991 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C(=O)OC)cc3)CCO2)C1 1840278097 SVWWAXNROVAVSI-KOSHJBKYSA-N 458.511 0.510 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)c1 1840713296 AYSDSSRWKQVWPU-UZUQRXQVSA-N 454.531 0.224 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1840916126 ADEVKRONRJYHIJ-HOOSLVGPSA-N 499.605 0.698 30 20 JCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)NC(=O)OC(C)(C)C 1846934833 SBCBZYPDEWGYOH-CQSZACIVSA-N 486.533 0.489 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1847262907 OBOVJBJCWHDROE-ITFIHQDOSA-N 462.547 0.730 30 20 JCED COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 24733062 BVPMAJHMAFMRBN-UHFFFAOYSA-N 492.579 0.630 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C1CCN(C)CC1 518724302 SOCKNIFNFCVGLN-MRXNPFEDSA-N 470.595 0.839 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cccc2Cl)c1=O 604269800 CMKRGLBGQNOUQG-UHFFFAOYSA-N 478.933 0.152 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(-c3ccccc3)o2)c1=O 604270521 VRZIOAGJSXBJTH-UHFFFAOYSA-N 492.557 0.620 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(OC)nc1 608883817 IXMRWKYELMQOCB-UHFFFAOYSA-N 495.517 0.867 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(N)=O 608911111 KNMUKFJWNHDRAW-UHFFFAOYSA-N 456.549 0.266 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O 725921533 QLBRZJYTVJOEFO-UHFFFAOYSA-N 456.484 0.980 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CC(N)=O 727161144 QBZGSQLKGFRAHE-UHFFFAOYSA-N 478.958 0.103 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCS(C)(=O)=O 729671474 OKVLQSWYFZHVRD-UHFFFAOYSA-N 457.986 0.475 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 729671683 VFIRHKZWCONLFB-UHFFFAOYSA-N 489.619 0.869 30 20 JCED O=C(CON=C1C(=O)Nc2cc3c(cc21)OCCO3)NCc1ccc(C(=O)N2CCOCC2)cc1 852326858 POSWQTWIXJYMSJ-UHFFFAOYSA-N 480.477 0.919 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)ccc1F 914659458 UBZXCNNOEQMVCK-UHFFFAOYSA-N 498.577 0.506 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(N2CCOCC2)c1 1288872641 YGXLZCFOMMBYLJ-VQIMIIECSA-N 475.575 0.502 30 20 JCED CCS(=O)(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1503282706 UODMBPIRXOFFIZ-AWEZNQCLSA-N 458.548 0.727 30 20 JCED C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCNS(C)(=O)=O 1593834096 IGYTVCLJRKAWDV-UHFFFAOYSA-N 477.012 0.933 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1770343214 KDKRPZIADROXEB-CPUCHLNUSA-N 460.557 0.046 30 20 JCED CN1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CCO3)CC1 1778260891 PAYAQWXJVCQNER-OAQYLSRUSA-N 480.491 0.663 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1778964821 JBEXXVMABIVEEJ-NRGSMNHXSA-N 473.570 0.569 30 20 JCED O=C(/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1)NC1CC1 1779423052 BXWFPBYGVLWAJP-BMLJBRRVSA-N 462.547 0.864 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780332852 GPUADKQCNRPNBU-CEXJFXJFSA-N 473.530 0.700 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)CS(=O)(=O)N2CCCC2)CCO3)c(C#N)c1 1781172432 PZSQPJPVDOEENX-HSZRJFAPSA-N 490.582 0.365 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)(n2ccnc2)C1 1782861987 NSIISKDORFWCJG-DHIUTWEWSA-N 472.546 0.963 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)c4ccn(C)c34)C[C@@H]21 1783531157 FMTSQVVQNAZOIP-NEEPFQIASA-N 467.526 0.731 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1784601527 RUOZKSLFZPHUAA-BOCKYXSRSA-N 452.515 0.967 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1785381731 CSDOQWOCLCSIRE-LJQANCHMSA-N 454.405 0.445 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1786572420 PDLHTWKQIAZSDR-FSGKZVOOSA-N 490.601 0.942 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CS(C)(=O)=O)nc3)[C@H]2C1 1787249039 YAMYBQPZLRVJJI-LQJIQPLVSA-N 463.556 0.258 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)[C@H]4SC(=N)NC4=O)[C@H]3C2)c(C#N)c1 1787499530 CHLJBNSSELHXHT-ACEOAOOWSA-N 499.593 0.892 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)N1CCN(C)CC1 1788660290 HAYCEBPQUSOKJT-RLPDIXCZSA-N 465.595 0.131 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)[C@H]2C1 1789828820 IBOFZYQTSYFIHX-XSLAGTTESA-N 464.563 0.361 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccccn3)[C@H]2C1 1790586335 KKMAWUCGOPUTLE-TXTPUJOMSA-N 458.559 0.753 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1791044903 OROQXTPDNXZMNC-BRHFBXIFSA-N 475.542 0.701 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1792170232 OVVCNYNSUOTOCE-HVTWWXFQSA-N 463.575 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1792488569 IUDFLJXFACPJMK-RHNHGDFNSA-N 453.499 0.028 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccc1Br)C2 1792490017 IEPZLPJUAFEWRW-IDZYNVOGSA-N 463.332 0.906 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1793341490 WGPNCJMNXMKFKS-RGSMHCDZSA-N 493.601 0.622 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCNC(=S)NC)C3)c(O)n1 1794491033 PWDCVLWYXDOYNO-CCWDJLKJSA-N 461.588 0.593 30 20 JCED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)C2 1795420079 YIYNXFQKCKAGFU-FEJSZKPUSA-N 466.538 0.975 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1 1797258759 TYBGRHWGKHNFHH-LJCCNALRSA-N 463.531 0.701 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1799304230 ZQERHJWMMGMMPD-PHFADZCDSA-N 459.499 0.551 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1799320744 NLNKPDKGVRXHDA-OREBXVKISA-N 464.563 0.714 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799327579 YNYKCSOMJNFDJD-NNTZPNAXSA-N 482.516 0.300 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799375765 NWGQMRDHKNXYQI-QHGJDBTRSA-N 476.574 0.666 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1800708893 VDBHIHYXBZVDSJ-YHDCXSKOSA-N 491.585 0.640 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1 1800800124 SIPRDNSUNAOXGQ-ZMMAXQRCSA-N 465.547 0.999 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](C)S)c2n1 1800987329 NRCTUMSHAQUQCV-GUIRCDHDSA-N 491.574 0.034 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806083008 KQKVOGXNDQASGO-ZSDVHRSUSA-N 495.540 0.870 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]2c2cccnc2)c(C#N)c1 1808180153 YDAYOSSPTURCGP-WZONZLPQSA-N 493.520 0.753 30 20 JCED C#CC(=O)N1CC[C@H](CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)[C@H]1c1cccnc1 1814262246 BTUHYVBZNMREJW-XMSQKQJNSA-N 469.542 0.800 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827398702 LMBLJYMRRQOBEN-QGZVFWFLSA-N 469.550 0.328 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCNC1=N)CC2 1828285094 VESKHICEPMCFCZ-HIFRSBDPSA-N 489.602 0.812 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1829352425 UVCXISHSRRUFOY-MHECFPHRSA-N 483.525 0.613 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cc1 1829631056 GDXSHXJNZNPTCB-QFIPXVFZSA-N 468.470 0.892 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Br)ccc1F)CCO2 1830177342 WNVPWACEZCQZJJ-LJQANCHMSA-N 469.263 0.746 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830460203 DVQGWANPWCJFFK-QHCPKHFHSA-N 473.599 0.431 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1831421280 HHEUFPLFFKLLQC-WZONZLPQSA-N 455.515 0.928 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CC1 1832110120 HSWCUNUULFEYLU-QHCPKHFHSA-N 494.589 0.755 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833024098 BPCDOYVMVSYQIU-XDHUDOTRSA-N 490.557 0.432 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)N4CCOCC4)CC3)CC2)cc1 1833107123 BYNGLKUVWOMILL-VWLOTQADSA-N 469.586 0.323 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc[n+]([O-])c4)CCO3)C2)c(O)n1 1833271210 PJJYFIXAJCMBID-DEOSSOPVSA-N 468.510 0.923 30 20 JCED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1833490599 RLELIDMDTIBMAZ-IBGZPJMESA-N 483.660 0.978 30 20 JCED N#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833833604 WAWOREOCFNLCSP-HNNXBMFYSA-N 456.547 0.868 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1835640846 WNRGQLAPSVRAFF-PMAPCBKXSA-N 484.594 0.276 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835640848 WNRGQLAPSVRAFF-YZZKKUAISA-N 484.594 0.276 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835681008 RKCYTRHUYMOMNW-DEOSSOPVSA-N 479.541 0.786 30 20 JCED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1836075310 MTDVIZLCBMBNPX-QFIPXVFZSA-N 455.471 0.328 30 20 JCED CC(C)Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n(C)n1 1836335343 ZISMIIWKSVGQIS-XMMPIXPASA-N 474.606 0.970 30 20 JCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)N1CCN(C)CC1 1836374366 XAWOJMUYNMGNME-FRZCXGKDSA-N 492.665 0.723 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn(-c3ccccc3)c3c1COC3)CCO2 1836390890 KNNVHXNNVBMGGG-HSZRJFAPSA-N 451.483 0.886 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1836473318 BFFXDNMGFGQMBQ-FDDCHVKYSA-N 467.563 0.522 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837146601 DVXUPLADHJALCN-XMMPIXPASA-N 457.527 0.983 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1837396741 LLOVHQHRYYLMPM-YADARESESA-N 471.558 0.989 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1837401202 VKNGACSKEWLHML-AVRDEDQJSA-N 463.487 0.944 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2)C(F)(F)F 1837502680 MGVWWHRSXGGAHX-QAPCUYQASA-N 466.409 0.056 30 20 JCED O=C(NCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)c1cccs1 1837525332 ULLWFHVDQLCIFC-VJIOCRDPSA-N 494.570 0.463 30 20 JCED Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837533310 OFSCINHVTXCHAN-HGRYLZBDSA-N 463.535 0.738 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837563216 LKTUQQZKUWQMQI-XMHVBLFMSA-N 459.503 0.312 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837701656 VIJLPPPRGNRVGS-OYHNWAKOSA-N 460.918 0.972 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837800020 OMNHFOKFWNEJAR-NRFANRHFSA-N 470.442 0.339 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)cc1 1837943553 NNUOEUSKFDUEFL-XMMPIXPASA-N 479.493 0.749 30 20 JCED Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)o1 1838005036 XKNUWTTUUJIMDP-DTXYYNOZSA-N 450.492 0.890 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1SC)CCO2 1838280120 FGZLFMRIBZFQRI-ICTHTSFCSA-N 460.556 0.732 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)c1 1838336365 DQZSSGNZMYBVJO-HSZRJFAPSA-N 452.467 0.584 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)nn1 1838830152 KYDJKZPRARUQOK-JOCHJYFZSA-N 460.535 0.227 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)CCO2)C1 1839037843 ZXKRHPWIXWNPBH-GQOCTPOGSA-N 475.517 0.498 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1839176289 GSLDRFYQGWZVAW-OFVILXPXSA-N 484.553 0.718 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839185023 LDQNNNULSLSTAU-MHECFPHRSA-N 487.509 0.093 30 20 JCED C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401056 ODAOKVTXNONGHH-XOBRGWDASA-N 479.331 0.525 30 20 JCED CC[S@@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839420882 KRETUCRJGSCQNR-JCOAXYOVSA-N 451.520 0.926 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c(Cl)c1 1839424819 DLUFSTMZCOJIMG-ZHRRBRCNSA-N 460.918 0.808 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn4c2OCCC4)CCO3)cc1 1839516373 OEDXSEKSDTVZHU-XMMPIXPASA-N 465.510 0.850 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1839654976 WYMUGFNLICBMHQ-JOCHJYFZSA-N 475.571 0.121 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1840060622 ZNOLMFNOOZFVDD-FVJVTNMWSA-N 497.589 0.404 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1840108343 RGJYOAQVSSKENZ-IXFSTUDKSA-N 492.577 0.765 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840163994 VQYQFVPHQMJZOT-SBUREZEXSA-N 479.599 0.866 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C4CCN(C(C)=O)CC4)CC3)C2)C1 1840173808 SBACKFIBOJCNAJ-VWLOTQADSA-N 476.618 0.742 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C(=O)OC)cc3)CCO2)C1 1840278095 SVWWAXNROVAVSI-HOYKHHGWSA-N 458.511 0.510 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840289889 QBMRSQAIDOTDID-GGUMNFRJSA-N 493.557 0.407 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1840294837 OCCVQPWVQXYEIL-XMMPIXPASA-N 457.575 0.982 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)no1 1840819272 ARULEEOKTCGKMF-XMMPIXPASA-N 497.508 0.719 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819993 SEDVOUKTFRTJPS-MBSDFSHPSA-N 468.514 0.321 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(COC)CC3)C2)C1 1840906961 MZBXHFABBOWONX-KOSHJBKYSA-N 479.574 0.786 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)no3)C2)C1 1840907046 OBLJKUFXRBCYED-SBUREZEXSA-N 476.530 0.970 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cnncc2C(=O)O)C1 1844460433 KNRGQKLYADOKCP-INIZCTEOSA-N 457.487 0.908 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1844739287 NSQWJZBDKMKYDW-UHFFFAOYSA-N 453.503 0.777 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)CN2CC(=O)NC2=O)C3)CC1 1845136945 NZILQUNITIKEPS-UHFFFAOYSA-N 488.545 0.282 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C 1847262165 OLJGVIJAJWNTHI-FUYDUDRRSA-N 478.546 0.503 30 20 JCED COc1ccc(CCn2c(=C(C#N)C(=O)NC[C@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)cc1 501995463 UBKNDCAGBKQPSI-HXUWFJFHSA-N 493.589 0.693 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1F 514475098 LPUFIKWSMBFWEU-UHFFFAOYSA-N 479.537 0.385 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 523236557 UNXXQTNFDFXIPS-LJQANCHMSA-N 479.603 0.491 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)cc(OC)c1OC 589158797 ACXUEVAXXRNIJR-UHFFFAOYSA-N 497.504 0.946 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 603792812 FJMTUXSPPDDTAD-UHFFFAOYSA-N 498.605 0.789 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(-c3ccc(OC)nc3)c2=O)cs1 608884555 WDMPATZLJAHODD-UHFFFAOYSA-N 485.591 0.977 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2-c2ccc(OC)nc2)CC1 608884588 OEKYFBXWMPWFOH-UHFFFAOYSA-N 475.574 0.970 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)CC1 728572697 ATLAANBDUSWGPP-UHFFFAOYSA-N 489.642 0.865 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)ccc1F 729417055 HLJYDISDNKTBOB-UHFFFAOYSA-N 484.531 0.567 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CN1C(=O)NC2(CCCC2)C1=O 744991213 YSJNQVTWEJMSKE-UHFFFAOYSA-N 481.465 0.774 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC(F)F)c3)c(=O)n2CCOC)CC1 747080161 KJYQZQIMTADPFD-UHFFFAOYSA-N 492.548 0.825 30 20 JCED COc1cc2c(cc1OC)CN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 749006558 WBAFHOMJZZWPFA-UHFFFAOYSA-N 473.507 0.982 30 20 JCED C=CCOc1ccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1OC 805754172 XMAJLHPNCKBHHM-QGZVFWFLSA-N 452.529 0.748 30 20 JCED COc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 837040913 IVEQOHCVYQGMFQ-GOEBONIOSA-N 473.573 0.544 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 918296595 CNBJZQDKNWICKT-SMKFHGBISA-N 491.570 0.288 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CCN3CCCC3)CC2)cc1 918305914 UOXZUDWENVSKHJ-DAFNUICNSA-N 490.630 0.678 30 20 JCED C#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 919960089 XNAMMVFLPFSAMB-UHFFFAOYSA-N 463.537 0.871 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC=C 920394952 XXHPAVLYBCNISA-UHFFFAOYSA-N 454.464 0.580 30 20 JCED CCN(C)C(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1313558439 RHUJKGSNLCFROD-NRFANRHFSA-N 466.590 0.850 30 20 JCED CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1502199567 OAYOHWDVXKLPFC-LPHOPBHVSA-N 455.560 0.537 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1=O 1519225430 SEOCCEVMYHAWRW-UHFFFAOYSA-N 455.519 0.548 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1541988185 NLZXJJJINAVZHC-IBGZPJMESA-N 450.565 0.584 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CCO1 1554452529 YQKZUDFODREOAV-FQEVSTJZSA-N 477.525 0.735 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1555194470 OMGLYFWVWXDOHO-NEYJZJCJSA-N 482.607 0.793 30 20 JCED C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCOCC1 1611510973 IQUWBBCOPPXMGG-QGZVFWFLSA-N 459.576 0.619 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1631790526 OPAAFNVQNBXEIJ-HOCLYGCPSA-N 456.590 0.538 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1698312542 YXBNOQZMRNQAIW-HXUWFJFHSA-N 473.603 0.745 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1710348299 XNSKXEULDKGDFO-NQIIRXRSSA-N 459.576 0.401 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1768298447 VAGOTFIELMOVPK-UHFFFAOYSA-N 467.559 0.873 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778054259 XLPFKYINIZUVOO-WNSKOXEYSA-N 466.498 0.605 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(C)(C)n2nc(C)ccc2=O)C1 1779505634 MDYAZJMRFRHAPJ-XLNZFTOWSA-N 458.559 0.839 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cc2cn4c(nc2=O)SCC4)C3)c1 1780181123 RYNODJFIOHQIKT-WZONZLPQSA-N 482.566 0.919 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337621 GPUADKQCNRPNBU-QSAZIKIQSA-N 473.530 0.700 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c(C#N)c1 1780689444 ZYNOOSXNRMPWRW-XLNZFTOWSA-N 483.525 0.221 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4CNC(=O)O4)CCO3)C2)CC1 1781168747 ZISDTPRJOMWIHY-QMHKHESXSA-N 491.545 0.466 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C4)c2c1 1781204472 BBLNXGBQEXUJCD-PRCFCKQXSA-N 467.530 0.155 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1781391666 UJAPHHHUNVDTLB-KOSHJBKYSA-N 486.573 0.652 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(CCO)CCO)C2)c(O)n1 1781835266 YQVFFRVUHWDNQK-PXDATVDWSA-N 490.601 0.320 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1783682458 NJNLUENJMDDOFK-DEOSSOPVSA-N 475.542 0.698 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1783770772 DDPQGZXLVNOHTR-ZGNKEGEESA-N 483.562 0.902 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783835515 HYGFTXVNDZZAQJ-AVYPCKFXSA-N 493.648 0.463 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1783862976 VJTAQLNVMRGTFA-UNNAKYGESA-N 470.592 0.542 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2)c1ccc(O)cc1 1784020855 BNYDRLROVKJKHC-JLRUASKGSA-N 471.554 0.870 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1784479507 DSLVZVRCFXGJGY-HLXURNFRSA-N 479.574 0.375 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1785596758 XCWUWTYNAWTHOF-GCRLEYHISA-N 476.574 0.907 30 20 JCED C[C@H]1CC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CN1C(=O)OC(C)(C)C 1785726299 WYYHOZBHKPGOTM-MFEFFIJZSA-N 463.531 0.940 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787506033 YQFGAALTZRPEBX-OWSLCNJRSA-N 458.581 0.193 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601587 NYFOAPLVFGPUHV-MVBLRNEESA-N 481.594 0.323 30 20 JCED CCOc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)nn1 1789396880 OSNBIGCTJBTTGC-DPRAIYEESA-N 461.519 0.998 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789509143 FQJWJNPJHPOJFT-TUFLPTIASA-N 457.483 0.646 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1789913577 KIHCDLDRCMLMQD-KGWSWXIGSA-N 498.580 0.973 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Br)c(O)c3)[C@H]2C1 1790099673 SHNDIBLFLROLKF-XEZPLFJOSA-N 451.273 0.836 30 20 JCED CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2C1)C(=O)C(=O)O 1790231258 LIVFXQDZSUPDSR-QRTARXTBSA-N 462.890 0.348 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccnn3)C[C@@H]21 1792257317 SVENLHCSTYFLNM-FKSLSLAPSA-N 474.562 0.735 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792423088 VHDDTJOPHZKCMU-XAPVIXHLSA-N 486.569 0.966 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)cc1 1792425518 CRJCTLUSAGCKET-BBIADKPPSA-N 479.493 0.851 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 1792484136 BDKFMAYPEUKZST-IBRLJDPESA-N 468.489 0.468 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C2 1792490879 RPQCJHSQHKUHRQ-VLTQWEFMSA-N 471.514 0.722 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(Cc3ccccn3)CC1)C2 1793340224 BHNXHBFISJBJDH-WRHDZBKDSA-N 454.571 0.922 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)NCC(C)C)C2 1793597753 WILNQYHPSOPFOH-MHORFTMASA-N 466.579 0.818 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)OC)CC1)C2 1793599933 LDVGPYOFOAYPCX-YYIAUSFCSA-N 465.547 0.999 30 20 JCED Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C3)cc1O 1794326896 ILRPBNUXVVTERU-DLTLXFJOSA-N 497.618 0.931 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1OCC1CC1 1794447412 QUAFFZKAWXTJPC-SWFHQTGMSA-N 454.527 0.932 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N 1796047935 FYAIUPIIGAMSDN-YVSFHVDLSA-N 478.594 0.675 30 20 JCED O=C1CCc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)nc2N1 1796105439 MBTQRNVRJXSTJC-GQKLUMADSA-N 454.531 0.641 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)c1 1796436851 HQRUYZBREFKZPN-RMFSNUHRSA-N 476.555 0.196 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)c1 1797740012 OQOWHVSIFWOSBB-LYSWYGNBSA-N 462.572 0.765 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)C=C 1797949681 XKQBZEOJKYURIO-NRUGXNMXSA-N 462.547 0.183 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1799349922 HVYXISGYQQWZPN-BQJWPVKWSA-N 459.609 0.806 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1nc2ccc(F)cn2n1 1800133374 KYKPDXCZMVMWRB-CWPLJXCYSA-N 455.490 0.770 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC)C2 1800454882 NJMQAVNGWYCOSC-FSNPWBFUSA-N 463.531 0.255 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1800741269 TWNLRFAQBWUZBT-FVSFCRNKSA-N 461.515 0.311 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1802125390 WDNIVMXMVZSSHF-IIZPIQPGSA-N 491.633 0.130 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1802139712 DWEPPGWDUUPDIX-AGYLXNLDSA-N 476.574 0.668 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806700579 BGFORBPBZWNRJY-GOSISDBHSA-N 456.609 0.749 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807358086 VIJBJZOWTYUCHE-OGWOLHLISA-N 466.502 0.933 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812878618 KGWJFYFCMHDEHZ-BBTUJRGHSA-N 486.525 0.811 30 20 JCED C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[nH]n1 1815197453 QEGVNENMSKZAOT-BLLLJJGKSA-N 460.516 0.905 30 20 JCED Cn1ncc(Br)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1817915469 OIOQRJOCPZMMMR-MRVPVSSYSA-N 452.290 0.953 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@H]2NC(=O)NC2=O)CC3)c(C#N)c1 1822805930 XSJNALQEOOYLGG-XJKSGUPXSA-N 482.522 0.776 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1823018295 PQACIZZTPRLVCL-YPMHNXCESA-N 466.516 0.419 30 20 JCED O=C(CNCP(=O)(O)O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828971744 FHLCOMDNWZEGAW-YKBPCDFTSA-N 474.495 0.860 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=N)N)CCN3C(=O)OCc3ccccc3)C2)CCC1 1828972314 BERYAFHYAMFTOH-XMMPIXPASA-N 481.557 0.615 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829124297 OBAZHXUJNPIAHF-QHCPKHFHSA-N 453.499 0.891 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829124986 UEYNERBBCDZFKA-QRQCRPRQSA-N 473.555 0.633 30 20 JCED CO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334921 QDGNEHZBBLZOMZ-HXOBKFHXSA-N 457.483 0.561 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)COCCO)C2)C1 1829465956 FVRRIUDESQJVGS-DEOSSOPVSA-N 457.527 0.861 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829488494 HRSWRGDJYSLVGA-FQEVSTJZSA-N 451.432 0.767 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)cc1 1829898399 CFGXCIQRCOVRKZ-RUZDIDTESA-N 477.521 0.382 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOC[C@@]3(C1)CN(C(=O)C(C)(C)C#N)CCO3)C2 1830061732 UNXVCUSOXRIRRF-MZNJEOGPSA-N 487.557 0.628 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)c1 1830457665 CJKCUGBONVIVRG-HSZRJFAPSA-N 482.497 0.752 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/C(=O)NCc1ccccc1)CCO2 1830675156 MWTNIJXYLSTCEA-KIJNXJJSSA-N 496.564 0.174 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3C)C2)C1 1831388617 ZRYAMLOAQMRXOC-OPJGWUQDSA-N 455.555 0.538 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1831421082 DGSPFBQSLCBVNM-IERDGZPVSA-N 467.544 0.146 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)cn1 1831490376 BDPGUCSXKCMELD-DYESRHJHSA-N 451.545 0.893 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccc(OC)n1)CCO2 1832819682 OHYXEIPOCDBXGR-NECUJFQYSA-N 472.542 0.338 30 20 JCED CN(C)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1833364631 VSUHVABHONJXND-COQMUBBDSA-N 475.546 0.747 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833649873 ALEJQZZZJXRQHZ-PKZHZFTJSA-N 480.525 0.196 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833652177 DHXFLUXDEAGCEV-BEQIRNJDSA-N 498.540 0.866 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834311693 WBXIHGHAOOVEOU-MBSDFSHPSA-N 473.530 0.463 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H]4CCC(=O)N4)CC3)CC2)c(C#N)c1 1834526822 INEFDPZDDZZEKV-QFIPXVFZSA-N 467.570 0.960 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1835710523 QNSJSXAYERBNGN-SYXCRGJESA-N 460.579 0.978 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1836526663 HNQDNNWZAPEYAF-RRFNBQSRSA-N 495.536 0.094 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)cc1C#N 1836677554 FLLBAKFMHSVVPB-AREMUKBSSA-N 499.612 0.663 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836971539 WVKGZBBAPYFGLN-JPHKLTHBSA-N 477.518 0.265 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837564264 FAJHOAHEGKUNKM-CSOJOJLQSA-N 456.455 0.592 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837608306 CSMGEJYFFPXMAT-BVZFJXPGSA-N 492.536 0.431 30 20 JCED COCCOCCOCCOCC(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1837792663 XZYICCOTRBESNG-UHFFFAOYSA-N 481.590 0.985 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1838386464 NQVNOBOEZGXTOY-UXHICEINSA-N 453.580 0.709 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])CCO2)C1 1838600821 CVXMIVHRXVNQEP-NYHFZMIOSA-N 477.470 0.417 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838764977 AUMAYHNSMXUAME-XIKOKIGWSA-N 461.441 0.467 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908148 KJNQEQKNJCEEIE-BVZFJXPGSA-N 477.521 0.842 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1839044450 GSFXQJVWLLDNTI-JOCHJYFZSA-N 460.556 0.151 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn(C)nc4C)C3)C2)c(C#N)c1 1839131575 LPUFDNMDMPRSHY-DEOSSOPVSA-N 467.526 0.922 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)c1ccc(O)cc1 1839165557 OHCSQCGFQOKNIG-VAXXYWNWSA-N 457.527 0.480 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187191 OULONXRZOCZVFK-HJPURHCSSA-N 475.521 0.404 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)c3n[nH]cc3c1)CCO2 1839509722 ZZOULGIZSAQTCZ-UUMVVRSSSA-N 467.526 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccc(C)c13)CCO2 1839610158 YHXKTFWUTVYISV-WNWNSBFKSA-N 467.526 0.571 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1839621293 NXFPGNIDKIPVMS-DEOSSOPVSA-N 475.590 0.771 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839666145 SFFSRHCPRZHXHT-YZZKKUAISA-N 460.531 0.247 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1ccnn1 1839712663 ITLXWFNUSZXORL-VGSWGCGISA-N 454.487 0.246 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1Cl 1839783643 LAFMGHSPWGUMFC-LAUBAEHRSA-N 481.958 0.859 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5n[nH]c6ccc(C#N)cc56)C4)C3)(C1)C2 1840006428 CECZPGOBWFRPPN-DDJHWDJXSA-N 493.520 0.848 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840008299 FIRISDWXZLQPLX-GOTSBHOMSA-N 497.520 0.270 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(O)cc1 1840044173 OTPAYHAMTKTRTP-YADARESESA-N 454.479 0.434 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840105591 GNQMSFNYTYKTDW-DEOSSOPVSA-N 461.559 0.154 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1840162392 WKMNDNUOMPBSIX-BTYIYWSLSA-N 452.529 0.224 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1840169039 GCWUSFOQGWTXID-DEOSSOPVSA-N 458.511 0.709 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCn1ccnc1C)CCO2 1840386260 OZOSRXFIQABZRB-KSEXMQBYSA-N 459.547 0.287 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840436670 UILHVGLYXYWPIM-OJIPKMRZSA-N 477.562 0.565 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840483548 SOYCXHCPTJGWMJ-DEOSSOPVSA-N 468.485 0.918 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CN(C)C2)CCO3)cc1C#N 1840573580 YRKYQUHTBOJULM-DEOSSOPVSA-N 456.543 0.977 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840649279 VCPONEQVOYLGFK-RUZDIDTESA-N 478.505 0.806 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNCP(=O)(O)O)C3)C2)c1 1840713308 KBQJQTZMHLLKJF-IERDGZPVSA-N 480.458 0.108 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1840818502 GPMSAOQOSIBNLD-XMMPIXPASA-N 466.494 0.867 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1840908870 JQSNRXFMWSPAFU-HXOBKFHXSA-N 491.545 0.294 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@H]1CCCCO1 1847511063 GVQZMLNMZCAJQE-UKMDMIADSA-N 454.524 0.603 30 20 JCED N#Cc1ccccc1OCC(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 18253059 GVULPHKOLDXELY-UHFFFAOYSA-N 473.507 0.818 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)cc2)c1=O 501778993 XWXWVTLLPNBFLX-UHFFFAOYSA-N 471.535 0.233 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc3c2OCCO3)c1=O 603985723 AXKRHJXIASBHBI-UHFFFAOYSA-N 455.536 0.913 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)cc2)c1=O 604270386 NWRRQAATWZEKGV-UHFFFAOYSA-N 460.943 0.013 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccc(OC)nc1 608884221 WAGGUDCXWPTRGC-UHFFFAOYSA-N 450.520 0.877 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1 642803489 NMYCURPMCGPDSA-GOSISDBHSA-N 452.577 0.905 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(-c3ccc(F)cc3)c2)c1=O 728557273 JHURYJDTZBNEEX-UHFFFAOYSA-N 453.499 0.663 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 728572918 GCLHCWPAHADOGU-UHFFFAOYSA-N 475.615 0.557 30 20 JCED COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)c1 774906813 YNPDOIZJTBCCLY-OAQYLSRUSA-N 471.495 0.622 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1cccc(NC(C)=O)c1 913151417 IMHXXSWUJJSKNU-UHFFFAOYSA-N 494.577 0.473 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286535540 ISZYJHQGTOTUTG-GHMZBOCLSA-N 458.404 0.666 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359150969 JQOCOVIJICGKSC-KFWWJZLASA-N 458.972 0.611 30 20 JCED CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)S(C)(=O)=O 1515707037 OWKPMEYOWFMKLP-UHFFFAOYSA-N 466.589 0.723 30 20 JCED CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNS(=O)(=O)CC 1613315040 OQFDWAJIMFONMP-HNNXBMFYSA-N 463.612 0.971 30 20 JCED C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690344142 MDWRZFHLJYFRTN-CQSZACIVSA-N 450.931 0.739 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1=O 1722871286 ZQIANTAUADEFLF-DLBZAZTESA-N 467.596 0.609 30 20 JCED CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCN1CCOC 1727801909 LHBSGVRWIOEBPG-NFBKMPQASA-N 488.614 0.913 30 20 JCED C[S@](=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CC1 1750220296 WJJAXEUBCMEBMQ-JTBPQFFMSA-N 470.621 0.652 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1765650376 WWMMXTJSEHSYPM-HXUWFJFHSA-N 496.616 0.708 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1771361859 RNSBLCRYORIJKK-UHFFFAOYSA-N 494.599 0.388 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778020910 WFGRBINDNVOMRL-WZONZLPQSA-N 467.482 0.966 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2Cl)CCO3)CC1 1778356463 KDIQOKDSEYZQSJ-HSZRJFAPSA-N 473.961 0.819 30 20 JCED CN1CCN(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@@H]3CCCCO3)C2)CC1 1779420931 AGRRBYAJGXTVRF-JNFICQTOSA-N 479.622 0.667 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780173296 GDMFZZXQNDUQCK-PMAPCBKXSA-N 475.546 0.899 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780173297 GDMFZZXQNDUQCK-YZZKKUAISA-N 475.546 0.899 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1780903620 INZYHLDUUGLFCQ-WBCAZHLISA-N 472.517 0.691 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@@H]3CCC(=O)N3)C4)c2c1 1781204697 LUEUTOBSJDDROM-YZZKKUAISA-N 450.499 0.841 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781252704 SVBJHCLRGZDKGI-HYFFOGBASA-N 452.552 0.810 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)N1CCN(C)CC1 1781299256 KHDCJZZOQTVBGJ-MHECFPHRSA-N 457.550 0.706 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1781380889 ZBWINVBUMCNMEL-QHCPKHFHSA-N 452.548 0.316 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4cc(C(F)(F)F)ccn34)C2)C1 1782545656 XMTJBULWRAAHNP-LJQANCHMSA-N 450.373 0.885 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2 1783270237 VOYCRICOICTBNK-PMAPCBKXSA-N 474.562 0.709 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c(C)cc(C)nc34)C[C@@H]21 1783530783 DMLNBCBGZKEOSE-HYGDWFSYSA-N 466.542 0.798 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783565387 SIZHRIGYYJAQRU-SBUREZEXSA-N 463.531 0.942 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783582685 FTDOQZLPXVDWPC-GCHFZTJISA-N 473.570 0.989 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]cc3I)CCO2)C1 1783894882 ZXYYQXYUXUVQFT-OTYXRUKQSA-N 450.302 0.776 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c(O)n1 1784112976 HBCXTPQGGYVRFB-HSZRJFAPSA-N 454.483 0.274 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1785032530 MTULTQOJKVKUDS-JBACZVJFSA-N 494.013 0.402 30 20 JCED Cc1cccc(C)c1N1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC1=O 1785070502 QKVGLSNJPZPUQY-MUGJNUQGSA-N 467.522 0.724 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)cc1C#N 1785195805 DVYDZPVRVRLYHX-FDDCHVKYSA-N 457.531 0.382 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)NC(=O)OC(C)(C)C 1785301480 BGDPHUPNDYTGGS-WCJKSRRJSA-N 466.535 0.784 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCO2)NC(=O)OC(C)(C)C 1785305279 YJMCCWCZGGDWHS-KKSFZXQISA-N 463.539 0.363 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC#N)[C@H]4C3)c2n1 1786705752 AAPQUJLDRSSTIJ-JYJNAYRXSA-N 498.544 0.410 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CS(C)(=O)=O)nc3)[C@H]2C1 1787249035 XVNIARHTHFRTDQ-LQJIQPLVSA-N 465.572 0.811 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(O)nc4O)C[C@@H]32)c(C#N)c1 1789842118 XUTPDHZDQOPELQ-JVPBZIDWSA-N 467.482 0.604 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1789928641 QVMIPXSPJCXSTG-MXZXMXBTSA-N 492.573 0.954 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C[C@@H]21 1792172012 HTUVGPUABBGBGC-OMZCGLGVSA-N 463.575 0.997 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)[C@H]2C1 1792222915 CSWPPFDVTSSGJQ-DWRORGKVSA-N 465.547 0.836 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792628164 CLHWJKGGTZAHEZ-SFNKJDCFSA-N 481.594 0.707 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792836712 VPVJRFKAZWDSEW-FCQWJQKHSA-N 481.940 0.890 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793431981 FFNOFMUKJLIXII-QKYBYQKWSA-N 486.569 0.959 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2 1793598988 KGMQQQLMRFEZOX-FSDCSDTHSA-N 461.519 0.855 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1796301347 XIAXJSCSPBZNJF-QXGSTGNESA-N 498.540 0.523 30 20 JCED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)C(=O)c1ccccc1 1797810251 NBROARGPMMSTCB-OWUIPSQVSA-N 472.542 0.877 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2)c1ccccc1 1797874466 YZHHMXUDYUDVAF-TWHPPBISSA-N 452.511 0.371 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)NC=O)C2 1798357910 HZWZNEVVMWZLIC-UYTYNIKBSA-N 495.577 0.565 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C(=O)O)ncn2)C3)c(C#N)c1 1799238934 OSADGEPRMUNONI-VPTLXERWSA-N 465.466 0.501 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOCCOC 1799384446 SISYLBNTWWIMMD-RUMRUAAYSA-N 486.606 0.645 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1799681900 HOFQRQCGRRJRRZ-VBDLGBCBSA-N 450.492 0.131 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnn5ccncc35)C4)c2c1 1799882341 JJVLDMMLUJEPIN-YVWYUNDQSA-N 456.466 0.994 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)[C@H]2OCC[C@H]21 1801974434 VLTMTJFFKWLIIA-JLEGEJIRSA-N 461.515 0.737 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986406 BMLQPSWUUNNABI-BJWYYQGGSA-N 467.519 0.271 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCCNC3=O)[C@@H]1c1cccnc1 1803549525 ZMLMAWZTQQQPQY-PLMTUMEDSA-N 464.526 0.770 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1809669750 CUCXOQULPXSIBZ-XUZZJYLKSA-N 485.585 0.761 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CC[C@H](N)C(N)=O)C2)CC1 1809826351 STXAIHGTACOQBV-ROUUACIJSA-N 477.606 0.727 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3n(n2)CCNC3=O)n[nH]1 1816623901 FZIFTKLSNMCOIF-INIZCTEOSA-N 467.534 0.937 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cc3cn4c(nc3=O)SCC4)sc2C1 1822479574 YGUHBDLBBUXICY-GXTWGEPZSA-N 473.580 0.999 30 20 JCED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1823081964 ODPZJJOSTQTATQ-UWVGGRQHSA-N 459.492 0.296 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1828033907 NNQGZVSBCDCEGW-CQSZACIVSA-N 465.491 0.931 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)CN)C2)C1 1828494339 IEARFIZFDFMHMB-OOFGCHQKSA-N 497.596 0.892 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCN2C(=O)OCc2ccccc2)C1 1829023392 OXXLNYPYBLAPOK-NLFFAJNJSA-N 494.552 0.769 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1nccn1)CCN2C(=O)OCc1ccccc1 1829231247 AFRADATUHZQLTR-QFIPXVFZSA-N 451.487 0.644 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1829691865 OJPHAJKHOBHJIS-RNHFSVANSA-N 493.601 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1829766433 YRKQMRUIRAZMSS-KWQGRVAKSA-N 495.536 0.094 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1830053261 JPWKHJZSHQSQEW-HXUWFJFHSA-N 450.517 0.105 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1831387748 KAMMDRSKZGEOGJ-SIBVEZHUSA-N 497.548 0.096 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CSCSC3)C2)C1 1831396311 JCGNTOKPBIPLJP-HLIPFELVSA-N 457.618 0.524 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831396376 DNMNHTRNQHFJIL-KOSHJBKYSA-N 455.511 0.604 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832677267 UZIWPNFKIFZXGP-BTCHJHNJSA-N 462.503 0.446 30 20 JCED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1833509432 JZSREUILMRPCGE-JOCHJYFZSA-N 455.446 0.880 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834251776 XWCPIGAPXFXHKY-UZUQRXQVSA-N 475.546 0.407 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836042051 LYHBSLRLWSLCSZ-BMECOTGMSA-N 452.533 0.671 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](C)S)C4)C3)ccc12 1836256157 CIFFSNRFCJWICN-IVZQSRNASA-N 476.555 0.899 30 20 JCED CN(C)c1cncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837488814 SSNLXPHPULFSRC-VWLOTQADSA-N 470.570 0.916 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837524237 CXPQOQNJMAYNFR-HEXBWUFUSA-N 489.529 0.639 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1837525034 RSKSAUOYYKKQLG-UCYCTBOASA-N 498.540 0.866 30 20 JCED Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527700 TUTSXYVEKOPEFU-WDEJNSOPSA-N 451.480 0.164 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837822880 PFKAIDOJRIABCZ-QHCPKHFHSA-N 452.467 0.808 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c1 1837949165 LVKGIGIXHMWDDX-JOCHJYFZSA-N 469.429 0.569 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838091956 UMIICRQFABUYGU-GOSISDBHSA-N 481.546 0.613 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)CCO2)C1 1839084300 WUYWBYHVNPAHBY-CROMWVBPSA-N 464.563 0.645 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839106403 FURQJQXBTXLZOU-QHCPKHFHSA-N 464.607 0.206 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cc5ccc(F)c(C#N)c5)C4)C3)CC2)CC1 1839107421 JLKYNGLJIPPMOF-RUZDIDTESA-N 499.587 0.476 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839174097 FWNMJAPEQOTABL-QHCPKHFHSA-N 476.530 0.100 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476589 XTUPQICGEUANEK-OAQYLSRUSA-N 467.519 0.849 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)CC3(F)F)C2)C1 1839809782 LEEFBTOLMDHYCZ-KKSFZXQISA-N 471.501 0.968 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840019093 QNRJTGWKTHDOLY-IZZLDSCCSA-N 469.604 0.874 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)cnc2s1 1840160761 RIWLQSGZRAMEPV-YJYMSZOUSA-N 452.558 0.453 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840164779 GURVUTKMTBPVNG-VGSWGCGISA-N 453.536 0.132 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c(O)n1 1840191489 ARBUSCYQDYEDFV-JOCHJYFZSA-N 479.555 0.794 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n1 1840813445 ADNHIMOIDWUMDX-NRFANRHFSA-N 459.459 0.762 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840900896 UXMLSHGORDMPFL-DFBJGRDBSA-N 485.585 0.543 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1840913152 ZWWHVTNBOKYMQI-UZFJHSOTSA-N 490.561 0.355 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@@H]2NC(=O)NC2=O)N(C(=O)OC(C)(C)C)C1 1848131323 VOBAYJIGNBETTQ-VGWMRTNUSA-N 461.519 0.352 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NC[C@@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)cc1F 502043940 BHRIGLRRDQFMTF-KRWDZBQOSA-N 467.526 0.878 30 20 JCED CCN1CCN([C@@H]2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)CC1 503593629 BBMUKQLEXJIHNQ-OAQYLSRUSA-N 474.631 0.103 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(C(N)=O)cc3)c2=O)s1 518704491 ORRMYCDVVVRKSM-UHFFFAOYSA-N 482.587 0.887 30 20 JCED COCCN(C(=O)CCC(=O)N[C@@]1(C#N)CCSC1)c1c(O)nc(=O)n(CC(C)C)c1N 603883375 OMYDUEQDNAPLDS-HXUWFJFHSA-N 466.564 0.462 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCNS(C)(=O)=O 608912142 GBHUCKPJUHLBQH-UHFFFAOYSA-N 475.017 0.203 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)N2CCN(CC)CC2)cc1 643006123 FFZCKIRSMJZVLC-KRWDZBQOSA-N 451.593 0.574 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)c1 725737715 QDISQEQARJBUMZ-UHFFFAOYSA-N 452.496 0.758 30 20 JCED CCN(CCC#N)C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 728718110 BLAGTQCAQJYMSQ-AWEZNQCLSA-N 462.322 0.394 30 20 JCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1cc(S(N)(=O)=O)cn1C 792707298 ORTBOZPRNICLEI-UHFFFAOYSA-N 451.505 0.795 30 20 JCED COC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 864037735 TVKVXSQENOFPBI-UHFFFAOYSA-N 491.547 0.652 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 887556510 XDEDMKOXSURLFY-INIZCTEOSA-N 480.543 0.243 30 20 JCED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N[C@]1(C)CCS(=O)(=O)C1 913173824 QAJGQNVWCODPTK-PKOBYXMFSA-N 471.557 0.098 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 917034743 WZJWJDQRMIJCAZ-NVXWUHKLSA-N 460.512 0.228 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)o1 920635266 FOJOVYLGEBFTIN-UHFFFAOYSA-N 463.472 0.437 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CC1 1503377139 MFBVERWWRMVCEK-JOCHJYFZSA-N 480.617 0.874 30 20 JCED COc1ccncc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1504461698 YNFUGPJTYSFGEY-QFBILLFUSA-N 465.511 0.505 30 20 JCED COCCN1C[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 1504898709 WDZBFHWMOPFSEN-IBGZPJMESA-N 495.588 0.504 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CCn4cncn4)CC3)CC2)cc1 1544542875 OBRPLBKEJDYHPA-UHFFFAOYSA-N 457.560 0.395 30 20 JCED CCN(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C1CC1 1547578732 GEZVNGQDMHXQLD-CRAIPNDOSA-N 450.613 0.549 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1554498158 NGMGYCJPEYQQRX-UHFFFAOYSA-N 452.519 0.716 30 20 JCED CCOC1CC(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)(N2CCOCC2)C1 1618505932 MTCZBDGUHLWBLM-SRWJYRBRSA-N 450.561 0.611 30 20 JCED CN1CCN(C(=O)Cc2ccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc2)CC1 1648482541 MGHGIHLBRSWWCB-UHFFFAOYSA-N 455.540 0.792 30 20 JCED Cn1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1C(=O)NCC(F)(F)F 1661952207 VAZLXKJXSNSHIK-UHFFFAOYSA-N 451.471 0.554 30 20 JCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1662730248 IVBCZBMZCWFFJP-WMZOPIPTSA-N 451.597 0.568 30 20 JCED C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(C)(=O)=O 1692662234 PSDWDPQIGXOWMI-CQSZACIVSA-N 454.578 0.978 30 20 JCED CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(=O)NCC(F)F 1696331984 XRFKTNZFYINZJM-UHFFFAOYSA-N 451.482 0.436 30 20 JCED CO[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1697650254 MNVBULKBHNYXCI-OAFZBRQQSA-N 456.544 0.868 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1706891442 VAGLKVMIYQHOID-APWZRJJASA-N 487.586 0.788 30 20 JCED CCN(CCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)S(C)(=O)=O 1710142322 GLDSTKFZGNPCMN-FUHWJXTLSA-N 451.597 0.630 30 20 JCED CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1710918394 RJNPQSXPLUNESI-KNTRGWTASA-N 459.580 0.238 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1741133784 ULCZTHKVXWQGPR-QAPCUYQASA-N 462.580 0.716 30 20 JCED CC(C)NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1741701509 MCUNIPRXWRYBLF-FQEVSTJZSA-N 485.614 0.899 30 20 JCED CC[S@@](=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1768312364 XKGIWACZJLRJBK-XHDOVSQSSA-N 466.589 0.693 30 20 JCED COC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1769232715 VPQCECZGZBSEFS-DOTOQJQBSA-N 495.581 0.887 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778166916 LEWTZOORYIAKGT-NTKDMRAZSA-N 456.543 0.743 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)NC(=O)OCC)C3)C2)c(O)n1 1778779917 DRXLIYAEHFPYRU-XMSQKQJNSA-N 462.503 0.414 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)C1=O 1779135789 GIJBYSNJEXJFQW-AVWDHSPOSA-N 450.451 0.977 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779205628 FXWDTUWGKHUFAL-HOYKHHGWSA-N 485.541 0.767 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(C)(C)O 1780339228 TXKBRLDBILJUQW-HXOBKFHXSA-N 475.546 0.994 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)[C@@H]1SC(=N)NC1=O 1781298702 PVFFMOHEDCVLPZ-VNMLXUOPSA-N 473.530 0.872 30 20 JCED C=CC[C@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2)NC(=O)OC(C)(C)C 1783095234 DXYVBGISPWPWGO-SEPYTNNBSA-N 480.610 0.843 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783506597 XRPRIVJXYAVURY-GMWOSMDTSA-N 461.515 0.551 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC(C)=O)[C@H]2C1 1783584045 UOLQBWJEGZGDIW-HVTWWXFQSA-N 478.590 0.797 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)CCO2 1783901347 XZFWILVOYYJHSH-YRAONVGVSA-N 477.583 0.907 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783931815 LKAVTHYMJSCEAO-ZGNKEGEESA-N 483.562 0.902 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789769671 GWAIOGPUGBLQKW-RMMWZPCPSA-N 461.559 0.877 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccc(O)nn4)[C@H]3C2)cc1 1790588714 MIRSGSMVKOCILW-FHWLQOOXSA-N 451.483 0.655 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)N(C)C)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791378166 YDUMAGUMTGSYCT-VJANTYMQSA-N 493.605 0.803 30 20 JCED C[C@](O)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)C(F)(F)F 1793693233 NLVJJMGYANIPLG-RHQBZFHZSA-N 451.405 0.951 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793784496 QDXUADQQRWMWSV-HIRMHNASSA-N 477.562 0.654 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1793823604 HFJOIBRDKDDIHP-UNMKOGDSSA-N 469.604 0.867 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccnn2)CC1 1795893127 LUYPCHKAWQNYSM-IZZQQSIFSA-N 487.561 0.409 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796185740 KXKZDAIKLSWPNU-FZKCQIBNSA-N 483.529 0.586 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796402186 SCLTXCIZVHAVLT-LXTVHRRPSA-N 478.506 0.991 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2)[C@H]1SC(=N)NC1=O 1796421928 JLCXOYDNHMYHCE-CGMPVICWSA-N 455.540 0.493 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1797739001 OKJLNRSJGSAGPT-GYMKTPOBSA-N 497.600 0.083 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cnc2snnc2c1 1798506357 OFUPWYLNNVFMPV-QHITYQDRSA-N 460.516 0.819 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCN(C)CC2)C3)c1 1798574022 FHJREWQQKCNZKF-JHDGKUDLSA-N 455.559 0.408 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(N)=O)C2)C(C)(C)S 1802180790 OVRIUTWZOGIUOP-QVHKTLOISA-N 457.597 0.895 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1802496470 BPBYARFDIQSAGO-GLPQSPQZSA-N 487.607 0.806 30 20 JCED CS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1 1802775739 WPZGSEYVEHJIAA-UTKZUKDTSA-N 455.492 0.893 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1803565724 ZBXSXSKPYKUOOT-IDHHARJASA-N 451.487 0.723 30 20 JCED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1804173161 MPSVZLYPNSZWAF-RDTXWAMCSA-N 454.516 0.446 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807026360 SGKDJLMBRXOPCI-RYRKJORJSA-N 454.464 0.385 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1814035347 JWYREZBUSOGMQV-KPFFTGBYSA-N 455.515 0.949 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1814060554 SPNZWGQXDDUYRX-MBSDFSHPSA-N 476.493 0.590 30 20 JCED N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CC3)CC1 1814478886 BYUBMLCMZHCLQH-KWCYVHTRSA-N 488.595 0.539 30 20 JCED O=C(C#Cc1ccccc1)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816670512 UUZYOMPLENUYJA-CYBMUJFWSA-N 460.479 0.547 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816673568 CZIBPBARARKYJE-SNVBAGLBSA-N 472.487 0.004 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819901038 AZSSEMSLNXKHSO-NBZKTRLXSA-N 469.520 0.649 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)[nH]n1 1823386311 NSBNVAYFNCSSLF-WBVHZDCISA-N 453.503 0.945 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/O[C@H]2CCCCO2)CC1 1826823317 VKACGHIVILCILL-FSKQJUNYSA-N 451.568 0.728 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCN2C(=O)OCc1ccccc1 1828506275 ZPYFTDIHXPQCHP-YADARESESA-N 452.511 0.598 30 20 JCED C=C1CC(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=N)N)CCN3C(=O)OCc3ccccc3)C2)C1 1828969382 CNCUFBGFZSQYFJ-XMMPIXPASA-N 468.558 0.888 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)O)CCN2C(=O)OCc2ccccc2)C1 1829322516 PJZRVFVGXGGURX-IECBHUPTSA-N 457.527 0.858 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1829766446 ZQZVGZFHACBIBS-KSEXMQBYSA-N 453.499 0.263 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830051027 UIFCINBDFKANSD-HSZRJFAPSA-N 482.578 0.924 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221121 FEGVBXXBTYVGRK-VFOTVIGXSA-N 473.570 0.969 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1831397602 SZCOYAZAQBFOJP-SBUREZEXSA-N 453.499 0.580 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 1831399534 WGDSAPJOTBLGGS-SBUREZEXSA-N 475.498 0.641 30 20 JCED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)c1=O 1831881026 IFMMKEHJLCYQBN-DEOSSOPVSA-N 450.495 0.570 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1832000514 RGJYOAQVSSKENZ-STSQHVNTSA-N 492.577 0.765 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)CCO2 1832013987 OTEAKTAXPWXICY-JXQFQVJHSA-N 480.558 0.932 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1832329059 NWSDLARRIGVNAR-JOCHJYFZSA-N 478.622 0.046 30 20 JCED CC(C)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1832411974 GXKYXCKTNDOOOW-DEOSSOPVSA-N 463.623 0.845 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1833473955 SRTFGJIRKFEACA-MRXNPFEDSA-N 458.563 0.403 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nc1 1833600284 WNTKNPZPZARXQZ-NRFANRHFSA-N 473.511 0.069 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1833688545 YOKNDDGTSCYQHR-ALCCZGGFSA-N 458.563 0.025 30 20 JCED CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c1 1834767997 WQCSZIPJTXPTKS-LJQANCHMSA-N 455.920 0.727 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C[C@H]2OCC[C@H]21 1834769016 VMFMKWLEUCKEKK-LUCIHVKJSA-N 492.573 0.771 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCC)CCO2)C1 1834981472 NXFPLJUBFNOFKE-VGSWGCGISA-N 455.552 0.949 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1835677304 MGVIVOZFHDMBGE-NRFANRHFSA-N 462.576 0.767 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731697 ROAJDANNFCSSOQ-DIWDRYHZSA-N 494.637 0.873 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c1 1836124068 ASSTYOISVWWTTD-OAQYLSRUSA-N 470.574 0.345 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)[C@@H](C1CCOCC1)C(=O)N3)CCO2 1836783123 NXBNUPMRCJCWSI-RCZVLFRGSA-N 467.522 0.852 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1837077562 FWSBIAHZWXXGND-HNNXBMFYSA-N 451.524 0.338 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)cc1 1837246279 BSXVWPLHDKNOLM-IQMJAMCRSA-N 466.538 0.782 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837297647 XKFMZAFKJZXHSU-SNYIIPAISA-N 473.526 0.751 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1837394535 CKSPNMLZCJTVAE-OFVILXPXSA-N 488.585 0.561 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1837403172 IJWDXLXRETURFD-KOSHJBKYSA-N 470.526 0.979 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1837427237 NHHWKAPFNRMJJA-QFIPXVFZSA-N 465.623 0.946 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1837428777 DOZFGZXKTQWXII-HXUWFJFHSA-N 458.653 0.539 30 20 JCED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)c2n1 1837443396 IQIOKOUJXAFWQK-SKLAUCLBSA-N 483.573 0.888 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837443782 JGDOWVHJNXUDRE-QOOAHNBZSA-N 450.927 0.672 30 20 JCED CC1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1837486350 BZDXWHLUAURJDH-RUZDIDTESA-N 461.603 0.873 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1837529614 WPVQVZKBKGJPLL-IFXSCVBMSA-N 473.486 0.822 30 20 JCED Cc1nc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)o1 1837531656 SETQHAZLPUMEMT-DTXYYNOZSA-N 450.492 0.890 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1)c1ccccc1 1837612642 HSINQNMWIONTDK-BVAGGSTKSA-N 469.582 0.972 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCS(=O)(=O)c4ccccc4)C3)C2)c1 1838734569 CHONQRWMBRWQGC-HSZRJFAPSA-N 486.550 0.820 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(N5CCOCC5)n4)C3)C2)c1 1838736214 QYRGMZTWPUBRMG-DEOSSOPVSA-N 480.525 0.502 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839082649 OKPKNHTZRVPRSJ-YPCDYVTLSA-N 487.597 0.542 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839082763 PVXRIOQJVVBVHM-BQEOWNTHSA-N 475.590 0.316 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)N1CCN(C)CC1 1839102805 VIQUUQCHLMETNH-FKXJXIBSSA-N 490.626 0.579 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1839172528 UVTSZGADVCGLDU-FQEVSTJZSA-N 451.432 0.767 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1839186031 WLVOYSGRRYXTST-KDLAUNOPSA-N 496.605 0.827 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839351991 NQYXEABQGXEIPO-HSZRJFAPSA-N 459.499 0.365 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c([N+](=O)[O-])c1 1839462107 JQPYDHMJYAANFI-HSZRJFAPSA-N 497.464 0.965 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4ncccc34)CCO2)C1 1839541501 CTIVFGHODFOZRE-DEOSSOPVSA-N 466.542 0.982 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1839840507 GWAWIVSGJYLWIR-XOBRGWDASA-N 452.533 0.120 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1840163845 OZQNOUKOJCMLQN-BUXKBTBVSA-N 452.558 0.514 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251698 UMPIQCNEKBSHJU-NXMSCROESA-N 492.573 0.287 30 20 JCED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)C(=O)O 1840839012 KCMMNSNOMYYGJL-VRVLXJBKSA-N 453.455 0.535 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840946144 ZXSUGNSZTPUBLJ-OAQYLSRUSA-N 453.511 0.815 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C3)c2c1 1843130627 NPUOEKGFVFIPLY-UHFFFAOYSA-N 465.495 0.717 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196666 BCLVFTQAQAXWMT-OAHLLOKOSA-N 464.519 0.040 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(F)cc2)c1=O 501768877 DZCLSMXHEZRQQR-QGZVFWFLSA-N 473.526 0.800 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccccc2OC)c1=O 501773756 LJPPBDKGEZOTHT-QGZVFWFLSA-N 485.562 0.670 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccc(F)cc2)c1=O 589160224 CBCDVXMLGVDFEK-UHFFFAOYSA-N 471.535 0.984 30 20 JCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 726990962 XRBLTNBRROZCDE-UHFFFAOYSA-N 453.440 0.195 30 20 JCED CC(C)[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 727010057 KQXDCVOLQBQVNB-FQEVSTJZSA-N 450.499 0.995 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(Cl)c3)n(CCS(C)(=O)=O)c2=O)cn1 729671004 FQGPXVLAERRPII-UHFFFAOYSA-N 476.967 0.727 30 20 JCED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1=O 784817325 ZRONEOCNHVYZDO-OAQYLSRUSA-N 461.523 0.526 30 20 JCED C#Cc1cccc(NC(=O)CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 918237088 MVHLEJMUPXDJCZ-UHFFFAOYSA-N 470.555 0.453 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 918383825 ONAHGLBUJSHBDH-UHFFFAOYSA-N 479.559 0.688 30 20 JCED Cn1c(=O)c2c(ncn2CCC(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n(C)c1=O 918534449 MXLBDHDBCVSJRQ-UHFFFAOYSA-N 484.416 0.219 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 918806360 NVBDVVPPUWWSQK-SFHVURJKSA-N 478.571 0.851 30 20 JCED CC(=O)N1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1301771584 VUGYIOXKWLKRQJ-RXVVDRJESA-N 463.608 0.474 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1301809913 RLMNMXYPVCNSJP-JKSUJKDBSA-N 458.610 0.873 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1302469539 QSUJRPCBCQIGSM-SJLPKXTDSA-N 457.560 0.800 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359076679 JKYGMQRDDGGHET-KGLIPLIRSA-N 491.412 0.625 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 1442717893 MURZOPJTWKBLPD-OAHLLOKOSA-N 458.544 0.627 30 20 JCED CN(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1503385948 IRCHWZOGYJGBFV-IRXDYDNUSA-N 467.596 0.214 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CC1=O 1504900172 KLIOEJGMAJYTLG-KRWDZBQOSA-N 460.560 0.792 30 20 JCED Cn1ncc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)n1 1517427871 SJAFJEVDAYODFQ-UHFFFAOYSA-N 455.548 0.660 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1540549306 JIXUJQOPJNEUJW-OXQOHEQNSA-N 455.540 0.596 30 20 JCED CC(C)[C@@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(=O)N(C)Cc1nnc2n1CCC2 1617668508 YYPFVQKMXDOECH-PGRDOPGGSA-N 458.611 0.489 30 20 JCED Cc1nn(C)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1693400202 GLZWQEKXADOCPA-YOEHRIQHSA-N 461.596 0.464 30 20 JCED CC(C)C(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1723092267 XQEZKMQBRBIBIJ-INIZCTEOSA-N 467.596 0.513 30 20 JCED CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1729667563 NWPDFPCAABFDAM-KRWDZBQOSA-N 475.575 0.583 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN(C)S(=O)(=O)CC)CCOC1 1767482663 KUSUZPGKSBSPCQ-VQIMIIECSA-N 456.569 0.331 30 20 JCED CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1)S(C)(=O)=O 1768583866 YUZKVVPXECANJU-UHFFFAOYSA-N 466.589 0.722 30 20 JCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1770337484 ZYXHXUUXNSRRKY-UHFFFAOYSA-N 485.614 0.996 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1778080832 OWJIUNDIAOMEPG-HKARXFIJSA-N 464.563 0.984 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnncc1C(=O)O)C2 1779423432 NUVAEMDHZVAQEN-RQKQPHGBSA-N 475.502 0.831 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1779429439 UWJZDIWKORXFBS-PNUHJVQVSA-N 461.519 0.286 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779937376 MIINCHKWEUTCMY-BYIPXSDZSA-N 474.518 0.232 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060471 AKBLQMUMTYUEST-ROZQTZPBSA-N 470.486 0.062 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780061909 ZSXPSMBNSGJHKK-DEOSSOPVSA-N 465.510 0.232 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)ccc1F 1781301177 PUDXVSIQSPNXSO-JOCHJYFZSA-N 452.446 0.272 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015229 BRTFKYDCXPCFAI-YGKZAACZSA-N 463.531 0.988 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCOCCOCCOC)C1 1782064448 VECKSQCYMAGZJV-TXTKFYIRSA-N 454.564 0.608 30 20 JCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(S(C)(=O)=O)CC1)CCO2)C(F)(F)F 1783204728 CJUCSGAVUTYWQO-QGZVFWFLSA-N 453.483 0.606 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1784500115 DAFXDEOXDVKZKK-FKSLSLAPSA-N 469.579 0.833 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)CC1 1785349462 FLPBVIAYLUTEAL-DEOSSOPVSA-N 486.573 0.883 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cc(C)c(O)nc4=O)C3)C2)c(O)n1 1785351753 YPXNIDVMOBLELT-XMMPIXPASA-N 483.525 0.620 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nnc(Br)n4c3)[C@H]2C1 1787149341 GJIBMEAPYBHJIU-IHRRRGAJSA-N 476.287 0.173 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637427 JYKJHDFYHMTAQB-CGBFIWBNSA-N 479.574 0.508 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(F)cc3)C[C@@H]21 1791072891 HBKALQDPLSPTJY-LEAZDLGRSA-N 471.485 0.498 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791768796 WPNDPVAASYEKIO-FJIDUMEYSA-N 487.619 0.870 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261497 OZNFKQUERIUMIP-BMQTXXJKSA-N 477.558 0.836 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)C2 1793347922 PVRJIHNEYAKMED-BDEKUHOQSA-N 479.574 0.375 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)ccc1F 1794005076 IYCOVJXUTHGKTH-VPTLXERWSA-N 456.434 0.634 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794204880 DBZIQJWKDMZLTI-YIDVYQOGSA-N 463.535 0.692 30 20 JCED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)cc1 1795929809 HSIGAIUHEMFMJY-HGKCTWBKSA-N 469.523 0.421 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797538968 QUIPHEVYLNNAIN-XOIINTDNSA-N 453.499 0.306 30 20 JCED COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)c1OC 1797815224 LXXPITBUXOSBIA-WIHHOWHQSA-N 462.503 0.831 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc5ncnn5c3)C4)c2c1 1799884409 VUNFEWDRVWLDRE-CWPLJXCYSA-N 456.466 0.994 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)OC(C)(C)C 1800864495 HGKMYUJHRJSITR-XLMAVXFVSA-N 453.536 0.999 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1801994534 PRAFTZQILQZLPV-ZSBFGKGUSA-N 454.405 0.205 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2c2cccnc2)cc1 1804191442 BPEPQGDDPNCIBJ-RCZVLFRGSA-N 495.605 0.932 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)C1 1806003304 PXUKCPKFMVLXEE-GOSISDBHSA-N 453.605 0.928 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807354640 RHYNWEYJPUVEQA-AVRDEDQJSA-N 489.536 0.831 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1811720961 HULQGSSACGITKZ-MGPUTAFESA-N 487.455 0.852 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3ccc(C#N)cc23)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812392872 ZEWXBPUOCFKUHH-IIBYNOLFSA-N 489.492 0.692 30 20 JCED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1813039722 AETUCTUYHGEIKS-BJZZIADLSA-N 491.639 0.586 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1815770015 XGKCKRGOZJMSBE-NIWDLLCXSA-N 461.479 0.529 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828965443 YGYLDRADKUEZSC-CYFREDJKSA-N 458.559 0.970 30 20 JCED Cc1nccn1CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829335048 RZRICJBOGWFFIX-RUZDIDTESA-N 493.520 0.732 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)CC2=O)c1 1829637893 SFYIGVJGEKIBLQ-GAJHUEQPSA-N 456.499 0.418 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1829758657 MMBKFDVSLHDHGM-NRFANRHFSA-N 482.526 0.712 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)c(O)c3)CCO2)C1 1830247433 WBCAGSDOYYHYOV-XMMPIXPASA-N 476.526 0.909 30 20 JCED COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1831028642 BTFSYCYSMKXHQK-IBGZPJMESA-N 472.420 0.661 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1831388259 WHGKONXKZXZIKG-KOSHJBKYSA-N 465.510 0.647 30 20 JCED Cc1onc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1C 1831977206 CQWXEZDJUBSXPD-UWDDZFTESA-N 450.492 0.890 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833600194 SJKMEFYFTXLUOZ-XMSQKQJNSA-N 481.571 0.128 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715425 DJTVXIMFJJZQQQ-KRWDZBQOSA-N 469.652 0.521 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348311 VOJCJSZYLOTVPH-MWTRTKDXSA-N 476.530 0.673 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835396842 OHEBEMZVRGRPOR-QHCPKHFHSA-N 465.667 0.826 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1)c1ccccc1 1835539309 HPDZTYDFMGLMTC-OFNKIYASSA-N 493.497 0.365 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1835673929 BLBITWRSPDHEBK-XMMPIXPASA-N 484.557 0.318 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835682629 NYNAKHLDLKAOGJ-HSZRJFAPSA-N 460.579 0.628 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CC3)CC2)c1 1836171745 VQKPNHVMXVBFRY-UHFFFAOYSA-N 481.513 0.842 30 20 JCED COc1nccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1F 1836238052 RPRKOSSSJVJWOE-WUKOTQDVSA-N 463.510 0.771 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1837214854 YUQRJLWWUBQBHC-HFXUHXBXSA-N 474.514 0.448 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1837396566 JGYGCNLNEYFGMS-XMSQKQJNSA-N 462.503 0.941 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1837396906 OPBVUAYYQXZMGS-CPJSRVTESA-N 484.553 0.809 30 20 JCED NC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc1 1837493698 RNRDXZYUPDAKRP-VWLOTQADSA-N 469.538 0.554 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524488 BXFSUZYQNNWLJU-SGRCOUCXSA-N 498.577 0.885 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1837528195 AUTSZAHGGOOEOM-WWCXEQRYSA-N 450.467 0.820 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)n1 1837655961 ILGVWEZDZRAXQX-PGRDOPGGSA-N 466.604 0.698 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1837881940 XUEXABHODAQVCZ-DUYBAWCLSA-N 450.584 0.050 30 20 JCED CO[C@H](C)[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)N(C)C(=O)OC(C)(C)C 1839094316 KYBJHYXATYYLAV-TVTNDZMWSA-N 468.551 0.627 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)cco4)C3)C2)ccc1F 1839186247 IKTLFKASXPCXFB-HSZRJFAPSA-N 455.442 0.963 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n[nH]1 1839187475 FOQSMFQZHXQLRE-HSZRJFAPSA-N 455.490 0.971 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839274131 HGCHUBTUOGUIRJ-XMHVBLFMSA-N 475.502 0.842 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)[C@@H]1SC(=N)NC1=O 1839420359 DREHSFBKCYCICH-SRMJIJMDSA-N 489.529 0.570 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839517268 SGPXFZNMWJNSBM-JOCHJYFZSA-N 460.535 0.017 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839552653 LXSPPGZYJFKLDX-HSZRJFAPSA-N 456.499 0.914 30 20 JCED Cn1cc(-n2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c3ccccc32)cn1 1840042856 QYHYTAQZNTWXAQ-VWLOTQADSA-N 491.504 0.522 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219443 NZAZGZFZBSWLSP-ONGXBYRLSA-N 473.592 0.133 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251439 DFSULMHBASVFPJ-JLHGSKIFSA-N 453.536 0.389 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)COc2cccnn2)CCO3)cc1 1840406544 DCXSYSZUJDXCDV-XMMPIXPASA-N 465.510 0.816 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1cncn1 1840420592 ONOOVMZFQMEAGN-NYHFZMIOSA-N 464.486 0.357 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)nc5sccn45)C3)C2)CCC1 1840814464 LBYWKNDLNBKODO-OAQYLSRUSA-N 457.512 0.520 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c1=O 1840818787 XHDWTEHRAOGHDE-DEOSSOPVSA-N 466.494 0.406 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819991 SEDVOUKTFRTJPS-FDDCHVKYSA-N 468.514 0.321 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)CCO2 1840881798 OCTKJINEYZSPJK-ZVVFGRKBSA-N 479.574 0.784 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840901309 DUHDGRQNIOXZNZ-FOYIVJAYSA-N 485.585 0.733 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1840912791 RDRTUHFDAVPNOF-VQDLLJBESA-N 466.579 0.507 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1843325439 BBGNWAHZVFUJIA-OGJYGHNHSA-N 454.524 0.604 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COCCOC)C2 1846365612 GZRAVJGAYHNELC-KRWDZBQOSA-N 498.577 0.658 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(S(C)(=O)=O)c2)c1 16559099 LJJRHKDKNHXTEY-UHFFFAOYSA-N 450.494 0.797 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 502049231 ZPJDNUNJUUCQIK-UHFFFAOYSA-N 465.535 0.679 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C)c1C 502059349 WYJPRTLGZYARTE-UHFFFAOYSA-N 451.552 0.905 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 518560724 FOCJQFOIIGMSPP-UHFFFAOYSA-N 468.539 0.475 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2csc3ccccc23)c1=O 604270115 GIJWJWOELRMRIM-UHFFFAOYSA-N 452.561 0.994 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(=O)N(C)C 604270238 VMNPRZASFFYMRD-UHFFFAOYSA-N 472.567 0.052 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCCO2 619538684 RTQMGWBRSFYZLS-UHFFFAOYSA-N 464.503 0.331 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCN(CC)CC2)cc1 643006124 FFZCKIRSMJZVLC-QGZVFWFLSA-N 451.593 0.574 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@H]2CCCN(C(=O)OC)C2)C1=O 726404545 ZHPLSAZOJGFTCC-YGUNMCQPSA-N 497.599 0.501 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)CC1 728533936 BVTMKMXHMZLFIK-UHFFFAOYSA-N 483.388 0.397 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 729030761 FWDYRFCJHSKAJJ-UHFFFAOYSA-N 458.452 0.661 30 20 JCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(C(=O)NO)cc2)c1 746263616 JTPPQJJPUDMUAD-UHFFFAOYSA-N 462.528 0.882 30 20 JCED Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)n([C@H]2CCS(=O)(=O)C2)n1 799650620 IMOKIIGSDLYHGR-KKSFZXQISA-N 470.511 0.829 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc3cccnc23)c1=O 818201132 QKJJJBLGIATECB-UHFFFAOYSA-N 475.574 0.595 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 918383897 PSCWVXIYXSKWBJ-UHFFFAOYSA-N 479.559 0.311 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 1266191293 ZJNFQCTUTRETTQ-KRWDZBQOSA-N 454.556 0.930 30 20 JCED CC(C)(C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1cc(F)cc(C#N)c1 1293906037 MBFLHPBQUXXCJN-SFHVURJKSA-N 450.536 0.422 30 20 JCED CO[C@](C)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C1CC1 1503916083 IAHDJNXFHRKOSX-GZRFBZBPSA-N 451.597 0.880 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1=O 1555575781 OUZBZPJUYPIVDR-AEFFLSMTSA-N 451.531 0.979 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1610995188 KIQPBUXNWRSOJB-AWEZNQCLSA-N 459.503 0.812 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1615135986 RMQLPQNFENPXKA-UHFFFAOYSA-N 455.519 0.502 30 20 JCED N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CCCN2CCCO)cc1 1620352186 MVDZPOIWCFUVMC-OALUTQOASA-N 453.547 0.887 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C1CC1)N(C)C 1692796709 SLRLQEPNQYAZBZ-BMGDILEWSA-N 450.613 0.405 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1697715165 WOXXRKGHWKDTGU-QHCPKHFHSA-N 453.547 0.615 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F 1748293482 LXNHZUSUYFDOJM-UHFFFAOYSA-N 465.490 0.859 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1778095864 MBTJFPQDETURKR-VRJXGNDESA-N 474.539 0.553 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CC)CCO2)C1 1778920857 GCPRWDBAYPBVRQ-QZMQVMSPSA-N 498.577 0.393 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1779138739 GNABWFFTHCCATG-IQTGRTGDSA-N 455.496 0.912 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139733 GTTJGYPIVPDFEC-IOCYEQIYSA-N 495.573 0.615 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779210066 YCQKUXGHPYZEJH-YQTDCCHMSA-N 459.499 0.791 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1779337520 XMAUYUPGZZNIRR-SEPYTNNBSA-N 462.547 0.344 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=O)c2cccnc2)C3)c1 1780174386 GLSQXDIHZIHWTF-AUSIDOKSSA-N 450.499 0.839 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1781796932 TUTIHXBDCIYFOM-OXQOHEQNSA-N 451.474 0.965 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(=O)n5[nH]cnc5n4)CCO3)C2)c(Cl)c1 1781967543 JWCMVRMBQTZFEF-NRFANRHFSA-N 467.873 0.700 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1783478700 PFBUHVMKYXDMPP-PCCRXHMLSA-N 471.620 0.902 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1784444156 IKXDMQKSTWJXHF-HYJFEMIMSA-N 478.571 0.245 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1784786745 ZESGJHOXGHDOPE-OKYOBFRVSA-N 489.573 0.692 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1785624912 WRKRAGPZOJJCSD-HJPURHCSSA-N 492.577 0.462 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787496417 WWQNQDLOGGGCRU-OQPHVDMUSA-N 464.592 0.240 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1)C(C)(C)S 1788556882 OJOVGFUMYPZNIU-GZIXRCOHSA-N 497.618 0.444 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)[C@@H]4SC(=N)NC4=O)C[C@@H]32)c1 1789257520 NCFSHZQLBLQCFA-YNRLTXHDSA-N 485.566 0.963 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1(c2ccc(NC(=O)CN(CCO)CCO)cc2)CCC1 1791329243 QPSNIUPXUKARAM-ZHNJOBQTSA-N 462.547 0.936 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1791413065 DCOQYXYRVRJSNO-OWSLCNJRSA-N 463.531 0.701 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1792145516 MWVKNSHXAMOSQS-BJLQDIEVSA-N 466.494 0.232 30 20 JCED COc1ccc([C@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cc1 1792717044 FXSIQLJUVHHZFS-VJURJIQZSA-N 461.515 0.847 30 20 JCED O=C(CN1C(=O)CNC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1793763943 SUNNGLUUTRFDRE-BRTYFSMRSA-N 486.528 0.841 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694127 FDDLEEIKFYBEGB-YYAJDYIMSA-N 461.519 0.365 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799072631 URNAHWAPXQTAFK-XEMDLRDOSA-N 462.572 0.464 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2cccnc2)C3)ccc1F 1799323345 ZRSPNTOZILXJPM-BBIADKPPSA-N 465.485 0.654 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)c1 1799611188 QUFLIZWIZKISIN-MCTZMUKVSA-N 468.554 0.585 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(n3ccnc3)CCN(C(=O)OC(C)(C)C)C1)C2 1800455483 CKTAALVDDLVAFL-PDPLOHQNSA-N 457.531 0.442 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800525442 JBPXTXLXMQJENG-QLCXLMDBSA-N 464.563 0.572 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801979733 ZMTCIVNEOGIIQY-OPVJXMOQSA-N 494.589 0.828 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N)n1ccccc1=O 1801991856 AOLXEJKKPVOLIH-YQYRJILISA-N 450.495 0.950 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O 1802042077 DLADGRCBYOZJOP-MHXAIHSWSA-N 489.544 0.972 30 20 JCED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2)c1ccc(O)cc1 1802410091 GDAPITQYLFIWOI-FJIDUMEYSA-N 475.509 0.967 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H](NC)C(=O)O)C2 1804374612 YHNZDJLKPQJGDI-ZHCJQAHYSA-N 450.536 0.604 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@H]2CCN(C(=O)C(O)O)[C@@H]2c2cccnc2)CC1 1808161098 RTTFZIRPSAYQQL-QZTJIDSGSA-N 487.557 0.939 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1810256812 VLZRXUAWMIDVKZ-WSTZPKSXSA-N 469.542 0.931 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)nc3sccn23)[C@@H]1c1cccnc1 1812877144 DBFJHKZTFJURFB-IFXJQAMLSA-N 451.464 0.559 30 20 JCED Cc1cc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n(-c2cccc(=O)n2C)n1 1812878534 JJNSPMJEHTTWPV-KOSHJBKYSA-N 488.504 0.682 30 20 JCED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[nH]n2)CC1 1817113030 GZUKFOAPYYFNFF-NUEKZKHPSA-N 485.570 0.886 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1819467711 BEFUVIYHTDQFKC-DSLDXNQUSA-N 452.537 0.591 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1823385509 IPKKDCYFYSMPRB-HOTGVXAUSA-N 465.470 0.951 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=N)N)C2)C1 1828514085 HXDAPXZSRBVONR-QHCPKHFHSA-N 469.546 0.471 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1828807975 BQJOBBUCAATSNE-DEOSSOPVSA-N 494.508 0.927 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1829358543 QHPSWLZBHZVWGO-SKPFHBQLSA-N 456.543 0.737 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829471815 ORRPTMNNLNTKFF-KOSHJBKYSA-N 485.541 0.145 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632147 RUDPWLDJUTWQFR-OFNKIYASSA-N 474.514 0.012 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1 1829959719 JASZSGAHPSLTRY-YQOVMPOYSA-N 454.527 0.910 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460163 BHLKSAMMEGHKKN-REWPJTCUSA-N 474.514 0.012 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1830882478 VDBCSRZGPQKGSN-KSFYIVLOSA-N 468.551 0.268 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221119 FEGVBXXBTYVGRK-FQCWUYQVSA-N 473.570 0.969 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1831398746 KFINOBFBFMEYMG-MBSDFSHPSA-N 453.499 0.376 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1832000642 USIBZKVUATXKCE-QMHKHESXSA-N 491.545 0.309 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)CC2)CC1 1833075525 WMXSQSHHJJLUAQ-JNKZXAJXSA-N 485.629 0.817 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)c1cc(O)nc(O)n1 1835075333 HSMGJRUWMVOHOH-BTVXTAIASA-N 476.534 0.602 30 20 JCED COCCn1nccc1C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835179448 CUZRPNHLNTVTRJ-UHFFFAOYSA-N 473.622 0.997 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682730 SRMBDYJPMWVCRQ-CVDCTZTESA-N 451.612 0.703 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)C(=O)O 1835756097 CJWCMKQHHLDOKT-MGPUTAFESA-N 499.446 0.105 30 20 JCED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1835815494 PEZHBKVBORBMBF-UHFFFAOYSA-N 470.578 0.990 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836112747 NTYWLNDVUNZOBR-OAQYLSRUSA-N 462.576 0.307 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)c4cc(C#N)c[nH]4)CC3)CC2)CC1 1836169386 PPZHJFLATZMRSX-UHFFFAOYSA-N 469.590 0.236 30 20 JCED Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)cnn2c1 1836947185 PPXLUNTZADBTDS-QHCPKHFHSA-N 469.546 0.390 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cc(C)cnc34)CCO2)C1 1836949348 JDVKJVJGQKHRLF-HTAPYJJXSA-N 458.519 0.909 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837150413 ZZSOZASYMARDLZ-DEOSSOPVSA-N 469.542 0.282 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837461919 IXOXNHJDNQTYDY-QHCPKHFHSA-N 473.599 0.431 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1837527514 OQOIXTJXKWJFNF-ZOLLBZJMSA-N 498.540 0.866 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837529772 YELASGAASQSVET-VJIOCRDPSA-N 472.502 0.328 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cc(C)on4)CCO3)C2)c1 1837548924 GVINIXRHOVBVLK-XMMPIXPASA-N 481.509 0.663 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837908225 LOSGTJLRGIISIK-XGVOGHQPSA-N 450.467 0.820 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cccn(C(F)F)c3=O)CC2)CC1 1838438512 IGXXWFZGGXOTCR-UHFFFAOYSA-N 451.426 0.944 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cc2NC1=O 1838585810 QIFHMBXBAYZXCV-FYSMJZIKSA-N 453.495 0.889 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(c4)NC(=O)CO5)C3)C2)c1 1838737497 VUCYXTHHDNUJTB-QHCPKHFHSA-N 465.466 0.601 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)cc1C)CCO2 1839022855 IBVWMQMNSLPUAF-WEHRJKGCSA-N 457.527 0.932 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839036016 MWQKSLQPEQZIHA-OSPHWJPCSA-N 457.502 0.814 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)N1CCN(C)CC1 1839103074 CWCIMGPSTLRSOU-KOSHJBKYSA-N 490.004 0.918 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c(C#N)c1 1839131979 KYFXMAWDTZTJNQ-HSZRJFAPSA-N 453.499 0.462 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839136576 ZUAIIZOOEKUAKZ-ZHRRBRCNSA-N 482.534 0.203 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839139924 ZMWMWGIVPHCYBY-HSZRJFAPSA-N 498.577 0.304 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc(C)s3)C2)C1 1839175813 HDUVFENROOQMNK-OAQYLSRUSA-N 451.545 0.960 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOCCOCCOCCOC)CCO2 1839220496 PNUZOLBSPGSDCN-XMMPIXPASA-N 484.590 0.333 30 20 JCED Cc1ccc(-n2ccnn2)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1839478555 DTHSLWLIGDTNSZ-HSZRJFAPSA-N 450.499 0.950 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840009669 PILYHGGMHQOSQD-WFFUTXBBSA-N 491.585 0.594 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840045116 RPCLVCIJLFFZQA-HOYKHHGWSA-N 493.557 0.568 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1840108113 HWNGYKJPNPNOEJ-ROMRWMGNSA-N 496.605 0.779 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840163992 VQYQFVPHQMJZOT-GAJHUEQPSA-N 479.599 0.866 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1)c1ccc(O)cc1 1840221923 UAOZNASIFQTQGU-GJZUVCINSA-N 485.581 0.678 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1)c1ccc(O)cc1 1840222687 XRAKOCQEMBXUHX-JPYJTQIMSA-N 458.515 0.014 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CCO2)C1 1840370205 MSCDJECQKLJNNF-YKSBVNFPSA-N 475.590 0.906 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840483047 OAQIPZUFSGYYCP-BMUPIEFHSA-N 462.503 0.193 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840771805 QLSOELNIQLNRAO-AOMKIAJQSA-N 482.530 0.338 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813770 UUMPKBDLXUBAEM-LJQANCHMSA-N 466.336 0.946 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840844117 DISBBEXFTZOVIZ-YASKCIBGSA-N 491.585 0.738 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(C)=O)C2)C1 1840907412 UNSMIVRFOPYQCG-WZONZLPQSA-N 465.547 0.729 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=C/OC)C2)C1 1840909088 MJUPFDZDVABKQO-XSZPLVAYSA-N 465.547 0.910 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1840912353 DSGAKWOGYCUMJZ-UZFJHSOTSA-N 480.562 0.048 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)=NO2)C1 1841083971 KSUUOJXMQQHLOU-HSZRJFAPSA-N 474.514 0.824 30 20 JCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCS(=O)(=O)C23CN(C(=O)OC(C)(C)C)C3)C1 1846141273 IOXQENIYMSYFIA-GJZGRUSLSA-N 487.644 0.932 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CCC(=O)Nc1ccc(Br)cn1)C2 1846194944 IOTNAEITRXPQPA-UHFFFAOYSA-N 463.288 0.854 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(=O)OC)C2 1846365556 BTYJRCPJMJXKFE-INIZCTEOSA-N 496.561 0.949 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=S)NCC)C2 1847071360 QVSTVCSPCPSBDJ-OAHLLOKOSA-N 451.593 0.590 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccco2)c2c(N)n(CCCC)c(=O)[nH]c2=O)C1=O 116294108 ZIJFSKJKAPRKDZ-UHFFFAOYSA-N 472.458 0.022 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 581959434 ORYMUAYLPQFQNT-UHFFFAOYSA-N 473.536 0.241 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccccn3)c2=O)cc1 603794608 PYOAPSYRXHQVKY-UHFFFAOYSA-N 450.520 0.958 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)s3)c(=O)n2CC(=O)N(C)C)CC1 604270112 GDUCOXOLPVBTQQ-UHFFFAOYSA-N 494.042 0.380 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)c2=O)cn1 608788541 PUTPQLISFGOCMV-UHFFFAOYSA-N 482.478 0.044 30 20 JCED COc1ccc(OC)c(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccn3)c2=O)c1 608827297 KWDSMJUJZGVXSM-UHFFFAOYSA-N 478.530 0.673 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1 608827980 BDNFYLKOBZRLGA-UHFFFAOYSA-N 474.542 0.668 30 20 JCED CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726404417 XLAPVMYHFDXUJC-LWYOUWALSA-N 489.579 0.909 30 20 JCED CSc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 729673496 SJXMPKVUVUOYBZ-UHFFFAOYSA-N 465.622 0.704 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1CCCN1S(C)(=O)=O 744990334 DTWUXUPPCHGINV-INIZCTEOSA-N 462.484 0.334 30 20 JCED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl 828062390 HUFJNRMFKXOSJS-CQSZACIVSA-N 469.947 0.926 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccccc1 839229301 HRIPVNYHAHMIAO-UHFFFAOYSA-N 451.552 0.737 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 918285613 PZIGHEFRLUJIQL-XSOQZJFOSA-N 456.546 0.083 30 20 JCED C[C@@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 918816839 AXYDTQMERDGSNU-QGZVFWFLSA-N 490.582 0.877 30 20 JCED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1297824464 PZVSDSVWRREBPL-JGCGQSQUSA-N 460.560 0.792 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507868460 KMHNSKVJTJJUMG-MSOLQXFVSA-N 489.042 0.912 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cc(Br)cn1 1510197495 XOTOGCPAGDVGNM-NHYWBVRUSA-N 475.348 0.989 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1 1698319165 ZJCVXBPMNBDASB-UHFFFAOYSA-N 473.603 0.915 30 20 JCED CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1710263648 AQJDSTBBWPHGSB-UYAOXDASSA-N 457.627 0.619 30 20 JCED COCCN(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712420045 XBSGDQLOMSTXHE-IEBWSBKVSA-N 465.624 0.325 30 20 JCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)c2ccccc2)CCO1 1712884576 OLJMFBBWRGQKJB-HOTGVXAUSA-N 465.557 0.383 30 20 JCED C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722483208 OHYXWPZVXJXANT-CYBMUJFWSA-N 452.317 0.026 30 20 JCED C[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1726747208 YUTQDLQXHDTVEW-NNFUDEMPSA-N 456.544 0.726 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779394159 MYNCYICJXONWCJ-SPLOXXLWSA-N 476.490 0.678 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(OC3CCOCC3)n2)C1 1779957753 JRBBRBMEPOQYMM-NTKDMRAZSA-N 471.510 0.855 30 20 JCED Cn1ncc(I)c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335410 UQKZIYGWPPKXSH-GOSISDBHSA-N 494.293 0.982 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c1 1781103340 KQDPKHWXOIALIH-DRSNIGMVSA-N 457.462 0.423 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1781271560 WISLXGYLBSHILY-IIBYNOLFSA-N 455.508 0.169 30 20 JCED CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017415 JKWXUGXGZFCHHQ-WJONJSRFSA-N 451.520 0.892 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783159938 ZKQYQGWSGSAGLA-WCJKSRRJSA-N 450.536 0.422 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1784313460 AQOATUBXKFIRAV-JTSKRJEESA-N 460.535 0.979 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1784373773 ZOOJRFRLEOIYMM-ZJSXRUAMSA-N 464.526 0.781 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784519529 WXJUYPJVBPLCKI-ZFLVSSJOSA-N 459.565 0.176 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1784786690 YMHPMQCXIODRPY-JLCRNFDHSA-N 496.605 0.086 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CNC4=O)[C@H]3C2)c(Cl)c1 1784953741 WEDLWMSUHIOYJL-QRTARXTBSA-N 459.890 0.357 30 20 JCED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1786564168 LKYCPEMODXHSJC-ZJOUEHCJSA-N 464.478 0.788 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788498181 XYRYAFIKXISUEQ-GSWSRBKMSA-N 452.511 0.752 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1788603170 BNUOIAOFYOWOES-BAVDVLQDSA-N 467.530 0.155 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1788678926 SGORAIQPVVUMOP-FXNDRQMZSA-N 461.544 0.481 30 20 JCED CC(C)[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)N1Cc2ccccc2C1=O 1791072324 CJMDTUPMLFTKLS-UDSSINMLSA-N 467.522 0.735 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)cc(OC)c1F)C2 1792489825 XOSPRHCLQQGQQX-VOAUMERWSA-N 461.490 0.905 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)C2 1793340828 PBCGOMAORCRUMR-DKLJTFSYSA-N 459.568 0.725 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1793347727 IKBSYLIGRIQACB-OGJJZOIMSA-N 481.546 0.071 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2 1793599899 JTYIISUJJGHCHN-JYYAWHABSA-N 454.524 0.401 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794506819 QJVKMTGMBAVVAK-FEJSZKPUSA-N 499.568 0.121 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C 1795519021 TZXFXVDVGRNRDM-SFNKJDCFSA-N 478.594 0.146 30 20 JCED CCn1c(-n2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](C)S)C4)cc2C)cccc1=O 1795936390 WFYZCNHQZQNSIC-IHSNIMORSA-N 459.572 0.884 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnncc2C(=O)O)C3)c(C(F)(F)F)n1 1795994326 BICOYAVCGAHNGF-CULMDFNYSA-N 490.398 0.977 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CO2 1797450214 WCDUNSGWDOZZEK-CWPLJXCYSA-N 455.515 0.503 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC)c1ccccc1 1797586339 PXEVMZVJFQAHRD-AIYVTKCESA-N 457.527 0.838 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1801966722 HFYBGZSKZPLEFF-WERVVEIQSA-N 495.621 0.930 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1802488552 YCMILWXYTAEHPZ-WUDFEMJASA-N 463.498 0.149 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)Cc2cn3c(nc2=O)SCC3)[C@H]1c1cccnc1 1812877964 QZRYTCNMAIXGJR-QRWLVFNGSA-N 467.507 0.081 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879044 OVFBILOJNAZIQO-GJYPPUQNSA-N 460.487 0.061 30 20 JCED CN1CCN(CCC(=O)N[C@H]2CCc3nc(NC(=O)C(C)(C)NCCC#N)sc3C2)CC1 1814976252 CGHMHTJAQNXKQD-INIZCTEOSA-N 461.636 0.974 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)CCOC1 1825671085 ZGQTZMZOOIUFKD-LAJNKCICSA-N 478.527 0.827 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(N4C(=O)C=CC4=O)cc3)sc2C1 1827873460 CPFMJHGCPMKUQQ-CYBMUJFWSA-N 464.459 0.886 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCN2C(=O)OCc1ccccc1 1828506047 WEJQGFGUZTYMFQ-CLOONOSVSA-N 496.520 0.053 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCN1CCOC1=O)CCN2C(=O)OCc1ccccc1 1829101588 TVCOGFUYHCEITL-XMMPIXPASA-N 468.510 0.914 30 20 JCED COCCOCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332380 JBPAGGJCGKKXRW-XMMPIXPASA-N 487.509 0.190 30 20 JCED Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)nn1C 1829332407 KHYVZNDTWRHDBR-RUZDIDTESA-N 493.520 0.882 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1 1829466962 VLRWNURXAKAROB-XMMPIXPASA-N 454.527 0.988 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(N)=O)CCN2C(=O)OCc1ccccc1 1829472279 WAEQDTSATUCGKV-QFIPXVFZSA-N 456.503 0.411 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1829771232 MYCGSYPRJKIPSH-FUMRIQNTSA-N 453.499 0.263 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@H](C(=O)OC)C3)C2)C1 1829773059 AAQSTYPAZCQUAF-KIMLYBELSA-N 477.558 0.281 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)n1cnnn1 1830464518 IQMIUXHELJGJMZ-HTAPYJJXSA-N 453.503 0.195 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831221087 CDKJERRMRJJONA-DEOSSOPVSA-N 474.579 0.893 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1831413192 POROZTOGSISVQV-NRFANRHFSA-N 450.492 0.000 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1831424022 AWXZNDADSIHZGU-JPYJTQIMSA-N 480.583 0.680 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1831428034 XRLXFINEPBFEQF-HOYKHHGWSA-N 472.542 0.388 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831447128 SHUMLOXTZPZQEZ-JOCHJYFZSA-N 479.530 0.602 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831451641 HQQSWUKEMBBKJO-MBSDFSHPSA-N 477.583 0.628 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831486291 AUWAYGQJBKKLLP-YVHKJVDXSA-N 489.635 0.937 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1831998421 FUVQKVIREBMHHZ-GAJHUEQPSA-N 467.563 0.949 30 20 JCED Cc1cccc(C)c1N1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1=O 1832545607 WGAQFQLNLSIBES-KBMIEXCESA-N 483.521 0.201 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1833449912 XGBIJNGKCVPMBK-IBGZPJMESA-N 474.627 0.938 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565337 GQNBOJZSDFKRIU-AUSIDOKSSA-N 495.598 0.269 30 20 JCED COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1C 1834579819 JYBHJTOJSKWONP-OXZVPYCZSA-N 476.530 0.998 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1835102176 ICNLZEIZWXWSSV-XMMPIXPASA-N 452.463 0.925 30 20 JCED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)CC1 1835482019 WRHUXJZDGXCWMJ-NCELDCMTSA-N 461.655 0.277 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1835672609 FLMCTKGSRQKKPG-FQEVSTJZSA-N 450.927 0.482 30 20 JCED Cc1noc(C)c1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672659 GJEOFLZQPSEHSD-HSZRJFAPSA-N 461.563 0.962 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1835677770 XAWJOOVEETWOHM-DEOSSOPVSA-N 469.542 0.533 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837443806 RIGWFSFVLXHXSY-YQNSVDCASA-N 455.519 0.271 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1=O 1837486674 MGAUMUUNGVSDSG-DEOSSOPVSA-N 457.527 0.154 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837524654 LCDHIARKCVTBMJ-MVEKFVFXSA-N 481.481 0.381 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1837529827 ZNQOUQPZXMSEAM-MOKCTGBOSA-N 481.424 0.077 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1837531037 BDHWMFCGMDHILJ-YIPJSWNASA-N 450.467 0.820 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837563772 ZVNUYKUCALXZLX-JBMWNJKUSA-N 452.471 0.511 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1)c1ccccc1 1837612986 QSYCFFYUKIAGNX-WATLYSKOSA-N 471.554 0.703 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)CNCP(=O)(O)O)CC3)CC2)c1 1837835911 NESQADDIDDSPNV-UHFFFAOYSA-N 494.485 0.904 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950866 KWDPURJQQGVKOV-CYFREDJKSA-N 488.541 0.514 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)c(C#N)c1 1839103651 UFAWPTVLHZKYNQ-IBVKSMDESA-N 499.612 0.202 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5ncccc45)C3)C2)c(C#N)c1 1839131884 FPRKUUMJWVYTRH-VWLOTQADSA-N 490.520 0.922 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1839176607 XXFAFNYJCIQZAL-NRFANRHFSA-N 452.504 0.296 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839226116 FJKCYFXTYWRXCS-VGOFRKELSA-N 458.519 0.529 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839390165 WFBFFFDKUSJKFD-JBELXZHTSA-N 499.564 0.912 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)CCO2 1839697593 ZGTJMVOUGORWTJ-AJNSLAEPSA-N 451.545 0.847 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)CCO2)C1 1839803882 BCAYODZEKDDLLA-IBVKSMDESA-N 499.564 0.750 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1839889224 JHIJOOFFGOYBEV-YWZLYKJASA-N 467.473 0.263 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840166311 BVWMYSDRKNJZBN-YADARESESA-N 479.574 0.882 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840183216 UPZICIAHHRQIBR-PKTZIBPZSA-N 475.498 0.009 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1840222032 AHVKPMAYIINDDO-DRMXPCRNSA-N 482.541 0.593 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)C3)C2)CCC1 1840813207 MNMRVVTUJJXARI-RUZDIDTESA-N 496.568 0.172 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1840819605 VTXBQAOHQOVLGY-DEOSSOPVSA-N 482.493 0.416 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(c4cc(OC)ncn4)CC3)C2)C1 1840840610 GANUXTIPFAPISR-XMMPIXPASA-N 471.558 0.571 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840897324 WMNWZLHOPUHWAD-KUHUBIRLSA-N 472.589 0.104 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840904100 YJJBEFZXLCQAKC-YADARESESA-N 457.527 0.220 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cocn3)C2)C1 1840906926 LTXSYMHBYVZBNB-OPAMFIHVSA-N 462.503 0.661 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1840909613 XXCBBXONCMEATA-NTKDMRAZSA-N 489.573 0.565 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C1 1841231101 QFASBQYXLKHNRR-LRIFPRNHSA-N 469.604 0.890 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1845209984 OPWCWNHVIMIHBD-LJQANCHMSA-N 468.558 0.901 30 20 JCED O=C(/C=C/C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1)c1cccs1 1848070835 PCBTUNJKYFXBIX-PIGHNIFASA-N 451.570 0.419 30 20 JCED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 16161737 AKCCOMWJNBEOCJ-UHFFFAOYSA-N 466.498 0.931 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 108633201 YZLRUHCYZPEMNY-JJIBRWJFSA-N 470.511 0.697 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)CC1 508381289 XKSWZILLSPTZBL-MSOLQXFVSA-N 489.554 0.325 30 20 JCED CN1CCN(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)CC1 514473050 FWLHXVIGQHJUHG-UHFFFAOYSA-N 469.011 0.696 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OCCOC)c2)c1=O 515649045 ILLYECALJCQFJS-UHFFFAOYSA-N 457.552 0.707 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)CC2)nc1 516095610 VSZZYWXKOWQKIV-UHFFFAOYSA-N 472.502 0.920 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 608828869 OSAXJNTWUQSMQU-UHFFFAOYSA-N 488.525 0.574 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H](C)c1cccs1 726583468 ZYVAMSZCSVVWHW-UONOGXRCSA-N 457.581 0.968 30 20 JCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(-c3ccc(F)cc3)c2)c1=O 728557694 PKBGSERGVMGPCN-UHFFFAOYSA-N 455.515 0.909 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CC1 728573748 UGYHBWLTNKNANU-UHFFFAOYSA-N 491.614 0.175 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCN(C)S(=O)(=O)N1CCOCC1 731290505 FIKVYLXDMDCBOL-UHFFFAOYSA-N 450.521 0.202 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 893402197 RVFFRJDGFPZADT-CQSZACIVSA-N 469.516 0.850 30 20 JCED CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 918406256 MLUKIMMTWYJJHD-UHFFFAOYSA-N 458.500 0.422 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1cccc(C(=O)NC2CC2)c1 919034599 WFRBSESUKTWSRY-UHFFFAOYSA-N 470.507 0.588 30 20 JCED CC(C)[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 919316475 YGZKPSBKLJGZOJ-UYAOXDASSA-N 470.569 0.734 30 20 JCED CNC(=O)[C@@H](C#N)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 919667100 PZOOVEACEYGVGK-INIZCTEOSA-N 479.515 0.287 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1141568756 MDCWYJNSGNDKPR-UHFFFAOYSA-N 456.528 0.881 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)C1CCCCC1 1288869899 LNXFBJWSAYOZGT-GOEBONIOSA-N 453.569 0.408 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCOCC2)CC1 1360791502 YYHBOHVBHQSNOR-MRXNPFEDSA-N 468.580 0.283 30 20 JCED Cn1cc([C@]2(C)CN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)CCO2)cn1 1503646610 JUVSRQDGWDUMNE-NRFANRHFSA-N 470.559 0.851 30 20 JCED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1544577253 YTNLZSNLOPZQPG-MRXNPFEDSA-N 453.503 0.254 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@](C)(O)C3CC3)CC2)c1C#N 1612470292 OFFQCSSCUFAQHZ-JOCHJYFZSA-N 455.567 0.818 30 20 JCED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1692523693 LXEPJVIDIRINJW-KRWDZBQOSA-N 459.573 0.237 30 20 JCED CCN(CCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1766874330 JYJFVQHVEAMJHE-OAHLLOKOSA-N 481.604 0.670 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1766995192 VCINAURJKUHZLC-QGZVFWFLSA-N 461.544 0.894 30 20 JCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1=O 1769077835 SVUKVWPCFMDPCK-IBGZPJMESA-N 453.547 0.854 30 20 JCED N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1771537283 LMMXHJHLQIWCOS-QGZVFWFLSA-N 463.589 0.371 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cccnc2)C1 1778053820 RWKVIBYWIPDAJC-PNHGGQKBSA-N 455.559 0.324 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1778970024 DDHQUMKCRXYGHM-WCJKSRRJSA-N 455.552 0.275 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779068281 YDYHUDOTCZGTGB-UQBPGWFLSA-N 493.601 0.791 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1)N1CCN(C)CC1 1779397074 MFEMCOHUPRFYHB-TZBSWOFLSA-N 474.646 0.835 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779422840 PHADFZQXDNMBBK-KVEAQENSSA-N 453.540 0.476 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779953245 HJNDTCGXHCFSGH-NRFANRHFSA-N 460.512 0.709 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1782764664 HGKLUDVNUARRNP-PNLZDCPESA-N 460.535 0.586 30 20 JCED CCc1nn(C)c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1Br 1783562333 LMXYQDHITZIDRC-SFHVURJKSA-N 453.293 0.277 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1783769207 OEDTZOUNRYLPAH-OPAMFIHVSA-N 483.635 0.770 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21 1784482855 HLUZXITWSCRKGL-NAAXCJBNSA-N 451.523 0.914 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cnn(C)c3)C2)C1 1784577785 KKRMRHVRSKGNIQ-MBSDFSHPSA-N 459.547 0.709 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784747557 DAKLACXPQJIIRY-IERDGZPVSA-N 471.576 0.168 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1784785744 PHJCGEGPLCXAST-ATIWLJMLSA-N 452.552 0.570 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2)NC(=O)OC(C)(C)C 1785308699 NJPPDSRZRXNEAJ-OSPHWJPCSA-N 490.557 0.601 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1785574506 LNRIQLGNLKLIBK-JTSKRJEESA-N 453.536 0.396 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1785575175 ZLYBLQDFHLAMAG-JLCFBVMHSA-N 475.502 0.248 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1785623146 IPCJLEASRXZDJE-DVECYGJZSA-N 471.558 0.783 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5c4CS(=O)(=O)C5)[C@H]3C2)c1 1787152665 UJVUDVCLGNOQMY-KNBMTAEXSA-N 483.550 0.925 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)C[C@@H]21 1788774774 ZNPJHOMIWLLBIZ-WNHJNPCNSA-N 462.934 0.956 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(=O)OCCO)[C@H]2C1 1789250137 XEAAJLFCFFCCAX-SEONNTABSA-N 458.511 0.467 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CCN4CCCC4)nc3)C[C@@H]21 1791075611 DJLFKOXZVWMPLX-JBACZVJFSA-N 454.527 0.401 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1792795398 KMNZSMIEXSSZRW-KRVVFRQQSA-N 484.619 0.788 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1793082335 AOBKIHUOCFFTOA-APAFKAMOSA-N 481.590 0.785 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794320451 ICDZYCIFACAKDC-MVJTYMMSSA-N 451.545 0.261 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797784459 GNEBATQMLGLDDJ-RCLSDMTESA-N 493.601 0.550 30 20 JCED Cc1nnc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)s1 1797809031 YPRHKRIIMYQZMS-ALUNZNCISA-N 451.549 0.898 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797810913 BJFJHSMWKCTYHQ-UYGTVQGXSA-N 498.577 0.645 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)cn1 1797837395 SSNLXJRHNBQMNY-SPHVFERGSA-N 474.539 0.542 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n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c1cnc(O)nc1O)C2 1802126073 BFSZESONSKIHRP-XRGAULLZSA-N 475.502 0.008 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1802482624 MLEBTORGQTYLAD-TVAQVYIISA-N 498.565 0.411 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@@H]3c3cccnc3)c2c1 1807705386 DWCJOWHUXTVDSP-FPSLLJFYSA-N 459.510 0.872 30 20 JCED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1)C(F)(F)F 1812678483 VJNXQZHVPWTJBG-WFASDCNBSA-N 462.392 0.646 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2c2cccnc2)c(=O)nc1O 1814039709 GLXKUNBQPIJNTR-AWCXLCRFSA-N 498.540 0.887 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)CC2 1819774704 MMIOPEVBYGHCLX-NWGMWSOJSA-N 482.632 0.952 30 20 JCED C[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1822379857 ODGZMWDXOZNYBL-WCQYABFASA-N 474.547 0.167 30 20 JCED CN1CCC[C@@H](C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1829201666 SQOAXSKAUWZJBC-QFQXNSOFSA-N 496.564 0.868 30 20 JCED O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CN1 1829952476 OROYYVNYPFOIDR-MAVFSWBHSA-N 461.540 0.470 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1830056528 DJSXCYUSONCPPI-QHCPKHFHSA-N 457.531 0.538 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1830058199 RBEOWJAHSJACJX-KRWDZBQOSA-N 487.298 0.634 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)[C@@H](O)C1 1830060839 UTSSIQGICWHCOH-HKARXFIJSA-N 480.562 0.220 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)N1CCN(C)CC1 1830468749 WSJFGCFNTCLCLM-CPJSRVTESA-N 489.016 0.784 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1830646058 OLLNKFVOYKGKLR-HSZRJFAPSA-N 460.531 0.482 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1831215450 NTWYALCQTKQYJM-XMMPIXPASA-N 450.495 0.649 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1831397876 YXPFQGJOESLECP-UZUQRXQVSA-N 461.490 0.649 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1831424934 OGLDEYSFVCJWKZ-MBSDFSHPSA-N 455.515 0.928 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCC)C2)C1 1831998650 PHJCVRGWQWYJQT-VGOFRKELSA-N 455.552 0.949 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)cc1 1832794021 XROJAPYSAFGNKM-QFIPXVFZSA-N 468.470 0.362 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)cc1 1833040139 NMIIHXMCXQKJLT-QFIPXVFZSA-N 468.602 0.655 30 20 JCED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)cc1O 1833409784 LEXLUHZMFKVMIN-JOCHJYFZSA-N 457.462 0.449 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)c(O)n1 1833696293 ZQSGGQQAXIDJSG-HSZRJFAPSA-N 469.498 0.785 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c(Cl)c1 1833766422 ODJDQDUFIMIVNX-LJQANCHMSA-N 486.960 0.995 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833786751 JZFJDYHOJWLEFV-UHFFFAOYSA-N 476.534 0.872 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767138 MIYQIUWSGUZZHB-WMZHIEFXSA-N 488.545 0.614 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCC)CCO2)C1 1834990502 NBLJXTAUHWSNJF-JTSKRJEESA-N 453.536 0.396 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1835099103 ZQHWYGUIVKHSOU-RUZDIDTESA-N 454.571 0.132 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCS(=O)(=O)c4ccccc4)C3)C2)CC1 1835342735 NZMDHOUNWLHDNZ-JOCHJYFZSA-N 461.540 0.611 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835359054 UYGSDKPACFQTSC-NRFANRHFSA-N 454.524 0.288 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnn4ccncc34)CC2)CC1 1835403677 AYFQRPDTJYRMGW-ARJAWSKDSA-N 465.558 0.773 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835510117 DUEJGCHHQTWWEH-IBGZPJMESA-N 463.623 0.313 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836099942 PKSRESUMEDFDHV-KRWDZBQOSA-N 468.558 0.866 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836225998 RELBCOUGHDQICF-IXFSTUDKSA-N 465.547 0.538 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)CC2)CC1 1836362066 HVYRVMYCHJINOE-DSUKXZGJSA-N 485.629 0.817 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1836756573 YLDAMKPSSLRHAM-IBGZPJMESA-N 493.557 0.709 30 20 JCED CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837244153 PIOLKENSIOFKAE-DHYKOVJISA-N 473.555 0.663 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c1 1837254822 USFVRKNBYBWPJL-UZQCKINESA-N 456.474 0.602 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CC2)CC1 1837340937 VQSSXSFGSSMVKX-UHFFFAOYSA-N 497.552 0.108 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1837486817 QXZZJZDBUQSRMM-BKMJKUGQSA-N 484.549 0.981 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837529751 XSXXHLALKHYIGR-WVBYBHFTSA-N 472.502 0.328 30 20 JCED Cc1cc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)/C=N/O[C@H]2CCCCO2)CCO3)no1 1837531757 VZRSKABFWIJSKH-SPGHIOHQSA-N 462.503 0.982 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837728077 SENQRCLTWYWZPJ-XUZZJYLKSA-N 472.542 0.098 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4cccnn4n2)CCO3)c(C#N)c1 1838426741 CPDBWEFXXYXNSX-RUZDIDTESA-N 490.520 0.922 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4cncn4)C3)C2)c1 1838583547 IGTNDMZWYASOFT-AOMKIAJQSA-N 454.487 0.490 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732868 DDWYCCIRQWMKPR-FTGWLVSGSA-N 495.536 0.136 30 20 JCED CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838829042 YNIPKSHTKMXGSK-JOCHJYFZSA-N 477.470 0.785 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838952854 KOVVPFPGZBNNKP-MBSDFSHPSA-N 474.514 0.471 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(c4ccccn4)CC3)CCO2)C1 1839051133 VDGDEBXLFUSONH-CJFMBICVSA-N 470.570 0.793 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc(C)c(C)[nH]c4=O)C3)C2)c(C#N)c1 1839131332 BLTOATBGICDHKA-RUZDIDTESA-N 495.536 0.580 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)cco4)C3)C2)c(C#N)c1 1839131904 GZVYIQFMUYSPBZ-XMMPIXPASA-N 467.478 0.833 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1839224969 ULVWKKRJFZKNDZ-PMAPCBKXSA-N 499.609 0.486 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1839227595 UXIBVYGSXNMPCF-IERDGZPVSA-N 450.540 0.904 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NOC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2)C1 1839810754 PWVNSUVTMJXJMP-DEOSSOPVSA-N 490.557 0.622 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)C2)C1 1840043842 XBJQABJFDBUMAG-DEOSSOPVSA-N 481.461 0.690 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840159816 OHEAPVNOYPDJGH-KUHUBIRLSA-N 457.574 0.015 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609982 LSMKGZPWSIGGFN-AUFFKQJYSA-N 477.558 0.252 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)C(F)(F)F 1840818685 PTNSCFDBSWFTFZ-VQTJNVASSA-N 471.432 0.707 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)CCO2 1840845156 KVEUCRTVLKGZEM-WATLYSKOSA-N 487.553 0.791 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 1841055403 AYOVWRGNUWENKA-XCLUONLBSA-N 488.585 0.930 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1844238165 LWYPPNRWUZXSPB-HNNXBMFYSA-N 474.583 0.618 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ncn3c2CNS(=O)(=O)c2ccccc2-3)C1 1844623451 SJQOLJSGIQIGIM-MRXNPFEDSA-N 483.550 0.520 30 20 JCED C=CCn1c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nnc1-c1ccncc1 10491832 JABBRPKQAJOSEE-KRWDZBQOSA-N 462.601 0.950 30 20 JCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 17223962 JTHYEKBHDGOBAJ-UHFFFAOYSA-N 457.487 0.871 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(CN4CCC(C(N)=O)CC4)c3)CC2)c1 516409219 BHGUNKRSXSHQPV-UHFFFAOYSA-N 475.553 0.938 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc4ncccc4c3)c2=O)cn1 523181069 VFULYKVHEDMPIJ-UHFFFAOYSA-N 474.546 0.929 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc3c2OCO3)c1=O 523734002 KJFDEWRULVKGCM-UHFFFAOYSA-N 484.578 0.342 30 20 JCED O=C1CN(N=Cc2ccc(-c3nn(-c4ccccc4)cc3C=NN3CC(=O)NC3=O)o2)C(=O)N1 812451311 GCKHRPXRZGSPNS-UHFFFAOYSA-N 460.410 0.904 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 916476221 MMKMDQCIKVTBER-UHFFFAOYSA-N 472.548 0.766 30 20 JCED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1OC 916935716 UEAMXGLQMONSRN-QGZVFWFLSA-N 486.506 0.785 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCCC1=O 1303866806 LFICGZDUQBRDNB-JKSUJKDBSA-N 453.569 0.410 30 20 JCED C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1541815539 LTYDUZZNMLOGRD-INIZCTEOSA-N 455.519 0.678 30 20 JCED C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1541879428 TXQHXXDKHKIXRL-HXUWFJFHSA-N 480.617 0.995 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1541881117 YHCMVMNOLOKLHM-DXIQSLLYSA-N 495.650 0.709 30 20 JCED CN1CCN(C(=O)Cc2cccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c2)CC1 1621821662 QRJJKVSJTBGCTN-UHFFFAOYSA-N 455.540 0.792 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(Cn2ccnc2)c1 1692805555 UXTOAVQDBFAIOT-APWZRJJASA-N 470.559 0.910 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1697021311 PKDMHSIPSARHGI-AWEZNQCLSA-N 455.338 0.986 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC(=O)N1C 1726727277 URLBQTJVKODQOR-SJLPKXTDSA-N 487.586 0.820 30 20 JCED CN(C)C(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729308619 SLNSHDCRTHXADG-MRXNPFEDSA-N 456.576 0.924 30 20 JCED CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCS1(=O)=O 1760810891 SSDBOPWCFLBOJM-BRWVUGGUSA-N 452.581 0.961 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CCO1 1769260112 XHAMKKRDRRVKIX-GOSISDBHSA-N 455.519 0.548 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)c1 1777715911 ZQPSAUKPMMRGCC-DYESRHJHSA-N 472.527 0.479 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CCO2)C1 1778974316 YFCJZTKICOCDIS-OSPHWJPCSA-N 480.525 0.587 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066711 CDPXLVYXHKQQJF-KBMIEXCESA-N 493.601 0.791 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1)c1ccccc1 1779091810 FNDCEWFLENJLDS-UMXIMWEHSA-N 455.555 0.664 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1779105744 UQGYFVWVMCJAJM-VJIOCRDPSA-N 494.570 0.599 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780330615 YDOHEOSZUWJUGE-AAORUROXSA-N 465.510 0.509 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780939397 ZBQDFXUCSXOCRF-LJQANCHMSA-N 454.499 0.933 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)CS(=O)(=O)N4CCCC4)CCO3)C2)c1 1781963620 OJCFYQYLOMCHJX-NRFANRHFSA-N 464.519 0.566 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCNC(=O)C2)C1 1782275724 UZNCGPAPIUPMGW-WPSZSDGUSA-N 454.527 0.977 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)C1 1783032413 KWEHZEFBUKUADL-LNCAXPMHSA-N 496.564 0.943 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4snnc4c3)C[C@@H]21 1783531759 URLOPJNITUMYBA-IBKBTCHNSA-N 456.528 0.538 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)C1 1783768425 MDQUVCAOFCESPX-ZMPRRUGASA-N 484.550 0.350 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1)C(C)(C)S 1783778626 VZRWHVIWAKUWMT-QRWLVFNGSA-N 493.648 0.463 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783899946 INMBWHHNRSBHIJ-VFCRVFHLSA-N 487.623 0.476 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1785728058 OXWXAVIACAXNPR-MBSDFSHPSA-N 473.530 0.966 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc6n(n5)CCNC6=O)[C@H]4C3)c2c1 1786261487 UYVDLYQIJVAHGD-UVFQYZLESA-N 488.508 0.282 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786693330 LMBGUVQIYPURHN-PQQDHYPZSA-N 496.630 0.932 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(NC(=O)OCc4ccccc4)CC3)[C@H]2C1 1788204682 QAAMSHPTHKNRDF-FHWLQOOXSA-N 469.494 0.513 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1788573747 JPYWDHGNXBAUEN-GTYQWKCWSA-N 495.617 0.767 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@H]2C1 1790703863 NVEPVTBQVADBAQ-ULQDDVLXSA-N 497.556 0.520 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1792176763 YPGUDMXNOPDKLL-VJANTYMQSA-N 493.605 0.721 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1c(=O)oc3ccccc31)C2 1792484668 WOLWQBLYGVHZOQ-XXGILCFXSA-N 468.510 0.433 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792833641 IYKSYTDIUPAPGX-YHELAOLJSA-N 472.542 0.924 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1793088160 WARCLKPCJNGJFK-YYIAUSFCSA-N 450.536 0.546 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1793344181 JILQXDBYFVDMQO-FWBPUNABSA-N 493.601 0.622 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C2 1793592700 PBMFHBBBZVVGRX-XMTFNYHQSA-N 466.579 0.960 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOCC2)C3)c(O)n1 1794489140 GWUYWQZSZGGUBP-OPMZPASUSA-N 458.559 0.831 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1799334473 FJHGGPRJEAJNAN-RCLSDMTESA-N 493.582 0.492 30 20 JCED C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C)C2 1800754649 SYOIHXSUZBWPIK-DRYZZIBHSA-N 486.569 0.964 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2)C(C)(C)S 1800908042 VBSLFHQQVVTCHW-NOXHYTERSA-N 483.591 0.920 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1803564896 KYCCOMMSBZVJAX-WRWLIDTKSA-N 452.515 0.932 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)COCCOCCOCCOC)[C@@H]1c1cccnc1 1812938614 FPWYFBRBJMYLFG-SFLYRZDNSA-N 491.585 0.822 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](COC(C)=O)OC(C)=O)n[nH]1 1819428907 QSLQZZWTMQLJFO-VTFYZGIISA-N 475.502 0.755 30 20 JCED Cc1cn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=N/N2CCCCC2)CC3)c(=O)nc1O 1827994327 JPAGEUOIZKRFPI-GGPGUOJZSA-N 473.559 0.798 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829231204 CXQOTZRKXVYVEG-YADARESESA-N 467.526 0.973 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)cc1 1829628385 QDYLTODBENGTGX-YKSBVNFPSA-N 454.527 0.473 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)c(NC(C)=O)c3)C2)C1 1829770987 AHZUDTOZFYZWCO-UTBBOMKLSA-N 484.553 0.882 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@]4(CN(C(=O)Cc5ccc(C#N)cc5)CCO4)C3)c(C)n2n1 1829903117 IRHIBEPNJGGGFK-VWLOTQADSA-N 489.536 0.926 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)C1 1830054413 QCRHOKRXWYROQG-XMMPIXPASA-N 484.557 0.028 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1830575046 QLEMWIVTBQMZCK-DVECYGJZSA-N 488.541 0.514 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830659311 YUAWEXHGVWDESG-DEOSSOPVSA-N 468.558 0.615 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1 1831998804 TZDKLVNDNDICMG-GAJHUEQPSA-N 477.562 0.960 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1832000374 NFNQBEYHQRHCTH-YZZKKUAISA-N 464.563 0.440 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832799694 BYBZXSSXMLMIGX-KXBFYZLASA-N 452.468 0.049 30 20 JCED Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)s1 1833018798 ICYUKQIWRXQXSF-NRFANRHFSA-N 464.592 0.517 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)CC1 1833472520 LRQQZNCFMGYWTH-UHFFFAOYSA-N 475.590 0.812 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)nn3C)CCO2)C1 1834166902 CIWACMZDBCPPJP-KOSHJBKYSA-N 489.573 0.715 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)NC(=O)OC(C)(C)C 1835439139 BREVLCGJXOZBIY-GAJHUEQPSA-N 482.578 0.391 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1835675222 XTDHQMUQPUUAMX-QFIPXVFZSA-N 455.519 0.310 30 20 JCED Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(-n2nccn2)c1 1835678120 ZASYSJUBQBJJCA-RUZDIDTESA-N 495.584 0.928 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835754366 IXYMJCAYXDOSNX-OAQYLSRUSA-N 473.530 0.566 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1837397240 UONYMGJYCXNHCV-HXOBKFHXSA-N 490.582 0.708 30 20 JCED C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(F)(F)F 1837440798 YPYNIDUHQKMHCX-SVBWMBTISA-N 450.458 0.228 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1cccc1C=O 1837441936 JKBLPAYHVMCWPK-HLJYZJMUSA-N 459.547 0.790 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2)C1 1837496183 GTTYDLSNFWXCEM-XXBNENTESA-N 468.547 0.930 30 20 JCED CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1837524595 CLAOQCWDTGJCSC-CVUWTOEQSA-N 452.552 0.314 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529905 GTBJNUPVWKJCPG-ZWGHOPNTSA-N 474.514 0.385 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1837530161 JMBLACNRVCLOBQ-VPNMEXPPSA-N 499.524 0.934 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837531619 REVIIOMAWYRKIC-AGVQAPASSA-N 467.910 0.729 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837566805 NEDFOHOMPWAJCQ-YQSZEYAUSA-N 466.498 0.440 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837592054 MISDJXFABCTSTR-NTKDMRAZSA-N 489.573 0.634 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)NCc1ccco1 1837635620 BMGFGJQHVHDSMN-ZBZLEAMPSA-N 487.557 0.380 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n1 1837655713 UHVXMUOMVHHEJA-SANMLTNESA-N 493.564 0.858 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)c1 1838580473 FABLCPICECXIRY-DEOSSOPVSA-N 479.493 0.445 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5cccnc45)C3)C2)c(C#N)c1 1839132782 PISJWYPFHINQGT-VWLOTQADSA-N 490.520 0.922 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1839175198 UJAVTNNXGOBVJP-HSZRJFAPSA-N 460.531 0.799 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1839185725 JOOBTZNABAMWMB-SBUREZEXSA-N 498.577 0.658 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)ccc1F 1839187141 MHSIZSDVUSVDFC-JOCHJYFZSA-N 471.445 0.211 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839228674 LPCCCKQVWVBDMO-ISJRUSPKSA-N 465.547 0.999 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n[nH]1 1839488145 AHSWNRNCRMRREH-QHCPKHFHSA-N 463.498 0.779 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CC(c5ccccc5)=NN4)CCO3)C2)CCC1 1839635997 IEMSJQQNVRIXSG-GBXCKJPGSA-N 451.527 0.903 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]34CCO[C@@H]3CCN(C(=O)OC(C)(C)C)C4)C2)C1 1839810713 MOBGZVXTKADUIJ-PUZWTLIVSA-N 477.558 0.492 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(O)c3)C2)C1 1840043629 KRUDSCQDEWGMFF-LJQANCHMSA-N 467.272 0.313 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840071870 LSKOPVHLUCFXOU-OWSXEPHWSA-N 492.573 0.507 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840167907 VJSKENLVNAVZPU-YADARESESA-N 479.574 0.882 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1)NC(=O)OC(C)(C)C 1840795497 LIYCVLDFTCIGNT-KSFYIVLOSA-N 479.534 0.999 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1840906678 GTXVGMSKRGTXAH-IMWIBFENSA-N 494.589 0.274 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1840907128 PLCXUYHPHJLDKW-CYFREDJKSA-N 489.573 0.715 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)[C@@H](C)CC)C2)C1 1840907165 PVPAITSRXJGLRY-YBJWPOLQSA-N 481.590 0.766 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1844238326 VWPPTXHBCOKXRG-IKGGRYGDSA-N 451.564 0.991 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)[C@H](O)N2CCOCC2)C3)CC1 1845137445 WBDSSUSYIAGHHE-SFHVURJKSA-N 491.589 0.381 30 20 JCED Cc1nc(S(=O)(=O)NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1C 116611260 LCMKCUNXRSCMFU-UHFFFAOYSA-N 459.488 0.475 30 20 JCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Br)c(O)c(OC)c2)c1=O 514658650 VXQCPUNIMDVGRG-UHFFFAOYSA-N 450.314 0.822 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1ccccn1 523181899 KZOZZWDUDVXPOB-UHFFFAOYSA-N 468.560 0.200 30 20 JCED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cnc2n(C)c1=O 604167464 BZGMXHPZVICYKV-UHFFFAOYSA-N 475.509 0.177 30 20 JCED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)cn1 726112218 NOURTKFWWGIJNW-SFHVURJKSA-N 497.581 0.743 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 729672978 AYVAJRPQFNULNA-UHFFFAOYSA-N 459.593 0.825 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)c1 857836111 KKVVRMNAZZSKLT-INIZCTEOSA-N 457.512 0.282 30 20 JCED N#CCc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 912685448 JZVXQHWKRKVPQL-UHFFFAOYSA-N 456.480 0.669 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3c(O)nc4ccccc4c3=O)CC2)o1 915403122 KNKSAPTZQUCBEI-UHFFFAOYSA-N 452.427 0.162 30 20 JCED CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1313999489 NAJHYQFUUZMACM-QHCPKHFHSA-N 468.562 0.647 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1610131525 YTNKDRVXSVAQNA-UHFFFAOYSA-N 480.573 0.322 30 20 JCED COCCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1619762900 JAKDLXQDMRBSDY-HOTGVXAUSA-N 456.569 0.402 30 20 JCED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C 1693773584 KTJNLDSBPCNPLA-WBVHZDCISA-N 457.560 0.765 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2S(=O)(=O)N(C)C)CCOC1 1696100378 ZYCGZZKHJHEXBR-PGRDOPGGSA-N 490.586 0.958 30 20 JCED COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1697048732 KGZHYYMRYSDDPH-KRWDZBQOSA-N 459.528 0.756 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nnc2n1CCCCC2 1706871341 OGMJXYVGHZQGNV-FZKQIMNGSA-N 451.532 0.696 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N2CCOCC2)CC1 1741931619 QVCRVFXHALHASG-LPHOPBHVSA-N 451.597 0.883 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1768303620 YTBRXMINQDXHCT-HNNXBMFYSA-N 461.548 0.335 30 20 JCED CNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769088762 DBEDEEJYCUMHIR-INIZCTEOSA-N 451.535 0.874 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779074388 QBLPSKBDGWYQFQ-WMZHIEFXSA-N 464.515 0.010 30 20 JCED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1780539473 RUWAAICSNSGARV-WAIKUNEKSA-N 474.583 0.931 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1781295760 PJXJABUYRMOYPG-MWTRTKDXSA-N 496.561 0.219 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1781965471 CEJFMCPHOZXTLX-YGKZAACZSA-N 475.542 0.845 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)CN4C(=O)C=CC4=O)C3)c2c1 1782316450 CHPMEHQOGMZKIW-HOYKHHGWSA-N 476.493 0.487 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)CCO2 1783901244 WTNQNLHKGDQBTC-YBERMKTASA-N 496.630 0.508 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)CCO2 1783905595 IDVPHKUPVBGHIC-DEOSSOPVSA-N 466.542 0.813 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c(O)n1 1783924205 SWSDEYFWGCCCTR-DHIUTWEWSA-N 461.515 0.965 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1787422143 YDBFDNQIPPWNOU-XSLAGTTESA-N 450.536 0.906 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOC)C[C@@H]21 1792257589 GCEHAVZQLVUVFH-OKYOBFRVSA-N 467.563 0.546 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792560182 JMRMSGKRPVNTGK-SRYPRDQNSA-N 486.569 0.966 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792835468 VJZHYDUQGRRTOH-REGYPHIPSA-N 467.975 0.609 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1793334533 FAKOCTSQKZRDJD-FCGDIQPGSA-N 472.542 0.943 30 20 JCED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2)C(=O)O 1795640216 LZKQLYOTORTIOA-YHYOWMERSA-N 469.420 0.238 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)[C@@H](O)C1 1797309454 BBXDPBDJMTXEBR-JFQQFOBUSA-N 475.586 0.997 30 20 JCED CCOC(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)CC1 1797818192 KDUHCXFXVGECIV-QMACGRLNSA-N 480.562 0.974 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1799365570 KKANROOHLFESDO-SRYPRDQNSA-N 471.554 0.903 30 20 JCED COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2 1799383667 BZFQDWOKJFLGOC-KOUHRCEDSA-N 476.636 0.617 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C(\C)NC(C)=O 1800174814 HXGHCASBEDECLN-CMDIRVKSSA-N 462.547 0.533 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1ccco1 1800781243 RJTXRDDBTCIHRN-YJXLLHPSSA-N 475.498 0.913 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801002959 NZWONOKXJMHENW-BBPSPNIXSA-N 483.562 0.661 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CSCC(=O)OC)[C@@H]1c1cccnc1 1802478321 RYIYRFFCACIFNZ-MIPIJZKVSA-N 460.556 0.852 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@H]2c2cccnc2)cc1 1802575791 KYHJDFLBEGLFBG-DHLKQENFSA-N 495.605 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1803500865 ABOCFOBVXPKMQN-YIBVTQAGSA-N 477.587 0.274 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1803600561 BMLLKFAIEWXBCC-XYPHTWIQSA-N 456.532 0.482 30 20 JCED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1806617419 LTWNKFYRXAFCLB-AVRDEDQJSA-N 468.477 0.579 30 20 JCED Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)n(-c2cccc(=O)n2C)n1 1807742618 LWWWUALYDMYJMQ-UUOWRZLLSA-N 488.504 0.682 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808737294 ZVXWFSMQVYPBGT-LZJOCLMNSA-N 474.514 0.451 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1)[C@H](O)N1CCOCC1 1810354057 NLYDMXPDVAGTBR-FJIJXJHWSA-N 470.570 0.437 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1814437248 OPPNLFNNKHCCCY-XHPSBEMXSA-N 465.474 0.305 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3n(n2)CCCNC3=O)n[nH]1 1818972907 BGCZLPNTXVPNIY-ZPUOCTKUSA-N 480.529 0.904 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[nH]n1 1822201689 QGTYYWVMAUCXJF-AWEZNQCLSA-N 474.437 0.688 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803739 IKRUMBIHFCMFJT-LUJYGJGBSA-N 457.512 0.803 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1828806627 XVOKCHUUZIEGQZ-JPYJTQIMSA-N 453.499 0.631 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCN2C(=O)OCc1ccccc1 1828930593 KOOQFIYUKPMYMS-XMMPIXPASA-N 467.526 0.975 30 20 JCED CC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC#N)C2)C1 1829301757 WJOPODZCJOCTSB-HSZRJFAPSA-N 455.515 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1OCC)CCO2 1829535812 DCHLAUDERXQWGC-XBKFQHLESA-N 458.515 0.409 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1829759605 IRMIETJUXPHUBJ-RMUOZIPVSA-N 450.442 0.288 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1829766418 XXYARGZCCBDLPP-XLQQFJOYSA-N 465.510 0.558 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c1 1830460471 NNVBPKBSOCCRKQ-XMYAASDLSA-N 466.538 0.782 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209607 YZGIVTFBZKRHKU-DVECYGJZSA-N 477.558 0.492 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1831998317 MMWWGHHTWHUFAZ-UZUQRXQVSA-N 477.562 0.960 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833611219 SGOIMGKHOMPULT-LJQANCHMSA-N 492.573 0.282 30 20 JCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)CS(=O)(=O)N4CCCC4)CC3)CC2)CC1 1834599697 LGYXYOAOFUIZLH-UHFFFAOYSA-N 451.593 0.287 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCOCC2)CCO3)c1 1835393048 PDEAVPMMJRXIQW-DEOSSOPVSA-N 456.543 0.279 30 20 JCED N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccccn1 1835700836 AVXUDUPDTJTGCK-QPPBQGQZSA-N 456.543 0.236 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1835748141 MCANXWNZIWODHO-LJQANCHMSA-N 458.603 0.783 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836161469 IXFOFRLQBALRIB-NBGIEHNGSA-N 486.569 0.997 30 20 JCED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1836881320 SCLBPDGJAQYQQL-KRWDZBQOSA-N 451.526 0.664 30 20 JCED O=C(/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)NC1CC1 1837247624 XOQSNZQVFUJOLM-NECUJFQYSA-N 471.941 0.983 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837318566 UUNWZGRCXPCVOP-NWCXIPMVSA-N 481.424 0.077 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1837447289 WWBPDANCPUEZBH-HBAGGBEISA-N 454.531 0.876 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837527893 ZMEVECCUGVISBF-RWTMDTCBSA-N 472.502 0.328 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837562468 LEFNBKRHAWKGSC-FFCJBUTOSA-N 459.528 0.737 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837646744 BRBQUEXKCPKYGO-FDDCHVKYSA-N 452.515 0.750 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)cc2NC1=O 1838589422 OZGJNPJUFMKWEL-IZHWHUGBSA-N 479.493 0.990 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccn(C)n4)C3)C2)c(C#N)c1 1839131635 PDCCEIVKZHXOLF-HSZRJFAPSA-N 453.499 0.613 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4c(C)noc4N)C3)C2)c(C#N)c1 1839131982 LCWMNBHVXNCXIY-QHCPKHFHSA-N 469.498 0.758 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1839173963 XWFGUPNTPWOQFS-VWLOTQADSA-N 498.536 0.745 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1839176219 BVDOXBYDTFVSBV-QFIPXVFZSA-N 462.503 0.245 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n1 1839225629 ORDWPVAZFRHXKY-YCRPNKLZSA-N 479.490 0.869 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CN(CC)CC)CCO2 1839674232 OZHPBKFBXJUYEZ-AADRGNLSSA-N 450.580 0.279 30 20 JCED CC(C)(C)n1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1Cl 1840041002 KJXRRSONMWABCY-HXUWFJFHSA-N 452.895 0.450 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1840218452 GWFHBXCUIAFBHP-PKTZIBPZSA-N 480.562 0.364 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCS(C)(=O)=O)C3)C2)cc1C#N 1840764201 NWKIPJCDHUHRMF-QHCPKHFHSA-N 493.582 0.850 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1840908731 OYMAXQJIOHQTEM-IUKKYPGJSA-N 490.561 0.212 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN(C)C)C1 1842681171 VLZPCOZAIDJDNM-INIZCTEOSA-N 467.567 0.557 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@H](COC)NC(C)=O)C3)N(C(=O)OC(C)(C)C)C1 1846449628 YDZNCGMDJFAERA-ROUUACIJSA-N 464.563 0.907 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1847081051 FYKMFIWMDYBDEM-JLCFBVMHSA-N 461.519 0.211 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)N1CCOCC1 1847939854 JALRYOMJCCRHEW-DFEOGRTESA-N 452.552 0.308 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3nc(S(C)(=O)=O)n[nH]3)nnc12 492442985 HTFUXLCJIBCYMH-UHFFFAOYSA-N 460.501 0.483 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)sc(=Cc2ccnn2C)c1=O 502018721 UFEMLYHZRRSERZ-UHFFFAOYSA-N 481.578 0.932 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)CC2)c1 517119302 MDXPIZITPGADOQ-UHFFFAOYSA-N 472.502 0.920 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cccc4c3OCCO4)c2=O)cn1 522389266 ATEBVZITLGCPFW-UHFFFAOYSA-N 481.534 0.152 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 608828469 VQIRMSKHXPOGEH-UHFFFAOYSA-N 474.542 0.668 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC(N)=O)c2=O)cc1 608911480 HIAGSKUKTUEQFQ-UHFFFAOYSA-N 477.498 0.576 30 20 JCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccc(OC)n2)C1=O 726403229 JKCKZMYHOXYCOA-MLVIZHJXSA-N 477.568 0.874 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCS(C)(=O)=O 729671644 SGLNYUYHRAWAOX-UHFFFAOYSA-N 485.534 0.583 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(NC(N)=O)cc2)CC1 748666955 GPPWRUGCRMAGLN-UHFFFAOYSA-N 471.495 0.739 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 831244164 ZGUDGNNMHYKJJM-UONOGXRCSA-N 451.501 0.459 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1OC 916922972 HNLVKYNURHELJJ-YESZJQIVSA-N 477.539 0.107 30 20 JCED CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918424415 UOMCVBVBVNXDIU-FVOSJULTSA-N 454.549 0.588 30 20 JCED CC(C)c1c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnc2ncnn12 919271647 QPWUPHKMLUTATK-UHFFFAOYSA-N 497.537 0.809 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CC(=O)N3CCOCC3)CC2)c1C#N 1304731018 KZCAJZTVKWBWBA-UHFFFAOYSA-N 469.594 0.966 30 20 JCED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1519515124 YSVSTZRVOFQLIC-KRWDZBQOSA-N 464.573 0.476 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1610305290 QXDYSYBDHAMSIM-MRXNPFEDSA-N 458.610 0.638 30 20 JCED CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1618507681 XDNDQOUENBRSGV-UHFFFAOYSA-N 464.574 0.990 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCC(=O)N(C)C 1723952659 MWXUKFJRLVVDID-QGZVFWFLSA-N 488.618 0.560 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1730423181 SSRNLBVCAPMHMJ-UHFFFAOYSA-N 494.600 0.712 30 20 JCED COCCN1C[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C)(C#N)CC2)CC1=O 1749863928 GVDSOMADWHVGTG-DLBZAZTESA-N 464.592 0.805 30 20 JCED CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1768231908 PUFFEUSRMLUJPL-UHFFFAOYSA-N 460.560 0.937 30 20 JCED COCC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769561123 RIMTYCBSYZDKCI-SYNHAJSKSA-N 452.581 0.144 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1nc[nH]c1[N+](=O)[O-] 1778059718 KRBXKRGSNOUCMN-BTXBEIMCSA-N 464.479 0.974 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)OC)CCO2)C1 1778922226 YENYEXZFIAYYJN-YGKZAACZSA-N 498.577 0.657 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1779317217 CKDXQLIUEATVEK-RXVVDRJESA-N 493.358 0.915 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)C2(N4CCN(C)CC4)CC2)CCO3)c1 1780172870 ISUDCINUAVLWJU-DEOSSOPVSA-N 467.570 0.790 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2 1780753578 SXTMMLZVUINEJH-SEPYTNNBSA-N 480.610 0.843 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1781293744 APVMHKHPURLXQC-WXVUKLJWSA-N 496.605 0.326 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1781294717 IECPADOTRSOITA-MZNJEOGPSA-N 490.557 0.601 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1)C(=O)O 1781902881 PRYPAHONMJAVNU-OXJNMPFZSA-N 479.331 0.827 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc6n(n5)CCCNC6=O)CCO4)C3)c2c1 1782194562 DSSLAIZJPQVLGO-DEOSSOPVSA-N 488.508 0.522 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)[C@H](O)C1 1783478899 VEQUBYKZYBJFKJ-APAFKAMOSA-N 464.563 0.888 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)=NO2)C1 1783566256 SADXQTWJFCZWIN-PKTZIBPZSA-N 490.513 0.060 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)NC3)CCO2)C1)C(C)(C)S 1783779216 BFPRJEKTBBZCDJ-YAEBDLLGSA-N 498.646 0.944 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3c(I)cnn3C)CCO2)C1 1783892512 BXZACSVFJKNVTQ-MEBBXXQBSA-N 464.329 0.787 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1784536749 ARRKHUBUHGXQOZ-MBGYTDRXSA-N 466.629 0.826 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1786560092 JMTAIQHWCFJQMB-VTRWRZSMSA-N 454.552 0.820 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1787393235 BJESFLYWTUFBJQ-TUFLPTIASA-N 471.554 0.903 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)[C@H](C3CCOCC3)C(=O)N4)[C@H]2C1 1788259029 ZDEPOGGEVXMABR-FSJWIPBVSA-N 495.532 0.830 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788504262 PLHMULSDJAGFFL-QAETUUGQSA-N 491.593 0.769 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)[C@H](C)S)C[C@@H]31)C2 1790689117 YQUNRSPGQILIPL-DNCCFGNJSA-N 464.588 0.920 30 20 JCED CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2ccc(C#N)cc2)CC1 1792423421 MCUHJJWQEPXABF-BRTYFSMRSA-N 453.587 0.718 30 20 JCED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccc(Cl)cc2)c(=O)nc1O 1792838805 BCXDGHKTSHSXNE-UPHUGPLXSA-N 470.913 0.552 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2)Cc1ccc(C#N)cc1 1793872807 VDDZWGLVIHMCPR-VLVHOKLOSA-N 485.585 0.932 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCNC(=O)c2ccc[nH]2)c1 1794035305 BRZNAUHGJUUWRW-OPMZPASUSA-N 465.510 0.918 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cc1 1795600628 BGEFGJLMRPBLFR-HATOLVCRSA-N 490.626 0.894 30 20 JCED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1796043115 NQCLEJNZILKFFZ-REPLKXPHSA-N 481.601 0.942 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N(C)C(C)=O 1796450679 LSACSXXPLNAUMJ-IQZDNPOKSA-N 466.579 0.912 30 20 JCED CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)nc1C(F)(F)F)C(=O)C(=O)O 1796460496 XZJZSFAUZINZPE-CLLJXQQHSA-N 467.404 0.767 30 20 JCED Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3(O)CCCCC3)C4)c(C)n2n1 1796926403 RUVMODHQHPXJDK-OPMZPASUSA-N 466.542 0.643 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc5ncccn5n3)C4)c2c1 1799882544 VEYJCJABOPORFX-YVWYUNDQSA-N 456.466 0.994 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CC(C(=O)OC)(C1)C2 1800706435 IIXKXLAEVKKTBL-WMYAUZDLSA-N 489.569 0.836 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778784 QOCGXGMHRQWWLW-JQTNSZOMSA-N 475.542 0.603 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1800987074 FUYGZMYCBWCLGB-VIQHNZTISA-N 469.604 0.920 30 20 JCED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)c(=O)nc1O 1801971519 PCKSGSBKEMRYBZ-UPHUGPLXSA-N 469.473 0.100 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1802481583 KTEKGKLRLMJTBH-CHBUMTKESA-N 477.525 0.200 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815850913 CJVICHVMDNGNHO-QWRGUYRKSA-N 463.541 0.559 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1820940575 JDBXLXJYZGAKHE-CABCVRRESA-N 463.491 0.766 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CNCP(=O)(O)O)CC3)c(C#N)c1 1822807702 KSHSKYXKPJLRMX-AWEZNQCLSA-N 493.482 0.903 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828924874 HNAQIHRCZIYAKD-SQJMNOBHSA-N 499.568 0.893 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829532267 OMYGLKAXVCAQQU-ZSSPPZGKSA-N 468.457 0.959 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)cc1 1829631166 HEGJYSUZMOGSBF-QFIPXVFZSA-N 459.572 0.964 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)c(OC)c3)C2)C1 1829769450 SRDUBIKOXDMXPC-IBLIISRWSA-N 457.527 0.932 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830050139 KJOIGMOJIUPXQR-GAJHUEQPSA-N 480.562 0.628 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830472129 DSJLKQVJIANCKG-NRFANRHFSA-N 468.959 0.583 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830882440 SZARDBJZXCCHTE-VGSWGCGISA-N 487.619 0.638 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccnc1 1830982963 IASBMILWITVKPV-WAIKUNEKSA-N 463.498 0.962 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(C(F)(F)F)cn4n3)C2)C1 1831394139 XGTYBKDRBQGRTL-VFNWGFHPSA-N 495.458 0.856 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 1831397897 ZHHOWSTWYHJRNL-NTKDMRAZSA-N 452.511 0.981 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1832000131 HVZGPAUJJWDXKZ-HOYKHHGWSA-N 496.605 0.684 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833235817 UKEHMTVZWGVWEU-UZUQRXQVSA-N 492.577 0.745 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CC2)CC1 1833464601 JYKRUPFQYMDZFD-GOSISDBHSA-N 490.626 0.850 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c(O)n1 1833696269 YEQOOFCLBRNJMX-HTAPYJJXSA-N 460.487 0.084 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)c1 1833828270 WNOLNEUQLDSLLU-QHCPKHFHSA-N 451.483 0.757 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)n5[nH]nnc5n4)CC3)CC2)c1 1834973406 XQBUASDBAJZNRM-UHFFFAOYSA-N 493.503 0.322 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CCN3Cc4ccccc4C3=O)CC2)CC1 1835457560 NVZIGJZIMLRGKQ-UHFFFAOYSA-N 466.538 0.692 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3CNc4ccccc4O3)C2)C1 1835677265 DFTMOJGAUKCPKE-UQBPGWFLSA-N 485.585 0.988 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC)CCO2 1835903842 FVHYRZSLCKWGBV-IEGUWTFLSA-N 468.595 0.910 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1=O 1837443937 NHIDVKUBDNVLQM-ZVWIGDQWSA-N 483.525 0.363 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837489308 CQQJDTXJCXYFIN-XMMPIXPASA-N 467.526 0.727 30 20 JCED CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527322 LHUKSAQPBQWQIG-KHLOOKIASA-N 463.535 0.810 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1)c1ccccc1 1837612984 QSYCFFYUKIAGNX-BPYKYCOYSA-N 471.554 0.703 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837841819 AWHUOSLNGIRCTK-SFHVURJKSA-N 452.552 0.087 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838418886 WONOTTWUFFWKKM-KSFYIVLOSA-N 476.555 0.399 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838436503 ISSIMGWAFMIPKB-MWTRTKDXSA-N 458.515 0.940 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)c1 1838642903 RHGNYTGGQODNAU-QMHKHESXSA-N 451.483 0.781 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736842 AOGIUHWGDLGQNB-IBGZPJMESA-N 477.319 0.766 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)cc1 1838798128 DOXNLBCGVQZFEQ-HSZRJFAPSA-N 454.483 0.741 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1839204014 DNUDCGKWLHGCHV-NXMSCROESA-N 499.605 0.292 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839210192 HIJPSNFYDQOTRM-SBUREZEXSA-N 491.545 0.232 30 20 JCED COc1cc2c(O)cccc2cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839563039 LQGJMPIAWBBPCR-DEOSSOPVSA-N 468.462 0.712 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839624787 PDIRUXXNRWGZOX-YVECZINYSA-N 490.492 0.467 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)c1cccs1 1839663990 DQYAXRCVDHBSAT-SIAOZKNOSA-N 472.523 0.200 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1839839913 QDNNJTMQXCZMPC-NXHTTZLHSA-N 460.531 0.661 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839960225 HFLPPYKKFJYBJY-RDPSFJRHSA-N 460.527 0.556 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccc(Br)cc4n3)C2)C1 1840042948 YBRDFHDCWMAFPQ-HXUWFJFHSA-N 491.298 0.255 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1Br 1840043392 VJRRYYGALXLRPV-FQEVSTJZSA-N 465.300 0.916 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044955 JPNGUKQJFVXTIX-YTZAWJCFSA-N 493.557 0.614 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)cc1C#N 1840764062 HGIMJNHHBSUOEK-RUZDIDTESA-N 496.520 0.340 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1840795488 LCANBSGVNPMQQN-IUKKYPGJSA-N 482.578 0.437 30 20 JCED COCCOCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814945 NWDLBXQOJVCUBD-DEOSSOPVSA-N 497.589 0.223 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)C2 1841055872 AZTPLHZIYJTVFV-YHWKNFMLSA-N 460.531 0.974 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)[C@@H](O)C1 1845106918 KIARHYFJODBGPH-XUYLAZSVSA-N 463.579 0.889 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2C(=O)N1CCCC12CN(C(=O)CC#N)C2 1846118914 KCXGVTSIJSMRSX-MRXNPFEDSA-N 459.547 0.867 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196664 BBHWDRHEBHAHFU-DEOSSOPVSA-N 455.511 0.543 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2)C(C)(C)S 1846301681 JSDIBJMFCVOLTH-NVXWUHKLSA-N 486.635 0.442 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCCOCCNC(=O)OC(C)(C)C 1847258749 FMSJBXNZYZAWFF-RJCMGOLDSA-N 494.589 0.605 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)CN1 1847684971 VCBSNJXENMJFLV-CUUWFGFTSA-N 497.596 0.919 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1 18038920 VAFVHLIIXMBJEA-UHFFFAOYSA-N 462.553 0.760 30 20 JCED C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 24138746 XCHNDUUVYTULAS-HSZRJFAPSA-N 499.524 0.997 30 20 JCED COC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 517189205 QGBQTQUKMDAVGA-UHFFFAOYSA-N 474.470 0.956 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccn3)c2=O)cc1 522388279 DOLGCUUDQVNKCH-UHFFFAOYSA-N 476.558 0.918 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1OC 590997281 ASKHBRXZSOXIEQ-UHFFFAOYSA-N 484.578 0.213 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] 608888282 FYUGQZKIWAEMGX-UHFFFAOYSA-N 487.494 0.738 30 20 JCED Cc1cc(NC(=O)CN2CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC2)no1 725769338 TWYCLCLFHXXPCT-QFIPXVFZSA-N 451.487 0.836 30 20 JCED Cn1nc(Br)c2c(=O)n(CC(=O)OCC(=O)N(CC#N)c3ccccc3)cnc21 727221700 XMTINXJDYNTCSV-UHFFFAOYSA-N 459.260 0.992 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 728533190 CJFMLNDUTYZPMF-LJQANCHMSA-N 477.543 0.032 30 20 JCED CSc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1 729673192 HKEQOJZCLCRBPO-UHFFFAOYSA-N 477.633 0.802 30 20 JCED CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 730897650 MFVHZYVVGWVXPY-CLCOLTQESA-N 478.575 0.702 30 20 JCED CCN1CCN(C(=O)CC2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 731181519 OIMQYVDKNAKYKO-UHFFFAOYSA-N 461.588 0.518 30 20 JCED COCCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCOC)c2=O)c1C 838203134 ZHURVYVAQQRJAH-UHFFFAOYSA-N 460.600 0.896 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccc1 839244847 LHJDXFGKVFTYBT-UHFFFAOYSA-N 465.579 0.932 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2)o1 914684654 MYGCHXMQGDNFNM-UHFFFAOYSA-N 461.500 0.611 30 20 JCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 915785026 AGUUAPWQAYYWPS-UHFFFAOYSA-N 455.500 0.591 30 20 JCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 917035513 PSABUYXYPISOFF-IBGZPJMESA-N 474.539 0.736 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnnn3-c3ccccc3)CC2)cc1 1208271537 IUNPJIROYGMCMU-UHFFFAOYSA-N 458.525 0.834 30 20 JCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1296295067 YTKMNLZWMMZUGA-KDOFPFPSSA-N 458.544 0.887 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)NC1CCCCC1 1360708046 PIFJXZRJCCMDBE-LPHOPBHVSA-N 492.650 0.904 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1503274169 VTNLFCZZOJUYAA-UHFFFAOYSA-N 455.548 0.902 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCOC1=O 1509958497 ZKAQZBIGIWSGSV-LSDHHAIUSA-N 455.541 0.192 30 20 JCED COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1517684172 SFIGOLYVVDJBGA-FQEVSTJZSA-N 481.557 0.892 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1547475182 MHWBXDQAVBZSHS-XMMPIXPASA-N 467.574 0.959 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C 1589406376 WWULGENBIUEOAE-QWHCGFSZSA-N 477.385 0.187 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1COCCO1 1611713672 MIEPJBPGPOETOW-KFKAGJAMSA-N 476.559 0.753 30 20 JCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@](F)(C#N)C1 1625264674 LQQCZIYVOVVPLB-GOEBONIOSA-N 451.929 0.886 30 20 JCED CN(C)[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 1729326635 WDTSEAYJPLXVAB-IPELMVKDSA-N 487.627 0.490 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1731191117 ZACSMHXGDAOBRT-TZMCWYRMSA-N 475.497 0.035 30 20 JCED C[C@H]1CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1743341065 OQUQLPYOJMBCIL-NSHGMRRFSA-N 495.650 0.850 30 20 JCED Cc1ccc(OCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1751579553 TVCZIFHHOJROQO-MOPGFXCFSA-N 476.559 0.727 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1763269072 ISVOOZKWDUZAHC-GAJHUEQPSA-N 453.547 0.567 30 20 JCED CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1767430571 UYIVVGZJOMCANS-VQTJNVASSA-N 453.565 0.610 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CCO1 1767712395 IKSYIOYEUOMVFN-LJQANCHMSA-N 453.547 0.879 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1=O 1771127174 SCPIXBVBSSUXIC-MJGOQNOKSA-N 472.571 0.935 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)c2C1 1778368005 BBMFTUJQHYBQDX-JOCHJYFZSA-N 473.534 0.776 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778939604 KJBBCVPSJGHLCR-OYHNWAKOSA-N 463.535 0.552 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)Cc2ccc(F)c(C#N)c2)CCO3)no1 1779123745 USQDEDBVKIPYQQ-HSZRJFAPSA-N 469.473 0.796 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1779180171 KSJVNZPYUXUUIK-WNSKOXEYSA-N 466.473 0.749 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCO)C1 1780769746 MBABNKCSUBWZDO-MCJPXMOYSA-N 481.590 0.979 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)c(C(F)(F)F)n1 1782674135 ASRSIZDHKQJVIW-FQEVSTJZSA-N 492.414 0.990 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@]3(C1)CN(C(=O)C1(C#N)CC1)CCO3)C2 1782851614 IIHMCOUQVRNSGV-MWTRTKDXSA-N 455.515 0.756 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CCO2 1783114898 STKRUJVOTBQHDJ-FSTVOOFJSA-N 464.588 0.209 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1783600667 LULWJHISDVYLFY-QRQCRPRQSA-N 466.535 0.822 30 20 JCED CC(C)[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1783762134 DNMFFYMAMCSJOB-OPAMFIHVSA-N 451.520 0.844 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1783990512 QHACRLYVHVUYLG-BURNTYAHSA-N 486.569 0.966 30 20 JCED COc1cc(Br)ccc1CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784121313 KTUCIPFLQCHGOB-HXUWFJFHSA-N 465.300 0.918 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1785573003 UTPGWYPOMUVKJA-KSFYIVLOSA-N 483.587 0.639 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nccnc4C(N)=O)C[C@@H]32)c(O)n1 1785773976 CVDWFFWNKRMSIU-WBAXXEDZSA-N 480.525 0.702 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)n(C)c1=O 1787885599 SITRULBICJIAEN-UHFFFAOYSA-N 463.498 0.872 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1788678471 AVWAENSZEUDAGX-NIVWYHDLSA-N 468.514 0.322 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789709580 BQWNXTOYCXADLX-DKIMLUQUSA-N 476.599 0.444 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1791543520 BGVPIEKZUAKPGS-VHHKXPHXSA-N 482.516 0.761 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc(F)c(C#N)c4)C[C@@H]32)c(=O)nc1O 1792132609 ANGHPFLCMFAORM-QRFRQXIXSA-N 483.500 0.491 30 20 JCED Cn1ncc(I)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792631277 MEVMABJMNSYPNM-PTEHBNRSSA-N 471.299 0.778 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)c2ccccc2OC)C1 1792814971 GBIUNACLPWNUCH-BBIADKPPSA-N 499.564 0.866 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@H]1SC(=N)NC1=O 1796426602 LGVWLQDIQUCSDR-DMHIMHRUSA-N 462.572 0.077 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1797208558 PDOMUZFGBGKNCI-RUEZSYAVSA-N 467.494 0.259 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2)c1ccccc1 1797879709 JYNWIVRTCZVGPN-RCLSDMTESA-N 455.511 0.316 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C[C@H]2OCC[C@H]21 1800763293 GZXFODWLVLLQJL-XDBFUARMSA-N 491.541 0.079 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1800989267 IMXPGHIRTSMMBL-IBEHDNSVSA-N 493.648 0.222 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 1801865677 DZVPHTGERORJNT-OPMZPASUSA-N 479.537 0.601 30 20 JCED COC(=O)[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O)NC(=O)OC(C)(C)C 1801993408 SXAVHEUDTCOLRI-LXTVHRRPSA-N 451.476 0.169 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1802126825 NBYVDLPMNGUHDE-LXTVHRRPSA-N 476.490 0.438 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@@H]3c3cccnc3)c2c1 1807705408 DWCJOWHUXTVDSP-TZLLFPAYSA-N 459.510 0.872 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C#CC3(O)CCCCC3)[C@@H]2c2cccnc2)CC1 1810329308 PACAVIQCRUNOQF-BVAGGSTKSA-N 495.624 0.950 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=N/N2CCCCC2)CC3)CC1 1818895364 SBYXGLBVUSALAM-QIWJOQEQSA-N 475.619 0.691 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)NCCC#N)[nH]n2)CC1 1818965095 CXOATPUHQGVJQE-IBGZPJMESA-N 472.594 0.848 30 20 JCED Cc1cc(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n[nH]1 1829133101 NLCOEPSSUPWQNO-RUZDIDTESA-N 493.520 0.801 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCN2C(=O)OCc1ccccc1 1829391327 JEXJIYHAZQOWJT-FDDCHVKYSA-N 450.499 0.924 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(C)cc3)C2)C1 1829765504 YNFRAXQVDNWJTA-HMLKYZKVSA-N 457.527 0.689 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])c(O)cc3C)C2)C1 1829771484 RMBOLGHMUUGNLH-VMXOYPLMSA-N 488.497 0.537 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C)nc3C)C2)C1 1829773322 HAQZKQFRJKGQOC-SOONCWKUSA-N 470.570 0.946 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cc1 1829904301 OBDJQPYSBWRQDI-OAQYLSRUSA-N 454.443 0.502 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)cc1 1830216232 APUXNULZUYKSFU-DHJUGAMNSA-N 463.531 0.986 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1830462768 MNTNWGKQZBANIQ-DEOSSOPVSA-N 465.510 0.204 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c1 1830464650 QHKZBKIFJYEQLM-HSZRJFAPSA-N 452.515 0.629 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1830882835 YABQCGDNEWNHSJ-QYWGDWMGSA-N 473.592 0.397 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1831428035 XRLXFINEPBFEQF-KOSHJBKYSA-N 472.542 0.388 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1831998989 VYTLJIFEJFEKAG-SBUREZEXSA-N 477.562 0.960 30 20 JCED O=C(CN1CCOCC1)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834621071 IHZIVPSQSPCFSX-UHFFFAOYSA-N 460.619 0.589 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)COC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1834979286 WJNHKXCACNZSJT-JTSKRJEESA-N 453.536 0.655 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)cc1C#N 1835261953 WFIVFILQXZHXLA-JOCHJYFZSA-N 479.555 0.460 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349462 DZSZILFJCBKSCO-HXOBKFHXSA-N 460.531 0.663 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)CC2)CC1 1835432091 DHXSNKPYAKPYKG-WOJBJXKFSA-N 462.591 0.809 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)cc(C(F)(F)F)c1 1835565776 NZNGIIFUTHNJIP-LAUBAEHRSA-N 497.474 0.240 30 20 JCED N=C(N)SCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835648422 VWKSJJIHDGVMMX-YADGQWAMSA-N 466.585 0.960 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc1 1837497250 TYZSTAZJQQRZCZ-HHHXNRCGSA-N 497.592 0.880 30 20 JCED Cc1onc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1C 1837526266 UAEQTWOTBBPGFM-DTXYYNOZSA-N 450.492 0.890 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1837526994 IANSBTUBSYHFRC-KDGIGMFRSA-N 450.467 0.820 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837608304 CSMGEJYFFPXMAT-AVRWGWEMSA-N 492.536 0.431 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1837735534 RDZDXZRGPKMMFS-QATBIIFWSA-N 472.542 0.535 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)Cn4cnnn4)CC3)CC2)c1 1837967856 VOXXIAFHAQUSSS-UHFFFAOYSA-N 453.503 0.866 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)NCC(C)C)C3)C2)c1 1838581731 LOJAHBSBXUGGJR-QHCPKHFHSA-N 458.515 0.409 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)ccc1F 1839189485 NTKXTSJFLODKGS-QFIPXVFZSA-N 456.478 0.378 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839387721 SCMDQEFQVDNFJT-DVECYGJZSA-N 488.541 0.666 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc(C(F)(F)F)c1 1839443415 GJXUEYPUUHHJDI-HXUWFJFHSA-N 465.384 0.735 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2)C(F)(F)F 1839693562 NIYQDFDYAMHLDZ-OAQYLSRUSA-N 468.476 0.958 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840075934 KIFKCKKFLNHLNF-RUZDIDTESA-N 489.569 0.627 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CSCC(=O)O)CCO3)cc1 1840190093 DSRCFORHLZLTRF-JOCHJYFZSA-N 461.540 0.765 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1)c1ccc(O)cc1 1840551288 UBRPIGUVUUJBOY-YKSBVNFPSA-N 492.594 0.780 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1)NC(=O)OC(C)(C)C 1840795855 GGFUYZOZZVNDFS-YDIMBITNSA-N 478.590 0.830 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840906504 DBXDAFGKDUJGHE-MHECFPHRSA-N 489.525 0.626 30 20 JCED CC(C)C(=O)NC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 60361163 YRSIAQODEFKUOW-IBGZPJMESA-N 475.615 0.875 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1cccc(OC)c1 489158302 QVPMVNRSLVUTMS-UHFFFAOYSA-N 493.541 0.960 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(C)ccc1C 502044760 OWBAKEYZIRDTPM-INIZCTEOSA-N 451.552 0.904 30 20 JCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 506544999 GYGNPKOHZCHHFO-IAGOWNOFSA-N 493.586 0.782 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1C1CCN(C)CC1 518712558 GTKHXAJVWYFXLU-UHFFFAOYSA-N 483.594 0.401 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1cc(OC)ccc1OC 608827240 HXYKONJYPLNNNG-UHFFFAOYSA-N 466.519 0.577 30 20 JCED CC(C)CN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 769216289 PKHHNBIEBQEZMA-INIZCTEOSA-N 471.557 0.051 30 20 JCED CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 821714980 UVTOBRPCRJAYOY-CYBMUJFWSA-N 451.501 0.459 30 20 JCED CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)ccc21 917986511 PZVBBSGWYSIYRK-UHFFFAOYSA-N 491.547 0.975 30 20 JCED N#Cc1cn(CCNC(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)c(=O)nc1O 1167523658 NGAIKQFVXPPGQM-OAHLLOKOSA-N 456.528 0.889 30 20 JCED CC(C)CN1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C1 1287738386 NXKMXXNNXMZANP-SQNIBIBYSA-N 453.613 0.985 30 20 JCED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1314950980 JWVLZIOJTKTGIM-DOTOQJQBSA-N 459.576 0.917 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1315073002 VLURGNXAJVRGJI-INIZCTEOSA-N 459.532 0.089 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)NC1CCCCC1 1360708048 PIFJXZRJCCMDBE-VQIMIIECSA-N 492.650 0.904 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC(=O)NCC(F)(F)F)cc1 1521111455 YJMXXROFVSHSCA-UHFFFAOYSA-N 451.409 0.734 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)CC1 1555818182 RDUKNCDQHQRVBH-UHFFFAOYSA-N 459.576 0.667 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CCN1S(C)(=O)=O 1555958818 APKYXPSERUDIDR-HRAATJIYSA-N 476.559 0.350 30 20 JCED Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)CC2=O)cn1 1711255878 NNENJMIBXKMAAF-UHFFFAOYSA-N 468.543 0.838 30 20 JCED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1726642025 UTHNEIZCTKCSHC-MRXNPFEDSA-N 467.530 0.678 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1729372804 IMUSDSSXJKNJPV-UHFFFAOYSA-N 467.530 0.361 30 20 JCED Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)n[nH]1 1742599275 OZYRPERNJUFOCV-UHFFFAOYSA-N 455.548 0.958 30 20 JCED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1750102854 VKVMKRRUTRXZMA-IAGOWNOFSA-N 490.586 0.845 30 20 JCED CN(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1766904394 NWQUEZRGEBANMB-APWZRJJASA-N 469.587 0.927 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CC)CCO2)C1 1778920861 GCPRWDBAYPBVRQ-SEPYTNNBSA-N 498.577 0.393 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)ccc1F 1780061021 WUQGNHQCIBUIHP-XMMPIXPASA-N 476.468 0.786 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1781089078 XLLGNFDITVYACA-NBGIEHNGSA-N 453.587 0.957 30 20 JCED Cn1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)C3)C2)n1 1781166776 ITKLLZOUETYKJB-QHCPKHFHSA-N 487.561 0.799 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1781270207 CBTMPKYLKNYNQR-HSZRJFAPSA-N 460.531 0.626 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1781862324 ZKUHXAIKMLBFKY-WZONZLPQSA-N 484.513 0.721 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1782937354 JZQMHTBRHZYZDF-CFLDLGCGSA-N 498.552 0.980 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)CCC(N)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1783157361 AQAAFNGARFPLBK-AOMKIAJQSA-N 450.536 0.647 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C[C@@H]21 1783528249 JMPPPAFUGQPFKJ-HLPXXCTFSA-N 464.563 0.738 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1)n1cnnn1 1783782269 SBSRGTSPJXHCLC-VTJXTGGHSA-N 497.622 0.666 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc(Br)ccc3[N+](=O)[O-])[C@H]2C1 1783975224 IOGAQGZQFZIFSK-NUTKFTJISA-N 494.298 0.968 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4nccnc4CN3C(=O)OC(C)(C)C)C2)C1 1784355999 MUVSWGXDSRETEY-FDDCHVKYSA-N 455.515 0.602 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)CC)[C@H]2C1 1784372704 KGNZQQQMZMSSQE-SPOLIRPYSA-N 478.590 0.797 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c1 1785076261 VTRFRJPZUCIEOF-QRWLVFNGSA-N 450.432 0.482 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(-c4cccc(F)c4)n3)[C@H]2C1 1785544108 XRKFGAUGRYJRAO-JUTDANKFSA-N 482.516 0.858 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1785729371 ZYUNTWVFUURKRY-FWXZJNEGSA-N 493.605 0.924 30 20 JCED Cn1c(=O)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)nc2ccccc21 1786858512 XSRMXXAQJARBNZ-ZWOKBUDYSA-N 480.569 0.809 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1nc2ccccn2n1 1787263133 VCXDLNGTVRCYBC-VKLMZGIUSA-N 456.503 0.852 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788258565 NIVUEIHZYFAMMB-SPEDKVCISA-N 492.536 0.561 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637380 QLSNOKFMHZMPAD-ORGXJRBJSA-N 450.532 0.281 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(=O)n4O)C[C@@H]32)c1 1789256933 ZZNDSDAUMBNYIN-QSFXBCCZSA-N 452.467 0.873 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(C)=O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1790847835 DHTVTNXSYXJLFM-VJANTYMQSA-N 464.563 0.668 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC=CC[C@H]3C(=O)OC)[C@H]2C1 1791229335 PGELBSOIZMGYGV-UPQKOEBJSA-N 459.543 0.580 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O)C2 1792491257 DQHMIRIANZDOCF-VZRFADDPSA-N 486.544 0.321 30 20 JCED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1792632465 YBESVHFMFCUZKB-PEGIJTEDSA-N 457.272 0.767 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)C2 1793359074 KEEBIWLVJQUFFW-GVJYWCCQSA-N 479.574 0.946 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1)NC(=O)OC(C)(C)C 1794594138 BNCROGCNGPBDKF-KYHPRHEASA-N 462.551 0.878 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)cc1 1795416028 LYQSRJUDEBNOSZ-IRJINJETSA-N 488.606 0.921 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O)c1ccc(O)cc1 1795637851 OOWHMRSGFAYDFL-SUYVIKNLSA-N 456.543 0.072 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-n3ccnc3)ccn1)C2 1797815240 MMMZPMYAHZDWOD-QUFBPKGLSA-N 468.514 1.000 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncc1O 1798026351 FDBLSUKFLAZACE-LORHWOILSA-N 458.515 0.907 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2cccnc2)C3)c(C#N)c1 1799239086 WWOYGIKBVFDEGZ-IRJINJETSA-N 477.521 0.524 30 20 JCED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2c(O)nc(NC(=O)C(C)C)nc21 1800345394 RGJMKVVHVBOGRY-XLMAVXFVSA-N 499.572 0.928 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C1(C#N)CCC1)C2 1801985350 SEBJDLJYCHUKRX-VXIBKDFQSA-N 469.542 0.906 30 20 JCED NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1807048095 OFKJFVNGJGLIMS-YXFXMCJTSA-N 460.535 0.209 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cnc2s1 1812877645 OGPZTEZSVUCQSK-BEFAXECRSA-N 465.491 0.867 30 20 JCED CN[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1)C(=O)O 1817367131 FVNGPIBSHVWPFY-HMVFOQEQSA-N 450.496 0.994 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824536391 NBWPWUBYSHSSII-ISUHZXHZSA-N 460.516 0.841 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)[C@@H](O)C1 1825660176 CFWJJKSDXXOJFM-IPYPFGDCSA-N 492.554 0.761 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828970647 MSLOMEPRXMBAJZ-PNXCTOMCSA-N 498.646 0.866 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828970649 MSLOMEPRXMBAJZ-ZOFUBUOUSA-N 498.646 0.866 30 20 JCED Cc1n[nH]cc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829178378 BKNPNQJRMGVJFN-XMMPIXPASA-N 479.493 0.872 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cccc3C=O)C2)C1 1829764854 ATHCFOXWBCHNKS-NBBDWSPISA-N 458.515 0.176 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1829771458 QODZRPYYUJBDOG-XLQQFJOYSA-N 465.510 0.558 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1830575048 QLEMWIVTBQMZCK-YADARESESA-N 488.541 0.514 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)CC2)ncn1 1830957444 JGLKKXVBZQIYIS-DEOSSOPVSA-N 484.557 0.462 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831146110 ZYYINDXNURQSIS-CJFMBICVSA-N 473.570 0.788 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831187696 GYDLEDZADYOKNL-WAIKUNEKSA-N 458.515 0.552 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831207502 ORUSXNRDYUPBEZ-XMMPIXPASA-N 472.542 0.700 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831340150 BJDLZEDFFBQZEQ-HXUWFJFHSA-N 469.947 0.716 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1831396537 NRVJWMJENXDPHY-MBSDFSHPSA-N 453.499 0.376 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1831399227 RYHNAHRVZUYUIY-QRQCRPRQSA-N 471.470 0.579 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1831425210 AHLBPNARWBHPPQ-NPMXOYFQSA-N 457.483 0.483 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cc(F)ccn1)CCO2 1832844363 PFKCKNLZDQXYNK-IUIUGSMNSA-N 460.506 0.468 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n(C)n1 1833446907 TYHYNYMUKDKKFO-QHCPKHFHSA-N 479.497 0.560 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834403649 MCNLEMWGAHQVRW-LJQANCHMSA-N 479.578 0.928 30 20 JCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835111389 DYPVQRZBIVDRAR-QAPCUYQASA-N 491.662 0.642 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(CCN4CCCC4)nc3)CC2)CC1 1835139192 SGCUHERIOGLFGZ-UHFFFAOYSA-N 481.597 0.993 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835341857 JTAPSRQTEYCLTA-SFHVURJKSA-N 452.309 0.556 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2)NC(=O)OC(C)(C)C 1836141184 ADUMNSDJIGSVNU-WZONZLPQSA-N 492.577 0.594 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc(C)cn4)CCO3)C2)c1 1836200083 HFMDVHCJGFDFDG-HSZRJFAPSA-N 453.499 0.842 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836213258 AXQFEYWVZYIMLF-NLSFWIRASA-N 490.561 0.204 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nc[nH]c3c1)CCO2 1836927406 ZCZVGTCTDDRLML-UZQCKINESA-N 453.499 0.491 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836987394 VMFNWPUFQFLUOW-HSZRJFAPSA-N 456.499 0.914 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(Cl)c5nncn5c4)CCO3)C2)c1 1837371401 VTGYRZMNFDHMTQ-NRFANRHFSA-N 469.889 0.966 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1837405051 GGQPNHHRRSXBFV-GAJHUEQPSA-N 469.579 0.931 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837531750 VYZMVJUZSYFZQT-UWNFHLEISA-N 491.545 0.524 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1ccccc1=O 1837690171 MKQWAJMZWIHAEB-KBMIEXCESA-N 480.521 0.816 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837972425 FAKLCCCTYNTFAM-QHCPKHFHSA-N 455.467 0.793 30 20 JCED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1OC 1838840912 NMDXZCSBYNLPNW-VUVXVLRYSA-N 492.529 0.698 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4csnn4)C3)C2)c(C#N)c1 1839131595 MZOTYHRRTZVAON-NRFANRHFSA-N 457.512 0.731 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839190892 JGIAPVXJLXDDCM-JHVJFLLYSA-N 473.592 0.445 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1839224787 ORXWSYYVVGCHKG-RIFZZMRRSA-N 453.565 0.270 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)CCO3)C2)c1 1839274299 QRIKJKABRYGISZ-OAQYLSRUSA-N 455.427 0.884 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)cc1 1839363566 XPUDTSLUEMLGIQ-QHCPKHFHSA-N 461.482 0.574 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1839363692 PXAPYGADAARKCJ-DENIHFKCSA-N 461.540 0.400 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](N)Cc5cscn5)C4)C3)c2c1 1839487952 NMNOVNFNPTYYOY-FDDCHVKYSA-N 495.565 0.531 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839571017 VUZXAKWAYSSHLF-QHCPKHFHSA-N 456.499 0.914 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839668558 ZFGJMVFXTDHJPA-QHCPKHFHSA-N 486.912 0.723 30 20 JCED CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(OC)cc4C#N)C3)C2)COC1 1839778348 UMHPXTZZFAVCRK-DEOSSOPVSA-N 457.527 0.992 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)C(=O)N4)C2)C1 1839808202 NLKDYDZTELPWQH-RDGATRHJSA-N 467.522 0.852 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)C1 1840159245 ZMGYKDYISNDNKD-QKKBWIMNSA-N 483.974 0.840 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1840162266 QWEKDDXYLXFEGN-XCLFUZPHSA-N 451.501 0.918 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1840165826 LJXVKAVGPMQATE-YJYMSZOUSA-N 460.549 0.618 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840457575 HFEQMHOZVMJJNE-XMMPIXPASA-N 456.543 0.564 30 20 JCED Cc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c1F 1840818629 MLXDOERKPVPKDM-JOCHJYFZSA-N 457.462 0.878 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1840819890 MHJBHKVKGMMQKM-QHCPKHFHSA-N 455.467 0.793 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1840913975 RWJCQMDWOQPYNI-ZERDBPEESA-N 479.574 0.949 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1840915658 RXTFFEJFSQCFPX-DGGJZMOXSA-N 482.578 0.424 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1)C(C)(C)S 1846034862 OFFPDIVDOYRVIL-QGZVFWFLSA-N 488.651 0.078 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N1CCCC13CN(C(=O)C1(C#N)CC1)C3)CCS2(=O)=O 1846141482 ZRMKOKSRBUGKQE-MRXNPFEDSA-N 492.598 0.918 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847749035 BMNFNFBLTBUXQO-BZSNNMDCSA-N 461.563 0.943 30 20 JCED CN1CCN(S(=O)(=O)c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 22966869 YKIVLKNNMLMXSO-UHFFFAOYSA-N 491.595 0.754 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1=O 23840457 XKPGAPPMMYYCPE-UHFFFAOYSA-N 497.577 0.661 30 20 JCED CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 410028995 KOBLQDCFUHOLRY-UHFFFAOYSA-N 462.553 0.955 30 20 JCED COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1[N+](=O)[O-] 498525544 KMZCUBDVONJYSF-UHFFFAOYSA-N 495.496 0.944 30 20 JCED C=CCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H](C)c1cccc(-n2cnnn2)c1 514348490 SQNRJJSCLHKZCZ-QUCCMNQESA-N 453.547 0.919 30 20 JCED C=CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H](C)c1cccc(-n2cnnn2)c1 514348491 SQNRJJSCLHKZCZ-UYAOXDASSA-N 453.547 0.919 30 20 JCED CN(CC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)S(=O)(=O)c1ccc(C#N)cc1 515486954 SCUNBDWJDAEXRT-UHFFFAOYSA-N 481.578 0.912 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)c1 518725100 AHHALCWFJAPPGO-UHFFFAOYSA-N 452.580 0.847 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 523080173 PPXNPHJAFRLHRJ-UHFFFAOYSA-N 464.525 0.278 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C)s2)c1=O 523744521 XJPDESFYMZDABO-UHFFFAOYSA-N 460.625 0.983 30 20 JCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 604043156 SEJAEYYSFMQHTD-OAHLLOKOSA-N 464.587 0.071 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CC(=O)N(C)C 604270509 URQOYDYEYPIRQK-UHFFFAOYSA-N 456.568 0.734 30 20 JCED CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCS(C)(=O)=O)c2=O)cc1 729673112 STQWPHBKJHXHDF-UHFFFAOYSA-N 489.619 0.440 30 20 JCED N#Cc1ccc(CC(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)cc1 750242578 QANVKVNQFUWAQO-UHFFFAOYSA-N 457.508 0.981 30 20 JCED COc1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1S(N)(=O)=O 915379179 XKFLGFWXVGAYJT-UHFFFAOYSA-N 463.472 0.016 30 20 JCED COCCCNC(=O)[C@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 916874967 IRGAOZNTAPNARX-QGZVFWFLSA-N 491.570 0.388 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1=O 917453718 LVVJBYXQLSUESJ-UHFFFAOYSA-N 477.468 0.561 30 20 JCED C[C@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 918816837 AXYDTQMERDGSNU-KRWDZBQOSA-N 490.582 0.877 30 20 JCED CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1299306016 KLZFGEKSOXWBNZ-UHFFFAOYSA-N 455.548 0.426 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1305314713 PNTFSCOUAXOAEP-NVALYEJGSA-N 453.613 0.862 30 20 JCED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 1309100139 MKWXBSLUGBMDOZ-UHFFFAOYSA-N 451.368 0.176 30 20 JCED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CCO1 1315938430 ZEEQAYQKKJUEMI-OAQYLSRUSA-N 453.547 0.832 30 20 JCED CC(C)C(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1359641821 XGXWAKNLYRBZKH-LJQANCHMSA-N 489.602 0.891 30 20 JCED CCN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)S(C)(=O)=O 1502183571 WQYDAOOZPGLEHP-KRWDZBQOSA-N 472.637 0.982 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1541881120 YHCMVMNOLOKLHM-XQBPLPMBSA-N 495.650 0.709 30 20 JCED C[C@H](O)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1692811608 IKDRWWVDZMCSMN-SNRMKQJTSA-N 476.559 0.441 30 20 JCED COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1698033737 ZLCARIFQGWDJFD-UHFFFAOYSA-N 467.578 0.572 30 20 JCED CO[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(C#N)cc2)CCOC1 1711628556 QWTUSLAARDEWQX-KNQAVFIVSA-N 490.586 0.925 30 20 JCED N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1731184049 ZDPYSUPBQYJDGP-OALUTQOASA-N 453.471 0.988 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1746135439 UAFZCLWWAUWRBP-UHFFFAOYSA-N 452.563 0.895 30 20 JCED CCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1746505751 RIJULWWDOZBESL-MSOLQXFVSA-N 458.544 0.707 30 20 JCED CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1750526987 VQGNGZOUKYWTIN-JXFKEZNVSA-N 485.586 0.164 30 20 JCED CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1769364354 OFESPWMEPLIPPI-UHFFFAOYSA-N 478.554 0.303 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1769896803 RERIKOGRRCDQKM-IBGZPJMESA-N 473.603 0.867 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1=O 1771138614 WILWJNPSAYZRFL-UHFFFAOYSA-N 473.559 0.147 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1779100901 GWGHZIUZMIMUBB-QNZROTIXSA-N 480.543 0.458 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780332854 GPUADKQCNRPNBU-TXBYWVTISA-N 473.530 0.700 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NC(C)=O)C2 1783268216 DRLOOBRTCLGPOD-HOBQYKGVSA-N 478.590 0.942 30 20 JCED CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)c2C1 1783561402 PYXGDFDTDVRFJG-QFIPXVFZSA-N 473.486 0.192 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1)C(C)(C)S 1783781273 GBFZDFXVEATNPP-QDOIMOTRSA-N 498.646 0.944 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1784309322 UGRZCAFSZYNELD-IVZHQMGZSA-N 467.592 0.994 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)NC(N)=O)C[C@@H]21 1784786555 ZPZXFVSTDJHSLR-TXTZMMAHSA-N 481.594 0.882 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785224011 XLAZKNFGKJFGER-MZNJEOGPSA-N 451.479 0.598 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2)NC(=O)OC(C)(C)C 1785304052 UZENFUPIGPQJET-KKSFZXQISA-N 473.592 0.720 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1785304990 QJLRJUWGEINETO-XLNZFTOWSA-N 496.605 0.827 30 20 JCED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785323364 GEBJCVNFBCAEAS-VBKZILBWSA-N 455.533 0.161 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CCSC)CCO2)C1 1785578078 VUDXWLDOXOZEOL-PNLZDCPESA-N 469.604 0.847 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1785631701 HGRIODRYNXNHAC-YCRPNKLZSA-N 451.524 0.050 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786843704 IDHZUMKWBXDJSE-VJANTYMQSA-N 492.621 0.666 30 20 JCED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1788521178 GNTXGSCWTMXCJV-YRPNKDGESA-N 453.605 0.465 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631659 SCOMVJHELBLGAE-LEAZDLGRSA-N 460.600 0.691 30 20 JCED CN(C)C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1789839810 LAPOEAMQYCDERK-BZSNNMDCSA-N 491.589 0.595 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@@H]21 1792261568 JRBMHQRSKMZDAE-DKKFBQAASA-N 489.573 0.939 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1793360713 YRVHPTPTJIOSDV-OGJJZOIMSA-N 483.562 0.624 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1793385324 JNOSMCBXGXYHCQ-UXDQUXDASA-N 459.609 0.806 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794113838 HYJYUBYHLIFUGJ-LTTGWXLMSA-N 493.520 0.533 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccccc2)C1 1795278163 PUWUTPRFSXPMDM-RVNGOIKDSA-N 483.565 1.000 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)c2C1 1795408600 KOSCNEWBRBGXEW-SCAQPMJSSA-N 485.545 0.536 30 20 JCED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F)C(=O)O 1795995017 NNOYZAJHKSPHQV-VAECKANCSA-N 469.420 0.238 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1796300289 AENNSHMJHZDERC-RDGPPVDQSA-N 458.515 0.647 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)nc2O)N(C(=O)OC(C)(C)C)C1 1796347245 FRAYMQQKJNIWTJ-FSDCSDTHSA-N 489.529 0.657 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn2nc(N3CCOCC3)ccc12 1796431220 SKYUNFBQJXNDSK-TZNCHREMSA-N 493.568 0.676 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)NCC(C)C 1796468545 XRTHSSVCIHKHCW-XMTFNYHQSA-N 464.563 0.265 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2(O)CCCCC2)CC1 1798466152 QCVNLBFRUBPSAZ-ACDBMABISA-N 465.616 0.995 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)nc3cccnn23)ccc1F 1798498158 DNMCMYZLNIOLCU-GPVSGQMNSA-N 476.468 0.546 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)CCOC1 1799332136 RHWKYEKCUAAOST-IPPNXFFKSA-N 462.547 0.954 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C3)c1 1799798456 ZEVCOCXKYZQLRC-IYWMVGAKSA-N 472.542 0.956 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=S)NCC 1800187825 OTNUOFWQUZVIGI-AJFQYHAUSA-N 495.646 0.529 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(CO)on2)C3)N(C(=O)OC(C)(C)C)C1 1801102285 FQZGLKLHWOQKFB-QXGSTGNESA-N 476.530 0.936 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(C)C(=O)C(=O)O)C3)cc1C#N 1801850894 URVFIIWLHZLGRF-XEMDLRDOSA-N 472.498 0.092 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C=C)C2 1802125336 FMVKJPQJPVAJFB-QLCXLMDBSA-N 462.547 0.183 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1802498754 PVFVJBPIOSXHNW-WVUNDPPESA-N 480.525 0.217 30 20 JCED Cn1c(=O)c2c(CC(=O)NC[C@H]3CCN(C(=O)CC#N)[C@@H]3c3cccnc3)csc2n(C)c1=O 1807334927 WJAMRZMCQTYOPW-FOIQADDNSA-N 480.550 0.856 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1809595499 IBVXVDLQRYZCAP-LWIKUFJKSA-N 454.575 0.193 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1810327799 QQROUFHFMYUMRP-GCJKJVERSA-N 489.536 0.831 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)[C@H](O)N1CCOCC1 1810354060 NLYDMXPDVAGTBR-SSPYTLHUSA-N 470.570 0.437 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1810355943 GOJPXPWHZXGZTG-UOQWWKADSA-N 460.535 0.209 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817466654 RPMNFROOEOALIA-OAHLLOKOSA-N 466.506 0.728 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)CC)CCO2)C1 1831175020 LXGRMGCSSYKTRC-XFAGBWLFSA-N 496.605 0.827 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C(=O)OC(C)(C)C)C3CC3)C2)C1 1831388634 VMTHXNBTXWZVPR-HOYKHHGWSA-N 479.574 0.881 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1831397475 RQURQZZSWZODLI-RHGYRFJNSA-N 475.517 0.439 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834665156 SXDOKDDFEVAJAF-UHFFFAOYSA-N 493.501 0.233 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c(I)c3)C2)C1 1834765814 VYNQUELPAXLQLT-SFHVURJKSA-N 485.278 0.980 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1835102629 UQZPIDILNLRWPN-HXUWFJFHSA-N 463.416 0.945 30 20 JCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1)[C@H]1SC(=N)NC1=O 1835112605 SCAALBNFWLVVQO-SCLBCKFNSA-N 471.587 0.874 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835357331 SRTSZPVEBCWHBP-KKSFZXQISA-N 454.524 0.286 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1cccc1C=O 1835674263 HVDWXDYLZMEFFY-FDDCHVKYSA-N 459.547 0.600 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1835676836 COBBDRAOKBNZMU-JOCHJYFZSA-N 455.519 0.081 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1835677608 RTVVQADBZSCGPQ-HSZRJFAPSA-N 454.531 0.915 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1835677842 YEUOKZJOGJRIDQ-RDPSFJRHSA-N 456.543 0.728 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1835680840 OORNCEJBCBFTKO-JOCHJYFZSA-N 475.502 0.652 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3Cc4ccccc4C3=O)CCO2)C1 1836594533 URYSUMXJSJAZEU-AREMUKBSSA-N 499.564 0.998 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837135426 GTUGNBDTKULGGR-NPMXOYFQSA-N 457.483 0.483 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837330052 FQWVNRXAJYEJPP-CMDUZHOASA-N 495.602 0.937 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H]3CNc4ccccc4O3)CCO2)C1 1837351825 UDAFRXNVBSZRBB-IECBHUPTSA-N 457.527 0.744 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1)c1ccccc1 1837612322 CEBAFJRSMLJHDA-DNRQZRRGSA-N 453.539 0.919 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1)c1ccccc1 1837614112 KYNTXLCHECPNFA-JCYRPKCISA-N 485.581 0.791 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)c1 1838642901 RHGNYTGGQODNAU-HJPURHCSSA-N 451.483 0.781 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)no1 1838951444 QOOBGKDSXRIGHE-HSZRJFAPSA-N 467.482 0.355 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1839167215 NCXKHBRDOPSOBA-IEGYKGNPSA-N 480.562 0.047 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1839174264 QAYQWKGOZFLCSY-DEOSSOPVSA-N 483.525 0.847 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839185865 PADMDDNIJHHHDJ-VRWDYKOXSA-N 470.501 0.555 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421262 FTRMTLYQPGGTMD-QHCPKHFHSA-N 454.458 0.780 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1839452729 SOOWPUVKBYTTKM-NRFANRHFSA-N 454.443 0.882 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1839762947 KYKFHMHYFUTXBF-HSZRJFAPSA-N 471.510 0.737 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1839886967 SEDPSASJXNMVGI-IIBYNOLFSA-N 491.532 0.930 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840183217 UPZICIAHHRQIBR-XZOQPEGZSA-N 475.498 0.009 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251785 YJSHQDWGSGCSMK-CYFREDJKSA-N 477.558 0.988 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840291360 NXRUQWOIEPOGGZ-MBSDFSHPSA-N 467.563 0.522 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnn(C)c4)CCO3)C2)c(O)n1 1840463806 CXYCKLMKLRMSTP-DEOSSOPVSA-N 469.542 0.952 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1840912357 DSGAKWOGYCUMJZ-ZGNKEGEESA-N 480.562 0.048 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccc(I)c(O)c2)C1 1846916753 UMJCGRPRDAEFKV-UHFFFAOYSA-N 454.220 0.902 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1847081889 BHGVWPBPDMXNJM-SAHWJRBASA-N 464.563 0.310 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NS(=O)(=O)CC 1847785248 XAYSXLROWDKCNQ-QZWWFDLISA-N 472.608 0.985 30 20 JCED Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1C 110529691 NZMGIAQBUZSQJW-UHFFFAOYSA-N 471.499 0.636 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)C1=O 504712043 MCFJMJIEGCJBEP-UHFFFAOYSA-N 494.526 0.410 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 507930271 WUMDNLMKOVQBNN-ROUUACIJSA-N 489.554 0.637 30 20 JCED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 514350460 BZGVDUBMQIEPOH-AWEZNQCLSA-N 470.530 0.694 30 20 JCED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 517531494 AEWKIWIDQCBVDF-UHFFFAOYSA-N 469.479 0.361 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccc(F)cc3)c2=O)cn1 523182538 QJNFBCFNVSTIGP-CQSZACIVSA-N 455.515 0.909 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O 524282729 HZTILEQDXFXELY-UHFFFAOYSA-N 468.457 0.365 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cccc2F)c1=O 603794373 BVVQINDKFYIHTH-UHFFFAOYSA-N 463.506 0.976 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCNS(C)(=O)=O 608912640 RKKHGYKZCUCEGY-ZDUSSCGKSA-N 478.552 0.485 30 20 JCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)c1 609341675 YNKDTNCEPPCXJV-UHFFFAOYSA-N 455.562 0.539 30 20 JCED CN(CCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1)S(C)(=O)=O 726401408 NFYZNQWYFYGBQI-MRXNPFEDSA-N 481.600 0.667 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2[C@@H](C)c2cccs2)CC1 726583681 FHUYKFYCYBSQJD-INIZCTEOSA-N 482.635 0.981 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 726585041 JGJHIDZTBGVMGV-UHFFFAOYSA-N 472.527 0.891 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(=O)N(C)C 742535026 LECMHERNTQDWLH-UHFFFAOYSA-N 454.552 0.590 30 20 JCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 748114119 MPQCTODSCPJEPP-UHFFFAOYSA-N 459.484 0.462 30 20 JCED C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1S(C)(=O)=O 831243784 OEBUITFUXMWAMP-GFCCVEGCSA-N 465.509 0.699 30 20 JCED CCc1ccccc1-n1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(C)c2)c1=O 839354840 HWBGVXJYDDYKDS-UHFFFAOYSA-N 451.552 0.851 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCCSC)CC1 839368587 ACAAMHAEZQDZNI-UHFFFAOYSA-N 460.629 0.064 30 20 JCED N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 918308980 BATLMGCAOCICKL-UHFFFAOYSA-N 453.480 0.932 30 20 JCED CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 920907873 MWRVSBMBJRFWEG-UHFFFAOYSA-N 497.512 0.761 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 1127222400 ORZHFDQAQPZFQU-MRXNPFEDSA-N 455.544 0.881 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2/S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCOC2)cc1 1325621994 NXIKRLPMUMXGNO-MXNZWNSJSA-N 466.585 0.839 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 1472525070 XCDIXRQQYWYBDC-WMLDXEAASA-N 452.533 0.977 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCOC1=O 1509958491 ZKAQZBIGIWSGSV-GJZGRUSLSA-N 455.541 0.192 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 1519530411 NDZLWSOFMBRFSA-SJORKVTESA-N 470.621 0.592 30 20 JCED CN(C)S(=O)(=O)N(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1565661812 NHYKHICTHSGORW-INIZCTEOSA-N 458.382 0.896 30 20 JCED Cc1cc(N(CCC#N)C(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ccc1Cl 1616498159 XAVXUOBKYFRROD-RTBURBONSA-N 454.980 0.671 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 1690870461 PVAIIFQZUXVDFG-UHFFFAOYSA-N 466.546 0.171 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1692574559 XMAHMSLZEDTOFA-UHFFFAOYSA-N 461.592 0.913 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1729735458 OQDDNQRZNDPNCP-MRXNPFEDSA-N 459.532 0.086 30 20 JCED COc1cccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1730219144 RSCUPIZGFTXWDK-SNRMKQJTSA-N 477.591 0.929 30 20 JCED CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766733714 JBDHEQBTTFUMRK-QLCIJSRNSA-N 480.620 0.250 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CC1 1778117488 MAPOBUPIWPXPDC-QHCPKHFHSA-N 490.582 0.439 30 20 JCED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2(O)CCCCC2)C3)CC1 1778847963 KYANQUAFTUTAFC-ZJSXRUAMSA-N 460.619 0.446 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1778959895 QLXYANDZZVJCSH-HKARXFIJSA-N 479.578 0.441 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)NCc1ccco1 1779103524 WLCZSUVNPWCLPR-KXCFTHEVSA-N 474.514 0.811 30 20 JCED O=C(/C=C/C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)NCc1ccco1 1779207332 HUDMPZFGHYUZOB-NPJCXYKHSA-N 469.538 0.981 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ncccn3n1)C2 1779364529 XYXOSSJAJUYEAX-ZLMOUHMRSA-N 454.535 0.724 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1780169162 NZNZVRYHNCQKEJ-XMMPIXPASA-N 463.494 0.835 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337811 JSCUICWSRXIXMX-GAJHUEQPSA-N 489.529 0.786 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1780684490 UUXJYLZYIZNQLV-YGKZAACZSA-N 467.563 0.508 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780933843 CUMDKOCQNQZKST-RGEBAEOJSA-N 491.570 0.250 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781168579 XNPOGANTWNQVMG-MZNJEOGPSA-N 491.589 0.869 30 20 JCED CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1781471161 KAIHOTJUKUDTGP-XMSQKQJNSA-N 464.632 0.683 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1782010960 MQFVMKNUTLNNAU-AUSIDOKSSA-N 456.499 0.134 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc4ccccn34)C[C@@H]21 1783528540 WTEZSZGIPHAUEU-OTWYLLFQSA-N 451.527 0.715 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C[C@@H]21 1783530603 KPGZGPBFGKNZFO-BQTQOVSTSA-N 495.502 0.981 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3c(C(F)(F)F)cccc3n1)CCO2 1783563490 SHBCMSIVQUUNPK-IBGZPJMESA-N 450.373 0.885 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783685903 UYQAGTIRDBGRDF-FHWLQOOXSA-N 455.552 0.212 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cc(C)c(O)nc4=O)C3)C2)c(C#N)c1 1785354028 LSEQKCMFLUKMJW-XMMPIXPASA-N 481.509 0.210 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1785452939 ABQOKCGANSZGRQ-BWKNWUBXSA-N 487.576 0.985 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786891730 QOSCPGGLXJTYGM-VJANTYMQSA-N 450.656 0.610 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)no1 1788659283 XLXBHHOXCMVLJK-JVLHUZPDSA-N 477.518 0.222 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789198236 VJMNUUDEAMJPSC-OVWQWFNUSA-N 456.503 0.484 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1793385536 QVYWGBPRJVWHFY-RFSXOUPVSA-N 471.620 0.758 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2 1793593199 ATRURPNJPOQHSP-KRXQYRFLSA-N 461.519 0.855 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)NCC 1797698137 GYJJQPMZCVHWGN-RTLBGIDLSA-N 493.605 0.753 30 20 JCED Nc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)sc2nccnc12 1797741082 YYIFEIUCSGNAMW-OEVAYPNQSA-N 457.560 0.948 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCNC(=O)OC(C)(C)C 1799260584 WTDDGCWDXLVGPT-HATOLVCRSA-N 481.590 0.937 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1799305671 YKSOJVBXZWZHNH-HATOLVCRSA-N 457.527 0.906 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800194180 QXWQDLUFEKRRKX-CLWJZODNSA-N 475.546 0.302 30 20 JCED CC(C)(C)OC(=O)NCc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1 1800773550 OLISNTNOQOIOAK-CWPLJXCYSA-N 472.498 0.398 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1cccn1C 1801443999 KJIDXURQPMCPPP-ZMMAXQRCSA-N 472.542 0.714 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2)NC(=O)OC(C)(C)C 1801928573 HLLGBFQVURLCCM-SPCJURDBSA-N 493.561 0.034 30 20 JCED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1803556278 HDONSZUNPQQBGO-NFBKMPQASA-N 478.615 0.801 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804190382 NBTCYOSPYVDUSZ-OXQOHEQNSA-N 457.487 0.149 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806083004 KQKVOGXNDQASGO-SFINVIRBSA-N 495.540 0.870 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2c2cccnc2)c(C#N)c1 1808172068 DKEKOXXXGYWVSR-WZONZLPQSA-N 460.498 0.897 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)NC(=O)c2cnccn2)[C@@H]1c1cccnc1 1810435724 FIFLEODBAGAEQV-DMQMHHFJSA-N 491.552 0.554 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1812716939 JMERENWVJRCYJZ-ZJSXRUAMSA-N 465.554 0.868 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185376 PWTOUNOERCLURF-SIXWZSSISA-N 460.581 0.986 30 20 JCED CC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330585 LLGPPAFGQYBYQX-MBSDFSHPSA-N 457.483 0.297 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831393892 RANPGEUEKOUMNJ-IEGUWTFLSA-N 483.562 0.021 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1832005323 YRCUBZGMOPTLMY-VGSWGCGISA-N 466.535 0.382 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1 1833477303 XXVNFTQTFJIJLD-KRWDZBQOSA-N 475.546 0.919 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nnc(Br)n4c3)C2)C1 1834758502 ORFUPBUZYYCSBW-GOSISDBHSA-N 463.292 0.475 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)Cc5ccccc5C4=O)C3)C2)CC1 1835338508 ITXDHSRREDBBOT-VWLOTQADSA-N 480.521 0.362 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1835680761 LKRCXXRSDQJKRB-RUZDIDTESA-N 485.585 0.545 30 20 JCED CN1CCN(CCC(=O)N2CCC(N3CCC(NC(=O)/C=N/N4CCCCC4)CC3)CC2)CC1 1835732230 ISNHFISQDUVQIR-YYADALCUSA-N 475.682 0.667 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1835757724 UQUZDVLSTDIEHD-HXUWFJFHSA-N 462.547 0.747 30 20 JCED Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1Cl 1837443559 FWLSTAAJSIEWJB-QOOAHNBZSA-N 452.943 0.615 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445946 CTLHRBNGTFZKCG-DOWHCJKDSA-N 454.524 0.476 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837836023 QKVMKDZIOCGORT-PXLXIMEGSA-N 473.511 0.182 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1I)CCO2 1837963612 RSSVZYQKXLDWAH-GOSISDBHSA-N 486.310 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(O)c3ccn(C)c13)CCO2 1838433748 UPHCFGDGQHDVMY-WRAFWBCBSA-N 483.525 0.207 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)cc(OC)c3F)CCO2)C1 1838549082 BNLHPKJOVLLCDZ-MWTRTKDXSA-N 464.490 0.951 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131119 MMNCZOKYEYVYSB-JOCHJYFZSA-N 486.554 0.773 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132295 BMDOLXCNAUBMFY-CJAUYULYSA-N 486.569 0.871 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1839176414 NFJKECZTMFHUGM-PBXQCXKZSA-N 497.548 0.862 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(N4CCOCC4)c3)CCO2)C1 1839344748 YDAHBCSAIMFCQG-AREMUKBSSA-N 499.612 0.875 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)CCO3)C2)c1 1839414388 CRZUOZSLTCRVOJ-NRFANRHFSA-N 455.427 0.884 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])CCO2)C1 1839462442 MPDHEHDHPQNPDM-WAIKUNEKSA-N 489.481 0.490 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1839738092 JRZACHYKGGKCRI-DJJJIMSYSA-N 455.437 0.903 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839893975 BBZYSKAQBSEYCM-YWZLYKJASA-N 495.495 0.837 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840008312 FPFVBSONOSGQQA-KBMIEXCESA-N 491.585 0.882 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840077326 MOOBUEOXBUWHQZ-GVFUYMABSA-N 481.546 0.225 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1840384641 FAZNVSBXZPZRSM-LRHHQANISA-N 463.535 0.649 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1840842807 BVSWRWAFRPUGGO-KRWDZBQOSA-N 472.283 0.498 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1840913583 GSUDSEXVTFCUOW-MQNAVGNWSA-N 480.562 0.048 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1Cc3ccccc3C1)CCO2 1840941516 QDKWUCKVDYOFJG-CNXHMKESSA-N 453.539 0.716 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2 1841056614 TVGMLERXCLWRBY-HJCTWCACSA-N 464.563 0.712 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841336642 WOQFACAVLZAIPM-OAHLLOKOSA-N 494.545 0.696 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2c(I)ccnc2F)C1 1843466093 IIWMKAIBGGQNQD-UHFFFAOYSA-N 457.199 0.730 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)C1 1846411410 YSFIAZFBDJTDLN-HSZRJFAPSA-N 463.579 0.844 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1847082825 YYZXEJMWEKXNRA-OYLFLEFRSA-N 484.557 0.913 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 497519008 UCASDGSGMFTJRE-UHFFFAOYSA-N 466.560 0.591 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C)c1=O 500543694 GSABOPHFOZDGMI-OAHLLOKOSA-N 458.496 0.552 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1-c1cnn(CC)c1 523182728 YWXCRPJFAFBXFJ-UHFFFAOYSA-N 479.562 0.946 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCNS(C)(=O)=O 589160117 BKJBQHFTYSBDGC-GFCCVEGCSA-N 469.535 0.855 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(N)=O)c1=O 608910802 OAORJNQHDCRQBG-UHFFFAOYSA-N 456.480 0.574 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc(Cl)c2)c1=O 608912663 TZVHHPHELIPAHE-UHFFFAOYSA-N 495.026 0.674 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)c(C)c1 608912953 MFJVOXPBPFREIL-UHFFFAOYSA-N 476.624 0.351 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3cccc(O)c3)CC2)CC1 610198312 QIAGDVWWFWKBKU-UHFFFAOYSA-N 469.567 0.919 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)cc2Cl)c1=O 838280420 DVZGKYLNQNXRJP-ZDUSSCGKSA-N 465.959 0.872 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 917343228 OYDVJYNXSMARCR-UHFFFAOYSA-N 454.508 0.100 30 20 JCED CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 918872116 FQYSDAWIIUIJGC-UHFFFAOYSA-N 464.544 0.374 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(F)cc3NS(C)(=O)=O)CC2)o1 919342112 KAFCSIRIMMUASM-UHFFFAOYSA-N 465.463 0.871 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3cc(C(N)=O)c4ccccc43)CC2)o1 919567944 RXCWDFQRQLCSKC-UHFFFAOYSA-N 450.455 0.800 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(C)=O)CC1 1286629955 OSUWYAVKGIFWJW-INIZCTEOSA-N 460.988 0.811 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCS(=O)(=O)C1 1314741204 LBBWKETUGLYCLI-NRFANRHFSA-N 458.544 0.458 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359142851 PJQIFZBHHPSHDR-CQSZACIVSA-N 453.956 0.998 30 20 JCED Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)cn1C 1457677515 RZXIQVLCKQOWSB-QGZVFWFLSA-N 456.528 0.486 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1516853648 UTYAKBSCLBWGKK-GOSISDBHSA-N 475.575 0.189 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)N(C)C 1541942767 JZJQJTATJPKCKX-HNNXBMFYSA-N 460.564 0.175 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)n1 1555556899 KUKSNOYBFSKHOJ-SFHVURJKSA-N 454.535 0.876 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCOC(C)(C)C1 1611706838 GOIZJJJXZDSQFT-FUHWJXTLSA-N 480.639 0.176 30 20 JCED CNS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1729739477 YSEOGKOLMHGYCU-IBGZPJMESA-N 468.511 0.962 30 20 JCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1747195052 SWUYMVGNLKHZJG-VQTJNVASSA-N 458.611 0.934 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1779062507 KWHXNDCMTMSSNJ-QHCPKHFHSA-N 475.567 0.627 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C4(N5CCN(C)CC5)CC4)C3)C2)c(C#N)c1 1781108338 VMDCDXVEKCCGSY-VWLOTQADSA-N 481.597 0.719 30 20 JCED CN1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1782195365 RFIUHXBTGVLULH-HSZRJFAPSA-N 451.531 0.125 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)[S@](=O)c3ccccc3)C2)C1 1782678686 PGLUCAJWYVWUJJ-LSQDDMJLSA-N 459.568 0.871 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783164874 GCBWQQTUBPXNIU-LLJLJFOGSA-N 476.574 0.649 30 20 JCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1783200800 IFRINEJYEQVTLN-ACJLOTCBSA-N 451.442 0.820 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1784485125 IEJMCWTWOXUMOR-BCYZHJNNSA-N 467.563 0.280 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784596626 BKARQXCZIKKODR-PNLZDCPESA-N 477.566 0.924 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1784786210 UOKIAICUIIPQHJ-OVWQWFNUSA-N 475.546 0.833 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)c(O)n1 1786887253 WJEANCFSNHHGOI-QZHFEQFPSA-N 459.547 0.092 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)[C@H]2C1 1788094120 GRYOBDWONKOHDK-QQCJEOGWSA-N 471.620 0.902 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789935116 CUAAQEIWWIZEKN-BCYZHJNNSA-N 469.579 0.833 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccccn3)[C@H]2C1 1790586572 RGRWTSOQAKDZNJ-VKESLTNKSA-N 459.547 0.981 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]31)C2 1792276199 HYUSYTZVBOBSHF-XEZGLNCPSA-N 475.542 0.842 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccccc1 1792940633 VFFOYZHVADPYKI-IJVIZSLASA-N 467.570 0.730 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1793354753 OMYHQORYTULBLE-GGXPGOJBSA-N 451.545 0.421 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2 1793355786 QUYOYHYXHATMSY-JCECYMMASA-N 455.552 0.707 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1793598692 COBLNHNXJXUMEB-WHZJULEDSA-N 493.649 0.681 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#Cc2ccccc2)C3)n(C)c1=O 1794250585 QERXRCGVIICVAS-REPLKXPHSA-N 474.521 0.124 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795603022 UUVRXPBZZDQRTF-RSPOEFSDSA-N 455.559 0.676 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cn1 1796076534 KJESCVPMDBYALW-SISPWIDOSA-N 477.587 0.301 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2)[C@@H]1SC(=N)NC1=O 1796426875 KOBLIEIPSIPEBI-JRRBAZMTSA-N 459.503 0.703 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccc(Cl)cc2)C3)CC1 1797303269 WOCLNCOKHGKCON-IRJINJETSA-N 472.973 0.445 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(C)ccn3c1=O)C2 1797711296 UJGFSARMEVOSJC-WQDJSCAQSA-N 454.527 0.779 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1797786390 ZKDQLJIRTZZDIG-TWWGPRNNSA-N 476.913 0.776 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(N4CCCNC(=O)C4)n2)C3)cc1 1798920926 KJNBKPCKUSCJDE-IRJINJETSA-N 488.548 0.797 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OCc1ccccc1 1799092217 MZXVJPJUVFNFRP-MRXSCTINSA-N 483.521 0.759 30 20 JCED CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236020 AJLRZPBGRFGARQ-XMTFNYHQSA-N 464.563 0.888 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2cc(C(F)(F)F)ccn12 1800120172 GPICBNZYDNPICH-KSPBDQMDSA-N 450.373 0.644 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2)c1ccc(O)cc1 1801055209 JKVDLZODZYDVIG-FSWZZPBRSA-N 452.515 0.727 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@H]1c1cccnc1 1802490918 VCLXDZOWSAZSPL-VQLQEPDVSA-N 494.508 0.716 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CCN2C(=O)Cc3ccccc3C2=O)[C@@H]1c1cccnc1 1803215541 MODJQNZWFGTJLL-CLOONOSVSA-N 488.500 0.791 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)C=CC1=O)C2 1804377226 WKQIGFJGIBESRV-YVSFHVDLSA-N 458.515 0.466 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3CCOCC3)cn2)[C@H]1c1cccnc1 1812874942 PMKIFLZEYYCCGH-MBSDFSHPSA-N 463.494 0.721 30 20 JCED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1)c1cc(=O)n2[nH]nnc2n1 1817815423 BVIYHGDDMMCWEE-MRXNPFEDSA-N 479.501 0.540 30 20 JCED Cn1ncc(I)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1817912211 WDABPMLXBYNQBL-MRVPVSSYSA-N 499.290 0.795 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2C1 1818638593 FQRNIDIYCMIOKC-ZFWWWQNUSA-N 468.601 0.765 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819770055 GQZOOKMAXQNIMJ-NNUFEUBYSA-N 470.621 0.855 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(N3CCOCC3)cn1)CC2 1825663462 HGPCMBQSUMMSOG-ZDUSSCGKSA-N 455.496 0.689 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1828807497 CPKVCNWFHYGJSB-HSZRJFAPSA-N 480.529 0.685 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829205594 CHLQGUCQMUUEPS-STWLZBDKSA-N 468.554 0.575 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3c(C)c[nH]c3C)C2)C1 1829762267 BLQHBLHJVAZEBU-XTGFCRJSSA-N 458.559 0.879 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CNc3ccc(F)cc3)C2)C1 1829765218 NETQIWGEUAUOSZ-XBKFQHLESA-N 460.506 0.552 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1829765266 QASYFAJFWOWLMX-QATSOJGNSA-N 462.478 0.158 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2)c1ccc(O)cc1 1829958847 BRMALHJVSGZXID-WOVHNISZSA-N 483.565 0.872 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1830341526 QDYYATRPLULZAJ-HXUWFJFHSA-N 483.631 0.846 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1831432227 JBVPGQNHECYFMP-VGSWGCGISA-N 455.552 0.947 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831464979 WWYIOSDYONLJMG-OYHNWAKOSA-N 489.554 0.185 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1832009719 SBOFMXPOFCIJMP-BMZXHMDVSA-N 478.590 0.894 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)COc5cccnc5)CCO4)C3)c2c1 1832680097 PVYHNQFOLDAXDZ-DEOSSOPVSA-N 476.493 0.979 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833028412 OQSKUOPAPPTHMX-KXNSMUHISA-N 460.531 0.661 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)c1 1833277175 PWGJCTZNDQNSPB-HSZRJFAPSA-N 452.467 0.584 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(=O)oc5)CCO4)C3)c2c1 1834596183 BBBZJIPNCJNGDG-HSZRJFAPSA-N 463.450 0.772 30 20 JCED CC(C)(C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)c1ncc(Br)cn1 1834755941 NRQSRLIKFRYJCU-LJQANCHMSA-N 466.336 0.887 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)n5[nH]cnc5n4)CC3)CC2)c1 1834797139 ANZPBWDQYDDYJP-UHFFFAOYSA-N 492.515 0.927 30 20 JCED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116858 ISTQOYHKZFTBTJ-UHFFFAOYSA-N 472.677 0.903 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835494160 JRFLOAIPWNYRKU-JPYJTQIMSA-N 455.515 0.928 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1835677669 SUENRCNJCYYGBS-XMMPIXPASA-N 485.541 0.369 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1835681404 VOERAZCJRRAGAD-COIATFDQSA-N 488.541 0.555 30 20 JCED Cc1cccn2ncc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)c12 1835682389 FYXPJYCGUDLCIO-DEOSSOPVSA-N 468.558 0.995 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)[S@@](=O)c1ccccc1 1835682437 IVCIOTGYOIMGRI-RDFURFRKSA-N 490.626 0.921 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1835752574 OUTKUBPCROPVCN-IBGZPJMESA-N 458.603 0.783 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1835840302 KRSZPLWASJCJBL-HSZRJFAPSA-N 469.586 0.823 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1836380653 ACMYJCCBCSLFRQ-HSZRJFAPSA-N 477.583 0.890 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CCN3C)CCO2 1836570057 NCQCYWBGTZYXFE-KBDOHKNDSA-N 468.554 0.607 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1837526095 BOWKEFKGBOFAID-OUDOVLHRSA-N 489.525 0.943 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c1 1838580897 VWBXJSDENYQDNH-QHCPKHFHSA-N 456.499 0.259 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)cc1 1838632942 QQEYWSBAPBBVBF-HSZRJFAPSA-N 451.483 0.344 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC[C@H]5CCC(=O)N5C4)C3)C2)c1 1838739450 SYUAJKYRLJNWPJ-STSQHVNTSA-N 455.515 0.357 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1839109876 YSIMMZJKTRSXTI-RLSLOFABSA-N 493.601 0.864 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C(\C)NC(C)=O)C3)C2)c(C#N)c1 1839132466 GTSXFRJFHKTPDI-GOOYREHVSA-N 470.526 0.606 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cnccn4)C3)C2)c(C#N)c1 1839133324 LDBIFBSXMRXUOE-VWLOTQADSA-N 479.537 0.989 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)c1ccccc1F 1839233603 HMXMABGSAQCUGL-RTOPAQNCSA-N 467.563 0.952 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(N4CCOCC4)c3)CCO2)C1 1839344276 VWDKBTJJTSRGIX-CJFMBICVSA-N 471.554 0.632 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)c1 1839421851 OMNWBWMAIDRUKH-HSZRJFAPSA-N 469.473 0.896 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c(Cl)c1 1839424816 DLUFSTMZCOJIMG-AOMKIAJQSA-N 460.918 0.808 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C3)C2)c1 1839453651 WHBVNIRTGNOYHO-NTKDMRAZSA-N 488.541 0.780 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839533839 KJJFUCBYPLBLAW-DEOSSOPVSA-N 465.510 0.850 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1839760850 XTYQVJFAKTZGLI-NRFANRHFSA-N 450.536 0.068 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1)C(F)(F)F 1839893645 HJKIQKOHRXPWEF-LJQANCHMSA-N 488.488 0.466 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840076816 IDYJMNODCNGUAP-VWLOTQADSA-N 474.554 0.564 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840157324 LFFAKDFFQBFXJT-FVJLSDCUSA-N 485.628 0.437 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(Br)nn4c3)C2)C1 1840159529 GWQTWKVNMISZNI-KZULUSFZSA-N 484.376 0.880 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)C2)C1 1840174599 NBGBQCJPZCDOPH-DEOSSOPVSA-N 499.605 0.967 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)c(C#N)c1 1840180900 JKZCRWPHWOQTSY-DNQXCXABSA-N 489.525 0.182 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)Cc5ccc(O)cn5)CCO4)C3)c2c1 1840497811 WEZSFRXYTCURQE-XMMPIXPASA-N 476.493 0.848 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)no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c1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C3CCN(C)CC3)c2=O)oc1C 513029603 NROANIDGJCFVES-UHFFFAOYSA-N 484.578 0.990 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CCN(C)CC3)c2=O)cc2c1OCO2 517980438 CNTOPUODHCHGMB-UHFFFAOYSA-N 484.578 0.941 30 20 JCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 604208135 XJWYKMYGZCSWOL-UHFFFAOYSA-N 472.527 0.943 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)ccc1OC(F)F 604269073 IYMKQAOAGXGVOQ-UHFFFAOYSA-N 494.520 0.636 30 20 JCED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)C[C@@H](C)O1 609342361 VQMPGURVMQKLSX-HZPDHXFCSA-N 463.560 0.527 30 20 JCED CC(=O)Nc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 726577800 VSLABWGQHHLGMV-UHFFFAOYSA-N 479.543 0.591 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(F)cc2)c1=O 729675274 YSTBVUJHWQJUHV-UHFFFAOYSA-N 463.556 0.655 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 746150342 NQTCQZWBFUCHHU-KRWDZBQOSA-N 483.568 0.338 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 811830999 OYWBICKXYOLQPQ-UHFFFAOYSA-N 451.482 0.041 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 819800024 XHLGIVUBJOBXLH-OAQYLSRUSA-N 466.560 0.985 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)c(C)cc2C)c1=O 838232038 SYMZTNWNALRUOU-UHFFFAOYSA-N 484.622 0.433 30 20 JCED COCCn1cc(N2C[C@@H](C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2=O)cn1 1156592250 RFOBKOXTOSDDEN-ICSRJNTNSA-N 450.499 0.671 30 20 JCED Cc1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)n1 1290021599 JQSHKGZFJDGNFC-FXAWDEMLSA-N 463.539 0.999 30 20 JCED CC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1291376746 BDFHMSLRMMGRLL-QFIPXVFZSA-N 455.567 0.802 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1nncn1C 1301045455 UPFIASKKDZYMMH-KBPBESRZSA-N 456.960 0.834 30 20 JCED CCS(=O)(=O)NCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1314563558 YFHZEXVBVFOTCV-OAHLLOKOSA-N 461.596 0.892 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359084762 RCFMGBKSUVBRMV-KGLIPLIRSA-N 496.453 0.854 30 20 JCED CS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1505147914 XAINCBYRDVLKSE-HXUWFJFHSA-N 473.603 0.915 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1615974010 YFZDYWXDEUAJOV-FQELHTAISA-N 460.560 0.875 30 20 JCED N#Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2=O)cc1 1674717279 ZRDXTAGFQGUSLK-GOSISDBHSA-N 451.487 0.536 30 20 JCED CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1696462348 PYEQERHDEQETRD-INIZCTEOSA-N 460.560 0.935 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1)C1CCN(S(C)(=O)=O)CC1 1711044623 DMTKQKFQPGEZMJ-JOCHJYFZSA-N 490.586 0.740 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1712704571 JPRSJPQAHYXFOE-UHFFFAOYSA-N 478.600 0.866 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1729342728 SUSYUGFYBHVLJU-FOIQADDNSA-N 461.523 0.970 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC(N)=O 1740745487 VPBVFJOCLYDPFU-VXGBXAGGSA-N 465.374 0.220 30 20 JCED C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1751145899 UABPJBMEWBXOFI-IEBWSBKVSA-N 481.623 0.462 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCOC1 1751222463 IVFRAVSSSIOLTQ-IERDGZPVSA-N 475.575 0.238 30 20 JCED CS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc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c3cnnn3C)CCO2)C1 1781167755 ITUUMHIAMVJQQC-UZUQRXQVSA-N 474.562 0.955 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1781693164 BOIABQMZRYYPJL-HOOSLVGPSA-N 492.621 0.680 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)C=CC3=O)C2)c1 1782316603 OUHBIPWITPGHDX-NTKDMRAZSA-N 450.495 0.919 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@H]2C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565708 QHAPXTSZCLMDQG-XDHUDOTRSA-N 491.541 0.178 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783975829 NLWOYJFLGSJEBI-XOBRGWDASA-N 492.495 0.964 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c(C#N)c1 1783981134 NQORVQSYDAPFSZ-HXUWFJFHSA-N 468.432 0.618 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)c1ccc(O)cc1 1784018321 OBSYJWNNTDVTQV-WWEVIYMKSA-N 456.543 0.312 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCNC(=O)OC(C)(C)C)[C@H]2C1 1784198436 CAUYGXUBDJUGGO-BZSNNMDCSA-N 453.536 0.157 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1785577961 SJPILZAMHCBPKH-HOYKHHGWSA-N 485.541 0.767 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)[C@H]2C1 1788094121 GRYOBDWONKOHDK-WEVKCVHISA-N 471.620 0.902 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nsnc1NC 1792486679 SXZRIBAEPYFKPI-XGUBFFRZSA-N 478.575 0.700 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@H]1CC(=O)N(C2CCCC2)C1 1793777172 KXVOXISRXGADGV-DOAQDYOKSA-N 459.591 0.839 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(C)=O)CC1)c1ccccc1 1797304632 QNXQQCXRLYPJCK-OUJSJNLKSA-N 480.609 0.937 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1799395346 MZQWWQQBPUTMQD-VLUPQCQJSA-N 482.578 0.605 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O 1800535195 MEFCSKCLXBWBPB-NLNMYJFZSA-N 466.579 0.960 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1800806657 OXMFZWSFJRSGSO-GRCHLYKMSA-N 493.605 0.418 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC1)C2 1800982239 ZGAOGBXLVNGGNM-MHORFTMASA-N 480.562 0.792 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)O 1801024651 QYWUMCZWMUWYTJ-BASYENTBSA-N 469.560 0.310 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801734123 BUZFSZVISZSWLV-IYWMVGAKSA-N 482.622 0.771 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n(C)n1)C2 1802125326 VBHQOEHDPFGENG-BASYENTBSA-N 461.519 0.246 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1802125577 ITRYQXXFYKFVQW-FPWXAHMASA-N 475.590 0.964 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1802126541 AFZUIKUICXVRHJ-NBMJBFSESA-N 487.557 0.785 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1802140925 XWBXRMCYMVCGPZ-MSRBSNNSSA-N 495.573 0.661 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804192120 KAFISMPUSSYRNM-JPYJTQIMSA-N 476.493 0.590 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1810247331 UXHWXOCHSGLJBX-RYRKJORJSA-N 454.464 0.385 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1814207720 KBHRRWKKOUFWEM-SVFBPWRDSA-N 497.600 0.844 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1817183588 GGABHVVMMXBOEI-AAEUAGOBSA-N 466.516 0.683 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817236877 YXZNWKIXYNZYRO-AWEZNQCLSA-N 457.424 0.636 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC2(O)CCCCC2)CC3)CC1 1818895747 ZWJNGAPOPCWSAJ-SFHVURJKSA-N 487.626 0.918 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(=O)N(C)C)C2)C1 1828580061 MYKDNIIEDURJJD-UQBPGWFLSA-N 484.553 0.565 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1)n1cnnn1 1828811070 RZNQVKDAYRPGOC-VGOFRKELSA-N 466.502 0.600 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828968139 YRCREJKMHAGHIO-UQBPGWFLSA-N 498.584 0.581 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCc3ncc[nH]3)C2)C1 1829334459 IZQSEENTJYMJGT-VWLOTQADSA-N 493.520 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)C)C(C)C)C2)C1 1829765142 IIZIFXXCHHTIFU-HKZOASNMSA-N 450.580 0.324 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccco4)no3)C2)C1 1829766063 JEURKZGXGPJBTN-IYZQMXKPSA-N 470.482 0.863 30 20 JCED NC(=O)c1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465466 IAUUNJIUCGEJQG-DEOSSOPVSA-N 482.924 0.956 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1831998985 VYTLJIFEJFEKAG-GAJHUEQPSA-N 477.562 0.960 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)CCO2)C1 1832100258 ULFDPWFJDXJSHC-BVZFJXPGSA-N 490.553 0.750 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832361596 XFWBVLFRAPNKHH-DFBJGRDBSA-N 491.585 0.743 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1832456952 CWSNUDFCTITKAI-JOCHJYFZSA-N 489.554 0.668 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)cc1 1832793376 KSOJZTFULSVVNA-HSZRJFAPSA-N 482.497 0.752 30 20 JCED CN(C)C(=O)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1834633966 SCKFJPKDOOLASI-UHFFFAOYSA-N 451.531 0.708 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)CCOC1 1835359180 YOMYUXFUVMHKLM-VXKWHMMOSA-N 466.535 0.430 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1835641923 HYBBKYBAVPWBEE-NRFANRHFSA-N 454.568 0.605 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1835678048 VZLRIRWZHKHQQQ-JOCHJYFZSA-N 479.965 0.852 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835679899 BSOWXDJPZAECIC-HSZRJFAPSA-N 481.594 0.639 30 20 JCED Cc1cccc(C)c1NC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681440 ZGCCYYAVNASIPU-RUZDIDTESA-N 485.585 0.980 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)c1 1836130285 MCEXQXYDPBKMIE-XMMPIXPASA-N 466.494 0.960 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nnc(Br)n3c1)CCO2 1836256442 MNNZGFLFXWGMCE-OAQYLSRUSA-N 488.342 0.975 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836336161 ASDOSQOCKNQBAM-INIZCTEOSA-N 472.517 0.604 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836971545 WVKGZBBAPYFGLN-MBIGCVILSA-N 477.518 0.265 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c1 1837254563 KYHKSFTZCNKBME-UUMVVRSSSA-N 452.511 0.772 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443501 CQMMGYZHUDXTOQ-VZCLOHQVSA-N 451.568 0.219 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837487058 VYPZWEAHBQURPT-DEOSSOPVSA-N 464.559 0.873 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1837528213 BKPRZHUZWDJZRP-IWXLIXGASA-N 471.514 0.933 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837690397 QGYKOCWDOYPNKB-MHECFPHRSA-N 454.527 0.638 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837908223 LOSGTJLRGIISIK-OMJZWIOZSA-N 450.467 0.820 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(CO)o2)CCO3)c(C#N)c1 1837970398 KFOWIPDDMXBDSK-DEOSSOPVSA-N 469.494 0.965 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)nc5sccn45)C3)C2)c1 1838737869 BWDYZRLBRQTHAD-OAQYLSRUSA-N 468.495 0.340 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1839130736 QTBJMEDPCRCFMQ-DVECYGJZSA-N 497.589 0.149 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCN(C)CC4)C3)C2)c(C#N)c1 1839131921 IGWHFLMPEWOXOY-AREMUKBSSA-N 499.612 0.203 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncccc3OC)C2)C1 1839174078 DOFINGCPZGWMIV-DEOSSOPVSA-N 475.542 0.989 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)CC1 1839362369 NRPRTPNGBMWVCU-VWLOTQADSA-N 469.586 0.460 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])CCO2)C1 1839462435 MPDHEHDHPQNPDM-HJPURHCSSA-N 489.481 0.490 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487787 XCFUNUPUDRTWSG-QHCPKHFHSA-N 479.497 0.560 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488362 NLPHAICBANTOMR-NBLPZQPVSA-N 473.555 0.663 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1839650938 BMWODOSXBGRYLM-QOZQDQEPSA-N 477.518 0.100 30 20 JCED C[C@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)N1C(=O)OC(C)(C)C 1840039904 CUAJEDFVSZKFMX-HKARXFIJSA-N 479.530 0.319 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)cc1C#N 1840763106 IBLYQRHYSQTDIZ-DVECYGJZSA-N 470.526 0.694 30 20 JCED Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)c(=O)nc1O 1840808025 GEQGNDWWQZYMIY-DEOSSOPVSA-N 481.509 0.094 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818262 UFPDBBPHCJOTKY-WEHRJKGCSA-N 468.510 0.252 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840905705 JQAGVNDGNQXAIQ-RUZDIDTESA-N 487.553 0.691 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1845199077 BTNVBMQXDHSDRY-GOSISDBHSA-N 498.646 0.780 30 20 JCED CC(C)C[C@H](C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)N1C(=O)c2ccccc2C1=O 1845240328 DDDGJCOMEKRHKK-GOSISDBHSA-N 451.479 0.989 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCN3CCN(c4ncccn4)CC3)CC2)cc1 515906900 QFIHCZHXZAGFPE-UHFFFAOYSA-N 484.586 0.186 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)c(F)c2)c1=O 523743715 GNSRLKLOOMLZHV-CYBMUJFWSA-N 451.495 0.879 30 20 JCED Cn1c(CCC(N)=O)nnc1SCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603568288 WZTIAMVQNKLLJU-UHFFFAOYSA-N 470.515 0.794 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)C1=O 726043579 WLDZEKBOFMGVGB-AWEZNQCLSA-N 465.484 0.167 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CCS(C)(=O)=O 729671469 OEOKITGGCSMLHH-UHFFFAOYSA-N 463.581 0.382 30 20 JCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCS(C)(=O)=O)c1=O 729673120 TUTLRFDPMWKUJL-UHFFFAOYSA-N 477.583 0.964 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2)c1 749028890 FKRLHKBUUGOTOV-UHFFFAOYSA-N 461.526 0.942 30 20 JCED C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 821727550 IRLBUDKFRULXDE-CYBMUJFWSA-N 494.551 0.546 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)c1cccc(-n2cnnn2)c1 916766382 ZFSTTXMWFRNKKB-UHFFFAOYSA-N 451.472 0.631 30 20 JCED CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918307156 ORITVZALXRJQJC-KQWNVCNZSA-N 451.549 0.811 30 20 JCED C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 918875201 LFZXCOVYFPFZOP-QHCPKHFHSA-N 496.480 0.719 30 20 JCED C=CCn1c(C2CC2)nn(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1=S 921044557 DGPCLQZZWBUWNO-HNNXBMFYSA-N 461.635 0.569 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCN(C)C1 1303863347 QKCBBDJXSFXZGW-VGSWGCGISA-N 488.618 0.153 30 20 JCED Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1314916905 POMGTYSFVGQUCT-MRXNPFEDSA-N 455.548 0.759 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OC(F)F)cc2)C1 1316358454 YXDGWQANDLPCRL-SJORKVTESA-N 498.512 0.989 30 20 JCED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCCS1(=O)=O 1503104471 QPIURRSOUIHCPD-UHFFFAOYSA-N 460.564 0.443 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1517329504 NKUWXBKFIUOBCF-UHFFFAOYSA-N 474.635 0.828 30 20 JCED CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1554505364 NUWGJSBCBYSRRJ-UHFFFAOYSA-N 469.575 0.422 30 20 JCED CS(=O)(=O)N1CCN(CCNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 1563878584 MULATINFWHNTNN-UHFFFAOYSA-N 453.540 0.827 30 20 JCED Cn1c(O)nc(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)cc1=O 1647909566 JENJMSXMOMMJNS-ZIAGYGMSSA-N 456.890 0.759 30 20 JCED CCCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1695204776 IYKRFOLPLNGHMO-SJORKVTESA-N 455.585 0.072 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1695932750 WPOJOJIJXVWIQG-UHFFFAOYSA-N 485.614 0.900 30 20 JCED CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1708823336 KKCNYCPFLJWZGA-ZWKOTPCHSA-N 481.623 0.339 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCO1 1711369179 UUGMQNZOIULVDW-GOSISDBHSA-N 453.503 0.206 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1712711347 JXFUSOKJDOBUOM-UHFFFAOYSA-N 455.548 0.874 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1747658159 VASJTQPFLUFXHQ-MRXNPFEDSA-N 467.573 0.787 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C 1752387722 KCOPNWQVOKKCEF-AEFFLSMTSA-N 487.586 0.677 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1761437958 VZYHCTZTDRGEKR-MBOZVWFJSA-N 485.586 0.021 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778916589 PVHHERNAQSJWCO-KHCICDEESA-N 473.574 0.717 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1778943845 WLOMAYAFZMCNIF-IVZQSRNASA-N 463.535 0.552 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](COC)NC(C)=O)C3)C2)c(O)n1 1779312248 XPHOPGKMPQWQMU-CVDCTZTESA-N 460.531 0.500 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779423168 GTVHCCYXLSTSBK-OMJAGBKOSA-N 467.567 0.737 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779953959 ODRYPUXXBJGOKC-QDLBXXMRSA-N 475.527 0.729 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781168904 XUHOPAHVHKQLGT-VGOFRKELSA-N 475.550 0.200 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)ccc1F 1781299910 IQXVPHSGDQIEGV-QFIPXVFZSA-N 455.446 0.644 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783244469 WUXATLNHYWLXCW-CXAIIMIESA-N 480.612 0.219 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C34CCN(C(=O)OC(C)(C)C)CC4)C2)C1 1783453578 NEGVHOGBUNEBKU-GAJHUEQPSA-N 474.558 0.213 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4sc(C)cn4c3=O)C[C@@H]21 1783530811 IHUWHFPASQJAGX-GFXHUTCISA-N 485.566 0.516 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783599301 AIEGTXAZHHWKSO-DGGJZMOXSA-N 481.546 0.311 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784041465 JSZDPFLGBRDHHS-SEPYTNNBSA-N 464.563 0.812 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784197026 BBNZYWOZWVPSPH-VJANTYMQSA-N 497.589 0.751 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN3C)[C@H]2C1 1784831265 CTQWFUJTQFAAIB-KNJMJIDISA-N 462.591 0.977 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785306874 VGNVTTSLTNQUTN-SEPYTNNBSA-N 481.594 0.269 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1785593268 WXOCNSWSCUOHBT-UZFJHSOTSA-N 478.546 0.738 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1787395069 QIYWDHLFDGWPJE-QAETUUGQSA-N 450.536 0.546 30 20 JCED Cn1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccccc4C#N)[C@H]3C2)c1=O 1792145307 IJRVKLXCEJJUCJ-CUWPLCDZSA-N 450.495 0.929 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1)C(F)(F)F 1792272826 XNKGOLGJRSHSNN-AJNGGQMLSA-N 492.495 0.853 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1792279334 QFRGBXDYPLDSNY-NXOAAHMSSA-N 480.566 0.222 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)[C@H]2C1 1792308366 FFCHIKDXHPKHKZ-QZWWFDLISA-N 484.619 0.364 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C3)C1 1792443535 ALZNWVIBAFXUDQ-MHORFTMASA-N 465.547 0.999 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)[C@@H](O)C1 1792450884 IEQMMQGAIXCCOL-OYNZLANYSA-N 450.536 0.498 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cncc(S(C)(=O)=O)c2)c1 1794320775 DDRJINAZNIIRDG-RMFSNUHRSA-N 484.534 0.882 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794384631 JZYFRJRHPARSHR-LVQVYYBASA-N 456.547 0.913 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNCP(=O)(O)O)c1 1795522112 JYKFNALDQRCARO-UEILYKACSA-N 450.432 0.242 30 20 JCED CC(C)(C)OC(=O)N1CCC(CNCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)CC1 1795630590 GNWQQWRSEXXBJU-RMFSNUHRSA-N 463.579 0.726 30 20 JCED Cn1cc(-n2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)c3ccccc32)cn1 1796508723 AVOXZTCJMNZQFS-RSQQPWMTSA-N 461.478 0.655 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(CC#N)cc2)C3)CC1 1797141004 OOEAVRCYJXRAQH-WKCHPHFGSA-N 474.583 0.627 30 20 JCED COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)c(F)c1 1797808453 GPLLECWILWHGNG-CWYBWMOVSA-N 450.467 0.962 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1I 1798116138 YZNQSXLBRDDING-ZMJPVWNMSA-N 488.326 0.791 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799086260 ZWGAAHJNGTYHOK-NHKMSHSESA-N 460.494 0.812 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)c2cccn2C)C3)c(C#N)c1 1799240747 ISJVZMXJZBJOBN-OPMZPASUSA-N 450.495 0.920 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799323119 SYAPNTXIDDYTRH-NYYTWLDWSA-N 466.535 0.157 30 20 JCED CSCC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)NC(=O)OC(C)(C)C 1800776137 UBIUFLDORQOPHD-UIVXKWKOSA-N 483.587 0.701 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC[C@@H]1NC(=O)OCc1ccccc1)C2 1800778583 JDARFSZWAHSCLM-RUIUOMPFSA-N 483.521 0.759 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2)C(C)(C)S 1800906150 FSKODPOTTKNZNP-DMHIMHRUSA-N 498.646 0.704 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1802226862 QEWATEWYGVZMCX-QXCZDIPSSA-N 499.630 0.991 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1808280967 YYSIIXCZOAONKO-DOTOQJQBSA-N 453.503 0.884 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1809603665 PMVUPHGYMOMINV-NFBKMPQASA-N 457.575 0.844 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1812876255 GDVQJMZAAYCFGR-WZONZLPQSA-N 469.519 0.822 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817271443 BKIFXICVQZBLHL-AWEZNQCLSA-N 482.632 0.763 30 20 JCED Cc1cn(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(C#N)c[nH]4)sc3C2)c(=O)nc1O 1821608949 MQIGNCPNPDECHP-LBPRGKRZSA-N 453.484 0.840 30 20 JCED Cc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN(CCO)CCO)CC3)c1 1823778970 ORMIXPIOQDNVCP-KRWDZBQOSA-N 457.556 0.836 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)c1 1825328783 JZQHUXDNAJEOOG-KRWDZBQOSA-N 457.556 0.836 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1828581169 ZUNGLINIWHLXSP-ZVOVDXHFSA-N 496.564 0.755 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccnc1)CCN2C(=O)OCc1ccccc1 1828738847 DZHQQTONHVJNDC-DEOSSOPVSA-N 479.493 0.423 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829231661 FJOFCXHZZBBZJK-GAJHUEQPSA-N 476.530 0.550 30 20 JCED COC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330264 FARFQPJTYNAWOV-KOSHJBKYSA-N 471.510 0.809 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCOC1)CCN2C(=O)OCc1ccccc1 1829408208 WSNSJJKDKNZXCQ-YADARESESA-N 469.494 0.563 30 20 JCED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2 1829628687 UTDLFPQIKIZBKG-DEOSSOPVSA-N 456.543 0.816 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1829758479 ITZWDOROCCGRCZ-FQEVSTJZSA-N 460.491 0.974 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1829770194 FKMOZSWKPRCTEJ-UZQCKINESA-N 453.499 0.491 30 20 JCED CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1830526466 VNAJQNZAWJXLIA-MHECFPHRSA-N 494.589 0.755 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831028247 AZJGTCFOFFAFBK-OPAMFIHVSA-N 471.551 0.531 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1831413422 YAOZMJHGYLSYNP-JOCHJYFZSA-N 478.502 0.196 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1831425963 CPVHTSWHYIAEST-VIICAESSSA-N 487.597 0.935 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1831428032 XPZGZBPZFSQXJX-VFNWGFHPSA-N 464.475 0.660 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)n(C)n2)CCO3)c1 1833407378 YLHVGMHDVXVGHH-QFIPXVFZSA-N 455.471 0.390 30 20 JCED CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833454091 PLKRYJAWOISQPY-FNNTWHHHSA-N 472.608 0.522 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cn3nnc4ccccc43)CC2)CC1 1833651050 LBSPXRLVIKDXMV-FPLPWBNLSA-N 479.585 0.861 30 20 JCED C=CCCc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c(O)n1 1834028664 QGSNRZJQZKKGJX-OAQYLSRUSA-N 486.617 0.684 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnoc3C)CCO2)C1 1834322172 QGXSAXWIDKAXNJ-JPYJTQIMSA-N 476.530 0.970 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834560748 QGRVMLBCCYLUHF-HSZRJFAPSA-N 457.531 0.465 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4c(Br)cc(F)cn4n3)C2)C1 1834766892 CPXOVWOCHSCRPB-GOSISDBHSA-N 481.282 0.615 30 20 JCED C[C@@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767817 YILSQBLOWHHGIY-CLJLJLNGSA-N 493.564 0.770 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835169703 IRBFZTMGZVYZEE-RDPSFJRHSA-N 460.527 0.987 30 20 JCED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1835243241 ISTAZEKVRZPQPF-OAQYLSRUSA-N 451.907 0.945 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835356831 OMOVYILNCOXAOG-WZONZLPQSA-N 480.562 0.773 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680650 NMROYDRNTNVALM-JOCHJYFZSA-N 450.536 0.234 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835833826 GRSGFQZSVYDSBW-XXBNENTESA-N 460.531 0.437 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1836777170 XXVIXAYZGBNAGH-OAQYLSRUSA-N 463.560 0.006 30 20 JCED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837079163 HJBBGYWDEWJFNU-SFHVURJKSA-N 455.621 0.928 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1837669468 WYGAFWMOTXHPPX-HSZRJFAPSA-N 462.547 0.706 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1SC)CCO2 1838280116 FGZLFMRIBZFQRI-DYRFGFBLSA-N 460.556 0.732 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1838493073 VLDSQGRQDYZSRJ-QFIPXVFZSA-N 452.471 0.814 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)cc(C(F)(F)F)c1 1839443563 OROYLVQSWCHQGO-HXUWFJFHSA-N 478.431 0.939 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C1)C2 1839739028 NXCXSWIOOMVCTH-XDHUDOTRSA-N 485.541 0.382 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)C1 1839807955 QECQLQGGRKASMJ-CJFMBICVSA-N 486.569 0.794 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839860979 YRALHYGXUIGWJO-FDDCHVKYSA-N 480.562 0.145 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1)C(F)(F)F 1839894444 CCBXRXMTROGLMA-NRFANRHFSA-N 468.476 0.958 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840160511 JCKKNRMWNCBLDW-AVYPCKFXSA-N 461.581 0.301 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840783289 XROCBIGVMPOUDU-ABBHQSEISA-N 462.522 0.860 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc(C)c(O)nc4=O)CCO3)C2)c1 1840808426 XJFJZBMMMICBND-DEOSSOPVSA-N 481.509 0.208 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819794 FPJHCBWVXIJSMA-HXOBKFHXSA-N 456.499 0.084 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840908624 CUXZRZWKTBLJJE-DVECYGJZSA-N 489.573 0.336 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1840913967 RRIUABKBDNGJLS-OEDAOFSRSA-N 494.589 0.437 30 20 JCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)C1 1845884243 PNAZYKGCEVOCAK-OAHLLOKOSA-N 485.545 0.921 30 20 JCED CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@]3(O)C(=N)[C@@H]1C2=O 2048529518 LOXPRMVFVYJSJE-HJQQZEDTSA-N 456.499 0.010 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 14701337 CPWXWSDVZPPLQN-UHFFFAOYSA-N 477.564 0.549 30 20 JCED COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc1C 409954153 ZVZFHMLCBNNHSZ-QGZVFWFLSA-N 485.562 0.414 30 20 JCED N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c1 502015684 IDCVVSDYEPNANL-MJGOQNOKSA-N 458.540 0.771 30 20 JCED CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1 521498314 KHZPXSGXOXGBMS-UHFFFAOYSA-N 482.606 0.983 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)ccc1F 521525170 DNKWFZJBZQMTLW-UHFFFAOYSA-N 465.462 0.957 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCCO3)c1=O 523081445 PXILUHKVOHJIIW-UHFFFAOYSA-N 471.535 0.079 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(CCNS(C)(=O)=O)c1=O 524282111 QIQGBCIMIMEOFA-UHFFFAOYSA-N 483.571 0.854 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2csc(C)n2)c1=O 590903493 CUKSGGFWXOCLNI-UHFFFAOYSA-N 475.640 0.769 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(C(N)=O)cc2)c1=O 608829026 XBZDCDRABXUIEG-UHFFFAOYSA-N 490.541 0.368 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCNS(C)(=O)=O 608913032 OUWNLWHMIYXXIC-ZDUSSCGKSA-N 478.552 0.485 30 20 JCED CCN(CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1)S(C)(=O)=O 726890220 VKMPWXIVOUYROL-AWEZNQCLSA-N 457.578 0.829 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CCS(C)(=O)=O 729673395 NELVYMHUAFMKDK-UHFFFAOYSA-N 461.609 0.936 30 20 JCED CCOC(=O)N1CCC(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 749003718 DSXJXZQVZMQEGP-UHFFFAOYSA-N 452.489 0.117 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1 811919458 CLLNLTWEZNUAAA-OAQYLSRUSA-N 456.480 0.719 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2c(C)cccc2C)CC1 838359280 JBQRCXFKBAIOJR-UHFFFAOYSA-N 476.606 0.917 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 853670347 ITSOXJHAUPAUGC-LSDHHAIUSA-N 485.584 0.473 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C(C)C)cc2)c1=O 916199030 ZOMRFVQCEUXQKL-UHFFFAOYSA-N 484.622 0.631 30 20 JCED CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 918436407 CTMAKNLZQUVTRN-UHFFFAOYSA-N 488.526 0.893 30 20 JCED CCc1nn(C)c(CC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1306046011 PBLRGZIMPMIXPH-KGLIPLIRSA-N 450.569 0.524 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359077175 WGLHHJLNYCDPGO-VXGBXAGGSA-N 470.415 0.810 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 1450451727 KBBCSNVAFKRIDJ-KRWDZBQOSA-N 457.512 0.613 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)N(C)C)CCCC1 1509954437 NVUSGGXNHKOMAE-DLBZAZTESA-N 481.623 0.998 30 20 JCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539594340 JDEFIKIPSFSGAT-CQSZACIVSA-N 452.357 0.538 30 20 JCED CN1CC[C@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1554357905 JPXJBWGCTMUYOR-DENIHFKCSA-N 489.602 0.186 30 20 JCED CC1(C)COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1706933986 PLCUAWVGTUEBQS-GCJKJVERSA-N 495.650 0.852 30 20 JCED CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1710988112 OLFQMQHGXRRGCX-KRWDZBQOSA-N 461.548 0.207 30 20 JCED COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)N1CCOCC1 1712453305 IRLJGIBSCZVIFX-UHFFFAOYSA-N 456.503 0.942 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1728665898 JLUPDVQTUCPBMS-FQEVSTJZSA-N 494.600 0.570 30 20 JCED C[C@@H]1CCCN(C(C)(C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1752136860 XJRLHZBWOKNALC-CEXWTWQISA-N 495.650 0.850 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)CC1 1765636059 WEWWIEMBCXCUAG-QHCPKHFHSA-N 453.547 0.880 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1=O 1769896777 QNOMNYDOFIFMNF-IBGZPJMESA-N 481.557 0.607 30 20 JCED CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1777981291 RPDJTBBXKIEWRO-GEQKSPFYSA-N 457.531 0.898 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C1 1778077686 KUGJZWOTGUCDKH-FICUIRKSSA-N 452.577 0.894 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1779277587 HQQVNIUNXTYFNE-DGGJZMOXSA-N 464.563 0.976 30 20 JCED CN1CCN(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@H]3CCCCO3)C2)CC1 1779420936 AGRRBYAJGXTVRF-TYLZQDIOSA-N 479.622 0.667 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1781295764 PJXJABUYRMOYPG-WAIKUNEKSA-N 496.561 0.219 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1781689296 XGANYSNAMKWBPW-JVURDOHHSA-N 469.604 0.795 30 20 JCED O=C(CN(CCO)CCO)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C2)C1 1781742541 VYDLDNDUONAFAF-NDEPHWFRSA-N 491.588 0.817 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)C3)C1 1783277732 IUUVMNYCOCBBHA-ISNLERQRSA-N 488.585 0.507 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1784784407 MBGIWBILUCBRJE-XSLAGTTESA-N 452.552 0.572 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)c4ccccc4C3=O)[C@H]2C1 1785060456 OBNRMUQVJKJMFJ-SEONNTABSA-N 467.522 0.691 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1785305453 MCNOFAJMVVTONW-DGGJZMOXSA-N 464.563 0.812 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369034 CBNGRAQUTUJYST-DGGJZMOXSA-N 462.547 0.880 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1785380802 YVUISJBYRVMQBO-DEOSSOPVSA-N 474.477 0.484 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1788755600 QWKPIUFYVRDSHX-OQRYQMPQSA-N 454.527 0.780 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1789958351 PNRBNQJUNNOORW-HLXURNFRSA-N 496.605 0.995 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790225505 RZDHNBXNJJXQIB-CJCBUOBESA-N 451.520 0.971 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]3C2)cc1C#N 1790911803 JNGCIZGCNFWLNM-RRPUWOKSSA-N 488.585 0.225 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1792257725 KLRUYIQWAQCYJH-TXTZMMAHSA-N 462.547 0.161 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C(F)(F)F)cn1)C2 1792488834 YPMAQTBLYUYNLH-YOEGPNAJSA-N 453.421 0.557 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1793361349 IHHQKGYZUKNQGG-JCECYMMASA-N 483.562 0.624 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)cc1C#N 1795443219 CYZLZWHPDOCYSM-JHDGKUDLSA-N 456.543 0.881 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@H](N)C(N)=O)cc1C#N 1795641230 ZGQTUZOVPWZIGK-NYUBLWNDSA-N 457.531 0.141 30 20 JCED Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)c2ccccc21 1797172815 QMILXBIYBDOTMZ-INOOVHSBSA-N 468.558 0.401 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C(C)=O)CC1 1797934699 MJUXLGPEMDAOOU-PLACYPQZSA-N 489.617 0.705 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncnc1[C@H]1CN(Cc2ccccc2)CCO1 1797994930 FLQVHZBYDRSZJR-DAVFGYKESA-N 475.549 0.887 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnncc2C(=O)O)ccc1F 1798099638 ISZJAHXGORQAPE-YVWYUNDQSA-N 453.430 0.631 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2 1799231527 BDPLGTAWHGAFHC-MHORFTMASA-N 474.562 0.715 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1799249915 SNVFKOAYMWFAIF-BMQTXXJKSA-N 477.558 0.836 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C(F)(F)C1 1801072077 XOYIEIAONDHKTP-QOIOWGMHSA-N 499.511 0.946 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1)c1ccc(O)cc1 1801440490 UYUCILUZHLPHEX-FNHONLOCSA-N 452.515 0.727 30 20 JCED NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1807048084 OFKJFVNGJGLIMS-FCUQNDQTSA-N 460.535 0.209 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812391405 XLJGPMDVXRTPFI-XVRKRZFNSA-N 475.502 0.159 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819769929 GQZOOKMAXQNIMJ-BXNZEIDJSA-N 470.621 0.855 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1819850464 RWWQYCIPUQXFOS-AWEZNQCLSA-N 456.524 0.679 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803698 HNCVKXXOOVVGTR-QSPNRLKTSA-N 474.495 0.860 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(CCO)CCO)CC2 1828032585 DISZXWKMEGUVCH-INIZCTEOSA-N 473.555 0.292 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)N(C)C(C)=O)CCN2C(=O)OCc1ccccc1 1829055961 SZALUZUYBGVJHN-MHECFPHRSA-N 454.527 0.939 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccnc1 1830982959 IASBMILWITVKPV-HJPURHCSSA-N 463.498 0.962 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831420381 XVSXQHYLRAQFKH-KHCICDEESA-N 497.589 0.670 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832005481 KQWOXFJKYIVGML-GCKMJXCFSA-N 473.592 0.397 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832419728 PEWNDMIJDJAYRO-HSZRJFAPSA-N 451.564 0.828 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)c(O)n1 1833699659 HCXCLCIXTXHEIY-HSZRJFAPSA-N 455.515 0.942 30 20 JCED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)n[nH]1 1833824386 LQSUWYJPSVJYGW-QHCPKHFHSA-N 469.473 0.936 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1835103155 WUYHGAVVQXLVCU-HHHXNRCGSA-N 474.561 0.892 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835974476 GDUDOEFOJCBRQL-HXUWFJFHSA-N 454.911 0.502 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836371366 RJFMSQDOOOUMDK-KKHYBRAUSA-N 474.650 0.052 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)CC1 1836871698 RLISCPASXFBTOL-QGZVFWFLSA-N 462.547 0.847 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836994832 VKLMBJIHNVBMOJ-LJQANCHMSA-N 461.559 0.873 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1837431608 XEKWFHAYRAPWKZ-QFIPXVFZSA-N 460.607 0.891 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1837443709 GRPFVSILFGWLBI-WUKOTQDVSA-N 481.500 0.785 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cc1 1837527245 ZNGQNMIDAOULLO-IXZNILOLSA-N 491.541 0.714 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)NCc1ccco1 1837635619 BMGFGJQHVHDSMN-RFWISFFQSA-N 487.557 0.380 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(C(=O)OCC)c3)CCO2)C1 1838720602 VWOFOFZIDRFPQR-DVECYGJZSA-N 475.542 0.901 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838741939 JITILISABHCAKX-YZZKKUAISA-N 456.499 0.712 30 20 JCED Cc1c(Br)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)nn1C 1838770577 NZKDSSVDYQMRMN-SJCJKPOMSA-N 461.382 0.879 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)NC(=O)CS3)CCO2 1839578535 HQAIYOTXLAYCDR-QFIPXVFZSA-N 458.540 0.999 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839773814 OPVJVMCRBBVIFO-BFZGPVSBSA-N 495.573 0.905 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1839800825 GFGVSZXQMSQNPT-XMMPIXPASA-N 474.579 0.893 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C2)C1 1839809736 JPGBPHNZZNLOHO-UUOWRZLLSA-N 468.558 0.357 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)ccc1Br 1839873463 XGPYCLINIDEMLZ-IERDGZPVSA-N 491.342 0.527 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839959745 UFRXETLYXZVOJL-NVQXNPDNSA-N 470.566 0.745 30 20 JCED CN(C)[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(Cl)cc1 1840044573 MEJAENDLGJCWCB-UNMCSNQZSA-N 463.918 0.487 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1840072052 SGLUGIJQPUGBNM-IMRHEYAYSA-N 467.563 0.779 30 20 JCED COc1ccc(OC)c(C(=O)CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840147857 BNYUMYATZSFMQH-XMMPIXPASA-N 488.493 0.211 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(I)cnn3C)C2)C1 1840160535 JZTVVXATKIVWME-BZNIZROVSA-N 494.355 0.413 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840162840 JJNVGDQBGGVKPR-BXTJHSDWSA-N 461.581 0.037 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1840164990 UNRMZYXFJKWXHL-OWHDLTKUSA-N 499.630 0.786 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840294704 OAVNDERRSXFXAY-YADARESESA-N 481.590 0.912 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4ncc[nH]4)CCO3)C2)c(C#N)c1 1840325582 GMIHHDDPEILSDI-DEOSSOPVSA-N 467.526 0.922 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)n1cnnn1 1840476623 KPQYWAWBWFTWPN-BFUOFWGJSA-N 494.434 0.290 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568613 FCEBODAEAVIAIO-WZONZLPQSA-N 466.579 0.474 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840843445 QADHJMRGNFLIGY-VGOFRKELSA-N 453.536 0.132 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840845412 WOEBVYYFHRGCLP-JPYJTQIMSA-N 465.547 0.492 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1840906446 BTZIWMYKULJGNF-NTKDMRAZSA-N 489.573 0.715 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1840909182 NYTUMTPNBKYQNO-NYHFZMIOSA-N 493.586 0.712 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCC)C2)C1 1840913050 VQUGSQNSYBZKMV-MQNAVGNWSA-N 467.563 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1 1845220703 JECUMBSZROBTDL-PTZVLDCSSA-N 450.536 0.324 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)NC(=O)OCC 1847939889 KFYWJJROXOBQRN-FXUDXRNXSA-N 454.524 0.722 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O)NC(=O)OC(C)(C)C 1848128390 IQGTWYZAXZQWRM-UGUYLWEFSA-N 463.535 0.646 30 20 JCED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C(N)=O)C(N)=O)c1 23388261 SRORWTOLBAJNRA-UHFFFAOYSA-N 480.930 0.799 30 20 JCED COC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 516012506 MROHCNMPQTYPOH-UHFFFAOYSA-N 456.480 0.816 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)c(C)c2)c1=O 517154855 YXIUWBFANNBWER-UHFFFAOYSA-N 456.543 0.495 30 20 JCED CCOc1ccc(OCC)c(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccnn3C)c2=O)c1 524275729 UZFLBKWDRDMFCV-UHFFFAOYSA-N 497.577 0.696 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cc(F)c(F)c(F)c3)c2=O)cn1 609074439 NCERALBLVATDNV-UHFFFAOYSA-N 489.479 0.895 30 20 JCED N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 609430882 XUGDQGDWTJHCTA-UHFFFAOYSA-N 456.480 0.801 30 20 JCED Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCc3ccc(C#N)cc3)CC2)cn1C 726199488 ASDONXCGYIVFJQ-UHFFFAOYSA-N 459.528 0.861 30 20 JCED CCOC(=O)c1sc(NC(=C2C(=O)NC(=S)NC2=O)[C@H](F)C(=O)OC)c(C#N)c1C 814334811 DEIBMIKWKOLANN-VIFPVBQESA-N 454.461 0.813 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)CC2)o1 915380901 XEQUWPWRXWFLHG-ZDUSSCGKSA-N 479.490 0.553 30 20 JCED Cn1ncc2c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)cnc21 916948949 INLKVZZWKYDACH-QGZVFWFLSA-N 497.537 0.652 30 20 JCED N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 918293025 UWQSMWMACJHCMW-UHFFFAOYSA-N 473.467 0.969 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 920346371 CTCSVEWHFXPEGY-KRWDZBQOSA-N 456.524 0.950 30 20 JCED CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1295879096 ULOWSOBSRUIIPQ-UHFFFAOYSA-N 460.560 0.937 30 20 JCED CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)cn1 1295933943 LLBNQSXOETVGOF-IBGZPJMESA-N 450.503 0.945 30 20 JCED CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1299252063 PVIXIASKPMQOAS-HNNXBMFYSA-N 475.550 0.654 30 20 JCED CCN1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1313911456 JZAXTCHWOJZSRD-KURKYZTESA-N 467.596 0.214 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1503828327 NHAQMYCOHNVRSQ-GOSISDBHSA-N 468.562 0.911 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503840230 UNTUTJUGIBBZSR-KRWDZBQOSA-N 475.575 0.591 30 20 JCED COc1cc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)ccc1C 1554750723 XSNFANGJYRDTLY-AZUAARDMSA-N 490.586 0.900 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCO[C@H](C)C1 1693849941 OJSDZNQHIFIHIM-OTWHNJEPSA-N 483.639 0.850 30 20 JCED CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1696582585 IORFGDHVEXOWQO-QGZVFWFLSA-N 452.519 0.811 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOCC1 1705688752 UMELNPLNDCPHBO-OAHLLOKOSA-N 493.428 0.288 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1749830519 MBDRYRFDWVZGEL-KRWDZBQOSA-N 454.597 0.657 30 20 JCED Cc1nn(C)c(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1751823469 NSVATNSWUQCIII-CXAGYDPISA-N 450.569 0.748 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760374500 QPEGLOOMGOZJPC-HUUCEWRRSA-N 482.028 0.767 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1768464605 MGDRBVQBOKHKJV-UHFFFAOYSA-N 494.600 0.985 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1769088179 OSJKUPOYDHFENO-MRXNPFEDSA-N 488.618 0.859 30 20 JCED COc1cccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1770303538 LVGZWCLZHCQOAT-SJLPKXTDSA-N 474.543 0.348 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777711670 IDKPGIOSENNEMP-SOIKWTOOSA-N 464.544 0.004 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCOCCOCCOCCOC)CCO2)C1 1778978154 DHBCXRZHIBIZAS-RDPSFJRHSA-N 486.606 0.476 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1779139425 SNENKWSEJWUIFO-HPTBBYBNSA-N 455.515 0.829 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779180492 PKJDQMYKKGAJRC-MTPLMZCSSA-N 454.487 0.137 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779442782 GTLBQPSVHPSWLV-JQKIVAFZSA-N 450.492 0.277 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1781051638 YCXKTYPOOSEMFJ-XHEQAZEVSA-N 498.577 0.872 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781353317 KESPHTXKQUQFHP-QQMNAOGKSA-N 469.579 0.665 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783915680 JNUJNNGKSFZXDT-UFYCRDLUSA-N 457.600 0.955 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=S)NC)C[C@@H]21 1784785796 RGUHBHYNEDGKIW-FJIDUMEYSA-N 497.662 0.920 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)cn2[nH]cnc(=O)c12 1785379669 ALGLHRAKSJBPRL-DEOSSOPVSA-N 476.493 0.725 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785587918 WSAVBZPFTYRBCN-LNMJFAINSA-N 466.560 0.879 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21 1788470855 JKOBYZMCWMJTTI-HEWDHTHVSA-N 499.446 0.630 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc5ncccn5n4)C[C@@H]32)c1 1789257436 CWDPWTPVQYOVRJ-SNRMKQJTSA-N 461.482 0.912 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)N4CCN(C)CC4)C[C@@H]32)c(C#N)c1 1789841344 FCVOSWBKBCLVTG-BTDFZRAWSA-N 483.613 0.725 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cncnc3)C[C@@H]21 1792261254 FCMRNBZJHXLXLV-HAGHYFMRSA-N 471.558 0.915 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-c3ccc(O)nn3)cc1)C2 1792490626 JQDVULRCZZMPIP-NFRAVTBUSA-N 477.521 0.911 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)ccc1-n1ccnn1)C2 1792490785 NJYRFAVFLIICGM-GUGIZKONSA-N 464.526 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cn3c(nc1=O)SCC3)C2 1792566711 XTICLPDWQNLGER-LJGIQUCRSA-N 457.556 0.388 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)O2)C1 1792606283 QSQGWASVOGZDSN-YYIAUSFCSA-N 461.515 0.881 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1793593806 VRHGTZWKAGOASU-RCJHGTSTSA-N 476.530 0.758 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2 1793597675 RTQIDSHUDDACPY-PJVZLEMVSA-N 482.578 0.197 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 1795598295 ABMZONZMTNXENW-OPVJXMOQSA-N 451.531 0.752 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)c(C(F)(F)F)n1 1795996933 CKHQZSXZARJTQS-NOXHYTERSA-N 486.472 0.752 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)nn1-c1cccc(=O)n1C 1796388234 SMNSNUNIJISQGZ-LFMNPONJSA-N 478.553 0.990 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[n+]([O-])cc1 1798359125 YGJCEMHGYKRMEN-FCGDIQPGSA-N 460.531 0.993 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1799390119 XJTMILDOYNSZNP-KWWJQKEASA-N 480.562 0.955 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)c(Cl)c1 1799749632 KZQPYSWWBGOLHU-USGNIVHTSA-N 456.886 0.730 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800209064 CBKVZCQRVVWFHS-QOIOWGMHSA-N 489.529 0.067 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1800788577 ZESCZBKIAZYONP-JUKXBMAYSA-N 474.558 0.639 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2)c1ccc(O)cc1 1801057986 BZQYYUVETGHYHQ-CROMWVBPSA-N 472.611 0.963 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1802085880 UIRBJBSNNYREKT-QKPAOTATSA-N 464.519 0.336 30 20 JCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)cc1 1802103604 BOZUOCUIZITCME-UPHUGPLXSA-N 472.592 0.941 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nc1)C2 1802125651 MOMQUFUFATUGQU-SFNKJDCFSA-N 458.515 0.907 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804192284 LRAWAVFMTQNEBN-SXLOBPIMSA-N 468.645 0.772 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810147431 NQMWFPUJRUSOGC-FCDDRNRXSA-N 452.519 0.279 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1810247129 SCZOERCPCCHIEI-VDGAXYAQSA-N 466.542 0.914 30 20 JCED O=C(CN1C(=O)CNC1=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1815597035 MVQIXQFOHDCXFF-MRXNPFEDSA-N 456.503 0.652 30 20 JCED CN(CC(=O)N[C@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1)C(=O)C(=O)O 1819848927 ROHSFECOVXXHRX-ZDUSSCGKSA-N 462.528 0.297 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1822918381 KWTYTGVYMWOQFU-CYBMUJFWSA-N 460.512 0.880 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1828808483 UNXGIPCVEZLQAZ-WMZHIEFXSA-N 488.566 0.929 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCN2C(=O)OCc1ccccc1 1828877249 GJHLQHCBLQOVFF-FDDCHVKYSA-N 453.499 0.631 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)Cn4cnnn4)CCN3C(=O)OCc3ccccc3)C2)CCC1 1829016632 BYVZXXOLNLVWSU-DEOSSOPVSA-N 492.540 0.819 30 20 JCED CO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829365509 GEAASZMFFOZRNZ-GAJHUEQPSA-N 457.483 0.561 30 20 JCED CC(C)N(C)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829415961 OVJQYZCNXQXCGJ-VWLOTQADSA-N 484.553 0.867 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829466841 RHRNMZHOTNUMOG-XMMPIXPASA-N 451.479 0.940 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1829765164 JQOCDZUXUGSKDZ-VRWDYKOXSA-N 471.510 0.273 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(OC)c3)C2)C1 1829769281 QNZAWYCIEUNDOK-WEHRJKGCSA-N 473.526 0.632 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cc1 1829904299 OBDJQPYSBWRQDI-NRFANRHFSA-N 454.443 0.502 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830178262 DUUFOGVXXVFZQV-JTSKRJEESA-N 464.540 0.198 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468004 BWWVAYPATFWKRO-UZUQRXQVSA-N 476.961 0.856 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831280404 CICJMKKVNQHMRS-UZFJHSOTSA-N 480.562 0.048 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1831397305 QMMBRNHWCFTGSU-QRQCRPRQSA-N 477.470 0.417 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831464977 WWYIOSDYONLJMG-NYHFZMIOSA-N 489.554 0.185 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1833451721 ZQFJDVSFRQOCRR-MRXNPFEDSA-N 453.609 0.580 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)c3ncn4nc(N5CCOCC5)ccc34)CC2)CC1 1834927680 GCAMMIDNBFVLMY-UHFFFAOYSA-N 465.558 0.384 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1835675236 YWYKJVYBUZGJAG-CVDCTZTESA-N 458.563 0.210 30 20 JCED Cc1c(C(=O)NC2CCN(C3CCN(C(=O)C#CC4CC4)CC3)CC2)cn2[nH]cnc(=O)c12 1836090164 VFHSFMOZOPEMTM-UHFFFAOYSA-N 450.543 0.930 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489600 NUDNCFMERMZIMQ-DEOSSOPVSA-N 460.575 0.423 30 20 JCED Cc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1F 1837525548 XFAIVOAHLXQNHY-BNYUCHOMSA-N 453.471 0.456 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1837531409 LYSWMVYVZSQPIC-PFXZFEEPSA-N 492.573 0.373 30 20 JCED CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)C(=O)O 1837884378 CGEKVLPHEOGKOR-IVLDLLIGSA-N 468.551 0.577 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c1Cl 1838600433 XDLGAUNVGVQTDS-NRFANRHFSA-N 458.906 0.963 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1839175059 MYZQKWVMJGVBQL-XMMPIXPASA-N 487.509 0.597 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c1 1839420861 JUPOOUYYCQVTMC-IYZQMXKPSA-N 456.474 0.602 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486215 NLPILAOJEWSIGU-WNSKOXEYSA-N 468.514 0.419 30 20 JCED COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(OC)c1 1839796771 VGDITVLHZAYYBM-QHCPKHFHSA-N 460.483 0.181 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840164807 QKULFGXGZVQJOV-NYHFZMIOSA-N 498.602 0.527 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269837 CYFGNYMXRUGCBD-ZYOISVLGSA-N 453.536 0.523 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c1 1840380925 BSRNEZBUYMPNCR-OAQYLSRUSA-N 472.527 0.547 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c(C#N)c1 1840447759 CIRMROXPTJHZLJ-QHCPKHFHSA-N 468.514 0.248 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C(=O)N(C)C)c1)CCO2 1840789620 RPHVAHCFIPZDDG-RUZDIDTESA-N 487.553 0.968 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1840913966 RRIUABKBDNGJLS-LHRYSNJFSA-N 494.589 0.437 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1841024048 LNROCHPWPZVXPQ-MZIIKBMYSA-N 476.574 0.666 30 20 JCED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)CN2CCN(C(C)=O)CC2)C3)c(O)n1 1842297380 CRABLYJRHPVODR-UHFFFAOYSA-N 455.559 0.887 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1847259911 FKHCZXXYECGMPU-YVTOIMNASA-N 496.630 0.709 30 20 JCED COc1ccc(CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 11354084 HLCCGEFVLNISFD-NRFANRHFSA-N 465.528 0.610 30 20 JCED C=CCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 11676893 MXCGKTSHDOHJIR-UHFFFAOYSA-N 457.936 0.799 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2)c1=O 501769742 IRCIXPCUODNNTD-UHFFFAOYSA-N 459.499 0.364 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(=O)N(C)C 604270465 QIFDLXMYFSDQMS-UHFFFAOYSA-N 483.413 0.850 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCNS(C)(=O)=O)c2=O)c1 608912683 UXIMPCOHBRSJJD-UHFFFAOYSA-N 490.607 0.029 30 20 JCED Cn1nc(Br)c2c(=O)n(CC(=O)OCC(=O)NCc3cccc(C#N)c3)cnc21 727221049 BLJQNPNOAKNLQY-UHFFFAOYSA-N 459.260 0.624 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCc2cccs2)c1=O 727815081 WDFWDJRWRROXNF-UHFFFAOYSA-N 483.619 0.926 30 20 JCED C#CCNC(=O)CN1CCN(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 728573443 WHAXPTHZZSCTCA-UHFFFAOYSA-N 461.588 0.167 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nc1 729012274 MTHVKOGRVIRSEB-UHFFFAOYSA-N 459.480 0.888 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 824404812 XFDDUBQDQOWAKP-CQSZACIVSA-N 468.470 0.321 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N(CCC#N)CCC#N)cc2)CC1 844267170 NYAAGYHXJDIWFN-UHFFFAOYSA-N 475.527 0.352 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3cc(Br)ccc3=O)CC2)o1 915392966 UNELDQAXNQUFMM-UHFFFAOYSA-N 464.276 0.671 30 20 JCED N#Cc1ccc(CNC(=O)CN2C(=O)N[C@@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)cc1 915661081 JDKUKUAXMUXQII-OAQYLSRUSA-N 456.455 0.938 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)ccc2C)c1=O 916198784 WPQGBXFCMTVMAZ-UHFFFAOYSA-N 470.595 0.125 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 918237702 IECWECNNYJZEFJ-HKOYGPOVSA-N 493.567 0.402 30 20 JCED CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918307374 VACHDZFPWSIYHI-XQNSMLJCSA-N 451.549 0.811 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 918729411 BVAYGARBABQWEE-UHFFFAOYSA-N 470.599 0.511 30 20 JCED C=CCOc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1OC 919986468 NLMGTLYFQWSSFY-SUQGKYDKSA-N 484.596 0.934 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1298199854 VWIVRNASTHDJCX-UHFFFAOYSA-N 453.547 0.834 30 20 JCED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCNS(=O)(=O)c2ccccc2)CCO1 1505326740 ZBNHSWQNORZKIF-INIZCTEOSA-N 459.532 0.108 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCS(=O)(=O)C1 1510175116 LZZYLCSCYGRLJJ-GOEBONIOSA-N 458.610 0.843 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1512583148 QFILWRMOESLKHJ-DKZVUGQWSA-N 490.586 0.659 30 20 JCED COc1cc(C)cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1517948797 MBSFJJWDPIXWIK-RTBURBONSA-N 476.559 0.705 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1593887207 XWNOSLKGIBYORG-VKJFTORMSA-N 461.972 0.748 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1618839956 JQSVYXSJEFRHKQ-UHFFFAOYSA-N 452.562 0.379 30 20 JCED COc1cc2c(cc1S(=O)(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)C(=O)NCCC2 1663408791 MJIURZASJVDVME-UHFFFAOYSA-N 458.544 0.796 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCN2CCCC2)C1 1712706337 LHCPXZMORYWRLP-SFHVURJKSA-N 451.597 0.837 30 20 JCED CCc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1744376799 POZMGVVMPJELTO-MOPGFXCFSA-N 460.560 0.950 30 20 JCED C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(C)(=O)=O 1750063965 VSYFXBBVZBMUAH-CQSZACIVSA-N 454.578 0.836 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(O)CCN(C)C1 1762290297 NCLHFBSKICRQSX-DEOSSOPVSA-N 481.605 0.856 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)CC)CCO2)C1 1778921778 TVQGURHWZLAPGU-WAIKUNEKSA-N 496.561 0.601 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)n1)CCO2 1779100909 FWEDNKJVBBNJCG-NSJZWROTSA-N 487.557 0.891 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1779139560 TUWXSIWKJGAYRH-DXPRYJPLSA-N 451.527 0.925 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1779200933 RHDJWMZUISWPNN-BPNVSAQNSA-N 470.523 0.094 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2ccccc2C(=O)OCCO)CCO3)c1 1780333825 HYEBGGUFEGTXBK-QHCPKHFHSA-N 452.467 0.793 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783557516 HWAUJYZBYWDCSE-GAJHUEQPSA-N 463.531 0.942 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCc3ccccc3)C2)C1 1783685800 KOVIURWPNORRMQ-XMMPIXPASA-N 474.510 0.154 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CCO2 1783914480 YQMHWVSJSVIBNH-QFIPXVFZSA-N 455.552 0.950 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637530 YTLZLCYTGMFONR-UVUJQTEASA-N 485.585 0.135 30 20 JCED O=C(COc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1790590639 WSHYIMVDWHSEBB-XJKIKEKASA-N 463.491 0.070 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)[C@H]2C1 1791103248 SVCDNJIQLSVERC-FKSLSLAPSA-N 495.573 0.461 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791329686 AAIIVRNVDBKAEY-XTHUUODCSA-N 479.574 0.376 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1792317949 GOWPGNMTGWXSNN-AKSSPNHOSA-N 494.564 0.784 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)ccc1Br 1793164555 FMZCGKBBNQXQGH-JLVBRIDZSA-N 477.315 0.976 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1793593621 SLYRSIAVWLMDCP-KYFSNAEOSA-N 490.557 0.361 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1793595104 KMUOCNAMOHHXPU-WXQHOCMDSA-N 468.551 0.108 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1793595980 VEAMRGSZJBKYDZ-IVSAIRAKSA-N 459.565 0.090 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1)C(C)(C)S 1795894353 JXRAQZVIMZXBEW-YALNPMBYSA-N 482.607 0.469 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1795894724 DNCPMBOLMXJUQK-XEZGLNCPSA-N 482.578 0.747 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccn4c(O)nnc24)C3)c1 1798576659 JGGQXEHBHOCTGF-HGKCTWBKSA-N 462.466 0.832 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1799320971 XHHXXZHGEDYAFO-BFMVXSJESA-N 478.590 0.962 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1799390095 WJKJRXNUCSRNLW-UHDSXZAQSA-N 456.540 0.263 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1800723993 XPTOILUDHWJAFG-CDPKGHFDSA-N 491.585 0.496 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13CCN(C(=O)OCc1ccccc1)C3)C2 1800779075 RGKISIUXAPQMAW-DCEYLATCSA-N 495.532 0.713 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(N)=O 1802164553 BFTJGISGHNJNBP-JYYAWHABSA-N 453.540 0.104 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H](CNC(=O)C(O)O)[C@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1802929563 ZMBSBOGWTQYJMF-FGTMMUONSA-N 460.531 0.964 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804193989 GPZBZHDFOYDHHS-ZJOUEHCJSA-N 478.615 0.391 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cccnc2C(N)=O)[C@@H]1c1cccnc1 1804806850 CPMBHECXFVXXQD-WPVDLGPGSA-N 462.510 0.754 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC2(CCN(C(=O)CN(CCO)CCO)CC2)C1 1806366779 ULKWHMBPLKIYRY-FQEVSTJZSA-N 496.649 0.974 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1808441846 ZQDRJFBSZAQUJV-VQIMIIECSA-N 468.447 0.322 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)[C@@H](O)N1CCOCC1 1810354059 NLYDMXPDVAGTBR-ODGPQVTHSA-N 470.570 0.437 30 20 JCED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)cc1 1811354538 JUEMWDCLILWFQR-NQIIRXRSSA-N 483.492 0.907 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1812878368 UTYFIEHZJICZCZ-TWFHAPMSSA-N 486.525 0.403 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCCNC3=O)[nH]n1 1814438504 PAUBHPWHRJRLKG-ZPUOCTKUSA-N 480.529 0.904 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cc(C)c(O)nc1=O)CC2 1819722456 QYFOPTHBHYCAJA-IUODEOHRSA-N 461.544 0.899 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1819896243 LUIGMTADMMEUIK-HRIKYKFHSA-N 464.504 0.182 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1828810596 OGWJXYMLDPASAK-NTKDMRAZSA-N 467.526 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)CC1 1828950261 FDFOGDXTVZLPOY-VOWRWHFZSA-N 477.558 0.959 30 20 JCED O=C(C#CC1CC1)N1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCN2C(=O)OCc1ccccc1 1829014144 OVVPVEJEDXOIQO-DEOSSOPVSA-N 477.525 0.539 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]n3)CCN2C(=O)OCc2ccccc2)C1 1829034458 WGXGWVLWLKMQIB-MHECFPHRSA-N 480.525 0.909 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccncn1)CCN2C(=O)OCc1ccccc1 1829060880 AFBOSIZLDLDIAV-XMMPIXPASA-N 477.477 0.630 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCN2C(=O)OCc1ccccc1 1829243672 DOYVLRMUNLRRID-DEOSSOPVSA-N 486.525 0.558 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccncc3O)C2)C1 1829332185 BRUPNFWSJHOSRZ-RUZDIDTESA-N 492.488 0.941 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccnc4c3)C2)C1 1829766328 RMUMLURFIOGYEA-XLQQFJOYSA-N 465.510 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1829770560 YBNKTGACJZWCKW-GYLQWBMOSA-N 453.499 0.263 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)c4n[nH]cc4c3)C2)C1 1829771519 ULHKFCHWAMLQRE-UUMVVRSSSA-N 467.526 0.800 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1831387254 FYFRNULZBDUOKU-CYFREDJKSA-N 497.589 0.413 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccccc3C(=O)OC)C2)C1 1831387727 JXGRKURAOZPRMR-CLOONOSVSA-N 472.538 0.901 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1831391882 XBLGOJXVJIRJMX-WMZHIEFXSA-N 478.567 0.345 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 1831397894 ZHHOWSTWYHJRNL-CYFREDJKSA-N 452.511 0.981 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1831491100 VUOWCONEMNMFJL-YLJYHZDGSA-N 477.649 0.069 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1831498673 OPNWZYHAPRDBCG-CRAIPNDOSA-N 461.631 0.258 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1831999037 XHLVVHYUJLICRG-MHECFPHRSA-N 496.605 0.827 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCc4sccc4C3)CCO2)C1 1832586003 FKZDYZFSYFYKBK-JPYJTQIMSA-N 461.584 0.601 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833033343 YLYRHTFQCPLSSZ-QFIPXVFZSA-N 479.555 0.444 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833614450 GGNLTMCHRNINDH-NTKDMRAZSA-N 474.558 0.579 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnn4)C3)C2)c(O)n1 1833700029 OGOQVAJJPOEOOV-DEOSSOPVSA-N 483.525 0.845 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338583 MFLBKODWWUDXNM-GAJHUEQPSA-N 476.530 0.325 30 20 JCED CCOC(=O)N(CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)Cc1ccco1 1835364504 WOJBFSDKIDJYRV-JOCHJYFZSA-N 462.503 0.998 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835365662 PJZLLMUMTLTVHF-VGOFRKELSA-N 466.535 0.382 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)cc(C(F)(F)F)c1 1835399197 YSUPBTXTZFCAAD-QFIPXVFZSA-N 496.486 0.979 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835415408 RWCFWSBHXOUIIY-QHCPKHFHSA-N 456.499 0.016 30 20 JCED COc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835675618 ZHYKJLFRPQYRMH-XMMPIXPASA-N 473.574 0.761 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835705333 GKUQWDGMLFLAHG-ISKFKSNPSA-N 465.510 0.488 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3ccnnc3O)CC2)CC1 1835769503 VRFGFDRLENXCSZ-FBTHGLLTSA-N 460.535 0.896 30 20 JCED CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)CC1 1836666592 RYEDTXDHJOLJSA-RUZDIDTESA-N 469.586 0.195 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1836857214 IEZHBYBDCHZOMO-OAHLLOKOSA-N 478.571 0.489 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837375918 TYYHAQHIZUTTKG-MHECFPHRSA-N 471.558 0.655 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1837397095 MOWIRMFKMORAPK-HYBUGGRVSA-N 494.610 0.880 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1837397888 XJZBTCOVTDVPNN-HOYKHHGWSA-N 472.542 0.609 30 20 JCED O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837446922 KQWLIWKSOBIHMH-AEQAEVNRSA-N 488.541 0.745 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)ccn1 1837531691 TWGSSUKJVBLGAD-PIVQEWKSSA-N 462.503 0.689 30 20 JCED CCOC(CC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)OCC 1837567253 AHXHZIGCQBTTJC-IGPUNGKJSA-N 451.520 0.944 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1)c1ccccc1 1837615230 DJTNJUHNJPBJJH-HYBUGGRVSA-N 457.527 0.996 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837704519 WSUIJDQVMFSAOF-SBUREZEXSA-N 456.499 0.084 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)ccn1 1837977312 CJHRKVVZZWAXEB-ROZQTZPBSA-N 462.503 0.689 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)c(C#N)c1 1838375633 GJQJKVMGSHMGMU-QHCPKHFHSA-N 467.482 0.375 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)n1 1838737519 WXXLSPNZULZWRA-OAQYLSRUSA-N 470.442 0.582 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C)[nH]n4)C3)C2)c(C#N)c1 1839132899 SKTVVXVGMHWXCD-HSZRJFAPSA-N 453.499 0.911 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1839174597 LUFWZOUHHHUYSD-XMMPIXPASA-N 486.525 0.546 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839175575 RGXVTCJJLWCCIG-QHCPKHFHSA-N 471.514 0.238 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839203565 OWBVQBBZMVLUBW-OPAMFIHVSA-N 468.551 0.268 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1839209612 ZMHWGRMEGAAPRZ-VGOFRKELSA-N 487.619 0.638 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839361569 ROFBTVLVZAXRTM-QFIPXVFZSA-N 461.540 0.729 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1839761448 KBBWYTBNQJGBJA-GEEYGDQWSA-N 467.519 0.315 30 20 JCED C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840026596 OSZHZHRRXZZOIO-SBUREZEXSA-N 480.562 0.364 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1840081810 JIUCXHWKSWVQSX-VWLOTQADSA-N 498.617 0.907 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840445986 XVLKMVRONCXYCL-MBSDFSHPSA-N 492.577 0.594 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840452561 VRPXVUYKAKZHKN-FDDCHVKYSA-N 459.547 0.587 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C3)C2)c1 1840714330 QCCLEWUJQICONO-UPCLLVRISA-N 491.508 0.428 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1)NC(=O)OC(C)(C)C 1840795799 COGPCXNGARMUSB-WZONZLPQSA-N 492.577 0.594 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840817966 CUVBVMJXYUSSJY-WMZHIEFXSA-N 458.515 0.308 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1840840947 VPYHNAFXNPBJPA-UTSGNWPNSA-N 457.527 0.036 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1840909433 ZLQSPHRCCKHHNZ-NTKDMRAZSA-N 488.541 0.774 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)cc1OC)CCO2 1840932727 RINZNMWAPFBALF-POUSAUBHSA-N 475.517 0.692 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1844738675 VTXFWAQHFYFYLF-HJWRWDBZSA-N 452.471 0.354 30 20 JCED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1846257734 WNXKPPKSOUWRPH-UHFFFAOYSA-N 475.542 0.837 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1=O 10851508 QSGBRRSLZRUFAR-GJZGRUSLSA-N 475.527 0.338 30 20 JCED N#Cc1c(CCCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)nn(-c2ccc(F)cc2)c1N 30686091 FMJFMFRQRPHHPX-UHFFFAOYSA-N 490.293 0.827 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc2c(c1)OCCO2 514879177 JMWUONREUZGVDE-UHFFFAOYSA-N 477.498 0.706 30 20 JCED COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 517336822 HEVUPGUFMUVLFK-UHFFFAOYSA-N 464.482 0.533 30 20 JCED Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(C(N)=O)cc3)c2=O)s1 726577160 KMSMENKMPZHHOG-UHFFFAOYSA-N 465.560 0.888 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C#N)c(Cl)c1 726577354 OYPGYMDUCJDWLO-CYBMUJFWSA-N 482.953 0.812 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 727010339 VGVSDGBEBYAAMO-UHFFFAOYSA-N 481.484 0.753 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 731232932 OPZQCJRNOPFZAN-UHFFFAOYSA-N 461.547 0.702 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c1=O 747366336 YFMVCCLBXDYXSN-IAGOWNOFSA-N 455.515 0.796 30 20 JCED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 919664361 FTQLIYBNCMEUBZ-GOSISDBHSA-N 450.517 0.015 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)cc1 919800507 LMIPXIAMEDMWRV-LGUFXXKBSA-N 497.533 0.850 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 928870796 XBWVCNNHLSTDMO-PBHICJAKSA-N 478.571 0.940 30 20 JCED N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)C2=O)cc1 1139811446 MOHOCOAXBIKHBN-NRFANRHFSA-N 457.490 0.847 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 1303639475 FLPXJNNZQURWAM-DOTOQJQBSA-N 467.596 0.798 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1359447292 SPIUKRWHWMFGAP-UYAOXDASSA-N 472.571 0.983 30 20 JCED CC[S@@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1503292282 WNARCNILTMGNBW-IBADJEFMSA-N 497.622 0.994 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)c1 1505121983 MLTIMFQELBGDIM-KRWDZBQOSA-N 474.543 0.326 30 20 JCED CCS(=O)(=O)NCCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516855223 HUKXYOURYBMXCL-LJQANCHMSA-N 473.603 0.993 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCOCC1 1541804474 WROPQLLFINWCBV-JKSUJKDBSA-N 456.569 0.281 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C[S@](C)=O)cc1 1541945961 NTSJTDMBIOILCL-NQHWOYTFSA-N 466.589 0.544 30 20 JCED C[C@@H]1CN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1545094766 ZMHNRXXQDVPZOM-ZACQAIPSSA-N 455.585 0.118 30 20 JCED CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)S(C)(=O)=O 1547573612 MTXTWHYLMOUFNY-SFHVURJKSA-N 472.575 0.702 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(O)CCN(C)C1 1692544623 VNBJOGNTCRXXGB-QFIPXVFZSA-N 453.551 0.076 30 20 JCED Cc1ccc(C(=O)NCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1693015982 OUWRCSMTHGJLPS-MJGOQNOKSA-N 489.602 0.945 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1710875068 OGHCWJKBVNZMHQ-UHFFFAOYSA-N 466.589 0.723 30 20 JCED COCCN(C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712419930 UNSSCWJEBWWLPE-LJQANCHMSA-N 467.578 0.791 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1766702243 PZDCJSAGUYETKM-MRXNPFEDSA-N 458.610 0.592 30 20 JCED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1=O 1767094939 OYUIFLUVFWQQBJ-UHFFFAOYSA-N 461.548 0.337 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)cc1 1778376899 RMQFHHXZHNCZOY-VWLOTQADSA-N 476.537 0.965 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](O)N3CCOCC3)C2)cc1 1779410266 LRXGCUGDGMVGQP-NQHRYMMQSA-N 470.570 0.655 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779543634 XOWZPEKZXCYSOX-YVEFUNNKSA-N 472.283 0.496 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1780173652 BEPWWXLNKSGVMU-JOCHJYFZSA-N 450.455 0.213 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1780337782 ITEGEFBSTQPMHW-DHIUTWEWSA-N 473.530 0.702 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)C4(N5CCN(C)CC5)CC4)C3)C2)c1 1781107964 LMQBPNGMCBIXLL-XMMPIXPASA-N 467.570 0.790 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO3)c(C#N)c1 1781174154 MYVJCANLSWFNBO-RDPSFJRHSA-N 488.541 0.782 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C13CCN(C(=O)OC(C)(C)C)CC3)CCO2 1783056013 KJAHGKAQZHBLNW-HXOBKFHXSA-N 474.558 0.213 30 20 JCED C[C@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565029 HWDONNQDQXLNPO-UIOOFZCWSA-N 492.532 0.318 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)CCO2)C1 1783900022 JDNWRLKIYHGMBU-YCRPNKLZSA-N 470.592 0.214 30 20 JCED O=C(CNC(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1785335901 JQSVRPUDYVAUSC-PCXFNGIVSA-N 461.588 0.929 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC)C[C@@H]21 1788544131 OQJXCFUCRWNMHG-FJIDUMEYSA-N 498.577 0.418 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)[C@H]4SC(=N)NC4=O)C[C@@H]32)c1 1789257518 NCFSHZQLBLQCFA-LNVXBPMESA-N 485.566 0.963 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C[C@@H]32)c1 1790271296 NVBIWKZATMRCAY-KNBMTAEXSA-N 483.550 0.925 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327502 NEPLOVTTYDPRNU-UJNZZBMASA-N 467.530 0.735 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccc(Br)cn34)C[C@@H]21 1791077414 XNPSNERWQPJKDS-NOLJZWGESA-N 475.299 0.778 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792147357 NXRNJUQJRZJZOP-BLKABHOGSA-N 487.509 0.412 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792272680 UAEQSFBGEPTCCX-VGWMRTNUSA-N 488.532 0.946 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)[C@H]2C1 1792344027 YWMJEFJXTUGBDE-QUSNUVHPSA-N 457.593 0.920 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOCCOC)C2 1793353117 IGAWAWUUPCWNJA-RUMRUAAYSA-N 486.606 0.645 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077336 DNECAMGTGVIWHN-YEQXBCCHSA-N 456.565 0.152 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597446 LDWMIYSQXJVKGB-MHORFTMASA-N 481.594 0.134 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1797703618 AGYVICZWYMFVFJ-MDMSPXHWSA-N 469.579 0.425 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cc(C)on2)c(O)n1 1797826722 FMLONRXQROFFSS-VPTLXERWSA-N 483.525 0.835 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1799392614 BFAYDEVBGYYYOP-NYCLONFESA-N 472.502 0.683 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1801002186 WVGIJBYDFYQMOT-DFGXFYAUSA-N 467.567 0.494 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC 1801205256 UCORKRRBHJODFP-RCLSDMTESA-N 488.541 0.803 30 20 JCED CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1802680213 MEJYCPALQNPNBY-ZUSRMGFASA-N 460.535 0.888 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811192605 WIOXUPMBEPRSSR-OXQOHEQNSA-N 466.498 0.800 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1814035348 JWYREZBUSOGMQV-POAQFYNOSA-N 455.515 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817270700 MGPGFHLKBVKSTQ-DANTVBBOSA-N 481.600 0.339 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)nc4cccnn34)sc2C1 1821261785 HHFWFQPVYGSISN-OLZOCXBDSA-N 452.496 0.810 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN(CCO)CCO)CC3)c1 1821388971 QKRIUDGQMQVBNJ-INIZCTEOSA-N 473.555 0.536 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2ccc(O)nn2)n[nH]1 1821663862 XAMFMRAGAJCYHS-SOIVGHGOSA-N 455.475 0.835 30 20 JCED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1825105107 KCASWABESDFDOY-ZBFHGGJFSA-N 476.603 0.372 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1829260724 DSTZEOSLZYBRBP-GBXCKJPGSA-N 454.527 0.986 30 20 JCED N#CCCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332781 ZEZCZMGRPWKNFC-HSZRJFAPSA-N 452.467 0.830 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C3)C2)C1 1829669635 ASCJCOAIVULFLA-HSZRJFAPSA-N 469.498 0.715 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)CC2=O)c1 1831207458 LRVWVPJDNHYBOL-RXFWQSSRSA-N 481.549 0.918 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)[C@H](O)C1 1831207567 RRNGKLGENCKCND-DFIYOIEZSA-N 491.585 0.474 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831219101 RPYHENSUIBUEKP-WZONZLPQSA-N 465.547 0.132 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1831387863 RVRFDELEJCDAMH-UUOWRZLLSA-N 471.510 0.479 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1831438094 MIOUBQTZSMKHSM-YADARESESA-N 459.543 0.772 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)CCO2)C1 1832749913 NPMPWLOVCYSRCQ-IMWIBFENSA-N 489.594 0.591 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833235810 UKEHMTVZWGVWEU-GAJHUEQPSA-N 492.577 0.745 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cnnn4C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1833236693 PMRYCPYAYCZAOT-GAJHUEQPSA-N 490.561 0.451 30 20 JCED CC(C)(C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)c1ncc(Br)cn1 1834755940 NRQSRLIKFRYJCU-IBGZPJMESA-N 466.336 0.887 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cnc2c1 1835677089 IEYBSEFIOSTQJR-RUZDIDTESA-N 496.568 0.355 30 20 JCED CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750134 HMWMOPXDIJGBLH-UHFFFAOYSA-N 453.605 0.301 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1835772920 LAPJZXVSZKJHPT-PLNGDYQASA-N 486.573 0.143 30 20 JCED Cn1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)cn1 1836520813 SZTYIBJYIDPHOX-ZDUIWUOISA-N 458.540 0.920 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837152279 JIQQBQPBGYLDLH-HJPURHCSSA-N 458.515 0.801 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1837311577 HLOKLLIGRIPLJW-DHLKQENFSA-N 498.617 0.907 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837319454 UACZZDBUVZBJPJ-SUMWQHHRSA-N 453.414 0.349 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1837397331 PFWXIFRWBWXLCC-HYBUGGRVSA-N 494.610 0.662 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1837397574 QPFCTTFIKMBPGR-KSFYIVLOSA-N 459.503 0.078 30 20 JCED CN1Cc2ccccc2C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440727 VUXCZVQBXUAUNX-VJUOERLLSA-N 483.613 0.971 30 20 JCED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837527498 NRBQLGHYMDHTFD-WWCXEQRYSA-N 463.491 0.084 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1837531510 ONTYGHWFXMKYSR-UJHCQMTCSA-N 498.540 0.866 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1 1837531540 PGLRJMCSXMGTOG-ICILYHDOSA-N 478.550 0.632 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559842 AXMWWELVTZEKQE-LKRPIWMCSA-N 494.545 0.041 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)CN3CCOCC3)CC2)CC1 1837803622 KQSKUJNKCUQRJC-HHEUTOACSA-N 466.579 0.846 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])CCO2)C1 1838601868 XNOOECZGSJUNLE-XXBNENTESA-N 493.513 0.952 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)CCO2)C1 1839136201 MMPUYRUREKHEIH-HXOBKFHXSA-N 475.498 0.641 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1839175695 ZIQZUEAOWWGIJN-SFHVURJKSA-N 475.424 0.403 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839208126 XJWFREAKEZTFFL-GOSISDBHSA-N 459.337 0.880 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839209073 MSRFODKMUAOAFW-PMAPCBKXSA-N 485.578 0.310 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)CC1 1839363381 SJFMPLJFRWQLQB-DEOSSOPVSA-N 455.559 0.070 30 20 JCED Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401266 UYPZUMSRDWSOOP-HXUWFJFHSA-N 489.330 0.833 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Cn4cncn4)C3)C2)c1 1839452776 VXUFEQZTBOXGJF-WZONZLPQSA-N 452.515 0.865 30 20 JCED Cc1nnsc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488319 LAGHUMMTBKLEMH-OAQYLSRUSA-N 467.511 0.978 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CN5CCCCC5=O)C4)C3)c2c1 1839489509 ZREZSZAGCKQNFF-DEOSSOPVSA-N 480.525 0.517 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CN(CC)CC)CCO2 1839679278 XPJSMSNTUNQKPC-WMZHIEFXSA-N 453.580 0.930 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1839888649 ZAXFGWLWGNRNKP-SPLOXXLWSA-N 482.484 0.661 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840017538 RPRLZZMGEMCNSC-SHEWTDFYSA-N 495.580 0.825 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C(F)(F)F)cn3)C2)C1 1840041090 PRFSLCTUVWNVKB-HXUWFJFHSA-N 469.416 0.577 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1)c1ccc(O)cc1 1840222092 DBBKBAMPCOLOMK-LIXHSBQKSA-N 483.565 0.966 30 20 JCED CCOC(=O)N(CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)Cc1ccco1 1840340487 NHUKDKVNAJACJX-HSZRJFAPSA-N 474.514 0.998 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c(O)n1 1840446152 HNCGTWPTDJRYSS-HSZRJFAPSA-N 470.530 0.658 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c1 1840711969 PTCGJBDQFLPGLD-VWQFJMCTSA-N 454.527 0.910 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)c1ccccc1)CCO2 1840799325 SMLNSBNDSLZZMC-KWQGRVAKSA-N 484.553 0.121 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820906 PNSFATIIJVOMHV-YKSBVNFPSA-N 472.542 0.698 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)OCC=C)C2)C1 1840906864 KRNUOKZBUCJLQN-YDIMBITNSA-N 479.574 0.951 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1840909636 YHXPSBIANZDIKT-CPJSRVTESA-N 492.617 0.845 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 495319390 NQHUUWDPHLQSGR-UHFFFAOYSA-N 473.467 0.947 30 20 JCED CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 518132875 VKYUESAGRUITGZ-UHFFFAOYSA-N 494.526 0.572 30 20 JCED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 549957745 HKRSEKOPFISTLZ-UHFFFAOYSA-N 490.563 0.572 30 20 JCED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 603555633 WKSVTPUKJQRYSL-UHFFFAOYSA-N 451.368 0.846 30 20 JCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 604196034 BVWQPXJZYGVODT-IBGZPJMESA-N 491.595 0.384 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O 608911143 MPLVBOPSMFQRLO-UHFFFAOYSA-N 481.347 0.716 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cc(OC)c1OC 608911853 SWDCJTZOOPVIMC-UHFFFAOYSA-N 494.529 0.563 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCc2nccs2)C1=O 726402974 IHIBNDTZPKBAAL-RJHYDAJSSA-N 467.598 0.969 30 20 JCED COc1ccc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 750415055 RLYAMGAVHNZQOS-UHFFFAOYSA-N 479.536 0.848 30 20 JCED CCOC(=O)N1CCC[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 912876916 DNLGHEPSPQJMON-SFHVURJKSA-N 492.554 0.803 30 20 JCED CC(=O)N1CCN(C(=O)[C@@H](OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C(C)C)CC1 913243660 ZNBIDBYDZHHNAV-IBGZPJMESA-N 450.517 0.095 30 20 JCED CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 915016895 YFEMWBAQNVWMQC-GOSISDBHSA-N 490.582 0.971 30 20 JCED C#Cc1cccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c1 916703483 UTOIBFVCSFEJTQ-UHFFFAOYSA-N 468.535 0.889 30 20 JCED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 919227423 QRCOYWOANTXDAX-OAHLLOKOSA-N 483.543 0.890 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1115894674 IWKXJQMGXANETM-UHFFFAOYSA-N 465.528 0.834 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1 1140242169 JBBVNCCFMYCLJO-SJORKVTESA-N 450.517 0.733 30 20 JCED N#CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1191673106 UZEUPIDKLZCWKC-UHFFFAOYSA-N 450.542 0.743 30 20 JCED N#CCC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 1463100590 PYUYWAQOOALLFY-UHFFFAOYSA-N 454.530 0.347 30 20 JCED CCN(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1515719934 XITRRKUQUVWSAT-FUHWJXTLSA-N 452.629 0.795 30 20 JCED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1516182639 LQWFSYNLDCXRCQ-IEBWSBKVSA-N 457.528 0.312 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(OCC(N)=O)c2)CCOC1 1516226201 MEDOFYNENXZNDM-XMSQKQJNSA-N 456.503 0.571 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)C1 1690809827 OHYVGAQTUWXHOQ-VQTJNVASSA-N 493.634 1.000 30 20 JCED C[C@@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccco1 1692813754 LKUCZCZANGJSRW-OXQOHEQNSA-N 464.548 0.852 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OCC(N)=O)CC1 1705681105 NLASJXBAGTVJBG-LLVKDONJSA-N 465.374 0.268 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCNC(=O)C(C)C)CC2)c1C#N 1707807759 LKPHFWQIQPXDCN-UHFFFAOYSA-N 482.593 0.527 30 20 JCED CCN(CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1766684071 INJBKYTWJVPETI-SJORKVTESA-N 455.585 0.072 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778053530 NUTNAHLXMJZQMS-IQMFZBJNSA-N 464.482 0.053 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778114430 GDWZHHWMNTUQFK-OXQOHEQNSA-N 458.581 0.289 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778753077 STKAPTCGEIKHDN-SFGWALBWSA-N 471.620 0.763 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CSCSC3)C2)C1 1779141973 SRCVGVNWVNVCFI-WZVDUCDXSA-N 454.618 0.718 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1779323262 OJTVAVBOFIAEMA-KHCICDEESA-N 496.605 0.827 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1779402946 SBNMCNIMGWCELS-ISJRUSPKSA-N 468.547 0.568 30 20 JCED CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C/N=C/c3ccco3)C4)CC2)CC1 1780653089 YOVZGMDXTZKHJR-VJPTWTESSA-N 471.602 0.992 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@H]1CCCS1(=O)=O 1781655294 YLIHFHFHGOAHOJ-NPPVZQLHSA-N 471.576 0.607 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CN5CCSCC5)CCO4)C3)c2c1 1782195021 UGILRDAPQLRKLQ-QFIPXVFZSA-N 454.556 0.927 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782422179 AZFCKRYQAUWVDB-QFIPXVFZSA-N 472.571 0.851 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)cc2C1 1782561296 OJWQLDDSMIBQIN-ZRINGLHMSA-N 474.562 0.691 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1783199075 GOZZDWZBNIBTFB-BXTJHSDWSA-N 486.541 0.208 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N1CC[C@]3(CN(C(=O)CC#N)CCO3)C1)CCS2(=O)=O 1783474885 KFNLRKFMFIOIGS-IERDGZPVSA-N 496.586 0.154 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C[C@@H]21 1783529257 JEUUDFATSNUWHZ-SWLRZZBJSA-N 476.574 0.834 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1783894125 IBAOUZVMYNHMPA-MCFFVMPBSA-N 486.635 0.896 30 20 JCED COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784512236 KUJDFNFVNXEAOS-XATGBNEJSA-N 457.549 0.401 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1785577952 SEBONMWTVPGDEE-STSQHVNTSA-N 474.562 0.661 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCNC(=S)NC)C[C@@H]32)c(O)n1 1785773408 CXMYPVOPVUFKBH-SNRMKQJTSA-N 475.615 0.983 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(S(C)(=O)=O)cc3)[C@H]2C1 1786700287 XGXPQSCKNXITNU-GIUOSPMZSA-N 462.568 0.651 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788602212 OWQRPEGGBBUJGR-NIXLGWEQSA-N 481.594 0.323 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(=O)OCCO)[C@H]2C1 1789248919 LQDMLSVSUTXBTA-UPDDZZLWSA-N 485.537 0.287 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789839762 FWOUBMRGWGKPLL-GWKIZSTFSA-N 492.598 0.417 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1789958893 XMMBFIBTJHQANA-AAEZLKGMSA-N 456.540 0.610 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c(I)c3)C[C@@H]21 1791078213 OYOXZEJBUNXYFY-XEZPLFJOSA-N 498.273 0.678 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]4C3)c2c1 1791301745 JBWXMXSAGUPCIZ-QRTARXTBSA-N 457.512 0.846 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791332324 AQPNLVVHNQOPIX-JYHPFIIYSA-N 495.617 0.911 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNCP(=O)(O)O)C[C@@H]32)cc1C#N 1792057354 GRDSQTBQCDFUDJ-QRFRQXIXSA-N 494.485 0.664 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)C2 1793345381 NTTPKQDGUIWKIM-MTXNFPGFSA-N 495.576 0.709 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1793349783 JAGSQYZPBZDVCE-QTMHVTGLSA-N 465.547 0.250 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1793359110 NZYRIEXLMDENSP-QLCXLMDBSA-N 455.552 0.443 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 1793600241 GJYGBIBREGYZNZ-UWVPOSKDSA-N 467.563 0.543 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)n1 1797784035 GDBALVBYCJNSDQ-HATOLVCRSA-N 470.570 0.575 30 20 JCED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799238004 SFKRJDZYQPPKNP-FAQVEIGNSA-N 461.540 0.605 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884017 IVZYSOVGTCBYRD-BCEDRHLLSA-N 452.515 0.943 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12C[C@H]1CCN2C(=O)OC(C)(C)C 1800769674 MZDHTMIHMPUCRG-WWFZUCMJSA-N 488.585 0.834 30 20 JCED COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1800848515 HUZAQRQSRJTQKG-IUTQVRIDSA-N 475.542 0.458 30 20 JCED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)cc2Cl)C3)c(=O)nc1O 1801971119 FZBXXEUTBHRPKU-CCWDJLKJSA-N 471.901 0.686 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1810389903 HXZWZCCAHROHJS-KLIUIJDASA-N 475.469 0.239 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)c1 1811532565 IBXZZWAZZKKIJG-GHTZIAJQSA-N 470.555 0.331 30 20 JCED O=C(C/N=C/c1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1819475998 KUWNMBLBCCFSJZ-ZFJBLLOBSA-N 476.559 0.844 30 20 JCED CN[C@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC#N)C2)C1)C(=O)O 1828990335 NPYVCKMSOURJBT-DVECYGJZSA-N 485.541 0.805 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4c(=O)n(C)c5ccccc54)C3)C2)C1 1829669127 PQLMYDNOWXQROK-DEOSSOPVSA-N 454.527 0.763 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1831337351 VFANODTYNFDEBN-NRFANRHFSA-N 472.680 0.929 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831393896 RANPGEUEKOUMNJ-STSQHVNTSA-N 483.562 0.021 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(Cc3ccco3)C(=O)OCC)C2)C1 1831402472 IDHCSACBWLRIFS-NTKDMRAZSA-N 491.541 0.733 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1831425968 XXJRCLMTQOTEIJ-SZNDQCEHSA-N 461.544 0.935 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1831999650 ACKFINSSIQOJOR-HOIFWPIMSA-N 468.551 0.047 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2 1832022741 LGHVRELNORNWKC-XMMPIXPASA-N 489.645 0.809 30 20 JCED C[C@@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2)C1)C(F)(F)F 1832247009 RHYSXGPEBHCJGJ-OLZOCXBDSA-N 484.321 0.111 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3CC)CCO2)C1 1834419134 YXYJLNQKINPBNO-UUOWRZLLSA-N 489.573 0.890 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1835095763 CKMTXGAGMDNDCC-NIYFSFCBSA-N 492.532 0.501 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1835844381 GCNQANAKTHASPC-QFIPXVFZSA-N 476.618 0.408 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836205633 AZQJVQPWVMIVRQ-HTAPYJJXSA-N 478.550 0.204 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837294941 RQCUUISGXWKTQV-SOFSKSBKSA-N 484.509 0.036 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1837528194 AUTSZAHGGOOEOM-OBKNTDCBSA-N 450.467 0.820 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1)c1ccccc1 1837612829 NEHYPQGJDCFTDL-BKSPAHHJSA-N 470.570 0.233 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838568639 JLLHUFXJPZCIHO-NBGIEHNGSA-N 490.553 0.479 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838578328 HSYPAOHQCMQLCA-WRAFWBCBSA-N 468.510 0.495 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C(C)=O)[nH]n4)C3)C2)c1 1838580959 XFHSIVWMGJJRKZ-HSZRJFAPSA-N 467.482 0.876 30 20 JCED CCOc1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)cnc2c1cnn2C 1838736037 FWBDPPNNUWPGDN-XMMPIXPASA-N 493.524 0.951 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048552 GTVISIYDONVBIT-YFORNBPNSA-N 486.529 0.257 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1839130859 YGYYMSGEECGMHB-FBFJCBDHSA-N 493.601 0.911 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnnn4C)C3)C2)c(C#N)c1 1839131735 WEUAYWDFZVNGIR-JOCHJYFZSA-N 454.487 0.008 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1839176413 NFJKECZTMFHUGM-CNVLFFCLSA-N 497.548 0.862 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)cc(C(F)(F)F)c1 1839237494 MOPDDWFMHCEBMC-HXUWFJFHSA-N 478.431 0.939 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839432102 BDCOZSQAPDYMIT-SZNDQCEHSA-N 452.891 0.860 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488972 KJASERXNRSZISM-FDDCHVKYSA-N 466.498 0.125 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839633663 OAQHAJQHRBLSRJ-ZHRMCQFGSA-N 454.527 0.247 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839885732 OCEUBHNWWCNHGU-NTKDMRAZSA-N 496.605 0.829 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840158411 LLDQYHBLLXSKNY-GCKMJXCFSA-N 473.592 0.397 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)cc1 1840227622 WKMIUQFIVHKLIX-RDPSFJRHSA-N 454.527 0.473 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)N(C)C)C3)C2)c1 1840711854 KTBXVJNLTCGFCC-GAJHUEQPSA-N 457.531 0.655 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)ccc1[N+](=O)[O-] 1840758028 MHBSDFSXIIEYOX-QHCPKHFHSA-N 489.529 0.955 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)CC1 1840806816 YDJNQUKALISJBH-QHCPKHFHSA-N 479.578 0.299 30 20 JCED CC(C)(C)OC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841336641 WOQFACAVLZAIPM-HNNXBMFYSA-N 494.545 0.696 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COC)C1 1842690187 MUPDQWXSMYGUBY-OAHLLOKOSA-N 454.524 0.642 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C[C@@H]2OCC[C@@H]21 1846180885 HHPOBAQUEJTPCA-IKGGRYGDSA-N 461.515 0.692 30 20 JCED C[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1ccc(C#N)c(Cl)c1 16163448 QDKGGHNKTZDSSJ-LLVKDONJSA-N 458.862 0.919 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)C[C@@H](C)O1 477031454 XSDIHOITERJASD-FCEWJHQRSA-N 461.544 0.162 30 20 JCED C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1=O 497674470 UYIJFXITEIRKAY-FQEVSTJZSA-N 451.468 0.905 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(F)c2)c1=O 501767796 XSZUUZQUNWHUEZ-UHFFFAOYSA-N 459.499 0.364 30 20 JCED C[C@H]1CN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 726294463 SGRBSZMCKIJDFN-ACNSNUFOSA-N 451.549 0.275 30 20 JCED COCCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 730725123 QZIRJOCTSNVXBV-CLXZYQIKSA-N 492.583 0.989 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 749356775 XIZRPSBOEYZSON-PYCFMQQDSA-N 486.620 0.198 30 20 JCED COc1cc(C=NNC(=S)NCCN2CCOCC2)ccc1OCC(=O)N1CCOCC1 915926034 VTDAZTKTTQSCLF-UHFFFAOYSA-N 465.576 0.063 30 20 JCED N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916964142 AZGMGLFAMQLSMD-KRWDZBQOSA-N 484.490 0.539 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccco2)cc1 918253703 XZLFMYFXWTWBTQ-JJIBRWJFSA-N 461.500 0.577 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](c3nncn3C)C2)cc1 918438311 IWEUOSLBXVLRDC-UCXBAENPSA-N 473.559 0.973 30 20 JCED CS(=O)(=O)c1ccc(OCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1302428530 SYJAZCHBNLKZEG-DOTOQJQBSA-N 460.516 0.440 30 20 JCED N#Cc1cc(F)c(S(=O)(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)cc1Br 1309496566 JTQUSIXKPBQRKO-SNVBAGLBSA-N 455.331 0.796 30 20 JCED CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1315067167 PGALBVBMICALPF-MRXNPFEDSA-N 476.538 0.116 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1359150441 YMQBTTRAUGLXMG-GJZGRUSLSA-N 460.988 0.859 30 20 JCED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1505321240 LACOJRLNZVWMGT-LSDHHAIUSA-N 480.451 0.917 30 20 JCED Cc1nccnc1N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1542986694 WDLGUUPEUXTHAU-UHFFFAOYSA-N 467.559 0.791 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1555817997 MPGAAWBNZGJPRH-CQSZACIVSA-N 455.338 0.986 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1589404520 KDQLJOGIHAEQLF-LBPRGKRZSA-N 462.370 0.560 30 20 JCED CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1619503407 LNUPLYULWOACSS-GHTZIAJQSA-N 461.544 0.894 30 20 JCED CN1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1644996988 SSVYHXAEWNRHSV-FCHUYYIVSA-N 456.566 0.773 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690329200 UQPNGPCCRNDDJR-HNNXBMFYSA-N 460.004 0.385 30 20 JCED CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)S(C)(=O)=O 1710140794 KOHLOBMUBXWYCQ-HXUWFJFHSA-N 489.602 0.830 30 20 JCED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1730616081 ZGADEUWKEQPKIK-KRWDZBQOSA-N 450.521 0.130 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)F 1747730725 MADOHEBCSPOZAG-INIZCTEOSA-N 497.528 0.500 30 20 JCED CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1748268507 XBTBYPPJXZGYLG-AWEZNQCLSA-N 495.009 0.876 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(=O)N(C)C 1751232734 VEQVPTYECMWHSW-MRXNPFEDSA-N 474.591 0.565 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1768293633 LQSIAOAZCIJZBR-KRWDZBQOSA-N 466.589 0.769 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cnc2s1 1777991870 ZJDCUVFSXXYJIR-JOCHJYFZSA-N 472.571 0.790 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1778096142 VVIRZYUDLDSXOM-WBGRRKGISA-N 474.539 0.599 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779207173 JNUXKRCCZNNNOF-BMOUEYTDSA-N 457.531 0.564 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2C(=O)OCCO)C1 1780077641 KWBNSNIZLUJOQU-MSQNZERCSA-N 499.564 0.822 30 20 JCED COC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781169943 GDMFHPRFMHRTHP-HSZRJFAPSA-N 493.561 0.713 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1781392616 CNJWXEMVYDAYSB-ZOCZFRKYSA-N 456.540 0.503 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195576 GJPANGZYIPRLDD-UUOWRZLLSA-N 498.540 0.764 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCO2)C1 1783732482 ZNCJYXBZSPEENS-HOYKHHGWSA-N 488.541 0.135 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1785378847 UBESLACHFWWHTR-XMMPIXPASA-N 455.559 0.404 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccn3)[C@H]2C1 1785931481 RRXOWKSWQSIRPZ-DWRORGKVSA-N 457.531 0.987 30 20 JCED CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1 1787198381 WSCZRWJAJBCEFN-RCBQFDQVSA-N 453.421 0.701 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C)c3C(F)(F)F)[C@H]2C1 1787642670 ODDPTZJSRHIKMW-VMPYYGSESA-N 469.464 0.891 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789765286 DXOZYGIGDMITHA-ABVVJKBJSA-N 458.559 0.226 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792629427 ARFWUGCQMBLSNN-HMBPXDFOSA-N 484.619 0.788 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCN(c3cc(NC4CC4)ncn3)C1)C2 1793344584 DJABIPNYTYBPIR-VOSKCVMKSA-N 496.612 0.895 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](N)c1cccnc1 1795684492 JHGSKZLFVSTYPG-BFUACXKISA-N 485.585 0.978 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1797811173 JWXKUFPEMDGVBF-PNRPCRMYSA-N 483.525 0.898 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)OC(=O)NC(C)C 1799130387 WCBSUHXCXVMBPL-ALXJQNPVSA-N 453.536 0.999 30 20 JCED CN1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 1799237968 QXZWBYUPSISADV-REPLKXPHSA-N 475.590 0.678 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)c2n1 1800345361 POHXQKHLGCSNKQ-MIFYACCESA-N 496.528 0.020 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2)c1ccc(O)cc1 1801055837 NCFPLIMJISBAEJ-QSNWEANLSA-N 479.470 0.204 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801071298 BWHUDTRHUGONPD-PQTWZCJSSA-N 476.574 0.572 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1802129086 YZHVNMUQLZCNBT-AFDCHOCNSA-N 491.633 0.129 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1802480528 CQMQFLNKMPHHKA-DFYKHBKASA-N 459.503 0.010 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@@H](CNC(=O)CC#N)[C@H]3c3cccnc3)csc2n(C)c1=O 1806284408 REBUTCQTNHHBCH-MGPUTAFESA-N 480.550 0.856 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1810331447 ONOHXEBNTSEQJM-WFXMLNOXSA-N 467.526 0.384 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1810558891 HYFRRMOHGBIUMS-OWIRWBMUSA-N 457.531 0.097 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812877888 BWNSGPXEYMIXDF-ZWOKBUDYSA-N 474.514 0.715 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816784 UPXTWRWFFPPVLH-FZMZJTMJSA-N 456.467 0.643 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1820894175 GJZVFQKGGPQMJG-CQSZACIVSA-N 457.424 0.636 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1828810598 OGWJXYMLDPASAK-YADARESESA-N 467.526 0.878 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828965451 YGYLDRADKUEZSC-YADARESESA-N 458.559 0.970 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1829260015 CHIPAUAVJUZQFT-UUOWRZLLSA-N 454.527 0.986 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 1829334768 NFBNGZBFRDLLHI-XMMPIXPASA-N 494.508 0.208 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1829762430 KEIQCDHHDLWZAY-XBKFQHLESA-N 491.566 0.019 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1829766148 NONHTOPMNKVIHC-BBIZLLLXSA-N 496.362 0.111 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1830056890 ZREYSMYZVUSGQU-HSZRJFAPSA-N 479.497 0.191 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3[C@H]1O)CCO2 1830819122 MKUHXFXWIXGBKC-FMNIHWTGSA-N 456.539 0.777 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830886909 MFDOUSDHAVMGQK-WDUKFBBWSA-N 471.576 0.340 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)C2)C1 1831388480 YUOQGOPSIHOEKS-OPAMFIHVSA-N 463.462 0.771 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1831407433 ZKPMKHMMEGKQDV-LDBYXDLTSA-N 468.576 0.228 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831666353 XIEIMMRBSCPEDN-MONBJTKQSA-N 469.538 0.874 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1832462157 CGWPSPMPFUYFEJ-JOCHJYFZSA-N 490.619 0.058 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)c1 1833397480 JVAFBJWRBQTDRG-DEOSSOPVSA-N 498.561 0.669 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)c1ccccc1F 1835358501 DIXPCEWPWQVQFY-DHIUTWEWSA-N 460.506 0.937 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCc1ccccc1)CCO2 1835364748 FTYHKXZVNWRJQY-XXXZYALBSA-N 457.527 0.518 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c(Cl)c1 1835411289 AZFLCBXDOVYRFR-QFIPXVFZSA-N 460.918 0.904 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836130441 LVQWWEPYPJATTR-DEOSSOPVSA-N 482.493 0.416 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1837403475 UFDRIDYTFVKFHT-YCULYRLHSA-N 483.565 0.926 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1837443643 NDNISNNVUJMXFY-RZZUAFPKSA-N 473.530 0.395 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1837525036 RSKSAUOYYKKQLG-UJHCQMTCSA-N 498.540 0.866 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529054 OXZPINJCBLPAGI-ZUCSTNNZSA-N 459.565 0.131 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4csc(N)n4)C3)C2)c1 1838581642 FBMCKCAGEYSYOU-NRFANRHFSA-N 457.512 0.989 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C(C)(C)C 1839057838 SAVXQNQIJOVCMI-BXKMTCNYSA-N 495.573 0.860 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)ccc1F 1839185487 CWENIJQQYJVRJG-GAJHUEQPSA-N 458.490 0.222 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452534 GMPMKAQCERKZNC-UZUQRXQVSA-N 457.531 0.644 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652086 MVUVZJVLQDBLEM-JOCHJYFZSA-N 462.503 0.081 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C1)C2 1839739369 AIMBEFZYKUUSBE-CJAUYULYSA-N 499.568 0.772 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)CCO2)C1 1839801160 XVVFQGYJRBYUFD-CYFREDJKSA-N 492.594 0.517 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(CNC(=O)OC(C)(C)C)CCOCC3)C2)C1 1839806458 PNQZKVBLNINXOA-QHCPKHFHSA-N 465.547 0.398 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)C2)C1 1839809206 HZIBUBDLMXBKBF-IBGZPJMESA-N 455.920 0.415 30 20 JCED CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044414 WUMLYSFOBBFKKS-SBUREZEXSA-N 481.546 0.328 30 20 JCED C[C@@H]1[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCN1C(=O)OC(C)(C)C 1840045032 MWVPLIMZAUVTDT-SAHWJRBASA-N 479.530 0.176 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840290784 IGSXASCPNSJKHW-KSFYIVLOSA-N 451.520 0.945 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1840295532 URDPLGSWTRUFGL-OFNKIYASSA-N 459.547 0.107 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820717 GUCQQELYCGTUFR-NTKDMRAZSA-N 467.526 0.926 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ncn(C)n1)C2 1844215455 IEYYWFDVDJUCEZ-OAHLLOKOSA-N 491.549 0.438 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CC(N)=O 1847858417 RVJQEAVSURSBCJ-QAETUUGQSA-N 495.577 0.505 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2cccc(S(N)(=O)=O)c2)CC1 505101548 WXZVJTWNPHGRSM-UHFFFAOYSA-N 463.541 0.422 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(Cc3ccco3)CC2)CC1 514745479 UYQVXYGPGCZLTI-UHFFFAOYSA-N 457.556 0.802 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)CCC)CC2)cc1 518125173 UJGWUXSQCJEFRX-UHFFFAOYSA-N 486.616 0.752 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1cccc(NC(C)=O)c1 603496069 ZDXIFTBPQRKWCD-UHFFFAOYSA-N 463.519 0.518 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H](C)c1cccs1 726584615 UXORXVDRXMLNEW-AWEZNQCLSA-N 457.581 0.970 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3cc(OC)c(OC)cc3C)CC2)CC1 728570603 HBAIOHKZSPOFNA-UHFFFAOYSA-N 471.602 0.023 30 20 JCED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 733721121 YUUBJXOVRUDWEU-IAGOWNOFSA-N 461.588 0.374 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 853671328 NMPANHFUCIDMOT-HUUCEWRRSA-N 465.528 0.849 30 20 JCED COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 853708974 UTSCZVVRLKUJSV-CQSZACIVSA-N 465.528 0.849 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 893329944 ZSKIBZCJXJLZEA-LBPRGKRZSA-N 459.908 0.918 30 20 JCED C#Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)c1 916703732 CSEIJDZHJZQVJX-UHFFFAOYSA-N 468.535 0.889 30 20 JCED COC(=O)C1CCN(S(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 919669794 ZKZSLVICXQCNBR-UHFFFAOYSA-N 498.583 0.205 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 1307350981 KVXQOXCWDAZXIY-UHFFFAOYSA-N 459.528 0.737 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1320015166 TXEWADXHZMHLCP-UHFFFAOYSA-N 466.516 0.348 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 1359085043 ZNHYYWHIDYFQNK-QWHCGFSZSA-N 477.385 0.221 30 20 JCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N3CCc4ccccc43)CC2)CC1 1459348939 QSWQHGBSZIXGIM-QHCPKHFHSA-N 452.603 0.886 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1517074715 OYGJLLYZAJDVEU-UHFFFAOYSA-N 470.530 0.565 30 20 JCED CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1517632513 OVHSYFFHTQTWFL-UHFFFAOYSA-N 467.559 0.406 30 20 JCED COCCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1619762901 JAKDLXQDMRBSDY-HZPDHXFCSA-N 456.569 0.402 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1625790898 VCLHOXWCESEZKA-UAGQMJEPSA-N 455.558 0.420 30 20 JCED CN(C)C(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1710983138 SPNDDRKRHMQVSH-KRWDZBQOSA-N 489.577 0.996 30 20 JCED CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1711395386 ZTONSPDHFQKGHR-QGZVFWFLSA-N 488.618 0.608 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1712704812 UCKMDJPOBBVFOK-QGZVFWFLSA-N 494.599 0.388 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1 1771359422 XKQRNVBPFJVTKK-MRXNPFEDSA-N 457.560 0.800 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1777962820 NJFLUHQCTVRZLG-OTALEHGMSA-N 495.621 0.858 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc([C@@H](C)C#N)c2)CCO3)CC1 1778358427 IZPLGITXWSFVJZ-UQBPGWFLSA-N 467.570 0.921 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1779628522 SVFMGKGUADKDLJ-KSEXMQBYSA-N 450.499 0.774 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1781166006 JHKBGYJUIVPESR-YTZAWJCFSA-N 476.574 0.649 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)Cn3ccncc3=O)C4)c2c1 1781207068 TWYZVZOZTKNYTJ-NTKDMRAZSA-N 475.509 0.819 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)c1 1781961673 LNHOBEZVNPNWOO-OAQYLSRUSA-N 473.486 0.606 30 20 JCED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782026535 WWVWLIUEPUZUHF-IBGZPJMESA-N 469.903 0.243 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1782764659 HGKLUDVNUARRNP-JLHGSKIFSA-N 460.535 0.586 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783327631 IRPOLRKOLQPWFC-ZDPRRSKRSA-N 481.521 0.936 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783604051 YWLGTUFPQUOBGF-IVZQSRNASA-N 464.519 0.576 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=S)NCC)C[C@@H]21 1784785175 HPDRXUSMOGJNFR-XSLAGTTESA-N 497.662 0.920 30 20 JCED CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1)C(=O)O 1785196000 KTGFMOVUWXELGM-WZONZLPQSA-N 458.515 0.852 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1789927861 DGWKUGCFMGWDPG-QAETUUGQSA-N 452.552 0.792 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)O)C[C@@H]21 1791258172 BLPSLMGMPVGWSE-ATIWLJMLSA-N 498.577 0.152 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)C[C@@H]32)c1 1791985338 NRFMOGWKASVKRY-QZHFEQFPSA-N 453.499 0.459 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1792146349 MZOSSLGCMSQORC-BJLQDIEVSA-N 456.499 0.759 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3OC)C[C@@H]21 1792261790 RAXRZSHXDOJIKN-XSLAGTTESA-N 487.557 0.995 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795852000 ARSLPLGJRZNKDB-DMUMMCEESA-N 474.562 0.565 30 20 JCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCOCCOC)C2 1801168349 ZHWHNHSJPHLWHB-JHDGKUDLSA-N 454.564 0.466 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccccc1 1801952852 HLHBBTJGLOFBQC-HATOLVCRSA-N 457.527 0.906 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1802125858 YJORURFOQVGJAK-UKBAYJJMSA-N 482.541 0.849 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)ccc1F 1804355753 VJKNIRSWGAAUMS-GTCCEBARSA-N 478.484 0.939 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1808295276 DZZFRQDYNNYDPI-MAUKXSAKSA-N 453.503 0.884 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1812873201 KVNFYEYUPGFECT-WCAVRKLYSA-N 498.561 0.851 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)nc3sccn23)[C@H]1c1cccnc1 1812877148 DBFJHKZTFJURFB-LIRRHRJNSA-N 451.464 0.559 30 20 JCED N#Cc1cccc(CCC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)c1 1816668758 QBWFPSBJWWQDIM-AWEZNQCLSA-N 489.521 0.999 30 20 JCED COC(=O)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828834309 FAWAHCHWTRYBRR-DEOSSOPVSA-N 485.493 0.480 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CC[C@@H](N)C(N)=O)C3)C2)CC1 1828921128 OZAJAJZFDCLFIK-CLOONOSVSA-N 496.568 0.335 30 20 JCED C[C@@H](CN)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828954097 KUVDVXIHMVFCTP-SBUREZEXSA-N 456.499 0.121 30 20 JCED CCN(C)[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829241465 HQPLUXYUKIWNPB-UQBPGWFLSA-N 484.553 0.867 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1829771075 DENLQFFALZUGLF-LJBSOROUSA-N 474.470 0.229 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1ccnc1 1830986857 GWSNYOYBQWALGI-MBSDFSHPSA-N 453.499 0.851 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1831401417 BIAKDRJZNWTYHL-KOSHJBKYSA-N 458.511 0.510 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831407194 RJVJFYMTVVHBRE-NTKDMRAZSA-N 499.605 0.965 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2)c1ccc(O)cc1 1831615719 JTPDXRCFCKKJMO-JVFUWBCBSA-N 471.554 0.857 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832818384 VOLJPMWEJFUGCK-HSZRJFAPSA-N 453.499 0.749 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833396423 IATXQXYWZSUPQA-IIBYNOLFSA-N 467.544 0.146 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1833475933 NIICSCAVUJRBBF-OAHLLOKOSA-N 457.535 0.194 30 20 JCED COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1F 1833484544 OMUZYDYVWPIXCG-WUKOTQDVSA-N 463.510 0.771 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833614054 FROIYSLFHVGGBR-KRWDZBQOSA-N 461.563 0.674 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)c(O)n1 1833698437 HQEPJKZWIGKROO-VWLOTQADSA-N 482.537 0.838 30 20 JCED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)CN4CC(=O)NC4=O)CC3)CC2)ccc1F 1833712037 YQPGDHJOVQKEQR-UHFFFAOYSA-N 484.532 0.363 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833714313 SWFICYGLBZDRMU-SFHVURJKSA-N 485.651 0.089 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834441001 LKZDWOHMYQFRBL-GAJHUEQPSA-N 477.562 0.960 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c(Cl)c1 1834735151 LDIMWWCUBMUMHL-HXUWFJFHSA-N 474.993 0.990 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1835682416 HDZPYNUZDVIGHE-QHCPKHFHSA-N 462.522 0.943 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835690633 SZNPEHGWNPHGNT-POSBYCEFSA-N 475.546 0.867 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CNCP(=O)(O)O)CC3)CC2)c1 1836258545 WRDRTJKVDSUNMW-UHFFFAOYSA-N 463.475 0.468 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836763938 DVYAMIXBVXDGJR-XMMPIXPASA-N 462.591 0.375 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cnccc4[nH]3)CCO2)C1 1837102841 NQUWORBRTBKQRW-QHCPKHFHSA-N 454.531 0.915 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1837208784 NJQUUYLQKASNJY-UGKGYDQZSA-N 483.638 0.558 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837306326 AYRSITXNOFFPAL-UHFFFAOYSA-N 477.539 0.326 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529702 BXFSUZYQNNWLJU-MMCQHXDLSA-N 498.577 0.885 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1837529849 DZZDRCCQZVVLOP-BHJOUFRFSA-N 477.518 0.100 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1837531730 VAHDOPQAEPEKAZ-XXZIPLLVSA-N 471.461 0.877 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO3)c(O)n1 1837694485 DBPLRLJFMMXDCW-OSPHWJPCSA-N 472.542 0.667 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837836286 SGYCNONECKEHON-UHFFFAOYSA-N 494.485 0.660 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c(C#N)c1 1839132653 MZDOXEZTTXQLBK-OAQYLSRUSA-N 498.458 0.244 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1839173976 YPMZGSSFHVCEAZ-HSZRJFAPSA-N 456.499 0.914 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839227758 XORIOCUOMYCBLJ-PVFZMYLSSA-N 454.524 0.773 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839227832 ZSZFSQPIKYMTDA-CXAGYDPISA-N 453.414 0.349 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839453996 NPACIQBUILARFA-RCZVLFRGSA-N 494.552 0.407 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c(I)c1)CCO2 1839471944 UGZXNAHVAMYHDS-GOSISDBHSA-N 470.263 0.700 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)nc4ccc(F)cn34)CCO2)C1 1839526048 XNBPTHDBMFBZJG-GAJHUEQPSA-N 458.490 0.890 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839569421 FLZHTQUNLDQPLA-QHCPKHFHSA-N 454.531 0.686 30 20 JCED O=Cc1ccccc1-c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839711892 HTLLLTNWOWDKNG-VWLOTQADSA-N 477.473 0.719 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1839810904 XTGPFGCIAHOBPW-RTCJPFEHSA-N 477.558 0.491 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no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c1ccc(S(=O)(=O)N2CCN(CN3C(=O)C(=O)N(Cc4ccccc4)C3=O)CC2)cc1 16877365 RLOKQMBGOMFWCS-UHFFFAOYSA-N 467.507 0.813 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(CCC#N)CCN3CCOCC3)c2)CC1 490646702 AULKMAYKVPMDTJ-UHFFFAOYSA-N 477.587 0.227 30 20 JCED Cn1c(=O)c2cc(C(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n(C)c2n(C)c1=O 518415242 FGFAQTJHGFGCKP-UHFFFAOYSA-N 463.454 0.658 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 522284206 SUGQABGYWMGAMN-UHFFFAOYSA-N 453.467 0.805 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 556556961 FNEOPBOZNSAHFU-IAGOWNOFSA-N 455.558 0.687 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(=O)N(C)C 604269137 WVFRJHCKPCOMLV-UHFFFAOYSA-N 450.923 0.818 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1CC(N)=O 608910711 FNVBHNBDOQLSLN-ZDUSSCGKSA-N 485.562 0.682 30 20 JCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)CNC(=O)c3ccc(C#N)cc3)C2=O)cc1 727011771 AVCXGLWDNAHEFK-QHCPKHFHSA-N 479.449 0.338 30 20 JCED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 728140917 ZSMMZUPDOASFHF-UHFFFAOYSA-N 459.475 0.829 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 728533262 ZMEYCDVWFJWWIB-UHFFFAOYSA-N 474.505 0.658 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CCC)CC1 728535649 BZDXASVYXTYNKL-UHFFFAOYSA-N 452.515 0.292 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 729672793 IQDKOOZTBLIDBB-UHFFFAOYSA-N 487.603 0.451 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 918439421 KLELIHBLHLUSLP-HKOYGPOVSA-N 493.567 0.402 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1301017324 IGXLPIBBTCXOPT-KBPBESRZSA-N 460.004 0.430 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)NC2CC2)C1 1303940066 RRRBLDFEFDXRJX-UTKZUKDTSA-N 479.607 0.800 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1314675177 MFGNQLYXJPIYTJ-UHFFFAOYSA-N 470.559 0.823 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)=O)CC2)CC1=O 1316119085 UWGPKXATWRWNDU-IBGZPJMESA-N 451.531 0.980 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359143430 ZXDLIPPNCHCDID-GFCCVEGCSA-N 455.006 0.549 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCn1cc(Br)ccc1=O 1450363601 OATPSSFEOJONRX-GFCCVEGCSA-N 453.318 0.966 30 20 JCED Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1554350095 NWQIUXUXQBIUIR-HNNXBMFYSA-N 451.578 0.391 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1612978788 ZAOVVMBQZMSTQG-MRUHUIDDSA-N 461.544 0.892 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1613028555 MISVMVWOYRHVGS-VPWXQRGCSA-N 468.580 0.281 30 20 JCED CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1711222459 WDHYIFRVVRWAGX-UHFFFAOYSA-N 489.602 0.533 30 20 JCED CNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729608713 JCEOUFYGXAZZTF-UHFFFAOYSA-N 453.551 0.782 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCNC(=O)C(C)C)CC2)c1C#N 1751827846 NNMAZONRFZGBBZ-KRWDZBQOSA-N 468.566 0.242 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1769152839 SRKRDCWLJOICCP-UHFFFAOYSA-N 470.530 0.565 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1778784794 QQVMGWMFWJIRFT-KXBFYZLASA-N 485.419 0.480 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019460 QLLUWZGCDHJKKU-MSISTTHUSA-N 481.594 0.564 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1779334854 BTIVSEVJMNPLNG-YGPDAJCISA-N 466.604 0.876 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779365865 SOCODMJOKKWESP-UWJONJOKSA-N 451.568 0.123 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSCC(=O)OC)C2 1780734995 BNVKFYJLRLORNP-IIBYNOLFSA-N 456.561 0.916 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)ccc1F 1781297268 QRBMSTLTISIMNG-HSZRJFAPSA-N 466.473 0.323 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1781311456 WUEUSJOOSDQUGN-NTKDMRAZSA-N 472.542 0.953 30 20 JCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1782174698 ADRQGXXLXZUXDM-FZRIWPFWSA-N 450.561 0.825 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C[C@@H]21 1783529585 RIFJQMFPJOPVAJ-MICHWDEPSA-N 461.559 0.804 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783834543 KLUPVGYKTHMKGX-JPYJTQIMSA-N 497.614 0.558 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc(C)c(O)nc1=O)CCO2)c1ccc(O)cc1 1784016038 KQNMUIBKGSVVCP-FNZWTVRRSA-N 494.548 0.990 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784093381 KSVPTCLDACRFJX-SBUREZEXSA-N 473.530 0.779 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1784478679 FNUIXUIAVJIBOB-JKBKZWBZSA-N 483.569 0.040 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1)c1ccc(O)cc1 1785153389 DLGIAHHWBTZWOC-UGKANONSSA-N 482.537 0.467 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1785574968 WFSTVMQQDSCMIN-MWTRTKDXSA-N 474.514 0.853 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789883737 DLPLOCJDLZXPEL-ATIWLJMLSA-N 450.536 0.017 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21)c1ccc(O)cc1 1791332200 SUNWLAPBWZKGFD-SYCIDELESA-N 485.581 0.520 30 20 JCED CS(=O)(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1791773688 QGELSNJCVQDMMM-IEZWGBDMSA-N 451.520 0.654 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792424335 QCRPLKXFXZKUGW-ADYITMSISA-N 471.510 0.575 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC)c1ccc(O)cc1 1793318337 OSEIMOHAFCKUFX-XJJKVWHCSA-N 491.610 0.807 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1793599934 LFJNYXLGDAKUST-DFGXFYAUSA-N 473.592 0.480 30 20 JCED COC(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)s1 1795599395 ANYGINPQKQOSGY-CCWDJLKJSA-N 462.572 0.949 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=N/O[C@@H]2CCCCO2)C3)CC1 1797705525 QXWNVEOTVIJBDW-RUZIRRQMSA-N 470.592 0.825 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1797812597 WJRLNVWOQPNFOG-YHEKRSGSSA-N 451.398 0.211 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798691569 WCPKCUASBSNQGF-DFGXFYAUSA-N 461.519 0.365 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1799233044 FUUAWCLKHRYKJC-IHEQNBGGSA-N 476.574 0.551 30 20 JCED CC(C)(C)OC(=O)N1CCc2onc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)c2C1 1800777313 PNAMHWAJXXHSOU-HBCWATKFSA-N 488.497 0.259 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2)C(C)(C)S 1800907671 GJACJOKBBGXWFQ-XJFOESAGSA-N 468.580 0.610 30 20 JCED O=C(CNC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1801033288 UOILYZRYTWBVHV-GVBSGIKUSA-N 459.446 0.755 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C)c1C)C2 1802124842 JDPOWJXPHJPZTF-UKBAYJJMSA-N 459.547 0.848 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2(N3CCN(C)CC3)CC2)[C@H]1c1cccnc1 1807936124 CPUGRJRWNWNMFQ-CEMLEFRQSA-N 453.587 0.906 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810328563 KCAWSTOWWRUXIE-FUPPJEDESA-N 470.570 0.937 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c1 1811712578 OSLTUGOCTNMBHN-IERDGZPVSA-N 464.457 0.964 30 20 JCED N#CCCC(=O)N1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812443370 LBMWZHQRLHVGRC-LXGFNABISA-N 484.582 0.571 30 20 JCED NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1814806868 RLWSBPHFMUWEGW-YKORKFJOSA-N 452.537 0.177 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)CC2 1819707616 YXXSDZAAIOITTL-JMSVASOKSA-N 458.606 0.956 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1829263050 GLDPMWBDRBEUJD-HSZRJFAPSA-N 465.466 0.587 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CN5CCSCC5)CCO4)C3)c2c1 1829715189 SGCWAFWXOSILRP-HSZRJFAPSA-N 484.582 0.553 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)C2)C1 1829764753 UPZSRAGFUFOUIF-IYZQMXKPSA-N 490.488 0.591 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)cc1 1829903434 SUCZIBAYLSTNHT-VWLOTQADSA-N 492.536 0.201 30 20 JCED CCn1c(-n2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)cc2C)cccc1=O 1830056047 KRSJZLFSPDMLRG-RUZDIDTESA-N 496.568 0.982 30 20 JCED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460413 JWTWGUBSXGRHHJ-XMMPIXPASA-N 456.543 0.719 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830886628 JYMBACYIQAAUHB-CYFREDJKSA-N 477.558 0.825 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831328877 IBKRATHOKCZPMI-BTYIYWSLSA-N 498.989 0.609 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)/C=C/C(=O)NCc3ccccc3)CC2)CC1 1833296461 HBSDGTZTXODIQB-VOTSOKGWSA-N 466.538 0.519 30 20 JCED C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833521640 RYHOCZMTVQIJBM-SDHSVNELSA-N 451.568 0.599 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncn(C)n4)CCO3)C2)c(O)n1 1833878177 LPIPDJZGEAAUTJ-JOCHJYFZSA-N 456.503 0.418 30 20 JCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1 1835046795 KUMDMMDCNHWKPG-YOEHRIQHSA-N 458.625 0.762 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)c1cnc(O)nc1O 1835070427 PAWZBSCZVFRFNN-UHFFFAOYSA-N 471.558 0.772 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835110169 MYPQCBKYDSDCSU-RKVPGOIHSA-N 463.604 0.399 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nc2ccccn12 1835677307 MHVDAIYHJCTPLA-XMMPIXPASA-N 468.558 0.995 30 20 JCED C[C@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835810726 WQFMAOSAPBWVPI-KWXFCVSUSA-N 458.611 0.958 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)c1 1835926287 KUHPPLPOOPRRHK-UPCLLVRISA-N 491.508 0.428 30 20 JCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1)N1CCN(C)CC1 1836375314 DMAVMSVDCGJLAF-GOSISDBHSA-N 455.607 0.707 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836449578 BQGYYLRSNQCBKV-VDTGVWRYSA-N 472.502 0.557 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)n1 1838737867 BVTISWKNWWJAML-QHCPKHFHSA-N 468.514 0.257 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1839174276 QJVFZYUORXRZID-JOCHJYFZSA-N 495.554 0.065 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187404 AFXRUFIOEDJTBN-WMZHIEFXSA-N 458.490 0.317 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)c(Br)cc1F)CCO2 1839306068 BHPXWYBQTXLYSV-IBGZPJMESA-N 487.253 0.885 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839560608 AKUUFBNPJHCGEQ-HLJFKENESA-N 471.514 0.933 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3noc4c3C[C@@H](NC(=O)OC(C)(C)C)CC4)C2)C1 1839808417 ZSXYQIITIANDCB-UPCLLVRISA-N 488.541 0.760 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCCCNC(C)=O)NC(=O)c3ccccc3)C2)C1 1839810341 RUEXKKHGPUKJEE-ATIYNZHBSA-N 498.580 0.181 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840176102 VVMFLCYRTUHBIG-OPAMFIHVSA-N 469.535 0.475 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840289849 PEXPBBJIRXPONS-BTYIYWSLSA-N 450.492 0.283 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840289852 PEXPBBJIRXPONS-YCRPNKLZSA-N 450.492 0.283 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NCc3ccc(OC)cc3)C2)C1 1840844344 QBYPATPUVPNYQC-VWLOTQADSA-N 471.554 0.961 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1840909306 QFHDASZPHXKGQW-NYHFZMIOSA-N 478.502 0.367 30 20 JCED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)CN(CCO)CCO)C2)ccc1Br 1846034402 NJNLWTHTVVONTI-UHFFFAOYSA-N 465.348 0.424 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1847102865 YWKREEWJCNQNGB-GOSISDBHSA-N 484.557 0.866 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCc3nc(N)nc(N(C)C)n3)nnc12 12463950 POIFWVMIFLDMJF-UHFFFAOYSA-N 467.515 0.899 30 20 JCED CCn1c(Cn2cc(C(=O)OC)cc(C#N)c2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 31806043 MAVCDBZNENLTHX-UHFFFAOYSA-N 485.522 0.945 30 20 JCED C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 108486936 PAMCBHPCQOTWLI-INIZCTEOSA-N 462.553 0.758 30 20 JCED Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 523252326 HMGFFRRCSSCBAQ-UHFFFAOYSA-N 481.559 0.125 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(C)o3)c2=O)cn1 524232869 PQVRXEQWBIMQIT-UHFFFAOYSA-N 452.492 0.566 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)cc2c1OCO2 590964700 YSSYIMBEJPOLSC-UHFFFAOYSA-N 491.525 0.998 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Br)s3)c(=O)n2C)CC1 590983813 HPRBELDVOFCJHO-UHFFFAOYSA-N 467.414 0.938 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)cc1 604270233 VHYMNAZYSOAWRJ-UHFFFAOYSA-N 454.552 0.568 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2cccc(C(N)=O)c2)c1 726729717 AFQNRRSHECMYJX-LGUFXXKBSA-N 471.539 0.896 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC1 728532305 TZSOFWNDKDLRCB-UHFFFAOYSA-N 456.362 0.258 30 20 JCED N#Cc1ccc(CNC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Br)cc2)cc1 728720401 LBSMOZLKHHUHIF-KRWDZBQOSA-N 496.339 0.820 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)ccc1F 729670933 BVHGCBNIQXUGRY-UHFFFAOYSA-N 477.583 0.964 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCN(C(=O)OCC)CC2)cc1 811833577 JDXQEWJCHFRLKQ-UHFFFAOYSA-N 451.501 0.492 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)NC3CCN(C(C)=O)CC3)nnc12 897625981 RNMHXVIZFJGGIL-UHFFFAOYSA-N 498.565 0.993 30 20 JCED CC(C)C(=O)N1CCC(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 899882067 FJYKNIMECXATMU-UHFFFAOYSA-N 490.582 0.829 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)c1 919800820 TXIGDBBJGFZVIS-XHPQRKPJSA-N 497.533 0.850 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(OCC(N)=O)c2)n1 1290648364 TXDAHIVJVRLKIS-LJQANCHMSA-N 450.503 0.781 30 20 JCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1297335545 ORNYDTJZPPUWCK-FQEVSTJZSA-N 454.508 0.956 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(N2CCOCC2)CC1 1298744138 VNXRPAVLXMCKSD-UHFFFAOYSA-N 459.576 0.667 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOC(C)(C)C1 1301044914 NSVHWPZOXHCACO-INIZCTEOSA-N 477.031 0.911 30 20 JCED COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1464580722 UXSZAQJYPYBCKZ-UHFFFAOYSA-N 458.496 0.956 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1 1509952925 JZTDTJYBXYAQTM-DOTOQJQBSA-N 450.569 0.716 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 1517932372 YYSHLFMJGBGGGY-INIZCTEOSA-N 456.528 0.720 30 20 JCED Cc1cccc(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)n1 1707609274 KYAHRGHVPXRBRY-RBUKOAKNSA-N 475.575 0.676 30 20 JCED CC[C@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1727110730 PFJPNOZGWHODNX-UQBPGWFLSA-N 497.600 0.917 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCOCC1 1741877337 KSPVMLPTDWZYEJ-SQNIBIBYSA-N 469.612 0.318 30 20 JCED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C2)C1 1778807199 OTOVAUHBUAVXAM-GAJHUEQPSA-N 480.610 0.939 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2 1779335642 OWPNRKAIAGBMTL-NJNPRVFISA-N 471.620 0.499 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1780179063 KWGYOIPFBOLUDL-XMSQKQJNSA-N 451.487 0.268 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)c5n[nH]c6ccc(C#N)cc56)CCO4)C3)CC2)CC1 1781110365 QDAMZGKZHGMESR-DEOSSOPVSA-N 477.569 0.658 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)CN2CCSCC2)CCO3)c(C#N)c1 1781171079 IVMTUYIMDQDSKT-HSZRJFAPSA-N 458.584 0.988 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1782668527 XXKJKAMOMVSSBN-TZXSAOORSA-N 473.530 0.559 30 20 JCED CC(C)[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1783762138 DNMFFYMAMCSJOB-ZHRRBRCNSA-N 451.520 0.844 30 20 JCED Cc1cn(CC(=O)N2CC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)c(=O)nc1O 1785352431 WWPWPDQNTLRYPY-XMMPIXPASA-N 465.510 0.592 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cncnc3)[C@H]2C1 1785397941 TUEWBACBMMTSPC-MUGJNUQGSA-N 471.558 0.915 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1785596040 CACUGKKQRCSXIH-URZJWIJPSA-N 450.536 0.422 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1788090780 AKRSGEQKZFKSDE-XLAORIBOSA-N 479.530 0.080 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1788658053 DLCIKLLRPHMSHD-AQZSRHCGSA-N 450.452 0.440 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676611 PRHKJZSROYPWAJ-RODYCCICSA-N 478.546 0.564 30 20 JCED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)[C@H]2C1 1791164931 PSYNVVAXNWJYIH-WBAXXEDZSA-N 468.963 0.902 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)[C@H]2C1 1791434242 UUKHEQFPRKUNBQ-FKSLSLAPSA-N 477.558 0.931 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792425536 FXKRFDUWJJMBHJ-KOUHRCEDSA-N 472.542 0.924 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1792794142 QOJJKIDTCOMZOO-MPKABRHRSA-N 481.615 0.651 30 20 JCED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCOCCOCCOCCOC)C2 1793570514 NPWXDUHEBLQCON-MXEMCNAFSA-N 454.564 0.749 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC 1797590817 MZQIHPFGUARKBM-FZQIVQGWSA-N 496.561 0.110 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742113 FDXGVCYOUUCGAZ-QVXMBZQBSA-N 493.605 0.684 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C3)c1 1798578465 RDNSJCKWGLCHCB-YHELAOLJSA-N 473.482 0.265 30 20 JCED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2)C(=O)C(=O)O 1800261218 IAPXHMKQYRMZFJ-XOIINTDNSA-N 493.314 0.067 30 20 JCED COc1cccc(-c2ccc3c(C(=O)N4C[C@@H]5COC[C@H](C4)[C@@H]5NC(=O)C#CC(=O)O)ncn3n2)c1 1800775790 HBFDMXNRABGPDI-GPVSGQMNSA-N 489.488 0.696 30 20 JCED CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1)C(=O)O 1807203993 KJUPAYVPUMHYSR-NNMXDRDESA-N 456.543 0.849 30 20 JCED C#CCCC(=O)N1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812443297 HETOVFDVBKEBLV-PSHVLCQKSA-N 483.594 0.681 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812878624 KGWJFYFCMHDEHZ-WFXMLNOXSA-N 486.525 0.811 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1814041552 VRNFZPUYFPDXJK-GHTZIAJQSA-N 483.525 0.868 30 20 JCED Cc1cn(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=N/N4CCCCC4)sc3C2)c(=O)nc1O 1819782155 GALAFCUXEQZUDN-KHAGQWAKSA-N 473.559 0.798 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCN2C(=O)OCc1ccccc1 1829134035 WFMOEEPXQFVZPK-BWKNWUBXSA-N 499.520 0.567 30 20 JCED Cn1cc(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cn1 1829395862 KGNVZYRGKSAAMC-RUZDIDTESA-N 493.520 0.503 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)CCC1 1829453594 UZUUKISLHYOXBP-DEOSSOPVSA-N 482.541 0.801 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1829691861 OJPHAJKHOBHJIS-FHAGJXEFSA-N 493.601 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4[C@@H]3O)C2)C1 1829762744 QNUOXEDABKRFPU-GVHGXCOUSA-N 483.565 0.597 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(CC)c3Cl)C2)C1 1829765297 SMCRPNHCRUJEIA-RMUOZIPVSA-N 465.938 0.554 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cc(C)n(C)n4)CCO3)C2)c1 1830953913 OKDNZFWBZHCRCQ-XMMPIXPASA-N 467.526 0.922 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1831218616 YBMIKEMKBSFYAH-QHCPKHFHSA-N 467.482 0.162 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)cc1 1832728063 AICWZACEVQAXRV-XMMPIXPASA-N 463.494 0.453 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4c(=O)oc5ccccc54)CCO3)C2)CC1 1832760017 MABLDLBNZGRQBK-HSZRJFAPSA-N 454.483 0.745 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cncnc1)CCO2)c1cccs1 1833119915 RTEJUYMTAYPENP-SIAOZKNOSA-N 456.524 0.976 30 20 JCED NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1833309526 IRFBLEOSHSIZAL-AWUSRGSFSA-N 484.534 0.751 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1833468235 OMIOTGOURONRDJ-QGZVFWFLSA-N 459.547 0.323 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)c1 1833498369 ZXTGCAPVWYJPFY-HSZRJFAPSA-N 465.466 0.739 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncn(C)n4)C3)C2)c(O)n1 1833696349 DZIACNBULOBDHV-JOCHJYFZSA-N 456.503 0.418 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn(C)c4=O)C3)C2)c(O)n1 1833697126 WJNNTFWVBGPZRY-RUZDIDTESA-N 482.537 0.988 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccn(C)n4)C3)C2)c(O)n1 1833698294 CSLQBLHWPHHPIZ-DEOSSOPVSA-N 469.542 0.952 30 20 JCED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835117128 XALNECZNCKHMFY-FQEVSTJZSA-N 474.693 0.938 30 20 JCED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338263 CFIYPDAYHRIJLV-KSFYIVLOSA-N 450.536 0.907 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750614 FMXJEMGIQTVXNF-IBGZPJMESA-N 496.674 0.584 30 20 JCED CN1N=C(C(=O)N2CCC(N3CCC(NC(=O)C#CC4(O)CCCCC4)CC3)CC2)CCC1=O 1835750881 YUOVYAZFUNCTGC-UHFFFAOYSA-N 471.602 0.865 30 20 JCED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1)C(=O)O 1835760984 IJYNUASYNYZYIO-XMSQKQJNSA-N 467.639 0.557 30 20 JCED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1)C(=O)O 1835766644 SJZCXSHNYFMSLS-XKDCRVNJSA-N 458.515 0.446 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835778873 WTSGBSRWBZOSOS-QIWJOQEQSA-N 466.604 0.951 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1836474047 QTAYWLBZHQTPKJ-LIRRHRJNSA-N 481.468 0.447 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1837393114 KIGVWVMPCIRPMR-IERDGZPVSA-N 452.577 0.809 30 20 JCED Cc1nnc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)s1 1837440980 KBSSSPPMEBWYRV-UKKLRFBMSA-N 464.592 0.707 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837524485 IJLOFIWNRBAFRX-BTCHJHNJSA-N 462.503 0.446 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)NCc1ccco1 1837636438 ZNVZWKUMYVKJDF-HFPKFUSDSA-N 499.564 0.607 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-c4ccccn4)[nH]n3)CCO2)C1 1838050197 CGBHPPBNMQQQIP-XMMPIXPASA-N 481.557 0.824 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598618 SJVUGDJWKLHGME-AVRDEDQJSA-N 478.933 0.433 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838952994 ORZDUETUNVBMDG-AVRWGWEMSA-N 477.521 0.842 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)cc1 1839044806 ZEDIHTPLGJYQLU-DEOSSOPVSA-N 495.561 0.533 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839390691 FGZCINJXXNRSPQ-UQQMVDRBSA-N 456.499 0.907 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)o1 1839487931 MNHVGSLMLVSBJK-QFIPXVFZSA-N 465.470 0.439 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C2)C1)C(F)(F)F 1839893158 NMQQFQCKEQVMLY-MOCULFSLSA-N 464.466 0.364 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1840088306 XPPOFTLNFIBIFS-YVHKJVDXSA-N 453.536 0.394 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)C(C)(C)S 1840110783 DGVIIYSWHMQFGU-IERDGZPVSA-N 470.592 0.958 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)ccc1F 1840232498 YWWYNUJURORPEF-UZUQRXQVSA-N 458.490 0.222 30 20 JCED CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)C2)C1 1840570112 RAYQMZSKIFXCJX-FQEVSTJZSA-N 467.448 0.604 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)no1 1840818805 YKGNIVKNBFDGPO-JOCHJYFZSA-N 455.471 0.328 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1840912340 DIKUHAPJTAWNFX-UZFJHSOTSA-N 480.562 0.000 30 20 JCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Br)c(O)c(OC)c2)c1=O 436797450 NJUMPVYHGLCLAC-UHFFFAOYSA-N 482.356 0.672 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 516371752 VDBAAUMGHPXTBH-UHFFFAOYSA-N 498.467 0.977 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1=O 522257108 CDRTWGAMTJRXGK-SFHVURJKSA-N 454.531 0.419 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c1=O 590897476 VZSWOIIMIGCIFR-CQSZACIVSA-N 455.536 0.693 30 20 JCED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 590897589 DNVHHSKDLOIWCQ-AWEZNQCLSA-N 473.551 0.776 30 20 JCED CS(=O)(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 608889550 BBJMGKMBGZRBCR-UHFFFAOYSA-N 471.495 0.949 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)ccc1SC 608910729 GRHYNJRNBHUARL-UHFFFAOYSA-N 460.581 0.401 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc(F)c2F)c1=O 609351176 RPOIZVVTVJLZTH-UHFFFAOYSA-N 460.506 0.838 30 20 JCED C#CCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 820135062 YOGNSUAXZWZHJF-HNNXBMFYSA-N 450.513 0.930 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914668366 QPVORVBFZDNRRF-JLTOFOAXSA-N 450.517 0.407 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1C1CCN(C)CC1 920397758 QFBHGTAVTXFROG-UHFFFAOYSA-N 460.563 0.883 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1286620590 PDFDOIDCBBPSTO-ZDUSSCGKSA-N 469.033 0.939 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1314629593 QOMJNPPUUSWJOG-VQTJNVASSA-N 452.563 0.935 30 20 JCED COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1315538443 UZOGEVBHZZCAET-APWZRJJASA-N 476.559 0.876 30 20 JCED COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CCO1 1315938402 ZEEQAYQKKJUEMI-NRFANRHFSA-N 453.547 0.832 30 20 JCED CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1316339951 RRWZUJCUTQUUFL-SFHVURJKSA-N 458.544 0.689 30 20 JCED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1503372261 SVIDLEUPEZOLNG-UHFFFAOYSA-N 459.514 0.725 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)[C@@H](C)C1 1539579902 RXXBPIJIMOONDN-KBPBESRZSA-N 465.418 0.954 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1541804435 WDJBCDIWAKYKEF-BEFAXECRSA-N 487.586 0.684 30 20 JCED COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1619783046 PDQFZQWPGAPPHX-WBVHZDCISA-N 451.597 0.882 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1729370053 VQXCJFGCGDJEAB-CQSZACIVSA-N 468.486 0.733 30 20 JCED N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N2CCSCC2)C1 1731181307 NMYOFYNZLHMPFZ-KRWDZBQOSA-N 452.541 0.556 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1746537115 PXYXNQNKTUMWBT-KRWDZBQOSA-N 478.600 0.912 30 20 JCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1765911567 CNEVODVNTAIPNW-YLJYHZDGSA-N 452.581 0.541 30 20 JCED COCCN(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1769780756 QWBAYAMPORFBOO-RXVVDRJESA-N 483.639 0.709 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1771369629 PGCOICMSJOIPEY-QGZVFWFLSA-N 473.559 0.479 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778708125 IDXMGDLGXRWAEU-QHCPKHFHSA-N 453.499 0.547 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)N(C(=O)OC(C)(C)C)C1 1779097301 UWQFUIAAGGNUIJ-VAXXYWNWSA-N 494.589 0.033 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1779323260 OJTVAVBOFIAEMA-JXQFQVJHSA-N 496.605 0.827 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779363667 HTTYXASIKMMKOW-UKHSJILJSA-N 452.552 0.588 30 20 JCED O=C(/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1)NC1CC1 1779423053 BXWFPBYGVLWAJP-DBGDDRHLSA-N 462.547 0.864 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1780337792 ITEGEFBSTQPMHW-PKTZIBPZSA-N 473.530 0.702 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)C1 1781269315 KJJPCZUUAFPWHX-DEOSSOPVSA-N 470.526 0.679 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)C=CC3=O)C2)cc1 1782316482 FJMOBAFRHHHZCM-NTKDMRAZSA-N 450.495 0.805 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1783168160 YVFDXQOTUSBIMM-HKARXFIJSA-N 462.547 0.518 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1783349789 JSNARTPBWNLFLH-YGKZAACZSA-N 479.530 0.224 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C1CCOCC1 1783566019 VVHXNUVNMJORJT-KOSHJBKYSA-N 493.557 0.614 30 20 JCED C[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCN(C(=O)OCc2ccccc2)C1 1783671682 IJHFEVLICAXDJP-LOSJGSFVSA-N 483.521 0.953 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1783765976 DDOSQNHIYUQLLP-XCGNWRKASA-N 450.536 0.564 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1783769218 OOKIILLSBXTZPA-DVSDUFGPSA-N 452.552 0.009 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1783769628 WOQYPKWSNZWNGM-VGSWGCGISA-N 452.552 0.812 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1783994419 XGABASCOTIKSSX-MYHAOBESSA-N 498.577 0.381 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1784439534 YILQCMYSKACILY-SEVLPDGMSA-N 476.599 0.798 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(C)(C)O 1785612298 GOEUBEFWRQXHBD-UZUQRXQVSA-N 475.546 0.994 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)ccc1Br 1786802817 ZQAIZGHVKLZSDK-IKICRFKJSA-N 492.374 0.507 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786808145 ADLMZGOUNXZOJY-HAGHYFMRSA-N 486.573 0.320 30 20 JCED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)n(-c2cccc(=O)n2C)n1 1787152316 VDPMMTGSSDRGIX-ZJOUEHCJSA-N 463.538 0.886 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787494491 LWJYVBIOQLSUSB-NLEPDTAZSA-N 476.599 0.467 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787496474 XJQGJMBCPUUNRU-KLNRZKPYSA-N 481.575 0.298 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789199567 NMFAIMATUCSTRA-WFXMLNOXSA-N 488.504 0.633 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1791266985 OORNVCUCMHJHAU-DQKQSUEQSA-N 457.593 0.656 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2C1 1791986792 KDSAITUKEQXGRH-FFDLZJQPSA-N 458.515 0.971 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1792792814 NBFGSCQOZNWYFA-DOHQYTNGSA-N 457.593 0.814 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)C2 1793360050 FQQOAJHLMLARAK-BDEKUHOQSA-N 481.590 0.928 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 1793861311 OSQCSAZGOGUVCU-VPTLXERWSA-N 461.478 0.776 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794213530 HSFNIFNSXZEPDJ-BHXTYQBISA-N 475.546 0.692 30 20 JCED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)C(=O)OC(C)(C)C 1795336530 NUMNLPIXOIVITG-ALXJQNPVSA-N 451.568 0.725 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(-c3cccnc3)c1)C2 1795597867 HYZZWEIRVDHFCC-OPVJXMOQSA-N 451.531 0.752 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1796336716 UERYYHMMFXBKKU-PJVZLEMVSA-N 481.590 0.785 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC)c1ccc(O)cc1 1797589958 XUCGFJCLUHSLRK-KOONPVMTSA-N 473.526 0.543 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncc1O 1798026350 FDBLSUKFLAZACE-HIRMHNASSA-N 458.515 0.907 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1799258237 AFRASZNLAJKEJM-ALXJQNPVSA-N 450.536 0.811 30 20 JCED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884304 QVXKCTULCPGHFG-ZSBFGKGUSA-N 455.544 0.122 30 20 JCED CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)cc2C1 1800129372 VVQZHHPPXQKJED-XEMDLRDOSA-N 457.579 0.204 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2)C(F)(F)F 1800550059 SZYZMCUKAWSLOB-AGGWBTHJSA-N 458.462 0.600 30 20 JCED COc1ccc(COc2ccncc2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1 1800777790 BZTUPWXVGMQNNJ-MRSFGVLCSA-N 479.489 0.960 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802824247 BZBCMTLMXNTVFB-YYAJDYIMSA-N 483.525 0.865 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O)C(C)(C)S 1804478051 IQWJVZATYSBPLN-QVHKTLOISA-N 457.597 0.895 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807354731 KKIIQDXHVDYPTB-OGWOLHLISA-N 451.487 0.723 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810094157 IFYAKTIZCKQXRG-SYYKKAFVSA-N 472.542 0.851 30 20 JCED N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1810357421 PVZQELOBMXWDSA-OFTFSACOSA-N 457.535 0.456 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812876826 YOZCMAFTUYMPIO-HLIPFELVSA-N 473.530 0.418 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812881219 WJRHDRJKRPINAH-NYUBLWNDSA-N 486.525 0.546 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1814035349 JWYREZBUSOGMQV-YVWKXTFCSA-N 455.515 0.949 30 20 JCED CN1CCN(CCC(=O)N[C@@H]2CCc3nc(NC(=O)C(C)(C)NCCC#N)sc3C2)CC1 1814976253 CGHMHTJAQNXKQD-MRXNPFEDSA-N 461.636 0.974 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826802577 FQNVNHXPSGGNJM-KRWDZBQOSA-N 457.512 0.613 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCNC1=N)CC2 1828285093 VESKHICEPMCFCZ-DZGCQCFKSA-N 489.602 0.812 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1828579670 JEOBUPIAZQRVTB-KBMIEXCESA-N 484.553 0.742 30 20 JCED Cn1cncc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828729003 HCVYTVDOPKRHKV-DEOSSOPVSA-N 479.493 0.574 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCN2C(=O)OCc1ccccc1 1829000731 KNEZTZLNFZBVIZ-XMMPIXPASA-N 489.492 0.117 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCN2C(=O)OCc2ccccc2)C1 1829016770 FTFRHZGUQPIDEI-IIBYNOLFSA-N 473.559 0.444 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829123303 GUDNHUNLGZIYBS-ZYLNGJIFSA-N 487.601 0.298 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829309731 JDNICFRSIYZPBS-YADARESESA-N 467.526 0.878 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccc(O)cn3)C2)C1 1829332549 RPTPXCMUOMDWLG-RUZDIDTESA-N 492.488 0.941 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)cc1 1829630042 OEBZITPDXUARCB-VWLOTQADSA-N 492.536 0.201 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1829764870 YHTZCODTRJBLNV-UZQCKINESA-N 457.531 0.076 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1829770399 NXFHPXCKUCAXIV-XSAUMEDDSA-N 477.587 0.266 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CSCSC3)C2)C1 1829770514 VDMAXHPBIYGGBQ-FPSSLUBQSA-N 484.644 0.344 30 20 JCED CC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1830518142 AJMYFHIHKGWBGJ-DNVCBOLYSA-N 456.421 0.813 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc(C)n(C)n4)CCO3)C2)c(C#N)c1 1830954170 TWMJIXZBNJKBTD-RUZDIDTESA-N 481.553 0.850 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1ccccc1 1831207690 YQPDRGGULGTKHN-ZJSXRUAMSA-N 455.511 0.954 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218097 LXOSFNVHTGXHDH-QHCPKHFHSA-N 465.547 0.398 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)CCO2 1831249016 KAKPGFPKRDTDDS-MEKIYTOJSA-N 455.511 0.674 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1831387811 LEDLCGSAQRZCTD-DVECYGJZSA-N 457.527 0.253 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1832800057 GJGTWFFPMGAFIV-QFIPXVFZSA-N 468.470 0.742 30 20 JCED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cc1O 1833412087 ZOHZQDSPIUATPC-QFIPXVFZSA-N 455.471 0.146 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Cn4cncn4)C3)C2)c(O)n1 1833699943 IQIAFOSCEWZDMG-HOYKHHGWSA-N 484.557 0.904 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1833712448 JWQLISAEWBVKPS-ZHRRBRCNSA-N 463.535 0.949 30 20 JCED C=CCCc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)c(O)n1 1834028663 QGSNRZJQZKKGJX-NRFANRHFSA-N 486.617 0.684 30 20 JCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1834532564 JFUJKAJBLSIYRN-QHCPKHFHSA-N 467.482 0.506 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835112089 KJJYYQAOVTVKSD-WBAXXEDZSA-N 479.647 0.934 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)O[C@H]2C1 1835362171 GHHUSTCJNNRVRJ-FVJVTNMWSA-N 492.573 0.771 30 20 JCED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835598378 NHRWRFAJYIPJBX-FOMLIJIXSA-N 454.531 0.878 30 20 JCED COc1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccn1 1835674829 GBPGZNADEZNZDS-DEOSSOPVSA-N 473.574 0.761 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)o1 1837452975 PFBBSIAUAVHLGQ-NOIVPASESA-N 478.502 0.837 30 20 JCED Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486449 FTJRTKUTLFEABC-XMMPIXPASA-N 459.543 0.989 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)nn1 1838352727 RPNJMJVNTHFPEN-QFIPXVFZSA-N 455.446 0.880 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838418914 XXFFVLLWRPRLRH-QFIPXVFZSA-N 490.538 0.335 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CS(=O)(=O)N4CCCC4)C3)C2)c1 1838906899 LUWZEIANDWFALM-JOCHJYFZSA-N 476.555 0.054 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)c1ccc(F)cc1 1839039807 CJXDPVHUEFSONK-CFCCAZDESA-N 453.536 0.778 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1cccc(Cl)c1 1839043624 KGWVMAHDNPKANB-IFMALSPDSA-N 477.901 0.062 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)Nc1c(C)cccc1C)CCO2 1839156268 KAAZSZVYDFDUKY-RRFNBQSRSA-N 484.553 0.557 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1839175931 MBYOWIWUGSJLBI-JPYJTQIMSA-N 461.515 0.815 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1839225690 QVYGWEYOEMGSCH-CYFREDJKSA-N 489.573 0.789 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839772738 HQRSFRARSKDULL-AVRDEDQJSA-N 452.548 0.967 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C(=O)OCC)C2)C1 1839810622 JHHJERIKVZNYEH-QZTZHPFYSA-N 493.557 0.122 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839871488 JPDAQLMQBGODTJ-MFEFFIJZSA-N 480.562 0.048 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cc3C(F)(F)F)C2)C1 1840041193 XNFJOAYHMDIHNT-FQEVSTJZSA-N 472.391 0.931 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c[nH]c4ccc(F)cc34)C2)C1 1840044430 XDSRXLPNIFLTGT-QHCPKHFHSA-N 457.458 0.784 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840048142 RRSUIXLQVRQTBD-GBLYOYEHSA-N 478.546 0.115 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC=CC[C@H]3C(=O)OC)CCO2)C1 1840139952 KMMKKDPZCHSDDY-KCESLBEFSA-N 450.532 0.789 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Sc1ccccn1)CCO2 1840390037 SEDBEANOUMBEBG-PWPXAWQVSA-N 474.583 0.877 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c(C(F)(F)F)n1 1840446508 BAEJLJPLLCRKFR-FQEVSTJZSA-N 493.446 0.724 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c(Cl)c1 1840447728 ARCSGSKQKDUDRZ-NRFANRHFSA-N 458.906 0.963 30 20 JCED Cc1cn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc([C@H](C)C#N)c2)CCO3)c(=O)nc1O 1840716509 KRZUYYNGMHWISK-NSYGIPOTSA-N 495.536 0.655 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/OCC)C2)C1 1840908191 CUTYZQDEXDJOGF-IUOPKOMUSA-N 465.547 0.910 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1841430132 SPXUJYUTJMCDLG-INIZCTEOSA-N 451.568 0.747 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846460796 DQCMYJSGJIKNCQ-LJQANCHMSA-N 480.521 0.986 30 20 JCED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 15358544 QESVSRLUYBXLSE-UHFFFAOYSA-N 498.608 0.504 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(-c3cnn(CC)c3)c2=O)cs1 523572256 JEJNUDGBXSSJCX-UHFFFAOYSA-N 497.650 0.801 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cccc(OCCOC)c3)c2=O)cn1 523863793 BIWNULYKPMTOTO-UHFFFAOYSA-N 479.562 0.922 30 20 JCED N#Cc1cccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 603629086 DMJJTMDHCQBRPC-UHFFFAOYSA-N 456.524 0.952 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)cc2OC)c1=O 603792959 PYWDGZGVBLCMPC-UHFFFAOYSA-N 484.578 0.064 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)ccc3C)c(=O)n2CC(=O)N(C)C)CC1 604270149 PSKOYOYZRMDJNT-UHFFFAOYSA-N 481.622 0.282 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CC(=O)N(C)C)c2=O)c1 604270254 JRIVGHLVGAPKMW-UHFFFAOYSA-N 472.567 0.052 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 728570548 DNAAKEDLZUOBKE-RTBURBONSA-N 459.566 0.423 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CCS(C)(=O)=O 729671639 SAXJWLHCCGXTOC-UHFFFAOYSA-N 461.565 0.158 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCS(C)(=O)=O 729675284 ZBWLXKKTPTXIPT-UHFFFAOYSA-N 498.424 0.745 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 731232603 BKRUCCFRBRNKEN-UHFFFAOYSA-N 463.563 0.926 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 914994549 NYELGXDMEZGGGB-UHFFFAOYSA-N 456.484 0.980 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)cc2C)c1=O 916198480 MRHZZXRAIXIZAN-UHFFFAOYSA-N 470.595 0.125 30 20 JCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 916965442 MEKMVCSWLNZCDI-MRXNPFEDSA-N 474.495 0.778 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 917385828 SQSVBJIOHIXAPG-UHFFFAOYSA-N 472.548 0.505 30 20 JCED COC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918456431 PROWUKQYPBZEOU-PGMHBOJBSA-N 451.505 0.349 30 20 JCED CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1297979103 YTXPWIISNPABQF-UHFFFAOYSA-N 469.546 0.892 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1501901405 OHNMLJJMJLNINO-UHFFFAOYSA-N 462.562 0.984 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1517022470 IRLYMERWVGPXMH-GOSISDBHSA-N 470.552 0.682 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)cc2F)C1 1620171814 LJZNPUXVJFUJOG-NVXWUHKLSA-N 468.486 0.666 30 20 JCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1661036365 MBBMUUFJHFSUAY-CYBMUJFWSA-N 458.591 0.724 30 20 JCED C[C@H](CN1CCCC1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1706817046 OTOLDFZKCYSTIO-KZNAEPCWSA-N 467.596 0.072 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2c(F)cccc2F)C1 1712706587 NGVYHEBDFOQVDQ-RDTXWAMCSA-N 482.513 0.861 30 20 JCED CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCN(C)CC1 1712752911 MOPXDYIJQSGEAR-GJZGRUSLSA-N 457.626 0.444 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1729313245 OCXNCFUNHOZDLG-UHFFFAOYSA-N 453.547 0.568 30 20 JCED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 1729599033 MQCQIBXLQQRNAF-JOCHJYFZSA-N 474.587 0.809 30 20 JCED CN(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1747587356 XOKLNICJAUIOFH-LPHOPBHVSA-N 485.586 0.164 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1CN1CCOCC1 1751240016 YKLQBJJZQMUSMU-PXNSSMCTSA-N 489.602 0.498 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)F 1768639156 XZZRKHXRSFUJKE-MRXNPFEDSA-N 497.528 0.500 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780691405 CKKOHCMPIPQGCV-FDDCHVKYSA-N 458.515 0.887 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781115244 SALQCBQRUBJBPY-SXTKOZQMSA-N 481.590 0.617 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)C2)C1 1782048691 DUARDGIXWGALLF-XBKFQHLESA-N 471.514 0.963 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782641091 WKHZDYAAZKVULM-AOMKIAJQSA-N 483.635 0.770 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c(C(F)(F)F)n1 1783160944 XPWHSIOXMXKETD-BLVKFPJESA-N 451.405 0.552 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(N)=O)C2 1783268630 FBGUTHNMQIWEOV-WJONJSRFSA-N 465.551 0.085 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)C[C@@H]21 1783533318 VESOOXXUDGNAQR-MICHWDEPSA-N 459.543 0.580 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783642255 MBIIOBPQVVZZRK-JFJYTDJESA-N 462.547 0.880 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C[C@@H]21 1784481311 NSWUCGYCAOHREZ-WMEZAQDKSA-N 466.531 0.861 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1785149842 RGBWOQFOHAGFIT-DKIMLUQUSA-N 458.902 0.269 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785631445 UILMCWYLQUSJSP-VFNWGFHPSA-N 453.540 0.344 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1)c1ccccc1 1786890831 HFZZRWCRFKQLLD-KGWSWXIGSA-N 454.571 0.756 30 20 JCED CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)C[C@@H]21)C(=O)C(=O)O 1790635579 WETVOGLOEOGAQZ-BZSNNMDCSA-N 465.623 0.560 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1792490542 FNZKLWMGTDBSPL-MJRBERDRSA-N 451.527 0.201 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793263018 AKGYQHAVBUYLKQ-AJYBTWMASA-N 497.614 0.317 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(O)C(F)(F)F 1793698321 GDYSWSSEEYUTQX-MTCCJSQRSA-N 477.480 0.806 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)n(C)n1 1794724868 RIBNQPDFTPBKGS-SFNKJDCFSA-N 459.547 0.848 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn(C)c(CC)c1Br 1795952225 JBAZQNLDYQJESL-LEDMXFKVSA-N 494.390 0.807 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=N)N 1795984044 BTDYWKQASCXKAY-FCGDIQPGSA-N 456.547 0.979 30 20 JCED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)cn2[nH]cnc(=O)c12 1798464836 UDUYTCLVUIXLIW-ONPAUUETSA-N 452.471 0.246 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C3)c1 1798579045 ZKIUUSZLYHYDOM-WQDJSCAQSA-N 474.514 0.613 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1799129166 WGBFDURRJBOPHA-BJWYYQGGSA-N 451.568 0.771 30 20 JCED CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)cc2C1 1800128222 MIPRVOYBVQIZGS-XNHQWUFLSA-N 457.579 0.394 30 20 JCED COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1801205022 CLEYPQHLFCPUKS-XOIINTDNSA-N 465.304 0.880 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1801372620 GAGJHWRCSCAQMW-ZDQHKECQSA-N 469.538 0.978 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1803914892 BFVOAJJFKAFMSQ-UWZGDBCVSA-N 466.542 0.874 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)CN4CC(=O)NC4=O)[C@@H]3c3cccnc3)c2c1 1804189859 FEIQXIOGRKKANW-AOMKIAJQSA-N 486.492 0.701 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1804193590 CRLYPGYJTNFWJN-KGOJFESUSA-N 490.630 0.290 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1810101537 SSGJLZZSUJVZFY-ZIFCJYIRSA-N 460.535 0.434 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]2c2cccnc2)c1 1811407921 UDGWJKKKNUWPMW-WEYGHZABSA-N 464.526 0.874 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817297871 JVCSFCOHDNWHRO-HIFRSBDPSA-N 462.507 0.732 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829133248 JDVXHUAUACKNLW-OZXSUGGESA-N 498.580 0.503 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1829266722 FMUOBUINVIRTNY-DEOSSOPVSA-N 476.493 0.274 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](O)c3ccco3)C2)C1 1829330167 AQNDLEPWEYGWTJ-RDGATRHJSA-N 495.488 0.853 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829485299 BEZQRFIHKYKDEN-JOCHJYFZSA-N 461.471 0.956 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3OC)C2)C1 1829763810 CDELQIKRHIEPGA-FFYIOULGSA-N 472.542 0.338 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncoc4c3)C2)C1 1829766376 VODQYMJFRLKRPU-UZQCKINESA-N 454.483 0.756 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3Br)C2)C1 1829770494 UMCQDYMQISSZOQ-QEVIJRNUSA-N 493.358 0.773 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1830467199 XIJSVYZEYOEEMT-HSZRJFAPSA-N 461.946 0.480 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1830533260 IXHQELKFWXJJRB-HOIFWPIMSA-N 453.536 0.130 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)CCO2)C1 1830716240 YUSQOLAWQUFGHK-FXKZBUDASA-N 452.548 0.605 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1831213302 ORLOFDUOKDOBEG-QHCPKHFHSA-N 460.552 0.720 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)ccc21 1831213706 TXSLFOXTBQRFNG-XMMPIXPASA-N 452.511 0.360 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831222822 HXSAWEDWOZTHKF-RDGATRHJSA-N 471.529 0.743 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831337519 FDAGJMMUFHJMSU-RRFGBZISSA-N 470.569 0.378 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)nc(OC)c3)C2)C1 1831397290 WRLJDSAGAZOWRG-YCRPNKLZSA-N 451.907 0.852 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832668559 RRSFROJKXUJBCD-MZNJEOGPSA-N 489.525 0.835 30 20 JCED Cc1noc(C)c1CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1833064089 PDXCPMJHYJVVLS-HSZRJFAPSA-N 461.563 0.962 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)c1 1833167927 GCOZWMUOROLRBA-HSZRJFAPSA-N 451.483 0.670 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1834765655 JGAFYDBEXWDACZ-XMMPIXPASA-N 482.537 0.451 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835101530 GBQRLLGOAZFMNV-MHZLTWQESA-N 492.528 0.957 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4Cc5[nH]nc(C(F)(F)F)c5C4)C3)C2)CC1 1835346899 YVZNFGRPJOIEFH-ZUOKHONESA-N 467.448 0.903 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1835645056 PLGKTDVIZDDLGF-DNVCBOLYSA-N 455.556 0.423 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3ON=C(c4ccccc4)O3)CC2)CC1 1835676755 LWYSFWTWJHPZCL-QHCPKHFHSA-N 454.483 0.381 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccnc3C(N)=O)CC2)CC1 1835713744 MCBGMBSAAFYURC-LJQANCHMSA-N 457.575 0.939 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)s1 1836080595 VTUOEECUXGUVEY-PDRBGEHDSA-N 467.548 0.374 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836096340 VIZVWXGPKSVKFD-UHFFFAOYSA-N 466.498 0.713 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)cc(C(F)(F)F)c1 1836212807 NJFVGOIEHGFDIG-FQEVSTJZSA-N 478.431 0.939 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1836213321 GDCIRLMWZZNWNV-AXHZCLLHSA-N 477.558 0.227 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CCO2)C1 1836685921 WZYHCTXKAZTCGB-VIICAESSSA-N 485.581 0.382 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)cc1C#N 1837279179 SGUPEODDPXYWKM-XMMPIXPASA-N 497.556 0.749 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837466667 JOVKYTGJLVMXCU-QFIPXVFZSA-N 475.571 0.121 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1837486111 XCEIXNWEOYGUHN-QFIPXVFZSA-N 461.471 0.956 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)C1 1837487070 WBHZQOPUYUPIAC-UMEGOILYSA-N 476.570 0.731 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1837529755 XZUURWABCRTKNG-VQYXIZGJSA-N 463.434 0.082 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837531291 HNNGYHHBKSPRFK-DKHXQRJCSA-N 482.534 0.501 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1)c1ccccc1 1837614739 WDGLVHRFBWNYLY-STWLZBDKSA-N 487.553 0.705 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)cc1 1838501513 IXRVVQAADGLMAM-DEOSSOPVSA-N 474.477 0.345 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c1 1838582655 YCHKMZFEWZCLJA-QHCPKHFHSA-N 452.467 0.584 30 20 JCED CN(CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1)C(=O)C(=O)O 1838593067 LPFGZZHIINLHAG-UHFFFAOYSA-N 456.499 0.713 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838605152 QWPADNNXPIVSTC-MWTRTKDXSA-N 471.514 0.961 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733008 JEFSQXRCQRPINL-SBUREZEXSA-N 452.515 0.962 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccn(C)n4)C3)C2)c(C#N)c1 1839131636 PDCCEIVKZHXOLF-QHCPKHFHSA-N 453.499 0.613 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1O 1839473706 MXBUKJJZXRWXPG-QHCPKHFHSA-N 467.482 0.934 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn4c2OCCC4)CCO3)ccc1F 1839517946 AUUTZSCWSBGKNX-XMMPIXPASA-N 483.500 0.989 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)CCO2)C1 1839726738 DXYFIYJWXPYENQ-OUVPSQHASA-N 485.581 0.117 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OCc1ccccc1)CCO2 1840019660 VNNNTHRLZGWWCH-RNHFSVANSA-N 487.553 0.796 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1840073091 IMKAWSOSUQADHK-GKVQRAMASA-N 479.574 0.617 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c([N+](=O)[O-])c1 1840163270 FOZWAONNAHBXQS-RBZFPXEDSA-N 467.500 0.770 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1)c1ccc(O)cc1 1840221928 UJVIVHYDZJIOSG-AUSIDOKSSA-N 478.567 0.390 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C(C)C)CCO2 1840583866 ODGSUINWNCWHJD-CVDCTZTESA-N 451.564 0.825 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCNC)C2)C1 1840909315 QSYIIYXFDOIIEL-MBSDFSHPSA-N 466.579 0.359 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CN)C2 1846366193 XUIJOKYLMGDNOR-HOTGVXAUSA-N 467.567 0.590 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1847813528 KFQPZVCFKKYMIE-BPUTZDHNSA-N 460.556 0.634 30 20 JCED CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 518072485 NZFTYPAAYIBHNY-UHFFFAOYSA-N 469.523 0.698 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3[N+](=O)[O-])c2=O)CC1 518724061 DEAUCBZQDKPIEK-UHFFFAOYSA-N 483.550 0.447 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)cc1 589159987 WNGJJLGXAJYDSL-UHFFFAOYSA-N 463.471 0.518 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O 589161370 RTBXCWRBWFHQOY-UHFFFAOYSA-N 469.535 0.855 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 603796032 JDTGHWUTHSSNIO-UHFFFAOYSA-N 485.566 0.425 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CC(=O)N(C)C 604269965 AFKROENNXXAYJE-UHFFFAOYSA-N 490.557 0.192 30 20 JCED CON=Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 800767781 NAGHPMVQDPEGNV-UHFFFAOYSA-N 464.500 0.962 30 20 JCED Cc1ccc2c(c1)C(=O)N(CC(=O)OCC(=O)N1CCN(c3oc(C)nc3C#N)CC1)C2=O 915380125 INLBZZMEXLOXLP-UHFFFAOYSA-N 451.439 0.651 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCSC2)CC1 1288986314 RRCCXIYROMTKCV-DNVCBOLYSA-N 470.621 0.609 30 20 JCED C[C@@H]1CN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1291291212 LOLAODKDTVCECS-FGTMMUONSA-N 452.581 0.410 30 20 JCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1301725891 UENYPGCBZFAWGB-UHFFFAOYSA-N 489.627 0.864 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCN2CCOCC2)cc1 1505320471 ZJNZKBQZCQYOTK-UHFFFAOYSA-N 460.560 0.686 30 20 JCED N#C[C@H]1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCN1C1CC1 1642706008 NBJMIDFXUBFGBB-IBGZPJMESA-N 459.572 0.498 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1643325495 IVTPZZJULKYNFV-CQSZACIVSA-N 452.533 0.867 30 20 JCED Cc1c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)cnn1C 1707028961 PTYSTIOIUJDYKP-GOSISDBHSA-N 462.580 0.831 30 20 JCED CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769363127 YBWCSPOFAQUTLI-AWEZNQCLSA-N 483.396 0.761 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H]3CNc4ccccc4O3)C2)C1 1778929187 ZLSCAOZOPNRLML-DNYPJJFXSA-N 454.527 0.938 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781295473 RSRRHLMPRDKXOW-KKSFZXQISA-N 463.539 0.363 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)ccc1F 1781299573 GDPMAOVRQJQCDU-QHCPKHFHSA-N 483.456 0.840 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873124 GTNOGKSOJVINOY-YBJWPOLQSA-N 490.626 0.765 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783168182 ZKQYQGWSGSAGLA-XCGNWRKASA-N 450.536 0.422 30 20 JCED COCCOCCOCCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783666844 QMRJZTXMHSUPOH-HFGSDPQMSA-N 454.568 0.358 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784004448 DTTBJIYOSTWOBW-JTEYNYCHSA-N 492.573 0.047 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)Cc4ccccc4C3=O)[C@H]2C1 1784160865 JAVGFPDSRIUZJQ-CBVHJVASSA-N 459.568 0.900 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1785572557 MOKPNTVWKPWNJQ-HXOBKFHXSA-N 459.499 1.000 30 20 JCED N[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)c1cccnc1 1788658619 RSOREIHCEYJOSX-LSSTVSAISA-N 459.547 0.980 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1 1789808258 GMJWHABQJVOSAD-KNJMJIDISA-N 461.559 0.607 30 20 JCED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1790569312 SLQKLUKLCZRLAE-UFYCRDLUSA-N 457.600 0.955 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccc(O)nn4)[C@H]3C2)c1 1790588838 RBVYUGHACDWFTI-SNRMKQJTSA-N 467.482 0.735 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792585914 VLMJUWOUQYUZOW-OGJJZOIMSA-N 462.547 0.019 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793248631 QHBZJJUOVIMZKO-RHXYOOSCSA-N 464.563 0.759 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795524856 IPKKCQPRUIYPOT-RCLSDMTESA-N 471.558 0.542 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1796445206 LQEQYWGJWWCKCD-CTSHNCOSSA-N 481.596 0.502 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOCCOC)C2 1797714103 LIHHBCZVAYEOGL-IIZPIQPGSA-N 486.606 0.235 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1799231963 FDJRLEGRGPJVLN-VBRUWADQSA-N 494.589 0.336 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1799232581 PYSCCJIZBNLROY-GQUPQBGVSA-N 490.601 0.799 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236157 KTNAAOGDPQTNEF-BMFAXAFESA-N 491.589 0.628 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCNC(=O)OC(C)(C)C 1799255403 URQXDRKLWFFANW-VXIBKDFQSA-N 453.536 0.156 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccccc1)C2 1799302000 RIEUBXUYUXHFOV-WXKDIYIQSA-N 469.538 0.958 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1799302537 DAWWZFVJLBYKAJ-AYMMHLMVSA-N 461.559 0.877 30 20 JCED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(CCO)CCO)C3)ccc1Br 1800634774 WCKYTSZHDIQUML-BCDXTJNWSA-N 479.375 0.859 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1OC[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]12 1800732278 XHHALOWCDXLHCD-VGDDQXJSSA-N 461.559 0.871 30 20 JCED CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800774940 SHQZKENEMHCNOY-WEMPKCCASA-N 471.510 0.759 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)[C@H]1c1cccnc1 1808393037 KRZBKIWQXWLZQO-GEQCWPQLSA-N 484.582 0.748 30 20 JCED N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810357420 PVZQELOBMXWDSA-MWEMTTCBSA-N 457.535 0.456 30 20 JCED CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810359542 XBMXEKQOIGYTMU-BPKIABIESA-N 460.535 0.888 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1819393010 CMPPQQKSDLFZBL-BBJIBYMTSA-N 455.456 0.598 30 20 JCED C#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CC2 1828098607 CFINLLXFQBOWPF-AEGPPILISA-N 475.596 0.649 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828965447 YGYLDRADKUEZSC-DVECYGJZSA-N 458.559 0.970 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCN2C(=O)OCc1ccccc1 1829243752 HFHNKILSTDXVTN-VWLOTQADSA-N 498.536 0.395 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C1 1829260505 RATKKARAQXACCS-JPYJTQIMSA-N 490.582 0.400 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)cc1 1829631574 LHSKDFUYAVWKFV-XMMPIXPASA-N 479.493 0.749 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C)nc3)C2)C1 1829764645 RUCWUXLUBYTBIQ-QZOBCFMQSA-N 456.543 0.637 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1830039370 VPOVTKZDQOLOMS-QFIPXVFZSA-N 462.934 0.419 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1830646373 XFHBGOYUTJDTIQ-RUZDIDTESA-N 498.617 0.907 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)C(C)C)CCO2)C1 1830876282 OARIGGSBNYWILL-IEGUWTFLSA-N 469.579 0.929 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3c[nH]c(C)c3C(=O)OCC)C2)C1 1831388725 WNMAYNHAGBALBK-KBMIEXCESA-N 489.569 0.927 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831393894 RANPGEUEKOUMNJ-PMAPCBKXSA-N 483.562 0.021 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1831426414 LFQGPDFOQSWHMU-LAUBAEHRSA-N 452.577 0.999 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1831434294 VHKOSUMPGYOEPT-ZHRMCQFGSA-N 456.543 0.800 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1831490554 CVFIXZAWDINRPD-REWPJTCUSA-N 476.599 0.751 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1831999286 ZHJSAFBLKBOVPV-QMHKHESXSA-N 493.561 0.665 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1832015751 YLFYIRBCMHIREQ-XFAGBWLFSA-N 493.557 0.614 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1832456401 QTORTHAGMUUWJZ-QHCPKHFHSA-N 474.583 0.866 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1)c1ccccc1 1832691895 QJULDMYKHZRVOY-RLSLOFABSA-N 482.537 0.238 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCOCCOCCOC)CC2)CC1 1833469449 XNQWMFJGDVXKJK-HXUWFJFHSA-N 467.607 0.666 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)cc1 1833489028 PQSFWTOSZCJGFW-QHCPKHFHSA-N 465.466 0.359 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)nc1Br 1834763648 QEODFJIKZTVFLX-GOSISDBHSA-N 453.293 0.836 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835169701 IRBFZTMGZVYZEE-GBXCKJPGSA-N 460.527 0.987 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1835668341 ZOYNMWKYHLDXRA-QHCPKHFHSA-N 492.598 0.442 30 20 JCED CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4Cl)C3)C2)CC1 1836674999 ZOXVBRFYRXBRON-QHCPKHFHSA-N 475.977 0.529 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836764125 CDDIRAHPJQOUEZ-ZJSXRUAMSA-N 462.591 0.375 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837015421 VKSHCYIDXXKCSL-JOCHJYFZSA-N 455.519 0.081 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1837308943 DYEIJSZBTUNHOF-ZRCGQRJVSA-N 466.531 0.706 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1O 1837447324 XVTBEVHFFCECET-SKLAUCLBSA-N 487.557 0.892 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486740 NGDMMDNORGLNFI-DEOSSOPVSA-N 463.575 0.304 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1837531696 TZNUOJYFUJIVDX-KKRXVXNVSA-N 450.467 0.820 30 20 JCED C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733007 JEFSQXRCQRPINL-HXOBKFHXSA-N 452.515 0.962 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccc(F)cc1 1839038878 GJMWFLXQXRBISP-ISKFKSNPSA-N 457.502 0.873 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1839069248 SQTFDARZMXPOJW-RNHFSVANSA-N 492.617 0.701 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn(C)c4C)C3)C2)c(C#N)c1 1839131998 MAJXSCLWNWWFER-XMMPIXPASA-N 467.526 0.922 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)c(C#N)c1 1839133554 WDEHBLBKZVPIOU-IKJKNFHUSA-N 455.511 0.458 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1839174856 ALRXRBDHDMCFEX-RPWUZVMVSA-N 487.509 0.687 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1839227041 INBNWYGJPFVEKI-KOSHJBKYSA-N 491.541 0.707 30 20 JCED C[C@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401054 ODAOKVTXNONGHH-VBKZILBWSA-N 479.331 0.525 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)ccc1Br 1839401701 WLHMLLAFJGGRGT-IIBYNOLFSA-N 491.342 0.527 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839421747 JEFKRSAVJCGGKA-NRFANRHFSA-N 463.535 0.251 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2)C(=O)O 1839423778 WJJSYOHCTZCVIY-DYESRHJHSA-N 464.906 0.344 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H]5CCCOC5)C4)C3)c2c1 1839489514 ZTJIUPLEOQYYGR-UZUQRXQVSA-N 453.499 0.931 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]([C@@H](C)OC)N(C)C(=O)OC(C)(C)C)C2)C1 1839809739 JTJXHJSPLCNWFS-NRJQMVOHSA-N 453.536 0.346 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)C2)C1 1840164338 GQNNQNYMHIIZGS-FAUQUUSTSA-N 499.630 0.786 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251457 FREWQGJPXZMVJQ-FDDCHVKYSA-N 490.561 0.300 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819821 HJASPQTUONRDAV-SBUREZEXSA-N 473.530 0.101 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1841597958 FCAWLJUEMJORKX-LRIFPRNHSA-N 469.604 0.890 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N1CC3(CCCN3C(=O)CC#N)C1)CCS2(=O)=O 1842623618 STALSXLLXWDPIW-HNNXBMFYSA-N 466.560 0.528 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(C)=O)C2 1844215605 YZPNFTDAYKNFLQ-MRXNPFEDSA-N 481.550 0.131 30 20 JCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1846331004 ZAGGLXBCEDDQPO-UONOGXRCSA-N 463.622 0.836 30 20 JCED C[C@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1)C1CC1 508368974 IDNAGEJPMIHGRY-HXUWFJFHSA-N 481.962 0.786 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2)cc1 515988722 GZDSNZYVAKGZTG-UHFFFAOYSA-N 468.583 0.917 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc4c(c3)OCCO4)c2=O)cs1 516829358 KLLRSFXKZJIOSL-UHFFFAOYSA-N 498.586 0.955 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4nccnc4c3)CC2)cc1 517112760 AZMGGRNXPNGAMM-UHFFFAOYSA-N 450.480 0.973 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O 589157612 HLLDBLQYZUWRGN-UHFFFAOYSA-N 461.927 0.938 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 602252197 HDUNZWKQOOINHK-UHFFFAOYSA-N 498.561 0.918 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 608828253 KJGWMJKCWKURNZ-UHFFFAOYSA-N 490.541 0.820 30 20 JCED C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(=O)N(C)CCC#N 729628993 WBAWSLMRUWWQJM-OAHLLOKOSA-N 452.533 0.691 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2nnc(O)c3ccccc23)CC1 747773694 CKNIIFFNVQFSDI-UHFFFAOYSA-N 481.490 0.897 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O 748565514 WMXRMELXARRPTO-INIZCTEOSA-N 491.545 0.281 30 20 JCED C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CS2 748606897 RZEWPYAIEKCWHI-IIBYNOLFSA-N 492.579 0.388 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918339706 GDXFWUOJKKNOLL-UHFFFAOYSA-N 476.580 0.666 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)c1 927571614 OWRPUQPESOVBIT-YLJYHZDGSA-N 470.569 0.473 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1301045581 UXJPGPAVMQASEZ-INIZCTEOSA-N 459.016 0.923 30 20 JCED CC(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1303168328 XLCUXSJEYBLCMB-GOSISDBHSA-N 474.591 0.860 30 20 JCED COCCN1C[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1316121803 ZZEIPOMHRKKLSL-LLGFUMIMSA-N 464.592 0.805 30 20 JCED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1317983001 DOOPPVNOPBBBLX-QGZVFWFLSA-N 471.605 0.007 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)C 1359084975 XNVLMMIQBARPPC-CYBMUJFWSA-N 479.401 0.480 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CC1 1502343169 KRLXVOGBHKZNTP-SLFFLAALSA-N 496.682 0.623 30 20 JCED CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503291538 SGVOROORGBWCCT-IWAYBZMOSA-N 480.620 0.250 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1517076169 ZYXWWFOVOOJJTO-NRFANRHFSA-N 467.574 0.959 30 20 JCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1519520556 DMNQOLDHQFEINH-UHFFFAOYSA-N 466.589 0.627 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@H]2C1 1539600805 VSZYPTPJYNEARR-CHWSQXEVSA-N 491.368 0.160 30 20 JCED CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3OC)CC2)cc1 1561877807 OYZKFXVMEPOAJV-UHFFFAOYSA-N 450.542 0.986 30 20 JCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)CCCc3[nH]nc(N)c3C#N)CC2)c1 1596375775 WGARISASGNGEER-UHFFFAOYSA-N 459.576 0.715 30 20 JCED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2cc(Br)ccc2C#N)CC1 1653783375 RBJFZWCJCDMMCW-UHFFFAOYSA-N 451.368 0.176 30 20 JCED CN1C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCCS(C)(=O)=O)CCN2C1=O 1696877215 OYOOXHUDQAZMJV-QGZVFWFLSA-N 473.559 0.719 30 20 JCED CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1708331503 DQCYLMBIUHNRGZ-VWLOTQADSA-N 497.600 0.871 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1710988814 MDLGKBOUDFZAGF-UHFFFAOYSA-N 480.573 0.561 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 1731191101 YYMQDYLSBYXTCX-RBSFLKMASA-N 462.498 0.793 30 20 JCED CC(C)(C)OC(=O)NC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)COC1 1750496537 JTMHZZVPMLFIOT-OAHLLOKOSA-N 461.523 0.537 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1751228972 XBYOYAWBTIPXOI-RDTXWAMCSA-N 458.610 0.843 30 20 JCED CCCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1764581050 LSMKPUSCSXVNFV-UHFFFAOYSA-N 468.566 0.167 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779207013 RBQYJMVEOSCMSA-ZIJBZNOBSA-N 456.499 0.140 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779534817 UGOTWHGTUJSZPV-QRTJQILJSA-N 450.536 0.720 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)Cc2cscn2)CCO3)c(C#N)c1 1781172280 GUDDPLVWLKUKEX-NZQKXSOJSA-N 469.567 0.966 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)ccc1Br 1781902186 CHPMTVKHABDJGC-OXJNMPFZSA-N 478.347 0.357 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)c5n[nH]c6ccc(C#N)cc56)C4)C3)CC2)CC1 1782199404 MJWKGKAWIHPHIN-DEOSSOPVSA-N 477.569 0.658 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)CCO2 1783905812 RXGZCIMYLFLIFQ-DEOSSOPVSA-N 453.543 0.655 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1783994428 XGABASCOTIKSSX-ZPVCBTJVSA-N 498.577 0.381 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1785593267 WXBSUEDVVCLHGN-URZJWIJPSA-N 485.603 0.720 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1785596504 XXMJSICNIXOEJK-KHIBUBOWSA-N 461.519 0.162 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)c2ccccc21 1786858390 LVKGLMLOUZHXAN-WFXMLNOXSA-N 482.585 0.602 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1ccc2c(n1)OCCO2 1787382681 BKNZUSRHIHZZPP-GGIWEXCQSA-N 474.514 0.975 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccccc4n(C)c3=O)[C@H]2C1 1787973876 MDZJAOKQJMTDBA-BOSXTWCSSA-N 452.511 0.565 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/C(=O)c4cccs4)C[C@@H]32)CC1 1788192831 OZKGMHFWGIKUKY-BUXHUDTESA-N 460.600 0.714 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788653150 WBJJICYUWPXAOX-ZPVCBTJVSA-N 498.577 0.381 30 20 JCED Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)c(=O)[nH]c1C 1788655460 GTUVFPQLGQXULC-IRYRZFEGSA-N 461.519 0.509 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4C(=O)C=CC4=O)C[C@@H]32)c1 1789256735 SQBVTSRXDUUAIB-VDGAXYAQSA-N 466.494 0.475 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1)[C@@H]1SC(=N)NC1=O 1792424810 VZMWYEKIPVAZLY-HIHRSEIJSA-N 469.567 0.883 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)nc1 1792556033 ZXICDEQISUNQON-OPMZPASUSA-N 468.535 0.803 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1793360715 YRVHPTPTJIOSDV-QLCXLMDBSA-N 483.562 0.624 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1793371691 FVCMONFYDWNHDX-FRQROOTJSA-N 459.528 0.318 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C2 1793592715 PVKFCJJKHISSFG-OGJJZOIMSA-N 466.579 0.960 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O)c1ccc(O)cc1 1793835413 SMFNJFRZVXVXGS-PRHHBONVSA-N 468.510 0.031 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2)C(C)C 1799385986 ZJKYPVNKFBHPLT-PJVZLEMVSA-N 491.589 0.497 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O)c1ccc(O)cc1 1800199054 ACTZBBKJZYJPSC-MVOHMCPASA-N 464.522 0.736 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(Br)c(F)c1 1800439061 YTDZKDISCGUSSC-DBWKPXFBSA-N 453.264 0.808 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)c1ccc(O)cc1 1801051697 NBFSMLCHCHPGFF-HQBFLTFPSA-N 491.610 0.807 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1OC)C2 1802124972 LPDBBQWXLVTTMT-YVSFHVDLSA-N 473.530 0.605 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@H]1c1cccnc1 1802498234 NSNFPCIWFJYFFW-ROBCUVFQSA-N 493.568 0.416 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC3(CCN(C(=O)C#CC(=O)O)CC3)C2)cc1 1805561863 XMAQPMJPCRWIFF-SFHVURJKSA-N 475.567 0.981 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)cc1 1807949131 NBNSHWPITTTXTC-GHTZIAJQSA-N 483.492 0.907 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c(C#N)c1 1808165246 UWOKSLWHRRTFNS-MHECFPHRSA-N 490.520 0.762 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810393938 YFQBGRMGMGPNRR-GUZAIAMPSA-N 457.487 0.864 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1814973422 XHSHIKGUNADMRK-ZDUSSCGKSA-N 458.544 0.652 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)[nH]n1 1822201177 XIOJBYIWHDRWCL-MRXNPFEDSA-N 492.496 0.683 30 20 JCED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1825252449 FZAGKPPIDLCRCZ-MRVPVSSYSA-N 450.431 0.706 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1COc3ccccc3O1)CCO2 1831222896 KEOBBMYTJTWANJ-ZNWRTWMLSA-N 485.537 0.531 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831328638 FBYYYXKYNLVKTH-JTSKRJEESA-N 478.571 0.150 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nn(-c4ccccc4)c3O)C2)C1 1831387869 RVSPXFUICIJNKK-UQBPGWFLSA-N 482.537 0.995 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832791334 HVGRWFOIBFTMET-IERDGZPVSA-N 451.524 0.993 30 20 JCED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n[nH]1 1833818562 MKWJIUUCEJTYHH-HSZRJFAPSA-N 451.483 0.797 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2)NC(=O)OC(C)(C)C 1833886618 ZNYVZAQGBACDFS-SBUREZEXSA-N 492.577 0.745 30 20 JCED Cn1nc(C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)cc1O 1833945295 XSBVJQGDNPDTHV-VQYZLWMVSA-N 462.551 0.840 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834177490 MJMQAUOZICTXBR-WZONZLPQSA-N 475.546 0.407 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1835675474 SBZQGILDJFNQEE-KRWDZBQOSA-N 482.431 0.080 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1835676785 ABXHIDWVUXUSRK-XMMPIXPASA-N 472.542 0.810 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)n1cncn1 1835769094 SKHNFNQSVWHSGP-JKWRJKHLSA-N 461.567 0.940 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835891645 SEEXMOAHBSPSBG-CYFREDJKSA-N 480.606 0.748 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835973770 SDQXCKKWTBXTQF-FPULXPDJSA-N 469.926 0.522 30 20 JCED O=C1NCc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)ccc21 1837150586 SQOGCJMRZHMIQC-YGZZXYRMSA-N 486.525 0.529 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)ccn1 1837977220 AKLSYQQNHHTAMT-XMMPIXPASA-N 457.527 0.859 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(O)no5)CCO4)C3)c2c1 1838109496 UFWALBIUQGIOOI-OAQYLSRUSA-N 452.427 0.512 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838249400 UWEZIFUXKPKQKD-NWKSEYAWSA-N 450.467 0.820 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838341470 YISZTJGPDIMTSX-HSZRJFAPSA-N 452.467 0.341 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c([N+](=O)[O-])cc1O 1838601577 PISKZZMETHODQW-BUXKBTBVSA-N 455.489 0.697 30 20 JCED CC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131241 TUEMTNXSRXBWDP-HSZRJFAPSA-N 478.546 0.573 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1839175080 OOCSTPCVGGCQRR-JOCHJYFZSA-N 457.487 0.309 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)ccc1F 1839186141 BWXSEDWOYKCEKX-DEOSSOPVSA-N 474.533 0.419 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C3(Br)CC3)CCO2)C1 1839207659 VOWHUFWZKNDDPX-SFHVURJKSA-N 457.369 0.652 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1839227750 XMSZQMBGSCGYKO-QVKFZJNVSA-N 477.543 0.627 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1840157318 LCWMMJKUXLIRPV-HJPURHCSSA-N 475.567 0.376 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)c(O)n1 1840177549 CPOQWIZOGJQTHL-RPWUZVMVSA-N 491.541 0.592 30 20 JCED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840200020 SXIYMMWODWZYMO-GCJKJVERSA-N 473.555 0.619 30 20 JCED COC1(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CCC1 1840616725 KTNHZAFKFCDVSZ-OEEWFINQSA-N 453.536 0.931 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1)NC(=O)OC(C)(C)C 1840795945 LBQZBQKQZSTFIN-YTZAWJCFSA-N 494.589 0.581 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812643 CFPOLZRAZVXDRF-HXOBKFHXSA-N 479.578 0.379 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1840818434 BUGLKWJGPJPXLI-QHCPKHFHSA-N 481.465 0.195 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1840818595 KYDVYRCUSDDRED-DEOSSOPVSA-N 498.561 0.885 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1840906676 GTXVGMSKRGTXAH-AXHZCLLHSA-N 494.589 0.274 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1840909660 ZUCRDOIWYGUMMH-DNEJYPSXSA-N 492.573 0.399 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2 1841056451 IUXDAIQEDPIPDE-KFKZIDAKSA-N 496.564 0.820 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](COC)NC(C)=O)C2 1841747434 RPFNYPKYEICRNZ-SJORKVTESA-N 452.552 0.810 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)CC2)c1 501453133 RCTWALHQKQOGPC-UHFFFAOYSA-N 461.526 0.942 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 603586533 RZIJBVDPUCCYCW-FQEVSTJZSA-N 455.540 0.863 30 20 JCED CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 608967461 QJZAAODPGQDKPV-CQSZACIVSA-N 450.542 0.964 30 20 JCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 726597306 GOUWLQOIYVNBFQ-QGZVFWFLSA-N 482.628 0.617 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 728720644 MGJBHTPGWWGWCV-WFASDCNBSA-N 476.349 0.640 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCN(c4ccc5c(c4)OCCO5)C3=O)CC2)o1 730621630 OCSDRDNUWFDJGJ-KRWDZBQOSA-N 495.492 0.871 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C(=O)OC)c2cccc(Br)c2)C1=O 730994263 IDKSTJWPGYLWFN-GOSISDBHSA-N 452.261 0.930 30 20 JCED N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 731236205 RTCWCVXUSZGQGE-UHFFFAOYSA-N 450.517 0.494 30 20 JCED Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)n([C@H]2CCS(=O)(=O)C2)n1 750821862 TZCHEYASKUJKQJ-KKSFZXQISA-N 470.511 0.829 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 828073516 RJMMORZDRUGSIA-WBVHZDCISA-N 499.611 0.863 30 20 JCED N#CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 915774981 NIXXMTSCFDUWMV-UHFFFAOYSA-N 472.527 0.191 30 20 JCED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1 916774070 CUPHUKRCURSWGU-UHFFFAOYSA-N 481.552 0.960 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)c1 918314435 YIXOIBJYMGTVNU-PYCFMQQDSA-N 499.615 0.322 30 20 JCED Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1298912142 RFAKIDMLWWWLGT-UHFFFAOYSA-N 455.548 0.759 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 1359474116 NOTOOPPIJXDNKC-MSOLQXFVSA-N 482.655 0.233 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1504888194 KURHKWAAACYWQZ-JKSUJKDBSA-N 494.540 0.810 30 20 JCED CC(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1508871265 KJGVBTLEWFSRQC-QYZOEREBSA-N 481.623 0.460 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1510217032 FXGQWKFNWORIKO-PKOBYXMFSA-N 492.650 0.858 30 20 JCED C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1512554710 KGEBHWLHOGXQJK-QGZVFWFLSA-N 462.576 0.930 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N1CCCC1 1598081380 OTHHTWLNQLJAST-INIZCTEOSA-N 456.590 0.826 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCC[C@H]1C 1611707240 NKRZNAXEAGCDLE-DOHHPOSVSA-N 451.597 0.616 30 20 JCED CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1 1615337314 NJAOXBFLWIEBMI-UHFFFAOYSA-N 474.591 0.950 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 1668035894 JTUYHGMNCDMUDG-LBPRGKRZSA-N 454.509 0.758 30 20 JCED Cc1csc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)n1 1693330620 PWPUFCYQRZIWPG-CXAGYDPISA-N 455.541 0.866 30 20 JCED C[C@H]1CN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 1708242736 LPEKTYFPDZPTOX-CYJAXWMASA-N 457.576 0.830 30 20 JCED COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1730302323 WDIGGXSBYNFSRO-AEFFLSMTSA-N 460.560 0.888 30 20 JCED N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCC(=O)N2CCOCC2)cc1 1731182916 WVURJBSNGCTANV-UHFFFAOYSA-N 467.530 0.536 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CCO1 1741111940 TZIIQLGKQYNTDP-DUTUXMCTSA-N 472.571 0.981 30 20 JCED CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1746325220 KSACJHUKSRNKPJ-IAGOWNOFSA-N 455.585 0.070 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCS(=O)(=O)CC 1749085099 XXEDYGLCEXGWJD-NSHDSACASA-N 458.404 0.668 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1764887839 RSMSAZAXHSVYCM-VWLOTQADSA-N 480.617 0.874 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1766881085 SFZLWBVXQVODTG-UHFFFAOYSA-N 459.576 0.462 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCOC2)c1 1768523490 JXIHLWKZKNIGTI-UXHICEINSA-N 464.523 0.789 30 20 JCED CS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1770340794 XADJPNDWTPOBAH-FQEVSTJZSA-N 473.603 0.416 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)CC2)CC1 1778321294 MALJLVCETCOYEN-SANMLTNESA-N 470.614 0.953 30 20 JCED O=C1NCCCn2nc(C(=O)N3CC[C@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)cc21 1778380062 JEDRFRWLTBWEJR-DEOSSOPVSA-N 469.542 0.159 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)Cc3ccc(F)c(C#N)c3)C2)CC1 1780756005 XWQGZZBRUOOCDL-ZEQKJWHPSA-N 499.587 0.918 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1781290202 GNBLLBYZXUNXEW-HJPURHCSSA-N 493.561 0.228 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781352051 WYODGAIEZBQQDC-HXOBKFHXSA-N 481.594 0.374 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)COCCO)CCO3)C2)ccc1Br 1781904069 YOYJERDDXLOZFX-IBGZPJMESA-N 452.305 0.773 30 20 JCED O=C(CNC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1782238190 CLRNNCWZCZTHJW-OXQOHEQNSA-N 473.492 0.877 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782749784 OLBABGOCWKIQCD-WAIKUNEKSA-N 496.561 0.219 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567826 BLFSTIMFEFRYDG-QZMQVMSPSA-N 463.531 0.988 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783568197 QOXJNMDTIVRDOH-PKTZIBPZSA-N 463.531 0.942 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1783883004 BXPXFRIHZBTXAC-AOMKIAJQSA-N 479.534 0.535 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2)NC(=O)OC(C)(C)C 1785308902 ZVPAIWHXIXMJJS-YVHKJVDXSA-N 477.566 0.924 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1785575674 AURLVTNGINGVRR-ZWWNWMABSA-N 450.536 0.258 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1785577232 VLLUVGUTMMPQID-GSHUGGBRSA-N 483.587 0.310 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)c(O)n1 1785773906 FKRQGFLUCNYDOF-FNHZYXHNSA-N 493.524 0.544 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)c4ccn(C)c34)[C@H]2C1 1789148973 GBOUVYHLTKYEKW-NEEPFQIASA-N 467.526 0.731 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)C1 1791332423 CCOLEPWUFYVDFX-QPBWXXGLSA-N 487.557 0.852 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC)NC(=O)OC(C)(C)C 1793321806 PEBRSKRKLBOEND-CLWJZODNSA-N 487.619 0.870 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)C2 1793343414 WUHRCYHOOXUTOX-OMZCGLGVSA-N 479.574 0.640 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1793359333 VDZMYWUIYWQTLF-GZXWBTJBSA-N 467.563 0.851 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC(=O)NC 1793501153 AGZNYMOWHCOCCA-YYIAUSFCSA-N 495.577 0.566 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)OC)C2 1793592730 QVMWJWLZZPEAHV-RCJHGTSTSA-N 485.603 0.952 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)ccc1Br 1795391166 OUGCLRBCTOLSMK-CXHZTBPHSA-N 461.316 0.803 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)c1n[nH]c2c1CS(=O)(=O)C2 1795931909 URRMIHTUXVZDBT-CWPLJXCYSA-N 454.508 0.093 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796400199 GVILTCBAOHXFGW-LUYSREMJSA-N 485.585 0.458 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)c1 1796426617 KFMFMLOUFXXBJV-CUWKQTPXSA-N 455.540 0.872 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2ccccn2)nc2ncccc12 1798467642 YXQNNTQNYWCXKF-RSQQPWMTSA-N 471.473 0.983 30 20 JCED COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798577078 VWMRZUBAIOMTFP-RMFSNUHRSA-N 453.499 0.927 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)c1Cl 1798590375 YQSOZMJNUPXUFV-YWVIFJGQSA-N 454.874 0.618 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)C1 1799197390 YTXKWXWVGUFQRL-ZHCJQAHYSA-N 450.536 0.354 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c(Cl)c1 1799749066 IOKXXXFAKXMOFE-IVWMJMPLSA-N 489.941 0.880 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C(F)(F)F 1800551923 RYWYRJTVUPQDRU-LXTVHRRPSA-N 465.469 0.970 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1802040574 GHSPCBJAPHJUHN-WTTYXFFKSA-N 487.576 0.934 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1802148477 BKRKCMVBCZNCCZ-KCYAQADSSA-N 483.566 0.146 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC3(CCN(C(=O)C#CC4CC4)CC3)C2)n(C)c1=O 1806898950 PKBOATBLQGFPJY-UHFFFAOYSA-N 466.542 0.078 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1814062407 GPYSXGKNTCDIRD-GCJKJVERSA-N 487.453 0.763 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1823386614 STTRMXGLAPBYLQ-RDJZCZTQSA-N 453.503 0.945 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)C(=O)N(C)C)CCN2C(=O)OCc2ccccc2)C1 1828936381 UJGRIOUSFKNTGM-KSFYIVLOSA-N 462.572 0.845 30 20 JCED Nc1nc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cs1 1828987769 HSYNRJCOPNPNGC-QHCPKHFHSA-N 497.533 0.879 30 20 JCED Cc1ncncc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829154019 FMJAPGXFDPUQSE-RUZDIDTESA-N 491.504 0.939 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCO2)C1 1829622063 JSHSVWVSGQQDKZ-HSZRJFAPSA-N 473.530 0.876 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)C1 1829762856 UCONDGVDTQXCOD-PLGXJTBGSA-N 482.537 0.494 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccc(OC)c3OC)C2)C1 1829771216 MJASEQLFRGMKSJ-IBLIISRWSA-N 491.516 0.771 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 1829776940 KEUWIHLSYVOPFG-IYZQMXKPSA-N 490.488 0.591 30 20 JCED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)cccc1=O 1829900301 ATUIOKSNOYPUGK-DEOSSOPVSA-N 450.495 0.570 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)C2)C1 1831402069 MTMLLUBAWSDPLV-NTKDMRAZSA-N 492.594 0.517 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831608079 BJUUDDSLUKYWOM-YTZAWJCFSA-N 496.605 0.814 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831673482 QRLZOJHLDYQRJP-MSOLQXFVSA-N 465.547 0.970 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCN2C(=O)C=CC2=O)CCO3)c1 1832015717 WUWHRPRMHXMWOX-VWLOTQADSA-N 480.521 0.262 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832541984 BRVWXALRIGZIDB-WAIKUNEKSA-N 475.567 0.838 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)cc1 1832873793 VFORDALCZZXSAP-RUZDIDTESA-N 479.537 0.705 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833787459 GOONTIWHIKMEQU-JOCHJYFZSA-N 462.934 0.899 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)c3ncn(C)n3)CC2)CC1 1834092220 STSOVRYXIBQFBR-LJQANCHMSA-N 487.605 0.917 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1835358632 HPHVPDYTOSAXDY-RUZDIDTESA-N 496.564 0.842 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1835753288 HJIYKHIROXBOPL-UHFFFAOYSA-N 455.559 0.654 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835976169 KWKFRBNGIQIYKU-JOCHJYFZSA-N 473.917 0.944 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836397761 WGHOTRWZDGXRKZ-QFIPXVFZSA-N 457.487 0.309 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)ccc1F 1836419157 VPMCDOCJMUDLLV-HSZRJFAPSA-N 470.457 0.816 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1837398622 GJXRDNBBXMTWAH-UUOWRZLLSA-N 472.542 0.922 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1837443460 BNCLJIROFIURKY-JTLGAQIJSA-N 485.541 0.649 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1837443719 PDKYPEWAAVPRCQ-SFFGGSCWSA-N 472.542 1.000 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Nc2cnccn2)CCO3)c(C#N)c1 1837483086 JMFFBVDTJKDWDL-CJAUYULYSA-N 494.552 0.856 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C1)CCC2 1837492389 HFLALPVQDUQZBJ-RUZDIDTESA-N 470.570 0.677 30 20 JCED Cc1ncc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)s1 1837533636 YFNYOPGENNOTAO-LEAYQFNCSA-N 466.560 0.979 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837637479 PQJLCWFNOKONHQ-DGQXCUQSSA-N 487.557 0.190 30 20 JCED COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)Cn4cnnn4)CC3)CC2)c(C#N)c1 1837967891 ALXNINCKZYGPOQ-UHFFFAOYSA-N 467.530 0.795 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838257651 MJDTYLKRSFWGJL-RXPUKQNLSA-N 467.910 0.729 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838341371 SHOZKLKQEUSVTE-YADARESESA-N 488.541 0.307 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838686635 BVCOQQZNTAVBOJ-FDDCHVKYSA-N 475.546 0.705 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C4\C(=O)Nc5ccccc54)C3)C2)c1 1838737153 KMCGOIHSLSUKHT-LZTPGYMKSA-N 461.478 0.992 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1839190933 LWTTYDBZFUNDBX-DVECYGJZSA-N 498.540 0.746 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)cc1 1839361515 PIVVIUUYVLJTBF-XMMPIXPASA-N 463.494 0.630 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)COc5ccc(O)nn5)CCO4)C3)c2c1 1839670332 CNDFLGUUNWYJKR-QHCPKHFHSA-N 493.480 0.079 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)=NO2)C1 1840002638 BMXLLCDMWMKZCB-GOTSBHOMSA-N 491.545 0.512 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(Br)cc34)C2)C1 1840041882 MSPDPAFBVCMPRT-HXUWFJFHSA-N 491.298 0.483 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044235 RNHNSEQXEMFLCJ-HXOBKFHXSA-N 479.530 0.224 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)c1 1840181178 SBKCTRIGJFLMNV-XZOQPEGZSA-N 459.499 0.553 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840434637 DCTIFKCABCHLKW-DVECYGJZSA-N 467.526 0.926 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840450267 YRHXEBCOCOZYBJ-MBSDFSHPSA-N 490.561 0.041 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCO2 1840771347 QZDZSSCGGUTQMQ-HSZRJFAPSA-N 452.467 0.490 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840830766 CCDBIAQEXURQBM-FDDCHVKYSA-N 465.547 0.891 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2)C1 1840840650 ZAAMAHFJHKXEHN-HFJQGTKSSA-N 467.563 0.784 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880630 BRNOKKUOQXOHQG-RIIXHCOCSA-N 476.526 0.846 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=C/OC)C2)C1 1840909086 MJUPFDZDVABKQO-LYQODANLSA-N 465.547 0.910 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C2 1841601682 YAKLKNPUEJAXGE-QYZOEREBSA-N 476.574 0.600 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(=O)N(C)C)C1 1842836931 MZMFJKSBEMGIDJ-OAHLLOKOSA-N 481.550 0.084 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cc(C)c(O)nc2=O)C1 1846969377 KLCGXCPMCUTNOL-MRXNPFEDSA-N 473.530 0.377 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COc1ccc(O)nn1)C2 1847070975 NPXGPQHMDDUIPX-HNNXBMFYSA-N 459.503 0.681 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)S(=O)(=O)c1ccc(C#N)cc1 25348771 AUBGMZBSAAPBDG-UHFFFAOYSA-N 498.533 0.990 30 20 JCED N#Cc1ccc(CN2CCN(C(=O)Cn3c(=O)oc4cc(S(N)(=O)=O)ccc43)CC2)cc1 490644978 BLTVUKWQGILBIW-UHFFFAOYSA-N 455.496 0.458 30 20 JCED Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2)cn1C 501369162 FJZOESJQQOPDCZ-UHFFFAOYSA-N 457.560 0.745 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C1CCN(C)CC1 556479825 FDAUBAVNPAHACP-UHFFFAOYSA-N 480.512 0.859 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2OCC)c1=O 603792719 JPYZSRLSCGZFGD-UHFFFAOYSA-N 468.579 0.446 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCOC 729671264 FINUDNXRFHOTPG-UHFFFAOYSA-N 471.579 0.925 30 20 JCED CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCC[C@@H](C(N)=O)C1 913173867 RFAVGECXWWVNAK-CRAIPNDOSA-N 450.517 0.128 30 20 JCED NS(=O)(=O)c1ccc(C(=O)COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 918819601 XNKFQZGEXWNLDN-UHFFFAOYSA-N 465.509 0.579 30 20 JCED CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302316457 SVISHGKPQUBRRA-WBVHZDCISA-N 484.648 0.570 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)C(=O)C1 1507779220 LSBFVPKWHGBYQC-LBPRGKRZSA-N 465.374 0.092 30 20 JCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1555807469 WNBOCLCQYISUHF-UHFFFAOYSA-N 452.562 0.333 30 20 JCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1614028900 SSKDKMIZUCEETN-IAGOWNOFSA-N 453.551 0.712 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cn[nH]c2)CC1 1696595163 YTHGMIIHOGXVQP-UHFFFAOYSA-N 463.546 0.905 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1723961136 VUFJVYGTNROHFN-DFQSSKMNSA-N 489.602 0.518 30 20 JCED COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1769860616 MPTBOZIXONNWQY-HXUWFJFHSA-N 489.602 0.451 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(CO)on1)C2 1779424171 WWPLXUFGCMHRCL-FSKCDILFSA-N 450.492 0.823 30 20 JCED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)CCC1 1783127227 AWPVAZXWDFBHBU-VGOFRKELSA-N 457.487 0.964 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CSCSC3)C[C@@H]21 1783531078 AZYWVYMEZNBHDE-YHIPHSQJSA-N 468.645 0.868 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CN(C(=O)OCc3ccccc3)C1)CCO2 1783566330 UFXKZPUCNHVUCA-HSZRJFAPSA-N 455.467 0.173 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783925021 YPJAGHJQBTXSCX-KSFYIVLOSA-N 467.567 0.734 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1783927574 AOAFHQUQGQITAG-FGZHOGPDSA-N 455.471 0.494 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784478947 PZEKHFXOWUBLIP-BTWZCHHXSA-N 458.515 0.011 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc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c3ccccc3[C@@H]1O)C2 1792484545 KNDYYQYIIGRFEE-WYQFUVIFSA-N 453.539 0.730 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1793597100 BZQWSLLFQWRSEG-YVSFHVDLSA-N 485.545 0.797 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C)NC(=O)OC(C)(C)C 1794232203 VAAVRBIRKHQNLM-RCJHGTSTSA-N 462.551 0.878 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795289808 NIXIVKYZLUEBJF-BGGZRJPJSA-N 462.547 0.324 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOC 1795357539 YTLIZINXVPSSEK-ZMMAXQRCSA-N 453.536 0.156 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795416454 UCIRWXJPLUBGBY-MRGJAMOZSA-N 464.563 0.888 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796307765 RIFLJWLNIYIZGH-HPNQWNLUSA-N 455.540 0.553 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOC1=O 1797170093 DVWUCMMFLWAZGK-ZMMAXQRCSA-N 478.546 0.335 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O)c1ccc(O)cc1 1797972398 ZGYUXXRDEXFKEK-CCWIQGQESA-N 471.554 0.630 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2)NC(=O)OC(C)(C)C 1801931112 GFUPASJRBZPKSD-QRXRQMIZSA-N 481.594 0.028 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)[C@@H]1c1cccnc1 1802480112 ASHGXFXZUXUNBE-LURSZIKSSA-N 486.525 0.441 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803246615 MNOZWYDSXOCWIM-DJPFJPOOSA-N 484.509 0.754 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804198114 MOOQGBUWSFFBEX-YFVAEKQCSA-N 479.603 0.619 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807623576 KUJDYYDXKGVCJP-WSTZPKSXSA-N 482.545 0.691 30 20 JCED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1811797277 WQIRJPBTWUMMSV-FYYLOGMGSA-N 451.527 0.559 30 20 JCED O=C(CN1C(=O)CNC1=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1815597032 MVQIXQFOHDCXFF-INIZCTEOSA-N 456.503 0.652 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1815797093 FLGLOIAVNNKZLA-GOEBONIOSA-N 498.544 0.440 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1828514399 OLUIQSOENHUGGK-CLOONOSVSA-N 498.584 0.581 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1829762406 JRQDTVVCAYEVNX-XBKFQHLESA-N 459.499 0.086 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc([N+](=O)[O-])c3C)C2)C1 1829771152 IUNAPONTYCLYQE-FUMRIQNTSA-N 490.488 0.971 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(O)cn4)C3)C2)cc1 1829907827 RFYLNKAVBWDFQU-XMMPIXPASA-N 450.495 0.900 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1830838994 YKTIIHNIWSKJQQ-HJPURHCSSA-N 475.567 0.376 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1830886318 DMJXVBLJSHMSEL-QHCPKHFHSA-N 498.577 0.304 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1831405425 ALHQQBKUTSQSSI-HXUWFJFHSA-N 451.480 0.231 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1831997715 FLCGFBBGBHFQQB-NTKDMRAZSA-N 491.589 0.888 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1832000802 XKOAGPDEUAMMJK-MBSDFSHPSA-N 492.577 0.594 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1832068684 HFLHDIZKJUSGBE-AXHZCLLHSA-N 478.590 0.454 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832872437 BBUKKTQSYWTXPH-RXVVDRJESA-N 452.577 0.545 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)CC3)CC2)cc1 1833106714 PPWASUSLZFZGRH-UHFFFAOYSA-N 488.552 0.717 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833235813 UKEHMTVZWGVWEU-HXOBKFHXSA-N 492.577 0.745 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C(C)(C)C)n1)CCO2 1833582498 HJCLRNJVDFZECA-KSEXMQBYSA-N 459.547 0.567 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C2)C1 1834768568 DHXCYYQWVZEJFA-FQEVSTJZSA-N 484.962 0.378 30 20 JCED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116867 JKZBBSJJQHIETP-UHFFFAOYSA-N 453.609 0.533 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1 1835717796 LZLGENSBVDOTOF-FQEVSTJZSA-N 489.573 0.901 30 20 JCED Cc1cc(C(N)=O)cc(C)c1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835728690 COHHWRFTIOMVJS-UHFFFAOYSA-N 454.527 0.676 30 20 JCED CCn1c(-n2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)cc2C)cccc1=O 1836259956 NCFCEHVIDTWHLA-QHCPKHFHSA-N 468.514 0.346 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1)c1ccccc1 1837613080 VHCJDWCMJKFMTB-REWPJTCUSA-N 462.568 0.685 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)Nc4cccnc4)CCO3)C2)c1 1837630255 MFOWMRKNYIDLSR-DEOSSOPVSA-N 479.493 0.671 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837674340 FIDPYCBWKNIBEY-YGLOEYOESA-N 468.551 0.277 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838120103 JCUNPPZSIKYAOE-DEOSSOPVSA-N 483.525 0.847 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c1Cl 1838595895 IREHEZLCBOUDCP-IBGZPJMESA-N 451.936 0.908 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)c5ccccc5C4=O)C3)C2)c1 1838732651 XYSDZUMZQUVROH-VWLOTQADSA-N 491.504 0.643 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn(C(F)F)c4=O)C3)C2)c1 1838737992 JMWVOGRCXUQKLR-NRFANRHFSA-N 461.425 0.827 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1)c1ccc(F)cc1 1839038326 CJXDPVHUEFSONK-DHUIEDIVSA-N 453.536 0.778 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839081901 WJWRVHCAIAIYMQ-SVMVAKDDSA-N 451.589 0.763 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1839173686 FZBVPGFQIUVIQR-JOCHJYFZSA-N 457.487 0.309 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1 1839184719 AFGUALRKQRVFBX-VGOFRKELSA-N 455.552 0.949 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839229128 ZRHGCMDIDKXQOI-KUHUBIRLSA-N 472.589 0.104 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)cc1 1839363723 RIMWBGXTYNNRGI-XMMPIXPASA-N 465.510 0.951 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)c1 1839421135 XSXJPSPSLVMQHB-HSZRJFAPSA-N 467.457 0.801 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839692177 HBZYIXYLTOQXHK-OFNKIYASSA-N 462.616 0.794 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1839887712 NFMDVFCEZXAFSV-SFHVURJKSA-N 465.519 0.080 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]3OCC[C@@H]3N(C(=O)OC(C)(C)C)C1)CCO2 1840036228 OUYVCEAXKZBHMA-LYXWCMDISA-N 477.558 0.491 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCCC4)c(F)c3)C2)C1 1840043059 FYNNNKVPAKKHTM-HSZRJFAPSA-N 459.474 0.584 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840071741 GWKCQEFAYUZSJK-JJEOQYAHSA-N 480.562 0.507 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1840346246 MGFHLVQDZWFZHY-QHCPKHFHSA-N 460.579 0.628 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840802239 ZLZCQXGRUKDNIQ-GAJHUEQPSA-N 469.579 0.931 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1841602923 AXOJRLTYBRHSDN-CVEARBPZSA-N 451.520 0.685 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cnnn2C)C1 1842134968 KQAFWWOBOYWHMU-HNNXBMFYSA-N 491.549 0.438 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COCCO)C2 1846366033 MJASGCRSXZUKJI-INIZCTEOSA-N 484.550 0.004 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3ccccn3)CC2)CC1 509932952 YHSSOYMYTXRPIO-UHFFFAOYSA-N 454.556 0.608 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)cc1 510193362 QGFUWORYQVYKON-UHFFFAOYSA-N 479.603 0.444 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C 604472846 IYXRYYQNJSVMPD-UHFFFAOYSA-N 496.511 0.968 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828417 SMRUSTQNMDBSFF-INIZCTEOSA-N 476.558 0.961 30 20 JCED CCS(=O)(=O)N(C)CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 726401704 RJDMHDJXEMJMTA-HNNXBMFYSA-N 469.589 0.525 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1298937783 PWWCBROMDYBMRQ-OAHLLOKOSA-N 453.569 0.123 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1547781391 OUEURZVQCCIUKO-SFHVURJKSA-N 457.560 0.861 30 20 JCED CCN1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1615895856 UMQPCRXTTKCYFH-OALUTQOASA-N 482.655 0.234 30 20 JCED N#Cc1c(Br)cccc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1621623394 LVUIOWPQWFFORT-UHFFFAOYSA-N 457.350 0.486 30 20 JCED N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCCS2(=O)=O)CCO1 1712883201 MAPGNOWHYNIAGD-ZDUSSCGKSA-N 470.353 0.800 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(-c4ccccn4)n3CC(=O)NCC(F)F)CC2)c1C#N 1725868254 MGIMXSRIYRQGSV-UHFFFAOYSA-N 470.488 0.962 30 20 JCED CC(=O)N1CCC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CC1 1741023576 UHPLTNDLYWZTJX-HXUWFJFHSA-N 493.634 1.000 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1767844268 MFQZUULKJMVKDR-NRFANRHFSA-N 470.559 0.851 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(C)=O)CC1 1769845648 QPQQELUJBGIBJX-IBGZPJMESA-N 497.622 0.236 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1=O 1778710831 PYJOGDDQQJUMNA-YQSZEYAUSA-N 450.451 0.977 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1778967230 JNWFDPBSWOHWNT-LAUBAEHRSA-N 451.545 0.502 30 20 JCED C[C@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1779500028 VUAKLDYSMKMLCN-ODTABLRLSA-N 462.551 0.957 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c(C#N)c1 1779877330 XMZBVOMVRXHEJE-HSZRJFAPSA-N 464.482 0.142 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)NC(=O)CC3)CCO2 1781267954 CEVVQIJEOVHCDU-HSZRJFAPSA-N 456.499 0.919 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H]3CCCS3(=O)=O)CCO4)c2c1 1782199674 VEDVTFHKUNZVSF-DYESRHJHSA-N 457.512 0.455 30 20 JCED CC(=O)NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1782876517 UWPAZQDTRLZKBZ-PXDATVDWSA-N 483.569 0.835 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3CS(C)(=O)=O)C[C@@H]21 1783529168 FZOIQSXTGBDRNS-ULPAQXSLSA-N 490.582 0.078 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)CCO2 1783895624 YKHUZDMSWVQOTE-CMBDLQSPSA-N 457.593 0.753 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C[C@@H]21 1784484393 VGCVJHJVOCBRQG-ZULIPRJHSA-N 452.511 0.635 30 20 JCED CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784643121 DBOVQTODSOWGHP-ZUKHEZKWSA-N 452.552 0.657 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1785196815 QCSDHMHXQYFIIG-YKSBVNFPSA-N 472.542 0.940 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 1785511147 AYLAHJNCAATLFI-VEYRDVQOSA-N 476.574 0.978 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]3C2)cc1 1786789954 BMAKVGFTWBORKW-FHWLQOOXSA-N 464.459 0.195 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786808169 CIMCUCIZRIQITG-QAETUUGQSA-N 466.583 0.309 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1789904189 HEPRKRULBCLWTN-VMXHOPILSA-N 466.579 0.960 30 20 JCED CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)NC(=O)OC(C)(C)C 1791078115 LEKWHQFRMJVZJN-QAETUUGQSA-N 451.520 0.748 30 20 JCED COC(=O)[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21)NC(=O)OC(C)(C)C 1791195513 ZOAGRGVZSAHSBI-JONQDZQNSA-N 452.508 0.336 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOC4=O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791378095 OHJUEGWVIDAAPM-VJANTYMQSA-N 492.573 0.984 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1ccc(O)cc1 1792497959 AVHUHEDAFJETLN-VAKZPMALSA-N 487.509 0.636 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792562320 OLPROFWMRKDNAX-WEMPKCCASA-N 499.568 0.459 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCOCC1)C2 1793340320 ROKDVEMBZVSSFI-YSTOQKLRSA-N 493.601 0.936 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-])C2 1793346669 ZTAAJCNNHLGMIA-JNNRSPCRSA-N 459.455 0.623 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794107957 DGEACRWCYQYCDK-LVSLPLRBSA-N 450.561 0.537 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1 1794872823 GSBKFWRKLMSHQK-XSDDWTICSA-N 459.547 0.942 30 20 JCED COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)n1 1796596812 BXMQBPSPCCNWDQ-CWPLJXCYSA-N 463.498 0.794 30 20 JCED Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)cnc2s1 1797062946 QZMWBVIHVJTNQS-SCAQPMJSSA-N 472.571 0.550 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1799231962 FDJRLEGRGPJVLN-STEXWYFWSA-N 494.589 0.336 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2 1799322411 JIINEMVSBDGDFX-RCJHGTSTSA-N 452.552 0.701 30 20 JCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(CC#N)cc2)cn2[nH]cnc(=O)c12 1799643630 RDHSKLBYFGQGCA-OPVJXMOQSA-N 460.494 0.914 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](CCN(C)C)(Cc1ccccc1)C(=O)O 1800292525 AXRIMNBXMBMPBR-PVLCVKBISA-N 499.608 0.880 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)[C@H]2C1 1800739836 JSTBETIVFOVYES-RWLNFDPSSA-N 474.558 0.762 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1800987072 FUYGZMYCBWCLGB-NNXHMXCWSA-N 469.604 0.920 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801066643 DVKHZAQADXXNIY-NRUGXNMXSA-N 464.563 0.572 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CS(C)(=O)=O)C3)N(C(=O)OC(C)(C)C)C1 1801101933 MSTSQWMYHIEUAK-OYSTVDSJSA-N 499.630 0.822 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1)c1ccc(O)cc1 1801440493 UYUCILUZHLPHEX-SUQDKLLUSA-N 452.515 0.727 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@@H]2CCN(C(=O)C(O)O)[C@H]2c2cccnc2)CC1 1808161101 RTTFZIRPSAYQQL-ROUUACIJSA-N 487.557 0.939 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cccc(N3CCOCC3)n2)[C@@H]1c1cccnc1 1808695846 LCRANOUKYVFSDE-MBSDFSHPSA-N 463.494 0.721 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810152759 HGKZNEWMIZCSRW-OXJNMPFZSA-N 455.519 0.930 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812872410 CPVIJQACQUMLAQ-MMOPVJDHSA-N 484.509 0.754 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC3CC3)[nH]n2)n(C)c1=O 1815797735 XXMNYMRJNNMTNQ-INIZCTEOSA-N 478.513 0.263 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC3)ccc1F 1822960169 NJQLNACWAPKWCJ-ZDUSSCGKSA-N 470.486 0.860 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCN2C(=O)OCc2ccccc2)C1 1829014194 QAUKWLSCQRYWHO-NTKDMRAZSA-N 495.540 0.164 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829331135 ZUYNRRZFRZVZFS-CJAUYULYSA-N 498.536 0.441 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cc(C)ccc3C)C2)C1 1829764182 GXDLNJNZVPENJV-UTBBOMKLSA-N 471.554 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(Cl)cccn34)C2)C1 1829764990 DSAHMFHCEQXYCM-UZQCKINESA-N 487.944 0.916 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1829766417 XXYARGZCCBDLPP-VRWDYKOXSA-N 465.510 0.558 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)CCO2)C1 1830743303 BHXMAIRCNSDWLE-PNCHPQGNSA-N 467.563 0.642 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1830883481 DTUQDRUEFDPTLC-KSFYIVLOSA-N 466.535 0.022 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)Nc4ccccc4)CC3)C2)C1 1831387697 JEKSQCLYZYHDLS-YADARESESA-N 469.538 0.900 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1831431248 CQUMVDSYOHESIF-QVKFZJNVSA-N 462.528 0.417 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)c3ccccn3)CC2)CC1 1833076133 ZJDAUDTVCHFXAO-FUMRIQNTSA-N 454.575 0.511 30 20 JCED CC#C[C@H](CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1)c1ccc(O)cc1 1835068063 HATWHXZTLOCEOV-XXBNENTESA-N 455.603 0.747 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1 1835399747 LLLVVODRTUWIGY-DVECYGJZSA-N 456.543 0.716 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cnc2c1 1835677090 IEYBSEFIOSTQJR-VWLOTQADSA-N 496.568 0.355 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836027459 LHTQYMZGVSBOFQ-GAJHUEQPSA-N 491.545 0.294 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1)c1ccccc1 1836135913 DZJQEXSOHJCZQP-XUZZJYLKSA-N 451.527 0.932 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836970710 HDMYTVKEZXONHM-XMMPIXPASA-N 472.542 0.434 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837381772 IZGJRNCVCHNQRW-AHQDJFPKSA-N 478.571 0.651 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)ccn1 1837490949 GQCNRRLXGVWVQS-VWLOTQADSA-N 484.553 0.809 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CS[C@@H]3CCCCO3)CCO2)C1 1837506463 PCCDITSPNKDZEJ-DENIHFKCSA-N 468.620 0.984 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838167424 BZIYLJVKACRGRR-OAQYLSRUSA-N 453.442 0.939 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncon4)CCO3)C2)c(C(F)(F)F)n1 1838317540 WPIYDAGQSQHSLJ-SFHVURJKSA-N 466.376 0.739 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c(Cl)c1 1838330545 JKVDEBORQSBPOC-JOCHJYFZSA-N 484.900 0.484 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595886 IHTYNZOUWPWDOE-KKSFZXQISA-N 463.922 0.729 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839207206 NHPNIQQXVDLNNK-KNNTVDRYSA-N 474.352 0.899 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)cc(C(F)(F)F)c1 1839442976 JWTFDIYVSACHOD-UTKZUKDTSA-N 480.443 0.926 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c5c(c(F)c(F)cc5c3=O)OC[C@@H]4C)C2)C1 1839808466 QQYDBINZRDPFCP-BSEYFRJRSA-N 487.459 0.936 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)ccc1OC)CCO2 1840687213 BGZSVBZFMQDKPC-KSEXMQBYSA-N 461.490 0.763 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(OC)c1F)CCO2 1840792099 UEWVMOZPMYSPBQ-YLNCNTMDSA-N 461.490 0.763 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)COc5ccccc5C#N)CCO4)C3)CC2)CC1 1840820445 PPAZQBRFRRJSMZ-RUZDIDTESA-N 497.596 0.173 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840906700 HOLPBZUPLVLIMH-CYFREDJKSA-N 487.557 0.392 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1 1845223221 AVMZBPMUBXIZOR-INIZCTEOSA-N 453.536 0.975 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)O)C2 1846365932 DZNUTZPYHBWLRK-CABCVRRESA-N 454.524 0.376 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CN2C(=O)C=CC2=O)C3)N(C(=O)OC(C)(C)C)C1 1846450108 YLBZDYPPAUROIV-INIZCTEOSA-N 458.515 0.680 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C)CC1)C2 1847082080 IVIBHYHDHDUTJR-HOYKHHGWSA-N 461.607 0.907 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NS(=O)(=O)CC 1847785247 XAYSXLROWDKCNQ-QAETUUGQSA-N 472.608 0.985 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 26075950 LEMKXOGCHGOXPI-UHFFFAOYSA-N 480.524 0.752 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 28636106 MSMVOXXDZGIRLP-UHFFFAOYSA-N 471.564 0.626 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Br)ccc3OC)c(=O)n2C)CC1 489170100 JUADNAWNHXUPJC-UHFFFAOYSA-N 491.411 0.885 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 495216112 AOHQGACKUNZDRC-UHFFFAOYSA-N 464.525 0.904 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCOCC 523088249 HSYGEXNGBARUAM-UHFFFAOYSA-N 468.514 0.471 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1-c1ccc(C(N)=O)cc1 523256167 WPGJXCCIXLWVJF-UHFFFAOYSA-N 480.521 0.711 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O 524281915 GVVGJSFMESFIOX-UHFFFAOYSA-N 452.414 0.099 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccccc2F)c1=O 608912954 MGQYDONUXVKAAI-UHFFFAOYSA-N 478.571 0.160 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)C1=O 726042228 GPAJGZRRRNZQGP-UHFFFAOYSA-N 462.503 0.194 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NC(=O)N[C@H](C)COC 730029189 NZEYIRUDBBPHQL-JLCFBVMHSA-N 458.471 0.555 30 20 JCED NC(=O)c1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2CC(=O)NC2CC2)cc1 730726221 YWMMXZALGHBJSH-HNNXBMFYSA-N 467.511 0.814 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)Cn1nnc2ccccc2c1=O 744993233 CBNGSHZRVKZTKG-UHFFFAOYSA-N 474.433 0.715 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)cc1F 838691869 YVQTUJFSUVWBSV-UHFFFAOYSA-N 473.505 0.957 30 20 JCED CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918420772 UXCLJHQOCXEKLK-OQKWZONESA-N 464.548 0.264 30 20 JCED CS(=O)(=O)N=S1(=O)CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1141411144 POQILPGVYPROJG-UHFFFAOYSA-N 450.336 0.969 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1297778727 NQUPECILRNZBEA-UHFFFAOYSA-N 467.559 0.873 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 1508274588 QCLVSFJOKGEPAC-LJQANCHMSA-N 494.600 0.950 30 20 JCED CC(=O)N1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1508279506 RGZKKDNYKSVAHD-OAQYLSRUSA-N 485.614 0.852 30 20 JCED CC(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1509734448 YMXBHWADFPVZFL-GOSISDBHSA-N 486.602 0.688 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1611663983 VKPHDULOPRPSSX-MRXNPFEDSA-N 475.575 0.645 30 20 JCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2)c1C#N 1668620511 KBVUVBNCYMCSTN-UHFFFAOYSA-N 452.562 0.361 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCOCC1 1692538676 LQFYWNBYMFVIIJ-UHFFFAOYSA-N 467.578 0.732 30 20 JCED Cc1cc(C)n(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)n1 1707840080 XIULYOOUFJAIKU-MJGOQNOKSA-N 475.623 0.969 30 20 JCED CO[C@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCOC1 1711618601 OVFAGSOPMFALJO-QFIPXVFZSA-N 454.535 0.815 30 20 JCED COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c(F)c1 1711855295 VXFWZJHMAJXCSX-WMZOPIPTSA-N 480.522 0.536 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS(=O)(=O)C1 1751096358 QCNQWNHIZXVNSJ-BZUAXINKSA-N 474.609 0.174 30 20 JCED CNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769088763 DBEDEEJYCUMHIR-MRXNPFEDSA-N 451.535 0.874 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2)[C@@H]1SC(=N)NC1=O 1778080520 JYENCBLEDHPIGB-CJKQYIFKSA-N 478.619 0.585 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1778957383 QUJMNCKEYXKPEY-MWTRTKDXSA-N 457.531 0.647 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)Cc2ccc(F)c(C#N)c2)CCO3)no1 1779123750 USQDEDBVKIPYQQ-QHCPKHFHSA-N 469.473 0.796 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780597505 VUDADPIRQHAQLJ-YYVLHXKZSA-N 480.606 0.693 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccnc(OC)c3)C[C@@H]21 1783529522 PREJSQNCKKKFRU-YJTGKBQXSA-N 456.543 0.861 30 20 JCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C2)C1 1783723725 DUFXSAOJPJQQMQ-LJQANCHMSA-N 454.936 0.752 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1)c1ccc(O)cc1 1784014984 UJGBBKJAJMIYGW-WVMBUTMQSA-N 468.510 0.317 30 20 JCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1784540175 IEOWRCIHIPMMKY-IQWQSGHPSA-N 486.635 0.689 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1784784478 BQLIOAVFSKCBSR-TUFLPTIASA-N 493.649 0.683 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1784785075 VPCWPUKZQYKWRM-TXTZMMAHSA-N 464.563 0.572 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380498 UJGJFEIOQHMYTK-REWPJTCUSA-N 473.482 0.262 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785669924 RVTPPFTXTZRQFH-XMMPIXPASA-N 476.574 0.699 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787513610 MEQXLMXNLUCYAG-LNRGDDFVSA-N 499.593 0.937 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1cc2n(n1)CCCNC2=O 1788255913 BJLPWNHPVSXRNV-WFXMLNOXSA-N 483.569 0.309 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(I)c(O)cc3O)C[C@@H]21 1790793832 LPBZPTZNJVRLSS-PKWAYOAASA-N 470.263 0.929 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(N)=O)[C@H]3C2)ccc1Br 1792285075 MFTXNXLOQGBFNV-NOLJZWGESA-N 464.320 0.582 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1792452613 WZOXKLKUYUCUFR-DAUOMPHXSA-N 481.590 0.785 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccccc2)C1 1795277817 NCQIZCWZRKECCD-HVJVJISESA-N 483.565 0.856 30 20 JCED COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)cn1 1796563417 XEPVMFFCJNZFTM-RMFSNUHRSA-N 455.511 0.770 30 20 JCED COc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cc1F 1797808794 QZEFTAXFHIYIKQ-LGNMFEQTSA-N 450.467 0.962 30 20 JCED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCN(C(C)=O)CC2)c(C#N)c1 1797933321 YMONHGQMYLICNR-KOUNCHBCSA-N 467.570 0.912 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1799200388 VETVYJWOSJRNIR-CTRAYCPCSA-N 473.530 0.317 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)c1 1799801513 ZGJMRZSBPTYWPI-RMFSNUHRSA-N 465.466 0.840 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSCC(=O)O)C3)N(C(=O)OC(C)(C)C)C1 1801103161 FROYDJLGDVFDPL-RCJHGTSTSA-N 483.587 0.959 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)n2cnnn2)cc1C#N 1801441611 WVUNUJWVANJRRQ-XUMLPFHTSA-N 453.503 0.796 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801736352 SGNOLPKGCBPXFC-BERAWNTRSA-N 480.606 0.381 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802084448 JBPAILOKCINCOP-UYTYNIKBSA-N 481.546 0.071 30 20 JCED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1802631033 BQRKDBIWSSENLG-XCDZQEORSA-N 460.600 0.998 30 20 JCED C#CCCCC(=O)N1CC[C@@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1804389976 LYXPPYUOYQKYRH-GHTZIAJQSA-N 491.552 0.338 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@H](N)C(N)=O)C2 1804405722 PJOZKVZYODXPCL-APFOCMHESA-N 463.579 0.687 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810333636 MSXLMXGYYMOQKI-XMSQKQJNSA-N 476.537 0.989 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)cc1 1814173300 IMPABSWPIIFAFX-CYBMUJFWSA-N 461.521 0.925 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814813319 GUWRQZOPHDMDGQ-KGLIPLIRSA-N 456.528 0.599 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CNC(=O)c3ccco3)sc2C1 1815645605 RUEJWGOHKLTNKI-MEJMFZKBSA-N 457.512 0.937 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)NC(=O)OCC)CC1 1823746724 KIQBVMZAZRERGZ-WIIIZXMTSA-N 450.536 0.529 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCN2C(=O)OCc1ccccc1 1829243468 AJBLEELRHKCEAB-DEOSSOPVSA-N 478.509 0.609 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1829346749 ZTSQKUSBRCYSQL-TXBYWVTISA-N 474.583 0.893 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(C)(C)C)cn3)C2)C1 1829766096 LLTHZNGCTYSXNC-WNWNSBFKSA-N 471.558 0.703 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1830300826 REROUILWWHESED-WCBBMBKJSA-N 498.577 0.885 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1830461500 MKAWOJKMKHJLJV-HFZDXXHNSA-N 483.613 0.583 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831142932 IRDMJNFLLJVTER-CYFREDJKSA-N 459.543 0.806 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@@H](C(=O)OC)C3)C2)C1 1831401365 AROMPPCUDFQRPM-FZONSQQESA-N 450.532 0.461 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1831403003 VEIUUMQZZMRYTJ-JPYJTQIMSA-N 465.547 0.350 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1831998663 QHSURBMOLHFGIH-UZUQRXQVSA-N 483.562 0.865 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)CCO3)C1 1833024794 XRZJQPQDSYLRCW-IQMFZBJNSA-N 458.515 0.415 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CC2)CC1 1833350513 YKGFCBJKMRGZKP-WIYYLYMNSA-N 494.633 0.872 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c(C#N)c1 1834674665 QEMJOXDXIJRCTC-QFIPXVFZSA-N 484.601 0.274 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348055 NJASRIKKSHMYTK-WAIKUNEKSA-N 494.545 0.203 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CC1 1835405310 VAZAVSWHEDWHGU-VWLOTQADSA-N 469.586 0.460 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1835767704 MQTTZJSSMHQSAF-OEBVFIGYSA-N 476.534 0.602 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(=O)n5[nH]cnc5n4)CCO3)C2)c(Cl)c1 1835925276 ANGFSGQBQQGLQJ-QFIPXVFZSA-N 497.899 0.326 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1836214596 RRRUMJYPLBAGLN-MBSDFSHPSA-N 490.561 0.300 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(CCOC)n3)CCO2)C1 1836551064 COIQSUSBNXLUFX-XMSQKQJNSA-N 450.536 0.173 30 20 JCED N#CCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CC2)CC1 1837340868 LXALMINZHDSKGF-UHFFFAOYSA-N 468.558 0.934 30 20 JCED O=C(NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1cccs1 1837525329 ULLWFHVDQLCIFC-ROZQTZPBSA-N 494.570 0.463 30 20 JCED COc1cccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837525352 UYCDSRAYMIQKLR-GOPWYIOASA-N 476.530 0.618 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837770675 JCDOEIRKKMVJMB-AOMKIAJQSA-N 469.485 0.887 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1838048122 QHCQHCDZOLZPOP-POUSAUBHSA-N 480.525 0.400 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1)n1cnnn1 1838600165 UGGCMCRAOSGFJT-XOBRGWDASA-N 459.894 0.529 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)ccc1F 1839186626 GEZZQEMXYDRVOP-QFIPXVFZSA-N 455.446 0.506 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839189663 XXDJJYFCTIKKBJ-OAQYLSRUSA-N 467.519 0.131 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c(Cl)c1 1839422967 UXEKVUHTHFQDDM-AOMKIAJQSA-N 460.918 0.808 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485912 BZLCIJLNFVYKBI-HJPURHCSSA-N 451.483 0.543 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488583 ZSJCBMNGVOJLOM-GYCJOSAFSA-N 482.541 0.809 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839872804 MCQXMQYMEOGJKY-XFAGBWLFSA-N 494.589 0.438 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039622 AQYXPUIDSIGVMT-GAJHUEQPSA-N 479.530 0.320 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccc(Cl)cc3F)C2)C1 1840041821 JPWOZRCMIJNUAT-JOCHJYFZSA-N 490.875 0.823 30 20 JCED Cc1cc(Br)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043858 XZJOOMLLCQLSTC-FQEVSTJZSA-N 465.300 0.916 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1840368393 NXCUODAEXFUJGM-HFSPCEDCSA-N 450.492 0.511 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840463488 LRSXSKCLDUMJFW-NTKDMRAZSA-N 491.589 0.888 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1840715137 RQOBPDJDWKNICX-MWTRTKDXSA-N 451.483 0.781 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)CCC(N)=O)C3)C2)cc1C#N 1840763351 XZEQOYJNJVUSNK-CYFREDJKSA-N 487.557 0.008 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1840908084 ADLKPYRUBZGUOR-IMWIBFENSA-N 489.573 0.817 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842884858 XWVPCDIIRJWNHQ-SFHVURJKSA-N 483.573 0.681 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)nnc12 106185724 AEDCOHYKGUEMQW-CQSZACIVSA-N 476.584 0.863 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480178125 DJKMBIPNMKNPIN-UHFFFAOYSA-N 468.579 0.758 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 498584042 NIEBVNSQTXWRPH-UHFFFAOYSA-N 488.551 0.246 30 20 JCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 514417131 MMKCRESVMJDXBT-MRXNPFEDSA-N 485.522 0.802 30 20 JCED Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NCC#N 521751811 IZGZXZQVAAHODP-SJORKVTESA-N 455.558 0.605 30 20 JCED COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 524281293 PKHYATXBFGIQST-UHFFFAOYSA-N 464.459 0.698 30 20 JCED Cc1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 608828155 IBYSBCOUAHIRHT-UHFFFAOYSA-N 453.549 0.791 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C 742534774 HEQBBGIJAOHERQ-UHFFFAOYSA-N 494.495 0.744 30 20 JCED N#Cc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 746553944 HYEHRLFQNFUCIY-UHFFFAOYSA-N 459.480 0.857 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c1 875244540 ZOKLXBGCRLZKTN-NRFANRHFSA-N 453.411 0.014 30 20 JCED C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)c1 917921178 OJHFBDJLYYIUHJ-JOCHJYFZSA-N 470.507 0.990 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 1136596756 SPXLUJJSBJXRLU-INIZCTEOSA-N 457.556 0.833 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCO1 1301903359 XQMKFRCEFJVCBK-LJQANCHMSA-N 473.559 0.194 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ccccc2)C1 1302484396 OTGIINDOIAILJH-QZTJIDSGSA-N 462.532 0.419 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314558872 NPIXEJCFMBHGAN-UHFFFAOYSA-N 467.559 0.873 30 20 JCED CNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)c1 1554415586 TVBKRWGMUOOJNJ-SFHVURJKSA-N 460.560 0.955 30 20 JCED CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1618994370 HBDPHTOOCBVQPA-GUDVDZBRSA-N 481.623 0.459 30 20 JCED CS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1731019993 QEWNGTNBYYZMJN-SFHVURJKSA-N 459.576 0.920 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCOCC1 1741804204 YFNCBWGJMLPDER-DLBZAZTESA-N 469.612 0.460 30 20 JCED CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cnc21 1777928589 OKLAOKONHLYOIG-XMMPIXPASA-N 484.509 0.911 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063111 PELONGXXZJFBKQ-UUOWRZLLSA-N 479.574 0.401 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1)c1ccccc1 1779190428 HFYDYJOGEOPJRJ-CYFREDJKSA-N 455.511 0.557 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779428517 MOBNFVOIPJSEJV-NWXRHAQCSA-N 469.535 0.645 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CCc2ncccc2-3)C1 1780026400 QOBPBWKCKVEANF-HOYKHHGWSA-N 463.494 0.786 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3c(I)ccnc3OC)C2)C1 1780363504 GXIZFGSSIDMDIK-KRWDZBQOSA-N 455.252 0.772 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781173767 WWXZOXFUZJAKOX-HJPURHCSSA-N 457.531 0.647 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2C)CCO3)c(C#N)c1 1781173863 FVOSGAPQNDMVLN-XMMPIXPASA-N 450.495 0.952 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)C1 1781395663 RNVJXJCSQIHOTD-GAJHUEQPSA-N 457.531 0.971 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195594 XTYKVGWREIKFLI-OAQYLSRUSA-N 455.544 0.362 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4cc(C(F)(F)F)ccn34)C2)C1 1782545654 XMTJBULWRAAHNP-IBGZPJMESA-N 450.373 0.885 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783152009 WDUVJGNVHGFSAX-URZJWIJPSA-N 450.536 0.422 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783959155 ATRBEDMNXYQWHY-QVKFZJNVSA-N 469.560 0.551 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21 1784442306 CICSLJYYSAALPI-QHERXFFYSA-N 478.571 0.488 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1785305735 CCXMEMXIMABQAR-SAHWJRBASA-N 464.563 0.954 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785331412 XJSICEJZMAUWIQ-BTWZCHHXSA-N 475.546 0.773 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1785577359 NRYISABYIWZRPU-SAHWJRBASA-N 479.578 0.441 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(C#N)c[nH]5)C[C@@H]43)ccc21 1787961679 JDXBKSJBBOHNEJ-FIKGOQFSSA-N 462.510 0.984 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1788639276 LPQOOGBFUSNUJE-CMOCDZPBSA-N 471.510 0.841 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791284029 XYLKTQUSGWKMIV-RJSQYFKISA-N 455.508 0.111 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(N)=O)[C@H]3C2)c(C(F)(F)F)n1 1792282001 MZLRZLRIALHWSC-BPNCWPANSA-N 454.409 0.234 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c1 1792832331 AFJIJTCNFANRTO-JHDGKUDLSA-N 474.583 0.506 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795358350 HZBDMFHDODVUSN-IVSAIRAKSA-N 459.565 0.090 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1795599514 OYNBHSJZHLFPCX-XOIINTDNSA-N 473.486 0.809 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1797808391 DJHXFPKWIDCGCT-ZUSSLCPFSA-N 464.544 0.597 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798494047 MLERPYSDHXJIKR-BRDHYNLMSA-N 458.519 0.762 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCS2(=O)=O)c(C(F)(F)F)n1 1800391453 QBOLAORNGUKQHN-VZAMPYOESA-N 486.472 0.752 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1800836460 CGDKUIXUENAXMB-MNWMBMHPSA-N 499.630 0.941 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2)c1ccc(O)cc1 1801056661 NXMLCHZMWOIQSL-FHZCGSGISA-N 456.543 0.926 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1802125223 CEODVMRCQPFCCW-NBMJBFSESA-N 485.541 0.526 30 20 JCED O=C(Cn1ccncc1=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1812343229 SJRJEPJZEODKBC-LRWFOOHYSA-N 451.531 0.816 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812873164 KGWJFYFCMHDEHZ-DBXWQHBBSA-N 486.525 0.811 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)C1 1818610421 SLDKDBHZQSNQKZ-YDHLFZDLSA-N 492.554 0.761 30 20 JCED CN[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1)C(=O)O 1819452177 FYQOPOBMGBBKDX-HMVFOQEQSA-N 450.496 0.994 30 20 JCED Cc1nn[nH]c1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332200 CNWJAAIDLYFGTP-QHCPKHFHSA-N 480.481 0.267 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1829348525 YMKGOYCFWFFHAD-XMMPIXPASA-N 479.541 0.929 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CNC(=N)N)C3)C2)CCC1 1829452542 YMWNNUBVCIOVFE-XMMPIXPASA-N 481.557 0.615 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1829762378 INQPUWRJZLQWEZ-POUSAUBHSA-N 467.526 0.192 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1829766261 OSGSBEBZDXVZCV-XBKFQHLESA-N 457.531 0.217 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(OC)c3)C2)C1 1829769280 QNZAWYCIEUNDOK-IBLIISRWSA-N 473.526 0.632 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830971844 QWWUBEWVEKVIQG-YADARESESA-N 487.557 0.392 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831192265 CKTUJXRBFJXYCI-HXOBKFHXSA-N 458.515 0.308 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1831394129 WXTMSQXTBURNSU-LHSJRXKWSA-N 461.906 0.720 30 20 JCED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1831850151 DNSUJGQAULNHHY-LJQANCHMSA-N 482.585 0.857 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO3)c(C#N)c1 1832162257 LAOVMNCSIDZRAI-NHCUHLMSSA-N 485.459 0.879 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832498651 GYXXBECOTRAFIZ-YKSBVNFPSA-N 474.510 0.792 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(OC)nn2C)CCO3)c1 1833447511 KZLORXVXQAMMRC-QHCPKHFHSA-N 469.498 0.693 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833537791 IMDVSXDHSFCMEI-BTYIYWSLSA-N 479.559 0.525 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2)NC(=O)OC(C)(C)C 1833886620 ZNYVZAQGBACDFS-UZUQRXQVSA-N 492.577 0.745 30 20 JCED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(=O)OC(C)(C)C 1835211802 ZFGVJPGJBUHMEV-QWPYIFRSSA-N 498.577 0.839 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)COCc3ccccc3)CCO2)C1 1835367319 JQDZKYNAPCRAIV-DEOSSOPVSA-N 458.559 0.941 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c1 1835542073 ZKYVGFNUDQBKKP-IIBYNOLFSA-N 480.458 0.108 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccco1 1836128630 VUERZNWYROOMNT-NYNQOQISSA-N 458.471 0.178 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1)c1ccccc1 1836210914 VJFHFKXZSRLREW-URXFXBBRSA-N 451.527 0.932 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320588 HEBIESTVGVZRIC-UWJYYQICSA-N 497.474 0.957 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)C 1837221188 HROGLQBSDXUOCZ-KHLOOKIASA-N 452.552 0.502 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1837427317 OKALDHFFXIZYPG-UWJYYQICSA-N 451.596 0.602 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1837445973 DEEGSTCSDVMYHC-DHNIJCFSSA-N 460.535 0.043 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837532896 HXZJMXHRJMHXEV-YUTYXFNWSA-N 498.577 0.887 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837563427 XYPMYKZMRXBTAK-XYOUCOMCSA-N 466.538 0.869 30 20 JCED O=C1NCCn2nc(C(=O)N3CCC(OC4CCN(C(=O)C#CC5(O)CCCCC5)CC4)CC3)cc21 1837580981 LJVVODWFBGXAJT-UHFFFAOYSA-N 497.596 0.937 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1)c1ccccc1 1837613606 BLPWIOVPNMGWBD-QPPBQGQZSA-N 451.527 0.932 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)C[C@H]1CO2 1839085856 PRUDSNBLVAHENR-SSKFGXFMSA-N 464.519 0.135 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(C)cn4)C3)C2)c(C#N)c1 1839131310 AZQMHJIKLZPEBC-XMMPIXPASA-N 465.510 0.978 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185511 DSOAGAJGKNZQDA-HJPURHCSSA-N 460.506 0.611 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)cc1 1839652154 RFJVAAVQIZNEJU-QHCPKHFHSA-N 451.483 0.757 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839684687 PZGXZKYILRUVES-OAOKJSIISA-N 451.476 0.717 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839716567 QDCSZFUNLQOJSN-NTKDMRAZSA-N 489.573 0.565 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCNC(C)=O)CCO3)C2)c(C#N)c1 1839885355 RDCZJJVLITZJNM-QHCPKHFHSA-N 458.515 0.092 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)CCO2 1840038182 MIRBJIAMIPROSX-RJYKNLHPSA-N 499.630 0.786 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3C(F)(F)F)C2)C1 1840041592 WDVVBXIJFNJENJ-HXUWFJFHSA-N 454.401 0.792 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1840059248 AFCWOGOXBWHLEC-IEGUWTFLSA-N 465.547 0.227 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1840162265 QWEKDDXYLXFEGN-RNODOKPDSA-N 451.501 0.918 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1840479636 CYGSGBPSULUYJO-GSHUGGBRSA-N 493.565 0.160 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4ON=C(c5ccccc5)O4)C3)C2)CCC1 1840813855 AGPFTOLEYDBLGT-NFBKMPQASA-N 454.483 0.871 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840819778 DXELOFWRYFRBTN-QFIPXVFZSA-N 469.454 0.944 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840941556 RXSWFBLPSXHVNE-NBGIEHNGSA-N 492.617 0.845 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1cccs1 480100296 VOIMQPBKOWWDOT-UHFFFAOYSA-N 481.603 0.366 30 20 JCED Cn1c(N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c(C#N)c(=O)n(C)c1=O 514322599 ZDGDBQROBLNSRG-UHFFFAOYSA-N 468.333 0.229 30 20 JCED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 519000541 MCCNRKCWPCLUTH-UHFFFAOYSA-N 454.549 0.802 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccccc3[N+](=O)[O-])c2=O)cn1 523182607 UBZAZDBTFCURQR-AWEZNQCLSA-N 482.522 0.678 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cccc4c3OCO4)c2=O)cn1 523581397 UUNFLLWZXUYWCF-UHFFFAOYSA-N 481.534 0.500 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(OC)cc3OC)c2=O)cn1 523863778 ARJFZUWYYBFTSN-UHFFFAOYSA-N 483.550 0.398 30 20 JCED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 524676547 ZQWFENDNUBHARW-INIZCTEOSA-N 473.555 0.406 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccccc3[N+](=O)[O-])c2=O)cn1 558750683 NSSBKMRXXOFZSK-UHFFFAOYSA-N 468.495 0.289 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1Cc1ccccc1 603992469 RPNKSGRCQQUKFK-UHFFFAOYSA-N 477.542 0.995 30 20 JCED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)nc1 604197356 XCFNZNHODVKTRR-UHFFFAOYSA-N 457.512 0.742 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 609342391 VYJUXWLIVCEWRU-UHFFFAOYSA-N 451.549 0.768 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 728536292 SIEOCRVJVCDWBH-UHFFFAOYSA-N 452.964 0.632 30 20 JCED CCCCN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 769215934 NSGWSVNHQYRUQW-INIZCTEOSA-N 471.557 0.196 30 20 JCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 825370765 ZYDDIZCQNLEEJJ-UHFFFAOYSA-N 468.470 0.322 30 20 JCED C[C@@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)CC2)C1 919034602 WGMOFPKULBFFIW-QGZVFWFLSA-N 490.582 0.877 30 20 JCED CC(C)CN1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1287741639 IVYAIMWUOLOWBL-SLFFLAALSA-N 495.650 0.708 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(O)CCOCC2)C1 1288977260 LWQLXTDATCXWAX-XLIONFOSSA-N 482.607 0.673 30 20 JCED CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1503286819 ZEPVMSNJTUWXDM-KXSVPLAASA-N 471.591 0.659 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ccc(F)c(F)c2)C1 1505138067 MSQOCDIOPXMMOT-QAPCUYQASA-N 498.512 0.697 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1515558518 NDSIHABURKLEOM-VWLOTQADSA-N 480.617 0.874 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)COC)CC1 1539580709 ZPONFYXJHRFJBD-LBPRGKRZSA-N 479.401 0.528 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1554505712 ZLSQXFIMMRHLPW-HNNXBMFYSA-N 485.492 0.871 30 20 JCED CS(=O)(=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1730992424 UMAPXOUDAPWERD-AWEZNQCLSA-N 464.573 0.966 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1731011201 ZCQNBUYZSWEQDE-HOTGVXAUSA-N 456.594 0.202 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1764696943 IRAHPKMDMAWRSG-LJQANCHMSA-N 455.519 0.548 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc5n(n4)CCNC5=O)CCO3)C2)c1Cl 1780191084 WNXXLJFVNWVKSN-JOCHJYFZSA-N 468.901 0.909 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1780801921 CYSMEGXDDCNYLD-SOIKWTOOSA-N 481.575 0.767 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1781313227 PPGDWMLKLPDSII-WZONZLPQSA-N 473.530 0.356 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1783270349 ZVFYMUJFZYEEQY-UFXZXOMWSA-N 490.601 0.943 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783458259 LAOGHMYBGMGKBS-YADHBBJMSA-N 467.494 0.644 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)C2)C1 1783471618 RRRCZMXOKMJSAO-HSZRJFAPSA-N 461.515 0.551 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1)N1CCN(C)CC1 1783605271 OYEOIDPBSKHDPH-QGQQZZQASA-N 453.587 0.716 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783635378 NLNCFHQQJNPLHI-FKSLSLAPSA-N 476.574 0.409 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)[C@H]2C1 1783844070 GLPRQDOXIOMOHO-DGYLXYOXSA-N 488.585 0.946 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1784501071 FIWACNOHZPLMNA-JKBKZWBZSA-N 485.585 0.592 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)cc1C#N 1785195956 HWUMIIBDCIPWOQ-XMMPIXPASA-N 491.508 0.834 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785245764 QKGWFOAGVUKQSI-IIBYNOLFSA-N 483.612 0.469 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)NC(C)=O)CCO2)C1 1785596321 JSMJDDCKVTYHLH-CBGOGXAZSA-N 464.563 0.810 30 20 JCED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4csc5c4c(=O)n(C)c(=O)n5C)[C@H]3C2)C1 1789702362 INDUIIBYMZAZFI-WBAXXEDZSA-N 486.594 0.787 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1789808582 FHXTXGPOTLHQMZ-MJUPKGCFSA-N 495.617 0.767 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)[C@H]2C1 1789950104 YBCXJVOSITZIMY-JLCRNFDHSA-N 478.590 0.914 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)O4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791377998 FKVYFOBGPVFIQW-ATIWLJMLSA-N 478.546 0.640 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnn3)[C@H]2C1 1791604439 DJZPJDBIUHXTCF-VJANTYMQSA-N 487.557 0.752 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792585913 VLMJUWOUQYUZOW-NRUGXNMXSA-N 462.547 0.019 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792585915 VLMJUWOUQYUZOW-QLCXLMDBSA-N 462.547 0.019 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CCC(N)=O 1795978539 HNTZYVGILWYODH-XCDZQEORSA-N 477.606 0.914 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1ccccc1C(N)=O)NC(=O)OC(C)(C)C 1796294534 SYHURVDVSZOWOQ-SHJAMOMRSA-N 484.553 0.444 30 20 JCED Cn1c(=O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)nc2ccccc21 1796996067 BKTDTRJVHIWIJL-HGKCTWBKSA-N 466.542 0.419 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cc1 1797812168 YVFFAOZLEQYWDD-XCAHKLDHSA-N 493.582 0.751 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798413463 DFMFIIGIRPXEET-XOIINTDNSA-N 458.544 0.241 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1799320866 UFJVBUIMFPOISR-SFNKJDCFSA-N 480.562 0.888 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884020 IVZYSOVGTCBYRD-NTNQKNOYSA-N 452.515 0.943 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O)c1ccccc1 1800260869 MSDMDRJPQXZTSB-JTJHWIPRSA-N 455.511 0.316 30 20 JCED C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C)C2 1800754651 SYOIHXSUZBWPIK-FSIJUFHLSA-N 486.569 0.964 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cnc[nH]1 1801243115 ZNMDVFIWIRSLTQ-WEZCOFHWSA-N 457.531 0.929 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1801285017 GSMLRCOLWIMLIR-WXVOMPCJSA-N 485.566 0.547 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2)NC(=O)OC(C)(C)C 1801931106 GBNVTHPACOJCLA-FSNPWBFUSA-N 481.594 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1cccc(F)c1)NC(C)=O 1802041356 WDLVPQBACIWFSV-HTDHBILISA-N 486.544 0.321 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)c(C(F)(F)F)n1 1808261749 OCGLTLODMPCNQW-JQFCIGGWSA-N 461.448 0.973 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)n[nH]1 1817682352 ADMYFUQCLUAIDR-WBMJQRKESA-N 460.516 0.905 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CC2 1825675743 ZJPIFESGWBEMMG-ZDUSSCGKSA-N 464.459 0.886 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1825716007 WVDKVKFNMOPLNH-SCRDCRAPSA-N 478.527 0.513 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCN2C(=O)OCc1ccccc1 1828572240 SVIUTGMPJSGPJX-HOYKHHGWSA-N 454.527 0.986 30 20 JCED C[C@@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3(C#N)CC3)C2)C1 1829224844 DKZPPYCBTLTAPV-HOYKHHGWSA-N 467.526 0.877 30 20 JCED C[C@@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC#N)C2)C1 1829226695 NJPSOGNXRYWDGT-JPYJTQIMSA-N 455.515 0.877 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1829757079 CXSXUFPAQLPMDA-QVQQHXNLSA-N 451.553 0.122 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1829769378 RZCZKZGDXMFZRE-XBKFQHLESA-N 480.562 0.214 30 20 JCED C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1829807052 GXUIUEABVWAQQM-NTKDMRAZSA-N 472.590 0.730 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)CCO2 1829848148 ZUOPXQUNZHOBGZ-HXOBKFHXSA-N 463.531 0.245 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1 1829959715 JASZSGAHPSLTRY-VWQFJMCTSA-N 454.527 0.910 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830056729 PXEPTLMRTWKECQ-JOCHJYFZSA-N 450.536 0.859 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)c1 1830460825 WMBURJJAOFSNBJ-XMMPIXPASA-N 475.509 0.699 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831192267 CKTUJXRBFJXYCI-SBUREZEXSA-N 458.515 0.308 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1832000526 RNAFPPQWLZLCJO-SAHWJRBASA-N 480.562 0.048 30 20 JCED Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1C(F)(F)F 1833326401 QIAAGKJJVGVKLX-FQEVSTJZSA-N 486.495 0.791 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)c(O)n1 1833698950 QCHRIVSWZDFOPN-BKMJKUGQSA-N 495.580 0.941 30 20 JCED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n[nH]1 1833824678 OXZGDFLWBPXKEX-KQKDOZOKSA-N 463.491 0.211 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1835673935 BQNWNWGMFYXPCW-HSZRJFAPSA-N 454.531 0.915 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)(C1)C2 1835682704 RUPIZPLQNHBPQG-XPPIMPSXSA-N 462.547 0.068 30 20 JCED NC(=O)c1ncccc1C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835767360 SCJBWIGJIQVLDH-WTFDWONZSA-N 486.573 0.895 30 20 JCED CC(C)c1nn2ccccc2c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836383418 VQWYEVGFEXUNFC-QHCPKHFHSA-N 454.483 0.616 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1)C(C)(C)S 1836634034 WIWSJQPJZDZMQS-MRXNPFEDSA-N 489.635 0.897 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836860373 OGGIQNMYMDDILC-QGZVFWFLSA-N 467.526 0.740 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC[S@@](=O)CC)CCO2)C1 1837247458 UDPSARVZMHWIPW-KUSNTZITSA-N 499.630 0.518 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1837393634 XQGBLUJHTDFIFT-MZLICYQSSA-N 460.527 0.856 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1837443597 LGAWVJUZABUFMX-GVFUYMABSA-N 454.531 0.876 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CS[C@H]3CCCCO3)CCO2)C1 1837506465 PCCDITSPNKDZEJ-SIKLNZKXSA-N 468.620 0.984 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837737153 RIDGJNFPYNKGOY-NZQKXSOJSA-N 458.515 0.088 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838254581 IKDMCVPIEFRKCO-HXUWFJFHSA-N 450.927 0.482 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838732773 ZUUYUUVJJRYOIN-OAQYLSRUSA-N 473.511 0.069 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839139355 BLSNZOYMYFSKKC-QHCPKHFHSA-N 491.545 0.498 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1839174059 CNBNUOHCQHXJME-OAQYLSRUSA-N 450.492 0.008 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1839176222 CFBFKXYETGGGEH-RUZDIDTESA-N 486.569 0.349 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1839185083 MFFIOVTVLDVIKT-QZTZHPFYSA-N 494.589 0.581 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1839225400 IXQQWLKZGXWIFY-HOYKHHGWSA-N 487.557 0.597 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1839227826 LDIDCHVVLACTHB-QVKFZJNVSA-N 462.482 0.739 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)cc1 1839670225 WWSYEZLYBGLBDG-JOCHJYFZSA-N 453.455 0.203 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 1839808515 SQMXVMRJVBRJQE-HSZRJFAPSA-N 473.530 0.337 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1840108310 OXJGHQJUHASOEX-XAEMIUIASA-N 482.578 0.437 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840170896 BVWMYSDRKNJZBN-DVECYGJZSA-N 479.574 0.882 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1)c1ccc(O)cc1 1840219873 KJOPPOJIPZRUJQ-HFZDXXHNSA-N 483.565 0.968 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1 1840904987 ZFBDEAVNRXPBEI-VMBKIOOXSA-N 485.585 0.653 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1 1841648917 GJLLXYVFESKQOS-CABCVRRESA-N 495.533 0.104 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195948 UFEOQSYFOKAPOP-MRXNPFEDSA-N 487.509 0.825 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848128646 NEFLDQRQOBPSSR-XRDYCDLDSA-N 461.519 0.256 30 20 JCED CCS(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 10453460 UFUZWYFKTMEXPD-UHFFFAOYSA-N 454.574 0.453 30 20 JCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C#N)cc1 19165608 IWPROTZPJDDXOR-SFHVURJKSA-N 479.536 0.822 30 20 JCED CN1CCN(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)CC1 110899142 MDBBETZTWHONIW-UHFFFAOYSA-N 476.603 0.350 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)cc2Cl)c1=O 480344110 CJZCEEZVBZSNKJ-UHFFFAOYSA-N 467.378 0.705 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 501762346 MUFMACIEWAYRRU-UHFFFAOYSA-N 483.546 0.775 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 502046601 SVMAGINPANGOJY-UHFFFAOYSA-N 465.535 0.823 30 20 JCED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 505859539 YAFWUCKELVFYOD-UHFFFAOYSA-N 453.506 0.393 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 514355565 WZLYTCKIDCPYML-UHFFFAOYSA-N 494.551 0.857 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C1CCN(C)CC1 518725145 FNRBDWJLKAMDNN-UHFFFAOYSA-N 454.552 0.934 30 20 JCED CCN(CC)C(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403674 LXVWBCFUPVHKLR-JEBJBBSMSA-N 495.627 0.671 30 20 JCED COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 745069170 NNUSOUATRJULGT-UHFFFAOYSA-N 458.496 0.845 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 915378407 LIGRKFJOZGUALJ-UHFFFAOYSA-N 473.511 0.825 30 20 JCED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916931921 WVZNANOPGYKMEV-INIZCTEOSA-N 456.480 0.777 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)c1 927571950 PTTIRSGYCFARDD-FQEVSTJZSA-N 485.566 0.918 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2CCCCO2)C1 1302485476 SANJUNSFVRKWJY-BBWFWOEESA-N 454.553 0.299 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)C1 1502472399 STMUQEZOWCRXIY-KRWDZBQOSA-N 466.589 0.769 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCCC1=O 1508426182 SWFUIUNKPZPCAE-QZTJIDSGSA-N 481.623 1.000 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1509782033 XSJNRMVBULSRIH-KRWDZBQOSA-N 466.589 0.768 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1611659603 TWAMJASHCSMSOX-JKSUJKDBSA-N 462.580 0.907 30 20 JCED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)(F)F)CCO1 1620357522 XYQJESGXLDIFQX-LLVKDONJSA-N 457.438 0.677 30 20 JCED CC(=O)N1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1690801226 SNABFJGKHZKFMY-PXNSSMCTSA-N 483.570 0.311 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1696502398 RYACINAFMVJWCH-UHFFFAOYSA-N 466.589 0.769 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1705689140 YZPXATYRRPTPQW-ZIAGYGMSSA-N 489.396 0.331 30 20 JCED CNC(=O)c1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c1 1711332677 PVXHDSOHEPOFOT-DYESRHJHSA-N 491.549 0.461 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1729343180 NGAUIIDTXSKNKY-OXQOHEQNSA-N 496.590 0.921 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)c1 1729736199 JZBXDVZDVNUPDB-SFHVURJKSA-N 486.602 0.549 30 20 JCED COC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC 1730459319 IMSRDALRNKNSQV-HOTGVXAUSA-N 495.581 0.887 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760374759 XIDBFXLFMHQPNQ-HNNXBMFYSA-N 469.955 0.020 30 20 JCED CNS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 1767854677 NXICBYNGCOCSKK-UHFFFAOYSA-N 486.646 0.932 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)NC(=O)OCC)C3)C2)N(C(=O)OC(C)(C)C)C1 1778789241 APXLCIPYGYRIHM-QQMNAOGKSA-N 496.561 0.446 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1779019914 WXVHWARSVNNQNK-XMHVBLFMSA-N 474.587 0.193 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)CCNC(=S)NC)C3)C2)N(C(=O)OC(C)(C)C)C1 1779041547 HDVJYLGMVJAFSB-SBUREZEXSA-N 495.646 0.866 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1779397426 KWPPYVOCMNVZHO-PXDATVDWSA-N 497.596 0.843 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779419577 BSBCLQMRGCFDRF-WHDIMNPESA-N 452.552 0.944 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1779423301 KTTHPXJFTLMXDK-HLZPJYFYSA-N 464.479 0.974 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)C1 1780175646 CZHKNNMODIWOBI-ZSSBTQFMSA-N 468.510 0.708 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(N5CCOCC5)n4)CCO3)C2)c1 1780335227 UVCJDFUYEYJIND-HSZRJFAPSA-N 450.499 0.875 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)c(C#N)c1 1781176197 XXTQCNRHHACMSJ-JOCHJYFZSA-N 488.591 0.800 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1781310486 NBMJOAVWARRGKC-NTKDMRAZSA-N 472.542 0.824 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782648277 CXBOUCYSMYRVHZ-ZGNKEGEESA-N 495.646 0.770 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cn1)CCO2 1783047404 CEWJWADABCGNMP-DEOSSOPVSA-N 484.557 0.610 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)=NO2)C1 1783429559 NFKPQBSUSFOKIY-GOTSBHOMSA-N 490.513 0.060 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567231 JYYWMDQKJYDTDO-JJLPPOTMSA-N 475.542 0.797 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1783784031 KYPNCBDTCQZMAC-SEPYTNNBSA-N 483.562 0.864 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1785572760 PLBGQQYPKSCJLW-XDHUDOTRSA-N 487.557 0.747 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1785576117 HZQBJUCJSOHXAX-WZONZLPQSA-N 459.547 0.938 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1787510664 OKAAFUVMNXJARI-JQAYPSDKSA-N 483.550 0.720 30 20 JCED Cn1ncc(I)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1787777526 SGCZQVNIVWBOEJ-OBJOEFQTSA-N 471.299 0.922 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1789890688 DPXCUROEKGIYSU-AVGNSLFASA-N 459.425 0.926 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1)NC(=O)OC(C)(C)C 1789918519 IIAZCDKPXZWDEJ-VJANTYMQSA-N 469.579 0.835 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]3C2)cc1 1791258271 IRLNGIUKKPLOJS-MGGVOPSTSA-N 469.629 0.960 30 20 JCED COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145228 CQKYYBLMXYMTMV-LNLFQRSKSA-N 461.540 0.823 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)[C@]34CCN(C(=O)OC(C)(C)C)C4)[C@H]2C1 1792279494 YWBJXSLEQFHQOM-ODZAAPRTSA-N 490.601 0.915 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)c1 1792697816 VZAJGNKCMZHYOJ-HATOLVCRSA-N 474.579 0.992 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 1793600240 GJYGBIBREGYZNZ-HMSXXHTOSA-N 467.563 0.543 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@H]2NC(=O)NC2=O)ccc1Br 1793944401 UVYBXVVCSUAKNA-IARIHHJXSA-N 490.314 0.122 30 20 JCED COC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N)c1ccccc1 1795597686 UPDCUGAWXVQFHN-IYWMVGAKSA-N 471.558 0.955 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1797816442 KJDKSAQUZONJDC-LJQVLWLKSA-N 469.542 0.871 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C 1799385781 VBQKYNXZQPBKSD-AINOVGTFSA-N 490.601 0.751 30 20 JCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1800544592 LOWUCJBXAJJUDE-YWVIFJGQSA-N 472.452 0.985 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1800736935 JJVJPWADGMNNAC-SVGOCDNLSA-N 488.585 0.547 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c[nH]c(=O)cn2)C3)N(C(=O)OC(C)(C)C)C1 1801102259 BTEMLNUFTWFEOP-HIRMHNASSA-N 473.530 0.539 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2)NC(=O)OC(C)(C)C 1801929802 HHOAEJSNWFYINS-ZIKOTGLESA-N 478.590 0.962 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1807956507 INIXJEQMTGFRHL-TWFHAPMSSA-N 486.525 0.403 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC2(CCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)CC1 1808818715 YIUYTTTZIYFIHR-UHFFFAOYSA-N 457.531 0.981 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)CC1 1810287710 YWJDBBQWESFKSY-FPTIVAHGSA-N 483.617 0.723 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1813161170 BSUVJRNKCUHVKC-MUGJNUQGSA-N 472.590 0.939 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1814065018 DFWFYYIWFANTNI-PXDATVDWSA-N 481.553 0.325 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671604 KFKSYGGTWJMCSX-BWFKNJDFSA-N 492.554 0.904 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CC(O)C1)CCN2C(=O)OCc1ccccc1 1828542650 NOJVHMGYSSDBGH-MORLXBONSA-N 469.494 0.297 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCOC)CCO2)C1 1830490638 URLQFJBUZRUZFY-MBSDFSHPSA-N 467.563 0.786 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)CCO2)C1 1830885899 MYPSPKQLCURHGJ-YIGJPRQDSA-N 495.573 0.612 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccccc3C(=O)OC)CCO2)C1 1830888494 VEMCSXYDCRYGBY-UQBPGWFLSA-N 472.538 0.901 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nn(-c4ccccc4)c3O)C2)C1 1831387867 RVSPXFUICIJNKK-DFBJGRDBSA-N 482.537 0.995 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1831418748 GMBWVVNCGIHSEF-HDKOVMQUSA-N 489.569 0.213 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1832000826 YWDDWKDCOFMLQP-SBUREZEXSA-N 495.573 0.865 30 20 JCED C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832132373 NJPUCPGHCFMQPO-GGUMNFRJSA-N 493.557 0.424 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832354214 RYHYLDKUZDDATL-IMWIBFENSA-N 461.559 0.272 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1832457539 TYNHCVHKPQRUEN-NRFANRHFSA-N 461.544 0.320 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1833400239 OJICTXFVYFKHNW-OJYHMXOKSA-N 490.538 0.267 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CCOC1 1834765618 IPRCFASPOQVSPL-NHCUHLMSSA-N 452.508 0.040 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2 1835256158 AAVRLUXEFHMQCZ-FQEVSTJZSA-N 458.653 0.539 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835307624 FQBXAMNSVRSQPC-RHGYRFJNSA-N 494.589 0.581 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835342442 CHPQUTKJYHKJGO-JOCHJYFZSA-N 461.540 0.529 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835346711 QTHGZAYYARECKB-HSZRJFAPSA-N 475.567 0.783 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1)c1ccc(O)cc1 1835517097 ROOMFWDICIYWCO-FDDCHVKYSA-N 474.583 0.972 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c1Cl 1835635931 FLGCGSALGHEUOY-NRFANRHFSA-N 460.922 0.122 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837403486 MUOXQBJGKVTVHX-VGOFRKELSA-N 450.488 0.447 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530134 JFJJHJOOSVXOCB-GIFRWZEPSA-N 484.550 0.497 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837531536 PBWTZISNCMZGKG-JONYFANXSA-N 476.486 0.409 30 20 JCED Cc1cc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1837555205 GASVKFQVCRVYLH-SBAKUFHNSA-N 462.503 0.982 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nn1 1837566823 NWNWJQFFWNIREL-YVABFXQFSA-N 457.487 0.657 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)N1CSCSC1 1837570684 WELCHNMIXIXIRR-UWJYYQICSA-N 485.676 0.768 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1)c1ccccc1 1837614722 VPRXDDMNSJBXQB-RPLLCQBOSA-N 482.625 0.887 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1ccccn1)CCO2 1837735243 IOUIIZYRGLPDBG-VQLQEPDVSA-N 457.531 0.197 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838392965 RFMCXOGFLORKGU-LWROZRRASA-N 494.589 0.952 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774511 XSNVZMYJNNPQHZ-APWZRJJASA-N 493.557 0.443 30 20 JCED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1OC 1838840816 JMRYVERWCWRWJY-HBAGGBEISA-N 475.546 0.641 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)N1CCN(C)CC1 1839101429 KHIOOKLEKSXDNR-BWKNWUBXSA-N 454.571 0.130 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138964 SOFTVXXCEKXJCS-PGRDOPGGSA-N 489.635 0.939 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839203677 RTFYHDAAIZWPBM-JLHGSKIFSA-N 489.635 0.673 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839372518 FVKALULXWXZXJS-QGYYCOFESA-N 479.486 0.402 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)c1 1839419771 UMGOPFOCVAQQLP-NRFANRHFSA-N 472.433 0.572 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043543 FJHNAFZPRDQUJA-UUOWRZLLSA-N 491.541 0.228 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840051494 COXPHUSIAOKFMY-OBFMXLEASA-N 455.511 0.961 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4CN(C)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251687 UFODZWXQOFUPBN-CYFREDJKSA-N 478.590 0.570 30 20 JCED COC1(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CCC1 1840616726 KTNHZAFKFCDVSZ-PHPQDFSTSA-N 453.536 0.931 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1840907188 PZEOQLWLHBFAJX-UZUQRXQVSA-N 475.546 0.705 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)N1CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C1)C2 1840916312 WUQXFKLNVLHYFV-AIDSWVIKSA-N 491.541 0.319 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842880919 FITCIYGSXHJXFN-JKSUJKDBSA-N 451.568 0.642 30 20 JCED O=C(Cc1cn2c(nc1=O)SCC2)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301977 SVSKXVGOSDFGQW-NMONLQQWSA-N 461.544 0.624 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1ccnn1)C2 1846366111 RIJRQOOCMLUQBJ-INIZCTEOSA-N 491.549 0.287 30 20 JCED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 480218445 VHLDADTXKCMBFD-MSOLQXFVSA-N 497.573 0.658 30 20 JCED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccccc2O1 518068666 ZHDJMXZDAHWUNX-FQEVSTJZSA-N 498.517 0.358 30 20 JCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cn2)cc1 604146104 WRDQUHBSQKOMFJ-UHFFFAOYSA-N 462.466 0.633 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(=O)N(C)C 604269970 AFRPMFFNMRGANS-UHFFFAOYSA-N 484.603 0.868 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Br)s2)c1=O 604270276 KMTULVUKWZNYGJ-UHFFFAOYSA-N 481.397 0.604 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(OC)nc1 726962715 ZFVKNOVTMHSHKN-UHFFFAOYSA-N 452.540 0.682 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 728535052 WLJFQWNRZSANAN-QGZVFWFLSA-N 450.536 0.120 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)cc1 811901541 CQVMWUKQTKRVIM-OAQYLSRUSA-N 456.480 0.719 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 824404806 XFDDUBQDQOWAKP-AWEZNQCLSA-N 468.470 0.321 30 20 JCED CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918420773 UXCLJHQOCXEKLK-XLNRJJMWSA-N 464.548 0.264 30 20 JCED CCN1CCN(C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1296184109 JEJIFJLFLZMXNM-MOPGFXCFSA-N 467.578 0.928 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1305121830 LEMXTVYFVFKMKQ-GJZGRUSLSA-N 452.523 0.084 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCSCC2)C1 1505141823 XJBLRMDMSYDYBJ-MAUKXSAKSA-N 473.600 0.102 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539804141 ROWPVDPGEUSELP-UONOGXRCSA-N 452.002 0.698 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCCCCC1 1541942440 DMJWOYQFOKIJHF-IEBWSBKVSA-N 464.640 0.941 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1554451526 IVOXTTNCZFWASK-OALUTQOASA-N 488.570 0.647 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCOC[C@@H]3C#N)CC2)cc1 1565731654 NFYJBQVYAOKQMV-INIZCTEOSA-N 450.517 0.059 30 20 JCED CNS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1618845818 QHXUAQDDIANISA-SFHVURJKSA-N 459.576 0.603 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCn1cc(Br)ccc1=O 1628664991 QCYYIZSKOKHTAU-UHFFFAOYSA-N 453.318 0.856 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(S(=O)(=O)NC)c2)CCOC1 1696094462 QNCZYIFDMDILNG-UWJYYQICSA-N 476.559 0.615 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN(CC)S(C)(=O)=O)CCOC1 1728819126 VCXIYMAWGKEPOB-APWZRJJASA-N 456.569 0.331 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1729314762 RYLNFZFKFHBQOU-UHFFFAOYSA-N 454.535 0.027 30 20 JCED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1742233495 VPSOUKFXDKLYIN-UZLBHIALSA-N 479.538 0.108 30 20 JCED Cc1ncc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)s1 1742621341 CCZVQCHHABAXPK-RHSMWYFYSA-N 455.541 0.866 30 20 JCED CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768255083 OURHLRAJPPEOGO-INIZCTEOSA-N 477.616 0.881 30 20 JCED COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1770934091 VGGCJOYODRYBII-UTKZUKDTSA-N 461.544 0.751 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1=O 1771150672 ZCIUAQGIKCMCRA-IBGZPJMESA-N 483.573 0.744 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5nc6ncccn6n5)C4)C3)c2c1 1777832956 YZTORAIQZKBEPY-JOCHJYFZSA-N 457.454 0.630 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(C)(C)C 1779099893 OMEWDVWAWIVUMO-QYFNWXPYSA-N 452.552 0.896 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1779398013 CKBGGEGWRPTKTJ-AUSIDOKSSA-N 456.543 0.456 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c(C#N)c1 1781171469 ZQRRXAGFWBXKOY-XMMPIXPASA-N 466.494 0.254 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c(C#N)c1 1781174577 QBMZCRZPBXUIJV-XMMPIXPASA-N 456.543 0.662 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1781187316 GEPIZYPYXBOABK-LRAJWGHMSA-N 473.592 0.981 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)[C@H]2C1 1783846120 MMSOQOANANGDAD-DGYLXYOXSA-N 471.554 0.184 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(=O)(=O)N4CCCC4)C[C@@H]32)c1 1783912167 FCTVGOUSODWXGK-FKBYEOEOSA-N 488.610 0.896 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)COCc3ccc(OC)cc3)C2)C1 1784096720 XUDKQCZIDUZDRE-HMLKYZKVSA-N 457.527 0.900 30 20 JCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784535036 LKYAKAYUOSQVQN-QUSNUVHPSA-N 459.609 0.806 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccc4sccc4c3=O)[C@H]2C1 1785254620 VKCDECALPOXRJX-UOSUDSKPSA-N 484.578 0.901 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1785571479 BUJVMQGUGDTXCT-IVZQSRNASA-N 459.503 0.542 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(Br)cnn3C)[C@H]2C1 1787777782 ZZTQPKYJBNIFSB-YXWQFLTLSA-N 453.337 0.814 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791343224 STEMUXFLEXZKAJ-SPOLIRPYSA-N 478.590 0.962 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnn(C)c3)[C@H]2C1 1791670091 HFTSZHDVAGZCRO-MUGJNUQGSA-N 473.574 0.859 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCS(=O)(=O)CC4)C[C@@H]32)c1 1791985157 HUNKSTMEWZFRTQ-MNAPGUCWSA-N 488.610 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1792568031 CVJNNTIGHFMWDB-HUJJFYJPSA-N 492.573 0.939 30 20 JCED Cn1c(=O)c2c(CC(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC3CC3)csc2n(C)c1=O 1793470116 OWBDJTLBRZKYEJ-BJWYYQGGSA-N 454.552 0.893 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@H](N)C(N)=O)C2 1793831348 ALOYWCBIVUNHPG-QEOTZNIISA-N 451.568 0.687 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1796395096 SXQMBZIUKDDQOB-JCECYMMASA-N 470.567 0.917 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)c(O)n1 1796421712 COGVJEIROMWAIH-NNXQTKTDSA-N 487.582 0.911 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Cn1cncn1 1797903791 XZDYGNHIEHMWOD-ZSXDVEMLSA-N 474.562 0.420 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798632689 LFEUHONCKZXJEN-BASYENTBSA-N 461.519 0.443 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCN(C)CC2)C3)c(C#N)c1 1799237435 JFJSTYPLXDKDEZ-GQEURGSBSA-N 469.586 0.336 30 20 JCED Cn1nncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799708189 CDQZEQYLNVKJSD-XOIINTDNSA-N 459.304 0.966 30 20 JCED COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)n1 1799882350 KDHZUXMISAXBRD-CWPLJXCYSA-N 463.498 0.794 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1800723038 CRHDFOOHTCFISA-MYNMMXSPSA-N 469.604 0.776 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1800801373 BAIMGFRPMMIOFB-HAFSJTIUSA-N 459.565 0.351 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 1800989148 DGWHHVPOPPWZIY-WDXOOCEESA-N 496.630 0.268 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)O 1801024671 SYVNZTIQRQMKBH-XYKMGWITSA-N 483.587 0.863 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2)c1ccc(O)cc1 1801056795 UWAYALIDDFVUEF-PZTGFMGMSA-N 466.494 0.994 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801297599 VGIAJALDYWPMSI-IVSAIRAKSA-N 480.591 0.956 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801441052 MWHAEOYVRZEQDM-KVWRPFDZSA-N 475.550 0.293 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)C(=O)Nc2cccnc2)[C@H]1c1cccnc1 1802484996 ZXPAMVRXQYWARN-FPWSIBOVSA-N 462.510 0.980 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810149119 WTNGNPKYBQXIRV-LPHOPBHVSA-N 453.551 0.702 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1810397826 BKMLDQHFTHZUBT-DXNFLERSSA-N 455.471 0.343 30 20 JCED N#CCc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)cc1 1816673578 DWYYSMGYYYBGNA-CYBMUJFWSA-N 475.494 0.875 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819708748 CKQWYSBXJKLZEH-YGRLFVJLSA-N 457.516 0.673 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cn1 1825665514 QLHJWFIRVSXUOX-LBPRGKRZSA-N 462.509 0.397 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1828923219 XZUCIDOSPSPUFA-CYFREDJKSA-N 484.557 0.335 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCN2C(=O)OCc1ccccc1 1828930592 KOOQFIYUKPMYMS-DEOSSOPVSA-N 467.526 0.975 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828969778 OGHVOGUDJASLIK-KOSHJBKYSA-N 486.573 0.513 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cnnn4)CCN3C(=O)OCc3ccccc3)C2)CCC1 1829016634 BYVZXXOLNLVWSU-XMMPIXPASA-N 492.540 0.819 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829302776 FMZLTKFQDXHSRC-KBMIEXCESA-N 484.553 0.742 30 20 JCED CN1CC(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)C1 1829335001 QEQJDTOWOBXHJC-XMMPIXPASA-N 468.510 0.088 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnn4)C3)C2)cc1 1829635744 MXZHBSNBTBUMCT-XMMPIXPASA-N 465.510 0.816 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)c1 1830462804 OLQMQPZZHUZUQI-RUZDIDTESA-N 468.554 0.960 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(Br)ccc1[N+](=O)[O-])CCO2 1830545485 JWDVOTNRPPOKRY-LJQANCHMSA-N 466.288 0.989 30 20 JCED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1830740300 ZGPLEYHKRUKUFX-AOMKIAJQSA-N 450.536 0.907 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1830838996 YKTIIHNIWSKJQQ-MWTRTKDXSA-N 475.567 0.376 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)CCO2 1830957815 UEEXRGWEQZLIJC-RUZDIDTESA-N 485.585 0.962 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1831999695 ACSJFEOEYVVTSY-XFAGBWLFSA-N 494.589 0.438 30 20 JCED O=C(CC(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832249356 XZLFOYDYTIKGIA-LBPRGKRZSA-N 454.295 0.750 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)CCO2)C1 1832749914 NPMPWLOVCYSRCQ-KHCICDEESA-N 489.594 0.591 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833025515 CQSJTZQWUGZYCX-AFMDSPMNSA-N 492.532 0.501 30 20 JCED C=CC[C@H](CC(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1)NC(=O)OC(C)(C)C 1833222357 ACUSACRWIPPJTE-QGZVFWFLSA-N 468.595 0.728 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC1CCN(C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1833239305 IIJIYIIIDLXHPU-RUZDIDTESA-N 489.016 0.914 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)nc1 1833597155 UJHQZJBEFIDKPL-XMMPIXPASA-N 498.561 0.669 30 20 JCED N[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1cccnc1 1835834504 SGDXGBDXXSHLPP-XPMVYTBXSA-N 475.546 0.457 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CC)NC)CCO2)C1 1835919420 SXDDVHVIMLOIML-IUKKYPGJSA-N 466.579 0.357 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380790 GFLZKOWAULZERS-JTSKRJEESA-N 465.572 0.908 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836479123 AGJNLTGTYGXYAO-AXHZCLLHSA-N 478.590 0.830 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c(Cl)c1 1837275104 GLIMCJGUUMFXSX-NRFANRHFSA-N 473.921 0.615 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1837396581 GKESTYWDCIDWDM-PEBXRYMYSA-N 475.571 0.917 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1837404828 CJWOGODNWBZPJW-XXBNENTESA-N 498.573 0.872 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837529611 WKPWSYWLPSHETN-IXUOJCAQSA-N 472.502 0.328 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530858 SAIHMMHLTCRIBE-JPHKLTHBSA-N 467.519 0.481 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1838642472 RAAHQVWMNHOLNC-UHFFFAOYSA-N 460.531 0.751 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2)c1ccc(O)cc1 1838642831 NAIVUHILABRIMD-KBMIEXCESA-N 480.521 0.743 30 20 JCED C[C@H]1[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCCN1C(=O)OC(C)(C)C 1839136566 ZODSEEPRXYWCBZ-XFAGBWLFSA-N 493.557 0.566 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)ccc1F 1839186153 CRONEOZODVVFMZ-DEOSSOPVSA-N 468.485 0.558 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839205640 YWYJBBXXOXDOGB-ZHRRBRCNSA-N 466.535 0.022 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(NC(=O)OC)c1)CCO2 1839244030 ZQRJPZYUSFQLMR-WEHRJKGCSA-N 486.525 0.793 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)c1 1839422422 SGEWDMJHYQQQLG-FQEVSTJZSA-N 451.476 0.585 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839538817 MGPIPUXDGBZPME-HSZRJFAPSA-N 454.531 0.686 30 20 JCED CCN(CC)C[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839678400 WIOLAYDWTXVPFJ-QKVNLTODSA-N 451.612 0.892 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)Cc4cccn4C3)C2)C1 1839810415 WNABWQWRXFXYBS-CLOONOSVSA-N 486.569 0.945 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]3OCC[C@H]3N(C(=O)OC(C)(C)C)C1)CCO2 1840036225 OUYVCEAXKZBHMA-LUCIHVKJSA-N 477.558 0.491 30 20 JCED C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040162 QQWSLXNHDJVEML-QZTZHPFYSA-N 493.557 0.424 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840484093 YJXGGXMHKGVTBI-QHCPKHFHSA-N 454.458 0.989 30 20 JCED Cc1cn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc([C@@H](C)C#N)c2)CCO3)c(=O)nc1O 1840716508 KRZUYYNGMHWISK-GKVSMKOHSA-N 495.536 0.655 30 20 JCED Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)c(=O)nc1O 1840805925 JCTNRYTXKPUJFC-VWLOTQADSA-N 495.536 0.218 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840904097 YJJBEFZXLCQAKC-CYFREDJKSA-N 457.527 0.220 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1840908866 JOGLHEDRACRERZ-DVECYGJZSA-N 479.574 0.786 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1840912572 LYTJQWLGGDBUAS-ZGNKEGEESA-N 490.561 0.355 30 20 JCED C[C@H]1[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCN1C(=O)OC(C)(C)C 1840962439 VUBBVDHUSQKQLC-HKARXFIJSA-N 479.530 0.176 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C1 1841231100 QFASBQYXLKHNRR-DLKQWWBSSA-N 469.604 0.890 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCN(C)C)C2 1844215508 OFGJQNPXJWRPJD-QGZVFWFLSA-N 481.594 0.947 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2cccc(Cl)c2)CC1 502045939 GIZLUJMSDKXRSJ-UHFFFAOYSA-N 482.997 0.953 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(C)cc2C)CC1 502058131 YURYKCABUFLXOX-UHFFFAOYSA-N 476.606 0.917 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c(Cl)c1 514915384 ZOXIPNUYZUOQNZ-UHFFFAOYSA-N 488.997 0.858 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1OC 603792345 MCQXDCSTBCQNML-UHFFFAOYSA-N 450.520 0.958 30 20 JCED N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 608911081 IMVNMLPTAZFPTK-UHFFFAOYSA-N 478.442 0.418 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)ccc1F 609220538 SMMATVUPVBKRHI-UHFFFAOYSA-N 472.586 0.965 30 20 JCED COCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 609599914 UDXTVLZQFYMCSY-GOSISDBHSA-N 469.585 0.621 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1 728572949 GQTAPTZPIGXTHL-UHFFFAOYSA-N 475.615 0.475 30 20 JCED Cc1cc(NC(=O)CN2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 810876209 FJZPKYCMFUKDAW-UHFFFAOYSA-N 474.543 0.585 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(C(C)(C)C)s2)c1=O 920395293 MXKMSMLBQWSCPI-UHFFFAOYSA-N 462.597 0.672 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)c1 927571951 PTTIRSGYCFARDD-HXUWFJFHSA-N 485.566 0.918 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2COCCO2)CC1 1288985834 DXBJKCVKYYCLOH-HOTGVXAUSA-N 454.553 0.156 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1COCCO1 1303859362 NFALFCKBWVAPIZ-CVEARBPZSA-N 493.565 0.641 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1596675653 WBVZCVYUZNXUQW-NFBKMPQASA-N 469.546 0.137 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1611663767 QBAZUDJDFGLILL-RHSMWYFYSA-N 466.589 0.831 30 20 JCED C[S@](=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CC1 1620180403 VGLPWSJDVSTCAY-JTBPQFFMSA-N 470.621 0.652 30 20 JCED C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1649569497 RFTUNKHWYCEXNX-SFHVURJKSA-N 453.547 0.832 30 20 JCED COc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@](O)(CC#N)C3)CC2)cc1OC 1679492455 OPWORMWSDARJCQ-HXUWFJFHSA-N 452.533 0.917 30 20 JCED CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1706316499 YKYNGTRYRLDGOB-LJQANCHMSA-N 450.547 0.841 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1706656632 VOODPPJZQFMKLX-UHFFFAOYSA-N 488.618 0.355 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccn(C)n2)CC1=O 1712493440 PPSWSEDSQWIWTO-UHFFFAOYSA-N 450.503 0.806 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN1CCCS1(=O)=O 1750973096 ZKFVGZDGJABRKV-LJQANCHMSA-N 487.586 0.901 30 20 JCED CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccccn1 1760813299 JPTHYTGVPWHIFZ-IAGOWNOFSA-N 475.575 0.713 30 20 JCED COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1768340056 NRSFHZKGRURCEY-KUHUBIRLSA-N 467.935 0.885 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)ccc1F)C2 1779200106 KLDZTXQTCDHLEY-SFGWALBWSA-N 462.478 0.889 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1779442230 FEBNXCHSRASUKO-RDPVSWSHSA-N 467.486 0.257 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1781167934 LWNSANAORYJQOC-QZTZHPFYSA-N 476.574 0.792 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1781169459 QYZGXKPOQFAVRS-PNCHPQGNSA-N 464.563 0.648 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c(C#N)c1 1781173045 PDXXEWKFGLETNF-QHCPKHFHSA-N 465.466 0.741 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c(C#N)c1 1781174994 WKVDJDDHIOVBEM-DEOSSOPVSA-N 463.494 0.747 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782196738 GCQQURFLFGFMJO-GCJKJVERSA-N 454.487 0.029 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1782962916 XUMCJHGNIBEYQD-YZZKKUAISA-N 497.614 0.959 30 20 JCED CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783554828 FWFDNUWLSVOEJB-YADARESESA-N 471.510 0.999 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1783770766 DDPQGZXLVNOHTR-AVIJNYRZSA-N 483.562 0.902 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)CCO2)C1 1783895662 YUNNCVVYYAOCNV-QKKBWIMNSA-N 480.591 0.791 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)CC)[C@H]2C1 1784372701 KGNZQQQMZMSSQE-FKSLSLAPSA-N 478.590 0.797 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1784500112 DAFXDEOXDVKZKK-BCYZHJNNSA-N 469.579 0.833 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1784510808 WNLOLCDEFQTSIW-ATIWLJMLSA-N 482.578 0.326 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)[C@H]1CCc2nc(O)nc(O)c2C1 1785330922 MQDWMNCBAKHRCH-VKRLORBYSA-N 498.580 0.671 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)N4CCOCC4)[C@H]3C2)c(C(F)(F)F)n1 1788651061 PIRCVQJXAYRTAV-GDEPLPEGSA-N 497.474 0.216 30 20 JCED COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)cn1 1788659358 KDKXIBKKTUFVAR-RWWRFMNPSA-N 474.514 0.991 30 20 JCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1789809842 KTBXFPANOLGZET-HVTWWXFQSA-N 463.575 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)NC(=O)CS4)[C@H]2C1 1790452894 HXRXTVTXMMNNND-MJBWGRTLSA-N 485.566 0.578 30 20 JCED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCOCCOC)C[C@@H]21 1790831871 HZOITKUROXBLBO-TUFLPTIASA-N 456.580 0.875 30 20 JCED CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079271 AWXGGQWGYKMTGR-LLYLOPHFSA-N 465.547 0.994 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1791108248 AQVNQLPJQFOTLC-DWIKVQACSA-N 495.617 0.910 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnccn3)C[C@@H]21 1792255454 NZYPWQAHQDNJKZ-LEAZDLGRSA-N 471.558 0.915 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O)c1ccccc1 1793943181 QXPSWVAPISQLQX-XQPJFTJZSA-N 452.511 0.371 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420490 ATGSBEIIKPXGAG-DCHBRCABSA-N 462.547 0.639 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1796300689 HMWKEHJNGZDEGJ-YRPNKDGESA-N 472.542 0.841 30 20 JCED CSCC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)NC(=O)OC(C)(C)C 1796390818 OOWBHCWFALRWIX-UIVXKWKOSA-N 483.587 0.701 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800801497 KGMOSKHVVQIOGI-FSNPWBFUSA-N 497.589 0.606 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCOCc1ccccc1 1800848268 PZWAIECDYJEQLE-BQXRJHOYSA-N 488.581 0.864 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](C)S)CC2)CC1 1800985683 NJAGPZXLCCWAPW-KBMWQNTOSA-N 466.648 0.617 30 20 JCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1801166679 AACMLKYUOPNZAZ-XQPJFTJZSA-N 463.575 0.997 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)OCC)CC1)C2 1802126921 DACOJHSXQIZOOZ-MHORFTMASA-N 477.558 0.836 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1802127855 ZDJQRWJZYNINME-AXVVYFOYSA-N 473.530 0.362 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C2 1802128027 MCBLVINUQYIQDB-SOVHRIKKSA-N 450.536 0.017 30 20 JCED O=C(C#Cc1ccccc1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1806617422 LTWNKFYRXAFCLB-XMSQKQJNSA-N 468.477 0.579 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1812872657 GNZWJYZPHFDQMJ-UUOWRZLLSA-N 490.516 0.956 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)/C=C/C(=O)NCc2ccco2)[C@H]1c1cccnc1 1812881641 YCZPNUQLXMPWSK-UPTLPTDJSA-N 450.451 0.641 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1812882916 SUIXIJUKPPFCOO-WPSZSDGUSA-N 486.525 0.547 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2ccc(O)nn2)[nH]n1 1814439625 SPFHRXIYYLSHSJ-IDTUSYRASA-N 455.475 0.835 30 20 JCED O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1)c1cc(=O)n2[nH]cnc2n1 1817468579 DYPPUOQSNLDTFW-QDMKWJIZSA-N 483.489 0.976 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(=O)n5[nH]nnc5n4)[nH]n3)c2c1 1821380694 IIXLLIIXZFRUKH-MRXNPFEDSA-N 498.467 0.903 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334771 NKAITALYWFVDIU-BXKMTCNYSA-N 484.509 0.051 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1cccn1 1829393740 UYXOAMPCDSAUNN-CLOONOSVSA-N 493.520 0.984 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1829766091 LKHPZEAVDBPJMH-IBLIISRWSA-N 465.510 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCCCC(=O)OC)C2)C1 1829773202 DKMVXLZDNSEFLR-DJYGDJEFSA-N 465.547 0.425 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830184611 PWOWCXSHRKEJDR-JTSKRJEESA-N 481.571 0.961 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c1 1830457779 FRMQASIERSPXOT-DEOSSOPVSA-N 466.494 0.660 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461672 VYTPOELTLRFSRW-XUZZJYLKSA-N 472.542 0.098 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1830568496 BFUCRKKCIVTNAP-QYWGDWMGSA-N 475.608 0.283 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(OC)OC)CCO2)NC(=O)OC(C)(C)C 1831043830 SRZQUDQCROUHTF-GAJHUEQPSA-N 485.578 0.921 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c2ccccc21 1831213203 HVYHGIFBAPVGMS-DEOSSOPVSA-N 452.511 0.210 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)C1 1831386581 AUMVKBZLZMYMPF-JLGINSKQSA-N 455.511 0.674 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(Br)cn3)C2)C1 1831387871 RXMYXEWWSSOOFS-IERDGZPVSA-N 480.359 0.881 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1831409031 HPXMKYCADBYAFR-VWLOTQADSA-N 486.569 0.930 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1831723605 PRECBUHTOZTOCG-CECAUBDESA-N 466.535 0.381 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833025518 CQSJTZQWUGZYCX-BCHFMIIMSA-N 492.532 0.501 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c(O)n1 1833699196 UUQAJYVWIRQKGP-QHCPKHFHSA-N 485.497 0.491 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834196690 RXHMPIVCUSKDMR-OSPHWJPCSA-N 488.541 0.774 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)[C@@H](F)C1 1834756447 ZWMQAXOKIOUEIQ-HYFFOGBASA-N 468.526 0.952 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)[C@H]2C1 1834767446 QMCCLBGOLMAVPQ-OIMFZILRSA-N 478.546 0.238 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835560314 DVRVQWCXEARARM-AVRDEDQJSA-N 466.655 0.087 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1835793884 XNXJPOHWUPUFEZ-INIZCTEOSA-N 453.547 0.470 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5csc(N)n5)CCO4)C3)c2c1 1835797544 VTXSLAXHHZMQTR-NRFANRHFSA-N 467.511 0.857 30 20 JCED Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)n1 1836055425 KWDXFAFKBAHVDT-XMMPIXPASA-N 451.527 0.923 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CNC(=O)c2ccco2)CCO3)c1 1836121906 WVOZJXJFMLUBAM-RUZDIDTESA-N 480.521 0.970 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1836526231 ORZAKTDCUVPWMV-HLHNIQGOSA-N 496.568 0.707 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837297072 OJSVVIYBXLYMHX-VSDWSMLSSA-N 474.514 0.978 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837318562 UUNWZGRCXPCVOP-ACEWYNBDSA-N 481.424 0.077 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1837431515 SCEIEIQJVYPRMU-CNNODRBYSA-N 451.640 0.217 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1837442379 WPUQEHJZYHNVMY-NRDUTDNZSA-N 481.557 0.809 30 20 JCED Cc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1F 1837524912 PDPOOXGKIVXNJA-LEYRACOBSA-N 467.498 0.467 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567361 GXULVTXUSLTYMK-AMFJNGDOSA-N 457.531 0.748 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1)c1ccccc1 1837613006 ROALUOXQPWXBDN-WATLYSKOSA-N 470.570 0.233 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837669171 LTYYISOUGXOVMQ-KOSHJBKYSA-N 456.543 0.862 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837697726 ZXKYQBXHHOWPIX-DEEAVJJBSA-N 461.540 0.634 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837700515 QWALEYFUKVHDDB-WAIKUNEKSA-N 456.499 0.328 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCO2)C1 1838524958 WARDEPIYJCGPTA-MWTRTKDXSA-N 473.482 0.638 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838595728 ZMTYBLDWVYITMY-OAQYLSRUSA-N 463.922 0.553 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1OC 1838739209 OGNDWXLPROJTBH-QFIPXVFZSA-N 455.471 0.682 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1 1838759020 RHJVWQQEURKXMV-DEOSSOPVSA-N 473.574 0.802 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)cn1 1838950937 OQDVPSMPFIQZJV-XMMPIXPASA-N 498.561 0.882 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839450844 KEXKZTJPDCNHNC-QFIPXVFZSA-N 461.540 0.843 30 20 JCED Cn1cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)ccc2n1 1839504372 AZBLIZKMTISPHS-DEOSSOPVSA-N 468.558 0.925 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3[nH]nc(C(F)(F)F)c3c1)CCO2 1839614205 QQZKLCPEXRMULO-FQEVSTJZSA-N 480.399 0.740 30 20 JCED CCN(CC)C[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839676937 ZZOKWXUAXYKNIE-XXBNENTESA-N 451.612 0.703 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1839840754 LMIFRIYUYGVKLB-PNCHPQGNSA-N 468.595 0.897 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1840029293 ZIIWHAJMMGUMRP-PNLZDCPESA-N 453.536 0.389 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)ccc3Br)C2)C1 1840039947 DYJGMBIHPKIIJY-IBGZPJMESA-N 469.263 0.746 30 20 JCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1)C(F)(F)F 1840077771 LAWPSJBDGJAQJT-IBGZPJMESA-N 468.469 0.631 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840164772 QCJXMKXVCCNJGT-QQMNAOGKSA-N 499.630 0.787 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCc3ccc(OC)cc3)CCO2)C1 1840253058 QOMZYWURVKBUPM-CYFREDJKSA-N 460.527 0.707 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1F 1840772903 UZGGNJYKXNUNKO-NRFANRHFSA-N 465.503 0.603 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1840805921 IQKQTNBINYGOSS-VWLOTQADSA-N 492.617 0.799 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1840820159 BMLFHQRZUSRFJY-DEOSSOPVSA-N 483.477 0.824 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)N1CCN(C)CC1 1840820166 BZEQUCZWXCWQCD-CPJSRVTESA-N 485.585 0.029 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1840845274 RPBDUGUJVHIKGJ-XMMPIXPASA-N 451.479 0.599 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)no3)C2)C1 1840907043 OBLJKUFXRBCYED-GAJHUEQPSA-N 476.530 0.970 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1840909573 WQPWHHDARGECHQ-MBSDFSHPSA-N 475.546 0.325 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1840959566 XFUXLXRCYWKVNU-WZONZLPQSA-N 465.547 0.492 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ncn(C)n2)C1 1842354402 HFDDBEZNLXZHHJ-OAHLLOKOSA-N 491.549 0.438 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)C1 1848218963 RPNBTLOQSIMFCS-ULQDDVLXSA-N 457.487 0.465 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2F)CC1 577127196 CYWQBTMXPJNYDG-UHFFFAOYSA-N 466.516 0.509 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 603505385 GGVSHQCKVNDIEF-UHFFFAOYSA-N 488.570 0.829 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(OCc3ccccc3)cc2)c(=O)n1CC(N)=O 608911374 CRBQZXVFEZAQRN-UHFFFAOYSA-N 474.542 0.756 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cc1 609333589 QKNFSEIFDPEUCH-UHFFFAOYSA-N 478.530 0.562 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 729323667 SVJINZMSILHDSS-OCLJWFPGSA-N 477.587 0.619 30 20 JCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 746508704 WGZFHOWUIBUIDF-HNNXBMFYSA-N 451.588 0.864 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1 811833526 GNIOFNBIBPNBBW-UHFFFAOYSA-N 479.536 0.610 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)NC[C@H](C)O)cc3)CC2)o1 915476239 QBMVVACSTXRUIL-AWEZNQCLSA-N 491.526 0.019 30 20 JCED CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1288241287 IJDICDDCVFULDU-SFHVURJKSA-N 475.575 0.644 30 20 JCED C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C)S(C)(=O)=O 1508434087 MRGFFEJFZUCSBM-CABCVRRESA-N 468.605 0.966 30 20 JCED CN1CCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1517423779 XCOYNEJPFAUQHA-DYESRHJHSA-N 498.629 0.079 30 20 JCED CN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1554279243 PSJQPUKRAFAIEQ-ZIAGYGMSSA-N 450.487 0.793 30 20 JCED Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)CC2=O)cn1 1554338665 WOUHOSQXBBANNF-UHFFFAOYSA-N 469.456 0.785 30 20 JCED CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1641669788 IVPKCZQAQQTOSU-RTBURBONSA-N 468.601 0.936 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 1662238090 WWVPVFDZSIDNQD-CQSZACIVSA-N 450.546 0.498 30 20 JCED CCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1695855472 XCYRLXBWNGOHEQ-QXAKKESOSA-N 464.640 0.939 30 20 JCED CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)CC(F)(F)F 1711212978 TWSAMOMYIOVRKB-GOEBONIOSA-N 475.541 0.851 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1711222485 VWZHVYILTWSLKS-UHFFFAOYSA-N 461.592 0.913 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCO1 1711369180 UUGMQNZOIULVDW-SFHVURJKSA-N 453.503 0.206 30 20 JCED CO[C@@H]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730356176 AHRBPMWHYRGLOH-CIRFHOKZSA-N 451.597 0.880 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1740738706 KGEKFEZLAGWZET-NSHDSACASA-N 485.430 0.315 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc(Br)cn1 1741943939 JJVAASHNOZBYAQ-WCQYABFASA-N 473.357 0.276 30 20 JCED CCNC(=O)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1746498655 LODHZONFVQBWSE-QZTJIDSGSA-N 458.544 0.707 30 20 JCED CN(C)C(=O)CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1747529786 SMHOAVLPXVZEBF-QGZVFWFLSA-N 475.575 0.793 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1)c1ccc(O)cc1 1778359764 XQIWFIMTLVSVFH-YIXXDRMTSA-N 496.608 0.883 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779360914 WYJZXGVDKMLZMN-PVSJFBPWSA-N 495.621 0.858 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)c1 1780172204 DNTKGCMSVXFQIB-QHCPKHFHSA-N 481.465 0.780 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]cc2I)CCO3)c1 1780335413 SXXNQTFTUSGKPD-QGZVFWFLSA-N 480.266 0.971 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1781294407 FIZMXFHURQTOOS-FXKZBUDASA-N 466.579 0.399 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1781311232 OMPZOSSXLKOYRF-HOYKHHGWSA-N 483.525 0.563 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782009694 VPIVLVUUJAHENL-GEQKSPFYSA-N 491.566 0.264 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782013763 HLWJQIMJQWWYGP-TUVUNVSASA-N 459.474 0.546 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1782804162 UMCYOZBUEPNHHC-BJKOFHAPSA-N 456.543 0.995 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1783910615 CPOMJSSWVXHNDQ-JPYJTQIMSA-N 499.630 0.948 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1785303642 CCXMEMXIMABQAR-MFEFFIJZSA-N 464.563 0.954 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnn3C)[C@H]2C1 1785468211 WTFZUWAQRBSXTQ-PFEYMUGESA-N 474.562 0.878 30 20 JCED CCOc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)cn1 1785607298 OTEIQNYEPSPIJC-HLQHJQNWSA-N 461.519 0.998 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(=O)(=O)c3ccccc3)[C@H]2C1 1786584410 JLSBYKUXUZMCRY-ZFMNYDKASA-N 462.568 0.868 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788504261 PLHMULSDJAGFFL-NXOAAHMSSA-N 491.593 0.769 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1788660617 AEPBYWRVWGMWMZ-VZVIDEFNSA-N 491.501 0.265 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnn3)[C@H]2C1 1791604437 DJZPJDBIUHXTCF-OKYOBFRVSA-N 487.557 0.752 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)cc1 1792557027 CGKYFJVMNPAHBY-CWPLJXCYSA-N 469.523 0.156 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1796308236 UTKLQFVSWZRATM-QLUOCXPCSA-N 451.549 0.132 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1796444837 MCSBGEZRZCIUAG-SPFNZZPCSA-N 469.523 0.330 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C(=O)O)ncn2)C3)c1 1798573873 YJNWXQFBWNVSEN-CCWDJLKJSA-N 451.439 0.572 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1799322211 CFBLXKKEHQWFHT-NYUBLWNDSA-N 489.573 0.692 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1800800081 PMHLSSYFMJZRRZ-CLWJZODNSA-N 463.531 0.446 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1803553556 UNQJMRBBOQNXMT-POAQFYNOSA-N 453.499 0.397 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]1c1cccnc1 1803582783 YVILKEMJANVKGX-UHRBMESKSA-N 462.572 0.627 30 20 JCED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807943753 IACVJHNDSRWPOT-OXJNMPFZSA-N 466.502 0.510 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)CC1 1809664750 CJLPCBVVCXNDJG-FYYLOGMGSA-N 483.617 0.533 30 20 JCED N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810327515 PBZCTLUGDLIPMS-DENIHFKCSA-N 452.559 0.626 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)nc3cccnn23)[C@@H]1c1cccnc1 1811334513 OWLHQKSLSADKOR-CDMIOBSGSA-N 460.494 0.842 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1812873195 KVNFYEYUPGFECT-GEQKSPFYSA-N 498.561 0.851 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815069727 JKIHHGIIGMWZAX-KBPBESRZSA-N 456.528 0.599 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827048015 YPSYNGULSFOFMQ-GOSISDBHSA-N 468.562 0.933 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1827544963 OFVSNFCNHLVFQK-DLBZAZTESA-N 451.520 0.580 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240727 ZXDHILSRJUXBLD-WDEREUQCSA-N 452.583 0.954 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cccn1)CCN2C(=O)OCc1ccccc1 1829018513 QTSXGGCTLMWRKH-XMMPIXPASA-N 479.493 0.423 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1829690702 DFFGOFGQEJQXEN-RTFZILSDSA-N 480.562 0.364 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1829846098 NGDHBNUBRDXMJD-NWVWQQAFSA-N 492.573 0.630 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COC(C)C)CCO2)C1 1830022491 HEXDJPQVHLQSPK-MBSDFSHPSA-N 467.563 0.784 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1830058018 PODPZLLKFXFICQ-PXDATVDWSA-N 470.570 0.894 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1830881497 YBGZTPBKGHGCQB-AXHZCLLHSA-N 497.589 0.670 30 20 JCED CCOc1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cnc2c1cnn2C 1831215756 TZXSQDPLLCFTJA-DEOSSOPVSA-N 467.526 0.850 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831445154 UNTMPSGKBCWIOT-JOCHJYFZSA-N 468.572 0.048 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1831485004 KPJKCZSTLNOWBO-PXNSSMCTSA-N 471.601 0.510 30 20 JCED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1831837376 WTXYUXXRSGQNHC-GDBMZVCRSA-N 476.603 0.372 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1832111781 PIFYELLOQHSOCB-KKSFZXQISA-N 487.619 0.523 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)C3)C2)CC1 1835346433 ANVRGIJXVZFMIN-STWLZBDKSA-N 468.554 0.382 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN)CCO2)C1 1835551859 YZQBTIWVBXLUJE-VGSWGCGISA-N 452.552 0.098 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682595 MBLHIIGOLDMTQH-HXOBKFHXSA-N 481.594 0.638 30 20 JCED N[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1cccnc1 1835834528 SVWFZUYEJKQJDS-TXHAEYASSA-N 455.515 0.640 30 20 JCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)nc5cccnn45)CC3)CC2)CCC1 1836101196 WALBNTKWTYMAOG-UHFFFAOYSA-N 463.542 0.969 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836477002 QZFKQQLMOCRAAH-IXFSTUDKSA-N 464.563 0.440 30 20 JCED O=C1NC(=O)[C@@H](CC(=O)N2CCC(OC3CCN(C(=O)C#Cc4ccccc4)CC3)CC2)N1 1837115345 KJOONGHUVCTIIB-HXUWFJFHSA-N 452.511 0.635 30 20 JCED N[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1cccnc1 1837442409 XEPMHWOXPLKLCS-NHUJHXEESA-N 458.563 0.400 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837532893 HXZJMXHRJMHXEV-KBVBPZEESA-N 498.577 0.887 30 20 JCED Cc1ncc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)s1 1837533637 YFNYOPGENNOTAO-QUWKVSOCSA-N 466.560 0.979 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)cc1 1837791585 SPBLZRVANCRRCK-JOCHJYFZSA-N 468.470 0.892 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)cc1 1837943612 QSSFYDALEODGGN-HSZRJFAPSA-N 465.466 0.359 30 20 JCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1838126943 LVJROHFRWSHZHA-XTSMJKTBSA-N 450.492 0.836 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)cc4nn[nH]c34)CCO2)C1 1838617732 DVVKJEOKNMHUHS-QKKBWIMNSA-N 461.906 0.720 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)c1 1838633024 RTGYPBAKHTZKFA-HSZRJFAPSA-N 451.483 0.344 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)c(C#N)c1 1839131832 BOSBXVINQZTCJZ-XUZZJYLKSA-N 499.593 0.592 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2 1839138536 GKNDQTMBTYYOKW-DEOSSOPVSA-N 499.605 0.967 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)C1 1839222536 QQQXEHBFQRMERB-VDVULAQNSA-N 453.536 0.833 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1839225264 DKGAHVCGJMVDBC-HJPURHCSSA-N 474.514 0.888 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)ccc1Br 1839401699 WLHMLLAFJGGRGT-HRAATJIYSA-N 491.342 0.527 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488339 MCXNDKBOZUSAJJ-XMMPIXPASA-N 493.524 0.661 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2)C(F)(F)F 1839622381 AQHNGWFMAIIQKE-FQEVSTJZSA-N 471.480 0.907 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1)C(F)(F)F 1839895181 NWJUBWPJZGQTKK-MRXNPFEDSA-N 467.491 0.422 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)CC2)ncn1 1840157477 QILNVYSHZRIZDD-ZHRRBRCNSA-N 479.603 0.476 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840172904 OWHOFCDCUNVVGU-HOIFWPIMSA-N 453.536 0.389 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1840176506 DXLMSGIRCBIPSV-ZEQRLZLVSA-N 473.526 0.563 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)c1 1840182966 MMOPLUFNENTLAI-VEYWIMSWSA-N 473.526 0.999 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)cc1C#N 1840764101 JLOLRKLWQCMMOA-HXOBKFHXSA-N 483.529 0.663 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1840840808 OVGRILXYUIDBFK-QHCPKHFHSA-N 467.563 0.788 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1840844360 QRTCKQOBLBVJQO-UUOWRZLLSA-N 472.542 0.492 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1840906544 FGIYMSVLEPLBAF-GAJHUEQPSA-N 475.546 0.407 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1840917987 ZKLFPGXHPKEPPL-UZUQRXQVSA-N 497.593 0.361 30 20 JCED C[C@@H](c1ccccc1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cscn2)c1=O 497554931 NSAIYBVLMFMPQJ-KRWDZBQOSA-N 495.630 0.927 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CCC#N)CCN3CCOCC3)CC2)o1 502537392 JBVQARPKFILSLJ-UHFFFAOYSA-N 496.586 0.931 30 20 JCED CN(CC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 514501082 UGWYXRBXFMCQSE-UHFFFAOYSA-N 477.568 0.175 30 20 JCED CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2ccccc2O1 516486069 UFOGGSQGYDUQQZ-HXUWFJFHSA-N 462.510 0.922 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C1CCN(C)CC1 518723390 VYPGCLWPMGDBMT-UHFFFAOYSA-N 470.551 0.670 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1cccc(C(F)(F)F)c1 523258406 JJYXQZDQTUXUOH-UHFFFAOYSA-N 491.495 0.976 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 524281337 RFZUYRRLIGPCRD-UHFFFAOYSA-N 463.581 0.586 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OCC)c2)c1=O 603985826 DTJHPDHKNQLERM-UHFFFAOYSA-N 468.579 0.446 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccccc1 604118311 CNWHZSZABAKBIP-INIZCTEOSA-N 497.598 0.957 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(=O)N(C)C 604270197 SMRAVXLUNLSRID-UHFFFAOYSA-N 457.512 0.326 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 608828703 IUKWMLPWVPMUQK-UHFFFAOYSA-N 460.515 0.812 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)c2nnc3n2CCCCC3)n(-c2ccc(C(N)=O)cc2)c1=O 608829013 WDMWJUMVJZMGNU-UHFFFAOYSA-N 486.561 0.601 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1CC(N)=O 608910964 ZQSXIVKUBHAUPR-UHFFFAOYSA-N 495.464 0.180 30 20 JCED N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O 608911210 RZXFSHFGUBHAPE-UHFFFAOYSA-N 496.932 0.961 30 20 JCED C[C@]1(c2ccc(CNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cc2)NC(=O)NC1=O 726170482 VWFGBCJCUGZCDN-JOCHJYFZSA-N 469.523 0.876 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 728534241 HJEFTJGSSUFBRZ-UHFFFAOYSA-N 491.570 0.198 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCn2c(S)nnc2-c2ccc(OCC)cc2)CC1 728608502 DLIHIPJPVANKRC-UHFFFAOYSA-N 456.572 0.916 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NCC(=O)N1CCCC1 857750120 QDLHNQFHTCXLIK-HSZRJFAPSA-N 454.483 0.433 30 20 JCED N#Cc1cn(CCC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c(=O)nc1O 1136474818 IKARCOBDHNHHAS-UHFFFAOYSA-N 457.512 0.975 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc1 1140242165 JBBVNCCFMYCLJO-IAGOWNOFSA-N 450.517 0.733 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)COC)CC1 1286542022 QCSOVSJKLOVSOO-CYBMUJFWSA-N 476.397 0.820 30 20 JCED CC(C)OCCS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1303572548 KWHOWTLDBBDJAU-UHFFFAOYSA-N 489.602 0.782 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1305121833 LEMXTVYFVFKMKQ-HUUCEWRRSA-N 452.523 0.084 30 20 JCED CC(C)C(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1359641820 XGXWAKNLYRBZKH-IBGZPJMESA-N 489.602 0.891 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 1450121805 WAEPTZUVJJCGNQ-ZBFHGGJFSA-N 456.590 0.632 30 20 JCED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 1503679539 QXJMWWXFVDJPQA-PGRDOPGGSA-N 473.603 0.649 30 20 JCED CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1508342216 OIHVZYUEUBEJMT-QHCPKHFHSA-N 453.547 0.900 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC(=O)NCC3CC3)CC2)c1C#N 1612469980 KGBUYWUADPZKBX-UHFFFAOYSA-N 468.566 0.183 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1710269349 URIBIAKZUCJCNF-IPMKNSEASA-N 482.655 0.233 30 20 JCED CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1712101108 PCADEILBZFAVCP-AZUAARDMSA-N 490.586 0.862 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)Cc1ccccc1 1723935951 UPAQTAUZJPPXSJ-BEFAXECRSA-N 484.579 0.945 30 20 JCED CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1746325218 KSACJHUKSRNKPJ-DLBZAZTESA-N 455.585 0.070 30 20 JCED C=C(Br)Cn1c(COCC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749112781 OXVJNZLGGOYBDS-UHFFFAOYSA-N 457.373 0.704 30 20 JCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNS(=O)(=O)CC)CCOC1 1765913834 QZYKUHOVFWCAFB-YLJYHZDGSA-N 467.596 0.046 30 20 JCED CN1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)CC1 1778266272 HBMBONNTNFSGCT-HSZRJFAPSA-N 451.531 0.125 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc([C@@H](C)C#N)c2)CCO3)CC1 1778358420 IZPLGITXWSFVJZ-DFBJGRDBSA-N 467.570 0.921 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1)c1ccccc1 1779184642 UGVSPEKHCJWYCX-UUOWRZLLSA-N 475.509 0.453 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1779400696 QOPRXGKPMFINDM-CIVUBGFFSA-N 454.520 0.586 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780155983 WSONRQWYPNROSG-WEHRJKGCSA-N 471.510 0.138 30 20 JCED CC(=O)N[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)c1ccc(F)cc1 1780533581 HRCOERQBCQKDER-RZFNWQHOSA-N 459.474 0.605 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)N1CCN(C)CC1 1780638944 SXLAKOOEFXMERI-MGFMGXQYSA-N 479.622 0.665 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1781732042 PHULEGCFVVHHMN-CVUHLLMESA-N 468.554 0.825 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2C[C@H](O)CN2)C3)N(C(=O)OC(C)(C)C)C1 1782302245 ZHCZPTPMEDJGJH-IFMYCSEXSA-N 492.617 0.789 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873421 VDDLOKNAQRFTIO-FSTVOOFJSA-N 464.588 0.209 30 20 JCED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1783172553 YVLASLROMBXBFH-KBMIEXCESA-N 490.601 0.993 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)OC)C2 1783268220 DUCVJBAZEIIHFX-YGKZAACZSA-N 480.562 0.773 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COC)CCO2)C1 1783883246 GKUBFWAUJRLINO-AOMKIAJQSA-N 484.550 0.268 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21 1784446528 VPGSCVGIGKUHGP-UHMOLFJZSA-N 462.572 0.788 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C[C@@H]21 1784478195 WAEBLANJHYMLGK-HLXURNFRSA-N 481.590 0.933 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(C(=O)OC)cc3)C[C@@H]21 1784486773 OLIATNCCLLYNEF-LGYWMIHWSA-N 458.511 0.870 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1784784490 CCTKDQPJLNWCTN-TXTZMMAHSA-N 481.594 0.028 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1784785950 JVZSPOCNDUPYDJ-KSWRQPAISA-N 466.535 0.544 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785329015 YGPKMYUDYCHBMF-DUPRYPCISA-N 474.558 0.955 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1785574973 WFTGNPLVECXESG-MBSDFSHPSA-N 464.563 0.065 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1785576563 JXTKTNJWWYVHNO-XDHUDOTRSA-N 472.542 0.954 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1785593827 GVMFILJTMKEBJR-JFOHNERASA-N 480.562 0.348 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)C1 1785596542 ZMSQPFZNASZWIF-ADCHYERDSA-N 494.589 0.437 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3c(=O)n(C)c4ccccc43)[C@H]2C1 1788139349 CKPZHTWKWFKMHR-USNOLKROSA-N 470.570 0.893 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4ccc(Br)cc4n3)[C@H]2C1 1788251679 GFLKWPWQOVJZLI-NOLJZWGESA-N 475.299 0.778 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1788594334 PKHIFYGLPBCMMN-BQFCYCMXSA-N 485.621 0.457 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@@H]21 1789904461 REEORGBLTPBSOU-ATIWLJMLSA-N 453.584 0.112 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)C[C@@H]2C1 1791010865 URINWMPPUKUVDS-IKJLZNBSSA-N 475.542 0.701 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)CC)C[C@@H]21 1792255250 CFGAKJRXBVRSEH-FKSLSLAPSA-N 478.590 0.797 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1792793862 KMNZSMIEXSSZRW-GYSAFQFGSA-N 484.619 0.788 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792833639 IYKSYTDIUPAPGX-KOUHRCEDSA-N 472.542 0.924 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc4n(n3)CCCO4)c2c1 1797437065 ZLHWZAJMYSJZGC-YVWYUNDQSA-N 461.482 0.931 30 20 JCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cn2[nH]cnc(=O)c12 1797815112 IVDHAAMFNGNISI-XVZARHNVSA-N 472.502 0.063 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1800710671 OYCKPWZBSNKZEO-OVYGPGRDSA-N 469.604 0.920 30 20 JCED COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1800849181 PGSFWHMCLBOVEW-BBIADKPPSA-N 493.532 0.597 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2)NC(=O)OC(C)(C)C 1801932025 IJTSBTIYGVLBKT-OGJJZOIMSA-N 477.566 0.683 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)NCC)[C@@H]1c1cccnc1 1802480149 BHRRBRBTBITVRU-DVQZOSTRSA-N 456.547 0.653 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1808280968 YYSIIXCZOAONKO-NVXWUHKLSA-N 453.503 0.884 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1810359654 FGVOHGKDPGGNBH-SXQVKPJMSA-N 472.502 0.168 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@@H]1c1cccnc1 1812873726 DSPPUPDMXBIWNL-MHECFPHRSA-N 490.520 0.211 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814208078 FCXMGECCRYWJBR-JENIJYKNSA-N 472.546 0.672 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)CC2 1814984072 JYUVXGAJNVPPDX-WFASDCNBSA-N 453.590 0.914 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)[nH]n1 1822197095 JMKAHMDBSADIBB-IAQYHMDHSA-N 454.443 0.496 30 20 JCED COC[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828598459 ZXJABNIUTBNMHB-KOSHJBKYSA-N 471.510 0.809 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829123298 GUDNHUNLGZIYBS-DFIYOIEZSA-N 487.601 0.298 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCN2C(=O)OCc1ccccc1 1829212500 MOTVPXIKAUQVIS-AREMUKBSSA-N 493.608 0.852 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCc3cn[nH]c3)C2)C1 1829330679 OCFRVPGJZPRWFJ-RUZDIDTESA-N 493.520 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3ccccc3)C2)C1 1829771123 GVXVHMLZIYBFHE-ORLYXUQQSA-N 457.527 0.769 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830053237 IXHIPXWFQQHWKO-SAHWJRBASA-N 482.578 0.921 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461380 FQTWMNLNSPNMIL-NTKDMRAZSA-N 466.542 0.875 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)n1cncn1 1830464808 UBDOIXBXCUPCGQ-FDDCHVKYSA-N 452.515 0.800 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(Cc4ccccn4)CC3)C2)C1 1831386440 GOIGEBHHJVPXLN-QFQXNSOFSA-N 484.597 0.788 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1831396751 IQMHOZXHYATJSE-HJPURHCSSA-N 473.482 0.638 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1831403001 VEIUUMQZZMRYTJ-FDDCHVKYSA-N 465.547 0.350 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1831404409 MXJFXGFIMPYURY-IECBHUPTSA-N 495.573 0.117 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1832000265 JWFATXSZIBWJBG-NXMSCROESA-N 494.589 0.603 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1nnc(C)s1)CCO2 1833016374 BSLUEOYBJKZMDS-CDFDFNMFSA-N 463.560 0.094 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C3(C(=O)OCC)CC3)CC2)CC1 1833076595 ADAWEGNKJZOTIB-WAYWQWQTSA-N 460.575 0.760 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cccnc1)NC(=O)OC(C)(C)C)CCO2 1833106702 FTZFKNBLEZIUAT-NTKDMRAZSA-N 472.542 0.607 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1833565938 ZLAWVRCAYGVQKH-DEOSSOPVSA-N 498.561 0.882 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833615691 QYWVDMOKEFCUEL-QHCPKHFHSA-N 457.531 0.538 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 1834516844 LFRKOEGDTYKYOM-IBGZPJMESA-N 474.627 0.938 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CCS(=O)(=O)c3ccccc3)CC2)CC1 1834533346 GGQLEIUWXVUEMQ-UHFFFAOYSA-N 475.567 0.510 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@H](N)C(N)=O)CC3)CC2)c1Cl 1834735007 OYFDMIHQWTXMIO-IBGZPJMESA-N 474.993 0.990 30 20 JCED C[C@@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767822 YILSQBLOWHHGIY-FTJBHMTQSA-N 493.564 0.770 30 20 JCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4n[nH]c5c4CS(=O)(=O)C5)CC3)CC2)CCC1 1834913209 BJCXXTOAKIXGTP-UHFFFAOYSA-N 474.587 0.717 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835117129 XALNECZNCKHMFY-HXUWFJFHSA-N 474.693 0.938 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1835496203 RMTITTYMICHVNE-DEOSSOPVSA-N 494.564 0.995 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1835674039 DFRZYWSDACSAET-HSZRJFAPSA-N 454.531 0.866 30 20 JCED Cc1nnc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)s1 1835675552 VZATYMDKPHKICS-OAQYLSRUSA-N 464.592 0.517 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1835767741 OXZKIXDLHRIJGV-BTVXTAIASA-N 476.534 0.602 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835833823 GRSGFQZSVYDSBW-AUSIDOKSSA-N 460.531 0.437 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1836376873 PJFJVUUUMHYDAM-HXUWFJFHSA-N 459.635 0.376 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380967 PUFPZKXZXWMVJE-KUHUBIRLSA-N 457.574 0.015 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(NC(C)=O)cc1)CCO2 1836656942 XWDMSLZQPXGNHD-RRFNBQSRSA-N 484.553 0.502 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837016173 OHVBAKYZFVVUEX-LLAXKVQCSA-N 472.502 0.328 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447870 WUTDBBLVELUBEK-MTJZSOEXSA-N 485.585 0.733 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2)c1ccccc1 1837518424 LHVQSYFSTBAUTO-LLZJGCNPSA-N 485.581 0.291 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1837525924 ABJCSLFFPVELBJ-FYPJQRNGSA-N 460.531 1.000 30 20 JCED Nc1c(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)sc2nccnc12 1837908383 KWIMOOXNQOADTJ-UHFFFAOYSA-N 457.512 0.974 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1838503229 JJOUMHCZEBRGBV-QHCPKHFHSA-N 453.499 0.353 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4N=C(C)CC4=O)cc3)CCO2)C1 1838992584 ATLLWDSUJQFZJW-CLOONOSVSA-N 482.537 0.908 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1839173240 GCXGLWIJGYKRRQ-KRWDZBQOSA-N 484.399 0.307 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839186113 ZZYNNMWDDTVHGF-SBUREZEXSA-N 479.530 0.390 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)c1 1839419840 XMLHBAILXQWWMV-QHCPKHFHSA-N 467.457 0.575 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839435168 POTOQVTUOLVPCI-MBSDFSHPSA-N 455.515 0.928 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)c1 1839451676 INPWZSVWYJHOJV-XMMPIXPASA-N 478.509 0.190 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486213 NLPILAOJEWSIGU-IQMFZBJNSA-N 468.514 0.419 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488361 NLPHAICBANTOMR-KATKFWMUSA-N 473.555 0.663 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839667794 JCPVREWVZINBEU-BVZFJXPGSA-N 477.521 0.842 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839684892 XRTBOQKHPXHUEC-BYUHBYHNSA-N 471.507 0.533 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)c1 1839718261 KNISJMVMBMYLDK-QHCPKHFHSA-N 481.465 0.398 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1839751470 YJJKQEGBPNFCKU-HOYKHHGWSA-N 496.605 0.781 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864707 KTHBLIXCLUABJF-UZUQRXQVSA-N 482.578 0.568 30 20 JCED COc1cc2c(O)cccc2cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044597 NHDQDVZUOVQCRB-XMMPIXPASA-N 468.462 0.712 30 20 JCED CC1(C)C=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CN1C(=O)c1ccccc1 1840086487 VFWHDLZDEMFGLI-AREMUKBSSA-N 495.532 0.392 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840158789 QCBYBMPKUVQDAX-LIRRHRJNSA-N 457.574 0.015 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840364347 XNMLNHYIKFRNJL-UZUQRXQVSA-N 460.531 0.480 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)cc1C#N 1840763149 KYYYEBCFDDWUPE-JOCHJYFZSA-N 469.502 0.102 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)cc1C#N 1840763810 SODMYGZKDZUAJT-HSZRJFAPSA-N 469.498 0.291 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840906717 HZENWGQASKHIGX-KOSHJBKYSA-N 487.557 0.392 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1840907099 PEPJTVHZWJRUKJ-KDLAUNOPSA-N 491.541 0.686 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCN2CCN(C)CC2)C1 1842829304 ASAYZVBJQMJTLW-IBGZPJMESA-N 461.607 0.744 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)C(C)(C)NCCC#N)C2)[C@@H](O)C1 1842920787 ZUYSCEXOZCMBSF-IRXDYDNUSA-N 463.579 0.699 30 20 JCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C3)c(C#N)c1 1845139224 RMTDWAFQNJPMCN-FQEVSTJZSA-N 457.483 0.808 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1847071500 IAVBGRYMSWHBLA-HOTGVXAUSA-N 480.562 0.950 30 20 JCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 110255832 DAMNOKCWPACTHO-KRWDZBQOSA-N 464.544 0.439 30 20 JCED Cn1c(=O)c2c(ncn2CCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n(C)c1=O 481827217 XSUCNNNHHCPKCW-UHFFFAOYSA-N 478.469 0.292 30 20 JCED CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CCC#N 489734880 AIFDMFMBBQGJRX-GOSISDBHSA-N 468.601 0.931 30 20 JCED Cc1ccc(C)c(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccnn3C)c2=O)c1 502054194 BVYVIXVILBVSGY-UHFFFAOYSA-N 492.605 0.201 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccccc1 514645565 NYOXGVYXYZNBMI-UHFFFAOYSA-N 474.586 0.910 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 523256102 UCKXRJPYQHZILF-UHFFFAOYSA-N 496.932 0.672 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CC(=O)N(C)C 604270456 PDJQNNMIJZUXAZ-UHFFFAOYSA-N 460.531 0.565 30 20 JCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 609085377 CPKMYLQCFMNAOQ-UHFFFAOYSA-N 471.420 0.987 30 20 JCED COC(=O)NC(C)(C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 729739148 ZJCYSZPBHHETCS-UHFFFAOYSA-N 452.489 0.069 30 20 JCED CS(=O)(=O)N1CCC(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 918930616 KZPSZAYGVLQPTM-UHFFFAOYSA-N 491.526 0.670 30 20 JCED COCCOc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(CCN3CCOCC3)c1=O)OCO2 920773207 KXUFMJUKQWMPSN-UHFFFAOYSA-N 484.534 0.023 30 20 JCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1290865136 LRLUAFIWFVFCAE-XLIONFOSSA-N 466.594 0.906 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1296290142 YZHIRIANMDBHLT-UHFFFAOYSA-N 452.563 0.847 30 20 JCED C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1359138221 NOFWJBRIBNUOJH-GOSISDBHSA-N 475.619 0.860 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCNC2=O)CC1 1359151322 REGAKZCIKKCVOR-MRXNPFEDSA-N 488.014 0.748 30 20 JCED Cc1ccc(S(=O)(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)s1 1492440218 PTQMJGLCTUGYON-HNNXBMFYSA-N 479.588 0.591 30 20 JCED CCCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514443124 JSFPYQHJLJLLMJ-WOJBJXKFSA-N 494.666 0.519 30 20 JCED CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1547968039 RXTJBGDNCSHZPE-OALUTQOASA-N 476.559 0.787 30 20 JCED CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 1561598802 SCKLIBQPFMUWEW-UHFFFAOYSA-N 456.365 0.753 30 20 JCED N#Cc1cc(Cl)c(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 1629841146 PZBPJZRTVXJTJH-ZDUSSCGKSA-N 459.355 0.926 30 20 JCED CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)CC(F)(F)F 1711212979 TWSAMOMYIOVRKB-HOCLYGCPSA-N 475.541 0.851 30 20 JCED CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1731018260 IKNJWYHUVGIBFH-UHFFFAOYSA-N 486.602 0.257 30 20 JCED C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCOCC1 1741835097 UUWMEYSVGZHTFL-QGZVFWFLSA-N 459.576 0.619 30 20 JCED COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1748330183 ISRSWOYDTMNNQJ-UHFFFAOYSA-N 468.514 0.977 30 20 JCED C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760368806 NXFBZLPWFMWNNQ-MRXNPFEDSA-N 468.967 0.899 30 20 JCED COCC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1769559784 JUIRXRUSVLMPEN-YLJYHZDGSA-N 470.596 0.529 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)cc2C1 1778374374 RWJXVHLAVWMSIN-JOCHJYFZSA-N 458.519 0.991 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065218 PUSSLIIGTHMXKL-XXBNENTESA-N 464.515 0.010 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1779104457 DGEODZSVCBAYPV-WJBWCUNQSA-N 460.413 0.796 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104738 GJFBAQGEQGANSQ-GMSRIDPHSA-N 498.577 0.887 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)[C@@H](O)C1 1780654126 UIWLZZCNIHSGPF-NRVIRDBHSA-N 450.536 0.642 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1781166000 JHKBGYJUIVPESR-NXMSCROESA-N 476.574 0.649 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)CCO2 1781268375 OIZSGBGVFVEJEE-GAJHUEQPSA-N 483.562 0.865 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781321070 RZVJDVMDQFIIRR-YKSBVNFPSA-N 475.542 0.696 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)ccc1Br 1783261470 OBZDSLBXPVRUFP-NRFANRHFSA-N 495.374 0.051 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C[C@@H]2OCC[C@@H]21 1783535438 DETGYVOJJSQGLP-KOAQGZTJSA-N 491.541 0.319 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783568268 FPRFXTDKYNGXAH-HXOBKFHXSA-N 463.531 0.942 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C[C@@H]32)cc1 1783604558 ZBYLMNQERJFFHQ-ZJOUEHCJSA-N 479.493 0.851 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783982022 BPPSHCKXFLQVIK-VLIAUNLRSA-N 490.479 0.411 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)NCc3ccccc3)[C@H]2C1 1784053154 GEUDZVASUPNGDJ-SWUQSOKYSA-N 453.539 0.877 30 20 JCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1785015027 URJBWYIACVBQRT-BJLQDIEVSA-N 487.626 0.920 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CCCNC(=O)OC(C)(C)C)C2)C1 1785568529 GTDWOJGAUVAMBT-UFTUAFODSA-N 464.563 0.980 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CC(N)=O)CCO2)C1 1785592455 BWSHFGRKGILUHK-ZBWOKKAISA-N 464.563 0.797 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccn(C)n3)[C@H]2C1 1787048620 VKRULLVIYXGPFS-LEAZDLGRSA-N 473.574 0.859 30 20 JCED COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)n1 1788631291 IPTSMFLNUFAGSI-ZJOUEHCJSA-N 458.559 0.821 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1788637073 BEGLSZQNPJQNLW-BJLQDIEVSA-N 486.525 0.435 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789769668 GWAIOGPUGBLQKW-DEPCRRQNSA-N 461.559 0.877 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1789883366 OVYXXKAHHOSKHO-BCYZHJNNSA-N 464.563 0.666 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1789911814 AOYXBCNSXPVSAO-BURNTYAHSA-N 486.569 0.973 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(Br)cc(F)cn4n3)[C@H]2C1 1790522709 VQJAOGOLWWGIML-JKOKRWQUSA-N 450.268 0.857 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)[C@H](F)C1 1791072305 ACGMPGOCADMBPS-RZFLPCETSA-N 481.521 0.649 30 20 JCED Cn1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccccc4C#N)[C@H]3C2)cccc1=O 1792145360 WRZRFUKGESNYMH-WFXMLNOXSA-N 450.495 0.929 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C[C@@H]21 1792171389 WGNUIAMAVQYQOC-JBACZVJFSA-N 451.523 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13C[C@H]1CCN3C(=O)OC(C)(C)C)C2 1792490010 DSUSDHLODISQBV-WWFZUCMJSA-N 488.585 0.834 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(cnn3C)c1OCC)C2 1793342912 YRHUBOWNUJLGIA-GGXPGOJBSA-N 455.515 0.609 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N 1795507714 YBDHKZJPRHQGRC-HLPPOEQASA-N 453.565 0.119 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1C[C@@H]2C[C@H]2C1 1797640422 YCZLQUXOKHRLHU-YUDLKVPISA-N 474.602 0.833 30 20 JCED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1798410982 BYQBWLKHNYSMIL-CCWDJLKJSA-N 498.565 0.417 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799370311 UVDRTQVMHIUSNR-OREBXVKISA-N 464.563 0.666 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1799389679 MEXGLLVBUGWWGK-XRNRSJMDSA-N 496.605 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[S@](=O)c1ccccc1 1800209375 HGUOGTJFJMLKHH-AAIWGJDHSA-N 459.568 0.631 30 20 JCED CC(C)C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)N(C)C(=O)OC(C)(C)C 1800778940 WXPWBCLSOKYHTP-AXVVYFOYSA-N 465.547 0.946 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C[C@H]2OCC[C@H]21 1800779058 PBUQKSXZFJUOEZ-XDBFUARMSA-N 491.541 0.079 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCN2C(=O)OCc1ccccc1 1828758719 MJPIRVPSNGXABY-RUZDIDTESA-N 493.472 0.794 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828911939 YLSGMNMOQRVFQZ-DABWLCNRSA-N 481.663 0.808 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1829770027 CAMNEMSOXHWKKJ-GYLQWBMOSA-N 453.499 0.491 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1829845661 FWSVANJTDUIXTQ-URXFXBBRSA-N 456.543 0.862 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1830382855 KNBVJPUOHLEPES-QZTJIDSGSA-N 465.547 0.970 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)C(=O)O 1830467080 SFBASXILOZFTIK-GCJKJVERSA-N 463.918 0.211 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)cn3)C2)C1 1831396954 TXCLAKBWRNOLJZ-QRWLVFNGSA-N 466.332 0.952 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1831997794 GGMZJSWPWFLMTE-CYFREDJKSA-N 489.573 0.945 30 20 JCED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)cccc1=O 1833869988 YCJJTWIRHOBFNH-RUZDIDTESA-N 464.522 0.960 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834380569 AGLJBYKRUBWRRN-MBSDFSHPSA-N 477.562 0.809 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(C)=O)CCO2)C1 1835206210 JNHDBLOCAZBOLM-JTSKRJEESA-N 484.550 0.268 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1 1835731525 XMHQTTHUVMCBEJ-HKOYGPOVSA-N 462.595 0.872 30 20 JCED CC(C)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835887605 GXRAZHDVBCLJPW-QHCPKHFHSA-N 454.531 0.893 30 20 JCED COc1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c([N+](=O)[O-])cc1O 1836130387 CGDTZRQBVVSCID-UHFFFAOYSA-N 474.470 0.582 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn4cccnc24)CCO3)c1 1836848838 VWURENXMIDMZTQ-XMMPIXPASA-N 476.493 0.993 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837321259 KNDYEJWDXMSLTQ-HXUWFJFHSA-N 485.415 0.499 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1837393727 ZZYHDDCIDSRPII-WMZHIEFXSA-N 457.531 0.461 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1837531475 NOHLOWVXTXXMNN-NANPPUGASA-N 467.910 0.729 30 20 JCED COCc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837531708 UIQHMOHHGJQQEL-LVJFVWMNSA-N 464.519 0.760 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)[C@@H](N)CCC(N)=O)CC4)CC3)c2c1 1837841376 DEDLTEXZNUKFNU-IBGZPJMESA-N 481.557 0.640 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnn2)CCO3)c(C#N)c1 1837876109 DFZJRRNHFWTPSL-QHCPKHFHSA-N 451.483 0.670 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3I)CCO2)C1 1837963259 GUVWFJIFDISMFA-MEBBXXQBSA-N 480.328 0.403 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)Cc1ccccc1NC3=O)CCO2 1838442502 GWTQKVFJSQQGMP-QHCPKHFHSA-N 464.482 0.481 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Nc4cnccn4)C3)C2)c1 1838582548 SFGPMFXGQWPJEE-BXKMTCNYSA-N 480.525 0.927 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839072809 SCENBRRLABMNGO-QHCPKHFHSA-N 481.594 0.638 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cnn(C)c4)C3)C2)c(C#N)c1 1839131815 APHDDRAYJVTIOA-RUZDIDTESA-N 481.553 0.932 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5cccnc5n4)C3)C2)c(C#N)c1 1839132521 IJWCYOXZLSKAJX-VWLOTQADSA-N 490.520 0.922 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1 1839175847 IFQPPZDEKZIAJY-GCJKJVERSA-N 453.536 0.257 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1839227112 JVPSWOZPCZPIHY-MQNAVGNWSA-N 474.514 0.978 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839234362 IHNIHRMNTLWPME-VGSWGCGISA-N 478.550 0.204 30 20 JCED CN(C)C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1839401043 NWOLXTGUJULRNU-FQEVSTJZSA-N 479.331 0.479 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(I)ccnc3OC)C2)C1 1839808897 JDABUKDSCUMIOT-GOSISDBHSA-N 485.278 0.398 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1)C(F)(F)F 1839894714 MTQBXCKDXSWSRL-IBGZPJMESA-N 468.469 0.631 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Br)cs3)C2)C1 1840042067 YPXOPJPKVPRPTO-KRWDZBQOSA-N 457.302 0.669 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1840293899 AYLYPMHDDJKQHB-XMMPIXPASA-N 483.525 0.942 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1840295054 SOZGPBZFBQDZDZ-JOCHJYFZSA-N 460.487 0.407 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840371383 FUAMKWCZFMSVOM-YZUZCNPQSA-N 473.574 0.682 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC4(CCCN4C(=O)c4cc(C#N)c[nH]4)C3)c2n1 1844797173 ZUFCJVPGWQUZGR-UHFFFAOYSA-N 491.512 0.843 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1847263093 XNOMMAXHJKGPOS-MLHBBHSESA-N 462.547 0.274 30 20 JCED CN1CCN(c2cc(CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccn2)CC1 499588157 FWBULPISEYCBRR-UHFFFAOYSA-N 483.598 0.921 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)cc1 516406464 OLFKNMIQSOZQON-UHFFFAOYSA-N 466.483 0.006 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(C)c2C)c1=O 518200021 JLJGJFPILIFDLG-UHFFFAOYSA-N 454.596 0.888 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522537859 QWSMGTCGJKROED-UHFFFAOYSA-N 468.560 0.163 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C(C)C)cc3)c(=O)n2CC(=O)N(C)C)CC1 604269907 IHPYQIDJDKNCLA-UHFFFAOYSA-N 495.649 0.789 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CC(=O)N(C)C 604270050 NVTKJLWAXRYPRI-UHFFFAOYSA-N 470.595 0.777 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)ccc2OC)c1=O 725763659 QXGUTMWIXQAKHP-UHFFFAOYSA-N 477.970 0.970 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CC1 728531329 HIEVCJDHQXJEAE-UHFFFAOYSA-N 456.362 0.258 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCS(C)(=O)=O 729672778 HXVNCTNPGAXNBC-ZDUSSCGKSA-N 463.537 0.981 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CCS(C)(=O)=O 729672862 MCMGENABUCPKTA-UHFFFAOYSA-N 497.982 0.364 30 20 JCED CCOC(=O)N1CCN(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 919939297 BTVQPRORVHHRPM-UHFFFAOYSA-N 464.504 0.947 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(CC(=O)N2CCCC2)CC1 920444114 VVCCTDXIXOIOAY-UHFFFAOYSA-N 461.588 0.662 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1=O 1301887522 IYMASCLCWRTFPL-UHFFFAOYSA-N 473.559 0.147 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)c1 1318294161 SSSQIYGMWKLQBF-UHFFFAOYSA-N 456.528 0.066 30 20 JCED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 1517413935 PKUNQSYXCGULKD-OAQYLSRUSA-N 459.576 0.401 30 20 JCED CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1710905420 GAGGVARNKYMRCW-UUWRZZSWSA-N 485.614 0.566 30 20 JCED N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N2CCOCC2)CCO1 1731187201 ZXMBJRWRTPBCMA-ZDUSSCGKSA-N 450.297 0.623 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(Cn2cccn2)cc1 1741944329 MFQFEYFABRQVCS-VQIMIIECSA-N 470.559 0.910 30 20 JCED COCCN1C[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1=O 1769885281 YKIPKHYZSKCTJY-QZTJIDSGSA-N 464.592 0.805 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1770343216 KDKRPZIADROXEB-VBQJREDUSA-N 460.557 0.046 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1779000842 YUAGDTXZJBEMRU-UNMCSNQZSA-N 451.640 0.518 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1779985813 SVBAHYORPRINMK-SSOJOUAXSA-N 477.521 0.979 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1)C(C)(C)S 1781426846 QQEZQCWLKLPMTE-IERDGZPVSA-N 482.607 0.710 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781968325 HDNYHZYQVOVMKB-OFNKIYASSA-N 468.489 0.611 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1783115123 HFYPRHIQDLPTLR-NPMXOYFQSA-N 474.583 0.883 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783178325 MCOWYOKQNGRXCL-HTAPYJJXSA-N 452.552 0.812 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cnc2C1 1783567186 SMJDMMFMEUZRBS-QHCPKHFHSA-N 487.513 0.165 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn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c1nn(-c2ccccc2C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C 1785245285 GPMAQRRLWIYDRU-VWLOTQADSA-N 494.504 0.889 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1785379721 BRPAMUBEJDYWIL-QFIPXVFZSA-N 451.439 0.569 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)CCO2 1785422677 JKPPSBZHFFXMSQ-QHCPKHFHSA-N 452.515 0.423 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1788638770 DWKKMLOFFDVJMA-SNRMKQJTSA-N 456.499 0.467 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)C=C)[C@H]2C1 1788758498 CJXUJFCKNPCKNF-SPOLIRPYSA-N 476.574 0.573 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c1 1792832491 STHOZUXTAKFRKP-UPHUGPLXSA-N 483.550 0.546 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1793387957 WVYJUGSHJZZYDU-BSQBWSPESA-N 471.620 0.902 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)[C@@H](O)C1 1795408465 BPISRHMEUJHOBW-SOWBTEIWSA-N 476.574 0.888 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC1=N 1796026347 DLWKIJWKATWIQI-WPZVUHSISA-N 460.579 0.934 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1Cc2ccccc2C1=O 1797183105 XPRKFEJINGNPNX-BSQMBTRLSA-N 466.538 0.481 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 1797245002 CGXYHYULNTWLAN-BJESRGMDSA-N 483.613 0.759 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1797703733 COIIAQIOMHGBSJ-XHYRXIGBSA-N 495.617 0.767 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1797714120 MDQQTILONVTXCZ-OYNZLANYSA-N 469.579 0.425 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cccn(C(F)F)c1=O 1797992628 PRKMHGFIYVSXTF-JTZIPZKNSA-N 468.457 0.976 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1799231516 ACRFKZFXURETQD-PKRADWSKSA-N 478.590 0.784 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)C3)c1 1799745191 YWLFRSHBNZQVPV-GXNBUGAJSA-N 481.484 0.907 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1[C@@H]1CN(Cc3ccccc3)CCO1)C2 1800454037 ZTNUYFLALJHTER-MNHFLQJXSA-N 475.549 0.887 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1800764818 VQDYZFJXBJQAON-UFPSCSKOSA-N 465.554 0.768 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 1800980292 DSIGLMUMOXGHGF-JONQDZQNSA-N 457.593 0.656 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C2 1804405723 PJOZKVZYODXPCL-COIIOYCMSA-N 463.579 0.687 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1806695912 YRCLPGANDLWGGS-FDDCHVKYSA-N 469.519 0.958 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813176941 HHNRMKYEAARVKF-JTSKRJEESA-N 454.483 0.522 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1814208070 FCXMGECCRYWJBR-AOIWGVFYSA-N 472.546 0.672 30 20 JCED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CC1 1826324839 MTKQQMHQKDJDPN-OKZBNKHCSA-N 461.588 0.700 30 20 JCED Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=N/O[C@H]2CCCCO2)CC3)c(=O)nc1O 1827994617 PGSKMFWTDJKZED-VQEKEWPUSA-N 490.542 0.855 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCN2C(=O)OCc1ccccc1 1828585162 RFEZQOCQAPSIPF-FDDCHVKYSA-N 475.567 0.752 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1829783519 OCFSNPYHULDKAJ-WMZHIEFXSA-N 468.547 0.930 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1830046774 LAZKZVPHIKGRDI-OAQYLSRUSA-N 463.922 0.553 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)c1 1830460477 OJHFQEMTFNBIQC-XUZZJYLKSA-N 483.594 0.974 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1830573734 NWYOXFVMKZBEEI-KSFYIVLOSA-N 466.535 0.022 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830606845 KPPVNCJZJLTPBS-GAJHUEQPSA-N 463.531 0.339 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1831386901 KPXVWBOANKZGLN-BCHFMIIMSA-N 497.548 0.558 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)ccc3-n3ccnn3)C2)C1 1831398698 JCIYGKHZHGDTAM-NTKDMRAZSA-N 467.526 0.684 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)C2)C1 1831398715 JOQNFBBIFBEQKL-WAIKUNEKSA-N 491.497 0.720 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)c1 1832251649 VMGBXXGTXIAQHT-GOSISDBHSA-N 473.379 0.983 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CC1 1835402461 HOSAJNLNAYXRRG-VWLOTQADSA-N 487.576 0.334 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1835750064 CJZAJWZIHMCBEY-UHFFFAOYSA-N 474.646 0.979 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1835768279 WIOHHWBFNORFQJ-JAMLUQCHSA-N 460.535 0.484 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3n1CCN(C(=O)OC(C)(C)C)CC3)CCO2 1836771102 DUIQHLXVVBTGME-XMMPIXPASA-N 487.557 0.380 30 20 JCED Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5(O)CCCCC5)C4)C3)cnn2c1 1836949323 IILKKIMZQVMGFR-VWLOTQADSA-N 481.553 0.806 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492713 PQEJXYMOBMESIF-JXACUPQYSA-N 499.564 0.912 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1837493394 CSPKSYBWJRFLOL-OAQYLSRUSA-N 463.560 0.052 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1837533224 LNGBOLKWNIMJRH-UJKYDTKXSA-N 479.505 0.917 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837563773 ZVNUYKUCALXZLX-NYNQOQISSA-N 452.471 0.511 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)cc1 1838330482 GGULODSYBUVCJI-QHCPKHFHSA-N 464.482 0.025 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838509867 LJZIXPRFOCUKAS-NRFANRHFSA-N 473.559 0.438 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598369 CSQLPFFQYAJABG-UWJYYQICSA-N 480.905 0.346 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1 1838774024 JIKWPRHNRLGZOQ-UHFFFAOYSA-N 472.494 0.939 30 20 JCED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1OC 1838840908 NMDXZCSBYNLPNW-HCFRLYGJSA-N 492.529 0.698 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839223278 RGAWHUWKXZDNQG-HTAPYJJXSA-N 463.535 0.392 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 1839355377 ZJGCJACBVCZEST-ICTHTSFCSA-N 476.461 0.662 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(O)nc(O)c5)C4)C3)c2c1 1839487938 MQSKSMFWPMSIIZ-HSZRJFAPSA-N 478.465 0.625 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N(C)CC)CCO2 1839645000 VJGDUUXGXMTECQ-JXQFQVJHSA-N 480.606 0.700 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839724189 MHWQKIRIAAGNIY-RPBOFIJWSA-N 486.569 0.622 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=CC(C)(C)N(C(=O)c4ccccc4)C3)C2)C1 1839810628 JNZWEQXGTLWSRK-VWLOTQADSA-N 451.523 0.937 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1839839914 QDNNJTMQXCZMPC-PBPSECFOSA-N 460.531 0.661 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1839920118 CZAPDOOVRFAUGL-QGZUEGPWSA-N 454.738 0.671 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ccc(F)cc3F)C2)C1 1840039650 BRSAFXDKYZMWNB-FQEVSTJZSA-N 454.451 0.601 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840362970 ISJYJJOEGVVVLD-ZQNDXDLHSA-N 475.546 0.500 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Oc1cccnc1)CCO2 1840449380 CVFNGFTWJXBWNV-KGPYNAKISA-N 458.515 0.164 30 20 JCED Cc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c1F 1840818754 WATYVNROSHDNQP-QHCPKHFHSA-N 471.489 0.888 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1840819727 BRTKEQZOFGFQHL-DEOSSOPVSA-N 479.493 0.427 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840907388 SZXMPVQMJXLXDC-UUOWRZLLSA-N 489.525 0.626 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1845189793 PVKMACFVHBBFAL-HNNXBMFYSA-N 466.535 0.468 30 20 JCED CN(CC(=O)N1CCCC12CN(C(=O)c1ccc(Br)c(C#N)c1)C2)C(=O)C(=O)O 1845810426 ROEWIWNKFGGWBF-UHFFFAOYSA-N 463.288 0.681 30 20 JCED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1846257527 ZDTBLBBIBAXLHC-UHFFFAOYSA-N 485.541 0.948 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C 1847261531 GUYRSKRSQGRXCN-NEPBSLMDSA-N 486.573 0.906 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 18447230 VYDGCNNPMZPOHZ-GDBMZVCRSA-N 458.558 0.732 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)c1=O 29464108 PEMHYXCTNWSODS-UHFFFAOYSA-N 477.543 0.213 30 20 JCED CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 485897303 ISCYPOHFNGASTQ-UHFFFAOYSA-N 469.566 0.657 30 20 JCED CCCCn1c(Cn2c(=O)c(C#N)cn(C)c2=O)nc2c1c(O)nc(=O)n2Cc1ccccc1 498125325 FZWHSKHWGKUGNI-UHFFFAOYSA-N 461.482 0.927 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 498741114 SAHWMCMBIPPGRE-UHFFFAOYSA-N 455.540 0.723 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 549150426 PMWQHQNWQYVLNX-UHFFFAOYSA-N 494.598 0.719 30 20 JCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCc2nccs2)C1=O 726402968 IHIBNDTZPKBAAL-FSXJBPCSSA-N 467.598 0.969 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577129 JUWIDGGCXOAKLK-UHFFFAOYSA-N 478.578 0.977 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 730564088 HRAYEJDQSFFJGO-UHFFFAOYSA-N 493.607 0.007 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 745339060 FVTLKDXMEUUPRK-IBGZPJMESA-N 486.550 0.025 30 20 JCED NC(=O)COc1ccc(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 745984136 NACIGKUXWIWRPW-UHFFFAOYSA-N 463.472 0.926 30 20 JCED COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 748653066 WPLMUKUMFOXJTF-UHFFFAOYSA-N 488.522 0.980 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 749003592 BQIVJJKDOHGIOV-UHFFFAOYSA-N 466.422 0.413 30 20 JCED CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 769780490 QQRYYMLJAGQLNI-AWEZNQCLSA-N 451.501 0.570 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 893394386 AWLWAPNENYWKDW-ZDUSSCGKSA-N 455.489 0.460 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)CC2)o1 914683436 CVQHHLKHHLLTOC-UHFFFAOYSA-N 466.454 0.412 30 20 JCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCNc2ccc(C#N)cn2)c1 914859339 PFPVPUJFNFTSQH-UHFFFAOYSA-N 458.544 0.942 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N[C@@H](C)CO)cc3)CC2)o1 915478262 GMHSGOZNEGBJJY-AWEZNQCLSA-N 491.526 0.019 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 918823605 JHLZDEYBVHKQSA-SFHVURJKSA-N 490.582 0.764 30 20 JCED C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1288599686 RUQDDJBHXAOVGZ-IRXDYDNUSA-N 452.567 0.841 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCC(=O)NC 1359084857 UTAZOQOTQNLCNK-ZDUSSCGKSA-N 479.401 0.482 30 20 JCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1519524716 WKQCWOZWGVODEV-UHFFFAOYSA-N 466.589 0.627 30 20 JCED C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539770904 RTBBYVPPAGDAKV-UHFFFAOYSA-N 482.998 0.819 30 20 JCED CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1547352630 XUGABTDSSHJWJZ-MRXNPFEDSA-N 452.562 0.379 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCN2CCCS2(=O)=O)cc1 1555991122 PKZYIEJATSBPML-UHFFFAOYSA-N 464.573 0.333 30 20 JCED C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1611774726 KMOOFHDFAJLGDN-IIBYNOLFSA-N 457.560 0.800 30 20 JCED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 1618468465 ZTZXIARSAFVIHH-DENIHFKCSA-N 474.587 0.809 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CCN1S(C)(=O)=O 1620318734 WKEBTWXPACLFTG-INIZCTEOSA-N 470.559 0.981 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C2CC2)CC1 1692847841 HFCNLYSTLFPRPU-MRXNPFEDSA-N 465.580 0.267 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)C1 1705975245 RADLSTOWUYZMMN-RYQLBKOJSA-N 467.596 0.465 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCC(O)CC1 1706880342 RZRHRKIHHXGJIU-OXQOHEQNSA-N 453.613 0.865 30 20 JCED COc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)ccc1C 1729985910 KMILMOTUPOTOQK-HKUYNNGSSA-N 476.559 0.705 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC(N)=O 1740745485 VPBVFJOCLYDPFU-NWDGAFQWSA-N 465.374 0.220 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2ccnn2)CC1 1760374225 KPBDMIPASGKYKX-MRXNPFEDSA-N 470.987 0.872 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1779066838 ILJIBKSUKXXVNJ-SANMLTNESA-N 466.582 0.912 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1779074137 WEHWULBBZUIPJE-SIKLNZKXSA-N 461.446 0.636 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1779099868 NXQKNGIEPMECQT-QOZQDQEPSA-N 456.503 0.790 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1781115214 QYHDTYGBBZPMSJ-IDYYFCTHSA-N 493.605 0.516 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccccc3n(C)c1=O)CCO2 1781269548 ZGEKEMIWALRIQQ-XMMPIXPASA-N 468.510 0.886 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781294508 MHWAUNHQEASHIV-NTKDMRAZSA-N 490.532 0.955 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1781356585 ZZNDSKKNJDDCGR-ZHRRBRCNSA-N 450.536 0.786 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1782787108 LIFHRRSJUZFVDL-QFIPXVFZSA-N 451.439 0.772 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)c2n1 1782885300 GMLWYHMCHWILAA-QHCPKHFHSA-N 496.528 0.260 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1)CCO2 1783050580 XTJDUOCBFBFPTR-NMMYMHLASA-N 455.511 0.612 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C34CCN(C(=O)OC(C)(C)C)CC4)C2)C1 1783453582 NEGVHOGBUNEBKU-SBUREZEXSA-N 474.558 0.213 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1784784513 PNYXZGBXJYAEKJ-FPSMNIFISA-N 477.566 0.683 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)NC(=O)OC(C)(C)C 1785306170 JPNPVKWPKYKXRI-QZMQVMSPSA-N 482.578 0.739 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1785307835 MZZMMWMCDIYVAU-IVZQSRNASA-N 463.535 0.552 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1785578347 XMIIGNZHSORWRE-JLTOFOAXSA-N 490.479 0.411 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](COC)NC(C)=O)CCO2)C1 1785596543 ZMSQPFZNASZWIF-GRJZNYKUSA-N 494.589 0.437 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1786859558 OMUZDHGLBGSTEC-SZMVWBNQSA-N 488.614 0.153 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1788601352 ZFYUXGSHVOZOFA-WVHPRIOSSA-N 456.547 0.263 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789934622 YMKRLCIZVLIOMW-XCDZQEORSA-N 483.606 0.815 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791077748 HIILRFCUFKGMAD-BRHFBXIFSA-N 475.542 0.701 30 20 JCED CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079475 NQUPCIQQLKLPSY-QAETUUGQSA-N 451.520 0.748 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnn3C)C[C@@H]21 1792261918 SYWBWWFMDQAYMN-DWRORGKVSA-N 459.547 0.930 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC1)C2 1792488496 DZMOSFIOBBXBIK-IOAIDESMSA-N 476.574 0.738 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)N(C)C)N(C(=O)OC(C)(C)C)C1 1792630848 YPEBOPXDFBTTJG-ZMMAXQRCSA-N 479.578 0.413 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)Cc3ccccc3C2=O)c1 1793052069 GJXJJUSVMMWLGM-FEJSZKPUSA-N 475.505 0.705 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261368 JWGBVGHYBOOPLF-AXVVYFOYSA-N 463.531 0.446 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)N(C)C 1795905717 LOSOQKQMNWBXAK-YVSFHVDLSA-N 495.577 0.518 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnc2cc(C)nn2c1C 1796926897 KSTDKHLHJOKCNB-CWPLJXCYSA-N 456.503 0.454 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C2 1797706684 NJIUBLSKPOVVCY-MTHXSQLBSA-N 481.590 0.785 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1799259560 WHBKADCRDOAOEQ-YDRXGEHBSA-N 498.577 0.646 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)N2CCCC2)C3)ccc1F 1799325096 AMJHWWGSKRAINV-OPMZPASUSA-N 478.546 0.255 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1799354290 XCKLSSIZBKJJKR-GDQZUHIUSA-N 478.546 0.564 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1800177590 IOYRXNRBCLAECB-KHQYSNIRSA-N 464.563 0.759 30 20 JCED C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1ccccc1C#N)NC(=O)OC(C)(C)C)C2 1800746744 DOCZWUMOBNCUSZ-FSIJUFHLSA-N 486.569 0.964 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1 1800778702 MVWSQHZMWIKCTO-HGKCTWBKSA-N 474.514 0.205 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800800158 UYTUWRZTALOSKM-LVEJAMMSSA-N 481.546 0.071 30 20 JCED CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800906634 YMCVHIWXWDVCMC-YIDVYQOGSA-N 459.609 0.949 30 20 JCED COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1801202931 CKLSQJOJJQETPZ-QHBPRCKVSA-N 455.393 0.531 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1801991712 IZGAGKHVNCRRTM-JAUHRSLLSA-N 466.538 0.928 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCCNC3=O)[C@@H]1c1cccnc1 1802480110 ANKHGHRZXIIFOM-NBBDWSPISA-N 491.552 0.590 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1802488546 YCMILWXYTAEHPZ-BDGDHSELSA-N 463.498 0.149 30 20 JCED Cc1cn(CC(=O)N2CCC3(CCCN(C(=O)C(C)(C)NCCC#N)C3)CC2)c(=O)nc1O 1809776110 FMHHRNGIBQYXMB-UHFFFAOYSA-N 458.563 0.770 30 20 JCED CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)C(=O)O 1810328147 VRQVFNLICGFVTH-NNMXDRDESA-N 456.543 0.849 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)n[nH]1 1815921765 WVBAQFPNTKYPTQ-ABAIWWIYSA-N 454.443 0.496 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1820897707 UNVCKUYXVSYTSY-QGZVFWFLSA-N 451.524 0.198 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1823385643 OYYXFDUCUBHYCH-MRXNPFEDSA-N 465.470 0.904 30 20 JCED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1824506651 WEVWSNHBFJSPAJ-QUCCMNQESA-N 455.621 0.928 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2)C(=O)C(=O)O 1824674601 SNAIDSOREMSLLU-JSVAIXOHSA-N 467.504 0.127 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CC2 1825671946 WAANLUHYZBDBOV-KUDFPVQQSA-N 468.535 0.779 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCN2C(=O)OCc1ccccc1 1829232907 YYUZESXHIFTMDY-CYFREDJKSA-N 452.511 0.693 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)cc1 1829903431 SUCZIBAYLSTNHT-RUZDIDTESA-N 492.536 0.201 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)cc1 1829907271 DYKLKAWAJAKSNK-DEOSSOPVSA-N 495.492 0.327 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830053236 IXHIPXWFQQHWKO-DGGJZMOXSA-N 482.578 0.921 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1830573636 AYGLNBOZBKRVAS-MJTYOFFASA-N 494.545 0.041 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1830805356 JVMKNJANFNTYFH-WEHRJKGCSA-N 469.538 0.739 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4sc(N)nc4c3)C2)C1 1831393717 NUCDVGFPLZLOGA-NYHFZMIOSA-N 458.540 0.987 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1831997947 IURCAFJTEIXJJV-AOMKIAJQSA-N 463.535 0.949 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832004728 LNJAPUJQOREAEI-KHCICDEESA-N 495.573 0.117 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1832458685 VMZXBVWGTARCQR-NRFANRHFSA-N 480.612 0.267 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1)c1ccccc1 1832479162 BKKZZVQRGXQZAY-CJFMBICVSA-N 482.537 0.192 30 20 JCED Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)s1 1833021091 LHHWISJUMPQNQK-XWRADEMYSA-N 464.592 0.707 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC2)CC1 1833073820 IWGYXMZYVRRJOS-BBIZLLLXSA-N 460.497 0.730 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(I)c3)C2)C1 1834765808 VYNQUELPAXLQLT-GOSISDBHSA-N 485.278 0.980 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CN)CCO2)C1)C(C)(C)S 1835555632 UBINLEGNTRJTGP-QRWLVFNGSA-N 460.597 0.003 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1835754148 UIIUYWUDYYYMHF-IIBYNOLFSA-N 465.547 0.091 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1836772486 IOXXEHBTSWNGSF-HSZRJFAPSA-N 490.561 0.675 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837169909 USXVNYGVBZBDPX-CSOJOJLQSA-N 452.471 0.511 30 20 JCED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440724 VUXCZVQBXUAUNX-CXVSFTDESA-N 483.613 0.971 30 20 JCED N[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1cccnc1 1837489520 KQZWDFQOMHUPAF-PXDATVDWSA-N 470.570 0.627 30 20 JCED CC(C)n1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837528390 IPAPWSVGPAONPG-VPUUYJAHSA-N 464.523 0.458 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1838534889 IVYOTVXWNKDIGA-DEOSSOPVSA-N 450.495 0.835 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)cc2NC1=O 1838588358 RPTMYDPMJLMSOG-WNSKOXEYSA-N 454.483 0.780 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1839226074 CQJTWOWRRXIHOJ-AOMKIAJQSA-N 493.586 0.149 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810917 YAFKPWOHPDMZAV-UZUQRXQVSA-N 463.531 0.102 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1840181214 STAFQMZDFPEBLC-YADHBBJMSA-N 479.917 0.897 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@@H]4NC(=O)NC4=O)C3)C2)cc1C#N 1840762642 HGNIXGQYMODJLV-UUOWRZLLSA-N 499.524 0.014 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1)NC(=O)OC(C)(C)C 1840795779 BEOUOZQCYYYNEK-ZHRRBRCNSA-N 499.634 0.929 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840896515 DKFFQHGLUKCQCW-NCFUXCNKSA-N 480.568 0.015 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1840913820 QIGALMMUVWEMBJ-XAQFPSJXSA-N 493.557 0.943 30 20 JCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2nccnc2C(N)=O)C3)c(C(F)(F)F)n1 1843169313 DHHJOAUVTFLCQI-UHFFFAOYSA-N 459.388 0.992 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1ccnn1)C2 1844215538 RIJRQOOCMLUQBJ-MRXNPFEDSA-N 491.549 0.287 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@@H](NC)C(=O)O)C2 1845132039 TYKDGOVBPFAAMV-IAGOWNOFSA-N 464.563 0.949 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1845199283 PEVYTDVITUQMMV-CABCVRRESA-N 463.535 0.647 30 20 JCED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)ccc1Br 1845457763 CQPWCUIXOGLILX-CQSZACIVSA-N 460.288 0.736 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 11674668 UXFLROQKXSWOEZ-UHFFFAOYSA-N 480.543 0.163 30 20 JCED CCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 18662326 KZGLDGJKBVEALN-SFHVURJKSA-N 497.595 0.538 30 20 JCED N#Cc1ccc(N2CC[C@H](N3CCN(S(=O)(=O)c4ccc(S(N)(=O)=O)cc4)CC3)C2=O)cc1 28748973 ZJBRDEJYZGIGNL-FQEVSTJZSA-N 489.579 0.317 30 20 JCED C[C@@H](c1ccccc1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccn2)c1=O 515662923 QDQMZKYKWQBCOU-IBGZPJMESA-N 489.601 0.866 30 20 JCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 516040875 PCRUBVDXRMKJPK-UHFFFAOYSA-N 467.457 0.887 30 20 JCED CN(CC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 523564991 WQKUVDPZQHOQBO-OAQYLSRUSA-N 455.496 0.550 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCNS(C)(=O)=O 589161434 UMNWHGWJTYFZAI-UHFFFAOYSA-N 461.565 0.122 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2F)c1=O 603794996 IHUYKTWJCJYVTD-UHFFFAOYSA-N 463.506 0.976 30 20 JCED CCN(CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1)S(C)(=O)=O 726890228 VKMPWXIVOUYROL-CQSZACIVSA-N 457.578 0.829 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cn1 729031760 QISJHCRSHLLEFR-UHFFFAOYSA-N 459.480 0.888 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2nnc(O)c3ccccc23)CC1 749178579 LYGXSBCNYYUYKF-UHFFFAOYSA-N 495.517 0.826 30 20 JCED CN(C)S(=O)(=O)c1ccc(OCCOC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 760632692 MCWHMFVZYZPTKR-UHFFFAOYSA-N 467.525 0.709 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 858005711 XZDBWNMWXRWTPR-HUUCEWRRSA-N 493.563 0.668 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@@H](C)C(=O)N3CCC(C(N)=O)CC3)nnc12 913163470 OIJQOBPKXGLAGN-AWEZNQCLSA-N 498.565 0.978 30 20 JCED Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 916783514 GTSFKYWUGSCQBS-OAHLLOKOSA-N 467.573 0.995 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1 918238713 MIPLPYIGNKYORJ-PTGBLXJZSA-N 451.549 0.276 30 20 JCED CCCNC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1294851645 KCFSOHAADKTLAO-HNNXBMFYSA-N 450.503 0.837 30 20 JCED CN(CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 1306835032 XQRFFTLLRJRRLF-UHFFFAOYSA-N 454.505 0.413 30 20 JCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1611214165 UCKONEOGONUUSL-OAHLLOKOSA-N 453.528 0.856 30 20 JCED Cc1cnn(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c1 1612343068 JHXJXWBDTQTBKJ-YJBOKZPZSA-N 452.516 0.258 30 20 JCED COC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1)OC 1697754217 OEAHIRCKDZCBLZ-SJORKVTESA-N 464.548 0.586 30 20 JCED Cc1cccc(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)n1 1707609273 KYAHRGHVPXRBRY-OALUTQOASA-N 475.575 0.676 30 20 JCED CNS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1711418989 VMBICNGANMDWOJ-KRWDZBQOSA-N 475.575 0.688 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC2CC2)C1 1724010428 JGDAXMRSWGIBBK-OXJNMPFZSA-N 465.580 0.267 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779394158 MYNCYICJXONWCJ-QKKBWIMNSA-N 476.490 0.678 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1779979235 OMTNIPFFXBGTAT-VMXOYPLMSA-N 453.499 0.581 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780021051 WVOOIBGXFJIYJY-QFIPXVFZSA-N 457.487 0.284 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CCO3)cc1 1780699981 KOKDAOAWBYDSCZ-GLDPYIMESA-N 497.577 0.182 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1780735140 JEOAOAGVWDELCP-CBGDNZLLSA-N 473.592 0.338 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1781354477 UNLIMZUHWNXBIT-AOMKIAJQSA-N 461.519 0.606 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781373209 ZQFXUBDTPBQOLK-SAHWJRBASA-N 462.547 0.354 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C1CCOCC1 1783566018 VVHXNUVNMJORJT-HOYKHHGWSA-N 493.557 0.614 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1)C(C)(C)S 1783777368 BLAWXZWDKZIRFF-ZHRRBRCNSA-N 495.602 0.815 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1783862979 VJTAQLNVMRGTFA-VRGKNRPHSA-N 470.592 0.542 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1784021056 ADOLIQASAPUUKX-BOCKYXSRSA-N 452.515 0.967 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCS(C)(=O)=O)C3)C2)c(O)n1 1784742284 BEQPCRORHJAMPL-OAQYLSRUSA-N 451.545 0.784 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)c4cccnc4)[C@H]3C2)cc1 1785168076 VBLPHORNCWCWKL-FKBYEOEOSA-N 461.522 0.905 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1785375569 DJCYDLRNHHDLHU-DEOSSOPVSA-N 465.510 0.915 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1785573324 ZTRHUQRESUEWSZ-BXKMTCNYSA-N 488.541 0.048 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C[C@@H]21 1788573402 WPPLTWLKAPWMBG-VJANTYMQSA-N 460.575 0.840 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=N/O[C@H]5CCCCO5)[C@H]4C3)cc2C1 1788660983 STBGDXPSBRAZCS-FDOMHEKLSA-N 488.589 0.841 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc5ncccn5n4)C[C@@H]32)c(C#N)c1 1789842055 SRQPODXTGZGNKK-VDGAXYAQSA-N 475.509 0.841 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C)[C@H]2C1 1789944474 DFVJITZDXJVTIM-OYSTVDSJSA-N 476.574 0.504 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSC(=N)N)C[C@@H]21 1792257962 QSUPFAIXSSMAHA-JONQDZQNSA-N 467.592 0.509 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)C(C)(C)C 1792921505 PKWCQVICMHJMQP-ILOCAZANSA-N 451.564 0.900 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(O)nn2)c(C(F)(F)F)n1 1794563776 MTWQJGPNESOEJU-CULMDFNYSA-N 462.388 0.985 30 20 JCED CC(C)(C)OC(=O)N[C@H](C[C@H]1CCOC1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795081342 YWVLRRDSKAHFRK-OGJJZOIMSA-N 450.536 0.810 30 20 JCED O=C(CNCP(=O)(O)O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1795518754 DKSOWCCJTOZBAQ-CCWDJLKJSA-N 455.835 0.006 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O)c1ccc(O)cc1 1795637852 OOWHMRSGFAYDFL-UGLIKIROSA-N 456.543 0.072 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795968705 LKFKLNIFZXTYPL-UPHUGPLXSA-N 452.515 0.183 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1797872694 FVIHKWYYAFSEQY-RMYQPGKMSA-N 462.510 0.564 30 20 JCED Cn1ncnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236509 QBIBBWRZHWBAHF-BJWYYQGGSA-N 487.561 0.559 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1799390094 WJKJRXNUCSRNLW-SIRPWMCASA-N 456.540 0.263 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1800987073 FUYGZMYCBWCLGB-OVYGPGRDSA-N 469.604 0.920 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2)NC(=O)OC(C)(C)C 1801930907 YWYVUFHOVRMLRY-XQPJFTJZSA-N 496.605 0.587 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1)C(C)(C)S 1812983690 DYEMXAWHMUJXLY-XMTFNYHQSA-N 494.662 0.975 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1 1814436200 MMOYRFTXDIKFPV-MWWKQMNYSA-N 466.502 0.514 30 20 JCED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1815213217 RNURQJYIKHYNKV-GOEBONIOSA-N 498.544 0.440 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCN2C(=O)OCc1ccccc1 1829177237 YXBKMVLNKSBPRO-HSZRJFAPSA-N 464.482 0.749 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCN2C(=O)OCc1ccccc1 1829212503 MOTVPXIKAUQVIS-SANMLTNESA-N 493.608 0.852 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1829260253 KSBVBUQIVBWOSP-QHCPKHFHSA-N 480.481 0.877 30 20 JCED CN1CCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330989 WDZVJSWIZSJOGG-NBGIEHNGSA-N 482.537 0.621 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1829342266 IBSCJSUPTDHTFE-ZWWNWMABSA-N 476.555 0.865 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1829770383 MSWJGIQUXXQICU-YXSMGJEKSA-N 460.487 0.166 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1O 1830246162 GFKVSFIBXLEVFB-QHCPKHFHSA-N 454.483 0.913 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1830466561 FMNDNTQNEIMXRF-QHCPKHFHSA-N 459.930 0.770 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)Nc4ccccc4)CC3)C2)C1 1831387694 JEKSQCLYZYHDLS-NTKDMRAZSA-N 469.538 0.900 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1831387802 KYRIQSIQQGBHEO-GSHUGGBRSA-N 453.536 0.394 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1831406195 ZJFVFTJXGOPFGZ-QHCPKHFHSA-N 451.564 0.828 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832749293 GVQRUEYTIMVKMN-JTSKRJEESA-N 460.556 0.857 30 20 JCED COc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1833003281 RSUTUBMZOJZFAU-NHVVDLMHSA-N 473.574 0.951 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)COCCOCCNC(=O)OC(C)(C)C)CC2)CC1 1833353122 GHYMEKWBCUYBJH-UHFFFAOYSA-N 480.606 0.749 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1833451720 ZQFJDVSFRQOCRR-INIZCTEOSA-N 453.609 0.580 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)ccc1F 1833498212 YAXWZQXCMVTQFE-QHCPKHFHSA-N 483.456 0.498 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n(C)n4)C3)C2)c(O)n1 1833696838 PTWJHFKEIGKPNO-QHCPKHFHSA-N 471.514 0.729 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834622774 YUWAKOPPNGGMKF-UHFFFAOYSA-N 469.586 0.841 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834679442 BTFBHZRESCHBEL-VOIUYBSRSA-N 491.637 0.510 30 20 JCED CC(C)(C)OC(=O)NCC1(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)CCOCC1 1834755864 KQKAZFSUKPPBQB-QHCPKHFHSA-N 480.562 0.678 30 20 JCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1835440116 LLEBVSXGDVTEBR-UHFFFAOYSA-N 452.621 0.643 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)C(=O)O 1835752190 OUEPYGHCGNKGRA-WMZHIEFXSA-N 458.515 0.010 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4nc(C)no4)CCO3)C2)c(O)n1 1836067622 CLAVIPGXUXVTPD-QHCPKHFHSA-N 471.514 0.910 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn4cccnc24)CCO3)c(C#N)c1 1836848860 WQWUWOBUXHPZLJ-VWLOTQADSA-N 490.520 0.922 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C3\C(=O)Nc4ccccc43)CCO2)C1 1837321751 VCSASCLEKABDOD-HDGYKEOTSA-N 453.495 0.517 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1837396915 OPXAWRPSHHMQDO-WZONZLPQSA-N 460.531 0.683 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524487 BXFSUZYQNNWLJU-GKGWASKHSA-N 498.577 0.885 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1837526996 IANSBTUBSYHFRC-OBKNTDCBSA-N 450.467 0.820 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837531292 HNNGYHHBKSPRFK-KNLNTATMSA-N 482.534 0.501 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837674307 XGTKOOLDVQIPKS-VGSWGCGISA-N 451.568 0.029 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837677773 DJDYVIMTEQUWME-IQGLISFBSA-N 486.569 0.871 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-c4ccncc4)[nH]n3)CCO2)C1 1838009462 MYCMJJZPOMSYIY-HXOBKFHXSA-N 453.499 0.580 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1Br)CCO2 1838073026 UBVZWBJJTSGIEA-QEVIJRNUSA-N 493.358 0.773 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CO)o4)C3)C2)c(C#N)c1 1839132764 OAGIJPUYSCRWOT-DEOSSOPVSA-N 469.494 0.965 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1839174905 CMRJCVTXWMMKAH-JPYJTQIMSA-N 461.515 0.375 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839274443 YQHBGWBVTUWRCA-IFXSCVBMSA-N 492.485 0.899 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)ccc1Br 1839401240 UBSPMGROIODJHA-HXUWFJFHSA-N 489.330 0.682 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839453438 KZOXNDBIPBZJRD-QFIPXVFZSA-N 459.572 0.421 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839861662 FFHMGNABSLUBQT-OPAMFIHVSA-N 468.551 0.178 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1840026734 UJAYPIQIPWBFMS-BSRJHKFKSA-N 467.563 0.520 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1840082363 QBKIACKEYQOQLM-RDGATRHJSA-N 498.617 0.907 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840158785 QCBYBMPKUVQDAX-IFXJQAMLSA-N 457.574 0.015 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1840170294 WJJKSDHBXIGIKF-QFIPXVFZSA-N 458.540 0.999 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840879718 ZROMHGQMEGFIFD-YDIMBITNSA-N 479.574 0.786 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840885247 VICJHTVAYSLZML-JHQANNODSA-N 469.535 0.561 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1CC(=O)C1)C2 1844215547 RZIPEHOMWPKKCX-QGZVFWFLSA-N 478.546 0.974 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1845130429 RNTPXPCDUPQNHO-HOTGVXAUSA-N 475.546 0.485 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847108511 WROYUWHDPLGIDA-GOSISDBHSA-N 484.557 0.866 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@H]1CCCCO1 1847436395 QEAQOTNSNUNYPS-YXFWYPRNSA-N 472.542 0.897 30 20 JCED CN1CCN(S(=O)(=O)c2ccc(N/N=C3/C(=O)Nc4cc5c(cc43)OCCCO5)nc2)CC1 17419131 XMOMRWHSNDKLIC-UHFFFAOYSA-N 472.527 0.947 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522537458 JJPLCHCHGJIXLY-UHFFFAOYSA-N 498.561 0.550 30 20 JCED COc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cn1 552734781 RMKBBZCFOKXUAI-SFHVURJKSA-N 455.496 0.600 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592988097 LQHQTYXFNAHLBK-UHFFFAOYSA-N 450.499 0.941 30 20 JCED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)c2)c1 603721219 ZRCGOIRHLGGHPN-LJQANCHMSA-N 484.534 0.885 30 20 JCED CC(C)OCCCNC(=O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 728525627 ZIGKQMXXDCEQDK-UHFFFAOYSA-N 450.561 0.895 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)CC1 728532591 DBSPKJMNTXYBDR-GOSISDBHSA-N 459.572 0.178 30 20 JCED COc1ccc(CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc1S(=O)(=O)N1CCOCC1 729119239 PUUWQGQTBOAPPX-HNNXBMFYSA-N 453.517 0.562 30 20 JCED Cn1cnc(S(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1Cl 746432277 YGYQJEWKJKGGLR-UHFFFAOYSA-N 471.948 0.851 30 20 JCED O=C([C@@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCSCC1 747440246 AIESANDMTHRFDY-AWEZNQCLSA-N 454.599 0.592 30 20 JCED C=CCn1c(=S)sc2c(=O)n(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cnc21 913600906 RPVLSPASXLXTHJ-ZDUSSCGKSA-N 469.614 0.506 30 20 JCED CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1152663580 KMGZBPBTLKMWPW-HNNXBMFYSA-N 456.590 0.791 30 20 JCED C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)c1ccccc1 1301009772 OPNKIDIDBZYNIQ-SFHVURJKSA-N 460.560 0.651 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1303472789 PTEUFCXAZLTOMF-YJBOKZPZSA-N 462.532 0.847 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359150968 JQOCOVIJICGKSC-ILXRZTDVSA-N 458.972 0.611 30 20 JCED CC(C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359641405 NPLVYDXACUEKHV-SJORKVTESA-N 453.551 0.931 30 20 JCED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1515098006 YPATZZIMCRSOKC-UHFFFAOYSA-N 466.546 0.917 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1589405271 QBMHOXKLZQPKKW-UONOGXRCSA-N 464.386 0.992 30 20 JCED N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)nc1 1636787306 ZJPALFWOCVCVRZ-WBVHZDCISA-N 450.904 0.926 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN(C)CC(F)(F)F 1692793657 IJEWDQQDCIZWJF-GOEBONIOSA-N 492.572 0.949 30 20 JCED CC[C@H](C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1727079540 KHFKNVBPFFBEJL-YESZJQIVSA-N 455.585 0.070 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778908205 IXHQWPAIOIXKII-ZJSXRUAMSA-N 464.607 0.647 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134807 PVZWOYXHEGCAOD-OQTBRKRWSA-N 464.519 0.414 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139068 KUUCKIBARLURIC-CUKRGZBSSA-N 450.492 0.372 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1)c1ccccc1 1779184641 UGVSPEKHCJWYCX-MHECFPHRSA-N 475.509 0.453 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779303402 DLGKOAUEQDXZBB-QDOIMOTRSA-N 477.562 0.846 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781354542 WMOMWYDEJMYWTR-ACOPQKDGSA-N 498.577 0.621 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783142833 SEXNJDVSVAOTHE-WZONZLPQSA-N 464.563 0.649 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C2)C1 1783722651 KJYKTPDLQVQRHO-HTAPYJJXSA-N 498.001 0.877 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C[C@@H]21 1784485821 RNNHWYDKWYZMOV-URYASSDKSA-N 461.471 0.941 30 20 JCED C[C@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)C(F)(F)F 1784874920 TUMIIKQYHZMPMH-ADFPHKFISA-N 451.442 0.808 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)[C@H](O)C1 1786367442 LVDCIUVHMUBLOF-CKBXSBTMSA-N 464.563 0.888 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1788638937 RUNVTXROCFLLMK-YVEJANNUSA-N 492.550 0.962 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1 1789258809 UVSJCDDECMWZPE-PRIDNEQBSA-N 460.487 0.225 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 1790792531 QMRMQZRNOHICHM-IEZWGBDMSA-N 457.531 0.860 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)C[C@@H]32)c1 1791985436 RYFDUIDBDUHLON-QZHFEQFPSA-N 453.499 0.459 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793419300 PGXRVEKDGBXHAR-ADHGMGHFSA-N 478.546 0.381 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1793595098 KMUOCNAMOHHXPU-ORDFZIBCSA-N 468.551 0.108 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@H]1Cc2ccccc2CN1 1796372007 TVYARDGHMUVUHT-LEYOYVDXSA-N 456.543 0.820 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797836841 BTIBVMIMKMWIBG-NUBYAOTGSA-N 490.557 0.924 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H](O)CN2)cc(C(F)(F)F)c1 1799140773 MFVBCAOVJWBAGT-YFUQURRKSA-N 452.433 0.503 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)[C@H]2C1 1800723053 DNZUZCLPEBMPSE-ACDHPSKBSA-N 462.547 0.762 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801036603 YACFQOFQGGHFPF-FQLMCAECSA-N 490.479 0.171 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802021266 ABJQVVUJQHRHSP-LXTVHRRPSA-N 451.476 0.169 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817653711 WJTYQRKSTXOEMO-BPUTZDHNSA-N 475.502 0.860 30 20 JCED C=CCSCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829044448 LVJYAEOMUKUNHW-CVDCTZTESA-N 475.615 0.644 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)C2)C1 1829762968 VFYXGJGUXXOCBZ-YLKSCKIRSA-N 494.589 0.462 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(F)c3)C2)C1 1829765291 SBTLBVHHDFSXES-UZQCKINESA-N 463.481 0.822 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC)c3F)C2)C1 1829773832 XBIYPYYWLSTPRN-XBKFQHLESA-N 461.490 0.763 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1830056635 JMJSSLOXLDQQRV-HSZRJFAPSA-N 453.499 0.785 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831697520 ZQRVAAJEFYUISN-QHCPKHFHSA-N 460.506 0.930 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832101180 MWKKIDRMMMVTHS-BTYIYWSLSA-N 461.544 0.136 30 20 JCED COc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1832823871 JJXGPNBPGDVNDD-CFUMORPUSA-N 473.574 0.951 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833396420 IATXQXYWZSUPQA-HRAATJIYSA-N 467.544 0.146 30 20 JCED CCc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c1Br 1834758704 VDROKAIKQBCBSZ-GOSISDBHSA-N 454.325 0.729 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)[S@@](=O)c1ccccc1 1835682435 IVCIOTGYOIMGRI-LULJZHJSSA-N 490.626 0.921 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cnncc3C(=O)O)CC2)CC1 1835920419 LLYDDFOKTUQANL-LJQANCHMSA-N 459.547 0.933 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380715 CJCMXFJWEPAAMD-HTAPYJJXSA-N 496.586 0.497 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836628805 CWKWBXDTXLFWEY-QGZVFWFLSA-N 455.552 0.765 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1)c1ccccc1 1836674254 LYWPTLVKTYBQPQ-IGKIAQTJSA-N 482.625 0.887 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CN(Cc5ccccc5)CCO4)CCO3)C2)CC1 1836685907 WRLNZIKIHNHVMZ-BWKNWUBXSA-N 468.554 0.648 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1837565070 LAACCKSDJOZVQL-FZZUMWNJSA-N 455.511 0.759 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1)c1ccccc1 1837613078 VHCJDWCMJKFMTB-NZQKXSOJSA-N 462.568 0.685 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccccc1=O 1837686843 LWOSZIWCTIPWSV-CPJSRVTESA-N 471.554 0.564 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837704505 WSUIJDQVMFSAOF-GAJHUEQPSA-N 456.499 0.084 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1838195236 KGDVUTVWGITBGT-VWLOTQADSA-N 470.570 0.916 30 20 JCED Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1Cl 1838307972 FHEOKTBAZIRAPV-XXZIPLLVSA-N 469.926 0.673 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c([N+](=O)[O-])cc1O 1838601572 PISKZZMETHODQW-BLVKFPJESA-N 455.489 0.697 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738998 HXFLVFSJQWHLCD-FDDCHVKYSA-N 491.545 0.232 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1839175512 NSDSHUMGMIGVQZ-AXHZCLLHSA-N 477.558 0.353 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1839225297 DZTUGIHIJYALQX-JTSKRJEESA-N 473.534 0.612 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(=O)cco5)C4)C3)c2c1 1839488013 RCPZJEZPBCDGNO-QHCPKHFHSA-N 463.450 0.772 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839959742 UFRXETLYXZVOJL-ATIYNZHBSA-N 470.566 0.745 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN)C2)C1)C(C)(C)S 1840111029 RACYTRLQMFJDNU-FOIQADDNSA-N 460.597 0.003 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)ccc1F 1840204542 HVFXTYGJQQJNDA-HXUWFJFHSA-N 486.422 0.375 30 20 JCED CCOC(=O)N(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)Cc1ccco1 1840340488 NHUKDKVNAJACJX-QHCPKHFHSA-N 474.514 0.998 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)cc1 1840406661 HVEDYRGGOGNNKR-HSZRJFAPSA-N 451.483 0.426 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(=O)c4ccccc4)CCO3)C2)c1 1840800334 OBLYFTIBNRGRJB-DEOSSOPVSA-N 465.510 0.776 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812559 XHDPTAHBELQHBU-SBUREZEXSA-N 480.562 0.412 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1840819452 LTVHURLHVOMBEG-XMMPIXPASA-N 476.493 0.979 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=COCC3)C2)C1 1840908307 IXIRDIIEFZXGBQ-FDDCHVKYSA-N 463.531 0.664 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2 1841054474 FKJIVTGBZGVCHC-QWGSZXSUSA-N 450.536 0.588 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=N)N 1847685003 VYFGVGQVTSTUQG-FHWLQOOXSA-N 483.573 0.679 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1=O 33144484 DCPIRKNSQDJYHW-KRWDZBQOSA-N 494.552 0.913 30 20 JCED COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 494520387 PDHGRAISABXGOW-UHFFFAOYSA-N 492.579 0.630 30 20 JCED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCNS(C)(=O)=O 524281262 NXGYOEGVORQKSZ-UHFFFAOYSA-N 492.579 0.876 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc(OC)nc1 608884357 GKGIFBMVGKOMCZ-UHFFFAOYSA-N 454.508 0.860 30 20 JCED Cc1ccc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1S(=O)(=O)NCC#N 609412641 YSHAQEHCSWIODF-UHFFFAOYSA-N 455.540 0.854 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc2c(c1)OCCO2 619538745 PQIXUEPHOUEHNH-UHFFFAOYSA-N 493.541 0.944 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)C1=O 726042274 GDSFAWFKASGDFL-ZDUSSCGKSA-N 482.371 0.813 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn(C)c3)c2=O)cc1F 726583951 KFXCTXSPMLPSQT-UHFFFAOYSA-N 453.499 0.906 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Br)CC1 728589538 GTRNKTYYPLMXME-UHFFFAOYSA-N 492.779 0.945 30 20 JCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c1=O 729672712 DDJRVOLBHIFZLA-UHFFFAOYSA-N 451.545 0.430 30 20 JCED C#CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 731115085 WVHXVPUGXBBJTQ-UHFFFAOYSA-N 478.552 0.884 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)N1CCN(c2ccccn2)CC1 748241470 HBGVXNVWYOORRO-UHFFFAOYSA-N 484.582 0.755 30 20 JCED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)Cc3cccc(C#N)c3)C2=O)cc1 750414048 HOKBPHCHYVJXRS-NRFANRHFSA-N 456.480 0.980 30 20 JCED Cc1nnc(N2CCN(C(=O)[C@@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1C 1164187038 JTNCXTKCRQIPOB-QGZVFWFLSA-N 459.576 0.926 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1298327722 YHFFTDJOELPTKH-RBUKOAKNSA-N 476.559 0.534 30 20 JCED Cn1cc(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cn1 1554336695 JSGQGHVEGCRHEC-APWZRJJASA-N 466.543 0.419 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)NC 1613586162 IYLZFBNWNNDEKO-UHFFFAOYSA-N 488.618 0.944 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2OCCN2CCOCC2)cc1 1631271166 VALXWLSJWKZYNQ-UHFFFAOYSA-N 458.540 0.864 30 20 JCED N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC1 1698491890 RGYUEBZOXPHMSO-QGZVFWFLSA-N 450.565 0.559 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1706935838 ZNEPQJNZVYNBEI-FRQCXROJSA-N 470.621 0.734 30 20 JCED CCc1nn(C)c(OC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1709015119 OUVQSBUAWYWMLH-KPZWWZAWSA-N 454.532 0.683 30 20 JCED CCc1nn(C)c(OC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1709015121 OUVQSBUAWYWMLH-SGTLLEGYSA-N 454.532 0.683 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1N1CCOCC1 1730762826 MXDSDIUCDXWISB-GOSISDBHSA-N 454.535 0.876 30 20 JCED Cn1c(=O)n(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c2ccccc21 1779100848 FBIZAFLSTPNJGS-VJURZPCMSA-N 485.541 0.699 30 20 JCED Cc1cc2nnc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)c(C)n2n1 1779101793 QHQOGCWJFJPZSV-BPRFCRFOSA-N 471.518 0.714 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781293622 WNMMQWAYQHVJKA-SBUREZEXSA-N 457.483 0.467 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1781311478 XHWBWPLVSMJBTC-PDFGSZSQSA-N 486.569 0.410 30 20 JCED COc1ccc(Br)cc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781462767 DIHMTJCOYAUYBP-IBGZPJMESA-N 451.273 0.989 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCS(C)(=O)=O)C1 1782720153 PLTNWICTDLOGEG-PMAPCBKXSA-N 499.630 0.852 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)COc3ccccc3C#N)C2)CC1 1783135327 ZXODJPPVZQLSHC-ZEQKJWHPSA-N 497.596 0.615 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cnc1I 1783557658 PFNLGKOJIJZROJ-GOSISDBHSA-N 499.261 0.226 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCOC)C2)C1 1783666969 SVFHQUJXLHUGFL-JOCHJYFZSA-N 456.536 0.395 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783771234 PBGPPELZZJESSP-MWTRTKDXSA-N 476.530 0.211 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1784784509 CGJSFPNXMZRVMV-MPTYRVRUSA-N 491.545 0.951 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785465133 WTUBJWHZMAIPLG-XZOQPEGZSA-N 463.531 0.942 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1787473145 BSDNOWPBEOEUNX-AZYCVXCNSA-N 459.547 0.460 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)no1 1788670275 WKBIOSDTMCZFSD-SVIHLCMZSA-N 457.487 0.405 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344006 ALBYKPBIEVWRIV-TXTPUJOMSA-N 487.557 0.850 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072626 NHLGHEBZRNODAM-DSFVOBFGSA-N 463.531 0.844 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)S)[C@H]3C1)C2 1791264341 HDYBSWLSIWTOMG-IWSXDTNSSA-N 464.588 0.920 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21)c1ccc(O)cc1 1791336925 UZDSQZNEBPEWEG-KJBBBAAKSA-N 487.597 0.156 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)[C@@H](O)C1 1792452043 NKOILIDMFVQCFU-MTHXSQLBSA-N 476.574 0.888 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1793824452 MFMRQHDPAJNGON-KRXQYRFLSA-N 470.592 0.264 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H]1COc2ccccc2O1 1793840729 WCARZGXPXJNTTR-DWYPJILISA-N 459.499 0.945 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C)cn1 1794704890 QDOJTOIAEIQQPU-SFNKJDCFSA-N 457.531 0.905 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C[C@@H]1CCOC1)NC(=O)OC(C)(C)C 1796448839 PCEHMMFSIFROLB-JRBOJVLQSA-N 493.601 0.934 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1797864536 JAMOJIMBZPUYHK-GJPCKUABSA-N 476.537 0.689 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694804 LQKQFYKDCLXJAP-LORHWOILSA-N 489.529 0.546 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)c(N(C)C)c1 1799208400 LSQSRCRWSOMBQD-ROAZTASUSA-N 456.543 0.823 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799238014 SXOOZGHTNNGSJO-WMIGDMCZSA-N 478.571 0.027 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)CC1 1799325527 KZYWVAWTHBOGSH-HATOLVCRSA-N 492.573 0.501 30 20 JCED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799327147 ZIUSAXQUMJUBNS-IRJINJETSA-N 477.533 0.899 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCCCNC(C)=O)NC(=O)OC(C)(C)C)C2 1800454786 BWJFNNWOEKEPGI-DMUMMCEESA-N 464.563 0.409 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1800973658 LKHJMGWDMLIPOZ-GFAJBQDWSA-N 463.531 0.748 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1802126528 IFELVJBPDYJNKN-RDGPPVDQSA-N 475.590 0.774 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1803500867 ABOCFOBVXPKMQN-ZCLLRTIWSA-N 477.587 0.274 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCCC3(CCN(C(=O)C#CC(=O)O)CC3)C2)C1 1805655854 KMBKIPPNLCDHSV-KRWDZBQOSA-N 463.531 0.942 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)[C@H]1c1cccnc1 1807148928 BBLARLPEONBWQK-KPDCDPCYSA-N 459.547 0.985 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)[C@H]2c2cccnc2)CC1 1809668751 KPYXBZMBGJSSKX-OZXSUGGESA-N 495.624 0.950 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1819905019 PCGMRRUJCJOBRF-JOMRGWSKSA-N 467.548 0.235 30 20 JCED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC3)c1 1821595133 DALFKDIKLQNHPJ-ZDUSSCGKSA-N 462.557 0.299 30 20 JCED COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)c(C#N)c1 1825327737 PDLDTCYVPWJPKD-KRWDZBQOSA-N 487.582 0.465 30 20 JCED C#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CC2 1828098608 CFINLLXFQBOWPF-VHDGCEQUSA-N 475.596 0.649 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1828579599 IKLOASVNCYJNAD-BVZFJXPGSA-N 495.536 0.353 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cnsn3)C2)C1 1829331118 ZFFMNRFSCKVHBT-JOCHJYFZSA-N 483.506 0.692 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C3)C2)C1 1829670652 HKKNJPYBAFJXLN-FDDCHVKYSA-N 467.563 0.685 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(C)(C)C 1831088161 FQHJXJUKRVUMLY-ISFHEQCHSA-N 462.547 0.706 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3COc4ccccc4O3)C2)C1 1831387420 HWDHEBXOCYCDAR-KHCICDEESA-N 458.511 0.711 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3-c3ccccc3)C2)C1 1831393615 YWLQUFSPWAVIFI-DVECYGJZSA-N 452.511 0.981 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1831431823 GZLKLTVWRKVZHE-WAIKUNEKSA-N 458.515 0.940 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cc1C(F)(F)F)CCO2 1832197950 CZTXVDBVXXLAOI-HXUWFJFHSA-N 472.391 0.931 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)c1 1832381254 ZQYWQBIVEGYEAJ-QHCPKHFHSA-N 453.499 0.545 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833074929 HGYGLSJRDIILKE-BIBPLMRRSA-N 458.607 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3nn(C)c4c3CCC4)CC2)CC1 1833075124 VQHWQNNPSGDVCJ-FPLPWBNLSA-N 468.602 0.952 30 20 JCED CN(C)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1833663445 XXTGRIMRZCCUPE-VWLOTQADSA-N 470.570 0.916 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c(O)n1 1833696318 CMYJKMZTXGDKAY-XMMPIXPASA-N 484.509 0.689 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834766033 SYEBNTZYOGGCFN-HSZRJFAPSA-N 475.546 0.897 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)cc1C#N 1835399742 LJMZIQULLHRFSG-RUZDIDTESA-N 486.569 0.748 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1835642248 LBGSCVFKRFVSEE-IIBYNOLFSA-N 490.548 0.896 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CCNC(=S)NC)CC2)CC1 1835741628 ILRZUZOMRYZGNO-UHFFFAOYSA-N 467.636 0.551 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1835754309 YPIDJNPQWHNQPL-IERDGZPVSA-N 467.563 0.644 30 20 JCED NC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccccc1 1835816370 JCTBIHWPVSMUCQ-NVQXNPDNSA-N 469.582 0.884 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(C(=O)OCC)ncn3c1)CCO2 1836256320 LOHWQBYFVVRKAW-XMMPIXPASA-N 468.510 0.994 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CSCc3[nH]cnc3C)CCO2)C1 1837330618 QUTRPONXVSKFSF-AVRDEDQJSA-N 466.604 0.981 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837499229 HBYRKLXRJYELSO-NFBKMPQASA-N 473.482 0.123 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837646747 BRBQUEXKCPKYGO-WZONZLPQSA-N 452.515 0.750 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C1 1837661352 HGAHDZUEZQCDKX-DYESRHJHSA-N 459.609 0.763 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)CC2)CC1 1838371760 KGTAFGSZIMTGBY-QHCPKHFHSA-N 455.467 0.808 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595708 ZAKAKPGQGGRKBB-VFNWGFHPSA-N 498.989 0.609 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]1O3)CCO2 1839085925 RVBSORDWFHDWGF-OIMFZILRSA-N 463.531 0.100 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)CC)CCO2)C1 1839828245 KVKIXBPXLHYDJA-ZHRRBRCNSA-N 453.536 0.891 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1839890047 DKMAMXBTTDNOCH-KKSFZXQISA-N 466.485 0.868 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839898841 AKXFMVKVBFBXOU-SBUREZEXSA-N 493.557 0.313 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1840160471 IAYUSVBIBHEBSI-IERDGZPVSA-N 450.561 0.307 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)c1 1840180477 RJXUCFUKZKBJNW-XZOQPEGZSA-N 475.498 0.253 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)c1 1840480961 WLHLWRMCWBCMFJ-HYFFOGBASA-N 453.503 0.631 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1)NC(=O)OC(C)(C)C 1840795566 PLXUHDZCAIYDGC-FDDCHVKYSA-N 468.595 0.864 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1840806119 NJPUAOCLTKMSRA-QHCPKHFHSA-N 466.579 0.572 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCOC2)CCO3)c(C#N)c1 1840877049 MINAVLGAOQKMOP-NTKDMRAZSA-N 457.527 0.992 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)CCc3ccc(C#N)cc3)C2)n(C)c1=O 1841005182 XVEKVJSBIIBVAX-UHFFFAOYSA-N 489.536 0.142 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1nc[nH]n1)C2 1844215569 UTPUJNZUHAQKLN-CQSZACIVSA-N 477.522 0.427 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197121 WJJHMGGXEAGDKN-MRXNPFEDSA-N 461.515 0.551 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 16559273 NTSRZNGDARJTFP-OAHLLOKOSA-N 493.563 0.150 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CC1 303174830 BYIUFKDVBISDDP-ZDUSSCGKSA-N 455.378 0.913 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522538497 IVKQSYSGEKYMFF-UHFFFAOYSA-N 496.614 0.780 30 20 JCED N#Cc1cccc(C(=O)NCCS(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 603939605 XVYQTOOTGCJKTR-UHFFFAOYSA-N 451.508 0.948 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2Cl)c1=O 729674086 AXCBBOHUABNFFS-UHFFFAOYSA-N 451.957 0.389 30 20 JCED CCCCn1c(N)c(N(CCOC)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(O)nc1=O 905455041 DAYBDDWTEYEKDE-UHFFFAOYSA-N 478.531 0.049 30 20 JCED CNC(=O)c1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cn1C 917750289 MYEIWYMHGLAFAZ-FXBPSFAMSA-N 453.546 0.998 30 20 JCED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 918406049 DBHHYPOXCHVNHO-UHFFFAOYSA-N 468.539 0.441 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(F)cc2)C1 1302485496 SBPWASYQBLGLLF-MSOLQXFVSA-N 464.523 0.722 30 20 JCED N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 1478476385 ISCGFONWVGVANJ-UHFFFAOYSA-N 456.547 0.829 30 20 JCED COc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555125209 ICENVCPVIZEBHV-RHSMWYFYSA-N 460.564 0.517 30 20 JCED C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCOCC1 1611510972 IQUWBBCOPPXMGG-KRWDZBQOSA-N 459.576 0.619 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1637499482 WOWGGEQJNVGFCU-ZBFHGGJFSA-N 456.590 0.680 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCNS(C)(=O)=O 1752282109 TXQABPKTHJXKQF-OAHLLOKOSA-N 461.596 0.793 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)C3)C2)c1 1778055363 OUZYRCMFWMPKIL-QHCPKHFHSA-N 472.465 0.528 30 20 JCED N=C1NCCN1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/C(=O)c2cccs2)C1 1778096710 JKVYZHKQAYYSHJ-WREJSRDGSA-N 459.572 0.841 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n(-c2cccc(=O)n2C)n1 1779016944 VZESZZVTXSIVJP-HLHNIQGOSA-N 495.584 0.795 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC5(O)CCCCC5)C4)C3)CC2)CC1 1779066132 DJSIJAKSAQLDAL-XMMPIXPASA-N 458.603 0.295 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)[C@H]1SC(=N)NC1=O 1779101517 MJEHUKOJMZAZJY-CVAHSSGISA-N 467.548 0.148 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)cc1 1780939190 VGHUBMOHNYFFGU-HSZRJFAPSA-N 465.535 0.907 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)CCO3)c(C#N)c1 1781172398 OMLDOOZFTMDKBD-HLNIAZEUSA-N 485.566 0.742 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](N)Cc3cccnc3)CCO4)c2c1 1782195830 KXNOPESSJRGQIF-CYFREDJKSA-N 459.510 0.843 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)cc1 1782787310 NOBJHMLDLSGMIZ-QHCPKHFHSA-N 465.466 0.966 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1783765910 UVSOZKVBEPRPGC-IIBYNOLFSA-N 473.592 0.720 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)N4CCOCC4)C[C@@H]32)c1 1783913465 OZFPWAOJYMQMOD-VVSUKSJXSA-N 456.543 0.121 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088404 DOAJUGGTYQDNJY-GAJHUEQPSA-N 479.578 0.653 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)n(-c4cccc(=O)n4CC)n3)C[C@@H]21 1784482067 DOWHAGVBNRFDIK-XWUOBKMESA-N 495.580 0.994 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn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c3ccc(C#N)cc3)[C@H]2C1 1789573522 TZLFGUNVULHZBN-CGBFIWBNSA-N 458.515 0.995 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1)N1CCN(C)CC1 1790143310 GKHZDFYPAMCCRH-PVSGBFIBSA-N 453.587 0.982 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(N)=O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1790853963 MGWKLOMHQBOTCP-XSLAGTTESA-N 464.563 0.797 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)[C@H]2C1 1792272738 VPJHIAWORBXLBS-VPAKFMSCSA-N 481.590 0.669 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 1792490503 CJSKQCHUDBTCDG-PKPDMIBBSA-N 468.470 0.533 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)(n2ccnc2)C1 1795083239 FYOORJSKSGRXBG-ZQYRFBGISA-N 472.546 0.722 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)=NO2)C1 1795083670 NOEWQQCXZRQOBH-WHZNHKCRSA-N 461.519 0.646 30 20 JCED CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccc(Cl)cc2)C3)CC1 1795443632 FZEFXOGGJCDWEF-IRJINJETSA-N 458.990 0.919 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994699 YRYUPVKWNZWYIX-DLTLXFJOSA-N 483.447 0.326 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Cn1cncn1 1797903373 OEKYMXWLIGDPMT-CVCXRRAZSA-N 488.589 0.973 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O)c1ccc(O)cc1 1797972401 ZGYUXXRDEXFKEK-CXXHRNMOSA-N 471.554 0.630 30 20 JCED O=C(Cc1ccc2ncnn2c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1799082598 FOEUUQWGIOPLDC-BBIADKPPSA-N 451.527 0.560 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#Cc2ccccc2)cc1 1799613628 RIKHIKQESZWVEY-AANQFLQQSA-N 474.561 0.882 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800525439 JBPXTXLXMQJENG-NRUGXNMXSA-N 464.563 0.572 30 20 JCED CC(C)(C)OC(=O)N(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C1CCCC1 1800776116 SKLLLDFRAFESTK-VPTLXERWSA-N 463.531 0.844 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2)NC(=O)OC(C)(C)C 1801931080 BUEYZAXONGLOPN-QOSLBHJFSA-N 464.563 0.714 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2)NC(=O)OC(C)(C)C 1801932015 GVDXQPUGIWKEBE-ISIBIEBGSA-N 464.563 0.572 30 20 JCED COCCOCCOCCOCCOCCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2 1802092337 ICJRVZFRYBLMCI-KOUNCHBCSA-N 499.605 0.658 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)NCC)C2 1802125666 MUCUBMFLUCDLKU-UYTYNIKBSA-N 479.578 0.200 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CN2CCSCC2)[C@@H]1c1cccnc1 1802440320 GNXQWKGELMSXRZ-QFZALXNFSA-N 457.600 0.995 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1802579322 BHNWJDRATKSIPQ-KNQAVFIVSA-N 463.494 0.745 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2c2cccnc2)cc1 1804191445 BPEPQGDDPNCIBJ-WIOPSUGQSA-N 495.605 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807738424 QDIIMULTSQSRAG-YYUNUBRSSA-N 498.565 0.411 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CNC(N)=O)[C@H]2c2cccnc2)c(C#N)c1 1808176378 GTFKVXWVVDBLEV-VGSWGCGISA-N 450.499 0.879 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1810357962 XAAMYWPEBRDNBV-ZXNWMMIKSA-N 494.512 0.661 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c(C#N)c1 1812718019 YEWCYGDKXVNLLI-HFZDXXHNSA-N 495.580 0.497 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@H]1c1cccnc1 1812873725 DSPPUPDMXBIWNL-KOSHJBKYSA-N 490.520 0.211 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1)C(C)(C)S 1812983621 BXTPYPBIILEBIH-BZUAXINKSA-N 482.603 1.000 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)cn1 1816099073 OEMRPWJCNKXYJL-LBPRGKRZSA-N 462.509 0.397 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1(O)CCCCC1)CC2 1819468054 NDABXMVFITYIPN-ACJLOTCBSA-N 464.544 0.818 30 20 JCED N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3CCS(=O)(=O)CC3)[nH]n2)c1 1820304420 FBQFFMZYZPDROO-KRWDZBQOSA-N 459.532 0.646 30 20 JCED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1825248562 ZFQNQQAZSRNQCW-GFCCVEGCSA-N 462.544 0.997 30 20 JCED COCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828530035 MGTBYECILATDMH-DEOSSOPVSA-N 471.510 0.953 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1828595636 UZSLAMCDTIUBGZ-HXOBKFHXSA-N 455.515 0.864 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)N(C)C)CCN2C(=O)OCc2ccccc2)C1 1828931427 ABYKLEXQRIXJKJ-UQBPGWFLSA-N 484.553 0.565 30 20 JCED NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1828963623 FXHJVLFUOACQDC-SMXJJXQCSA-N 487.557 0.926 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCN2C(=O)OCc1ccccc1 1829138080 RMLXCYYZSOAPFU-HOYKHHGWSA-N 452.511 0.762 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)cc1 1829630830 CJNOCDXAMITZQB-RUZDIDTESA-N 480.521 0.970 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](C)S)C4)C3)CC2=O)c1 1829639224 FOPMLRKTPRCIRV-YGKZAACZSA-N 477.583 0.823 30 20 JCED C[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CN1C(=O)OC(C)(C)C 1829693528 KUIMVWSLTOKTLW-QZTZHPFYSA-N 493.557 0.566 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@@H]4C)C2)C1 1829766121 MUKITSKYHVNOJL-BVWLXGEFSA-N 457.531 0.388 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1829766319 RFAOYTBYGYKDRX-VRWDYKOXSA-N 471.510 0.386 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1830050116 KEESJTZQTNBFNH-KDLSMAQYSA-N 454.527 0.865 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CC=C)NC(=O)OC(C)(C)C)CCO2)C1 1832001287 RUCLENYPDZVJRO-AXHZCLLHSA-N 479.574 0.951 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832354216 RYHYLDKUZDDATL-KHCICDEESA-N 461.559 0.272 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1832456705 WFSOIVHTAXUWCU-OAQYLSRUSA-N 460.560 0.730 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC1CCN(C2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1833238710 SZRHLBQQDFFEFX-UHFFFAOYSA-N 496.932 0.988 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)c(C#N)c1 1833833984 GRXBFWOLQIHZTI-HSZRJFAPSA-N 467.482 0.375 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1833865122 YOEQBFAMBJGECN-HSZRJFAPSA-N 479.497 0.560 30 20 JCED O=C1NCCCn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)cc21 1835099951 YAZKBFXGFGYFLY-VWLOTQADSA-N 477.521 0.138 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)[C@H]2C1 1835362447 LFSRECSIVPXGAI-PLOUGOBLSA-N 492.573 0.628 30 20 JCED COc1cc(OC)c(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1F 1835492061 TVACICNLXPJJRD-OAQYLSRUSA-N 468.409 0.140 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642163 JDBFTWGFILCKGO-BXTJHSDWSA-N 460.597 0.003 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCSC(=N)N)CCO3)cc1 1835643407 BIEQECLIELSQLB-QFIPXVFZSA-N 459.572 0.964 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CC[S@](=O)CC)CC2)CC1 1835653076 AWQAANKVVFQIAK-QKZGEJFESA-N 452.621 0.575 30 20 JCED CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1Cl 1835673961 CDXQIJJOHBEQHK-NRFANRHFSA-N 466.970 0.977 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1 1835680679 NTTCANBQJAKMOV-JOCHJYFZSA-N 460.535 0.227 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835730014 ZFIZVHNTAISNFM-BIBPLMRRSA-N 458.607 0.888 30 20 JCED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835739142 VCIYDBYKZZWTER-KOEQRZSOSA-N 465.668 0.514 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835768691 CIVVWDVTPPPOFT-TUXZPHEKSA-N 481.594 0.238 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837016047 KOFSBPQUJFPFIW-DEOSSOPVSA-N 467.526 0.498 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1 1837446576 DIOSSMWSEKZJND-YABZZONLSA-N 485.585 0.653 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837531126 WUCRCUAUIAHBCA-NOIVPASESA-N 472.502 0.557 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837770677 JCDOEIRKKMVJMB-OPAMFIHVSA-N 469.485 0.887 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1837844336 MAKDPKJPZGYWCL-GOSISDBHSA-N 478.594 0.385 30 20 JCED CCNC(=S)NCC(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869362 LNYDDCDURWNDOC-UHFFFAOYSA-N 466.652 0.751 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccnc2C)CCO3)c(C#N)c1 1838216725 CBHRAIRFXWKHCU-XMMPIXPASA-N 465.510 0.978 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838763011 YBSGVTUFBSQMDO-WBMJQRKESA-N 451.471 0.848 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839130774 TVTKZPHALJFAKJ-ZYLNGJIFSA-N 490.601 0.668 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)c(C#N)c1 1839132889 UWYROSHLDCCDHE-HSZRJFAPSA-N 453.499 0.532 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C(N)=O)cc4)C3)C2)c(C#N)c1 1839133584 XNDCIKCFGQMNGX-SANMLTNESA-N 492.532 0.978 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186188 FXOWMZOOJFOLLK-NFOSPISASA-N 459.474 0.816 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839560368 MGCMADJIPSUHPH-HSZRJFAPSA-N 454.531 0.686 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C1)CCC2 1839582856 QWKBBLPAJNHYNW-AMFJNGDOSA-N 455.515 0.691 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1839899402 WLJAIQASOFQVGI-JOCHJYFZSA-N 457.483 0.347 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Br)cnc3Cl)C2)C1 1840042172 FPZOTMRWGRBBFP-SFHVURJKSA-N 486.706 0.656 30 20 JCED COc1cc(F)c(Br)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043716 PVABMQBTPSXLBH-FQEVSTJZSA-N 499.289 0.755 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840159815 OHEAPVNOYPDJGH-IFXJQAMLSA-N 457.574 0.015 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840164567 APURUPYJFCELDG-ZYLNGJIFSA-N 493.601 0.864 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840798330 LKFWOQYAZVSKMO-RHGYRFJNSA-N 493.557 0.614 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840807774 SYNNOHLCEZIHFT-JPYJTQIMSA-N 460.531 0.482 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815062 UUZGKVXJHCIULZ-UZUQRXQVSA-N 480.562 0.412 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)nn1C 1840819860 KEMAYOMZNNOVQS-QHCPKHFHSA-N 469.498 0.449 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1840844314 OGZGNQCGSMAPJM-UOUMEPNKSA-N 461.559 0.969 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1840909046 LQELMJCXRBXDPY-HXOBKFHXSA-N 473.530 0.463 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1840912342 DIKUHAPJTAWNFX-ZGNKEGEESA-N 480.562 0.000 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NS(=O)(=O)CC)C1 1841583685 JHBUVJWZYMVYBU-WJONJSRFSA-N 484.619 0.987 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 16226228 ASYODNISVSZFGY-UHFFFAOYSA-N 493.563 0.880 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 110269081 SOOXOTFRDRWSEL-QGZVFWFLSA-N 464.544 0.752 30 20 JCED N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)c(F)c1 504971593 UJZQIEPTEVBKGF-UHFFFAOYSA-N 471.514 0.780 30 20 JCED C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 522537923 STOMGOFVLLXJMS-FOIQADDNSA-N 490.589 0.929 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 523476370 GITQKFQUXHKSPQ-CQSZACIVSA-N 460.512 0.509 30 20 JCED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccncc3)c2=O)c1 603495303 BKOFIGSZEKCGBW-UHFFFAOYSA-N 475.530 0.614 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c(Cl)c1 604270533 WXLCQBSBOFHKDN-UHFFFAOYSA-N 462.959 0.688 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(Cl)c(F)c2)c1=O 604472876 SNEQQCCYGLNYRK-UHFFFAOYSA-N 462.934 0.916 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)ccc1F 609220687 AWTGENINQPESKS-UHFFFAOYSA-N 480.587 0.182 30 20 JCED Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 730015119 LGEWIKBKCSXJES-UHFFFAOYSA-N 473.467 0.860 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1 760634848 YHYRNBNRTWIQBU-UHFFFAOYSA-N 485.522 0.756 30 20 JCED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 916942858 OGICGQLSYPPCLU-OAHLLOKOSA-N 466.454 0.348 30 20 JCED CCC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918463271 PHXOBMHLQMVHCY-NKFKGCMQSA-N 463.560 0.909 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 918605172 WVWDGPQIZIALPQ-KRWDZBQOSA-N 475.571 0.089 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCOCC1 1286971206 ZUXVEQFPDIYELB-DLBZAZTESA-N 469.612 0.318 30 20 JCED COCC[C@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1504749001 KNMVDQLKFJOSPQ-UTKZUKDTSA-N 478.575 0.712 30 20 JCED N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N2CCSCC2)c1 1521082784 MXYAFKZJWYCCJT-SFHVURJKSA-N 473.584 0.924 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(C(=O)N(C)C)c1 1541946577 XWWUKASKZLIHTE-MAUKXSAKSA-N 475.575 0.562 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(=O)(=O)CC 1593885164 LKNDAQXUGRMYHO-CYBMUJFWSA-N 455.990 0.234 30 20 JCED CN(C)C(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617606621 NXMCZLWUMYZKRD-UHFFFAOYSA-N 451.535 0.472 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CCO1 1618709776 NCJZHACHSZWIGX-NRFANRHFSA-N 481.557 0.938 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H]1C 1619936833 TXKZQFMIAJXWSP-GOSISDBHSA-N 453.547 0.832 30 20 JCED CCN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1710142923 VUEHPZOHQLWTRR-QFBILLFUSA-N 472.637 0.982 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1710989433 LVCRNCMVRZLOSB-IBGZPJMESA-N 485.614 0.852 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1731018987 QIEJBEADHSHOEG-UHFFFAOYSA-N 457.560 0.815 30 20 JCED C[C@H]1C[C@@H](C)CN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)C1 1762729798 SLHKJBDXMFHYQO-XMTFNYHQSA-N 453.613 0.985 30 20 JCED CCNC(=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CCC1 1767194298 TVCVVEXBQPZOPU-JKSUJKDBSA-N 467.596 0.513 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1771534193 QJZFHKCXNWXBPW-SFHVURJKSA-N 479.584 0.931 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)CC1 1778356681 OVHMMAIOGKWOTJ-XMMPIXPASA-N 479.541 0.042 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1778973087 ZCANULDVTJWNCE-CYFREDJKSA-N 460.527 0.852 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019167 MWOSTQAZSPYFRR-LZJSLVMGSA-N 481.594 0.564 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779245834 OYEPLLTYIPKANW-WZONZLPQSA-N 467.530 0.784 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1779423040 YMROFKBATWGULL-BTXBEIMCSA-N 464.479 0.974 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781487328 NMNMRCVVSXFSDF-HYBUGGRVSA-N 465.510 0.708 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(I)c(O)cc1O)CCO2 1783053021 SJNZBPXKLXGOCE-QGZVFWFLSA-N 456.236 0.779 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1783173174 LNPSLLNSZUZMKI-BLVKFPJESA-N 453.421 0.940 30 20 JCED Cn1ncc2c(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cc(Br)cc21 1783567397 ZNFYPYNRDDRHNX-FQEVSTJZSA-N 475.299 0.867 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783779974 OPFHFQQQLGGJKW-YGHRGLEHSA-N 486.635 0.930 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783835524 HYGFTXVNDZZAQJ-SXGZJXTBSA-N 493.648 0.463 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784741345 LTYQGPMYXXXJPV-HRAATJIYSA-N 473.592 0.720 30 20 JCED O=C(c1nn[nH]c1C(F)(F)F)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784917557 RJQFOUIYBZXZEP-FXQIFTODSA-N 491.320 0.772 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785244947 BHOOVUKZKOZHTA-QFIPXVFZSA-N 476.555 0.455 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCCS3(=O)=O)CCO2)C1 1785596568 LUZOZAXDBHQAOF-ROEJJBDBSA-N 497.614 0.863 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)n(-c4cccc(=O)n4CC)n3)[C@H]2C1 1787154167 YFLVWKNOJNXTNE-XWUOBKMESA-N 495.580 0.994 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1788571275 FPNPIMHSCGXSDY-QIJZPMMNSA-N 499.612 0.574 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603859 VXDXVCJNDLUPGR-VPXHAUOJSA-N 451.568 0.963 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)N4CCOCC4)[C@H]3C2)cc1C#N 1788656581 ZDSJCYPIVVLQDP-XZFMWLAQSA-N 486.569 0.589 30 20 JCED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21)c1ccccc1 1788704530 FIBHRAYPFYRYTL-TUFLPTIASA-N 466.538 0.715 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)N4CCN(C)CC4)[C@H]3C2)c1 1789798533 SYUBVXDCBNEPKJ-UJFGGOPNSA-N 469.586 0.796 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC)[C@H]2C1 1791478470 HJBXMEDHAFLAPV-DAWKRRPCSA-N 480.562 0.792 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C[C@@H]21 1792261964 UNLQUNDFKCBDFP-KNJMJIDISA-N 462.591 0.977 30 20 JCED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CNCP(=O)(O)O)c(C#N)c1 1795965856 QYUWECVEWVHOTM-BJWYYQGGSA-N 450.432 0.472 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994577 NWKANJHGIDPERJ-JRATXPSKSA-N 465.432 0.866 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)CCC 1797930928 JAOWADVCACITGP-IPLXSBJHSA-N 478.590 0.797 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1799334931 ZUUVOJORQDUEDF-YDLBFBONSA-N 498.580 0.973 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1799349801 GKMZCIQCVRQEHV-DMUMMCEESA-N 469.579 0.835 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(c2ccc(F)cn2)CC1 1800289877 NQZAFKRDUVKYAV-PVOANONBSA-N 485.560 0.885 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)CCC1 1800298351 BKGYJIAECMPBOU-WIYBCGNWSA-N 452.555 0.905 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3cc(Br)ccc3c1=O)C2 1800451180 ZMVIQFZIFPMGHU-DBWKPXFBSA-N 459.300 0.382 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC 1801201001 OXNSNYGXVCOFEY-IVSAIRAKSA-N 454.524 0.401 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cc1 1801657881 YMYPDNSEMTVCRN-YRPNKDGESA-N 484.553 0.905 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2 1802124613 CGTKBLPURBYZTN-KRXQYRFLSA-N 459.503 0.302 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)cc1 1807025256 AHVJMYWKPWXHDP-ICSRJNTNSA-N 457.427 0.998 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1808430845 CGYRBOQJBDDPBN-SIKLNZKXSA-N 492.598 0.327 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CSc2nc[nH]n2)[C@H]1c1cccnc1 1813344316 JHZGHUNKZNGYDJ-AQZVRURSSA-N 455.544 0.856 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1819845504 DLTPCZOEYRDYHD-YWZLYKJASA-N 462.572 0.404 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828520953 LXPKGJYVLPREEY-JTSKRJEESA-N 465.572 0.704 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O)CCO2 1829692017 QXLLSUIYYLYIFG-LQGLAIQGSA-N 493.601 0.864 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1829692887 ZXAJDJNYPOZXDX-GKVQRAMASA-N 494.589 0.755 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1829771098 DZBKVOFIQIKVRD-IYZQMXKPSA-N 453.499 0.263 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1829773458 KEBKAYXTMUXQPU-RRFNBQSRSA-N 485.537 0.331 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C3)C2)cc1 1829902676 XZZZGVDLVQWIPZ-HSZRJFAPSA-N 499.549 0.022 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)C2)C1 1831387429 HWHZABZRMDVNEO-CLLPOLLNSA-N 491.585 0.879 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1831419864 RAEOHZDQUVLYMQ-VUMVONDWSA-N 495.573 0.612 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1c(C)noc1C)CCO2 1833060581 MXAJIEKTCWBEEX-SJEJWHSFSA-N 460.531 0.539 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833207863 YXSNCRDXURCULB-HXUWFJFHSA-N 450.927 0.482 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(Cl)ccc1F)CCO2 1833238501 BKQXXQUCHAQQIU-QEVIJRNUSA-N 466.897 0.803 30 20 JCED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1833509395 HQLFFJFXJHRTGB-QHCPKHFHSA-N 451.483 0.935 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnn(-c4cccnc4)c3)CC2)CC1 1834004755 LYTZHSHFGSGTSW-UHFFFAOYSA-N 450.499 0.541 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)CC1 1835682234 CRZUDJFMRZEGPR-OAQYLSRUSA-N 450.536 0.068 30 20 JCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837436581 WVVFMJFWXIRAIM-LQMXFJIOSA-N 485.585 0.944 30 20 JCED O=C1CCc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)nc2N1 1837441749 CFZIUDKFZIBFHB-SKLAUCLBSA-N 484.557 0.508 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837767876 OVRUJQIUTWOTGW-QVKFZJNVSA-N 455.458 0.905 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)CC2)CC1 1838371758 KGTAFGSZIMTGBY-HSZRJFAPSA-N 455.467 0.808 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ncc[nH]4)C3)C2)c1 1838584494 YHMJOSHXFZOMJV-QHCPKHFHSA-N 453.499 0.993 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)c1 1839103681 UZTNGSIUPQYHNY-CJFMBICVSA-N 469.586 0.573 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1839130630 KHYUYXJSPBZUTB-IEGUWTFLSA-N 467.563 0.520 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CCO2 1839280118 JBMYKVBNJADPQQ-LJQANCHMSA-N 456.373 0.743 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3c(C)cccc13)CCO2 1839594277 CTSBWZLTBNPWJE-IBLIISRWSA-N 467.526 0.800 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3cc(C(F)(F)F)ccn13)CCO2 1839617824 WMPFWXLZOHMRFC-FQEVSTJZSA-N 480.399 0.511 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840017996 PILYHGGMHQOSQD-RAKGEHAVSA-N 491.585 0.594 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3cccc(Br)c3)C2)C1 1840043451 ZMLPXABQVLEHIV-UYAOXDASSA-N 481.299 0.027 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(I)cnn3C)C2)C1 1840160536 JZTVVXATKIVWME-MEDUHNTESA-N 494.355 0.413 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1840169163 MUSKQDYGCMGNQK-JOCHJYFZSA-N 460.556 0.151 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1840176760 UWJKUKDAUJPJJN-JTSKRJEESA-N 469.535 0.475 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1840218861 RQLPIDAVIDVVBB-RPWUZVMVSA-N 477.558 0.228 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1)c1ccc(O)cc1 1840221742 IJNNJNHWKJSBIT-QVNIBDNGSA-N 486.569 0.793 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CN)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251611 OZVRWLMVYAIHND-IUKKYPGJSA-N 466.579 0.603 30 20 JCED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)cn1 1840462432 GHCAKDYYKHKWDC-XMMPIXPASA-N 451.527 0.923 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2 1840715276 VYEKFESXIGZWSL-GAJHUEQPSA-N 473.599 0.868 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1840819885 LTDAUWPYXATTNQ-HSZRJFAPSA-N 452.467 0.808 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1840958596 QKUMGJRBHQUUEO-XMMPIXPASA-N 482.493 0.822 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1844238327 VWPPTXHBCOKXRG-ULQDDVLXSA-N 451.564 0.991 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1845132143 HUGAHIRPLLPJHB-IAGOWNOFSA-N 480.562 0.951 30 20 JCED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)ccc1Br 1845457761 CQOGJSYQTGQJII-UHFFFAOYSA-N 495.399 0.868 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CC)C2 1846365865 ZRRGLWGHKBZNAY-JKSUJKDBSA-N 468.551 0.766 30 20 JCED C[C@](C#N)(NC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 11676112 KMYFQVYIDZCGCX-JOCHJYFZSA-N 476.555 0.651 30 20 JCED O=C(COC(=O)Cn1nnc2ccccc2c1=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 16274761 QRDHYANKLALQOM-UHFFFAOYSA-N 484.494 0.444 30 20 JCED CN1CCN(C(=O)c2ccc(CNC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 482491220 WCUDKBYTLJQXLN-UHFFFAOYSA-N 469.567 0.883 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 497893212 PIGOOJWIPCBCCM-UHFFFAOYSA-N 464.588 0.715 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cc(OC)c4c(c3)OCO4)c2=O)cn1 523180848 KFLBPJARERDACL-UHFFFAOYSA-N 481.534 0.880 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCc1ccccn1 523576824 GLCOGMYJFBNMIR-UHFFFAOYSA-N 479.518 0.721 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828497 YBDRMRPCDXEHGY-UHFFFAOYSA-N 478.530 0.272 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 608828621 DNDSDYOZEXKUJM-INIZCTEOSA-N 476.558 0.961 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828933 SBRSMJYGYRCWAH-UHFFFAOYSA-N 495.586 0.126 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577874 XDRBUCNGAQSQFZ-UHFFFAOYSA-N 450.524 0.007 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cccc4c3OCO4)c2=O)c1 726581154 NUTOTVXUJLMHKC-UHFFFAOYSA-N 473.510 0.875 30 20 JCED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCN(C)S(C)(=O)=O)cn1 726887833 KBRANNJAULQQGW-HNNXBMFYSA-N 469.589 0.972 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 729672737 FMGZZALIIANXSD-UHFFFAOYSA-N 495.966 0.118 30 20 JCED COCCS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 750149851 OFJAFHWFXVSQPT-UHFFFAOYSA-N 476.511 0.780 30 20 JCED N#Cc1ccc(CC(=O)OCC(=O)N2CCN(C(=O)COC(=O)Cc3ccc(C#N)cc3)CC2)cc1 750241925 HUHNAECMWXIWCV-UHFFFAOYSA-N 488.500 0.972 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 768255356 CSZIZBPCKUMSMW-UHFFFAOYSA-N 478.321 0.542 30 20 JCED N#CCCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 849120472 XFVAEWKTFOQUTR-UHFFFAOYSA-N 464.544 0.884 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 878407041 JPXOXWIVUBIKIL-NVXWUHKLSA-N 456.542 0.083 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@@H](C#N)C(=O)NCCOC)CC2)cc1 919665475 YTOXNXNJUZWQNN-GOSISDBHSA-N 465.528 0.735 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(O)CCOCC2)CC1 1288985776 CNKYREREGYXBKE-QGZVFWFLSA-N 482.607 0.673 30 20 JCED CCS(=O)(=O)N(C)C1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1293210156 KTNFYHMPXOIJML-CQSZACIVSA-N 456.590 0.776 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC)C1 1300850043 VWKNGXXMNUCBNT-KBPBESRZSA-N 480.385 0.371 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1300903676 PKRYNIRREUXLCC-QGZVFWFLSA-N 472.571 0.983 30 20 JCED CC(C)CN1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1360036364 YOKKRIXYYRWALN-WOJBJXKFSA-N 458.611 0.950 30 20 JCED CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c1=O 1502235714 VQLAVTWADWIWKK-JXFKEZNVSA-N 479.538 0.283 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)c1 1505121985 MLTIMFQELBGDIM-QGZVFWFLSA-N 474.543 0.326 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CCO1 1596642089 RFSPDYHAPLCPQR-GOSISDBHSA-N 461.548 0.049 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1596783321 PAKVTCXSPZFAEU-CVEARBPZSA-N 462.580 0.764 30 20 JCED CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1614785838 NOWDAMOBBGSORN-KRWDZBQOSA-N 460.564 0.614 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1633992119 JLUOIBRPFUPPQT-OAHLLOKOSA-N 454.574 0.642 30 20 JCED CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1696942813 NLJMHGDYMOIOFZ-GOSISDBHSA-N 457.560 0.815 30 20 JCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1697000810 JDFCMGNOHUBMJB-GOSISDBHSA-N 457.560 0.957 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCOC1 1706622823 SQMSUJNMQLJSBG-HSZRJFAPSA-N 453.547 0.762 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1723661436 PCCIJCRMHYEJJT-MRXNPFEDSA-N 462.532 0.773 30 20 JCED CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1729312263 VLZSLXNDLLTHRL-QGZVFWFLSA-N 461.548 0.207 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1740823146 YLSSBZPYIBEEDV-RLFYNMQTSA-N 461.972 0.748 30 20 JCED COc1ccc(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1770289244 BVUDMOZGXZIEAK-GOSISDBHSA-N 489.602 0.934 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1779446602 WWSABWPYADJODN-RQMIDBHPSA-N 458.437 0.891 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780933842 CUMDKOCQNQZKST-ICILYHDOSA-N 491.570 0.250 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c(-c4cccs4)ccnc13)CCO2 1783562677 NWIARTNMNZORRN-JOCHJYFZSA-N 465.491 0.989 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4cccc(C#N)c4)[C@H]3C2)CC1 1783913120 COYMMTNYGXZCJD-HJOGWXRNSA-N 481.597 0.635 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)cc1 1786701283 CCLXIMVBDCSGDU-ZULIPRJHSA-N 462.572 0.945 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)CC1 1788678835 PLGITWUXERAAKX-HAVNIZMJSA-N 480.587 0.350 30 20 JCED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21)c1ccccc1 1788705295 PVRQYQOCNHSYJS-TUFLPTIASA-N 466.538 0.715 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1789929387 MZZHHXXPPURADX-DKKFBQAASA-N 475.546 0.755 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1789955650 MWODOCAKTORZFC-XSLAGTTESA-N 458.581 0.193 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C[C@@H]21 1790794888 WMGBASQOOARYDO-WBAXXEDZSA-N 453.948 0.621 30 20 JCED COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1791133876 FFGHDZFICUZMEB-AYSOLLAVSA-N 465.547 0.748 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1792954715 NRPRWEYYDLADDV-KYHPRHEASA-N 495.577 0.908 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)CC 1793244901 XYELVTVRFBXLSR-NRUGXNMXSA-N 466.579 0.960 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCOCCOC)C2 1793352470 SLUICRDLEBCRDX-JHDGKUDLSA-N 472.579 0.255 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794011464 FQSWOFIUMUEHHD-XMTFNYHQSA-N 489.573 0.873 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)C1 1795411371 KAOCYKBLWRSMJU-JWXAEQQXSA-N 474.558 0.904 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1799231782 LSMOGHMDYJAHQI-XLIFZOOWSA-N 490.601 0.799 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2 1799321983 VNXLPMDCYPVLBX-YHDCXSKOSA-N 496.605 0.587 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCS2(=O)=O)c(C#N)c1 1800392222 NJOOBTIJVUMNFN-NZGUISNBSA-N 461.540 0.276 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801355845 RFOYVTXOAPRASS-MBDBIXISSA-N 461.475 0.924 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1803507450 DTURMJSNKCUAJX-QRQLOZEOSA-N 478.619 0.697 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1804093511 BYQUUTABSAQYOD-IERDGZPVSA-N 464.457 0.964 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1805022795 HCVOGOLMOCMROR-IIBYNOLFSA-N 470.507 0.429 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806083802 KLGNWWYTYXASRU-LAUBAEHRSA-N 480.525 0.851 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809968865 RHPVODRQQGYXSU-UHFFFAOYSA-N 456.503 0.772 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1810248685 GWEGGYKKOTUOHX-GIWBLDEGSA-N 471.602 0.825 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810361246 PGNZWXLGXBPAGF-WILZFVBHSA-N 481.513 0.819 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C(=O)Nc2cccnc2)[C@@H]1c1cccnc1 1810455705 LFMKFCQQYDCNGT-FPWSIBOVSA-N 462.510 0.980 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]2c2cccnc2)c1 1812392318 LPDWLNAZOJKDBE-UWJYYQICSA-N 479.493 0.824 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1812978976 BIRYALVPYQTATN-FCGDIQPGSA-N 460.579 0.843 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1823385511 IPKKDCYFYSMPRB-JKSUJKDBSA-N 465.470 0.951 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)CC1 1823748709 YWARKDCQSDDZRZ-VOWRWHFZSA-N 477.558 0.959 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1825665347 HIOZAFYUTTZMOG-GFCCVEGCSA-N 451.464 0.936 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828969954 YLFXAASXYWTNDO-XXBNENTESA-N 490.630 0.876 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310492 ZMBJNTNORZWSIL-MBSDFSHPSA-N 453.499 0.488 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829532266 OMYGLKAXVCAQQU-YWNQAFCESA-N 468.457 0.959 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1829769169 MNVAWBYRNXLKOA-VRWDYKOXSA-N 460.575 0.320 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1830297357 YEVHPCRMJXLKIF-HOIFWPIMSA-N 455.552 0.947 30 20 JCED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)cc1O 1830465404 GVRBDGOLTJAGPD-QFIPXVFZSA-N 458.902 0.901 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465499 JIQVMZNBABFWDS-VGOFRKELSA-N 498.001 0.476 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(Br)cn3)C2)C1 1831387873 RXMYXEWWSSOOFS-KKSFZXQISA-N 480.359 0.881 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1831438092 MIOUBQTZSMKHSM-DVECYGJZSA-N 459.543 0.772 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1831495749 LHXKWPUQAVGZEA-CECAUBDESA-N 464.588 0.611 30 20 JCED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)CCC1=O 1832369500 BQTQHXKZADGJCK-QHCPKHFHSA-N 453.499 0.165 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1833451283 FHPSZPPJHFPNRX-IAGOWNOFSA-N 473.640 0.687 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)nc1 1833599098 CRWLXTHGGANWAB-QHCPKHFHSA-N 484.534 0.741 30 20 JCED CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1C(=O)O 1833608608 MVYMIHWUHOFZTP-UUVZMSSXSA-N 490.561 0.704 30 20 JCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(N4CCCNC(=O)C4)n3)CC2)CC1 1834034510 NZZOYNVUYXVRMG-KRWDZBQOSA-N 488.658 0.911 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)n(-c2cccc(=O)n2C)n1 1835354725 YNKROGBUQAZHLM-QHCPKHFHSA-N 468.514 0.253 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1837396841 NSVZDCFPCYGHLO-KSFYIVLOSA-N 478.502 0.642 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1837443498 CNNJVEVILVUKJT-JRASGKOJSA-N 489.964 0.924 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1837489303 COQVNSYZFCCUJM-XMMPIXPASA-N 483.525 0.204 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2)c1ccccc1 1837518421 LHVQSYFSTBAUTO-GVUKDKGQSA-N 485.581 0.291 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1837525030 RSKSAUOYYKKQLG-BEQIRNJDSA-N 498.540 0.866 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525233 KWUKRIVWOJZVNJ-YMHCHUIFSA-N 468.536 0.179 30 20 JCED COCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528355 HNCLPRGKRPCCFM-UGYDVAPCSA-N 466.491 0.420 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c2ccccc21 1837563220 LMUXPHSGOLOYAE-IZEYGWMZSA-N 495.536 0.509 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1839109472 HODADUJRYWYNJC-LUCIHVKJSA-N 481.590 0.883 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C)n(C)n4)C3)C2)c(C#N)c1 1839131670 RBMPROOAHPWFGZ-XMMPIXPASA-N 467.526 0.922 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1839190792 DYLRYKTYEGGMNW-ZJCBTPCYSA-N 488.585 0.909 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839203478 MECIOCFGLRQAMJ-WZONZLPQSA-N 465.547 0.132 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1839482143 MMYFMHATLRZYKJ-JOCHJYFZSA-N 453.455 0.955 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C[C@H](N)c5cccnc5)C4)C3)c2c1 1839487801 HNQORDRTAHJYEM-CPJSRVTESA-N 489.536 0.990 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C[C@@H](N)c5cccnc5)C4)C3)c2c1 1839487805 HNQORDRTAHJYEM-NLFFAJNJSA-N 489.536 0.990 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4Cc5[nH]nc(C(F)(F)F)c5C4)CCO3)C2)CC1 1839738340 SMZOHWQZJGDQOG-RNODOKPDSA-N 467.448 0.903 30 20 JCED COc1c(Br)cccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043612 JYEQLBCHAHJRLM-FQEVSTJZSA-N 481.299 0.616 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840169391 BBOWGNDRVDGEEB-HOYKHHGWSA-N 495.573 0.703 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1840906461 CBYRZDIUWDFCAQ-SVQXRNPESA-N 453.511 0.717 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840941554 RXSWFBLPSXHVNE-CJFMBICVSA-N 492.617 0.845 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC3(CCCN3C(=O)C/N=C/c3ccco3)C2)N1 1844315280 DWKVCZAHUZLVJX-VAEXPLNASA-N 473.555 0.082 30 20 JCED CN(CC(=O)N1CCCC12CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2)C(=O)C(=O)O 1845809369 XOVAXDLBWHSDCL-UHFFFAOYSA-N 453.377 0.332 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1847240185 ZSDROLYEEYPSFC-ANSOXZBUSA-N 476.574 0.665 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 1847806462 YPWMEMFMMIADKM-ZONLJJFTSA-N 469.538 0.999 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848070564 OUDPIRIYFYWQET-CQHMPISHSA-N 461.519 0.209 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(Br)c2)c1=O 480349646 UMYVCRGZOIOADJ-UHFFFAOYSA-N 477.384 0.161 30 20 JCED Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccnn3C)c2=O)c1C 502059638 YEWPAZWUSDYCAQ-UHFFFAOYSA-N 492.605 0.201 30 20 JCED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 514350497 ICKGAUPUPPWSKD-CQSZACIVSA-N 468.514 0.470 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1C 520893962 FVJFVPSWDSNUOO-UHFFFAOYSA-N 488.635 0.638 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccn3)c2=O)cs1 523857197 HZMACHVQHYVBBY-UHFFFAOYSA-N 481.603 0.928 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCNS(C)(=O)=O 524281882 FBQVCZMVLHBHNH-UHFFFAOYSA-N 468.988 0.142 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1C1CCN(C)CC1 604499158 LBDWMZPWZKIYSV-UHFFFAOYSA-N 498.605 0.594 30 20 JCED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 604513926 ZCOMFHXOBYVJPW-UHFFFAOYSA-N 451.530 0.843 30 20 JCED Cc1nnc(SCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CC(N)=O 609115072 GHUYHASUTWKCFQ-UHFFFAOYSA-N 456.488 0.632 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)CC1 728589337 BCNJHNHUZJTDLH-UHFFFAOYSA-N 491.591 0.818 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1CCOC 748785898 OZZVRZMCARIDGX-UHFFFAOYSA-N 458.496 0.668 30 20 JCED Cc1cc(C)cc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)c1 839186189 LAWGVEWHSGMDDE-UHFFFAOYSA-N 492.605 0.201 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2cccc([N+](=O)[O-])c2)CC1 914799711 BOWXFLFSASRCMA-UHFFFAOYSA-N 488.478 0.922 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3c(=O)nc(O)c4ccccc43)CC2)o1 915374594 NAVDKELWSGJJMR-UHFFFAOYSA-N 452.427 0.162 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C(C)(C)C)cc2)c1=O 916198271 IZGFEJMCGGBIEN-UHFFFAOYSA-N 498.649 0.805 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2COCCO2)CC1 1288985836 DXBJKCVKYYCLOH-JKSUJKDBSA-N 454.553 0.156 30 20 JCED N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1292655485 QPMAAHNMEHEWBB-HUUCEWRRSA-N 458.334 0.314 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1 1300848919 KFUUPTGMDRCMPS-CYBMUJFWSA-N 477.385 0.221 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1503376743 RIAGBACXAUZYNS-HSZRJFAPSA-N 485.614 0.807 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCSCC2)CC1 1510293032 CXHMHOMCHXZOCM-QGZVFWFLSA-N 483.664 0.790 30 20 JCED Cc1ccccc1OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1612315674 IYJKWUNZZSUNTA-MJGOQNOKSA-N 476.559 0.727 30 20 JCED CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1642227253 QKLCIPFOEBTCJB-UHFFFAOYSA-N 457.574 0.621 30 20 JCED C=C(Br)Cn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705681049 MEVAYQZZJQPDEY-UHFFFAOYSA-N 453.345 0.777 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOCC1 1705688751 UMELNPLNDCPHBO-HNNXBMFYSA-N 493.428 0.288 30 20 JCED COCCN(CCC#N)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1749832468 JEUUAUOTVQMUST-HXUWFJFHSA-N 451.524 0.924 30 20 JCED CS(=O)(=O)CC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1750198223 OOHWXADICFAWSP-INIZCTEOSA-N 479.584 0.902 30 20 JCED CS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1750217619 OBVOBZWFWNFCCA-INIZCTEOSA-N 476.538 0.116 30 20 JCED C[C@H](CN1CCCC1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1761429973 ZWIGEMHQBLZWIL-HLIPFELVSA-N 469.587 0.785 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779062077 CIFPBXIUODCGEH-CRICUBBOSA-N 484.553 0.521 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063109 PELONGXXZJFBKQ-MHECFPHRSA-N 479.574 0.401 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779423195 IHOSIVQBIJTTBQ-QGGUIFQASA-N 470.523 0.094 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779888159 CDSPEQMBRCWBFI-JPYJTQIMSA-N 458.515 0.680 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1780684080 UUXJYLZYIZNQLV-SEPYTNNBSA-N 467.563 0.508 30 20 JCED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CC(=O)NC2=O)C3)cc1 1781009588 SCUGGJUNWCRSLB-WZONZLPQSA-N 453.499 0.432 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)CC1 1781045314 MNTZADXODNHIKT-LLJLJFOGSA-N 491.589 0.080 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4cccc(Br)c4n3)C2)C1 1782378413 HYOFSYRWWLLAQP-LJQANCHMSA-N 461.272 0.628 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NCc3ccc(OC)cc3)C2)C1 1782781055 QLGZJKWOVGSJGE-UQBPGWFLSA-N 471.554 0.960 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C1)C2 1782853177 QUMCIVPLPIBRMC-MZNJEOGPSA-N 480.525 0.966 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783451894 FPWZSPQWJUJCCB-HXOBKFHXSA-N 490.557 0.620 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C[C@H]2OCC[C@H]21 1783567442 PLKRVPGVFZLBEJ-MXEPURNFSA-N 491.541 0.319 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1784483212 OQXPAYKOIZDUSE-ILNCAHHFSA-N 493.601 0.765 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1784502987 MDOYTLRGLVFREE-FPSMNIFISA-N 455.552 0.443 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786747161 WJXDTHJDARBPGH-BURNTYAHSA-N 492.617 0.605 30 20 JCED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)CCC1 1786789657 YONFZESFWJSEHN-INIZCTEOSA-N 492.536 0.606 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)[C@H]4SC(=N)NC4=O)[C@H]3C2)c1 1787496564 YVMHQXNNHNDYDM-LNVXBPMESA-N 485.566 0.963 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)n1ccccc1=O 1788658706 MROBXDYMNJPIEP-FSHIGZNYSA-N 460.531 0.918 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1789955114 DYCFPCOSDNFVBM-ATIWLJMLSA-N 470.567 0.653 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c(CC)c3I)C[C@@H]21 1790790659 YCPHDJTVVLPVOT-GVXVVHGQSA-N 456.284 0.803 30 20 JCED CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075645 IUKAQLFHRGXNLE-FJIDUMEYSA-N 495.573 0.763 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1792266630 MIIGPGUJFRTBEP-NKUMXGNESA-N 476.574 0.572 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C2 1793347903 OAGBTNLNPHMUJS-PZTGFMGMSA-N 498.001 0.636 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1793368778 UXJAMLYUMUPTGV-WGGRKMMXSA-N 454.570 0.757 30 20 JCED COC(=O)[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C)NC(=O)OC(C)(C)C 1793387580 HAUXASHINUFYKQ-SQDXWYPISA-N 487.619 0.987 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1793823419 MPYIWTXVICXLTC-OREBXVKISA-N 469.604 0.723 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795417851 HSLFAOJJZKAEOX-SFNKJDCFSA-N 450.536 0.906 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)cnc2c1 1795598182 JVMZZUURYPQRGT-XEMDLRDOSA-N 466.542 0.488 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1796336059 AWLZHGIBKYQWAG-OFHJESTESA-N 490.557 0.924 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2)c1ccccc1 1797876936 PSBMHNJVNOLDGU-JTJHWIPRSA-N 463.471 0.498 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)nc3cccnn23)c1 1798499579 ZVDQTNHYCDESJN-FAQVEIGNSA-N 474.477 0.487 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1)NC(=O)OC(C)(C)C 1799144491 YHEITKLECLFDFO-NJHADGRTSA-N 466.579 0.158 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC=O)C2 1799233321 SGQJZFCDERTBMK-OYSTVDSJSA-N 464.563 0.407 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1799322965 VVJNALLULMBRNB-WXJALIKYSA-N 466.579 0.158 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1799395993 MFZFVJTVVCPLGT-HVRFAWQISA-N 482.578 0.749 30 20 JCED CC(=O)NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1800338324 JEMIGJGDNUGCPQ-JTOYRKQZSA-N 497.596 0.985 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H]2C[C@H](O)[C@H](C2)N1C(=O)OC(C)(C)C 1800787396 NCITVBHXDJFNKV-LWWSSTOXSA-N 491.585 0.373 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccnnc2O)C3)N(C(=O)OC(C)(C)C)C1 1801102289 GGVHQFNIGXKSNH-MVJTYMMSSA-N 473.530 0.951 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](N)c1cccnc1)C2 1802127422 OXCWMRMHEOQSFL-XCRACJGTSA-N 485.585 0.978 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802228730 JZVNHFATQDJNNY-FZKCQIBNSA-N 485.559 0.041 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817249222 HNPQPZVAEIFRJR-ZMSDIMECSA-N 489.577 0.911 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822204944 UOFVHXDEQRGPGJ-KSSFIOAISA-N 491.501 0.946 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822622427 PTRKKUDVSPBZMU-SDADXPQNSA-N 477.587 0.695 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1828584159 WZOFWEPRZZCBSK-SBUREZEXSA-N 461.515 0.340 30 20 JCED CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1)C(=O)C(=O)O 1828978839 OOEPGOFXSOMHFY-PKYUIECSSA-N 466.535 0.678 30 20 JCED C#CCCC(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828989765 IEAWZMRNKLFHOT-NBGIEHNGSA-N 483.569 0.445 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829048977 CQPQJWNVMMQAQU-RDPSFJRHSA-N 455.559 0.528 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1)N1CCN(C)CC1 1829212436 LDFUPEVJMVECJM-LVXARBLLSA-N 496.612 0.988 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCN2C(=O)OCc1ccccc1 1829392572 GHQDNELXNZHKNM-QHCPKHFHSA-N 450.499 0.754 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1829809036 RGUUFSLDPVJNSL-GAJHUEQPSA-N 452.515 0.962 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1829960891 YOIWUDKBZUBZME-RHGYRFJNSA-N 494.589 0.438 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c1 1830458255 NBVZKMRINREHBD-RUZDIDTESA-N 480.521 0.262 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)CC1 1830460418 JZKFUYWAQZUBFV-AREMUKBSSA-N 497.596 0.111 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1830472711 RXNPETLBERTQHM-JOCHJYFZSA-N 457.918 0.830 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)C1 1831209618 ZAHXOGNINCZKBG-DEOSSOPVSA-N 487.940 0.935 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221479 NNGJRFBBZMXFIS-PNTFMKQHSA-N 491.585 0.617 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1831491467 DCORUNOQMXLLPS-DYESRHJHSA-N 452.577 0.949 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1832000453 PPHANHHIBKQWIM-REROXQDQSA-N 494.589 0.952 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832423295 AWDOHTSTXYZLHN-JPYJTQIMSA-N 451.564 0.419 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833027842 VHSPPEXJPKOMQK-PXNSSMCTSA-N 455.602 0.889 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1Cl 1833474672 MGXSLJHOOVWRFN-JOCHJYFZSA-N 472.885 0.994 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1833599138 GKXNFFBHTOMWKA-QFIPXVFZSA-N 495.554 0.065 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3CNc4ccccc4O3)C2)C1 1835677262 DFTMOJGAUKCPKE-CLOONOSVSA-N 485.585 0.988 30 20 JCED Cn1cc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)ccc2n1 1835679987 CVNVYLOJWQGJED-XMMPIXPASA-N 468.558 0.925 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1835706023 HIICMPVCQCANPM-JTGQJZMRSA-N 462.595 0.124 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1836215921 RNNOKOGNADPCID-HOIFWPIMSA-N 466.535 0.117 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836653137 AEFPLFCAELDFBS-YKSBVNFPSA-N 458.511 0.956 30 20 JCED Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)cnn2c1 1836949542 NOQMFILSACJONM-BKINLPNISA-N 466.498 0.820 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837376502 ZXRFMMYBOHMVIE-SBUREZEXSA-N 457.531 0.265 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1837393534 UPQCIJIWJFJGQX-CPJSRVTESA-N 473.570 0.788 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1837400290 BZPMMLAOMNQYRC-YTZAWJCFSA-N 499.605 0.292 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1837443567 GFEKNUPULJGAAQ-DGEAWOGYSA-N 458.563 0.761 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1837446668 MEVTVZWZIIKXCK-XTVKVDEJSA-N 454.531 0.876 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837528298 FIAVPZCXMYJRRZ-SJAQWOJPSA-N 490.513 0.467 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837563482 MNGHCBOMNQHKRB-CSOJOJLQSA-N 452.471 0.511 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837644957 ZHPBBKUVMCYDPL-AUSIDOKSSA-N 459.547 0.069 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837693385 PLIKNLISSYYFKS-MHECFPHRSA-N 454.527 0.638 30 20 JCED N=C1NCCN1CC(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1837860708 MNBMSUOINZSMBO-UHFFFAOYSA-N 459.591 0.524 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838324963 UTVOGIPSHOROQE-UJUVCNOISA-N 477.518 0.609 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c4ccc(OC)nc34)CCO2)C1 1838486102 JYRSTIZQDDWMBQ-MWTRTKDXSA-N 456.499 0.680 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838579116 BVSQNJDEPNSNHU-QFIPXVFZSA-N 477.539 0.543 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)c1 1838579646 WLTROGITYGEMIW-QFIPXVFZSA-N 484.469 0.442 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595712 ZCWWCYQEPOXFOZ-QVKFZJNVSA-N 483.974 0.962 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCN(c3cc(NC4CC4)ncn3)C1)CCO2 1839039133 UYASYRIJGRBUCO-UUOWRZLLSA-N 483.573 0.637 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1839173165 CICFIZQEGJQEHM-QHCPKHFHSA-N 465.547 0.355 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)[C@H](C)ON=C(C)C)CCO4)C3)(C1)C2 1839227364 DGRNWOHWECXIEY-PDQWDRGOSA-N 451.520 0.587 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839390516 UBAMKMHEOXCNIK-DGGPYNQQSA-N 467.482 0.727 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839422951 TYZSGHPIAFEURM-VFNWGFHPSA-N 498.989 0.609 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1839810945 YOOZYMSVOFXMFU-XMODTWTHSA-N 461.559 0.969 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC[C@H](C(=O)OC)C1)CCO2 1840143814 FLWIEHZLEAIPFO-LECPLEHHSA-N 477.558 0.281 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1840173118 CUYAXQDTXHNSME-JOCHJYFZSA-N 452.471 0.217 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1840176676 PXVGKIONZGSYMR-WATLYSKOSA-N 487.553 0.791 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840436736 WKHHIADQJBLBMD-RUZDIDTESA-N 472.586 0.734 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1cccnc1)CCO2 1840453008 KKNBMDXVPQCYQT-JPYJTQIMSA-N 461.515 0.815 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(N5C(=O)C=CC5=O)cc4)CCO3)C2)CCC1 1840771941 YCPGRLPAZVUEEH-RUZDIDTESA-N 478.505 0.880 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1840820200 DPEDTESBVUMYCZ-XMMPIXPASA-N 465.510 0.850 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1840913544 FNBGISYJYMHYEW-GAZXMLTASA-N 477.558 0.891 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840939603 LIEWAGCEHZGYDM-WCQUILQHSA-N 452.552 0.458 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)N(C(=O)OC(C)(C)C)C1 1846448839 JFUMJOMYRJKMBQ-CABCVRRESA-N 461.519 0.354 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1847121837 OXAOGKBBHPQTOE-KRWDZBQOSA-N 464.563 0.860 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1847640890 SBAWKHRJACKISM-IKGGRYGDSA-N 453.536 0.973 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848128641 NEFLDQRQOBPSSR-MHEQHKPTSA-N 461.519 0.256 30 20 JCED O=C(CCCCC(=O)ON1C(=O)CCC1=O)NCCCCCC(=O)ON1C(=O)CCC1=O 2332240826 ALZDDELJBCEWHD-UHFFFAOYSA-N 453.448 0.438 30 20 JCED CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 16260109 DIKFKETXHIKFQJ-UHFFFAOYSA-N 476.580 0.797 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)c(F)c1 502041254 MYLXIQPUVDOHCL-CQSZACIVSA-N 455.515 0.734 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c1 590709567 IVEPXMBXOCHXML-UHFFFAOYSA-N 477.543 0.875 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 616901622 OMOUNJLFDFJFTB-UHFFFAOYSA-N 464.525 0.965 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O 623224132 UVJVMGKKJOCSMW-GFCCVEGCSA-N 478.303 0.998 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C(C)(C)C)c3)c2=O)cn1 726180966 XRVXNOJACCEZIA-UHFFFAOYSA-N 481.582 0.429 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccc2c(c1)OCCO2 726784842 KAYSKJPQFXNEQI-UHFFFAOYSA-N 477.546 0.462 30 20 JCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c1=O 729671633 RKEWMGCJCWTDDY-UHFFFAOYSA-N 483.999 0.644 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 729673414 OCZPIOBESBXXKW-UHFFFAOYSA-N 475.592 0.525 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(F)F)CC2)cc1 747317737 WNIMVLAXNRCACS-QJOMJCCJSA-N 457.503 0.847 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)c1 749504508 GLSNQPNCFKCMIG-UHFFFAOYSA-N 474.525 0.609 30 20 JCED COc1cccc([C@]2(C)NC(=O)N(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)c1 774906812 YNPDOIZJTBCCLY-NRFANRHFSA-N 471.495 0.622 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OCCO2 839369814 LABJCLFTVHMQED-CQSZACIVSA-N 481.534 0.058 30 20 JCED CC(C)[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 877877225 SZWJOGBZHZFQOX-RDJZCZTQSA-N 471.557 0.363 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1136427554 PTYFBPSUAPIXCT-UAGQMJEPSA-N 455.558 0.420 30 20 JCED CCCS(=O)(=O)NC1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1141571987 ROZUNBDTMIWPNG-AWEZNQCLSA-N 456.590 0.824 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1303863344 QKCBBDJXSFXZGW-HTAPYJJXSA-N 488.618 0.153 30 20 JCED CNC(=O)c1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1314979715 PKWPUHGDJJRMRU-VLIAUNLRSA-N 463.539 0.933 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC(=O)N(C)C 1541929246 PNIIGQHVCUPPBF-HNNXBMFYSA-N 475.575 0.896 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1547475558 USNSPWFEJLZRDT-UHFFFAOYSA-N 473.603 0.852 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1620176756 JZTBSTCNSKJEOK-OAHLLOKOSA-N 485.492 0.871 30 20 JCED N#Cc1ccc(OCC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1Br 1628646762 KOZQIZJKOUFBNY-HNNXBMFYSA-N 451.321 0.749 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@H]3CCN(S(C)(=O)=O)C3)CC2)c1C#N 1693406646 LTUFPHUHCLVBPC-KRWDZBQOSA-N 475.623 0.923 30 20 JCED CN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)CC(F)(F)F 1696816873 ULJHYGBXYOTKIY-XJKSGUPXSA-N 483.492 0.547 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1697022832 KZSZCGVDPPAMIY-IBGZPJMESA-N 486.602 0.948 30 20 JCED Cc1ccc(OCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1751579554 TVCZIFHHOJROQO-OALUTQOASA-N 476.559 0.727 30 20 JCED Cn1cc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)CCO2)cn1 1769010957 FZMXMOBWEFTANO-SFHVURJKSA-N 456.532 0.677 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1779225884 NVLLQDWCDGAETA-BSRJHKFKSA-N 474.562 0.661 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779947763 RJFJNRTZFYRGDK-VKUXZERMSA-N 457.512 0.058 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@H](C(=O)N1CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1781063967 XVPVUOCQNODHTN-SXTKOZQMSA-N 475.542 0.940 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781320840 PEJMLOHOQXMYRK-JTSKRJEESA-N 455.552 0.685 30 20 JCED CCOC(=O)N(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)Cc1ccco1 1782017178 BEPHUJNUOZYAFH-WZONZLPQSA-N 475.498 0.840 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)c(O)n1 1782673799 PCJYZSPQUVGMFR-HSZRJFAPSA-N 469.498 0.924 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873876 BIDKQYQFDNHDEP-IXFSTUDKSA-N 476.599 0.190 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)ccc12 1783562576 MFNVQBZOYLMAHE-JOCHJYFZSA-N 454.439 0.043 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1784494802 DNTLVPLGUMXHLW-JPLJXNOCSA-N 459.547 0.557 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1785571209 BNVUAEFEJUWYHX-PONJGIIJSA-N 450.536 0.244 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1785571581 CZSTZFVSPVHASG-WAIKUNEKSA-N 473.530 0.845 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1785572975 UNIVUKPROSIQPO-MWTRTKDXSA-N 475.546 0.341 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCNC5=O)[C@H]3C2)cc1 1786258155 AUJUPYBATBDHMO-IPJJNNNSSA-N 476.537 0.724 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786367397 KGDWLOLEPIJEQB-ATIWLJMLSA-N 450.536 0.498 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676800 KKHQUYWIRZFVCV-LWUMGNCSSA-N 454.549 0.006 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccccc4C(=O)OCCO)C[C@@H]32)c1 1789345391 HKDMKVSDKFGAMG-LRQRDZAKSA-N 466.494 0.943 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790142102 XNHLMFOYRNDSQZ-KNTRFNDTSA-N 462.572 0.674 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790751185 SAWPLQJQSGHLPR-VMXHOPILSA-N 497.614 0.460 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCSC)[C@H]2C1 1791310243 QODDBTAZCCBPID-OYSTVDSJSA-N 483.631 0.997 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1792261802 RTWRKCLGVOQBOC-OVWQWFNUSA-N 473.530 0.692 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1793085012 SVTFAEYUDFVKFV-GDQZUHIUSA-N 478.546 0.564 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)[C@H](O)C1 1793258636 SZJJAEVLUBNULW-CQVUMHHCSA-N 475.586 0.997 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCN(C)CC3)cc1)C2 1793340712 FTRWQTFXMJRRCF-WRHDZBKDSA-N 454.571 0.680 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3[nH]nc(C(F)(F)F)c3C1)C2 1793347990 UYDPDHZYFCAUBW-CGEFAEBTSA-N 454.449 0.771 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1793353393 CQHREJWAPPMBKB-XVMXLUHGSA-N 481.590 0.785 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1793355759 QBRKJMXWMBDOMQ-OYSTVDSJSA-N 467.563 0.803 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(-c2ccccc2)n1 1796537351 MDWKKXUTBUBZMC-VKDSVZAHSA-N 450.499 0.329 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](C)S)C4)CC2)CC1 1797280262 WRYRLHPQXSRAHX-RMYQPGKMSA-N 466.648 0.617 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C 1797668982 JULIEAQYGGJGAK-KYHPRHEASA-N 464.519 0.015 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](COC)NC(C)=O)N(C(=O)OC(C)(C)C)C1 1797971185 NCYZEWFXWKUKIL-UJMXGEILSA-N 494.589 0.293 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)NC)C2 1799320357 GNJDOYBXSWJTTC-YYAJDYIMSA-N 452.552 0.572 30 20 JCED CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1800535390 PPGLYHRIHPMCTE-OQIJWPOYSA-N 491.589 0.641 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O 1802040837 MVWKIIXYDCVMIB-RYQXAFMISA-N 459.518 0.501 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C\C(=O)NCC=C)C2 1802124677 HGZMWLRNWUWZAN-QBWSZWEKSA-N 474.558 0.351 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1802147493 BGZDIEPRKWXFIC-KRXQYRFLSA-N 470.592 0.264 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1803242735 BGTCHFZBDIIXEL-LVCYWYKZSA-N 486.525 0.811 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1803916786 KOUVFPQKQBVOQB-KHZUPZCRSA-N 483.525 0.932 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807950570 UVZDVOFDXZWUKC-KXBFYZLASA-N 480.485 0.037 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1813174816 JASVISJRWKODBZ-LWCDEFHASA-N 469.498 0.541 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1814035153 DQDAHUSEQFDWPR-YVWKXTFCSA-N 453.499 0.397 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN)sc2C1 1814787087 LGLVRINPJWLWLC-TZMCWYRMSA-N 496.590 0.819 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1819772999 OZSAMBRZTFRHOG-NWGMWSOJSA-N 482.632 0.257 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3CCc4nc(NC(=O)CN(CCO)CCO)sc4C3)c2c1 1825329722 YOWSXCITGNYISL-CQSZACIVSA-N 483.554 0.403 30 20 JCED CN[C@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1)C(=O)O 1828990357 NVMVSZFJJGPFEF-JPYJTQIMSA-N 471.514 0.415 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cnccn3)C2)C1 1829332377 JAEHJNLJWMOJFA-DEOSSOPVSA-N 477.477 0.630 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCSCC2)CCO3)cc1 1829704631 IOQSSKQCUPKETO-DEOSSOPVSA-N 472.611 0.996 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1829769218 NZRHTLWWYMKOGF-UUMVVRSSSA-N 496.524 0.368 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)cc(OC)c3F)C2)C1 1829769542 ZARDAWCNPLLHPX-VRWDYKOXSA-N 491.516 0.771 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1829771131 HIBCLQOBOCZTLU-UZQCKINESA-N 471.489 0.402 30 20 JCED CN1CCN(c2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2)CC1 1831207590 SNNQGTDMZBUAMQ-SANMLTNESA-N 466.582 0.922 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C2)C1 1831386608 AXVQSIZKHVJCOT-RLWLMLJZSA-N 484.597 0.547 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(C(F)(F)F)cn4n3)C2)C1 1831394140 XGTYBKDRBQGRTL-YCRPNKLZSA-N 495.458 0.856 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc(Cl)c3OC)C2)C1 1831397491 RSDJNBJCVBNWMZ-VFNWGFHPSA-N 451.907 0.852 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1832000138 HWNGYKJPNPNOEJ-YIGJPRQDSA-N 496.605 0.779 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1832000825 YWDDWKDCOFMLQP-HXOBKFHXSA-N 495.573 0.865 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(OC)nc3)CCO2)C1 1832581372 GIHPNPJAHQOKQP-XMMPIXPASA-N 475.542 0.989 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832791335 HVGRWFOIBFTMET-IIBYNOLFSA-N 451.524 0.993 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)Cn3ccnc3)CC2)CC1 1833076638 FMRPCILZBBWVKD-PHWHVTFISA-N 456.591 0.949 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338584 MFLBKODWWUDXNM-SBUREZEXSA-N 476.530 0.325 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1835680973 QKWYZUKZFMBXPG-HSZRJFAPSA-N 454.531 0.686 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835714090 WRTWVVFRJYBROB-WOJBJXKFSA-N 452.596 0.282 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2)c1ccc(O)cc1 1836139345 KWCXJDJDKUHEEP-HYBUGGRVSA-N 467.526 0.637 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1837309441 OHBGCBVLWASSRY-JXQFQVJHSA-N 471.558 0.820 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1837528224 BVWLQAAEXCZRKI-JPHKLTHBSA-N 477.518 0.265 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1837529850 DZZDRCCQZVVLOP-QBRPEMMGSA-N 477.518 0.100 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1837529851 DZZDRCCQZVVLOP-QOZQDQEPSA-N 477.518 0.100 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837531858 YNABTEHGSSEWAY-YFORNBPNSA-N 486.529 0.257 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1837610437 RFTVBYUOUMHYOS-FDDCHVKYSA-N 457.531 0.245 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1)c1ccccc1 1837611499 IWODXIOKTYXNAK-NBGIEHNGSA-N 482.537 0.192 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)n1ccccc1=O 1837686293 FWCQUQKFZQBPBP-DHONSFFCSA-N 476.530 0.395 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1838492973 SJZLFTVYKXTQRO-GLYQIKNISA-N 497.556 0.982 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(CC)c3F)C2)C1 1839174374 YGBCGJKQPXIYDM-NRFANRHFSA-N 452.483 0.691 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1839174862 AZEXHXDBHNKFHG-FQEVSTJZSA-N 452.895 0.709 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)c(Cl)c1 1839424006 ICZVCNGAIQUTKA-JOCHJYFZSA-N 484.900 0.484 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn4c2OCCC4)CCO3)c1 1839518382 VCEGSJOBYCTERU-DEOSSOPVSA-N 481.509 0.930 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1839889223 JHIJOOFFGOYBEV-MGPUTAFESA-N 467.473 0.263 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CSc2nc[nH]n2)CCO3)cc1 1840378619 CTTAESSIYOEROX-JOCHJYFZSA-N 470.555 0.858 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnn(C)c4)CCO3)C2)c(O)n1 1840463807 CXYCKLMKLRMSTP-XMMPIXPASA-N 469.542 0.952 30 20 JCED Cc1nccn1[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840492210 HLWUNXFBZZHHQO-YADARESESA-N 458.559 0.908 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C2)C1 1840843418 PDNGQEHWHYMZBF-XZWCOCNFSA-N 491.585 0.881 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840907405 UKEMIZZBPBPYNX-HJPURHCSSA-N 491.545 0.112 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1841431233 ZXJCUIRZTCFJPW-DMGPTTAYSA-N 451.568 0.937 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cn1 1843216353 WUUVNHCWKOXBFC-AOOMUMSASA-N 464.544 0.972 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(OC)cc2)c1=O 501777947 VJBHMVZIULHIEB-GOSISDBHSA-N 485.562 0.670 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)cc1 517108845 BOMBZPAZBNFXFL-UHFFFAOYSA-N 487.586 0.160 30 20 JCED CC(=O)N1CCN(C(=O)CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 520759986 IWZHFQSJGKLTPI-UHFFFAOYSA-N 475.571 0.156 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(OC)c(F)c3)c2=O)cn1 523181442 MVXGURGKZXAZBF-UHFFFAOYSA-N 471.514 0.529 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCCC(=O)OC 589776477 AGDYFSIQMXOIOV-UHFFFAOYSA-N 455.536 0.985 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 590903886 RSFPGTVUGWMNSD-UHFFFAOYSA-N 471.535 0.855 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 603582676 FTDIMVHNYGAFMP-UHFFFAOYSA-N 463.497 0.965 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 603591586 VJKSBMYQLGOEBD-UHFFFAOYSA-N 488.570 0.965 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(=O)N(C)C 604270267 KENTXOBQUUDEOW-UHFFFAOYSA-N 452.989 0.988 30 20 JCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(C(N)=O)cc2)c1=O 608829031 XIVRKHSCARZWKQ-UHFFFAOYSA-N 492.532 0.807 30 20 JCED CCOC(=O)N(C)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 726971300 LBMXJQZSMRBHNU-UHFFFAOYSA-N 477.587 0.944 30 20 JCED CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 744920408 OWSVAIVJDBTPGV-PEZYZRJDSA-N 451.549 0.857 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H]1CCCN1S(C)(=O)=O 744990336 DTWUXUPPCHGINV-MRXNPFEDSA-N 462.484 0.334 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 748104317 AGQPPLXQMJUKQM-FXBPSFAMSA-N 473.577 0.283 30 20 JCED CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)s1 753419120 JDOGWSSEGWIAKQ-UHFFFAOYSA-N 485.565 0.416 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)c1 800958115 IIIIGVMXHIBRQX-INIZCTEOSA-N 496.567 0.811 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3F)CC2)sc(=Cc2cnn(C)c2)c1=O 838241970 IWIFRDKLOFYGRI-UHFFFAOYSA-N 496.568 0.281 30 20 JCED CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 864236192 CDOFHSYURDRSSQ-UHFFFAOYSA-N 471.562 0.271 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)ccc1F 915286336 DGKSVEAVWGHDTJ-UHFFFAOYSA-N 482.559 0.900 30 20 JCED CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918422703 GIYOLOBWHIZKAN-FVOSJULTSA-N 454.549 0.588 30 20 JCED C[C@@H]1CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1291291214 LOLAODKDTVCECS-KZNAEPCWSA-N 452.581 0.410 30 20 JCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1297335546 ORNYDTJZPPUWCK-HXUWFJFHSA-N 454.508 0.956 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)NC1CCCCC1 1360707501 FOUBLGUXXOSNGL-QAPCUYQASA-N 478.623 0.514 30 20 JCED COCCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)cn1 1504897214 OGOZYBKXMWGIKQ-OAHLLOKOSA-N 450.569 0.910 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1519530866 PMFZKELUDBTMST-QGZVFWFLSA-N 478.600 0.721 30 20 JCED C[C@@H]1COCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1613011779 VVDOOQHHINIKPV-AEFFLSMTSA-N 460.560 0.798 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CC)NC(N)=O)C1 1777979703 GPKZMJSPYNQOPH-UTBIRPSLSA-N 493.605 0.864 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1779335452 GSLHCQGFRWOZKE-YCRNBWNJSA-N 485.647 0.745 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn(C)c(C)c3Br)C2)C1 1780363501 GUUTVGRBJIKGPL-PRPIBZDOSA-N 480.363 0.793 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N2CCN(C)CC2)C1 1780640781 JQBWNDCYYBBCHX-VLVHOKLOSA-N 451.612 0.937 30 20 JCED CC(=O)NCCC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170048 LXQUOOCDEDTPBL-XMMPIXPASA-N 491.589 0.883 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cn4[nH]cnc(=O)c4c2C)CCO3)c(C#N)c1 1781174857 VUXJDJXUYZBUQE-VWLOTQADSA-N 490.520 0.898 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)ccc1F 1781297270 QRBMSTLTISIMNG-QHCPKHFHSA-N 466.473 0.323 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1781310484 NBMJOAVWARRGKC-DVECYGJZSA-N 472.542 0.824 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1781400858 QJEPYGUJHLUXLP-IERDGZPVSA-N 466.560 0.871 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)CCO2 1783054541 YCCVHJCCRNKKMZ-AOMKIAJQSA-N 464.519 0.255 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCNC(=O)COc1ccc3scnc3c1)CCO2 1783055108 NQGKIHUDEOOONM-QFIPXVFZSA-N 456.524 0.645 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC#N)C3)C(=O)C1 1783314831 CPRLCVIHWLWWBF-HOYKHHGWSA-N 491.589 0.883 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C[C@H]2OCC[C@H]21 1783535442 DETGYVOJJSQGLP-UTBIRPSLSA-N 491.541 0.319 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1783662483 ACQVXHRXPFOPBV-SEPYTNNBSA-N 478.546 0.776 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784260679 QYTHMDBLAFQPFW-GAJHUEQPSA-N 480.562 0.869 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1784502985 MDOYTLRGLVFREE-ATIWLJMLSA-N 455.552 0.443 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccnn3CCOC)CCO2)C1 1785574226 CAUSTZCSHIDOJJ-KOSHJBKYSA-N 489.573 0.890 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1785575629 AQAHWGPQAKNPKX-ZHRRBRCNSA-N 463.531 0.686 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](CC)NC(N)=O)C[C@@H]32)c(O)n1 1785774167 RQXXOECIFVDEJA-QZHFEQFPSA-N 459.547 0.946 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785784432 ZADBUZUVPSRQNU-ONTIZHBOSA-N 499.612 0.984 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1788680070 IECNYNBOOFBKLC-NRMBDNKZSA-N 471.470 0.448 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C\C(=O)NC4CC4)C[C@@H]32)c1 1789258726 SSWAOHIWKPJOER-FVRQSISCSA-N 452.511 0.995 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C[C@@H]21 1790794436 LGVGYYSKMXWKIE-SXYSDOLCSA-N 455.511 0.371 30 20 JCED COC(=O)C12CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C[C@@H]43)(C1)C2 1791016809 CDXUPLOBQZQIKH-RIMNCLFASA-N 463.531 0.838 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1792272995 XFPVFNBNSXRHBX-VGWMRTNUSA-N 463.535 0.039 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(-c2cccc(F)c2)n1 1794286185 UKLKKPKMZMJUCU-HGKCTWBKSA-N 469.521 0.891 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795084447 UDDIMLOXYOSHFW-SFNKJDCFSA-N 462.547 0.763 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CCC(N)=O 1795979990 BYOQKNOGQOZSCT-APFOCMHESA-N 463.579 0.687 30 20 JCED COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cn1 1796563361 OYIPUNHGIIDNFB-PXLRATQFSA-N 460.487 0.600 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1797121836 UVHVLXBQDHEBNL-NDLGOLERSA-N 487.557 0.707 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)[C@@H](O)C1 1797310312 XJWOABCWNUWRTR-SAOALYKGSA-N 464.563 0.888 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1797808985 VURDLUGHMDUQFO-INDWTEBFSA-N 456.503 0.550 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccccc2C(=O)OCCO)C3)c1 1798693735 KNLOSQVANSAUOI-CWPLJXCYSA-N 452.467 0.552 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1F 1799176855 IYTKPZKVDMIBQE-ZKZVPCBQSA-N 498.552 0.740 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799639429 MRCNXLMSKXDXAE-YRPNKDGESA-N 472.542 0.841 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[S@@](=O)c1ccccc1 1800209378 HGUOGTJFJMLKHH-LXBZJDIKSA-N 459.568 0.631 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCCCC2=O)c(C#N)c1 1800893569 HOYIQDQPQXDQHT-NHKMSHSESA-N 454.527 0.711 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2)c1ccc(O)cc1 1801057347 ZQPNWRSZSXPKJR-MUFBNLQYSA-N 479.533 0.794 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)N2C)C3)N(C(=O)OC(C)(C)C)C1 1801102765 YZMLTIICIRPKKI-STEXWYFWSA-N 476.574 0.762 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)C2=NN(C)C(=O)CC2)[C@H]1c1cccnc1 1802478906 WRGXYPLFGSQKRD-WPVDLGPGSA-N 452.515 0.554 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1802480103 AKVNHEZUIIMGCV-RXPVHBRLSA-N 452.519 0.279 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NC(=O)NCC)[C@H]1c1cccnc1 1802480141 BHRRBRBTBITVRU-BMBFMOIQSA-N 456.547 0.653 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCN2CCOC2=O)[C@@H]1c1cccnc1 1802480309 CAZHYJXESPQUSD-WHBFPRCOSA-N 455.515 0.788 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@@H]2c2cccnc2)c(C#N)c1 1807708504 VRBKYXKSPCCODT-NHTRMHBPSA-N 463.538 0.933 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)CN(CCO)CCO)CC2 1819847921 AXABWVVBTSWMBO-INIZCTEOSA-N 464.588 0.040 30 20 JCED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)cc1 1822166132 NBNGTDMZAMYEPW-LBPRGKRZSA-N 461.467 0.680 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cc(C)c(O)nc1=O)CC2 1822930669 SMASDOIQPNYYJS-CYBMUJFWSA-N 475.527 0.835 30 20 JCED Cn1c(=O)c(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)nc2ccccc21 1825667519 MNHLJZKGGYBLLA-LLVKDONJSA-N 451.464 0.704 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829137334 HWUPCDBNEVWQPS-BVZFJXPGSA-N 496.520 0.217 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1829330577 LESRYVHKERJRJZ-KBMIEXCESA-N 496.520 0.053 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)cc1 1829635932 QZZGXIPHRWZOEY-XMMPIXPASA-N 481.509 0.522 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1831418200 AYCVGZJPIQWAKB-KHCICDEESA-N 463.575 0.825 30 20 JCED CC(C)c1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1832788817 GZGWAURMBUJEOW-IFXSCVBMSA-N 479.534 0.721 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)cc1 1833497965 TUIXSDAEQLILTP-QHCPKHFHSA-N 465.466 0.625 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565882 WWZJCOHKQWOYQR-VGOFRKELSA-N 496.586 0.497 30 20 JCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)cn1 1834530347 FCEUPGZVTDJVSQ-QHCPKHFHSA-N 451.483 0.935 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1835119797 FIDXEAZIXZQCQX-ONEGZZNKSA-N 492.642 0.345 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(C)=O)CCO2)C1 1835200615 JNHDBLOCAZBOLM-VGSWGCGISA-N 484.550 0.268 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c(O)n1 1835305086 RNDGJBOJUOPAAH-WZONZLPQSA-N 458.515 0.254 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2)c1ccc(O)cc1 1835413992 PEDXQTUXPVIMOX-QFQXNSOFSA-N 483.565 0.968 30 20 JCED CN1CCN(CC(=O)N2CCC(N3CCC(NC(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)CC1 1835769687 ZFRWPNDWZQXMBP-XSICDPOBSA-N 478.638 0.334 30 20 JCED CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)CC1 1836675982 PNNODEMNXHEURD-HSZRJFAPSA-N 475.977 0.529 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836977097 BPGCVRUTHXRPHG-GVFUYMABSA-N 458.563 0.761 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836993270 YDHCRSPHJQBFAZ-YADARESESA-N 473.526 0.661 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1837441050 OTJJEDDCYHUDAP-NRDUTDNZSA-N 499.547 0.948 30 20 JCED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837488484 HRMVYQAJOQCGPL-QHCPKHFHSA-N 458.515 0.254 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837529717 CZGIHDQGULYGLJ-BOHFAMFTSA-N 452.508 0.012 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)no1 1837533405 SKTKITJVRAIYLO-YHAFYQSGSA-N 450.492 0.511 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837630040 ZHVGVCDYZMPJLC-XMMPIXPASA-N 470.526 0.175 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1837658593 QBNLYWJOZKHVSC-ZHIQAQTNSA-N 485.541 0.455 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)cc1 1838499275 ZMYPFQJIRRBLCV-RUZDIDTESA-N 488.504 0.274 30 20 JCED COc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838732551 VKHYWLOEOBIFJD-HSZRJFAPSA-N 453.499 0.993 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCc5cccc(C#N)c5)C4)C3)CC2)CC1 1839106148 FLEIOTGMKSVJNS-AREMUKBSSA-N 495.624 0.727 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1839184780 CNHRYXGQCVFPMN-HXOBKFHXSA-N 492.577 0.745 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1839185301 WBSDOAXTUVHWQG-OPAMFIHVSA-N 478.550 0.734 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419792 VDOWJFPUHXZUHO-YCRPNKLZSA-N 467.519 0.448 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1839421932 UHTLUPZUJIJETD-WIYYLYMNSA-N 465.503 0.345 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1839477161 ZZYXNSADDUWWSY-JOCHJYFZSA-N 490.513 0.813 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)nn1C 1839486491 WZTKQCMXLVPNNL-XMMPIXPASA-N 477.525 0.789 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(O)nn5)C4)C3)c2c1 1839487586 OGPSMARWVZOKCJ-QFIPXVFZSA-N 463.454 0.314 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839875650 RTQWRRZBAIVOKO-SMGXNKOPSA-N 492.573 0.048 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(C#N)c5)C4)C3)(C1)C2 1840006272 XBYMADCBHBQVLI-KXTRFFEISA-N 453.495 0.972 30 20 JCED CC1(C)C=C(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CN1C(=O)c1ccccc1 1840086488 VFWHDLZDEMFGLI-SANMLTNESA-N 495.532 0.392 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840089272 REROUILWWHESED-YCZYPVKCSA-N 498.577 0.885 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1840165825 LJXVKAVGPMQATE-ORAYPTAESA-N 460.549 0.618 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1840173162 FXNISJKNXBSFOB-IEGUWTFLSA-N 467.563 0.637 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1840174556 LKTPLUWCFOUVAG-UUOWRZLLSA-N 496.605 0.781 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1)c1ccc(O)cc1 1840221682 FQFGFOJGIOUDJF-JLRUASKGSA-N 453.539 0.874 30 20 JCED CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)OCC 1840281827 QSFJDRMVRHMMRU-WWOVWOHCSA-N 454.568 0.704 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840819730 BRZQKWZDJDTOSQ-OAQYLSRUSA-N 470.442 0.339 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)cc(C(F)(F)F)c1 1840921112 DDIXBSDXNDXPKG-LJQANCHMSA-N 469.420 0.315 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(SC)c(OC)c2)c1=O 410014177 XEGBYCKXPIOVAA-UHFFFAOYSA-N 488.635 0.612 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc3ncccc3c2)c1=O 498142263 ACINLKINHXGNEG-UHFFFAOYSA-N 463.563 0.429 30 20 JCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 505937961 IVCWAILRRCAXGB-KRWDZBQOSA-N 465.576 0.178 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc4ncc(Br)cn4n3)CC2)cc1 508295029 GIVBZZXPHQVROW-UHFFFAOYSA-N 476.316 0.905 30 20 JCED N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cn1 509649324 HLRJRKFNCXNDTC-AWEZNQCLSA-N 456.527 0.219 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COCC(=O)NCc3cccnc3)CC2)cc1 524442447 KOBICNOXZNZPHM-UHFFFAOYSA-N 457.512 0.119 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)c1=O 725786006 YTMPURUAIBPEAQ-LJQANCHMSA-N 489.598 0.500 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1=O 726043571 XWCAJJGDBJOUHT-UHFFFAOYSA-N 463.468 0.102 30 20 JCED C[C@H](OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CCC#N 728721690 WHIDUOAMEFJDDH-FZMZJTMJSA-N 462.322 0.392 30 20 JCED C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 729789663 KXKVXXKYGRPOCS-CVIUTVQRSA-N 451.549 0.275 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)cc1 918247669 COSVLITVYUYKAV-ULJHMMPZSA-N 461.500 0.464 30 20 JCED CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCS(=O)(=O)N1CCSCC1 1288088663 NUGOSFVDWXKERA-UHFFFAOYSA-N 469.637 0.925 30 20 JCED CCN1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1313911455 JZAXTCHWOJZSRD-FGTMMUONSA-N 467.596 0.214 30 20 JCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 1465567722 KOSVQDTVEUAZPW-IYBDPMFKSA-N 459.528 0.944 30 20 JCED CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617305136 AXNXYYNEWQXBAI-INIZCTEOSA-N 458.548 0.537 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](CO)C1 1637732742 QRZHGJPBTONAOF-AWEZNQCLSA-N 452.533 0.555 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)NCCc1ccccc1 1692537282 FNXXZWAMRICFGG-HXUWFJFHSA-N 464.574 0.952 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@H]2C1 1705689137 YZPXATYRRPTPQW-KBPBESRZSA-N 489.396 0.331 30 20 JCED CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1=O 1728595665 SFEBYMRNIXAHHD-UHFFFAOYSA-N 472.571 0.815 30 20 JCED CNC(=O)c1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1769185909 SIWYNUHYHMJUAQ-YJBOKZPZSA-N 475.575 0.615 30 20 JCED COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1769860615 MPTBOZIXONNWQY-FQEVSTJZSA-N 489.602 0.451 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1777773477 UXFNTZIGPGCLKG-IYZQMXKPSA-N 452.515 0.648 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1779037660 HBVVSDTWDSOELF-QFIPXVFZSA-N 459.572 0.423 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)cc(OC)c1)C2 1779203005 IECCTZFGHYJRDA-KKLQWCBXSA-N 474.514 0.759 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1779277594 HQQVNIUNXTYFNE-SAHWJRBASA-N 464.563 0.976 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C3)c1 1780091434 PASGSPMMOTXPGU-WZONZLPQSA-N 472.498 0.237 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(N3CCN(C)CC3)CC2)C1 1780652591 FUJWQWJYJPYSNP-YOSAUDMPSA-N 462.635 0.853 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCNC2=N)C3)ccc1F 1780756443 AHFSLXVQDAHEDH-AUSIDOKSSA-N 456.522 0.594 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cn(C)nc2OC)CCO3)c(C#N)c1 1781174366 MUOHPGHCKSYCSG-QHCPKHFHSA-N 453.499 0.995 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1781311090 NFISMRAZQIWSEO-HYBUGGRVSA-N 482.541 0.979 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1781601129 RXDNORNVUSGWFT-MTNXABLMSA-N 491.614 0.230 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H]3CCCS3(=O)=O)CCO4)c2c1 1782199676 VEDVTFHKUNZVSF-UTKZUKDTSA-N 457.512 0.455 30 20 JCED COC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783782185 QGFAKKQUXNIEMX-VFNWGFHPSA-N 488.607 0.774 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CCO2 1783889130 QFPOTKMSOIOZCU-RHFWPVLJSA-N 477.649 0.797 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2)c1ccc(O)cc1 1784010298 UFVFOTZWWDPHNH-SIBVEZHUSA-N 491.548 0.973 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc(C)c(O)nc1=O)CCO2)c1ccc(O)cc1 1784022030 KQNMUIBKGSVVCP-FQRUVTKNSA-N 494.548 0.990 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)OC)C3)C2)N(C(=O)OC(C)(C)C)C1 1784264143 PTKCJIHOHIPDJB-AOMKIAJQSA-N 466.535 0.738 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1785576771 MZKHSZSDASXFHT-VFNWGFHPSA-N 469.560 0.551 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1785576904 QJOSUGBETBZGBK-HOYKHHGWSA-N 472.542 0.745 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)[C@]34CCN(C(=O)OC(C)(C)C)C4)C2)C1 1785622917 ZINKOQNUOKARKF-YBERMKTASA-N 496.630 0.508 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)cc1 1786693391 SCKGMBVDGFHDTE-ZULIPRJHSA-N 474.583 0.945 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cc2ncccn2n1 1788304263 WMEAEUTYIUGSPQ-GZGPQLLCSA-N 456.503 0.852 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)no3)[C@H]2C1 1788978422 RWXBGLJLLPHEEE-MPTYRVRUSA-N 462.503 0.890 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1789890676 BYMWPQBIDSKUMB-FHWLQOOXSA-N 455.515 0.761 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCN(C)C4)[C@H]2C1 1790525131 PZQPCVLZKFOGHK-GIUOSPMZSA-N 459.591 0.885 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)CC1 1792635927 OLGCTMQZYKJFLB-IZZQQSIFSA-N 463.579 0.678 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)c1 1794321176 MNEIFCBHGXFILH-CWPLJXCYSA-N 494.533 0.750 30 20 JCED Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C3)n1 1794592368 SYSNPHAOZPYCBU-BJWYYQGGSA-N 487.561 0.559 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795081315 YWVLRRDSKAHFRK-LVEJAMMSSA-N 450.536 0.810 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]cnc1-c1cccnc1)C2 1795599453 KGBBPJNRKZICLI-BCDXTJNWSA-N 451.531 0.957 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797237899 WGHSVXPREMWELP-IIZPIQPGSA-N 493.649 0.683 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1797709496 KFKOMQZCSOVQBM-INOFNZCTSA-N 481.590 0.521 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798493717 HNYLEATYTPCRAR-GVNJEPHMSA-N 453.492 0.648 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2 1800020922 NRRDZJPGMSTVNA-FLXSYLCISA-N 489.573 0.920 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1800711893 BCSSKOQFMWXBIZ-OLMRKFRDSA-N 467.494 0.403 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccnc1)C(=O)C(=O)O 1802579323 BHNWJDRATKSIPQ-SIKLNZKXSA-N 463.494 0.745 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1807149533 IELSKBCSJLJUIA-DYESRHJHSA-N 452.515 0.294 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1807948941 KHLJXHIJFXODET-QRWLVFNGSA-N 487.455 0.852 30 20 JCED C[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1822379842 ODGZMWDXOZNYBL-AAEUAGOBSA-N 474.547 0.167 30 20 JCED Cn1c(=O)n(CC(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c2ccccc21 1825667887 SCTCMXAQBRVTDZ-LBPRGKRZSA-N 453.480 0.497 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828629486 YLCWJWGROMQBNS-DEOSSOPVSA-N 483.525 0.566 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)Cn4cnnn4)C3)C2)CC1 1828921029 JBSXWUMURGTEFA-QHCPKHFHSA-N 478.513 0.429 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1829260234 JSZXYYFXTYOVFU-RUZDIDTESA-N 478.505 0.387 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)[C@@H](N)CN)C3)C2)CCC1 1829451484 JHWCKALYBJDGJF-CYFREDJKSA-N 468.558 0.418 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1830881036 RGSCZASURLEXCJ-SBUREZEXSA-N 478.546 0.382 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)n(-c2cccc(=O)n2C)n1 1831214965 DOHZKILBBOGPFO-VWLOTQADSA-N 479.537 0.363 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1831388166 UYXMOUDUOINJJB-AOMKIAJQSA-N 462.503 0.271 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1831393279 VSNDWGOXROPNSP-VIICAESSSA-N 485.581 0.382 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)SCC(=O)N4)C2)C1 1831394157 XRFACZKDYIFAEO-WAIKUNEKSA-N 473.551 0.839 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1831424427 IVNATYSAMGSZIK-PMAPCBKXSA-N 484.594 0.276 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832799693 BYBZXSSXMLMIGX-HNAYVOBHSA-N 452.468 0.049 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1833074370 MALSJGOIPHWECS-KEGWNNHHSA-N 468.620 0.097 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)CN(CCO)CCO)CC3)CC2)c1 1833237780 PYHVSHRYATUPRQ-UHFFFAOYSA-N 485.629 0.349 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)c(O)n1 1833698833 NRYLXAOYCSSALE-QFIPXVFZSA-N 457.487 0.718 30 20 JCED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cccc1=O 1833875955 UCIVVPLPKJWTFG-DEOSSOPVSA-N 466.494 0.406 30 20 JCED O=C(CNCP(=O)(O)O)NC1CCN(C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1834665215 ACEKODBRCSNQQN-ONEGZZNKSA-N 498.542 0.783 30 20 JCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1835440655 WVAYZHSLFFEBGH-OAHLLOKOSA-N 460.666 0.548 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835530296 HWCFTRUSVQVEHM-BSRJHKFKSA-N 468.595 0.897 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CN)CCO3)N(C(=O)OC(C)(C)C)C1 1835533088 LKQYMUQQCDOPCU-IEGUWTFLSA-N 466.579 0.603 30 20 JCED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835598380 NHRWRFAJYIPJBX-YWBKXGLFSA-N 454.531 0.878 30 20 JCED CC(C)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(C)C 1835893868 FYMXKHGOKJVMTR-WMZHIEFXSA-N 451.612 0.747 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)CC1 1836526573 XVMATMVUKAYHHT-HSZRJFAPSA-N 451.483 0.539 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1836866820 ZYSHTPFUJHRWQG-GOSISDBHSA-N 471.620 0.307 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)N2C[C@H]4C[C@H]4C2)CCO3)c1 1837286343 HIXJVDOEIFKYGP-PPPPCMEOSA-N 468.554 0.977 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837399382 SDQSJBZMRWKVHN-HXOBKFHXSA-N 462.547 0.568 30 20 JCED Cc1onc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1C 1837526259 UAEQTWOTBBPGFM-CMQXEDBBSA-N 450.492 0.890 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837531857 YNABTEHGSSEWAY-WPQMSITRSA-N 486.529 0.257 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869463 SKZLUZLTFPPPKF-GOSISDBHSA-N 467.567 0.331 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(-c3ccncn3)noc1C)CCO2 1838490887 KISJHVQOMVTDCZ-WRAFWBCBSA-N 496.524 0.368 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(OC)nc3)C2)C1 1839173211 FFWGDPACZPPKCV-XMMPIXPASA-N 475.542 0.989 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839185419 YUXFTQRQYSYJKV-GAJHUEQPSA-N 482.578 0.391 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1839228523 GLBQCRZHSZFJHC-DVECYGJZSA-N 474.558 0.982 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486212 NLPILAOJEWSIGU-CMJOXMDJSA-N 468.514 0.419 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)nn1C 1839486490 WZTKQCMXLVPNNL-DEOSSOPVSA-N 477.525 0.789 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc6n(n5)CCC6)C4)C3)c2c1 1839488298 JYNSSGCASSBCBH-DEOSSOPVSA-N 475.509 0.961 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839633623 MZBQEUBHQMUYCK-PLGXJTBGSA-N 481.553 0.067 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCc5ccc(O)nn5)CCO4)C3)c2c1 1839651860 KLOBKWXPBLOCHJ-DEOSSOPVSA-N 491.508 0.633 30 20 JCED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1839861825 LROFKMVGGFZEQN-QHCPKHFHSA-N 458.515 0.552 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1839871442 IHRUZDJPGCCFPQ-WZOHSFFVSA-N 469.538 0.482 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)cc(OC)c4)C3)C2)CC1 1839897305 MKEOBBKJFYBMFG-QFIPXVFZSA-N 457.483 0.590 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840170047 YGDPMSQLPDDLGW-IMWIBFENSA-N 479.574 0.617 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)OC)CCO2)C1 1840212498 LEXFWSGXUXXNQS-ROEJJBDBSA-N 467.563 0.947 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1)c1ccc(O)cc1 1840221001 OSZAKCCFQJCYBM-WXVUKLJWSA-N 457.527 0.480 30 20 JCED Cc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c1F 1840818753 WATYVNROSHDNQP-HSZRJFAPSA-N 471.489 0.888 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)CCO2)C1 1840856206 IGHDGAZTIBCGDA-YBGOQADZSA-N 491.560 0.920 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COCCO)C1 1845213342 CEUATVFMTCZBJI-INIZCTEOSA-N 484.550 0.004 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1845255546 FNZZSIGWQVFZNB-HRCADAONSA-N 465.576 0.171 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1847071625 KYFBSELLOMBUEF-LJQANCHMSA-N 473.618 0.886 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc3c(c2)CCN3S(=O)(=O)CC)c1=O 23297495 CZJPARMHJNYYGM-UHFFFAOYSA-N 460.512 0.139 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 26069409 LHPPZIQORLMPNC-UHFFFAOYSA-N 493.563 0.880 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 108793629 IIKYOHOMHDCBAJ-CQSZACIVSA-N 462.484 0.823 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1cccc(NC(C)=O)c1 497554724 JIQCASDCDZXJRY-UHFFFAOYSA-N 469.548 0.580 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 523476369 GITQKFQUXHKSPQ-AWEZNQCLSA-N 460.512 0.509 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3ncccc3c2)c1=O 523477956 UHSRFDPJOUCUDJ-UHFFFAOYSA-N 452.536 0.760 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3F)c2=O)cn1 523579357 XYADFZOPIOGRRP-UHFFFAOYSA-N 453.499 0.616 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCc2cccs2)CC1 524107764 XWXJVVPZQVEDQY-UHFFFAOYSA-N 482.635 0.615 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)s1 524283025 ZTBMKYPDCLFLAD-UHFFFAOYSA-N 453.611 0.947 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(CC(N)=O)c1=O 589159034 GAIVJZFWYLSYTR-UHFFFAOYSA-N 463.471 0.518 30 20 JCED Cn1nc(Br)c2c(=O)n(CC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cnc21 727102558 RTMUFLRFUUONDT-UHFFFAOYSA-N 487.318 0.978 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1CC(N)=O 727162681 RMVGJPOCMAVEEE-UHFFFAOYSA-N 481.315 0.728 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 728534648 RPIWCBIWBWNAOK-UHFFFAOYSA-N 462.572 0.184 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@@H](C)C(=O)N3CCNC3=O)nnc12 729363697 LTLPXJIQAZUIRE-LBPRGKRZSA-N 456.484 0.806 30 20 JCED CCc1cccc(-n2c(=C(C#N)C(=O)N3CCN(CC)CC3)sc(=Cc3cnn(C)c3)c2=O)c1 839362049 QLYWWLYDLWZRCQ-UHFFFAOYSA-N 476.606 0.862 30 20 JCED N#Cc1ccc(NCCNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)nc1 918780703 MRFXEFNRTPKGOW-UHFFFAOYSA-N 454.516 0.958 30 20 JCED CCOC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314052686 KKGRBFVSXFMPJQ-ROUUACIJSA-N 481.623 0.603 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1316360305 SYYKSBWMMVTSEK-SFHVURJKSA-N 456.532 0.468 30 20 JCED Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)CC2)cn1 1503657544 KPSHSHANSDZTMP-UHFFFAOYSA-N 455.548 0.426 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1517615190 IVAQWZQXJXIGIS-UHFFFAOYSA-N 461.548 0.625 30 20 JCED CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1547773249 RMZPBSLVASYGPT-UHFFFAOYSA-N 460.564 0.560 30 20 JCED Cc1cc(NC(=O)Cn2cc(Br)cc(C#N)c2=O)n([C@H]2CCS(=O)(=O)C2)n1 1559420606 ZYXFDCAMRRSDTM-ZDUSSCGKSA-N 454.306 0.986 30 20 JCED CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1620159817 YBOICTCDNZRVFK-GOSISDBHSA-N 494.599 0.388 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1633992117 JLUOIBRPFUPPQT-HNNXBMFYSA-N 454.574 0.642 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1711418958 UJIUDLKKQCUCCU-GOSISDBHSA-N 456.532 0.677 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1746461135 YYJIJMIBJRPSPI-QKLQHJQFSA-N 470.619 0.604 30 20 JCED CCOc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1767641917 QLVPWCNFXBWVTB-MAUKXSAKSA-N 474.591 0.907 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1770740809 NXGGXJWNJIBAAS-OAQYLSRUSA-N 496.540 0.665 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778707847 REWUZKRBHYKLEG-FUMRIQNTSA-N 452.467 0.123 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1)c1ccccc1 1779091807 FNDCEWFLENJLDS-PWWKTKHKSA-N 455.555 0.664 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1)c1ccccc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c3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1781188329 RHFZWFUGKVGFHT-FUMRIQNTSA-N 472.498 0.834 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)CC2=O)c1 1782009673 UDSOHDQOBUWCPI-WVFSIPRWSA-N 483.521 0.650 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1782107879 OOVLSAIKSHZXGW-UTBIRPSLSA-N 495.621 0.563 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]32)cc1 1783606325 OUVMGAQRLBBORY-ULQDDVLXSA-N 452.433 0.759 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1)n1cnnn1 1783782268 SBSRGTSPJXHCLC-PZPWOCDFSA-N 497.622 0.666 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088711 QEVTWJJKCYRBHN-YRUKQIKQSA-N 495.573 0.998 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4C(=O)C=CC4=O)[C@H]3C2)c1 1784804932 SDENZSKZOPXUTR-IHPCNDPISA-N 450.495 0.775 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785784155 OEGDHDSVBOLSPM-LNLFQRSKSA-N 468.558 0.551 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2C1 1791986795 KDSAITUKEQXGRH-LJZWMIMPSA-N 458.515 0.971 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)nn3C)C[C@@H]21 1792261776 QBFQRRKCAMLORS-DWRORGKVSA-N 489.573 0.939 30 20 JCED CC(C)(C)OC(=O)N1[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C[C@H]2C[C@H]21 1792265719 XRFCAVOPJVHNLG-RFSXOUPVSA-N 461.515 0.452 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1792266636 ACPKUCYMABVJNX-XCUWFEJPSA-N 478.546 0.544 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1792450275 GGWMDNRMGZZFPF-BIWGCHKCSA-N 450.536 0.498 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1793348902 PNXOWTCGZUQVSR-MFCZKXCZSA-N 460.531 0.565 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)cc1 1794088957 VQMMLNVJROXPEG-WKCHPHFGSA-N 458.584 0.859 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(C#N)cc2)C3)n(C)c1=O 1794249578 JIYWMGIFCXICTR-REPLKXPHSA-N 489.536 0.186 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@](C)(O)CC(=O)O)C3)c(O)n1 1794490349 DZJGELOPWSLQSK-SYSSGKLFSA-N 461.515 0.725 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)cc2)C1 1798921055 ARPPRSFTOXIFFO-FDKIHUSFSA-N 484.553 0.989 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1799232840 GEEYCROXBIBASZ-CLWJZODNSA-N 487.557 0.670 30 20 JCED CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1799407732 HHYTYPDFASVSAE-UIVXKWKOSA-N 499.511 0.946 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C3)c1 1799799734 TYIDKCRFBDPSES-RPCVNMKUSA-N 455.540 0.872 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(Br)cc1F 1800437631 LEWBUHAPNCKQSQ-DBWKPXFBSA-N 453.264 0.808 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)[C@H]2OCC[C@H]21 1800768323 AZFUIWAQCZHKIC-FPMBYBGASA-N 462.547 0.904 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800778918 WBWKPYZNPVXFOC-GFAJBQDWSA-N 463.531 0.748 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2 1800800310 YNSVUGBMXWHZBP-UXDQUXDASA-N 487.619 0.987 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1800973660 LKHJMGWDMLIPOZ-ISIBIEBGSA-N 463.531 0.748 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)C1 1801052612 VJRMMLKEEZCFIH-VTLVOZJLSA-N 490.557 0.660 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1807146357 XNSDNPGCEKTYRI-PZJWPPBQSA-N 490.630 0.795 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810331337 ZKGZDUSPLQPEDX-HLAWJBBLSA-N 472.542 0.851 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1810388869 RLRIACKZGXHSQA-JQQKAACSSA-N 452.471 0.398 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)c2n[nH]c3ccc(C#N)cc23)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812072101 ZHJPJGBWXMXKHY-IERDGZPVSA-N 489.492 0.692 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815670967 SGDVMQFHAKAHGG-IAGOWNOFSA-N 467.592 0.705 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2 1819856444 RXIJWYLKPYLYCX-GOEBONIOSA-N 479.559 0.832 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1819907030 LSLNWIDHNKAVTP-PZKYOYOPSA-N 461.500 0.509 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1825716005 WVDKVKFNMOPLNH-BZPMIXESSA-N 478.527 0.513 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1828808130 KTWGLXOZMWUCLH-XMMPIXPASA-N 491.508 0.555 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)CC1 1828921567 ZAVMXOVHXVXEKG-CLOONOSVSA-N 479.537 0.878 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)C(=O)N(C)C)CCN2C(=O)OCc2ccccc2)C1 1828936384 UJGRIOUSFKNTGM-OPAMFIHVSA-N 462.572 0.845 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C1(O)CCC1 1829739683 CTHHQAJBKAEKJZ-VWFYRTMBSA-N 453.536 0.523 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)cc1 1829896103 LDVSAWUSDKMVNP-QHCPKHFHSA-N 458.584 0.606 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCO2 1831109471 IXLDZLRCUZUQGF-ATIYNZHBSA-N 465.550 0.905 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207939 BKXLDCGQRWPHJZ-CYFREDJKSA-N 475.542 0.435 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1ccc(F)cc1 1831218630 YGEJGIFQBCIDJO-UPVQGACJSA-N 457.502 0.873 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1831421630 NEFJTOIOKZXDJL-HTAPYJJXSA-N 481.571 0.287 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831462644 CJSQYUPZBHRCMZ-ZHRRBRCNSA-N 481.546 0.377 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1832000340 MZHAJBDAWHYXSB-DGGJZMOXSA-N 497.593 0.359 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCO2)c1ccc(O)cc1 1832381563 YNHOFCAUJKEGJX-FQRUVTKNSA-N 496.564 0.954 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833150032 XTZKSYMADSTQDL-SFHVURJKSA-N 492.621 0.876 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C\C(=O)NCC=C)C3)C2)c(O)n1 1833696162 SWTJOPPSOCRBBE-JRUKXMRZSA-N 484.553 0.834 30 20 JCED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834665793 XYDWXKFROLVNAQ-UHFFFAOYSA-N 452.439 0.494 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1834761303 WPVNBNMEOAIRHS-QHCPKHFHSA-N 488.545 0.617 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)cnc2C1 1834763738 VHFIPGPPOMBGSQ-QHCPKHFHSA-N 488.545 0.617 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccc1C(F)(F)F)CCO2 1835018377 WNOOSQYLFSDZOR-FQEVSTJZSA-N 454.401 0.792 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)c1 1835703504 VMTNSRFQGGLVTG-XUZZJYLKSA-N 465.510 0.732 30 20 JCED O=C(/C=C\C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)NC1CC1 1835768917 GXTVCAJQOLOBTB-AZJMDXHJSA-N 475.590 0.922 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837297352 SIWHSFLXKUBVSC-DNQXCXABSA-N 487.509 0.687 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837315813 NQOHYVNQAZUXSJ-GOSISDBHSA-N 452.426 0.531 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1837396160 CPDFLSOTPPECTC-GCJKJVERSA-N 450.536 0.173 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C2)C1 1837396759 JKTKEJCSTHZLEL-HYBUGGRVSA-N 494.610 0.798 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837400307 CLTZFLBWCQKVSS-HRAATJIYSA-N 461.544 0.729 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc(O)n1 1837491256 MIIGZYKJGHYULH-XMMPIXPASA-N 457.527 0.864 30 20 JCED CN(CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)C(=O)OC(C)(C)C 1837526836 GQXLSFDANFLGHP-XTXAWSSWSA-N 498.577 0.839 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837756283 VUDWJGUNPHCTEO-NRFANRHFSA-N 450.561 0.914 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(OC)nn2)CCO3)c1 1838350100 GAMMLUIFGBGGDP-QHCPKHFHSA-N 467.482 0.749 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn(C)nc4OC)C3)C2)c1 1838580964 XFMXNPNECKCQDC-QHCPKHFHSA-N 469.498 0.693 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838619585 FFDIFZQAZJGGQB-UHFFFAOYSA-N 451.520 0.986 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1839044246 UTPSPJCPAHJERJ-RUZDIDTESA-N 494.573 0.400 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1839173746 JPFDLSQCVKVXKX-HSZRJFAPSA-N 471.514 0.617 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210471 QIACDINZYIQSRT-FDDCHVKYSA-N 467.563 0.522 30 20 JCED COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1839401695 WCSKQNFXYLKYNX-FQEVSTJZSA-N 495.330 0.747 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cc(C)on4)C3)C2)c1 1839452714 SCWCYCXIFUYJLZ-XMMPIXPASA-N 481.509 0.663 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1839671312 YERAWIRPFTVOCI-BXKMTCNYSA-N 481.509 0.958 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccc4ccccc34)C2)C1 1840040936 GQCQJENXYXZRIE-XMMPIXPASA-N 452.463 0.763 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C2)C1 1840156937 YLPCFWHJCLNMCX-WZONZLPQSA-N 462.616 0.827 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840422408 XKFLZTWOGJVYHR-BSRJHKFKSA-N 490.561 0.212 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c1 1840716409 JGWYVCPWEWLOCI-UOKFIYJESA-N 473.526 0.999 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840818407 ANDUUFAZCYGOGH-HSZRJFAPSA-N 468.466 0.106 30 20 JCED C[C@H](NC(=O)c1ccccc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n1cc(C#N)c(=O)n(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1=O 14146347 HAPSIDLBSLDIKF-SXGWCWSVSA-N 471.470 0.893 30 20 JCED CCCNC(=O)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 31159733 PAFYWNWEYDYUDW-UHFFFAOYSA-N 476.603 0.565 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 515361033 FXBLTFTUUVEIJN-IQGAEYHTSA-N 454.508 0.198 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCN2C(=O)c3ccccc3C2=O)CC1 516579609 BZGNUNCCMMYXEX-UHFFFAOYSA-N 467.507 0.870 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccc3C)c2=O)cn1 522389803 QBGVVTXQJSXIKW-UHFFFAOYSA-N 492.605 0.375 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1OC 590997376 KENVQBLNLYTNQG-UHFFFAOYSA-N 484.578 0.213 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2C)c1=O 603795403 ODRSBYJEMCTAPC-UHFFFAOYSA-N 484.622 0.596 30 20 JCED N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 608912063 MKIDBIRTOPFTKJ-UHFFFAOYSA-N 468.516 0.370 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCNS(C)(=O)=O 608912093 CMHMEMHAEMCOFR-UHFFFAOYSA-N 476.624 0.414 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)C1=O 726041299 ZSUJPKPWGNMCGE-GJZGRUSLSA-N 458.471 0.759 30 20 JCED Cn1c(=O)c(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)c(N)n(Cc2ccccc2)c1=O 727007982 JJJORIGBFMWEHY-UHFFFAOYSA-N 475.461 0.205 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CCS(C)(=O)=O 729671294 LEZDBXYBENFKCR-UHFFFAOYSA-N 483.999 0.646 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 821694095 LWCQCPPBRCKNHZ-UHFFFAOYSA-N 487.494 0.525 30 20 JCED CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 856694919 XPSXBCPLJIKMPW-HNNXBMFYSA-N 466.516 0.725 30 20 JCED C=CCNC(=O)[C@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 916918059 PKJXXDKZQVKZAJ-MRXNPFEDSA-N 459.528 0.538 30 20 JCED C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1288599685 RUQDDJBHXAOVGZ-IAGOWNOFSA-N 452.567 0.841 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(O)CCOCC2)CC1 1288985775 CNKYREREGYXBKE-KRWDZBQOSA-N 482.607 0.673 30 20 JCED CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1297272968 VMMFYVFHEAWCQP-NRFANRHFSA-N 478.550 0.702 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1315068726 XXZGJNFHPUJAQN-SFHVURJKSA-N 459.576 0.524 30 20 JCED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCO1 1504735955 QKKYCPFWIBKVJB-GOSISDBHSA-N 464.548 0.472 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1518521633 YQTSAEAKAXMUIW-MRXNPFEDSA-N 456.503 0.877 30 20 JCED CC(C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1607938515 IXBTUGODADAHEA-DLBZAZTESA-N 452.567 0.946 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CCO1 1618709777 NCJZHACHSZWIGX-OAQYLSRUSA-N 481.557 0.938 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(Br)cn2)CCO1 1620356383 XZXPYRXNCSZTDU-GXTWGEPZSA-N 470.353 0.568 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(-c2ccccc2)c1 1692799057 FFQGCCWQFIJFBA-MAUKXSAKSA-N 456.532 0.851 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1710264858 OWUNXJYCNAWBKX-JTDSTZFVSA-N 456.592 0.356 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3C[C@H]3C)CC2)c1C#N 1725865025 UZJYGYDJZOHJFR-KBMXLJTQSA-N 461.596 0.785 30 20 JCED CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1729545224 VUKFPLOOPSMNLX-UHFFFAOYSA-N 469.546 0.356 30 20 JCED CC(C)(O)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1741253152 ZKOQKOTUOLKLCC-RBUKOAKNSA-N 490.586 0.615 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1779066475 ZQPMTPXFJGLBJC-DEOSSOPVSA-N 486.594 0.420 30 20 JCED CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1780975430 MOWJYPHJQVKRFN-FQEVSTJZSA-N 467.931 0.828 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1781269601 BMEIYLCURQYLKX-GGUMNFRJSA-N 495.573 0.554 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1781383839 QYGULWUUBLDRCO-NFBKMPQASA-N 487.594 0.704 30 20 JCED Cn1ncnc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783779667 KJUNLVXCJHFVMQ-SPLOXXLWSA-N 482.607 0.860 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1785305734 CCXMEMXIMABQAR-QZMQVMSPSA-N 464.563 0.954 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785667504 ZMCMLOYWNQQLFK-KOSHJBKYSA-N 494.589 0.487 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4nc(N)n[nH]4)C[C@@H]32)c(O)n1 1785773391 BYSBFUOFMCKBNS-WBAXXEDZSA-N 469.546 0.832 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5nc[nH]c5[N+](=O)[O-])[C@H]4C3)c2c1 1787479655 YNZULQWPFIKFLF-NOLJZWGESA-N 464.442 0.973 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1ccc2ncnn2c1 1788452098 OXYLCLFQPHQLAZ-AIQLCDAESA-N 456.503 0.852 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1788639178 IBNGUJIBAIPOAL-AUEKSGIPSA-N 455.508 0.262 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1788658720 MVCKGBRZLIJFDK-WGOODIMQSA-N 459.503 0.529 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1790176421 RHMLWLUUOXYBDA-CGBFIWBNSA-N 458.515 0.995 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C(=O)OCC)[C@H]2C1 1791133145 PTIQYINHYUMKRH-QTMHVTGLSA-N 477.558 0.646 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc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c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1794406523 JTTAWCBBTULPGJ-FEJSZKPUSA-N 498.561 0.780 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1797586067 LHGAHZPAGVGVTA-KOZDUTSQSA-N 485.419 0.240 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1797707034 WCBYYAMCURZDLV-NNXQTKTDSA-N 460.531 0.155 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CN(Cc4ccccc4)CCO2)C3)c1 1798692559 SXKPWBQUCALSMR-MQFRRQCYSA-N 463.538 0.991 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1799091355 KNIQNGZZMNVLFY-QDMKHBRRSA-N 483.506 0.004 30 20 JCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)cn2[nH]cnc(=O)c12 1799327796 XORWQRMVJCTJCT-UPHUGPLXSA-N 478.484 0.788 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(C(F)(F)F)c1 1799785341 DSYJNICGJUDLHS-UKBAYJJMSA-N 482.459 0.931 30 20 JCED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1800110940 KTXMDNRAPGXYTD-FLXSYLCISA-N 492.598 0.314 30 20 JCED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1800839279 LPFYSOPFUNVBOQ-OPMZPASUSA-N 485.541 0.707 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1800989733 QMHMXVZIPXVCNZ-CWFFCZEZSA-N 477.583 0.666 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1800991850 KWQJWIQCVRCAFG-RVDAZCDBSA-N 463.575 0.997 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1)NC(=O)OC(C)(C)C 1801440628 BZYIAMQJWFLWBY-QLCXLMDBSA-N 477.566 0.683 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801528380 CQSSGLVWELVADY-DFGXFYAUSA-N 473.592 0.480 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1802088237 YCCFJYJKSIBXJF-YYIAUSFCSA-N 478.546 0.726 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1802408212 VSWXMNHGFYNMTR-RDPQLHTDSA-N 476.574 0.855 30 20 JCED Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2c2cccnc2)c(=O)nc1O 1814039241 BUAWPWOBSCPBSK-XLIONFOSSA-N 461.482 0.872 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)Nc1nc3c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC3)C2 1824794088 SPEWKMKZFRPWET-OLZOCXBDSA-N 485.522 0.779 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828968136 YRCREJKMHAGHIO-DFBJGRDBSA-N 498.584 0.581 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CN)C3)C2)c1 1829181929 XQBULCTWTJBRCJ-QHCPKHFHSA-N 450.499 0.911 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1829903540 XQGJHSYUZAMZJE-AQHVHYGPSA-N 452.555 0.897 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1830853809 WBWIHAUYOXFWKZ-UUOWRZLLSA-N 493.557 0.568 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831207645 VKZRLGVDKSOMFV-AREMUKBSSA-N 481.549 0.637 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831340600 XZBKVVDWXNBAHT-QFIPXVFZSA-N 479.555 0.000 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1 1831999066 PIFIZHZVOJZLFL-OPAMFIHVSA-N 471.551 0.531 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1833434516 XYNCPKAIFPDOAN-DBNSOCDESA-N 457.487 0.657 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C(=O)O)ncn4)CCO3)C2)c(O)n1 1833490898 FLPZWJZOKWOVOV-DEOSSOPVSA-N 497.508 0.778 30 20 JCED C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1835531110 OFBUWCFYVRQNPF-VLIAUNLRSA-N 465.348 0.986 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1835677240 CORSVBBPKWUCOE-QPPBQGQZSA-N 485.541 0.459 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835677267 DJPLYEBPSSCUMQ-XMMPIXPASA-N 469.542 0.919 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1835778058 NPEKCAQBOHIRGS-ZMOGYAJESA-N 480.529 0.315 30 20 JCED N[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1cccnc1 1835834530 SVWFZUYEJKQJDS-ZGMIYEAISA-N 455.515 0.640 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cn1 1836381042 UFBGIOUJTCVIEY-XMMPIXPASA-N 498.561 0.882 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836685878 VLPBCQHFFUOQGI-WHSBFGAESA-N 487.597 0.935 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490404 CKCXAAVEFAYEJS-YADARESESA-N 471.558 0.432 30 20 JCED Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837493632 NILKZOQMXNEGKQ-YKSBVNFPSA-N 458.559 0.908 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nc1 1837528623 LQKLXMOLVXJCTM-VJIOCRDPSA-N 462.503 0.689 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1837532670 FAAXUWPAPYEJDV-HFSACFKOSA-N 461.519 0.395 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)NC(=O)C=C)CCO3)c(O)n1 1837694489 DBPLRLJFMMXDCW-XDHUDOTRSA-N 472.542 0.667 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837728381 YSTMMVPHJMXPPU-REWPJTCUSA-N 477.945 0.299 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)cnc1Cl)CCO2 1837852727 ZBMHMGRCHJPYFN-YOXWTLATSA-N 466.897 0.803 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)c(C#N)c1 1839132570 JBISMNQLZYCSHR-JYFHCDHNSA-N 493.564 0.531 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1839174955 GHMFVYIBHQWUMJ-OAQYLSRUSA-N 462.528 0.975 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839225003 VJYQJIIFLRJHPO-YCRPNKLZSA-N 460.491 0.306 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OCC(F)(F)F)c(F)c1)CCO2 1839244027 ZMBHWUWDTNNCGK-FQEVSTJZSA-N 488.390 0.925 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CCO2)C1 1839449608 USLHEFNGVLJNNO-HXOBKFHXSA-N 474.514 0.769 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c(Cl)c1 1839783965 GFIQXRBNMROTLU-RXVVDRJESA-N 481.958 0.859 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)CCO2)C1 1840008592 MRKBYRFZUMPFMF-IVZQSRNASA-N 498.602 0.527 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)CO2)C1 1840009092 WYDKWUZXPMGXQE-GAJHUEQPSA-N 478.546 0.382 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)[C@H]2C1 1840018774 SWXGGVXOGPSVMR-PLOUGOBLSA-N 492.573 0.628 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]3CCO[C@H]31)CCO2 1840071747 HHHKWGCAIXTQOB-UOUMEPNKSA-N 477.558 0.348 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)CCO2)C1 1840289890 QBMRSQAIDOTDID-NXMSCROESA-N 493.557 0.407 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1840293244 ODMPYWBFXIRNGQ-NRFANRHFSA-N 455.577 0.062 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1)NC(=O)OC(C)(C)C 1840795666 VOTGVIICWVBMMA-GAJHUEQPSA-N 485.578 0.921 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812558 XHDPTAHBELQHBU-HXOBKFHXSA-N 480.562 0.412 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1840818978 IGLWTQXOOZBBBU-QFIPXVFZSA-N 473.917 0.944 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 108793627 IIKYOHOMHDCBAJ-AWEZNQCLSA-N 462.484 0.823 30 20 JCED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1C(N)=O 510088801 UUTZULSMWNCAJI-UHFFFAOYSA-N 455.496 0.437 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)o3)c(=O)n2C2CCN(C)CC2)CC1 517983634 ZUHCFXAEBIONGA-UHFFFAOYSA-N 469.611 0.745 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cc(C)cc(C)c3)c2=O)cn1 522389335 FOKKZUNRKMVGFH-UHFFFAOYSA-N 451.552 0.998 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccc(F)cc3)c2=O)cn1 523579944 NWRPXGZOMNLZKW-UHFFFAOYSA-N 496.568 0.206 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2F)c1=O 603924483 DQWRHJIWEWVBFN-UHFFFAOYSA-N 476.549 0.940 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O 608911227 UFCDBAOPJPXMAG-UHFFFAOYSA-N 468.457 0.070 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccs1 609037007 AVDUHLBODLCYHQ-UHFFFAOYSA-N 471.608 0.993 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3c(O)nc(=O)n(CCOC)c3N)nnc12 669478807 LJKGWBWGZLOHFH-UHFFFAOYSA-N 483.510 0.696 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)CC2CCCC2)CC1 725989700 VTSWKGLRGPKTLU-UHFFFAOYSA-N 476.555 0.631 30 20 JCED CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 853707470 JQUZXPYVBYYGAD-AWEZNQCLSA-N 450.517 0.128 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)CC2)nc1 918475692 BCBPKIQEWZRQDT-UHFFFAOYSA-N 467.917 0.830 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)N(C)C)CCCC1 1286968258 JSZZPYJLDKNCDF-IAGOWNOFSA-N 481.623 0.855 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CCO1 1359447352 UNDFIZXRXMXIBF-LAUBAEHRSA-N 453.547 0.879 30 20 JCED CN(C)C(=O)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503362112 PROQNRRLYUPQMS-KRWDZBQOSA-N 451.535 0.970 30 20 JCED CC(C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1509528600 UIKKGCYCFCBKKH-RTBURBONSA-N 480.639 0.128 30 20 JCED CC(C)NS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1509783081 RSYZQRYBYFMUEG-QGZVFWFLSA-N 464.596 0.018 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1518651270 LYUYSNVZTXMOMJ-UHFFFAOYSA-N 453.503 0.954 30 20 JCED CCCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1547247457 WEUWQQABRAQPPO-UHFFFAOYSA-N 456.555 0.183 30 20 JCED CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1554376699 WYVHIGNSWHSRPI-UHFFFAOYSA-N 465.562 0.766 30 20 JCED CC(=O)NCCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)C(=O)OC(C)(C)C 1567461376 WUMNYCKZEKYDGS-ZDUSSCGKSA-N 452.533 0.420 30 20 JCED CCOC1CC(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)(N2CCOCC2)C1 1618505929 MTCZBDGUHLWBLM-AFJQURTJSA-N 450.561 0.611 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1693880620 QBWQTKFFCRNQQT-BPXKWBHBSA-N 490.586 0.659 30 20 JCED CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)CC(F)(F)F 1711212977 TWSAMOMYIOVRKB-GDBMZVCRSA-N 475.541 0.851 30 20 JCED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1722875825 NYPLDKPPARKHKY-HZPDHXFCSA-N 460.560 0.933 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)CC(=O)N1C 1726670494 DTRKSGUNRMDYDO-INIZCTEOSA-N 489.627 0.862 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CC1 1749245935 VMPNJZOIUIEWJQ-OAQYLSRUSA-N 467.574 0.959 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1750897490 IIICIRIQCUXPSB-IAGOWNOFSA-N 452.581 0.144 30 20 JCED Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)c(=O)n1C 1751517308 QWWXDCILUIGCNK-CRAIPNDOSA-N 474.591 0.120 30 20 JCED CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1766382465 OOOWUUSLNPMSHJ-UHFFFAOYSA-N 462.562 0.982 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1768259345 MPRUMWWYXKEPOV-QGZVFWFLSA-N 473.559 0.719 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1)NC(=O)OC(C)(C)C 1778268206 VSBVGKBGZBDXMR-NLFFAJNJSA-N 493.649 0.923 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)ccc1Br 1778941678 REVGITABBATQCR-IBGZPJMESA-N 460.288 0.640 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2 1779444575 DEJUFXXAQADDPD-CCZRKIPMSA-N 457.487 0.787 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780037547 DKLPJUJTJRUZIZ-PRCFCKQXSA-N 455.515 0.808 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1780806439 AOFKLIRNPQYEMV-PMUMKWKESA-N 450.458 0.980 30 20 JCED CC(=O)N[C@@](C)(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)c1ccccc1F 1780817128 OTFLVOXGPNYXGK-CTUHWIOQSA-N 473.501 0.779 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C2)C1 1781060849 DHLPMATUWSSVHJ-MMSOTJHASA-N 491.585 0.879 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793614 PMCOIXILBGYUBH-XDHUDOTRSA-N 462.510 0.805 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)c(C#N)c1 1782676704 MTGUHICIYLEIOF-HSZRJFAPSA-N 467.482 0.514 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1783269288 RWPAAXCGRWENOY-UMEGOILYSA-N 492.617 0.749 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)C[C@@H]2C1 1783564663 BJMBFFZXUSYEHN-AVIJNYRZSA-N 461.515 0.551 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@H](O)NC(=O)OCC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089789 HKOIMYXDVDPFSM-QQMNAOGKSA-N 496.561 0.446 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1784309325 UGRZCAFSZYNELD-WDUKFBBWSA-N 467.592 0.994 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1785572232 KPRJFASAPPUYQM-KSFYIVLOSA-N 464.519 0.185 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OC)cn3)[C@H]2C1 1786243869 PCBDHFNISWPXJV-DWRORGKVSA-N 487.557 0.995 30 20 JCED Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)s1 1787057198 LZPACRLCTXWKNP-JLSFHGIFSA-N 451.549 0.898 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1788573510 ZWBCLBAYXCCTPN-WNHJNPCNSA-N 485.541 0.845 30 20 JCED C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1788755599 QWKPIUFYVRDSHX-GWKIZSTFSA-N 454.527 0.780 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](Cc4cnc[nH]4)NC(C)=O)C[C@@H]32)c1 1789259535 VAEVSRFRDRCDNQ-QMZRJTEUSA-N 494.552 0.631 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)C[C@@H]32)c(Cl)c1 1790229398 HKCJJWDMSYOSSB-CSFVBSKPSA-N 459.890 0.403 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCn3c(O)nc4ccccc43)C[C@@H]21 1791078842 BAFREICAGCDNSV-BXWFABGCSA-N 454.483 0.590 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCc3ccccc3)[C@H]2C1 1791144335 AUKXRDCOLQXZLU-FKBYEOEOSA-N 488.537 0.304 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1)[C@H]1SC(=N)NC1=O 1792832438 MLTQQHKQIJKWRJ-XRPQVBHESA-N 469.567 0.883 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1793594745 FUWRFCHOYNDPEA-AXVVYFOYSA-N 464.563 0.668 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cncn1)C2 1793600181 YNEQDVYWGNYJDE-AVEIZBFRSA-N 462.551 0.898 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cc1 1795322677 YNHJTXQFMPVASE-SJLJXFQCSA-N 493.582 0.887 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599729 FJLNNUONKFNSRQ-MHORFTMASA-N 481.594 0.134 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480712 NIKILCPORMJREI-ZGNLGFJESA-N 483.525 0.898 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796783515 NBFBHZYOSCWHGV-SSTJLMRISA-N 484.601 0.918 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCn1c(O)nc2ccccc21 1799058985 NLWNKULFGMVLTK-BQCISNNHSA-N 481.553 0.970 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1799305135 QEQONZQYPNVJPS-SFNKJDCFSA-N 482.578 0.328 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1800908845 BZJFZJFBSOEMPH-NRUGXNMXSA-N 481.546 0.071 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)C1 1802234128 YFCHKCGEYNKAGP-YYIAUSFCSA-N 450.536 0.762 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1803242736 BGTCHFZBDIIXEL-WFXMLNOXSA-N 486.525 0.811 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806699077 CRTDIJXCZQVROX-BQNPTPDXSA-N 484.619 0.477 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1807945065 BQDMGTZTILLINR-HRAATJIYSA-N 499.491 0.721 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1811187495 PFWOJLQXAYFIFD-NUFFFHITSA-N 481.513 0.819 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812881217 WJRHDRJKRPINAH-DCXXXQMHSA-N 486.525 0.546 30 20 JCED Cc1ccn(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n1 1829330783 QNURRMMXRDJDFP-RUZDIDTESA-N 493.520 0.732 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1829770513 VCBGBLXSCWHUQW-XQQSMPNESA-N 453.446 0.207 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)c1ccc(O)cc1 1830049028 VPDVBZVWPFFDMY-NBGIEHNGSA-N 486.569 0.617 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CCO2 1830385738 RKLHIOLSOSTHLU-AZVZEQOLSA-N 499.630 0.518 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1 1830460475 NXXRUSIQMKXQGT-QHCPKHFHSA-N 467.482 0.462 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)C1 1830715811 RGXUITPSVUIFMR-WERUZOGYSA-N 461.515 0.744 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832005483 KQWOXFJKYIVGML-MRUHUIDDSA-N 473.592 0.397 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1Cl 1832026910 SZZJALKUBFKJOB-QHCPKHFHSA-N 486.912 0.597 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1832446602 CNMATUWONBYRRV-VGOFRKELSA-N 487.619 0.638 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832724504 UQMRGUOHJXLYTH-RXVVDRJESA-N 450.561 0.222 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(I)c(OC)c1)CCO2 1833695676 FXBCFDVJOYYFLQ-SFHVURJKSA-N 485.278 0.398 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])c5c4OCO5)C3)C2)CC1 1835345117 DGNZEKTYIDGXQB-OAQYLSRUSA-N 458.427 0.697 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835644197 JTRAZHWIQYDDPY-GQNRDTHGSA-N 483.566 0.152 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677187 AADBFYIIHXTXAG-VGSWGCGISA-N 459.551 0.015 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)c4nccnc4C(N)=O)CC3)CC2)cc1 1836047258 GEFCUJHUXNVSID-UHFFFAOYSA-N 475.553 0.875 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1836861603 ZFAIDAVPQUDHGV-QFBILLFUSA-N 467.563 0.866 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)C1=O 1837138082 OAEAVGCGMLHEHV-SANMLTNESA-N 495.532 0.590 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837375968 VMCFPWZFPIPQDI-MHECFPHRSA-N 471.558 0.655 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1837402262 AGXTWFUSVORQSO-YKSBVNFPSA-N 469.542 0.910 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525051 RVRUBGVNLXACJF-QRZWHDCESA-N 463.535 0.505 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccnc2C)CCO3)c(C#N)c1 1838216724 CBHRAIRFXWKHCU-DEOSSOPVSA-N 465.510 0.978 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)cc(OC)c1F)CCO2 1838550358 XTBRCSCABVZSMR-XLQQFJOYSA-N 491.516 0.771 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838598485 KIDITLUWJYJZQG-OAQYLSRUSA-N 479.990 0.766 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838599338 FKVNSVHRKYBPDG-FGZHOGPDSA-N 479.917 0.897 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C(=O)OC)s3)CCO2)C1 1839034107 PQALGRAEIPMBED-AOMKIAJQSA-N 464.540 0.572 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccc(F)cc1)CCO2 1839037732 VJJQCOCBQQSVAP-VFCRVFHLSA-N 453.536 0.719 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)NC(=O)OC(C)(C)C 1839080840 MBDWNYHCZNZXDM-GSRZOBFVSA-N 496.605 0.025 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)CCO2 1839085403 GMIXNTXPEDDAAX-IMRHEYAYSA-N 465.547 0.797 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1839085912 RIMGUUBZZQQEPI-NRAIQUKZSA-N 492.573 0.771 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839187260 SDRCIMKLIOZRQK-KCEHZKJRSA-N 465.547 0.855 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(C)CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1839805576 LXSHFMLCAYBKTC-JJEOQYAHSA-N 465.547 0.084 30 20 JCED Cc1cccc(C)c1N1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1=O 1840040881 CIVFOEMRSITYBN-CLOONOSVSA-N 483.521 0.201 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)CCO2 1840072883 CUNAHIOKNMFPEU-PTLVVNQVSA-N 486.525 0.128 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2)C1 1840171102 OVMSXXWJAMBMPA-RCHBHCHASA-N 487.619 0.681 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CC(OCC)OCC)CCO2 1840279556 UTERPRVFHCITNV-RHVSLNNASA-N 453.536 0.090 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840289449 ACYYHDLQBAHXQO-HOYKHHGWSA-N 475.542 0.782 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCc5ncc[nH]5)CCO4)C3)c2c1 1840325967 FIMRLUWBMWNVBG-QHCPKHFHSA-N 463.498 0.860 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1840346612 GERTUYLLJOJXQM-GOPWYIOASA-N 477.562 0.875 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840483888 MPWFBCIHCUOYFZ-DEOSSOPVSA-N 476.493 0.726 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nc2ccccc21 1840814046 LMJWOPYYKILQCV-XMMPIXPASA-N 465.510 0.697 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1840844205 IZMFVSYVJMULPU-NTUVXCKYSA-N 479.574 0.617 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1841602558 BAAFHAVYSQOELT-HNNXBMFYSA-N 483.529 0.368 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccccc2F)c1=O 589160757 NFDNJKTVRCYGDA-UHFFFAOYSA-N 471.535 0.984 30 20 JCED N#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 609330189 KWCZWKBTRVXJKK-UHFFFAOYSA-N 477.587 0.262 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1=O 726042733 LPONXWZOYNGCIL-UHFFFAOYSA-N 484.296 0.557 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(C(N)=O)cc1 726575614 LQCXICUPWBZVQX-UHFFFAOYSA-N 462.535 0.154 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H](C)c1cccs1 726583469 ZYVAMSZCSVVWHW-ZIAGYGMSSA-N 457.581 0.968 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CC1 728534033 DMCKSKRCSVDVGT-OALUTQOASA-N 460.600 0.860 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 728536204 ONYLQVCZXHVFPX-UHFFFAOYSA-N 498.609 0.050 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1 728573101 KJFGOSQRPUBAOP-UHFFFAOYSA-N 491.614 0.175 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 837375080 ODMKBTPCKROBEV-UHFFFAOYSA-N 493.589 0.884 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 917033203 BYWRGHPYJBZFJP-HXUWFJFHSA-N 484.534 0.497 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cccc(C(N)=O)c2)c1 918262406 OGBCDJPCBASLCD-BWAHOGKJSA-N 457.512 0.853 30 20 JCED CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918446251 RQCNDCXFWRRVDF-OZWUBDKWSA-N 451.549 0.859 30 20 JCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1=O 1517418173 MFPDFGXOYHDRLI-KRWDZBQOSA-N 458.544 0.832 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 1613492152 MZTOOBKXCLTCTE-UHFFFAOYSA-N 455.471 0.940 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nccn1C(F)F 1692792054 BYRQRLIXFAWGNP-JSGCOSHPSA-N 469.522 0.705 30 20 JCED COCCN1C[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1769886338 VVCLHGXXOYPGES-HZPDHXFCSA-N 473.559 0.493 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1779065169 OBONCZBSTUUNSS-RUZDIDTESA-N 470.570 0.815 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779140160 UKYITWUAEKLGPX-DAOGTEBLSA-N 478.546 0.804 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOC1=O)C2 1779422690 IYLFPPJKIJVFCZ-HWVFXGPNSA-N 466.535 0.872 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1780169152 NZNZVRYHNCQKEJ-DEOSSOPVSA-N 463.494 0.835 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1780334962 SUIXJRGZLFJHJO-NRFANRHFSA-N 457.512 0.583 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780935352 LOWYQJGWSQLXBJ-QFIPXVFZSA-N 462.572 0.704 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1781295770 PKLDIXGJKXPDGM-MHECFPHRSA-N 489.573 0.933 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)ccc1F 1781300018 HNUMCJZKFBLCQX-DEOSSOPVSA-N 480.500 0.714 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782010161 GDGIMMYIUWFBFJ-ZGNKEGEESA-N 481.521 0.937 30 20 JCED CC(C)(C)OC(=O)N[C@H](C[C@H]1CCOC1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561946 RBBQJISGMQTBMC-SEPYTNNBSA-N 479.530 0.224 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565249 KCUBOHISBLQHAA-XXBNENTESA-N 487.513 0.162 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3c(Br)cccc3n1)CCO2 1783565479 VAGJVRFCKXQCBU-IBGZPJMESA-N 461.272 0.628 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1C(=O)N(Cc1cccs1)CC3)CCO2 1783566693 YSHQGCUUGXKHOD-HSZRJFAPSA-N 497.533 0.132 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783644365 YMKGWHGRCZFOFM-GKVQRAMASA-N 461.559 0.990 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)C[C@@H]21 1784486776 OPCLIWFIXJSHQS-HPLXBGGASA-N 473.545 0.891 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1784786531 PNXIKYQKIHYXAY-VIQHNZTISA-N 493.561 0.034 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1785576303 CFBFGRJGGZVSGQ-SAHWJRBASA-N 462.547 0.424 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1785576686 LUTJJKLANKXMAB-GAJHUEQPSA-N 473.530 0.602 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1 1786897721 PXRAJGPXGHMDCY-QTMHVTGLSA-N 496.605 0.888 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5c4CS(=O)(=O)C5)[C@H]3C2)cc1 1787152222 GYNMEKCFXBVOBY-ZWOKBUDYSA-N 483.550 0.811 30 20 JCED CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787514008 VABRANNHIYIAMB-LQXZAOOASA-N 454.570 0.901 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788632590 RMTIEVZODARSPQ-XSDIEEQYSA-N 478.542 0.160 30 20 JCED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21)c1ccccc1 1788708708 WWXXTZSUHMOISC-YFNVTMOMSA-N 454.571 0.756 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790176631 YESVYKHBFDOXJZ-IQWQSGHPSA-N 456.540 0.610 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21)C(F)(F)F 1790883254 RTXHBGKNZJGYBK-VGWMRTNUSA-N 450.410 0.579 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C34CCN(C(=O)OC(C)(C)C)CC4)[C@H]2C1 1791022229 WVGKRJXXOOHVAQ-VJANTYMQSA-N 488.585 0.363 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)[C@H]2C1 1791029442 UNKRJYOMTZNQKQ-UIFYRBHJSA-N 462.547 0.762 30 20 JCED CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)c2C1 1791073993 KZYGSZNDLROQGE-ZQIUZPCESA-N 487.513 0.342 30 20 JCED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)[C@H]2C1 1791124796 FNBHLEOAFVCBGY-HVAMYJMISA-N 470.526 0.652 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@@H]21 1792257767 LQWZVNZYNWCCRU-WNHJNPCNSA-N 459.547 0.849 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1792835463 ZZSQUWJRIDZCRQ-OPMZPASUSA-N 479.986 0.707 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1 1792887309 PLLZFBCBKYVGRK-PIKOESSRSA-N 488.541 0.656 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1793594749 FUWRFCHOYNDPEA-CLWJZODNSA-N 464.563 0.668 30 20 JCED CC(C)n1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cc1C(=O)O 1794435295 LRHXJUAKIQALGE-NWIFUHBESA-N 460.535 0.837 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2)[C@@H]1SC(=N)NC1=O 1796422866 RYWHGYGJHPEOHS-HIHRSEIJSA-N 469.567 0.883 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N(C)C(C)=O 1796458510 CVMXSZZTKKKQMX-UJCHZGTJSA-N 464.563 0.359 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1797790456 RTCLZWJYSDRXAQ-JSJNYSNDSA-N 477.901 0.910 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1797810950 DGHVRJHNRYFWAL-NLVNUDGLSA-N 458.475 0.167 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797815239 LKPZTEPMPFHYJC-YYQAZUDOSA-N 498.577 0.381 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800390081 UQWQHXWDWSUKDE-MDMSPXHWSA-N 485.603 0.623 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1807025521 DDTWLOVOVURVLW-AAFRALBZSA-N 463.431 0.524 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1807947118 YMUBMGXASMPWKB-XLIONFOSSA-N 469.465 0.713 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCN2C(=O)OCc1ccccc1 1829212614 OGXQEVLQJOAIAQ-YZZKKUAISA-N 457.458 0.885 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1829466932 UIVTYVRIKHARJM-CPJSRVTESA-N 466.538 0.988 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(=O)OC)c1ccccc1)CCO2 1830408092 TXPZVUOROHVOFF-MFSJNOQSSA-N 473.526 0.578 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456547 LQRDPROGVILXCY-WZONZLPQSA-N 477.583 0.628 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1831420549 XNAKETLIGJVSKZ-NTKDMRAZSA-N 459.543 0.806 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1831485236 SERIDOHHWKQAFL-WIYYLYMNSA-N 450.561 0.222 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1831492595 MTHMPTGHIZAKAK-MLGOLLRUSA-N 451.471 0.848 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1833076352 XLVYNEIILHEDCI-ARJAWSKDSA-N 493.655 0.277 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833125744 CPRIVMUPWCKNIU-HSZRJFAPSA-N 451.483 0.426 30 20 JCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1833705210 QVAIIXOFYNNRFR-UHFFFAOYSA-N 472.677 0.903 30 20 JCED CC(C)(C)OC(=O)N1CCc2onc(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1834760705 HJJDTAIKPLQMKB-QHCPKHFHSA-N 489.529 0.951 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCC)CCO2)C1 1834981469 NXFPLJUBFNOFKE-HTAPYJJXSA-N 455.552 0.949 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)CC2)ncn1 1835351891 CVFHWWHCWDZPDS-QHCPKHFHSA-N 472.546 0.462 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835529558 YEJIVBVJBIPDHE-XLNZFTOWSA-N 480.606 0.734 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1835679915 CAESYULJILISLH-XMMPIXPASA-N 489.548 0.893 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836058668 QHAAAZLCFLRSDK-CYFREDJKSA-N 491.589 0.888 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1)c1ccccc1 1836210918 VJFHFKXZSRLREW-ZJSXRUAMSA-N 451.527 0.932 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CNC(C)=O)CC2)CC1 1836530667 FZLCMCLHWRCENH-HXUWFJFHSA-N 477.606 0.611 30 20 JCED COC(=O)C12CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)(CC1)CC2 1836709051 CUCYAUBEWUSTEV-VNXZQDSDSA-N 462.499 0.044 30 20 JCED O=C1Cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5(O)CCCCC5)C4)C3)ccc2N1 1836789563 KSXTWJCUFQXCFI-AREMUKBSSA-N 481.549 0.950 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)ccc1F 1837275242 OHONIOUHJYCGBL-JOCHJYFZSA-N 471.493 0.029 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1837527079 JPDVMHDCBRRROS-FYGKWSDDSA-N 475.546 0.888 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1837531010 WBTNHKIAPBNEFG-YDVYAIIMSA-N 451.545 0.847 30 20 JCED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533428 TXBFGOBVSCRZRU-KYPGUPDXSA-N 459.565 0.086 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)no1 1837544409 AHXOYKFJNAEFOI-PXNSSMCTSA-N 454.549 0.124 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559844 AXMWWELVTZEKQE-OIJNNNCDSA-N 494.545 0.041 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1837560044 NNGJGPPFDYYLIJ-PQESEWCPSA-N 461.515 0.744 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)cc1 1838330481 GGULODSYBUVCJI-HSZRJFAPSA-N 464.482 0.025 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838399411 LHIXNAJLSDVUBL-DEOSSOPVSA-N 477.602 0.334 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)c1 1838579229 HBVOGJYPVVHMBF-HSZRJFAPSA-N 451.483 0.670 30 20 JCED Cc1c(Br)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)nn1C 1838770576 NZKDSSVDYQMRMN-PXAZEXFGSA-N 461.382 0.879 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4ccnn4)C3)C2)c(C#N)c1 1839132730 QPBMBHGEVOGXMD-GAJHUEQPSA-N 468.514 0.418 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1839175554 PONYONOPSPIWHF-JOCHJYFZSA-N 477.470 0.880 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1839176424 NWMOBNVKEZUNHB-HSZRJFAPSA-N 480.558 0.886 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(O)nc(O)n5)C4)C3)c2c1 1839487967 OKAUESSJLDCFAV-QFIPXVFZSA-N 479.453 0.020 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488525 WYWRXPYEOWLPIV-WAIKUNEKSA-N 478.513 0.432 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1839651113 MUURZNFEVOMPCE-ZZAWEDPDSA-N 460.535 0.043 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1839882176 WBAFDNCYWMENFU-BXKMTCNYSA-N 472.542 0.940 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1)C(F)(F)F 1839891519 JTNLDTODHITSGE-LJQANCHMSA-N 458.437 0.710 30 20 JCED COc1cc(Br)ccc1CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044228 REQDISHQXVFIFN-OAQYLSRUSA-N 495.326 0.545 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840164632 DIPZWKNBZYDVHD-VFNWGFHPSA-N 452.529 0.627 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c1 1840551338 VZQLJGUOPRJBJF-VGSWGCGISA-N 463.556 0.818 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C(N)=O)cc2)CCO3)c(C#N)c1 1840647458 HABCANLSBYOWMM-SANMLTNESA-N 492.532 0.978 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1 1840713785 IYBRFMDUMDOBJS-WNSKOXEYSA-N 467.482 0.899 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1840819351 GNAHMCBHYVGNLZ-OFVILXPXSA-N 479.537 0.358 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1840819502 NVENMIAZSNEICN-XMMPIXPASA-N 476.493 0.750 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1840853082 DAILVICIIVMBJO-QPPBQGQZSA-N 472.542 0.942 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CS(C)(=O)=O)C1 1841620989 WHPHGIPBPTYHJT-JKSUJKDBSA-N 455.577 0.787 30 20 JCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c(C#N)c1 1845138656 CFUJDZCTJJCPET-UHFFFAOYSA-N 469.523 0.778 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1845256624 OAPJDBTVRBNHBT-GJZGRUSLSA-N 453.540 0.759 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)nnc12 109046991 AZIFOJPERPLOTK-CQSZACIVSA-N 476.584 0.863 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2-c2cccc(OC)c2)CC1 480046445 SUFAKYOFBFFTCR-UHFFFAOYSA-N 475.574 0.970 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C(=O)OC)cc3)c(=O)n2CC)CC1 489147707 LSOIYVKCQOWPDJ-UHFFFAOYSA-N 454.552 0.383 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2)cc1 516011000 OWBDTWVPCYXKOI-UHFFFAOYSA-N 481.534 0.922 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CC1 516440263 UDMDEIGWSGBYTO-UHFFFAOYSA-N 459.459 0.268 30 20 JCED N#CCCN(C(=O)CCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 519484199 YNKPIZZZRUNIAV-UHFFFAOYSA-N 455.515 0.243 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccsc3)c2=O)cn1 524235236 TWAHMVOQAPHCSY-UHFFFAOYSA-N 497.602 0.316 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCc1cccnc1 524341996 HTVOTSZBKJEXSH-UHFFFAOYSA-N 463.563 0.988 30 20 JCED COC(=O)CNC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 603652088 LAEGXJZIIDYQLA-UHFFFAOYSA-N 485.522 0.999 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(OC)ccc1OC 726576995 FONXFQWJOCBYMG-UHFFFAOYSA-N 483.550 0.305 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 729281718 NDEVUOHCCNNRBV-ODLFYWEKSA-N 472.611 0.983 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 812744639 VKXOPRBAJMSPSY-LPHOPBHVSA-N 475.615 0.951 30 20 JCED Cc1ccc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1S(=O)(=O)N(C)C 821695463 AVVWFABIJMVIJE-UHFFFAOYSA-N 494.551 0.466 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1 849196055 SOLAZUVADUJGJF-RTBURBONSA-N 460.600 0.860 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c3cccs3)CC2)o1 915392506 BRZDLBKAPJAOEF-LBPRGKRZSA-N 467.529 0.475 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)c1 918260168 GCXUIFCFOMWZPJ-ITYLOYPMSA-N 472.527 0.379 30 20 JCED CCN1CCN(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C(=O)C1=O 919147404 NBHKSMHWHCUMEV-INIZCTEOSA-N 485.541 0.590 30 20 JCED CCN(CCC#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 919227817 WTLLJOFHDGGOKJ-UHFFFAOYSA-N 469.516 0.644 30 20 JCED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 1115847236 GNLRHRACPAJRRY-LBPRGKRZSA-N 475.317 0.945 30 20 JCED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CCO1 1315956067 VWBOQDXKMPEQPO-HXUWFJFHSA-N 470.530 0.829 30 20 JCED N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)CC1 1316538671 PTSSBHZWVPKGLU-INIZCTEOSA-N 467.621 0.738 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1517626580 LNLXOCDZUWVNEX-SFHVURJKSA-N 457.560 0.957 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)(F)F)C1 1519548739 QEXSDDFLNHXBHZ-CYBMUJFWSA-N 479.485 0.029 30 20 JCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC1CCN(c3ccccc3C#N)CC1)C2 1684480955 VYYFYQLGGJFZEO-UHFFFAOYSA-N 452.519 0.199 30 20 JCED CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1OC 1730988268 NZIURQBGDFXTID-OYRHEFFESA-N 453.547 0.831 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1748088981 XUSTUWXKOHKBNI-SFHVURJKSA-N 489.602 0.891 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CC1 1750210220 NTEPYRASYPSGJN-UHFFFAOYSA-N 469.527 0.921 30 20 JCED Cc1noc(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1751961619 PFTUHBQQUKFHCA-MAUKXSAKSA-N 453.500 0.706 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(OCC2CC2)c1 1761502383 YWVIEPPVMIFISE-RHSMWYFYSA-N 461.548 0.849 30 20 JCED CCOC1CC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)C1 1767695841 KQMZZKFVVWQWES-HITAIPBASA-N 456.569 0.279 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1778975098 WNPLUIDZMHQHGG-WMZHIEFXSA-N 472.579 0.086 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1779099640 JYVWXPCJFAGXSJ-SBGGBKDJSA-N 450.452 0.150 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779316885 GQOZADGASOOFAV-XMSQKQJNSA-N 454.487 0.029 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1)NC(=O)OC(C)(C)C 1781425446 FYWNBORLORIDDP-HTAPYJJXSA-N 462.551 0.968 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1782852586 XVXGAONKSVKUGJ-NXMSCROESA-N 472.542 0.490 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c(C#N)c1 1782961564 VUIWGTXEZYZKQF-SIKLNZKXSA-N 461.540 0.516 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1783130755 GKYRVECNGWCPSZ-PRCFCKQXSA-N 469.498 0.049 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncnn1C)C2 1783269051 WQNZDYDEJFDWDA-SEPYTNNBSA-N 474.562 0.859 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)c1cccc(Br)c1)CCO2 1783565847 RRLZXMMVORFHGX-HKUYNNGSSA-N 451.273 0.400 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 1783990412 AHVSHMCAIWSMRD-QZMQVMSPSA-N 498.577 0.657 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784086526 MIOMVSKTELOHOO-UUOWRZLLSA-N 489.573 0.990 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C[C@@H](NC)C(=O)O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090424 QJBGHYYRZBTPTL-SAHWJRBASA-N 480.562 0.445 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784389580 GRILQCIIIPWAOQ-WPVAHCMFSA-N 461.559 0.750 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1784601533 RUOZKSLFZPHUAA-GEQKSPFYSA-N 452.515 0.967 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)NC(=O)OC(C)(C)C 1785302193 MHKXQBBQJYYNQV-GAJHUEQPSA-N 481.594 0.947 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1785307836 MZZMMWMCDIYVAU-QRQCRPRQSA-N 463.535 0.552 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1785572126 KCAIMTNPKADAKA-KSFYIVLOSA-N 465.551 0.004 30 20 JCED CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)ccc4F)C[C@@H]32)CC1 1786730806 VDOLCDRDGMZOBE-VCOUNFBDSA-N 457.550 0.928 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787511332 FQFGRSIORICVSF-UMFPLQAISA-N 465.528 0.531 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)CCOC1 1789914097 UYARUAIJBAFDGX-DOWNOZBLSA-N 450.536 0.954 30 20 JCED CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1790846754 ADMQNLSZNVEWNE-FHWLQOOXSA-N 491.589 0.643 30 20 JCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)C[C@@H]32)CCC1 1792138107 XKHWOKLCILGTJO-DNUAJFIVSA-N 455.515 0.666 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)C[C@@H]21 1792174542 CWGCEVLIFBIZLV-HVAMYJMISA-N 490.601 0.751 30 20 JCED CN(CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)C(=O)OC(C)(C)C 1792262987 FBNUYAOKNUQAGV-ULQDDVLXSA-N 451.520 0.701 30 20 JCED CC(C)(C)OC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1792954714 NRPRWEYYDLADDV-DFGXFYAUSA-N 495.577 0.908 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1)NC(=O)OC(C)(C)C 1795289404 IRBMYENZWMPMJN-QOSLBHJFSA-N 464.563 0.714 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795360971 ZHWJMHZOSZOSBN-SFNKJDCFSA-N 485.603 0.317 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1796392978 SXQMBZIUKDDQOB-AVEIZBFRSA-N 470.567 0.917 30 20 JCED NC(=O)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796443450 ITGQBFHIMHIWSL-YCUSNSCCSA-N 454.508 0.884 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1797729003 CZJWJHIFMIRIOP-ALXJQNPVSA-N 457.607 0.830 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1797815580 OYZCYSIDHALZQX-MWARFUARSA-N 462.547 0.506 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1797871311 KBKQTDVVVBWCGD-FCQWJQKHSA-N 478.509 0.135 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)O2)C1 1801987778 HUWAAMGDXUKURZ-YYIAUSFCSA-N 461.515 0.881 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC3(CCCN(C(=O)C#CC4CC4)C3)CC2)n(C)c1=O 1805886176 UPFQJIITJSKAPN-UHFFFAOYSA-N 466.542 0.078 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC2(CCN(C(=O)CN(CCO)CCO)CC2)C1 1806366780 ULKWHMBPLKIYRY-HXUWFJFHSA-N 496.649 0.974 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)[C@H](O)N4CCOCC4)[C@H]3c3cccnc3)c2c1 1810351482 LFURFDJALAZZME-KPCPBYSCSA-N 489.536 0.800 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1 1812872024 ANFNZCGRUSADNX-DYESRHJHSA-N 455.492 0.893 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1)C(C)(C)S 1812983623 BXTPYPBIILEBIH-OWCLPIDISA-N 482.603 1.000 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCN2C(=O)C=CC2=O)n[nH]1 1815470556 GNMLBUUITNWPDU-INIZCTEOSA-N 455.519 0.999 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815669732 PVHRAEDGXVBXBM-DOTOQJQBSA-N 453.565 0.723 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822204942 UOFVHXDEQRGPGJ-KDOFPFPSSA-N 491.501 0.946 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)NCCC#N)CC1 1828758140 FGNSWAXTGOHAGD-MSOLQXFVSA-N 451.568 0.952 30 20 JCED CC[C@@H](NC)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829003876 NYPQMDGNJARFGT-NTKDMRAZSA-N 470.526 0.525 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829133251 JDVXHUAUACKNLW-ZEQKJWHPSA-N 498.580 0.503 30 20 JCED CN(CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC#N)C2)C1)C(=O)C(=O)O 1829243991 ITPCSNDIDTUFET-XMMPIXPASA-N 499.524 0.285 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310323 UHPHTOGMHIJGHP-PRCFCKQXSA-N 474.583 0.893 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1829769355 RIUJGUXHXUIIFN-QJKPHDSHSA-N 476.461 0.662 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3CNc4ccccc4O3)C2)C1 1829770490 UKEYTAMBLWVOGD-VNBJOJGYSA-N 484.553 0.564 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1829771893 ZUEWKDHBARIMOR-BNOLWBGWSA-N 476.461 0.662 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4C(=O)Cc5ccccc5C4=O)CCO3)C2)CC1 1830836195 ODRXURLWDNRQEY-RUZDIDTESA-N 480.521 0.362 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)nn1C 1830954232 WFTQVVLVERTVQT-XMMPIXPASA-N 469.517 0.981 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)nn1C 1830955259 JNKWIJUXZYVFKM-DEOSSOPVSA-N 477.525 0.789 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)CC)CCO2)C1 1831192412 FXZJKMSZCSETDM-LLJLJFOGSA-N 494.589 0.274 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1831438497 SQVZXEKIQHRSSM-QZTZHPFYSA-N 495.573 0.960 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1832000796 XDLDAMURIDOSEG-BTYIYWSLSA-N 464.523 0.344 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(C)nc1)CCO2 1832900167 XPFFFFSSEFCVOV-FFYIOULGSA-N 456.543 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cccnc3C(N)=O)CC2)CC1 1833073811 IGJZCXIIBZJYTD-WAYWQWQTSA-N 468.558 0.224 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835349726 SUCUFOIYSCHORL-WZONZLPQSA-N 478.567 0.127 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1Cl 1835395976 KPHRHXBBJNVSNV-QFIPXVFZSA-N 462.934 0.614 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1835752635 WMCCQJJACIPCPM-NRFANRHFSA-N 479.643 0.834 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)n1cnnn1 1835768918 OYLSLRHYSSSLFA-VUISEMPFSA-N 462.555 0.335 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc(OCC)nn3)CC2)CC1 1836200228 OPCVMSAICRZPLN-VURMDHGXSA-N 470.574 0.919 30 20 JCED COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1F 1836235465 HRXSKGVVWRBKPJ-JOCHJYFZSA-N 463.510 0.581 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(OC)c3F)CCO2)C1 1836237161 KEDUBEDKMILSRD-OPAMFIHVSA-N 451.495 0.872 30 20 JCED CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CC1 1836672023 KBKUFHCVXLEKHC-OIUIXCLQSA-N 476.599 0.191 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1)c1ccc(O)cc1 1837277475 KTDXBGXPLNDIIB-UQBPGWFLSA-N 496.568 0.679 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837385380 QLFRSWPNZKCUAR-WNSKOXEYSA-N 483.529 0.212 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443500 CQMMGYZHUDXTOQ-PYEQPNSUSA-N 451.568 0.219 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1ccccc1=O 1837686911 MPFHBESKDOIMAX-ISCKSEBJSA-N 456.499 0.578 30 20 JCED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)N4CCOCC4)CC3)CC2)c1 1838402313 YDRBANYAUTZUDK-XMMPIXPASA-N 456.543 0.821 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(C#N)cc(OC)c5)CCO4)C3)(C1)C2 1838584205 UCAXZRFXGHPJIH-STEQJIOHSA-N 483.521 0.980 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)c(N(C)C)c3)CCO2)C1 1839114413 QSQOJKSUSXJCSV-MHECFPHRSA-N 459.543 0.870 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1839226077 CQJTWOWRRXIHOJ-ZHRRBRCNSA-N 493.586 0.149 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(N4CCOCC4)c3)CCO2)C1 1839344277 VWDKBTJJTSRGIX-CPJSRVTESA-N 471.554 0.632 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c(Cl)c1 1839423572 KQRYRZWVXWEJLV-JOCHJYFZSA-N 460.918 0.904 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839959743 UFRXETLYXZVOJL-BKMJKUGQSA-N 470.566 0.745 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039623 AQYXPUIDSIGVMT-HXOBKFHXSA-N 479.530 0.320 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1840082637 HSHJICVAOWVPGM-OAQYLSRUSA-N 494.532 0.350 30 20 JCED C[C@@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840111107 WTBLFVDVGURPBG-VTJXTGGHSA-N 475.608 0.425 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840176186 YPQFSTOJRGAZRX-FGZHOGPDSA-N 453.536 0.391 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840177416 ZEZHNBXMOLBJTK-GOTSBHOMSA-N 459.499 0.173 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1840293686 PQRYBSMQMCWLPM-DEOSSOPVSA-N 458.559 0.937 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c(C#N)c1 1840550462 YLPFLFZNVHDKCH-JOCHJYFZSA-N 479.555 0.000 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815588 ZWYVNKFAQFZMKS-UQQMVDRBSA-N 456.499 0.907 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CC)C2)C1 1840907479 WPGNNLOXGJWUBR-MHECFPHRSA-N 489.573 0.890 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CC)n3)C2)C1 1840907559 YDBREEPGMFGFHE-KOSHJBKYSA-N 489.573 0.890 30 20 JCED C=CCn1c(SCCN2C(=O)CNC2=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 28012918 AUKUMSMGEXMENQ-UHFFFAOYSA-N 492.583 0.796 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1 511534551 UZTAQYQMQUAAFM-UHFFFAOYSA-N 484.538 0.261 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3)c(=O)n2C2CCN(C)CC2)CC1 518723424 ZNWLACOPYACRTC-UHFFFAOYSA-N 495.649 0.852 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCOCC2)cc1 642956095 MPYMPOSOGJBZRJ-LJQANCHMSA-N 452.577 0.905 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CC)CC1 729256925 MXJJDOCTKFXIOH-UHFFFAOYSA-N 454.531 0.538 30 20 JCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)C[C@@H](C)O1 915785280 YZFCHSOFCPMKRF-IYBDPMFKSA-N 486.554 0.918 30 20 JCED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916872481 DOYSDNYOKBOXGV-QGZVFWFLSA-N 450.517 0.061 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 918609748 ACPMQVHDUWMBEQ-OQKWZONESA-N 463.541 0.936 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1C#N 1154386534 HTKBFARPAVEMCF-QGZVFWFLSA-N 459.551 0.765 30 20 JCED Cc1c(NC(=O)[C@@H](C#N)C(=O)C2CCN(S(C)(=O)=O)CC2)c(=O)n(-c2ccccc2)n1C 1342606606 NXUNBAAQMQRUJZ-KRWDZBQOSA-N 459.528 0.803 30 20 JCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)cn1 1360717337 IYZBWRCYPLKJNV-MRXNPFEDSA-N 456.528 0.614 30 20 JCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)CCOC1 1502719524 ZOHREMATANQLFU-DNVCBOLYSA-N 471.484 0.785 30 20 JCED CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCN(C)CC1 1505187856 OHXSDZMQRJJEEA-SJLPKXTDSA-N 496.707 0.892 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1510201571 VNUZBJZGYSUTQW-RLFYNMQTSA-N 458.610 0.986 30 20 JCED N#Cc1cn(CC(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)c(=O)nc1O 1546130420 PNLUKVRCQYNACY-LJQANCHMSA-N 450.499 0.156 30 20 JCED CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1611804264 NVTIQBLMZYEGAC-CVEARBPZSA-N 454.553 0.156 30 20 JCED CN(C)C(=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCCC1 1617568568 QCYQFRWKZZDBRY-SFHVURJKSA-N 493.634 1.000 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1706870776 IGEJBSIAUXRGQI-VFNWGFHPSA-N 493.565 0.846 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1731011816 VWDJLGXTYMIWEB-UHFFFAOYSA-N 459.576 0.621 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCCC(=O)N(C)C 1743234432 KKMPBWLHNHWTNW-HZPDHXFCSA-N 466.550 0.474 30 20 JCED CCCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1745796367 PONJGUPRZUGIJF-LJQANCHMSA-N 450.547 0.949 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 1770342643 FAMHLKQXXQUEHC-IEBWSBKVSA-N 460.560 0.910 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n(-c2cccc(=O)n2C)n1 1779016945 VZESZZVTXSIVJP-IPACTHBOSA-N 495.584 0.795 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(CC#N)cc1)C2 1779200041 JFCUAHSHZUVZMZ-QMHWCDLVSA-N 458.515 0.945 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COC(=O)C(F)(F)F)C1 1779277882 NYHYEMFLYIKBFN-AUUYWEPGSA-N 462.469 0.888 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1783478495 LCDPRJMAVIQYSG-RDWCLUPISA-N 493.601 0.622 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(I)c(O)c1)CCO2 1783568374 WCYFXSRBIAUZFP-SFHVURJKSA-N 484.246 0.528 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1)c1ccc(O)cc1 1784018680 WIHNMNNCCCDXES-GCJKJVERSA-N 479.470 0.444 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)NC(=O)OC(C)(C)C 1785305730 BYRIKWHMJGYAAT-ZHRRBRCNSA-N 452.552 0.764 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)[C@]34CCN(C(=O)OC(C)(C)C)C4)C2)C1 1785622918 ZINKOQNUOKARKF-ZMMDUFCOSA-N 496.630 0.508 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1785683008 ICPBXLDQWHEJPP-KNBMTAEXSA-N 471.539 0.733 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#Cc4ccccc4)[C@H]3C2)CC1 1786560501 SZJJLMJXVOOEDY-FKBYEOEOSA-N 473.595 0.689 30 20 JCED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)nn1-c1ccccc1F 1787219042 VLJXIXCKRVEIIS-DOXZYTNZSA-N 470.457 0.701 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787493067 PGHXEJLLIASSOC-IMPIEMTGSA-N 452.577 0.751 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cn2ncccc2n1 1788015117 UURAHFGJAGXZDF-HPVHJZNYSA-N 456.503 0.852 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4ccc(C#N)cc4)C[C@@H]32)CC1 1788244854 LSVAKKCNOUOTBF-HJOGWXRNSA-N 481.597 0.635 30 20 JCED O=C1Nc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C[C@@H]43)cccc2C1=O 1788436630 WOMUAONTMISRAM-KLWAUTOCSA-N 484.509 0.944 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)N4CCOCC4)[C@H]3C2)c(O)n1 1788648650 SEUGROPTJBUJPZ-UBPTVHNVSA-N 474.558 0.150 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1790175196 JGYBAMADSZNLDP-NTLWEQJWSA-N 479.574 0.508 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)C4)[C@H]3C2)c(C(F)(F)F)n1 1790858137 KUIUJMRSWGXCPF-APYUEPQZSA-N 465.432 0.701 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1791108142 OBHRCZFZBRTZHA-MJUPKGCFSA-N 481.590 0.928 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1792484154 DEBBTJCKPCIDSV-XXGILCFXSA-N 480.521 0.121 30 20 JCED CNc1nsnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1792484311 OVQPMGCMJRTVFA-JJLQDPRZSA-N 452.500 0.845 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2 1793355785 QUYOYHYXHATMSY-DFBDCSAJSA-N 455.552 0.707 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1793385323 JNOSMCBXGXYHCQ-SQDXWYPISA-N 459.609 0.806 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C2 1793592784 SSVJVQRSGHHFIB-RHQZKXFESA-N 466.579 0.960 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1795599250 ZYCQCGSPHTXMJE-NECVAMPVSA-N 457.531 0.323 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCO2 1797438314 POPGMPXKQQYWIW-AXVVYFOYSA-N 487.557 0.785 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)CCOC1 1797840091 YEBZEBFHVUGWAG-WWMJAGMXSA-N 490.557 0.972 30 20 JCED Cc1nn[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236308 IQFNRCBPPXODSA-ALXJQNPVSA-N 487.561 0.857 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NC=O 1800097137 YJXXLLDMKDFQJB-JCECYMMASA-N 495.577 0.565 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801946821 RSTIURVKGFHOPB-QRXRQMIZSA-N 463.531 0.748 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Nc1cnccn1)C2 1802125806 VCBAJDXZSLMAIP-PKRADWSKSA-N 486.573 0.783 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C(\C)NC(C)=O)C2 1802128818 UGBOTPFBGDJTDX-CMDIRVKSSA-N 462.547 0.533 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1808293648 BIUUQADUUDSCRR-SXZZRKSZSA-N 452.471 0.461 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1808439218 JMYFQINRBAWLFI-HNAYVOBHSA-N 480.485 0.037 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC2(CCCN(C(=O)C(C)(C)NCCC#N)C2)CC1 1809775312 PHARJRQENCLICP-LJQANCHMSA-N 464.563 0.994 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1812349349 JOWCFHKTEYRDGO-PTALQLFHSA-N 466.498 0.520 30 20 JCED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1812526410 AMPRCUVZNRDEET-NSHGMRRFSA-N 485.589 0.877 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1812876252 GDVQJMZAAYCFGR-FDDCHVKYSA-N 469.519 0.822 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2c2cccnc2)c(=O)nc1O 1814039239 BUAWPWOBSCPBSK-FXAWDEMLSA-N 461.482 0.872 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817463389 AHBSFIWJCIQSGR-XHPSBEMXSA-N 465.474 0.305 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827047952 ZDBMRKAVMIKHRX-MJRGOJFPSA-N 467.530 0.509 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)C=C)CCN2C(=O)OCc1ccccc1 1829138083 RMLXCYYZSOAPFU-UUOWRZLLSA-N 452.511 0.762 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C)n3)C2)C1 1829764280 JCBQHZNOJGYEIA-SINIUOCSSA-N 456.543 0.637 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898911 NATNDGRGAGGVAT-VGOFRKELSA-N 463.556 0.238 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)C2)C1 1831387962 NWUVDDZSUWGHEK-PMAPCBKXSA-N 467.563 0.642 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2)C(F)(F)F 1832251461 IPSYTIPSEXLLRQ-ZDUSSCGKSA-N 466.306 0.917 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)N4CCCC4)CCO3)C2)cc1 1832419807 TWAVGPOORDDQGM-VWLOTQADSA-N 468.554 0.960 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1832446597 CNMATUWONBYRRV-HTAPYJJXSA-N 487.619 0.638 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1832452919 JTTRZYQTFORTQI-OAQYLSRUSA-N 483.612 0.615 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccc4ncnn4c3)CC2)CC1 1833075164 RYMBCJDBDZENER-WAYWQWQTSA-N 465.558 0.773 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCC)cn1)CCO2 1833435322 UWUHNUJNIFJZPZ-QFIPXVFZSA-N 462.503 0.455 30 20 JCED Cc1cc(Br)cnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834551260 SRSJAVDCWXRALK-LJQANCHMSA-N 466.288 0.311 30 20 JCED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1834569539 GPSVWCKBILKHFU-DOAWATSRSA-N 458.581 0.132 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834766034 SYEBNTZYOGGCFN-QHCPKHFHSA-N 475.546 0.897 30 20 JCED CCN1CCN(c2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)cc2)CC1 1834767966 UPEBHWFHPVURKP-DEOSSOPVSA-N 455.559 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1)CCO2 1835063607 FOLPJKXSRXPNRB-XXXZYALBSA-N 457.527 0.553 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CN(Cc5ccccc5)CCO4)C3)C2)CC1 1835341917 LYRUVOZKGRSXCH-OFVILXPXSA-N 468.554 0.648 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C[C@@]45C(=O)Nc4ccccc45)C3)C2)CC1 1835348059 NQLNHENEDLCFCL-VWMXVWASSA-N 450.495 0.657 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835349476 FWSPEWVLXUZSFV-QFIPXVFZSA-N 463.556 0.639 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680815 LTRJCULNCBALOU-XMSQKQJNSA-N 451.568 0.029 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNCC1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1835734073 ADVRBJHACXITIS-XMMPIXPASA-N 478.590 0.313 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)CN5CC(=O)NC5=O)CC4)CC3)c2c1 1837077596 JJBOPNZRAJXLFE-UHFFFAOYSA-N 493.524 0.599 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)N2C[C@@H]4C[C@H]4C2)CCO3)c1 1837286341 HIXJVDOEIFKYGP-DFSVQXFESA-N 468.554 0.977 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1837694553 MERXSMDTIKINDQ-QKKBWIMNSA-N 495.458 0.733 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869196 FNJHJRCWRJUILG-QGZVFWFLSA-N 464.611 0.974 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1837881676 JEMTYYWNZJYEFE-YZFOJRJHSA-N 467.567 0.107 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCO2)C1 1838524960 WARDEPIYJCGPTA-WAIKUNEKSA-N 473.482 0.638 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4N=C(C)CC4=O)cc3)CCO2)C1 1838992587 ATLLWDSUJQFZJW-UQBPGWFLSA-N 482.537 0.908 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnn(C)c4)C3)C2)c(C#N)c1 1839133436 PVGGTXDTOQXHSG-XMMPIXPASA-N 467.526 0.542 30 20 JCED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)CC1 1839188168 NWOUPDDSMRTBHT-QFIPXVFZSA-N 459.474 0.649 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)COCCO)CCO3)C2)cc(C(F)(F)F)c1 1839196084 GVWIKUUUGIOHBD-FQEVSTJZSA-N 471.432 0.656 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1O 1839473152 INLVDAUOBCCWGI-SKLAUCLBSA-N 487.557 0.892 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cc(F)c(F)c(F)c3)NC(C)=O)C2)C1 1839809958 WJHGETMVRGDSBN-XMSQKQJNSA-N 467.444 0.241 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)cc3F)C2)C1 1840039956 FGEVYQLAVXIADF-IBGZPJMESA-N 469.263 0.746 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Br)ccc3[N+](=O)[O-])C2)C1 1840043502 CBAVGKMNWDNUAE-IBGZPJMESA-N 496.270 0.515 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC[C@H](C(=O)OC)C3)CCO2)C1 1840146872 BIETZYZSXMVMCI-RAZUEPIFSA-N 466.575 0.995 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840164785 QDXOBSSKVLYPPP-IERDGZPVSA-N 470.613 0.797 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840170938 FEXPARRMOIQSBO-IUKKYPGJSA-N 467.563 0.637 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840907406 UKEMIZZBPBPYNX-MWTRTKDXSA-N 491.545 0.112 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1 1840908806 HLRSYIKQORGIHI-UUOWRZLLSA-N 487.557 0.772 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1840909326 RFMMAARRAINWSW-IERDGZPVSA-N 453.511 0.862 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1840909653 ZCDALFODSPJSND-OPAMFIHVSA-N 476.534 0.100 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)[C@@H](O)C1 1844259633 LZOBGCHBBWOVSL-XUYLAZSVSA-N 463.579 0.889 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1C(=O)c2ccccc2C1=O 1847262728 BAEJGBHHBLPJPA-XSAZBNQGSA-N 450.495 0.733 30 20 JCED C[C@H](On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)C(=O)Nc1cccc(C#N)c1 20917899 ZSYPPXOIPVYXBV-AWEZNQCLSA-N 456.484 0.780 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1=O 27507400 LYNONEXCWXYOOL-UHFFFAOYSA-N 481.962 0.161 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2n[nH]c(=O)n2C[C@H]2CCCO2)CC1 104983082 BCEFRNPTOCKJKI-MRXNPFEDSA-N 492.583 0.247 30 20 JCED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cccc(S(N)(=O)=O)c1 503903952 RPBZRVAAWIGUKD-HNNXBMFYSA-N 477.568 0.983 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCCC(=O)OC 520868821 YYXPFTSUOHNRIV-UHFFFAOYSA-N 457.552 0.746 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1CCc1ccccn1 523179998 ULBFGOWESHZYIA-UHFFFAOYSA-N 453.549 0.366 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828515 ZQCSRVCDAWUUJX-UHFFFAOYSA-N 490.541 0.814 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(Cl)cccc3Cl)c(=O)n2CC(N)=O)CC1 608911722 OJAWHIXDNXUIJH-UHFFFAOYSA-N 494.404 0.369 30 20 JCED COc1cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)ccc1OC(F)F 727164204 NEIZREPRNZEAAA-UHFFFAOYSA-N 470.479 0.096 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 729257632 KMMKJOAZZHJGTI-RTBURBONSA-N 476.599 0.382 30 20 JCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c1=O 729671982 ZGNXHPFDZDEAPB-UHFFFAOYSA-N 498.026 0.892 30 20 JCED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 731063457 OJLHAZHQTDGXNI-CYBMUJFWSA-N 470.511 0.867 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 771807234 LBPSBTLRQWGJPZ-PBHICJAKSA-N 476.349 0.686 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)CC2)o1 915364028 SHJRMUTXWCLURE-GOSISDBHSA-N 483.460 0.306 30 20 JCED C=CCN(CC=C)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 916528619 AXVAWYAUDMYKJK-UHFFFAOYSA-N 493.582 0.902 30 20 JCED CO[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1315691863 QYTVVXRTVMIDBF-YYIAUSFCSA-N 454.553 0.155 30 20 JCED CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1316339950 RRWZUJCUTQUUFL-GOSISDBHSA-N 458.544 0.689 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCN(Cc2ccccc2)CC1 1509693609 IVFWYJSTHCFXGZ-OAQYLSRUSA-N 466.590 0.963 30 20 JCED CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1515493260 XIVAIVPNPVGYMG-UHFFFAOYSA-N 474.591 0.950 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1541927406 JOELBKCGKWUNRG-KXBFYZLASA-N 456.592 0.356 30 20 JCED CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1552709539 MVQCIPRUOHPMFL-UHFFFAOYSA-N 450.547 0.696 30 20 JCED CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1741701945 RWSDGIHSICIFHN-INIZCTEOSA-N 453.569 0.266 30 20 JCED CCN1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CC1 1746469728 XVWNCHOGIFRCAP-RBUKOAKNSA-N 482.655 0.377 30 20 JCED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H](C)O1 1749579143 WDZRQQZDJMSIJH-YJBOKZPZSA-N 464.548 0.518 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1766944541 JGHGECKFWIFDEC-UHFFFAOYSA-N 472.575 0.702 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccn3c(O)nnc23)C1 1777955437 IJOHXBSNYCPODG-VKTSEMSYSA-N 468.514 0.421 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1779104731 GCOPTVSMWPZZDC-SLRCQPIXSA-N 456.503 0.631 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](O)N3CCOCC3)C2)c(O)n1 1779414830 WENAROIAWNZKHE-DCEDVJGZSA-N 488.585 0.684 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1780755428 XWWKLUFQCPKJSF-XCGNWRKASA-N 455.552 0.671 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO3)c(C#N)c1 1781173878 XLHVJHZULQVJJY-URXFXBBRSA-N 487.509 0.434 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1781857891 COHDTKIPJQFBFB-AUSIDOKSSA-N 474.514 0.610 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(N)=O)C2 1783269270 MKEFFRYENZDCRT-SEPYTNNBSA-N 464.563 0.682 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)COCCO)CCO2)C1)C(C)(C)S 1783778036 NZBUPFJGFZLPLK-IERDGZPVSA-N 475.608 0.427 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)c1ccc(O)cc1 1784009894 DFYGMBUORYYIHY-YADARESESA-N 456.543 0.990 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784196660 GNWKCLPKDMLOGV-OYSTVDSJSA-N 483.606 0.815 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1784438827 LXPUPZGLWVGLQP-LQJIQPLVSA-N 482.002 0.999 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1785578353 XMIIGNZHSORWRE-XOBRGWDASA-N 490.479 0.411 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#Cc5ccccc5)[C@H]4C3)CC2)CC1 1786563372 RSOCSZVOHAZPQY-VABKMULXSA-N 450.583 0.798 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)[C@H]2C1 1788095555 QJLROOCUCCDKSW-OMZCGLGVSA-N 463.575 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CCN3CCCC3)nc1)C2 1792488557 IGLRWLGJLFUBJK-OARVKMRDSA-N 481.597 0.782 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1792792339 DDNVORUMRGTNNF-LUSFBHQCSA-N 477.649 0.556 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)C2 1793360464 NPFDWHNBMFBBGX-GXQGPDAOSA-N 493.601 0.926 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)ncn2)c(C(F)(F)F)n1 1793491844 FXNBAWWFDQRSPC-CULMDFNYSA-N 462.388 0.985 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nn1 1794562996 DPBYYRLHLMRRAH-CXHZTBPHSA-N 461.519 0.855 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1 1797614885 HMFCJNFAVIOMTF-RYTTYMKHSA-N 474.558 0.327 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2)c1ccccc1 1797876829 FOHPOAYDHRFUHG-ZMNKMHGQSA-N 455.555 0.424 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)N2CCOCC2)c(C(F)(F)F)n1 1798484991 DFBXBKSQILCYCX-NXEZDXNNSA-N 467.448 0.874 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1799395800 YGWVEZQBRQUKKD-DFBDCSAJSA-N 470.567 0.653 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnn5cccnc35)C4)c2c1 1799882385 OBDRDYXFCCCRPP-CCWDJLKJSA-N 456.466 0.994 30 20 JCED C[C@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800906394 MKXOHQQBYXNPPS-BDLOOMQFSA-N 486.635 0.689 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)[C@H](C)S)C2 1800987033 CJTCVWYVURHNNB-JGFGOLAASA-N 450.561 0.530 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1801001522 YOFSAVSEMLYKJW-XOIINTDNSA-N 471.518 0.292 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C)C1)C2)NC(=O)OC(C)(C)C 1801930722 ULRMIRVTLKFLRG-DMUMMCEESA-N 450.580 0.997 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1803914897 BFVOAJJFKAFMSQ-YKMTWBPMSA-N 466.542 0.874 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CNC(=O)c2cccnc2)[C@H]1c1cccnc1 1804364475 BYLONDXPQCVGTA-AMQNAFGZSA-N 476.537 0.771 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1810397835 BKMLDQHFTHZUBT-FQZWVJCESA-N 455.471 0.343 30 20 JCED CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1812330850 PATNKEXFIOQUPO-PKOBYXMFSA-N 459.620 0.853 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819845827 KQRQEKSXWCWKQX-DOTOQJQBSA-N 462.572 0.905 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=N/O[C@H]4CCCCO4)sc3C2)CC1 1819902239 MZAUJSNXUDIGAR-BJCHONHNSA-N 492.602 0.748 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)CC1 1828921131 OZAJAJZFDCLFIK-UQBPGWFLSA-N 496.568 0.335 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628280 ODRPNOXDMZIOQM-FDDCHVKYSA-N 477.583 0.628 30 20 JCED CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1829895615 BLWADAACNXFDCV-DEOSSOPVSA-N 456.543 0.735 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C(N)=O)cc4)C3)C2)cc1 1829907306 GDOVMOJBCKHNQS-VWLOTQADSA-N 462.506 0.970 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885314 BJEHPSPHPWJVRC-FDDCHVKYSA-N 467.563 0.522 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3Br)C2)C1 1831396651 OSUQHUJOFQAUSO-YWZLYKJASA-N 466.332 0.952 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1831401523 BDABDHGFHKFJPR-RHGYRFJNSA-N 497.589 0.145 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1831420353 XNCSEQGQMUXTNW-CKNGIIGNSA-N 476.530 0.040 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)c(O)n1 1831454375 OIALLOJBEHIPEV-UZUQRXQVSA-N 495.598 0.657 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)c1 1831736280 CELHOICNSJEXGQ-JOCHJYFZSA-N 453.455 0.446 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1832000096 GRVJWUQDJNDJDH-NYHFZMIOSA-N 479.534 0.655 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832748830 AORWOFPEBLSQON-DVECYGJZSA-N 471.579 0.966 30 20 JCED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)no1 1832926900 OTJBWIAHHVZCRX-KTBYTZPXSA-N 460.512 0.878 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c(=O)[nH]c1C 1833387790 HRBWCLOISKOFKA-DEOSSOPVSA-N 472.542 0.155 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833481381 LAQZTLVCFFAAHB-KRWDZBQOSA-N 469.652 0.521 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c1Cl 1833762364 AYLNHSWFWWMYFB-GOSISDBHSA-N 486.960 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CCNC(=O)c3ccc[nH]3)CC2)CC1 1833797837 FWMJGBPPJWUEGM-WAYWQWQTSA-N 484.601 0.565 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c([N+](=O)[O-])c1 1835345886 IMRVFDSKVYLCEP-QFIPXVFZSA-N 472.454 0.755 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc4ncnn4c3)CC2)CC1 1835631151 QLOBKJICODSENH-WAYWQWQTSA-N 465.558 0.773 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1835714095 WTPDNFUXIFUPLE-QZTJIDSGSA-N 454.568 0.196 30 20 JCED NC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccccc1 1835815232 CIGLNPFLBHJVSS-GNCCPDGWSA-N 474.558 0.714 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836111715 YUCLVWBOJGFWQL-HSZRJFAPSA-N 474.583 0.724 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn(C)c(CC)c3Br)CCO2)C1 1836276285 JKOAPWWAEGCRTA-QVKFZJNVSA-N 497.390 0.853 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836971554 WXOMPDUKGHTCEA-ZZAWEDPDSA-N 460.535 0.207 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc4nncn4c2)CCO3)c1 1837018701 GDZVZTWPYQFKBT-DEOSSOPVSA-N 476.493 0.993 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837367831 YGTHXJMNUTZKHS-BNOLWBGWSA-N 488.932 0.311 30 20 JCED C[C@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443891 SXKKYWJZCHBKJF-KVYWOEGESA-N 464.592 0.872 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447905 WUTDBBLVELUBEK-XQYSSQEWSA-N 485.585 0.733 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1837529616 WPVQVZKBKGJPLL-NOIVPASESA-N 473.486 0.822 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530989 VWVGDCOBDIEZIG-BYUHBYHNSA-N 471.507 0.533 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1OC 1837531485 NQGGGTMYVRUEKI-UPZXMLDGSA-N 492.529 0.698 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562736 FQGHRXXLDSVVCI-UYYUJSNXSA-N 494.346 0.965 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc(C)[nH]n4)CCO3)C2)c1 1837588579 QGIZZZDQCFOESQ-QHCPKHFHSA-N 453.499 0.911 30 20 JCED CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cc1C 1838149859 IAGSZLCFYYJDMF-XMMPIXPASA-N 458.559 0.980 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1838194698 DKTKNVLJNLLUTD-XTVKVDEJSA-N 458.563 0.689 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4cccnn4n2)CCO3)cc1 1838421501 BPJHXYJTXKDJPU-DEOSSOPVSA-N 460.494 0.914 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1838534926 LGKIXNOJGDMTJZ-XMMPIXPASA-N 476.493 0.517 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(OC)n(C)n2)CCO3)c1 1838834615 NMWAPWLRHYNDBT-HSZRJFAPSA-N 469.498 0.693 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)ccc1O 1838973912 JTMWIYQAZPHNQO-UZXXWRCNSA-N 477.514 1.000 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)c1ccc(O)cc1 1839165555 OHCSQCGFQOKNIG-MFSJNOQSSA-N 457.527 0.480 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1839209076 NHZNXMMCFYVCBC-CYFREDJKSA-N 499.605 0.701 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1839209077 NHZNXMMCFYVCBC-DVECYGJZSA-N 499.605 0.701 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1839225307 FFJZERMOHFLMFX-VGSWGCGISA-N 458.519 0.909 30 20 JCED COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn1 1839487722 UQNLKIDIUJVZSQ-HSZRJFAPSA-N 477.481 0.617 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)CCO3)C2)CCC1 1839727244 GJLZULSPFVNIJC-MCEYFSPLSA-N 482.581 0.772 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1840157200 HTHXCAZGMAYVHC-IIBYNOLFSA-N 475.608 0.693 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840166563 PVVQGQJGNCRLKZ-WZONZLPQSA-N 467.563 0.522 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2)C1 1840171100 OVMSXXWJAMBMPA-FWSJLQTGSA-N 487.619 0.681 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840436374 BTIDIQYPVBHRRR-NHMXVPMISA-N 460.579 0.508 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840473961 CYGSGBPSULUYJO-HOIFWPIMSA-N 493.565 0.160 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1)NC(=O)OC(C)(C)C 1840795508 MDEQWXMXDAJQTG-HKARXFIJSA-N 496.561 0.411 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1840795719 YEFRUQZIXBMONN-NXMSCROESA-N 496.605 0.814 30 20 JCED O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259603 JVNPBHFJOXAQBD-YDZHTSKRSA-N 453.503 0.967 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846196914 CMAPYZVDEHPFCH-KZNAEPCWSA-N 475.542 0.940 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)C[C@@H](C)O1 477031461 XSDIHOITERJASD-JTDSTZFVSA-N 461.544 0.162 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 522542382 CLWKSFACNFDAJT-UHFFFAOYSA-N 492.513 0.491 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1F 590999567 RELNJEKAUFTMLL-UHFFFAOYSA-N 472.542 0.344 30 20 JCED C=CCN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 596213544 VISOMVPVZFRHTG-GHTZIAJQSA-N 473.603 0.543 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 608828623 DNDSDYOZEXKUJM-MRXNPFEDSA-N 476.558 0.961 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CCNS(C)(=O)=O 608912120 FCRZPGSFYRDBKN-UHFFFAOYSA-N 490.632 0.701 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)s1 608912122 FGTCHAVMWORQQW-UHFFFAOYSA-N 468.626 0.104 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(=O)N(C)C 609220242 RQNOJTVYLILSSU-UHFFFAOYSA-N 468.579 0.739 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577088 ICZNGYSNPBYBAM-UHFFFAOYSA-N 476.562 0.755 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(Br)s2)c1=O 727164593 RQDLMQODTJPIEW-UHFFFAOYSA-N 459.372 0.310 30 20 JCED N#Cc1cccc(CNC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Br)cc2)c1 728720588 LIEUJZHVXYQIMK-KRWDZBQOSA-N 496.339 0.820 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 746139070 FSIVUFZAYMKNES-QGZVFWFLSA-N 483.568 0.338 30 20 JCED N#Cc1ccccc1OCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 748114006 APXQRNDHVRTWQS-UHFFFAOYSA-N 488.478 0.922 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccc(C=O)cc2)CC1 748713131 OVMKAKCHSVSOSA-UHFFFAOYSA-N 471.491 0.826 30 20 JCED CN(C(=O)COC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C#N 913273409 UHUYYHYBPRXGKV-OAHLLOKOSA-N 493.991 0.725 30 20 JCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 915785503 HBOIUOJRVUCKHW-UHFFFAOYSA-N 492.945 0.794 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(-c3ccccc3)c2C)c(=O)n1CCOC 917355716 AIVDNUWFURSTHQ-UHFFFAOYSA-N 481.578 0.624 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)cc1 918254677 LIUKYFGCCHBZMO-TZBHCYISSA-N 462.528 0.998 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3CCO)c1 918450058 QZEAIFUPKILVBV-TUQDJIKESA-N 488.570 0.821 30 20 JCED CN(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1298032687 PEZHLHKZHRLDOG-GJYPPUQNSA-N 455.560 0.393 30 20 JCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1315043259 NVMHXJLCNBRCPE-LJQANCHMSA-N 489.602 0.830 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1619552252 YJICNSCWXLSHHR-UHFFFAOYSA-N 469.546 0.796 30 20 JCED CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1620159485 RZYAZJIDGQBWPH-IBGZPJMESA-N 488.570 0.601 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1692795068 NXPNNLURERGLGI-PKOBYXMFSA-N 493.682 0.091 30 20 JCED CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1698314178 YWIOACWTRQSKRS-UHFFFAOYSA-N 487.586 0.584 30 20 JCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1698494126 SAVDYKTYRQWHSH-AEFFLSMTSA-N 476.534 0.407 30 20 JCED C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)N1CCOCC1 1706783895 RSHFFYMLGXKKGE-IBGZPJMESA-N 466.590 0.748 30 20 JCED CC1(C)COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1706933985 PLCUAWVGTUEBQS-AVRDEDQJSA-N 495.650 0.852 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1 1722478498 XIHCXOGNOHFUSA-LLVKDONJSA-N 470.415 0.810 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1729344100 YKBIQIOUWRJMMR-UHFFFAOYSA-N 457.560 0.815 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNC(=O)c1cccs1 1761499788 ZWQDLUVVRVCEEW-GDBMZVCRSA-N 492.631 0.556 30 20 JCED C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1763269077 ISVOOZKWDUZAHC-UZUQRXQVSA-N 453.547 0.567 30 20 JCED CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCOC1 1769782581 VCPGSXVRZHPGPK-REWPJTCUSA-N 470.530 0.876 30 20 JCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)[C@H]1SC(=N)NC1=O 1778081969 SHAAMADRCNIOLN-IDYZOLCGSA-N 478.619 0.774 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021812 RINFSECJEKWHLY-HQUHOLMRSA-N 494.593 0.057 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NNC(=O)C3)C2)c(C(F)(F)F)n1 1779307090 AJKQYVQINGCNLW-FOIQADDNSA-N 478.431 0.975 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@H]2NC(=O)NC2=O)C3)ccc1F 1780754228 KEHCMBLJOLQWKZ-PMAPCBKXSA-N 471.489 0.352 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781201740 IVUKSQBWDXSDNU-XTVKVDEJSA-N 481.594 0.829 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1783765814 RZWIZAZCXOIPHL-OPAMFIHVSA-N 466.535 0.738 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1783883432 IDTFRDZNZXOJAX-ZMPRRUGASA-N 484.550 0.003 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1784198212 ZWWIWNVJCZBWFC-DWRORGKVSA-N 475.546 0.755 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785367361 LDJYXNGQCPAZQH-KSFYIVLOSA-N 450.536 0.786 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ncccn3)[C@H]2C1 1785423857 YGRNLECOKULTQU-VJANTYMQSA-N 471.558 0.915 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1785623257 DHVRDDWBQMCUDK-BTYIYWSLSA-N 466.539 0.072 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(=O)(=O)N4CCCC4)[C@H]3C2)c1 1787506120 IPFOERFUUQKWCD-YYWHXJBOSA-N 490.582 0.586 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(-c4cccnc4)[nH]n3)[C@H]2C1 1788935267 QGNXINJHOAHGTB-KJDLQJKJSA-N 464.526 0.923 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21)C(C)C 1789949532 FNUTYLZQVSDVJW-JLCRNFDHSA-N 491.589 0.641 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21)C(F)(F)F 1790884679 KRARIJGWRGSYLN-AJNGGQMLSA-N 492.495 0.853 30 20 JCED CCOc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cnc2c1cnn2C 1791075602 CDEJZPLLAOIALB-JQFCIGGWSA-N 455.471 0.048 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)C1 1791329679 FMCDKEREFOPGOH-DOWNOZBLSA-N 450.536 0.642 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2 1792484830 WGYHUIOSCDKLCO-WAUQAIADSA-N 480.565 0.483 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)C1 1793258608 PHDYOKMSAJDBLC-TWHPPBISSA-N 461.559 0.607 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1793595566 RLNHHCSQWBTVHR-NYUBLWNDSA-N 474.558 0.907 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)n1 1797908586 AXBGUONGBQUCPQ-UPHUGPLXSA-N 489.536 0.938 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)C=C 1797939053 ANNQUWKJGNZBIH-NRUGXNMXSA-N 464.563 0.736 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1799395483 RTJHWSBUEXXCJL-LVEJAMMSSA-N 470.567 0.653 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)C=CC2=O)cc1C#N 1801120368 AMMKYJGXSFZLFA-FEJSZKPUSA-N 466.494 0.474 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(N)=O)C2 1802128892 VHICDSJDCSUJAC-JSJNYSNDSA-N 484.553 0.905 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCS(C)(=O)=O 1803268468 KCGCMPGSMFRMMR-YVSFHVDLSA-N 455.577 0.976 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@H]1c1cccnc1 1803552486 GESBBBCXYLLTLU-MMOPVJDHSA-N 467.482 0.896 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1807144319 XCJOLCGPBSBUSA-XMSQKQJNSA-N 466.542 0.684 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2c2cccnc2)c(C#N)c1 1808176369 GTFKVXWVVDBLEV-HTAPYJJXSA-N 450.499 0.879 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1)[C@@H](O)N1CCOCC1 1810354024 MYIZVZBMBIFSCB-HZDINIOISA-N 475.546 0.267 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1820949436 ZAFIRVQPKXZXRY-HIFRSBDPSA-N 463.491 0.766 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 1821595137 DEHCLEAOXQMXPC-JQWIXIFHSA-N 450.546 0.896 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)Nc1nc3c(s1)C[C@H](NC(=O)C#CC(=O)O)CC3)C2 1824794091 SPEWKMKZFRPWET-QWHCGFSZSA-N 485.522 0.779 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827401748 OILXKOLGSXLWHU-FSTGKYBXSA-N 469.550 0.518 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1828026326 CERLRZKHIGSRPW-CYBMUJFWSA-N 468.495 0.558 30 20 JCED C=CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=N)N)C2)C1 1828584602 JXRGYONAWDBBOD-HOYKHHGWSA-N 486.573 0.513 30 20 JCED NC[C@H](N)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCN2C(=O)OCc2ccccc2)C1 1829133347 MCYWKEUTSAWUBJ-AQZHKSTJSA-N 499.616 0.196 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829634532 QXFQTDYPXQBCQW-GBXCKJPGSA-N 454.527 0.568 30 20 JCED CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1829894294 JRHKUVDUEAFJKR-XMMPIXPASA-N 466.542 0.846 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2ccc(C#N)cc2)CCO3)no1 1829903852 FBSHVYLQVFKMBK-XMMPIXPASA-N 481.509 0.284 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CC1 1829907242 CGFVOQUNFUIWRX-QHCPKHFHSA-N 455.511 0.900 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)ccc1F 1829956444 NCLIIAXRUAIYOZ-SBUREZEXSA-N 458.490 0.222 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1830574021 VDLOVZBZHMHWRK-KUHUBIRLSA-N 481.468 0.447 30 20 JCED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1831276031 AXPMCYJWVNVIDY-FQEVSTJZSA-N 479.331 0.527 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 1831402855 TYXIMGMHCQFQNE-AOMKIAJQSA-N 463.462 0.771 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831498757 POXBPIZZDSJUPD-FPOVZHCZSA-N 462.609 0.467 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CC(N)=O)CCO2)C1 1831613685 BOHVOPQZNCCFAK-HZCFWTAGSA-N 494.589 0.424 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1833073720 BDYINKOGXPRILY-WAYWQWQTSA-N 458.563 0.025 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)cc1 1833106575 LZLYCZAGMVYVGC-NRFANRHFSA-N 454.575 0.265 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)n(C)n2)CCO3)c(C#N)c1 1833409889 PEPOFHLOGLEDTK-QHCPKHFHSA-N 469.498 0.319 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)nc1 1833599976 WSSQDEWHQSWBNK-XMMPIXPASA-N 498.561 0.935 30 20 JCED C[C@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767824 YILSQBLOWHHGIY-IZZNHLLZSA-N 493.564 0.770 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1835096178 TXYZESVDTASHFL-IBGZPJMESA-N 472.391 0.850 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347636 AJWROCJTDMILPL-SAHWJRBASA-N 478.546 0.117 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835644214 KXYBRXJFQIVJEH-UYSKRRQASA-N 466.583 0.094 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccc1O 1835681413 YPUXFRBEVJLDCX-HSZRJFAPSA-N 460.531 0.753 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1835682855 WTCZFBAPKHVBBX-OFVILXPXSA-N 482.585 0.491 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1)[C@H]1SC(=N)NC1=O 1835731378 GOKVQHLGEBXXOE-JJGYUGRQSA-N 491.662 0.832 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1835753775 DJLOXXZLSHRNAK-NRFANRHFSA-N 495.573 0.562 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cnc(N)s5)CCO4)C3)c2c1 1835846245 DGBHHMPEVRSFPD-OAQYLSRUSA-N 467.511 0.857 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)s1 1836081691 VLIHZCTXZIYXJI-QFIPXVFZSA-N 481.538 0.907 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5nnc(Br)n5c4)CCO3)C2)CC1 1836256131 ARKHDRPWJKRBFU-FQEVSTJZSA-N 489.330 0.866 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1836526400 RJZOYJZQQHLHKY-JRCVBZDQSA-N 493.520 0.948 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1837307620 FGRCFDVVXCXSLL-KOSHJBKYSA-N 467.526 0.928 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccccc1=O 1837564425 NGVHAWXKWYYXEA-WISBUKIJSA-N 456.499 0.578 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1)c1ccccc1 1837613549 ABZSZQIYMSGCAF-NLFFAJNJSA-N 480.569 0.973 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838499033 LSANGEWKXCYNRB-DEOSSOPVSA-N 467.526 0.928 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)c(O)n1 1838634610 SLDZAMASBFYAMC-HSZRJFAPSA-N 469.498 0.373 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1839109631 OQGZDZGVWBQWCP-JXQFQVJHSA-N 479.574 0.474 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c(Cl)c1 1839425156 PLEUJSDZVKUUGJ-IBGZPJMESA-N 488.850 0.960 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CC(c4ccccc4)=NN2)CCO3)c1 1839636085 HRMRPZBDVFCHPO-URXFXBBRSA-N 462.510 0.723 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1839650936 BMWODOSXBGRYLM-BHJOUFRFSA-N 477.518 0.100 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)cc1 1839718999 YHNOUKZQBQOFPQ-DEOSSOPVSA-N 495.492 0.593 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CN(C(=O)OC(C)(C)C)C4)C2)C1 1839806848 DYHQIJPKOXFXCF-QFIPXVFZSA-N 459.503 0.364 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)OC(C)(C)C)C2)C1 1839810636 JXGFEBUVEZWWJG-NBGIEHNGSA-N 487.553 0.918 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810914 YAFKPWOHPDMZAV-GAJHUEQPSA-N 463.531 0.102 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839844910 YCFUVEXXHPEULE-IXFSTUDKSA-N 469.579 0.931 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Br)cc4[nH]ncc34)C2)C1 1840042499 XWFUHSFZHGODAP-FQEVSTJZSA-N 491.298 0.483 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)C1 1840043658 MXAYLNYUYCDQEU-IBGZPJMESA-N 496.270 0.515 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840819011 KDFBACKEOJEOIS-HSZRJFAPSA-N 456.499 0.016 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1ccnn1 1840820531 VONZUUVDZUKRTE-HTAPYJJXSA-N 454.487 0.246 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)CCO2 1840845248 QHYRPZSKWUAKKE-SKPFHBQLSA-N 486.525 0.128 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)CC1 1845136817 AVALLJJFESRVCS-UHFFFAOYSA-N 488.545 0.282 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1847510028 FDUQCSHVRQUFHL-OWSLCNJRSA-N 494.589 0.990 30 20 JCED CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 497752554 DMJXVVGMYJQMLI-UHFFFAOYSA-N 482.609 0.994 30 20 JCED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCCSC)c2=O)oc1C 514521207 GMYOHWJBKZIDHI-UHFFFAOYSA-N 491.591 0.713 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccc4c(c3)OCCO4)c2=O)cn1 523864453 STOLCLKRKDMGIF-UHFFFAOYSA-N 495.561 0.542 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCOC)c1=O 748785895 OVRLDNVYLUXRKY-UHFFFAOYSA-N 458.496 0.645 30 20 JCED CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918279139 OCFQFNKMFXRXAV-PDNPPFGYSA-N 453.565 0.257 30 20 JCED CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OC(F)(F)O3)N(CC(=O)NCCOC)C1=O 920172350 DRLVBNTZWFIFQP-CYBMUJFWSA-N 458.443 0.838 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286536762 SJGXCMICFKWDLR-GHMZBOCLSA-N 456.388 0.420 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(F)c2)C1 1302484577 PJMHXVGEAJMQCP-DLBZAZTESA-N 450.496 0.527 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)NC2CC2)CC1 1303942104 LOMNRRZODVVYPL-KRWDZBQOSA-N 479.607 0.800 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1519549303 UYSZZWLMIYPDHL-UHFFFAOYSA-N 490.586 0.742 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCC(=O)N2CCOCC2)cc1 1555990948 JSCZPJSBCKDVJY-UHFFFAOYSA-N 467.530 0.679 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)N(C)C1CC1 1611705162 OCPJTIBSISAVOW-IAGOWNOFSA-N 487.634 0.964 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1=O 1698076699 OYFRAQRDVBLGQF-SJLPKXTDSA-N 451.531 0.979 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)c(OC)c1 1711776294 ZJZZUHSXYRSKBY-MRXNPFEDSA-N 462.532 0.727 30 20 JCED CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1741019212 XRJQTOBUKVBOAS-LJQANCHMSA-N 451.531 0.980 30 20 JCED CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1749839705 UDBSUCREDGACTO-UHFFFAOYSA-N 461.548 0.337 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC1CC1 1751096378 QITBUNKWNFXCNP-GDBMZVCRSA-N 474.609 0.174 30 20 JCED CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1769113522 PRWQNJMXDQLRBB-UHFFFAOYSA-N 469.546 0.796 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)n4[nH]nnc4n3)C2)c1 1777824387 CZVNRXUBZCHDQW-ZCLJVBCSSA-N 490.524 0.881 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1779068522 CGLZEDSIFBNQHG-OAQYLSRUSA-N 465.597 0.375 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1779106871 WTUZWYVABUIINJ-REWVYZQPSA-N 470.486 0.062 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1779139056 KQJFAVUGDHKBNN-FFCJBUTOSA-N 457.443 0.299 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779179427 DRFOZGVNGPHYDC-UPCLLVRISA-N 480.500 0.678 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779536070 XXTRLLIVZXFAJD-UZUQRXQVSA-N 487.513 0.535 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780934505 WKAIGPOZDWCSKB-XMMPIXPASA-N 486.594 0.420 30 20 JCED Cn1nncc1C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781167274 NGHLMMDPDAWAOF-HSZRJFAPSA-N 487.561 0.799 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1781340461 JQSLSIFUPALNKO-ZHRRBRCNSA-N 450.536 0.786 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1782256267 QDEDAHKLLQGYBR-UEUXDIAVSA-N 493.601 0.911 30 20 JCED C=C(Br)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCO2)C1 1783765702 RPPKJISLFAYJFT-ORAYPTAESA-N 492.367 0.319 30 20 JCED COC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783782183 QGFAKKQUXNIEMX-QVKFZJNVSA-N 488.607 0.774 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4nccnc4CN3C(=O)OC(C)(C)C)C2)C1 1784356002 MUVSWGXDSRETEY-JPYJTQIMSA-N 455.515 0.602 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2 1785376232 PAGVFKKIDCLVEH-QHCPKHFHSA-N 464.482 0.021 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785587950 YUNQRXLVCTYAKB-SNRMKQJTSA-N 479.555 0.588 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785631650 XPGYBWHICCOVBF-AOMKIAJQSA-N 465.551 0.181 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786367988 CDWWEZWFDNCSSO-QTMHVTGLSA-N 492.573 0.926 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786693141 CVJYPYXQUZEGJA-DKIMLUQUSA-N 460.531 0.848 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN(c4cc(NC5CC5)ncn4)C3)[C@H]2C1 1789696503 APNZCULJHVDBTC-UMGGQSCQSA-N 496.568 0.335 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCN(c4cc(NC5CC5)ncn4)C3)[C@H]2C1 1789696509 APNZCULJHVDBTC-ZULIPRJHSA-N 496.568 0.335 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791683286 VLUYTUHWSDHLSR-ICUGJSFKSA-N 477.566 0.683 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@@H]21 1792255777 VAVFUNWCGCMTTF-XSLAGTTESA-N 485.603 0.317 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCc3nc(O)nc(O)c3C2)c1 1794112330 QCNYMIMBYVLVPQ-WGVRVLLMSA-N 493.520 0.776 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)c1ccc(C)cc1 1795322344 AQNSOVREPFYJTP-SHJAMOMRSA-N 464.584 0.931 30 20 JCED COc1nccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c1F 1797811088 HAXHJMUXVLXRAS-MSLHZGMLSA-N 450.467 0.962 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)c(C#N)c1 1799238258 DFEINAZIGBSYFH-MRSFGVLCSA-N 466.494 0.014 30 20 JCED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1)C(=O)O 1799708473 WTWTZBCYRKPDLF-CXHZTBPHSA-N 479.331 0.587 30 20 JCED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1800335447 WYCDCRCIQPPRKU-XQPJFTJZSA-N 490.626 0.525 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(n3ccnc3)CCCN(C(=O)OC(C)(C)C)C1)C2 1800455828 SCWNBTCYZORCHL-KBVWPGPTSA-N 471.558 0.832 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)C2 1800985170 YBDBVQBJBXVENT-HGTKMLMNSA-N 480.591 0.550 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCNC(=O)C2)C3)N(C(=O)OC(C)(C)C)C1 1801103637 TUXXRAZPTNHMSK-PKRADWSKSA-N 476.574 0.668 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801993011 CPMYXLCGBFEODZ-XWUBNECOSA-N 475.542 0.985 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1802016609 QTUSXMCLKDQBAP-DGPQGTHCSA-N 463.575 0.997 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2 1802128019 MCBLVINUQYIQDB-MWTISTBLSA-N 450.536 0.017 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCCC1 1802192783 QAZODTJDPVOOMO-JTJHWIPRSA-N 462.591 0.979 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[C@H]1c1cccnc1 1809451580 BQOUDELDFSHMTK-FOIQADDNSA-N 485.460 0.373 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975543 YFCVKCCGBGNQCW-WOJBJXKFSA-N 469.648 0.910 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1828514146 KPMKHAJOABOUEZ-UQBPGWFLSA-N 498.584 0.581 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCN2C(=O)OCc1ccccc1 1829014335 WBWOYNWAXOIGIU-JOCHJYFZSA-N 466.502 0.429 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCN2C(=O)OCc1ccccc1 1829167255 SLJPZUPNYIPWAH-DEOSSOPVSA-N 491.508 0.555 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330695 OMSQTCGPLZQQFC-CLOONOSVSA-N 481.505 0.565 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1829769380 RZCZKZGDXMFZRE-YLNCNTMDSA-N 480.562 0.214 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(OC)c3O)C2)C1 1829771162 JGKYDJSYZYOZLI-IBLIISRWSA-N 489.525 0.338 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1OC(F)(F)F)CCO2 1830129102 ZPVRIHYFTYXZEO-IBGZPJMESA-N 456.373 0.743 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831329320 LNQXIJNBDPUYNU-QVKFZJNVSA-N 482.534 0.095 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1831412098 CTGAICLOHWNCKC-MZLICYQSSA-N 463.575 0.827 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831432538 AQOKWARXZSVYMY-IEGUWTFLSA-N 485.578 0.310 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1832008315 NLJOUDAMNUWXPV-KHCICDEESA-N 478.590 0.704 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)CCO2)C1 1832043798 COHICWCWNDAQNC-IEGUWTFLSA-N 465.547 0.491 30 20 JCED CN1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1832066004 FSQMSEWSHLAXDP-WMZHIEFXSA-N 452.515 0.599 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833172443 NBYJNFHKTCHIHC-HOYKHHGWSA-N 487.557 0.392 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)CC2=O)c1 1834753678 PMIOMCYWVUIHEQ-UZUQRXQVSA-N 456.499 0.418 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1834945296 YVFAQPXCEXXJEV-FDDCHVKYSA-N 468.595 0.864 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835145326 XVRORLNUQORCJG-XXBNENTESA-N 478.567 0.345 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)CCO2 1835351647 YZWIPGHDSVMPHY-HSZRJFAPSA-N 462.568 0.893 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CN)CCO2)C1 1835536661 QUPWXRYFBPTEOH-ROEJJBDBSA-N 466.579 0.507 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1835675451 RKEJCAQDSAQJKW-HSZRJFAPSA-N 463.579 0.127 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(-c4ccncc4)[nH]n3)CC2)CC1 1835944686 VKTBKAMZPVTLGF-UHFFFAOYSA-N 450.499 0.745 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cccc1C=O 1835955930 QFFPTCYGMNKPOI-HLJYZJMUSA-N 459.547 0.790 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836114730 YNOQMPWYJJHUKG-JXFKEZNVSA-N 451.549 0.826 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(=O)n5[nH]nnc5n4)CC3)CC2)c1 1836258858 JGPOCOQTLTYQHR-UHFFFAOYSA-N 475.513 0.183 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n(-c2cccc(=O)n2C)n1 1836260270 ZBHXQCZYJRXCOD-DEOSSOPVSA-N 480.525 0.253 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836971584 AUCDVLIQRYOJHG-QFIPXVFZSA-N 462.503 0.245 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H]3CNc4ccccc4O3)CCO2)C1 1837351831 UDAFRXNVBSZRBB-YDIMBITNSA-N 457.527 0.744 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1837396913 OPXAWRPSHHMQDO-MBSDFSHPSA-N 460.531 0.683 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1837445283 NWEYWCXSQJVSOI-AUXZNKLVSA-N 488.585 0.990 30 20 JCED CC[S@@](=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491500 OKBDXIWAVGCIJW-JPZYQRIQSA-N 454.589 0.300 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837680526 NSPIOZGCMQDJBJ-HOYKHHGWSA-N 472.542 0.698 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)c1 1838331484 CVONTHSDAJMUAV-DEOSSOPVSA-N 450.495 0.894 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1838840740 FWCSIJCBGAALCO-SBUREZEXSA-N 463.531 0.742 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838952997 ORZDUETUNVBMDG-BVZFJXPGSA-N 477.521 0.842 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839083900 KOZSUSVFOQXMRB-GLDPYIMESA-N 477.558 0.353 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131646 QDPZYCDENPGZDF-KOSHJBKYSA-N 455.511 0.604 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839157918 FFAGNOSIAYIIBB-HYFFOGBASA-N 468.551 0.047 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)c1 1839451491 WBBMLQBCWJYURB-DEOSSOPVSA-N 463.494 0.744 30 20 JCED Cc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)c(=O)[nH]c1C 1839487761 WEMKDMKLPJMOPM-DEOSSOPVSA-N 491.508 0.519 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c(O)n1 1839867557 CFNKPIAKJGUUHK-QMHKHESXSA-N 458.515 0.112 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)c1ccc(O)cc1 1840220269 GIGOCYSUNVQZQF-DFIYOIEZSA-N 469.538 0.482 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840290783 IGSXASCPNSJKHW-AOMKIAJQSA-N 451.520 0.945 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC[C@@H](N)C(N)=O)C3)C2)cc1C#N 1840763074 GGLLLCROWXDSOK-DVECYGJZSA-N 487.557 0.008 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1840843926 UOJJKZMXUYBQIT-QFIPXVFZSA-N 459.455 0.865 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1 1840909322 QUNVZGKAWIPRQG-JPYJTQIMSA-N 475.546 0.705 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCCNC)C2 1844215517 OXOSWLHCVDOFMA-QGZVFWFLSA-N 481.594 0.995 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCCC12CN(C(=O)[C@@H](C)S)C2)C(C)C 1845248565 XHLHQFJAJASYBN-PMPSAXMXSA-N 454.593 0.880 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3c(C(=O)OCC)ncn3C2)C1 1845861701 YDOVHWLZXXBKLK-XZVRFQMRSA-N 469.542 0.684 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCS2(=O)=O)C1 1845915924 WKLFWGRUIUMRBU-CVEARBPZSA-N 453.561 0.684 30 20 JCED COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 31079703 NSQLNNWMCUMHMM-LJQANCHMSA-N 485.566 0.844 30 20 JCED CCCn1c(Cn2c(=O)c(C#N)cn(CC)c2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 31794659 KNOFHBYYKHSZCX-UHFFFAOYSA-N 486.554 0.730 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1F 502042798 PKWDFSRHXHBWAQ-GFCCVEGCSA-N 459.478 0.565 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc3c2OCCCO3)c1=O 522277893 QAARUQZTCXWTDT-UHFFFAOYSA-N 487.578 0.763 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 523081527 UYZVDBFUNXIEOK-UHFFFAOYSA-N 461.515 0.456 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1[C@]1(C)NC(=O)NC1=O 604023513 YFJNUGDRMDYJKM-NRFANRHFSA-N 470.511 0.527 30 20 JCED CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)cc1 604269989 LUHRBCWZMMNUKX-UHFFFAOYSA-N 468.579 0.483 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C[C@H]1CCCO1 604434413 XJQRVKYKBFZYCL-OAHLLOKOSA-N 498.517 0.550 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(C(C)(C)C)s2)c1=O 725763826 VPRKMDAVXQSSGA-UHFFFAOYSA-N 464.613 0.966 30 20 JCED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 729762271 AHIRADWDEYNSFE-UHFFFAOYSA-N 454.501 0.427 30 20 JCED COCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 730725331 RZKLKYKOMHKCCW-AZCDHQAESA-N 478.556 0.599 30 20 JCED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 917506916 KDOVRZBEWXOZPI-QLFBSQMISA-N 463.512 0.735 30 20 JCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 919051011 MQTLWYKLPQJSOP-HUUCEWRRSA-N 452.533 0.607 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1COCCO1 1303859363 NFALFCKBWVAPIZ-HOTGVXAUSA-N 493.565 0.641 30 20 JCED CN(C)C(=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1314628544 OYDZKXLXAUTMFR-HRAATJIYSA-N 497.597 0.702 30 20 JCED CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1316337020 PYKSDUTXSPWNPV-UHFFFAOYSA-N 465.557 0.541 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCCCC1 1360708459 WUJLIJMRNMPIJL-DOTOQJQBSA-N 451.597 0.760 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC(=O)N1C 1512497960 JQENXQIZFKVOFF-WBVHZDCISA-N 458.544 0.830 30 20 JCED COCCN(CCOC)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1568752797 WTLFDTRYYADYIK-UHFFFAOYSA-N 452.577 0.701 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 1628638706 YLYPHKMVVSTBGQ-MRXNPFEDSA-N 456.524 0.911 30 20 JCED CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1696475370 MEFMHXQOUJXSKC-CQSZACIVSA-N 454.578 0.831 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1712703848 MOZFNEZJYFXUFY-FUHWJXTLSA-N 457.560 0.800 30 20 JCED CC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1743488701 XVBMKTSGXJKHLN-UWJYYQICSA-N 459.576 0.934 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC1CC1 1760695711 MOYWFKYJZPFWPM-GDBMZVCRSA-N 474.609 0.032 30 20 JCED CCN(CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1766684069 INJBKYTWJVPETI-IAGOWNOFSA-N 455.585 0.072 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)NCc1ccco1 1779103526 WLCZSUVNPWCLPR-UJHXFOOSSA-N 474.514 0.811 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104181 GXTHRYKQQRDHAK-GDSAVBDWSA-N 497.593 0.587 30 20 JCED O=C(/C=C/C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)NCc1ccco1 1779208784 QUDHKLMJIPJGST-DBAXCHAFSA-N 457.531 0.754 30 20 JCED C[C@@H]1Oc2ccc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)cc2NC1=O 1780093049 MWTNELLQPYNZIY-FPULEUEGSA-N 455.467 0.622 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1782643038 DSFZDCWGJWRTHY-RRFGBZISSA-N 450.586 0.801 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1782668526 XXKJKAMOMVSSBN-SBPAHFPHSA-N 473.530 0.559 30 20 JCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1783208693 GWNZSNKZRZJZHS-DJJJIMSYSA-N 478.468 0.704 30 20 JCED C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557107 AVDSHPYBXKEKSJ-QZMQVMSPSA-N 463.531 0.797 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1783918794 OFPZWZBVNRMYCR-OWLYRPNTSA-N 458.902 0.269 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784337015 ORABFCRACPEDDY-VGOFRKELSA-N 462.551 0.968 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CC(N)=O)[C@H]2C1 1784593418 QESPOUUTGXSYCS-FPSMNIFISA-N 466.579 0.947 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785520140 VNTQAAIFCHAWPK-WNHJNPCNSA-N 499.568 0.690 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cc2n(n1)CCCNC2=O 1788256274 NCOWZJPCDDZGJW-WLCHQOJYSA-N 471.562 0.082 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637376 PWSROQWACOBXOH-BZSNNMDCSA-N 450.605 0.149 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790654798 AFPOSPYAIZNGCW-BQFCYCMXSA-N 476.486 0.246 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c(C(F)(F)F)n1 1791075591 BCPODLRBNKDOKA-CQDKDKBSSA-N 450.373 0.653 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N(C)C(C)=O)C[C@@H]21 1792257792 MAZHAYZTIXDJFE-ZKIDJSGLSA-N 478.590 0.750 30 20 JCED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]3C2)C1 1792271840 SDCIIVFERADNDJ-DKIMLUQUSA-N 464.563 0.701 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)NC 1793288834 TYNVTWDFQDCPLP-XYKMGWITSA-N 450.536 0.182 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795645122 GNJRSJGHDUNNEZ-FSNPWBFUSA-N 482.578 0.498 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1796443596 RUIYWNQSYZMOPR-INUXOSNVSA-N 468.535 0.902 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797657067 DMSAJNVUIILZCC-HLPPOEQASA-N 491.463 0.598 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)N1CSCSC1 1797841998 GCCUAHDVLLBYLB-WCXIOVBPSA-N 455.650 0.901 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778425 VSQKXJVESHNVCK-FQRJBHLQSA-N 453.467 0.012 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)NC2)C3)N(C(=O)OC(C)(C)C)C1 1801101844 DONKILYYHITYNV-JNIAIEOXSA-N 476.574 0.668 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2)NC(=O)OC(C)(C)C 1801931628 TXJFNLWTXOCGDC-OGJJZOIMSA-N 452.552 0.570 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1)C(C)(C)S 1802924423 HOZWSRGCDKDOMP-HRCADAONSA-N 482.603 1.000 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803918774 VWJLYNKRMAESPD-FGSXEWAUSA-N 454.527 0.976 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]2c2cccnc2)c(C#N)c1 1808180146 YDAYOSSPTURCGP-FDDCHVKYSA-N 493.520 0.753 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809665413 OZKSOSUFLZKIDT-AAIMPIBUSA-N 455.559 0.290 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)/C=C\C(=O)NC2CC2)[C@@H]1c1cccnc1 1810124794 QVDRSMQNMSMWNH-ZBKAMSKXSA-N 451.527 0.781 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815850911 CJVICHVMDNGNHO-GHMZBOCLSA-N 463.541 0.559 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)COCCO)C2)C1 1828514203 MZOMTCXVIZNYSL-XMMPIXPASA-N 472.542 0.997 30 20 JCED CN[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1)C(=O)O 1828921094 MUCGOTCMRBKTKZ-CLOONOSVSA-N 497.552 0.805 30 20 JCED CC(C)(C)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828981647 SAASHRRTVYHBDV-RUZDIDTESA-N 484.553 0.915 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CNC(N)=O)CCN3C(=O)OCc3ccccc3)C2)CC1 1829471922 QBZLDIGYSOMRTC-QHCPKHFHSA-N 468.514 0.411 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)cc1 1829635387 FMRQKHUYKDYYPK-JOCHJYFZSA-N 461.540 0.765 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1829773820 WTJNPWFVXCFDJQ-IBLIISRWSA-N 467.526 0.351 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5ncccc5n4)C3)C2)cc1 1829903151 KCLRZNKBDNTWBO-XMMPIXPASA-N 460.494 0.914 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1830573609 MQXXDGJWCPIJMD-MBSDFSHPSA-N 467.563 0.522 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1831391903 GVNHAZOSJGHMCI-MZNJEOGPSA-N 468.510 0.042 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1831398587 HKDVNZKKRLCYIG-QMHKHESXSA-N 459.499 0.459 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])c(O)cc3C)C2)C1 1831398767 KISBPWSPPRGGNY-ZHRRBRCNSA-N 461.471 0.717 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)c1 1831461334 SLZLQPKCYXVBHJ-AOMKIAJQSA-N 479.555 0.318 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832540411 BCDFYDYRPXRMDD-AFMDSPMNSA-N 497.548 0.558 30 20 JCED Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)s1 1833020905 GKSDDZKGCIZVBW-QHCPKHFHSA-N 476.599 0.934 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccnc5C(N)=O)CCO4)C3)c2c1 1833315227 PEPFETBGBLGVHO-XMMPIXPASA-N 489.492 0.312 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)c(C#N)c1 1833497286 LAUVMOCDYLVKAW-DEOSSOPVSA-N 495.492 0.368 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CCC(=O)N3CCCC3)CC2)CC1 1833699038 LYMOEWVIFIFMAU-ALCCZGGFSA-N 473.618 0.819 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835358665 HTGKJSTUMGJEDI-HXOBKFHXSA-N 496.561 0.593 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCN2CCOCC2)CCO3)c1 1835440804 HDOYVWATODQSEC-VWLOTQADSA-N 470.570 0.670 30 20 JCED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](C)ON=C(C)C)CC3)CC2)CC1 1835511508 XGHMCWSWGGKHSR-LJQANCHMSA-N 478.638 0.523 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1835677410 HWHNPBFQMMRSDE-OAQYLSRUSA-N 473.559 0.438 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1835845320 MKZYLPYMNVKTEI-JOCHJYFZSA-N 485.585 0.660 30 20 JCED CN1CCN(CC(=O)N2CCC(N3CCC(NC(=O)c4ccc(C#N)cc4)CC3)CC2)CC1 1836287422 SAKOPZANTDEHFO-UHFFFAOYSA-N 452.603 0.991 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837050369 WGWSTCCEFPXFOE-CMQXEDBBSA-N 477.543 0.995 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)C1 1837392604 FNRDVCWXGKQDIS-ZVVFGRKBSA-N 466.575 0.995 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837405285 LOKQGUSRVIVPPC-HYBUGGRVSA-N 457.527 0.967 30 20 JCED Cc1cnc2c(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cnn2c1 1837444244 URVRKBRYGIEXIZ-SKZKPWFZSA-N 469.546 0.579 30 20 JCED CCc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1F 1837524307 FEPVKKFPRLVFDG-LEYRACOBSA-N 467.498 0.710 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3cccnc3)[nH]n1)CCO2 1838025933 BPHRIFUQTLQETM-VRWDYKOXSA-N 480.525 0.400 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838405128 CPMZMSDYXKRQTM-GSFTYZFASA-N 452.552 0.237 30 20 JCED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1838735329 INLNQYMMNBHNMJ-FHLIZLRMSA-N 498.671 0.483 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1838908430 ZXSJBZUPDNHIPS-QHCPKHFHSA-N 481.465 0.398 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839073622 QGOAAFPHUGFTNK-RZZUAFPKSA-N 481.594 0.828 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(O)cn5)C4)C3)c2c1 1839487860 JKZGROXGJNEESR-HSZRJFAPSA-N 462.466 0.919 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1839647916 HCUMBKAYZOSGCY-PNOMZVSUSA-N 458.490 0.736 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1839654656 BTEVMPLVELAUSO-NRFANRHFSA-N 479.990 0.766 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4N(C(=O)OC(C)(C)C)C3)C2)C1 1839810571 DIVMEKSEAKRNTR-RAZUEPIFSA-N 477.558 0.491 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1839890568 GZXMLYZQHMGYSV-XLIONFOSSA-N 469.489 0.125 30 20 JCED CCOc1ccc(Cl)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043550 GBHQLWRQSOFQMP-NRFANRHFSA-N 450.875 0.897 30 20 JCED COc1c(Br)cccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043613 JYEQLBCHAHJRLM-HXUWFJFHSA-N 481.299 0.616 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)CCO2 1840048089 PZYWAGNBNXTKJX-XCJWHIRFSA-N 491.585 0.615 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cnc3ccccc31)CCO2 1840102048 DIKAPJSQCKEITE-PODSUIKTSA-N 468.558 0.964 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840181380 YQNBYIBWFWTHEQ-GOTSBHOMSA-N 477.489 0.312 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(Cc3ccco3)C(=O)OCC)CCO2)C1 1840340330 DNTADWOWWYFHOH-DVECYGJZSA-N 491.541 0.733 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)C1 1840816468 VBICALBKOBJNIP-BJKOFHAPSA-N 492.573 0.509 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1840909235 PDKNRTLBVRMYTH-NBGIEHNGSA-N 486.569 0.997 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1845199912 BIVWFFPKMPDVLF-CQSZACIVSA-N 486.533 0.489 30 20 JCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CC1 29779753 HVQLGCDFDCWFGN-SFHVURJKSA-N 473.486 0.790 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 481053430 SRROZPSUGSMIJG-KBPBESRZSA-N 453.496 0.134 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 509279443 NFBJFSOEHYTHEX-UHFFFAOYSA-N 473.511 0.125 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O 608911156 NLCBHHKZAISVNP-UHFFFAOYSA-N 469.386 0.494 30 20 JCED CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccnc1 609038334 MUKMJYIFFYALKU-UHFFFAOYSA-N 480.594 0.715 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 728572375 BGSADHBWOORRKE-UHFFFAOYSA-N 487.626 0.117 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)CC1 728590005 RDYQXROYDVNMEN-UHFFFAOYSA-N 471.539 0.398 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 729671648 SRWYTUPVMVMDEU-UHFFFAOYSA-N 499.536 0.934 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)s1 729673406 NURAILBTYFTDQW-UHFFFAOYSA-N 453.611 0.600 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CCS(C)(=O)=O 729674172 DUMONVSJTLBOOO-UHFFFAOYSA-N 485.509 0.778 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnc3ccccc23)c1=O 731352497 MAKOWYMYOGFAJF-UHFFFAOYSA-N 450.520 0.466 30 20 JCED C=CCOC(=O)c1sc(NC(=O)CN2CCN(S(N)(=O)=O)CC2)c(C(=O)OCC)c1C 817839820 SFLHABABUYTINT-UHFFFAOYSA-N 474.561 0.336 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@H](C(=O)OC)c3ccc(Cl)cc3)CC2)c1=O 917457087 QXQKXCSHYYNCMT-IBGZPJMESA-N 489.960 0.687 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccccc2)cc1 918252720 GMRSJOSZSFSHJM-XHPQRKPJSA-N 471.539 0.984 30 20 JCED N#Cc1cccnc1NCCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 918270837 XZZJKPMYTGMHKI-LJQANCHMSA-N 464.482 0.134 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(=O)NC(C)C 1305783778 XQBUJYARCBMTLL-UHFFFAOYSA-N 484.609 0.961 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 1315654131 NSEAMEVVRAWDJW-LJQANCHMSA-N 469.546 0.759 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C)CC1 1503833401 KKZNFGNSWSIAKW-UHFFFAOYSA-N 467.559 0.791 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCC(=O)NC(C)C)CC2)c1C#N 1511666265 SGQGBNOKZIVPDC-UHFFFAOYSA-N 482.593 0.669 30 20 JCED CC(C)(C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1541197212 WHVCHXIEFJPASU-IFXJQAMLSA-N 471.559 0.358 30 20 JCED CNC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1554480673 RJHISRSXFDQSJL-GOSISDBHSA-N 486.602 0.508 30 20 JCED COc1cc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)ccc1C 1554750724 XSNFANGJYRDTLY-ICSRJNTNSA-N 490.586 0.900 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1CCS(=O)(=O)CC1 1611684880 SEOXNVPYPLLAFX-CQSZACIVSA-N 458.610 0.843 30 20 JCED CC(C)N1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1692489150 SFHPUYLEBUUHCW-FHWLQOOXSA-N 481.623 0.460 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1710264859 OWUNXJYCNAWBKX-MDZRGWNJSA-N 456.592 0.356 30 20 JCED CC[C@H](C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1727079538 KHFKNVBPFFBEJL-GVDBMIGSSA-N 455.585 0.070 30 20 JCED CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)S(C)(=O)=O 1728494977 RTLBVPKGSJEJNC-GOSISDBHSA-N 475.575 0.440 30 20 JCED C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740813601 JWMWAPCTETUBCG-UHFFFAOYSA-N 462.986 0.873 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)C1 1750848464 POWNGSMOFGYJKQ-FHWLQOOXSA-N 483.639 0.564 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1751096201 NOROOEIMMRQBKZ-ZIAGYGMSSA-N 467.518 0.843 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)F 1752281709 PJCYZRKMBMTIEW-CQSZACIVSA-N 488.503 0.159 30 20 JCED CCN(CCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)S(C)(=O)=O 1766866503 FORVCTORMVVGCC-QGZVFWFLSA-N 466.612 0.264 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(C4CCN(C(C)=O)CC4)CC3)C2)C1 1778321573 ZBDNTXBHLCRACS-VWLOTQADSA-N 458.603 0.953 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1779000838 YUAGDTXZJBEMRU-IRLDBZIGSA-N 451.640 0.518 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019095 CFOJPKLOAJWWID-RBWLTTHTSA-N 472.542 0.751 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4I)C3)C2)c1 1779544487 HAPOFHXWMJBHBX-KRWDZBQOSA-N 480.266 0.971 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1781161520 MRVDGOKWYHQJBO-GAJHUEQPSA-N 464.563 0.649 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ccccc3n(C)c1=O)CCO2 1781269547 ZGEKEMIWALRIQQ-DEOSSOPVSA-N 468.510 0.886 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781309103 XETJHOWCAYNLTK-ZQMYSKGWSA-N 465.547 0.538 30 20 JCED CCc1c(Br)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)nn1C 1782010312 KCTPHDZLBUGLJZ-JLTOFOAXSA-N 481.347 0.961 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(I)c(O)cc3O)C2)C1 1782112444 ZTWGJGSRLZBPEB-QGZVFWFLSA-N 456.236 0.779 30 20 JCED CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1782195367 RFIUHXBTGVLULH-QHCPKHFHSA-N 451.531 0.125 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1782893717 RXYAZRYTVBLKPV-UZUQRXQVSA-N 479.578 0.882 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2 1783267948 AFHKJMCOMYTYGM-DRSNIGMVSA-N 475.550 0.104 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1783349788 JSNARTPBWNLFLH-SEPYTNNBSA-N 479.530 0.224 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088111 JOONFOXNTKDWSV-KSFYIVLOSA-N 450.536 0.647 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C[C@@H]21 1784474847 PPUFFGCEQGTRQR-DGYLXYOXSA-N 471.554 0.184 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784485597 QATNPFNONPVNMX-BCYZHJNNSA-N 467.563 0.280 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785606840 FCILSVKYZQCXRC-GAJHUEQPSA-N 482.578 0.568 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=N/N5CCCCC5)[C@H]4C3)cc2C1 1788603688 NILKBBQZXPWXPN-LSQOZNOOSA-N 471.606 0.784 30 20 JCED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21 1788615514 GGPYTVTZLCDDJR-SNRMKQJTSA-N 459.572 0.644 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1788775737 QCRICWHQLRWKID-YRLHULLVSA-N 460.506 0.371 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]32)ccc1Br 1790197617 UGVCBEPPVCUFQK-IKICRFKJSA-N 492.374 0.507 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(C(F)(F)F)cn4n3)C[C@@H]21 1791076188 YHGWFMYDEWHIJQ-UBHSHLNASA-N 465.388 0.429 30 20 JCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1791267209 BKKKOXIYPHCYMZ-ZJOUEHCJSA-N 467.570 0.805 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1792175347 QGPJGEMZHMQQOP-OKYOBFRVSA-N 499.630 0.708 30 20 JCED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795968585 DDJOLQNCYNEMRB-DCXXXQMHSA-N 468.558 0.981 30 20 JCED COc1ccc([C@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cc1 1797810260 NKDHBXXACYNONC-VJURJIQZSA-N 461.515 0.847 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C 1799221533 IMAAPAGBQDZWFB-CLWJZODNSA-N 466.579 0.914 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC=O)NC(=O)OC(C)(C)C 1799295298 MMVIWESCQLPTJZ-LVEJAMMSSA-N 452.552 0.570 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1-c1ccncc1)C2 1799302582 GDMFSUXBRPPYHX-UPHUGPLXSA-N 453.499 0.980 30 20 JCED CCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777216 KXHHVYLLJVPFIS-RCJHGTSTSA-N 483.587 0.701 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)[C@H]2C1 1800779044 NEBFPABBTZHATI-AHMLEJMPSA-N 489.569 0.947 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCN(C)CC2)C3)N(C(=O)OC(C)(C)C)C1 1801103948 NQTPXZJPFONPRC-IIZPIQPGSA-N 491.633 0.389 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNCP(=O)(O)O)C3)c1 1801762705 LTQCSTAVDKQRCS-KUZCPNRJSA-N 450.432 0.242 30 20 JCED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1803449930 GKUXDICQZPBSMG-IIBYNOLFSA-N 453.524 0.966 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)cc1 1807025257 AHVJMYWKPWXHDP-QUCCMNQESA-N 457.427 0.998 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809665415 OZKSOSUFLZKIDT-JZWVFAODSA-N 455.559 0.290 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1810247126 SCZOERCPCCHIEI-LSTHTHJFSA-N 466.542 0.914 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1)C(C)(C)O 1814218917 FVYGBNCYBYCDLB-LSTHTHJFSA-N 488.541 0.840 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1817315280 LDGAIIQUSYGHBT-OAHLLOKOSA-N 466.506 0.728 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2 1819856420 RXIJWYLKPYLYCX-GDBMZVCRSA-N 479.559 0.832 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCN2C(=O)OCc1ccccc1 1828647528 HPUIZLSHBIDWPA-XMMPIXPASA-N 477.477 0.874 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)nn1)CCN2C(=O)OCc1ccccc1 1828663286 XAMRQOSCSKOMER-DEOSSOPVSA-N 493.476 0.336 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1829334253 FZPRJWZMLQXFIA-XMMPIXPASA-N 467.478 0.506 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829520007 SVTWXPJYJFJCTF-BLTFUYFMSA-N 450.927 0.672 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](OC)c3ccccc3)C2)C1 1829765280 RORDRGBWZDKAGS-RTEXXJMJSA-N 457.527 0.689 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1 1829945120 RREJTZGFAPQOCP-RDPSFJRHSA-N 454.527 0.473 30 20 JCED CN1CCC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1830006369 UWMQOSHSZCQZNY-RUZDIDTESA-N 461.603 0.873 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCOC[C@@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)C1 1830064419 LFERZIZCHZIEHY-PKTZIBPZSA-N 480.562 0.364 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)c1 1830457593 BOENQOFNQJRWKG-DEOSSOPVSA-N 479.493 0.749 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)C1 1831388313 QHIMUKXVBVAEMJ-BXKMTCNYSA-N 454.479 0.901 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1831433075 PHAANFQJGATMOF-HXOBKFHXSA-N 461.515 0.919 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1831437341 DDKJTSFHHUGEEV-HTAPYJJXSA-N 455.552 0.949 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)c(=O)[nH]c1C 1833389620 OFDPVFYVJGLNGR-HSZRJFAPSA-N 451.483 0.642 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C)cc(C#N)c4)C3)C2)n(C)n1 1833446445 JPRWHJDCKWXJOD-QHCPKHFHSA-N 453.499 0.993 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CC2)CC1 1833467724 XIPHOMCOSQICLB-KRWDZBQOSA-N 496.568 0.902 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833787178 ATSKYICTOSQEFR-UFZNEBFXSA-N 467.910 0.729 30 20 JCED CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1835430080 OIEYMCBCIKGNDP-LJQANCHMSA-N 469.420 0.130 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1835521644 VOHYMJJGXPVECE-HYFFOGBASA-N 454.568 0.507 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(NC(=O)OCc3ccccc3)CC1)CCO2 1836689346 UQRXFIZBOXSUEA-NLFFAJNJSA-N 499.564 0.940 30 20 JCED C=CCC(=O)N1CCC(OC2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 1837128742 MJVOQFQIPZCTMN-UHFFFAOYSA-N 472.546 0.008 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837297350 SIWHSFLXKUBVSC-BJKOFHAPSA-N 487.509 0.687 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837755709 AJBAYAIUPAFBHG-UTKZUKDTSA-N 452.577 0.949 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837756284 VUDWJGUNPHCTEO-OAQYLSRUSA-N 450.561 0.914 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838439406 PPJYBUAAWIXQTR-UUOWRZLLSA-N 472.542 0.922 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838509129 KZEOHBPDCNIYEO-IIBYNOLFSA-N 461.544 0.729 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)cc4nn[nH]c34)CCO2)C1 1838617734 DVVKJEOKNMHUHS-SZNDQCEHSA-N 461.906 0.720 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1839109629 OQGZDZGVWBQWCP-IECBHUPTSA-N 479.574 0.474 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839133268 IMZWWRDMFUVBFK-WIOPSUGQSA-N 486.569 0.871 30 20 JCED C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401169 CYELREPABCBUNT-ORAYPTAESA-N 452.305 0.772 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840141508 JKUOPOPNYWGUMQ-IECBHUPTSA-N 476.574 0.480 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1840840090 XKNRUAONBCGLBF-PNTFMKQHSA-N 493.601 0.864 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1840844560 BXXTZTKIVSXPJO-HXOBKFHXSA-N 481.546 0.313 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1 1840904988 ZFBDEAVNRXPBEI-YABZZONLSA-N 485.585 0.653 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1840906910 LHRCDELWCWTZDC-LLJLJFOGSA-N 494.589 0.274 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC)C2)C1 1840908846 IQWPFVWNEOGLFY-IEGUWTFLSA-N 466.579 0.357 30 20 JCED C=C(C(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1)C(F)(F)F 1845874297 QIGWCBKTJPTBTF-QWHCGFSZSA-N 460.478 0.488 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1 1846211618 FHXDDXTXMWOJHE-HOTGVXAUSA-N 451.520 0.685 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)CC1 10576294 LTVGWNUJXUFMCW-UHFFFAOYSA-N 489.510 0.834 30 20 JCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 489246216 AYVDFBQTWBCMBJ-UHFFFAOYSA-N 465.478 0.902 30 20 JCED COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604168910 LXWXVJSOSURJRE-MRXNPFEDSA-N 486.554 0.554 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 728534924 XQQNWYVRXCNBBP-UHFFFAOYSA-N 484.981 0.773 30 20 JCED C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 758242903 QJHZIOBJHMIQID-QHCPKHFHSA-N 481.534 0.858 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(-n3cncn3)nc2)CC1 878538937 JHISHXZJQIAWFK-UHFFFAOYSA-N 481.494 0.224 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H](C)c1ccccc1 917794971 ORVVDTMZJYVNCI-HOTGVXAUSA-N 451.552 0.907 30 20 JCED C[S@@](=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)CC1 1302508748 SRWLYPSFIBHRCZ-DHMKHTPVSA-N 470.621 0.652 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1=O 1504926653 RZEPFWGOJNZZQF-SFHVURJKSA-N 488.570 0.458 30 20 JCED C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1662090516 KKDPNUDRXCQURZ-QAPCUYQASA-N 456.590 0.674 30 20 JCED C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1693860695 SYMZDUCFFURDBC-QGZVFWFLSA-N 460.560 0.684 30 20 JCED CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 1695908274 WITVBFQBTRYGFS-QFIPXVFZSA-N 496.616 0.708 30 20 JCED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1729713014 JNXNGGWAOIUVHI-KRWDZBQOSA-N 475.575 0.583 30 20 JCED CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(O)CCS(=O)(=O)CC1 1747205382 KAEWDFUDFZOBBL-UHFFFAOYSA-N 488.614 0.948 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1750213088 OJUMZMSMCGNULW-SFHVURJKSA-N 487.586 0.441 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCC(F)(F)F 1761234746 ZQNUTCYGALHAJO-UHFFFAOYSA-N 479.467 0.688 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779397276 RFRHADOGCHAGEH-UZUQRXQVSA-N 469.542 0.402 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)c1 1780181806 MMJTWAYPZFXUPC-XMSQKQJNSA-N 468.470 0.784 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780188386 VHWAWMCMGIQUQM-VBKZILBWSA-N 468.963 0.983 30 20 JCED COc1nccc(I)c1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1780363359 FXCBLVXRNQTMAI-SFHVURJKSA-N 499.261 0.226 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1781264001 OJDOMQXZSMZFRX-NRFANRHFSA-N 461.544 0.981 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2)C1 1781597926 KTAKIXJWQGRATN-SFHVURJKSA-N 466.244 0.889 30 20 JCED O=C1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CCN1 1782270254 NWGMETXMZMIUEU-OBKVLKSSSA-N 450.536 0.556 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1783647274 SCVREAXYXDTDBK-JPHBTFASSA-N 477.583 0.907 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2)c1ccc(O)cc1 1784023436 RUAHMJADOXZBRZ-KBMIEXCESA-N 465.506 0.644 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)[C@H]2C1 1784101492 YQXURJJFHREKSM-DIXNWWEZSA-N 478.590 0.985 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1784246063 XCVUWZVHHGQXSW-CVDCTZTESA-N 489.550 0.066 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1785598233 NLQOCVUPYYXAQS-JUJUEEDWSA-N 495.573 0.902 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786364153 SJDKTSZXEYKYHB-CKBXSBTMSA-N 464.563 0.888 30 20 JCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ncn5nc(N6CCOCC6)ccc45)[C@H]3C2)CCC1 1787178674 XMNQKQAFUHEIOZ-BJLQDIEVSA-N 493.568 0.853 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1 1787427464 KMCYJWVWDHLXRC-TXTZMMAHSA-N 453.584 0.112 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789842011 PLPVSPWDCACFGE-QLIIJSOBSA-N 457.531 0.536 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076685 DCAQWIYJGOJKAU-XSLAGTTESA-N 463.531 0.844 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)n4cnnn4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791379253 XXAZZPPAVYMKRT-VMXHOPILSA-N 489.577 0.779 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21)NC(=O)OC(C)(C)C 1792110288 QYGMRYYCSLUUJV-MHORFTMASA-N 466.579 0.914 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1792148509 NPFXTPXQWANJGO-ZJOUEHCJSA-N 454.527 0.929 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1792569286 GGKQKOYVSYIRGA-NOAPQPETSA-N 492.573 0.939 30 20 JCED C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1793432974 UENFDLPOWZVQBM-VXIBKDFQSA-N 491.589 0.628 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795084533 CUAYYVBPHOJRAS-BAAGSCJXSA-N 470.530 0.642 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCCNC3=O)c(O)n1 1797322838 OZKWTBLZSFNGJS-VPTLXERWSA-N 494.552 0.753 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(N4CCOCC4)n2)C3)c1 1798693637 ZAAGELIAGVXLQU-UPHUGPLXSA-N 450.499 0.635 30 20 JCED Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1I 1799510327 XWQZSVWTFSWLDA-ZSBFGKGUSA-N 482.274 0.891 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c1 1799799679 LJTSKMHMPGFAAH-HGKCTWBKSA-N 469.523 0.535 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12C[C@@H]1CCN2C(=O)OC(C)(C)C 1800769672 MZDHTMIHMPUCRG-GPUJSCPDSA-N 488.585 0.834 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1Br)C2 1800774318 VCCNMUJYRNLNKN-DBWKPXFBSA-N 453.264 0.808 30 20 JCED CC(C)[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)NC(=O)OC(C)(C)C 1800898222 QCLJIQBJSONBPU-QOIOWGMHSA-N 451.520 0.603 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800988972 DEBIPPZVXGTMGP-OOOWVJFSSA-N 499.630 0.941 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnn(C)c1)C2 1802128077 XVXKPRODHXKQAG-JTJHWIPRSA-N 473.574 0.859 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCN2CCOCC2)[C@H]1c1cccnc1 1802482733 QQLSUIWEJLGYMD-GWARFZQJSA-N 455.559 0.668 30 20 JCED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)cc1 1802575795 KYHJDFLBEGLFBG-RCZVLFRGSA-N 495.605 0.932 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2 1804462354 GSIVNXFQMSZIEG-TURABVPUSA-N 459.547 0.911 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1812872800 IADNXTJNDPHJCR-LQWHRVPQSA-N 486.525 0.811 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C2 1812880845 SLLIBNFFTFJOFY-STSQHVNTSA-N 493.520 0.811 30 20 JCED N=C(N)NCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828571559 CDCXFYGMWRGMDA-DEOSSOPVSA-N 466.542 0.335 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1829266713 FJVIACUCPYCGMK-NTKDMRAZSA-N 464.526 1.000 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1829773743 SMTKIOWWPAGJOP-VLBOBANCSA-N 469.538 0.695 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)[C@@H]1SC(=N)NC1=O 1829902022 GQNLZLMKZAFKRY-IGCHPXFFSA-N 485.566 0.360 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)n1ccnn1 1830463366 ZPDACTPELFMCDQ-FDDCHVKYSA-N 452.515 0.800 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830761062 UOFHKKPYOJMYOD-YKSBVNFPSA-N 466.542 0.989 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CCO2)C1 1830881503 YBGZTPBKGHGCQB-YDIMBITNSA-N 497.589 0.670 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1 1831997732 FPYLKPWDMIKZEE-MBSDFSHPSA-N 485.578 0.575 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1833476051 SQMZDYJXYGIMFR-OAHLLOKOSA-N 479.603 0.614 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)cn3)CCO2)C1 1834087742 VPBLNZWNDVCDJV-MHECFPHRSA-N 487.557 0.772 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3CC)CCO2)C1 1834419131 YXYJLNQKINPBNO-HOYKHHGWSA-N 489.573 0.890 30 20 JCED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)CC[C@H](N)C(N)=O)CC3)CC2)ccc1F 1834735325 OYYHJFJBZVOJEL-NRFANRHFSA-N 472.565 0.404 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1835682434 IOZHAJALWUMANU-QHCPKHFHSA-N 472.521 0.825 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nc2nccn12 1835682458 KPAHSLDMXZDEFS-QHCPKHFHSA-N 469.546 0.390 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731897 PZTONBHMVXDXSJ-KWXFCVSUSA-N 458.611 0.958 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(N)s2)CCO3)c1 1835845248 LFUBCBVURISZFM-NRFANRHFSA-N 457.512 0.989 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CCN1Cc3ccccc3C1=O)CCO2 1836593727 NECMSKFIWRRGTG-VWLOTQADSA-N 451.523 0.902 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc6n(n5)CCC6)CCO4)C3)c2c1 1837095803 WPNNALOIFHHERB-XMMPIXPASA-N 475.509 0.961 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1837122666 RREWFQGUBNXQNI-XRTQSOMPSA-N 471.514 0.933 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1837208778 NJQUUYLQKASNJY-DENIHFKCSA-N 483.638 0.558 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837446658 MAUNUMNCSNSILU-VSIOZEBNSA-N 450.536 0.258 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837466616 FWIBEFXFJPRQSG-NRFANRHFSA-N 463.535 0.251 30 20 JCED CN1CCC(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1837524730 GULFBZLAPUXLRU-NNSWWULUSA-N 466.579 0.704 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837635640 COVLECWXJZIYKX-URZJJNJKSA-N 475.542 0.482 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)cc2NC1=O 1838587928 JTFVWFSLHWWOJD-CRICUBBOSA-N 499.568 0.758 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(C)nc4)C3)C2)c(C#N)c1 1839131599 NKAWVFPDRUGRHE-DEOSSOPVSA-N 465.510 0.978 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)C1 1839173311 JMIVTVGGHBTUIC-KHCICDEESA-N 480.558 0.932 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1839176520 SWKSELBORQZLIO-HSZRJFAPSA-N 456.499 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839274486 BHIKNWILALAVDE-JOCHJYFZSA-N 477.470 0.880 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(CO)on5)C4)C3)c2c1 1839489077 OPYZJUIGDVDKNO-QFIPXVFZSA-N 466.454 0.299 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C1)CCC2 1839584375 MMXCTYMMPSNLFC-RUZDIDTESA-N 479.537 0.929 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839648861 MIISZRYETUWGGV-REROXQDQSA-N 492.573 0.399 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1839651112 MUURZNFEVOMPCE-DHNIJCFSSA-N 460.535 0.043 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1)C(F)(F)F 1839891727 UJZPBJMJRKZRNM-ZDUSSCGKSA-N 466.306 0.917 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)[C@@H]2C1 1840009442 IYZXGWMBYMYAIU-UVYNTUDKSA-N 473.570 0.969 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1840180872 YJDDCKQEPUKXEB-VXKWHMMOSA-N 479.917 0.897 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c(C#N)c1 1840204869 RKZIGORRIBDDMD-OAQYLSRUSA-N 498.458 0.244 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1)c1ccc(O)cc1 1840222600 UPFNSWXYQKUHMK-HYBUGGRVSA-N 460.527 0.355 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCC)CCO2)C1 1840526064 XZFRLNZKCKUIAD-WZONZLPQSA-N 467.563 0.786 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609983 LSMKGZPWSIGGFN-CDXSOPQDSA-N 477.558 0.252 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)N(C)C)C3)C2)c1 1840711857 KTBXVJNLTCGFCC-UZUQRXQVSA-N 457.531 0.655 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840783029 QBBHQELURVMRBK-CJDPIKCHSA-N 479.505 0.917 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccccc4C(=O)OCCO)C3)C2)CCC1 1840814562 QLIDEMPITUXRFE-XMMPIXPASA-N 471.510 0.600 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1840909301 QAZSPNOCDTYQHA-FDDCHVKYSA-N 475.546 0.325 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3C)C2)C1 1840909528 VDQBQSQNIWPESM-DVECYGJZSA-N 487.557 0.772 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1845131481 IUOGXUKCVVZXOV-MRXNPFEDSA-N 475.546 0.438 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N1CCCC13CN(C(=O)CCC#N)C3)CCS2(=O)=O 1846141285 JTYJVNZGYWAFJU-INIZCTEOSA-N 480.587 0.918 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1847803735 ZWEAKRXMFYDYQV-OWSLCNJRSA-N 485.603 0.555 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C1CCN(C)CC1 518716440 ZLPWUIHMJUDZAH-UHFFFAOYSA-N 462.522 0.720 30 20 JCED CS(=O)(=O)NC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCCC1 603806362 VQYPYKVVAWTIHX-UHFFFAOYSA-N 483.616 0.826 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(OC)nc1 608884047 HXNIQGRLSRHCLN-UHFFFAOYSA-N 471.564 0.805 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)C1=O 623190906 OIBUVMZUKXXLMR-UHFFFAOYSA-N 468.470 0.366 30 20 JCED N#CCOc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 727949120 GJYWNVYHKWRSGB-UHFFFAOYSA-N 458.496 0.865 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)NCCOC)CCCC3)CC1 728573620 SKARKMRFHHVWHS-UHFFFAOYSA-N 475.615 0.309 30 20 JCED N#C[C@H](C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 916995351 XLQXAWLYDCLQEN-TYGLWHFOSA-N 466.406 0.820 30 20 JCED COc1ccc(CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]2CCS(=O)(=O)C2)cc1 917370443 PNPUAQXDQIZCLU-MRXNPFEDSA-N 477.564 0.950 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCN(C)C(C)C)CC2)c1C#N 1492727895 LRDMSUKBHCLKIQ-SFHVURJKSA-N 454.583 0.810 30 20 JCED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1503303078 LRNINLODMBUIID-AZYRPFHASA-N 480.616 0.967 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1509763974 OIFLOINGMADWLL-UHFFFAOYSA-N 488.618 0.355 30 20 JCED C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1510237748 USZZCFKWBMHKQI-WFXMLNOXSA-N 476.559 0.247 30 20 JCED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C 1708181480 RDFLFYLRDHSSRT-WBVHZDCISA-N 457.560 0.765 30 20 JCED CN(C)C(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1710983139 SPNDDRKRHMQVSH-QGZVFWFLSA-N 489.577 0.996 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1730764205 RUOCBWFXEMISMO-QZTJIDSGSA-N 452.581 0.805 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(=O)(=O)c2ccccc2)CCOC1 1767482407 IWEZLJICKYJAAD-UTKZUKDTSA-N 476.559 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1777773478 UXFNTZIGPGCLKG-UZQCKINESA-N 452.515 0.648 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)C1 1779137842 JLPIIWMIHOAGHB-PPIYXURKSA-N 490.557 0.900 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C3)C2)c1 1780203593 LEJYPTSFDPOOAO-QFIPXVFZSA-N 463.454 0.636 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780338100 YNUJDICZZHXLSJ-VGSWGCGISA-N 461.519 0.606 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)CC1 1780596886 BEVCQANKNOQOIC-QFIPXVFZSA-N 460.556 0.673 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1781013818 BYCRPZWVDXUWLX-ZPSHBXMVSA-N 462.547 0.684 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1781251799 ISRRWYKEUSAFRF-JLHGSKIFSA-N 452.552 0.810 30 20 JCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)n1cnnn1 1782605602 XDXAYXFRLLZXOV-GKIWIXTESA-N 463.502 0.810 30 20 JCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2)C(F)(F)F 1783202273 FYBDXLGBUBPJEZ-BUXKBTBVSA-N 456.421 0.941 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H](C(=O)OC)C3)C[C@@H]21 1783533148 SBSVXTMWTATMKA-MYXVRNBVSA-N 461.559 0.804 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(-c3ccccc3)nc3sccn3c1=O)CCO2 1783562183 HMXDKJJKXKLVTI-XMMPIXPASA-N 492.513 0.955 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1783864999 PDUDMWXHLDXLRD-PRJWMFDWSA-N 455.577 0.261 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)CCO2)C1 1783901346 XZFWILVOYYJHSH-LDQAXMLRSA-N 477.583 0.907 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784008952 AAXBDFDAQKMTIO-VSDWSMLSSA-N 482.578 0.989 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1785598467 RXQAYKTUUAQZEP-MQNAVGNWSA-N 474.562 0.968 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]32)c(C(F)(F)F)n1 1787198907 JLQMKAOXMUIJAB-KSYCFECVSA-N 482.463 0.158 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787494921 OYWCSGGIAKJJBT-QOTRURMSSA-N 452.577 0.342 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)CC4)[C@H]2C1 1788251590 RCNHVKBGYRQVCR-LNLFQRSKSA-N 471.558 0.903 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788255584 UXGQGSMKTYFQQR-BXWFABGCSA-N 473.530 0.119 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21)[C@@H](O)N1CCOCC1 1788646083 QXZFTNAEQPBVCR-QUZFRVLNSA-N 461.946 0.322 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1789098660 GGCZTTZYIDDWDE-MUGJNUQGSA-N 472.542 0.830 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)O2)C1 1791072919 HVQWHEXOAWWLLO-XSLAGTTESA-N 491.541 0.223 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1791265471 IJGODVTYWMCFOU-DZTUFKMZSA-N 457.593 0.655 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1792267417 ZDDKIAPGYOTBCP-PFEYMUGESA-N 474.562 0.878 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1)NC(=O)OC(C)(C)C 1793421191 MVVPSSKMPCSNGC-RIUYPTKQSA-N 466.535 0.544 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1793595466 MUBQBRYNAGHIHG-WXQHOCMDSA-N 450.536 0.324 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C 1796387643 BFYGQFUHNVWRCU-HUSXULAJSA-N 464.563 0.738 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3nc4ncccn4n3)c2c1 1796958152 PLLJZFJZTSELGH-XOIINTDNSA-N 457.454 0.389 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1797695378 QBCAZXRLOHNLLC-NFFDBFGFSA-N 482.463 0.883 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O 1797964689 XCOUJGPMRCZBFA-MTHXSQLBSA-N 482.578 0.197 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(O)cc(O)cc1O 1799658587 HPYMNYJJIKMSCI-IDLUEMFASA-N 489.525 0.923 30 20 JCED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1800335379 GEPSTZMADXMFQI-VBRUWADQSA-N 492.642 0.749 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1801761160 YKKLTLIUCPNFCN-WMIGDMCZSA-N 462.510 0.771 30 20 JCED Cc1ccc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cc1 1802120612 DUULZYNMFPPAHQ-FNQUMEMASA-N 472.542 0.843 30 20 JCED C#CC(=O)NC[C@H]1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)[C@H]1c1cccnc1 1812534913 RCDQKTVZUMFPEU-GCJKJVERSA-N 469.542 0.800 30 20 JCED COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)c(C#N)c1 1814808057 NTORINDTTKLJJP-ZBFHGGJFSA-N 470.555 0.771 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCN2C(=O)C=CC2=O)n[nH]1 1815470027 JKBJDZKWZQHTNG-WLMCBFPDSA-N 454.487 0.575 30 20 JCED CN[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1)C(=O)O 1828572292 NZAAIMHAXUVLKI-RLWLMLJZSA-N 496.564 0.915 30 20 JCED COC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828811381 YUJMMGCBJZNUAH-QFIPXVFZSA-N 457.487 0.708 30 20 JCED CN1CCN(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CCC#N)C3)C2)CC1 1829105617 RJDUHYNNSCEXMM-AREMUKBSSA-N 496.612 0.990 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1829267082 POGZDAQRTPOYMP-UUOWRZLLSA-N 452.511 0.762 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1829267587 VTGDKJWOVPPPDG-HSZRJFAPSA-N 450.499 0.754 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccon3)C2)C1 1829332482 NQTIUUXWPQONDY-QHCPKHFHSA-N 466.450 0.828 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C3)C2)C1 1829673255 IFBQFCQWRWKTLH-UUOWRZLLSA-N 495.573 0.865 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncncc4c3)C2)C1 1829770446 QINVTZSVKFMYHO-VRWDYKOXSA-N 465.510 0.558 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2 1831096782 VCEWAEREPUOBMU-CVDCTZTESA-N 467.563 0.503 30 20 JCED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CC1 1831230558 ZGOVETARSKPUAC-RCCFBDPRSA-N 461.588 0.700 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1831396701 PXEPLHCGAVJFFK-HXOBKFHXSA-N 453.499 0.580 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831438153 KUBXIYIWQCLMBI-QHCPKHFHSA-N 475.567 0.853 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1831484274 VJMYLYFLSZZQEP-SSYAZSBWSA-N 493.626 0.577 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832043750 BZMWFYPLMLBGOV-YIPDWCHPSA-N 492.573 0.311 30 20 JCED O=C(CNC(=O)C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832193994 VOESWKHPDONXJR-ZDUSSCGKSA-N 453.311 0.022 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3CN1C)CCO2 1832463272 SMWYYRFWMHICAI-XIUULHIQSA-N 482.581 0.358 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833614444 GGNLTMCHRNINDH-CYFREDJKSA-N 474.558 0.579 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)CN4C(=O)CNC4=O)CC3)CC2)c1Cl 1833677917 CRZPEEQGOWNFKY-UHFFFAOYSA-N 486.960 0.949 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)C[C@@H]5NC(=O)NC5=O)CC4)CC3)c2c1 1833764039 HAGWVSJGBWFNIV-IBGZPJMESA-N 492.540 0.218 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c(Cl)c1 1833766417 ODJDQDUFIMIVNX-IBGZPJMESA-N 486.960 0.995 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833833395 RJMKRMKCTWTLLL-SJORKVTESA-N 485.585 0.603 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834760800 KUBMPDRRIXJTDF-RTWAWAEBSA-N 454.499 0.706 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)n5[nH]nnc5n4)CC3)CC2)cc1 1834974182 XPVGJFBPYKOKCV-UHFFFAOYSA-N 475.513 0.183 30 20 JCED C[C@@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1835528462 FDWOQFILCYLDFS-MHECFPHRSA-N 493.605 0.578 30 20 JCED C[C@@H]1CCc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)n[nH]c21 1835676958 GLSCBLHNBFMFMT-MWTRTKDXSA-N 458.563 0.811 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1ccccc1=O 1835677206 BGINSLOOBPGGPZ-MBSDFSHPSA-N 459.547 0.148 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)N1CSCSC1 1835678036 VJJKIWXVFQFCBJ-UTKZUKDTSA-N 485.676 0.768 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)N4CCOCC4)CC3)CC2)cc1 1835759446 NEJHOUMUWKTQHX-RUZDIDTESA-N 469.586 0.323 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)CCO2 1836723532 LPUJNYYGDRLMNL-MHECFPHRSA-N 479.574 0.738 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837385378 QLFRSWPNZKCUAR-NPMXOYFQSA-N 483.529 0.212 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1837402793 FGQANOKSQZSPNM-HYBUGGRVSA-N 469.542 0.910 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1837404826 CJWOGODNWBZPJW-WMZHIEFXSA-N 498.573 0.872 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1837446754 OKLAMGVNOFYHGA-XTVKVDEJSA-N 454.531 0.876 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837526697 FQJASPJHUQLWOF-RYHHNTQBSA-N 472.502 0.557 30 20 JCED N[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1cccnc1 1837527767 VWBINAUGDKJXMX-XPMVYTBXSA-N 475.546 0.457 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)c1ccccc1 1837616084 UVJRHDQXFZSESG-NLFFAJNJSA-N 485.537 0.183 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837655945 HMSRMIZBGYWSNY-JOCHJYFZSA-N 464.588 0.662 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1ccccc1=O 1837686912 MPFHBESKDOIMAX-MYLUVWHHSA-N 456.499 0.578 30 20 JCED COC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838403998 JMQKUXIFUGGNGP-KMUCBOENSA-N 454.524 0.870 30 20 JCED COc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838732437 QYVGOAMEOMGYFN-QHCPKHFHSA-N 453.499 0.993 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1839174031 BIYYWFSGLHDHKO-QFIPXVFZSA-N 495.554 0.065 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1cncn1 1839188075 KEFOHUACQVPACV-AOMKIAJQSA-N 456.478 0.549 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO3)C1 1839203373 JTFNKOXNSGNXFW-MBSDFSHPSA-N 467.563 0.685 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1839224971 ULVWKKRJFZKNDZ-YZZKKUAISA-N 499.609 0.486 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)Cn5ccccc5=O)C4)C3)c2c1 1839487747 GFFSNBGUDMDFKV-DEOSSOPVSA-N 476.493 0.366 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN(Cc3ccccc3)C(=O)C(F)(F)F)C2)C1 1839809650 FBRXJRBWUWIKOX-OAQYLSRUSA-N 467.444 0.667 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1839880112 GOEGHIPZZZNHOH-YIGJPRQDSA-N 496.605 0.827 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1839887595 JOWYWYFVXFJECC-HXUWFJFHSA-N 487.525 0.908 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@H]2C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840008294 FEEZFYCVMNXAIB-MHECFPHRSA-N 492.573 0.630 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(F)c(OC)c1F 1840043556 GIVNJGYGZMTLSH-NRFANRHFSA-N 468.409 0.140 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840160513 JCKKNRMWNCBLDW-MDOVXXIYSA-N 461.581 0.301 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1840227310 NURHXBKDTKUMQQ-GBXCKJPGSA-N 454.527 0.473 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cncc(C(F)(F)F)c1)CCO2 1840340011 LWYGZHWKYXHTBT-FQEVSTJZSA-N 469.416 0.577 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c1 1840409971 NTRQSAHMLRLLEQ-QFIPXVFZSA-N 455.446 0.636 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(=O)c2cccn2C)CCO3)c(C#N)c1 1840483262 ABRSIFRXKKLEIZ-RUZDIDTESA-N 480.521 0.787 30 20 JCED CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)C2)C1 1840570113 RAYQMZSKIFXCJX-HXUWFJFHSA-N 467.448 0.604 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)ccc1F)CCO2 1840684708 YMSWLSFZYKYHIV-KSEXMQBYSA-N 461.490 0.763 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1840844036 AGTONEVANAWZSK-UMXIMWEHSA-N 455.555 0.492 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CC)n3)C2)C1 1840907562 YDBREEPGMFGFHE-UUOWRZLLSA-N 489.573 0.890 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 1841984692 AXXZYLFPDXIFCE-UHFFFAOYSA-N 456.547 0.630 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842919775 XUSBPQPVDIZNKL-IRXDYDNUSA-N 463.579 0.842 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842921235 YNWUKTCJQPTYSB-INIZCTEOSA-N 479.578 0.928 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1845131287 OHBWBJOTQRIKQA-INIZCTEOSA-N 478.546 0.430 30 20 JCED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 480218447 VHLDADTXKCMBFD-QZTJIDSGSA-N 497.573 0.658 30 20 JCED COCCNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 506166781 QEELNPKQNYEWGN-UHFFFAOYSA-N 458.544 0.910 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 522530439 DRSCJTLFWCBBJF-UHFFFAOYSA-N 477.546 0.439 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cc(C(=O)OC)c(C)o3)c2=O)cn1 523580815 IJWHYZIMYWKPEA-UHFFFAOYSA-N 481.534 0.929 30 20 JCED Cn1c(N2CC(C(=O)N3CC(C)(C)c4cc(N5CCOCC5)ccc43)C2)c(C#N)c(=O)n(C)c1=O 582133917 UREQWMSEMKETTR-UHFFFAOYSA-N 478.553 0.553 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 588116265 PLHMHYCHERCDEP-UHFFFAOYSA-N 458.544 0.410 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(N)=O 608911101 JLEZGNRNYFCUEZ-UHFFFAOYSA-N 483.377 0.748 30 20 JCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 619807268 ZIVGSLOJRJFGPK-UHFFFAOYSA-N 463.560 0.390 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 725763374 IJXQDVKKERCDKZ-UHFFFAOYSA-N 493.589 0.553 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(N)nc(Cl)c2)CC1 728626302 CHSKTCSQAGCLMT-UHFFFAOYSA-N 463.903 0.879 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 729437099 RWIXDRZVLSIPHH-HNNXBMFYSA-N 480.543 0.834 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CC2)o1 915374108 OLEIYHOPLAPXEF-UHFFFAOYSA-N 473.511 0.801 30 20 JCED N#Cc1cccnc1NCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 916639953 DISGXBLRMDEIIY-UHFFFAOYSA-N 469.527 0.576 30 20 JCED C[C@H](c1ccccc1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 917794093 BUUFKRBRVDARCD-GOSISDBHSA-N 492.605 0.204 30 20 JCED CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 919362244 VDMVXJDCLCXBOF-KRWDZBQOSA-N 467.548 0.641 30 20 JCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1Cl 1135633401 UUMUSIFIDJPREH-RDJZCZTQSA-N 450.948 0.896 30 20 JCED CN(C)C(=O)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1516961449 VEMWFRBVXVAACX-INIZCTEOSA-N 453.569 0.219 30 20 JCED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1541123429 MQKSDSQPXBNBQR-ZIAGYGMSSA-N 454.578 0.624 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1692796859 SWQHADNOYHOOGK-GDBMZVCRSA-N 466.612 0.370 30 20 JCED CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1696927466 MMEBIROBIULVBB-HSZRJFAPSA-N 467.530 0.550 30 20 JCED COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1O 1697454902 UDFJTPCTNWVQOV-KBXCAEBGSA-N 464.548 0.969 30 20 JCED C[C@@H]1CCCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1743096248 PCFHIVFCGWZQAH-LMMKCTJWSA-N 464.640 0.797 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1750193266 OWJOTIRLXXBKHC-GOEBONIOSA-N 465.557 0.512 30 20 JCED CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1777984013 ABMQMFWZOGZROY-NHJLULLMSA-N 453.540 0.476 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014067 QBZVVLHUTQKPQR-ZVRSWVNDSA-N 467.567 0.174 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1779405840 WMXYUGZNDYBXPD-WOIUINJBSA-N 460.487 0.509 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781290499 HPVCOGCSKCXEAR-MFEFFIJZSA-N 481.594 0.269 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CC1 1781300347 ORLWYYVTIKGLPA-HSZRJFAPSA-N 492.573 0.741 30 20 JCED CN(C(=O)OC(C)(C)C)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n(C)n1 1783561729 HZQYOFHQUDBZRI-JOCHJYFZSA-N 475.502 0.323 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)CCO2)C1 1783900016 JDNWRLKIYHGMBU-QVKFZJNVSA-N 470.592 0.214 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784094193 SSBCONLFIQLAIZ-JTSKRJEESA-N 460.535 0.674 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1784371353 DJVSQILAFHBLJY-NFBKMPQASA-N 450.499 0.472 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1784500120 DAFXDEOXDVKZKK-VMXHOPILSA-N 469.579 0.833 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)N2CCOCC2)CCO3)cc1C#N 1785196748 NZFAXCQIWCCCFA-UPVQGACJSA-N 472.542 0.440 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1785378602 KUUIECALQLLBRA-QHCPKHFHSA-N 462.466 0.829 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785609279 YMGSVWQWQZPNCM-KSFYIVLOSA-N 450.536 0.389 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1785622734 UKBLBUUEPICDGG-VWMXVWASSA-N 489.573 0.493 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1788571601 OWWIEZHROGLVGI-NCTLDZBQSA-N 474.558 0.546 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1789297240 HLSXCUYLEYQWOV-CAMMJAKZSA-N 487.557 0.929 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21)c1ccc(O)cc1 1791336418 YCBQPIJEKHCFOI-DKBNTXJOSA-N 471.554 0.932 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792630079 NOGYEBFJMAUILV-QEOTZNIISA-N 450.536 0.496 30 20 JCED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)C(=O)c1ccccc1 1793231072 HXAVPVMHJCHWKA-MYXNDMFLSA-N 472.542 0.877 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261471 OJOZRCLWMLAKFR-WEMPKCCASA-N 490.601 0.751 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O 1793366641 QOOJDLQAUASGRP-DFBDCSAJSA-N 487.619 0.726 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)c2ccccc2C1=O 1793862085 GMUCDXVCRRHIRO-FAQVEIGNSA-N 483.521 0.772 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1noc(C)n1 1794060640 JKVVHQHVARKPJL-FVSFCRNKSA-N 475.546 0.980 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598413 VQRRGXKIUSCLAE-MHORFTMASA-N 463.579 0.867 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796080371 LIHQLAZHUYGQLI-XEMDLRDOSA-N 479.555 0.339 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1797707499 OUVNYXLBBUBXAK-WTLGNFPFSA-N 465.572 0.403 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1797739062 RPKDFOFOAPTKCC-DSYYJXKUSA-N 470.574 0.593 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1797811450 OGEAKMWXGRPOAT-HHWFMCFWSA-N 471.514 0.699 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cn4[nH]cnc(=O)c4c2C)C3)c1 1798578459 QMCWUWHFIPNNMT-XEMDLRDOSA-N 476.493 0.728 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]1O2 1799152923 NOYHYJIXVWNRNO-MYNMMXSPSA-N 469.604 0.919 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12 1799189403 GYIZHGUQXMCTRL-NCBPZONUSA-N 454.487 0.870 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1800823998 RXDYTUOHONFSRR-QWCYLASJSA-N 469.538 0.761 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C 1802018346 DPXAVIXRQKBLOR-NOAPQPETSA-N 492.573 0.939 30 20 JCED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1803555460 JYUCELHNFSDIOF-OXQOHEQNSA-N 466.502 0.510 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1803916784 KOUVFPQKQBVOQB-GWWFFVKWSA-N 483.525 0.932 30 20 JCED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1805050903 WPVIVSDQNNVCKJ-DLBZAZTESA-N 475.615 0.947 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810291564 HYPHEGXEISCFCV-BKICRHHVSA-N 464.530 0.762 30 20 JCED O=C(CN(CCO)CCO)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1812715267 ZZQHRTDBMLWARB-RDGATRHJSA-N 450.539 0.426 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ncn4nc(N5CCOCC5)ccc34)sc2C1 1815916430 YOKXGFBIRSAYOQ-CYBMUJFWSA-N 495.521 0.336 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)c1 1816674339 XXBZHNJFBVDBST-VIFPVBQESA-N 450.444 0.008 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1819899833 AZPMPTKUETUTRM-UHQHMTGOSA-N 464.504 0.136 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)C/N=C/c4ccco4)sc3C2)CC1 1819951744 DMVXANJEBVPVKX-PDYUXYPTSA-N 472.571 0.931 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnnn3C)CCN2C(=O)OCc2ccccc2)C1 1828642196 RZMLXGIKUPGPHG-UQBPGWFLSA-N 494.552 0.919 30 20 JCED CN[C@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1)C(=O)O 1828988972 ACEYEDQLIKPUJF-XAEMIUIASA-N 492.598 0.820 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCN2C(=O)OCc1ccccc1 1829016763 FMKVTNSQMLWXSH-XMMPIXPASA-N 479.541 0.929 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1829461073 JMSLEMLVRYYXQD-NBGIEHNGSA-N 483.569 0.445 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCN(C(=O)OC(C)(C)C)CC4)C3)C2)C1 1829674947 HKRJTWSOYOLPLG-VWLOTQADSA-N 492.617 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1829766111 MCTPKNJNDWUJLB-FUMRIQNTSA-N 453.499 0.491 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cc3OC)C2)C1 1829773163 CFIYSVPFWTYDQC-FUMRIQNTSA-N 461.490 0.763 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)cc1 1829903411 SDNWQTLNAVUHDF-QHCPKHFHSA-N 456.499 0.399 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830676061 YONRBGFKJAXKOI-LXAKAXFHSA-N 471.554 0.907 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/C(=O)NCc4ccccc4)CCO3)C2)CC1 1830676663 YHLROSXDJOSOBG-JXSPYEIYSA-N 452.511 0.619 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1830884379 UYWLGOYVTLNROK-NXMSCROESA-N 499.605 0.292 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218566 XHWMYLLUMWPWPJ-QHCPKHFHSA-N 451.483 0.923 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831264339 STROJAZTCAJXCE-AOMKIAJQSA-N 468.551 0.048 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OCC)cc3)C2)C1 1831398475 COXKOMFTWHACFM-UUOWRZLLSA-N 458.511 0.972 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1831399222 RVJCPSWTLLRJLD-OYHNWAKOSA-N 474.539 0.234 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1831490551 CVFIXZAWDINRPD-NFBKMPQASA-N 476.599 0.751 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831609890 SBMRLZSLIACQQF-JLCFBVMHSA-N 454.487 0.016 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)CNCP(=O)(O)O)CC3)CC2)c1 1834666508 NHXXOWHDNCRPLI-UHFFFAOYSA-N 463.475 0.468 30 20 JCED COc1nccnc1C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834714698 LAHCHZQRSCLTOH-UHFFFAOYSA-N 457.579 0.952 30 20 JCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)n5[nH]cnc5n4)CC3)CC2)CCC1 1834798152 XGKDCPHJBFQNSS-UHFFFAOYSA-N 452.519 0.297 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1835118817 QIUYIUOJNAXZFU-JXTAAOLFSA-N 475.615 0.651 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)NCc4ccccc4)C3)C2)CC1 1835338580 MBRQJJLVPXUSSV-JXSPYEIYSA-N 452.511 0.619 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835406130 UOSPBSIVEDJIAD-QHCPKHFHSA-N 459.930 0.770 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C)nn4-c4cccc(=O)n4C)CCO3)C2)C1 1836259603 IAUSNDBMWDHKBU-VWLOTQADSA-N 481.553 0.916 30 20 JCED COCCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1836551032 BRRYRPIOCJWUFL-WWOVWOHCSA-N 462.551 0.071 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837117922 NYWDQIMFSQZQKG-LJQANCHMSA-N 483.525 0.534 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1837403584 OFDNFEMUECDTEE-AUSIDOKSSA-N 498.573 0.872 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837481250 FBWYDRJBRVBYQA-XKKIOBBBSA-N 459.551 0.205 30 20 JCED O=C1COc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)cc2N1 1837490916 GAGVVCIZPQPAAL-AREMUKBSSA-N 497.548 0.786 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1837528201 AXUQISQAMFLIOY-QWPYIFRSSA-N 490.513 0.452 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533092 KAAPKLFFSUJOTF-LJJIRUAOSA-N 486.525 0.922 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564261 DUJOZUMHADAGJB-MDQJKVKYSA-N 499.520 0.618 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c([N+](=O)[O-])cc1O 1838600123 STMQMUQZGCAFJJ-NRFANRHFSA-N 462.459 0.929 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1839173818 NLCIYSNJRGIYDP-HSZRJFAPSA-N 475.498 0.448 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1839174815 YAWFBGAIBILHPC-QFIPXVFZSA-N 457.487 0.309 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1839175002 IAKXKHYAPNJISB-RUZDIDTESA-N 487.553 0.982 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1839175058 MYZQKWVMJGVBQL-DEOSSOPVSA-N 487.509 0.597 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839185767 KQCJRJUNHNYAMY-JOCHJYFZSA-N 479.530 0.602 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1839421734 IJMHPVZAIMROGJ-QFIPXVFZSA-N 455.446 0.024 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1839421936 UKDMKDMAOWEAOS-QHCPKHFHSA-N 499.455 0.537 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc(Cl)cc1[N+](=O)[O-] 1839432529 NKGNRKJPDRLKRX-FQEVSTJZSA-N 465.846 0.715 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(N5CCN(C)CC5)CC4)C3)C2)c1 1839452908 CXDFPTBGTXKXMH-VWLOTQADSA-N 481.597 0.717 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)c1 1839453967 LUGMLQSQEWCNLC-OAQYLSRUSA-N 456.528 0.847 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C[C@H](N)c5cccnc5)C4)C3)c2c1 1839487803 HNQORDRTAHJYEM-NBGIEHNGSA-N 489.536 0.990 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839733790 FDHPOKZUQGBQJQ-KIEWMECHSA-N 454.527 0.338 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839872802 MCQXMQYMEOGJKY-LLJLJFOGSA-N 494.589 0.438 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839877267 PAKSWDYAUBHPDJ-XCLFUZPHSA-N 483.447 0.567 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1840143284 PNEDFZUZGBUUII-XWQURZDVSA-N 465.547 0.999 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840289807 NRSUUIKOTTYIOX-WAIKUNEKSA-N 478.546 0.919 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840488470 MOJQROYVDIHQSS-ZEBZWOGCSA-N 499.568 0.863 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1)NC(=O)OC(C)(C)C 1840795436 IHPRLIGHEUZYJI-HTAPYJJXSA-N 455.552 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1841055779 UQZCMUJNFPYYSL-FPLPWBNLSA-N 487.557 0.814 30 20 JCED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1)NC(=O)OC(C)(C)C 1844298466 SHHBHDXHGZPYBM-PKOBYXMFSA-N 466.579 0.700 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300125 NAYSYLRVFNWOHD-DWLLQQPHSA-N 467.567 0.961 30 20 JCED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc21 497595056 HXFZWPUOOAEGOT-UHFFFAOYSA-N 475.552 0.444 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)CSCC(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2)c1 535259844 CXCSPLAHWBVVFM-UHFFFAOYSA-N 490.593 0.951 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 589775051 XTACOOIVXURFOU-UHFFFAOYSA-N 484.622 0.978 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C(=O)c3ccsc3)CC2)CC1 603860304 URZFMZMCDHXOGN-UHFFFAOYSA-N 487.607 0.911 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccccc2I)C1=O 726043892 UYINTFNZGZOKRT-UHFFFAOYSA-N 471.207 0.750 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc(C)c1OC(F)F 727164151 MCTCRPXIJGELKQ-UHFFFAOYSA-N 468.507 0.704 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1 727671041 NTKROCSMUHLLLU-UHFFFAOYSA-N 452.496 0.698 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CC1 728533038 SNZXZCUNFYAFBS-UHFFFAOYSA-N 465.535 0.755 30 20 JCED CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2CCCN(C)S(C)(=O)=O)cn1 730725726 YERCZLHPTMYQIJ-OAHLLOKOSA-N 494.603 0.935 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1 916692953 JZSCYQITPSFAEI-JZJYNLBNSA-N 457.578 0.999 30 20 JCED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 916943794 YRVWYTHHRLONJZ-LJQANCHMSA-N 498.517 0.945 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CC(=O)N2CCc3ccccc32)CC1 917212175 UMHDCKMUBDREIX-UHFFFAOYSA-N 467.551 0.459 30 20 JCED C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1303696429 PDBVTQVXGRUTTM-FUHWJXTLSA-N 460.560 0.798 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1313669342 WDKPOTPXEFZCLT-IKGGRYGDSA-N 455.585 0.070 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1314642513 OSMQWPOAYVUIDF-LJQANCHMSA-N 453.547 0.975 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCC2CCOCC2)C1 1316357253 QBYVDVDTGMOMTQ-LPHOPBHVSA-N 456.544 0.870 30 20 JCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)cn1 1360717336 IYZBWRCYPLKJNV-INIZCTEOSA-N 456.528 0.614 30 20 JCED CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1515081784 YEHFBSLOYQNGTQ-KRWDZBQOSA-N 452.519 0.859 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCc1ccccc1 1541116575 QVOXFTNMVSIQFJ-IEBWSBKVSA-N 489.602 0.566 30 20 JCED N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1Br 1634021135 YWCOMSIZNSYYJW-UHFFFAOYSA-N 454.306 0.956 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CCO1 1696974973 YTSDTYOJHOSSGB-IBGZPJMESA-N 470.530 0.612 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1706095700 ORYCCLJSXBGBCB-KUHUBIRLSA-N 471.559 0.215 30 20 JCED C[C@H](CN1CCCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1706814730 DICBTBFKVOHCSJ-ZHALLVOQSA-N 464.640 0.797 30 20 JCED CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1710605880 VBXIHDYHQJZWAC-UHFFFAOYSA-N 490.586 0.740 30 20 JCED COC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC 1730459318 IMSRDALRNKNSQV-CVEARBPZSA-N 495.581 0.887 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC(C)C)CC1 1769368802 OWRXMCGQADHYNE-UHFFFAOYSA-N 461.592 0.913 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)CC1 1778115028 KWMRFOYSSYNZAC-QHCPKHFHSA-N 474.583 0.868 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382163 RGJCBZKMIJHEEZ-XMMPIXPASA-N 478.509 0.411 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778791601 IEIKKNQRBUXEOW-OYYQPBACSA-N 496.561 0.350 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778866579 HCQXUGVPTAICJW-NFBKMPQASA-N 455.515 0.833 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1778920486 ANRQFAIXVQZEFY-HXOBKFHXSA-N 493.561 0.926 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1779553660 JMDAKEQCTRREAE-MIZPHKNDSA-N 463.575 0.350 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC(F)F)c(O[C@@H]4CCOC4)c3)C2)C1 1780087181 JUDGLSQXZQBCFR-MWTRTKDXSA-N 494.447 0.987 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cn3c(nc2=O)SCC3)C1 1780543394 ZYGLVOMCFUQMDV-OPAMFIHVSA-N 459.572 0.955 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1781161438 KGUOJBCXJIKEGR-HKARXFIJSA-N 478.546 0.622 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783141612 FOOOLQKANQHZHB-JTSKRJEESA-N 452.552 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C[C@@H]21 1783531544 WINPYBYBAJYSFC-GRNXDFJHSA-N 458.471 0.752 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ccc(C(F)(F)F)cn3n1)CCO2 1783562111 CJFUKWICBDIBBY-SFHVURJKSA-N 451.361 0.280 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)Cc5ccc(C#N)cc5)[C@H]4C3)CC2)CC1 1783604855 MVDBRADFGKKNAE-VABKMULXSA-N 465.598 0.860 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1783682493 PAUBOLMKJWEKEH-XMMPIXPASA-N 475.542 0.698 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)CSc5nc[nH]n5)C4)C3)c2c1 1784392282 MFYYASACFCMOPX-HXUWFJFHSA-N 452.500 0.788 30 20 JCED O=C(CCC(=O)N1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784999839 GNVUPPUBLGLRBZ-DWCGZKKGSA-N 464.563 0.898 30 20 JCED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1788615124 ZLUUAIOYCYQDHE-ZVZYQTTQSA-N 469.571 0.512 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789881417 OWWAXKFNRMDDAM-CXQPBAHBSA-N 478.590 0.797 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)C[C@@H]32)cc(C(F)(F)F)c1 1790257516 NTHKTNPDXPDWQG-JQFCIGGWSA-N 493.442 0.722 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccccn3)[C@H]2C1 1790586602 VMURNXGFMXVELE-JPLJXNOCSA-N 472.542 0.689 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3cccc(Br)c3)C[C@@H]21 1791078970 PJCJADSGYWXKLX-FJXLLPKBSA-N 465.300 0.550 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791772019 JLLIYVFNKLODKS-XSLAGTTESA-N 485.603 0.317 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cn4c(nc2=O)SCC4)C3)cc1 1792423806 KNEZWOMMVTZFAX-JHDGKUDLSA-N 493.589 0.986 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 1792426099 DPFDYGPFNYZJPA-BANDYGIESA-N 469.538 0.676 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1792569243 DVFGZHVLPZIAPC-BEWOVKMTSA-N 476.574 0.853 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C2 1793354281 QBRKJMXWMBDOMQ-UJWQCDCRSA-N 467.563 0.803 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1794114034 RSDHDAGMKFXYOS-LORHWOILSA-N 458.519 0.678 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnncc2C(=O)O)C3)c(O)n1 1794492087 YHWCNPDCNARRAF-HBCWATKFSA-N 467.482 0.911 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](N)c1cccnc1 1795684491 JHGSKZLFVSTYPG-AIYVTKCESA-N 485.585 0.978 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1796299314 XERRHHKIFKFOKB-JTJHWIPRSA-N 472.542 0.576 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)C2 1797969363 XEAIJHGPWOXTBN-XAPVIXHLSA-N 472.542 0.700 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798595019 LWMHFWROTNTPGY-XEMDLRDOSA-N 471.514 0.865 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1 1798735175 NJSCQPRFWGSQDF-LOAAXEFPSA-N 476.530 0.840 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCNC(=O)OC(C)(C)C 1799260652 OIGQHJRUKOJSBD-XEMDLRDOSA-N 483.562 0.627 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[S@@](=O)c1ccccc1 1800209377 HGUOGTJFJMLKHH-FFFZYMEFSA-N 459.568 0.631 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801002960 NZWONOKXJMHENW-FVSFCRNKSA-N 483.562 0.661 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2)c1ccc(O)cc1 1801055458 XKISDMYFPMQJNT-AYMMHLMVSA-N 471.510 0.022 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1)C2 1802125049 NKCNZZKMEZFFHC-RCLSDMTESA-N 462.591 0.979 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nc(C)no1)C2 1802126662 LSXMUEVMAHQRQF-YYAJDYIMSA-N 461.519 0.427 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N(C)C(C)=O)C2 1802128090 YGYVUAIJXATLGL-GYFISPQKSA-N 464.563 0.359 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)C1 1804853895 XDBOUIMYAGLLRF-PLNGDYQASA-N 453.503 0.121 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1807147271 INXWIRJXIPGNFG-VQIMIIECSA-N 453.551 0.702 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)Cc2cscn2)[C@@H]1c1cccnc1 1808197883 CIRDHPYAYRSQNT-IBBFVQSDSA-N 468.583 0.972 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1808439216 JMYFQINRBAWLFI-BEFAXECRSA-N 480.485 0.037 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811181759 JVXGAERHEWWTDF-GLPQSPQZSA-N 463.498 0.149 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1812713841 CGBCWWGCTDNZTM-HYBUGGRVSA-N 481.553 0.568 30 20 JCED O=C1CN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC3(O)CCCCC3)[nH]n2)C(=O)N1 1815668031 OZMJPUXPRQVASN-MRXNPFEDSA-N 456.503 0.652 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1819840854 GIJDTKRTCSKYNJ-ZDUSSCGKSA-N 459.528 0.306 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2)CC3)c(C#N)c1 1822809962 NNTQQTFZIAGLJW-VKJFTORMSA-N 455.540 0.901 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807762 PTQVFRHTPDPGRJ-QHCPKHFHSA-N 486.598 0.836 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(C)=O)CCN2C(=O)OCc2ccccc2)C1 1829300875 OBCXQQNBSODNSC-KBMIEXCESA-N 484.553 0.613 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1830062822 FEAPRMWGKAMJPC-OAQYLSRUSA-N 467.519 0.849 30 20 JCED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830458014 ISDHTAPPRGEYCA-DEOSSOPVSA-N 456.543 0.816 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461539 OBAFHKDFRBTBKP-UUOWRZLLSA-N 454.527 0.638 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1830468896 XJKAAZVWHYGLIU-HSZRJFAPSA-N 480.912 0.899 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1830881102 UNHGPWVOSZVDJT-SBUREZEXSA-N 480.562 0.628 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1831401944 JZTBZLCTJWFBPY-MPCDZSKCSA-N 491.585 0.738 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831447478 SLYTVRWCVJOOOJ-QHCPKHFHSA-N 491.566 0.472 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCc4sccc4C3)CCO2)C1 1832586002 FKZDYZFSYFYKBK-FDDCHVKYSA-N 461.584 0.601 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cn1)CCO2 1834477779 ZCEYKXXIHGYGGQ-OBKNTDCBSA-N 450.467 0.820 30 20 JCED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835625916 GVSFSMDJYDDYBY-FWAUGURXSA-N 451.480 0.164 30 20 JCED COc1nccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1F 1835673980 CGPRVBOPIWBIHA-QFIPXVFZSA-N 463.510 0.581 30 20 JCED C[C@@H](Cc1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682932 YXTPIUKWGMNKMD-CYFREDJKSA-N 457.575 0.998 30 20 JCED N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccccn1 1835700837 AVXUDUPDTJTGCK-URXFXBBRSA-N 456.543 0.236 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)[nH]n3)CCO2)C1 1836282027 NYZMUXMUXCFJGB-KOSHJBKYSA-N 489.573 0.959 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1836680158 VOVWILIWEWDLDH-PXNSSMCTSA-N 481.590 0.909 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cc(C(F)(F)F)ccc3n1)CCO2 1836951733 ASALPCVUXHUTPR-FQEVSTJZSA-N 480.399 0.511 30 20 JCED CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(C)C 1837220804 DZXJCLLJUQLQJU-ZRDFPLCTSA-N 469.535 0.560 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837256394 MIBKJDQTDHQYGH-WEHRJKGCSA-N 468.510 0.228 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837296329 CCMYMLVDLDGITK-JTLGAQIJSA-N 485.541 0.649 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837382021 WGCFTBVRXZUFRW-MWTRTKDXSA-N 475.521 0.404 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1837404768 CBCNGPCEDCLALK-NLFFAJNJSA-N 490.553 0.882 30 20 JCED COc1nc(C)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443775 JEGYCSHIHIPVCM-NHMXVPMISA-N 459.547 0.940 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1837444306 XAYRQEJPZDKERM-SKZKPWFZSA-N 454.531 0.876 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531044 BESPSKUWWSKEBZ-KRYRLDPGSA-N 498.577 0.885 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1837531149 XKFVXVQSZABQED-FPHRNUPISA-N 471.514 0.933 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1OC 1837531484 NQGGGTMYVRUEKI-SIQMMJIHSA-N 492.529 0.698 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837532806 HDOGIUXNOSJMCS-DMYAPDPUSA-N 468.551 0.277 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837693513 UVPATKLZSIHRRQ-SBUREZEXSA-N 459.930 0.839 30 20 JCED COc1nc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1838175414 VWBDQMTYEQEFMP-FYGKWSDDSA-N 476.530 0.998 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CC1 1838733121 NXVAQWIWWCZBRU-PMAPCBKXSA-N 458.515 0.936 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044044 IQFXQYRDVGBJJH-UTKZUKDTSA-N 482.628 0.302 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(C#N)c1 1839132112 SPWCOSLJTVWLNM-VWLOTQADSA-N 483.569 0.848 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1839176528 TZLDZMGUUKUTAB-HSZRJFAPSA-N 456.499 0.914 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)nn1 1839362671 GVFHPCXGKIEVNW-QHCPKHFHSA-N 451.483 0.935 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485889 AXVGBPVSYDMCCJ-NYHFZMIOSA-N 489.554 0.185 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4c(F)cccc4n3)CCO2)C1 1839554837 KJZIIRXXIMTHPC-QHCPKHFHSA-N 472.521 0.825 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1839738946 LFDDOFYUQRPOSG-HXOBKFHXSA-N 460.531 0.655 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C1)C2 1839739331 YPZXPSUXTPJQOQ-CLOONOSVSA-N 484.553 0.492 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1)C(F)(F)F 1839893857 UAOQJUUYAPNZHM-LJQANCHMSA-N 453.421 0.847 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840009395 YXZBTHWWNKRNIE-MFEFFIJZSA-N 499.630 0.787 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1840059416 FQNDVCFROPPLHD-YUWJWYLASA-N 473.592 0.131 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)n(-c2cccc(=O)n2C)n1 1840160150 YBFDWHBBENTEAQ-ZHRRBRCNSA-N 475.571 0.268 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840168968 AUQKHBRFGVWQEQ-WZONZLPQSA-N 467.563 0.522 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1ccc(O)cc1 1840220933 KYZDOCNYKVFUIC-RHQSAMMMSA-N 471.554 0.068 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3nccnc3CN1C(=O)OC(C)(C)C)CCO2 1840366683 RLRWTAYBFPDIMH-DVECYGJZSA-N 485.541 0.228 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)NCc4ccco4)C3)C2)CCC1 1840814305 AGVDOELIUKOCHA-NVIZVJJSSA-N 456.499 0.602 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1841055213 GWNYLPNHSKXCAH-ZMJQMOPZSA-N 462.547 0.276 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844296820 DGETVEZGRJKSLW-IRLDBZIGSA-N 486.569 0.712 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cncn1)C2 1846365917 DBDLXWSKXQVFEH-INIZCTEOSA-N 491.549 0.287 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccccc1 517483609 GEZYHJCFAZJZRE-UHFFFAOYSA-N 481.603 0.366 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(C)C 592993216 NIUQVTZJYMZNGW-OAHLLOKOSA-N 484.557 0.940 30 20 JCED COc1cc([C@H](C#N)NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc(OC)c1OC 609008259 WCUQZOAHXFVKLW-KRWDZBQOSA-N 488.522 0.828 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1 616839748 MITPMWJRWLLOQV-UHFFFAOYSA-N 465.576 0.100 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CCOC 728039833 SDMADQAZNHFPJN-UHFFFAOYSA-N 471.457 0.720 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 890330743 CZYGEPQDANGEJK-CYBMUJFWSA-N 492.510 0.518 30 20 JCED CCOC(=O)NCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 915026392 YMMCSJYDHFQICJ-UHFFFAOYSA-N 452.489 0.071 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCS(=O)(=O)NC)CCOC1 1296673029 TWPDODMOWGSUOI-UGKGYDQZSA-N 490.586 0.929 30 20 JCED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1511971419 OAQIIMWEWMQVPT-CRAIPNDOSA-N 457.560 0.908 30 20 JCED CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1541765764 ZYSDGGVTMHDRMO-QHCPKHFHSA-N 488.614 0.913 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)c1 1610277227 JHTPTFGTGUWZMF-UHFFFAOYSA-N 455.540 0.297 30 20 JCED CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1620225062 YJTRTPHQZAHNIF-GJZGRUSLSA-N 456.594 0.625 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1692784353 VEQOYYZYVGENFM-QZTJIDSGSA-N 494.666 0.961 30 20 JCED CCCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1695444934 MCJKMLFHWAFVBP-OAHLLOKOSA-N 450.503 0.930 30 20 JCED C[C@H]1CCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1743118978 VDKRGQFGBVSABR-FUHWJXTLSA-N 451.597 0.835 30 20 JCED CCc1nn(C)c(OC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1744510132 ZEORVHIOOSUFPK-CYBMUJFWSA-N 450.569 0.981 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)[C@H](C)C1 1760619248 VHESEFNMXXWCJH-UZUQRXQVSA-N 453.547 0.852 30 20 JCED CC[S@](=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1768312362 XKGIWACZJLRJBK-DFYVNMARSA-N 466.589 0.693 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778753075 STKAPTCGEIKHDN-LRXVAGHRSA-N 471.620 0.763 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778938864 BNDNIGWBEZLDDS-HJPURHCSSA-N 475.546 0.389 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1cccs1 1779100152 SWXGDSDKOMNGEZ-CRESJJQNSA-N 464.544 0.837 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1779561923 WWRBXIAPQWRKPX-XZDHIHRUSA-N 472.542 0.602 30 20 JCED CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(C#N)c2Cl)C1)C(=O)C(=O)O 1780101070 SIHSSUYQAWJZBF-OPAMFIHVSA-N 476.917 0.882 30 20 JCED Cn1c(=O)c2c(CC(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CC#N)C4)csc2n(C)c1=O 1780539533 ZFUSYUXTCINIKL-IVZQSRNASA-N 473.555 0.269 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781200755 QOMVAEFONREDIQ-HTAPYJJXSA-N 453.536 0.396 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1781265572 QXFXSEJEDRRZBM-WNSKOXEYSA-N 474.514 0.332 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)cc1 1782785357 FXFRRVXCTXAVPM-HSZRJFAPSA-N 465.466 0.701 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782813005 VHQLAXICIBUMHB-RZPFDVGOSA-N 485.581 0.961 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783444041 POWWNFRQXUYTFR-XGAJZPNHSA-N 492.580 0.941 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(I)ccnc1F)CCO2 1783561913 PKLFVPBFLMTOOC-QGZVFWFLSA-N 487.225 0.357 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@H](C(=O)N1CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C1)C2 1783566141 ZEJCFNXUOHLOOH-SXTKOZQMSA-N 475.542 0.940 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cnnn3)C[C@@H]21 1784784518 PNYXZGBXJYAEKJ-TXTZMMAHSA-N 477.566 0.683 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC(N)=O)[C@H]2C1 1787405777 LKDJYVCJOWSNQS-TXTZMMAHSA-N 481.594 0.882 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N(C)C(C)=O)[C@H]2C1 1787518715 KXIHQFRDGMCUIB-XCZFOBESSA-N 478.590 0.750 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)[C@H]2C1 1788251522 IRABMDKYONZTIJ-JKQORVJESA-N 494.618 0.940 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(O)nnc4O)cc3)[C@H]2C1 1789272854 KNYMWFSERBZWAZ-CBVHJVASSA-N 471.514 0.863 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1789570768 SHCMYMLCPKHJPX-QNHTTWNFSA-N 455.540 0.954 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327453 HBQSVEBWELYJPG-BVPXEZJJSA-N 497.508 0.523 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790328245 IQYXKIWPMXJTHF-UYBBGVAXSA-N 462.510 0.886 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C[C@@H](F)C1 1791076962 SNSKLSAOXXOYBI-JCECYMMASA-N 481.521 0.649 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792110864 VIIHFZOKAZITAH-YVSFHVDLSA-N 467.567 0.494 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)nc4cccnn24)C3)cc1 1792424212 XHJALFMFEPTPAS-NHKMSHSESA-N 472.505 0.797 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1793252919 CQRDMGXUQFQNCR-BJWYYQGGSA-N 467.519 0.271 30 20 JCED O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793861275 MKWZZEYQJDXBCG-OVKTVULWSA-N 481.553 0.734 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1795598396 PGUZZGCOXBARRU-UPHUGPLXSA-N 466.542 0.651 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)c(C(F)(F)F)n1 1795994314 AMDVKJIOSFTRTM-CULMDFNYSA-N 478.435 0.508 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCNC(=O)C2)C3)c(C(F)(F)F)n1 1795996922 BDGAPCPUCYRXJB-JRATXPSKSA-N 465.432 0.701 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796961589 PLRYWKMWDVHBQD-YYIAUSFCSA-N 483.529 0.244 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccnn2)C3)ccc1Br 1799708567 YXNAPKJLOUOPFJ-JLVBRIDZSA-N 459.304 0.816 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2nccnc2CN1C(=O)OC(C)(C)C 1801275085 DAGJNXYSKZSULX-ZDUSMZPESA-N 455.515 0.361 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C1(C#N)CCC1)C2 1801985345 SEBJDLJYCHUKRX-BMFAXAFESA-N 469.542 0.906 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCC)NC(C)=O 1802039489 APRMQAMOILXNOP-UJMXGEILSA-N 478.590 0.797 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802282152 HCJNTSLYDIUGCP-YVSFHVDLSA-N 492.529 0.518 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807025789 MFBPGZDNGMWKEH-KYJSFNMBSA-N 455.452 0.613 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1807195199 BJLKEVNHURHHAT-DNVFCKCGSA-N 464.526 0.631 30 20 JCED C#CC(=O)N1CC[C@H](CNC(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1807333952 PEADTVKQBXZAEK-FOIQADDNSA-N 465.535 0.575 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1808434222 ZXCPBVVPEYANAW-OXJNMPFZSA-N 457.487 0.149 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812877882 BWNSGPXEYMIXDF-SQGPQFPESA-N 474.514 0.715 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1 1814436172 JFYWTOHNMJGXNI-MWWKQMNYSA-N 454.487 0.575 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCN2C(=O)OCc2ccccc2)C1 1829202227 DCBKMFYPEDVIFX-RLSLOFABSA-N 483.569 0.711 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1829266953 HYRNQOWSTJCPMA-XMMPIXPASA-N 463.494 0.329 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1829768904 KNYRJBMCYNIHQR-FUMRIQNTSA-N 491.566 0.392 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)nc1 1829901122 VKYNCQXMRAHVIQ-DEOSSOPVSA-N 498.561 0.669 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)cc1 1829903409 SDNWQTLNAVUHDF-HSZRJFAPSA-N 456.499 0.399 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)NCc1ccccc1 1830674085 FFCVSRSXQWTDEN-VMQHTIDMSA-N 451.523 0.729 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(Br)nc3)C2)C1 1831397004 NQRISZDYZICTNI-KKSFZXQISA-N 480.359 0.881 30 20 JCED CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1833144571 SPJAMRWSEMXSQP-UHFFFAOYSA-N 480.573 0.891 30 20 JCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1833149994 UMMRQXCSZLVEJZ-UHFFFAOYSA-N 451.618 0.968 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4cnnn4)C3)C2)c(O)n1 1833699597 FBYUVSDSAQLHJF-KSFYIVLOSA-N 471.518 0.224 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc5n(n4)CCNC5=O)CC3)CC2)c1 1834328740 KIHMSOXFVUYDGR-UHFFFAOYSA-N 475.553 0.997 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(C)=O)CCO2)C1 1834875086 MIPWEHYFIJPTFN-JPYJTQIMSA-N 465.547 0.729 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cccc4c3NC(=O)C4=O)CC2)CC1 1835623956 OVYYVIDIDKXDSV-UHFFFAOYSA-N 452.467 0.095 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1835754667 NXAQRVNZUTVIOA-IIBYNOLFSA-N 482.578 0.854 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835766049 VOTUBPPKQZXZLR-VWLOTQADSA-N 485.585 0.159 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3c(F)cccc13)CCO2 1837051907 OCVLVOYADMFJMP-KSEXMQBYSA-N 471.489 0.630 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1837396739 LLOVHQHRYYLMPM-NTKDMRAZSA-N 471.558 0.989 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1837444012 WHISQKOETKTXCS-VOVIXQRCSA-N 456.543 0.918 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837527380 LZZQOSXNWCGNDE-NGVCGSFOSA-N 469.926 0.522 30 20 JCED C=C(C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1)C(F)(F)F 1838023368 XZTXPJIGDXMWES-UHFFFAOYSA-N 469.424 0.543 30 20 JCED Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1838220873 QFZUBLURLVXKQP-QHCPKHFHSA-N 451.483 0.806 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCS(C)(=O)=O)C3)C2)c1 1838583574 IOFXRLVALXPJEV-OAQYLSRUSA-N 465.528 0.072 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1838584768 FXDZGTYLMVXQDE-DENIHFKCSA-N 477.539 0.214 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1839174277 QJVFZYUORXRZID-QFIPXVFZSA-N 495.554 0.065 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)c1 1839420674 WXVMJTKELTVOKL-NZQKXSOJSA-N 453.474 0.862 30 20 JCED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488049 USWXTSZGPBGBNJ-FOMLIJIXSA-N 454.531 0.878 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2ccnn2)CCO3)c1 1839709540 KRERWCCDFNYOCA-AOMKIAJQSA-N 454.487 0.490 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC)CCO2 1840076193 XDBHEVAMJPAAJG-GGUMNFRJSA-N 493.557 0.122 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840157021 BVUCYAREQVZKFO-XFQAVAEZSA-N 473.592 0.397 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c([N+](=O)[O-])c1 1840163273 FOZWAONNAHBXQS-ZUOKHONESA-N 467.500 0.770 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840772711 KUDFSZSGFDENRB-OPAMFIHVSA-N 484.546 0.890 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C)C2)C1 1840909093 MPBIWXTYSBHUDP-HOYKHHGWSA-N 487.557 0.772 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCCS2(=O)=O)C1 1845915926 WKLFWGRUIUMRBU-HZPDHXFCSA-N 453.561 0.684 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OCCOC)cc3)c(=O)n2C)CC1 501177024 UXUIFPSEIDOTCS-UHFFFAOYSA-N 456.568 0.139 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(OC)nc1 521663952 RRPYXHUCTWQTQP-UHFFFAOYSA-N 472.473 0.846 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cccc(C)c3)c2=O)cn1 522386383 QGJBXJBMKNKZAQ-UHFFFAOYSA-N 492.605 0.375 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCOCC 523464628 PXEFWXSOUCHSPR-UHFFFAOYSA-N 463.581 0.379 30 20 JCED COc1c(Cl)cc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c1=O 608910824 PRXJRAQGZLOAQN-UHFFFAOYSA-N 469.350 0.738 30 20 JCED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)CC1 609076822 VIFZWZZCYWSEBL-UHFFFAOYSA-N 473.555 0.980 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)c1 753658849 QHWRHJORGRKGQN-QHCPKHFHSA-N 498.517 0.643 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)Cc1ccccc1 1286969946 STKHTCUOKPWIFR-IEBWSBKVSA-N 489.602 0.865 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CS(C)(=O)=O)CC1 1301968874 RBLNKXJHQNVFMB-LSDHHAIUSA-N 474.609 0.032 30 20 JCED Cc1c(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)cnn1C 1542091613 SJNSYOQDGXIJCF-UHFFFAOYSA-N 458.548 0.956 30 20 JCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)CCO1 1555993169 JTZVXAVZSGKBQA-SJORKVTESA-N 450.565 0.702 30 20 JCED CCN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)S(C)(=O)=O 1728495664 FOWDDZKZYAQBJP-INIZCTEOSA-N 472.637 0.982 30 20 JCED COCCN1C[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1=O 1769885282 YKIPKHYZSKCTJY-ROUUACIJSA-N 464.592 0.805 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778114740 NVUHKNRSMHTEHG-NRFANRHFSA-N 457.593 0.471 30 20 JCED CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CCO3)CC1 1778260888 PAYAQWXJVCQNER-NRFANRHFSA-N 480.491 0.663 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1779365129 MDDYYPOOUJUOTN-KFPCXCPGSA-N 481.644 0.832 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779940217 GQRLHNAAXSMJEO-HOYKHHGWSA-N 478.509 0.654 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780935212 ODMNJYXAGPUWHX-XMMPIXPASA-N 464.547 0.773 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1781165564 NNMIWDHYWUXEIN-FDDCHVKYSA-N 474.562 0.805 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781362121 JUPPDKLPPSVGNN-SAHWJRBASA-N 464.563 0.907 30 20 JCED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1783172040 VDPHSKFRBJVWMQ-PMECCGAFSA-N 476.599 0.094 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC[C@]4(CN(C(=O)CCC#N)CCO4)C3)=NO2)C1 1783455301 LBKOSCVZIPPHFW-NRFANRHFSA-N 461.519 0.886 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557826 LXQZEMXSHDOQBU-QMHKHESXSA-N 461.515 0.694 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3ccc(Br)cc3n1)CCO2 1783565307 RATBRVKDHRLCID-LJQANCHMSA-N 461.272 0.628 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1)n1cnnn1 1783782267 SBSRGTSPJXHCLC-PDSXEYIOSA-N 497.622 0.666 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1784011652 NLBQKWULQXPWMG-GOTSBHOMSA-N 473.530 0.702 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1784503356 XXMMVPKQTZLSCG-FHIRATQRSA-N 452.533 0.023 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1785515203 KEVCMRLXXDELFG-QRQCRPRQSA-N 464.519 0.576 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1785574599 NOSGOJTXRFINFY-MBSDFSHPSA-N 459.547 0.938 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)C[C@H]3C=C)C2)C1 1785596080 KFBNIAOYLIAFQH-SMGXNKOPSA-N 476.574 0.976 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]4C3)c(C)n2n1 1786858400 MUIZSSXZUMKXDH-BZSNNMDCSA-N 468.562 0.616 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)N(C)C(C)=O)[C@H]3C2)c(C#N)c1 1787518880 MEZGAFFOPGVAJM-UYIIBVGGSA-N 456.543 0.956 30 20 JCED CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788653124 VESSRUIBXXFOJM-UNENTNPFSA-N 452.537 0.702 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789842010 PLPVSPWDCACFGE-KNTRFNDTSA-N 457.531 0.536 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]31)C2 1792275673 HYUSYTZVBOBSHF-VIUKOLAESA-N 475.542 0.842 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C3)C1 1792444294 FVTZVHSBJVQFKK-RMFSNUHRSA-N 476.574 0.622 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1793354271 PCXOAXANPCEZGL-UYTYNIKBSA-N 455.552 0.443 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C(F)(F)F)n1 1794003685 SHLFMQJUSLXZNU-DPIQGUFMSA-N 493.402 0.980 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C)c1C 1794894020 HBEVKILAHIYEHY-UKBAYJJMSA-N 459.547 0.848 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 1798694299 YZKOSTMTZSNCOE-MGGVOPSTSA-N 473.530 0.317 30 20 JCED C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C)C2 1800754247 KZKIJOMGFJVBNN-DRYZZIBHSA-N 486.569 0.964 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2 1800990367 OAXPNWAQWWSBIL-XVAUXIKLSA-N 477.583 0.666 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801440253 XWBDTCOIMWAMOY-AVEIZBFRSA-N 477.566 0.683 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cccc(=O)n2O)[C@H]1c1cccnc1 1802476327 HOFBXBZISMQPTR-IHANMSTJSA-N 451.483 0.659 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1810331815 ONHNUEKGZAZMLP-ZJSXRUAMSA-N 472.586 0.073 30 20 JCED CN1CCCn2nc(C(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cc2C1 1812288343 XERWVULDODBOCC-HTAPYJJXSA-N 450.499 0.521 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812391110 NZKDQYSIKVXCPA-GHTZIAJQSA-N 470.526 0.329 30 20 JCED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1812583813 AUNQJWFIKJAPHJ-XKGZKEIXSA-N 493.568 0.747 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812872029 APLSQTDPTKCOIE-BWPZPKMVSA-N 478.505 0.355 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)[C@@H]1c1cccnc1 1812881237 XBUHBGGXHYZTOT-MHOPESGUSA-N 476.533 0.811 30 20 JCED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1815213479 XJTAZGQCDDRPBV-WBVHZDCISA-N 453.565 0.723 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCN2C(=O)OCc1ccccc1 1828506059 WEJQGFGUZTYMFQ-KBMIEXCESA-N 496.520 0.053 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCN2C(=O)OCc1ccccc1 1828984007 XNTBJTBRYCYRCT-VWLOTQADSA-N 480.569 0.692 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1829263374 YCPVZMYXZZSRGW-SWWFSWNPSA-N 497.577 0.874 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829488495 HRSWRGDJYSLVGA-HXUWFJFHSA-N 451.432 0.767 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1829769510 XAERKKQGYSOJHW-VRWDYKOXSA-N 470.501 0.555 30 20 JCED CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1830531853 RLWWUSZMSGVSQJ-XCGNWRKASA-N 489.635 0.815 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(COC)CC1)CCO2 1831386031 OQCFMRRCJBSHAS-MHECFPHRSA-N 479.574 0.786 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1831398585 HKDVNZKKRLCYIG-MWTRTKDXSA-N 459.499 0.459 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1832000828 ZBTVIGLBLGEZGY-FDDCHVKYSA-N 492.577 0.594 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cccc3ccccc13)CCO2 1832448334 VEUCCUBPBLRVMA-DEOSSOPVSA-N 452.463 0.763 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1832455932 CLZZPSFNBVUWLE-HXUWFJFHSA-N 452.533 0.088 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835345080 BJTDNTSORNBPTP-QMHKHESXSA-N 458.490 0.704 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1835798084 OSTPTNBZPPZUFI-KRWDZBQOSA-N 467.574 0.860 30 20 JCED CCOc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cnc2c1cnn2C 1836377530 BCHZODAAUCBQPM-HSZRJFAPSA-N 470.530 0.987 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cn4cccnc4n2)CCO3)c1 1836893341 NBGPQUJVTLJXMS-DEOSSOPVSA-N 476.493 0.993 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836977424 ILIJLTCKJQHPKP-ZRINGLHMSA-N 475.546 0.818 30 20 JCED O=C1NC(=O)[C@@H](CC(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)N1 1837115529 KEHVEVYIOYJFAM-PNYYXPLCSA-N 479.534 0.112 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C(C)C 1837227517 UHDDLMWBCKWSGW-VWNXMTODSA-N 473.526 0.981 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C1)CCC2 1837446284 GFRGFMFNFSXBLZ-NHMXVPMISA-N 458.563 0.451 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1837446988 SLSKOIYWRIFJMP-FZUFRQSMSA-N 455.559 0.951 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)no1 1837529437 UPWDBRJHGREDJN-BPHSFESTSA-N 493.517 0.297 30 20 JCED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(=O)n5[nH]nnc5n4)CC3)CC2)c1 1838022941 AYIMBHPDDWICGG-UHFFFAOYSA-N 476.497 0.610 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2)c1cccs1 1838635507 KCMOTLUCEWAZPY-YEFOHOTDSA-N 458.496 0.341 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCN(C)C4)C3)C2)c(C#N)c1 1839132350 CYYPXZYFGKPQSS-NLFFAJNJSA-N 470.570 0.908 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138958 SLVFAYYMMAYCOT-FDDCHVKYSA-N 485.578 0.575 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1839185729 JPBFAGAFSCLLHJ-NTKDMRAZSA-N 480.606 0.864 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186071 YRHCNQLBBYTEPN-NFBKMPQASA-N 460.506 0.611 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839209589 ZJHOTKQGXZNASJ-MBSDFSHPSA-N 465.547 0.132 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1839226089 DOPRUHBQSUNIQB-UGKGYDQZSA-N 465.595 0.024 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839228676 LPCCCKQVWVBDMO-PABYOWBDSA-N 465.547 0.999 30 20 JCED CN1N=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)CCC1=O 1839361372 GJOIQYPAOUYYMT-HSZRJFAPSA-N 453.499 0.431 30 20 JCED COCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488348 MSVLHFFTIZMAQV-HSZRJFAPSA-N 480.481 0.953 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)COCCOCCOCc3ccccc3)C2)C1 1839810655 KLLGFCNVKZANCM-XMMPIXPASA-N 460.527 0.326 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839860422 VCWZVHRIZFIWTQ-FDDCHVKYSA-N 482.578 0.438 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1840076627 WYLZQLGEZNFHDA-PZJWPPBQSA-N 462.609 0.467 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)CCO2)C1 1840344597 LBVDQGIBMXOQKV-ULYRPOKDSA-N 497.618 0.620 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Oc1cccnc1)CCO2 1840449382 CVFNGFTWJXBWNV-NBBDWSPISA-N 458.515 0.164 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1840480067 MNNBDCGCFXRTTC-NRYAXDJKSA-N 482.541 0.593 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1840814823 IEXJUAPMCNYZSO-NXMSCROESA-N 492.573 0.364 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840904098 YJJBEFZXLCQAKC-DVECYGJZSA-N 457.527 0.220 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1nccnc1C(N)=O)C2 1841747355 OCQPVLDBCDGNBZ-AWEZNQCLSA-N 458.519 0.862 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)N2)C1 1842798092 GPMFMHMFQPNQBQ-CVEARBPZSA-N 493.561 0.274 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843415220 ZGFUDKOKEFUSBP-KRWDZBQOSA-N 482.603 0.532 30 20 JCED CN(CC(=O)N1CC2(CCCN2C(=O)c2ccc(Br)c(C#N)c2)C1)C(=O)C(=O)O 1845458864 CTBFPSAKLFNKHQ-UHFFFAOYSA-N 463.288 0.681 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1847070589 ZCVKVRZAEZWWNP-DLBZAZTESA-N 484.557 0.715 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1847080991 AXYAAHJIKUKJAC-JLCFBVMHSA-N 461.519 0.211 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc12 12427637 VWCZCEFPEZWKMK-UHFFFAOYSA-N 453.484 0.185 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2F)c1=O 514913781 NGTXERIMUMVPQY-UHFFFAOYSA-N 490.626 0.753 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3)c2=O)cs1 516830096 FCIMEMJPZGPYHC-UHFFFAOYSA-N 495.630 0.869 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)c(F)c2)c1=O 523733224 IXYIOQCGJIFWFV-AWEZNQCLSA-N 463.531 0.748 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 603590370 DBSZEGCZPJVSKO-UHFFFAOYSA-N 486.554 0.870 30 20 JCED CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 603907632 YJZOFXZXRVFIRC-UHFFFAOYSA-N 450.542 0.745 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 608828185 JCEAYMOSZZKSMV-KSSFIOAISA-N 492.557 0.980 30 20 JCED CN(CC(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1)S(=O)(=O)c1ccc(C#N)cc1 608850267 QYOMQJRWVAJXLV-UHFFFAOYSA-N 459.532 0.812 30 20 JCED C#CCNC(=O)CN1CCN(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 728572325 ANJOCXDHDOFYPA-UHFFFAOYSA-N 461.588 0.167 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CCS(C)(=O)=O 731204911 VERNLJQHDQKSKQ-UHFFFAOYSA-N 453.611 0.608 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(C)c(F)c1 731214485 QHBIFBAHCOUPMZ-UHFFFAOYSA-N 469.542 0.963 30 20 JCED CCS(=O)(=O)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 748084033 HJJXHEXEIDAOMJ-UHFFFAOYSA-N 462.532 0.422 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)c1 820844686 LSDPROXLWMFCMG-MRXNPFEDSA-N 459.528 0.835 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)N(CC#N)c2ccccc2)c1 916531663 GWXAXJKBPHTNKH-UHFFFAOYSA-N 458.496 0.767 30 20 JCED Cn1c(CCC(=O)[C@H](C#N)C(=O)NC2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 916926932 HBLALCOGBAXUIH-INIZCTEOSA-N 459.528 0.514 30 20 JCED CC(=O)NCC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918274998 YWNOZOCMAUICFR-LYBHJNIJSA-N 463.560 0.813 30 20 JCED COCCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2cscn2)c1=O 918729894 RGBYRMHYHDXVNM-UHFFFAOYSA-N 470.532 0.926 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286630278 RLTSHJYJRDVMIL-CABCVRRESA-N 457.000 0.722 30 20 JCED CCN1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1296120767 KTKHAQAGCAWRFA-DLBZAZTESA-N 452.629 0.654 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314543952 KUOPNKXPSMRUFV-AEFFLSMTSA-N 451.597 0.630 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359084544 LBVQZBBRCFTKLK-LSDHHAIUSA-N 488.408 0.916 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)C1 1519530623 PCKFXAPPRKKTFM-AUUYWEPGSA-N 462.511 0.649 30 20 JCED CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1545535579 KPUXPCBAJPWPHR-HRAATJIYSA-N 459.576 0.934 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1617314760 YNOHXYUWQYJADJ-UHFFFAOYSA-N 471.587 0.652 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(=O)C1 1634584807 UULYAIASYKBVCY-GOSISDBHSA-N 455.515 0.855 30 20 JCED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCO[C@@H](C#N)C1 1641707368 LCNYHSSJLVOSMC-INIZCTEOSA-N 452.533 0.658 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 1696876269 LXOLPWSBOJXOMA-QFIPXVFZSA-N 473.603 0.744 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1706935839 ZNEPQJNZVYNBEI-GPMSIDNRSA-N 470.621 0.734 30 20 JCED COC(=O)N1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CC1 1729788578 VHOMZPVNKORSCA-WBVHZDCISA-N 483.595 0.828 30 20 JCED C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1741136226 LQUKCDHIIHACIN-KRWDZBQOSA-N 480.573 0.606 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(N2CCOCC2)CCSC1 1741920036 WXLIAZBNNIZOQP-UZLBHIALSA-N 483.664 0.836 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778781716 PEJCIOACVFTVMI-WJONJSRFSA-N 484.550 0.350 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)C1 1778970770 DWWJTCPCNFPPOO-NTKDMRAZSA-N 456.543 0.743 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1779066100 BDSASUMMJHKVEH-LJQANCHMSA-N 455.437 0.966 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134023 ANKODQHEPRWYNS-YVABFXQFSA-N 474.539 0.782 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ncccn3n1)C2 1779444723 SPSCDHPORLLCBE-LWRJRLFPSA-N 451.487 0.964 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2C[C@H](O)CN2)C3)c(C#N)c1 1780688461 RTIOYPPTAFQCEG-IKQBDLNTSA-N 456.543 0.346 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)c(C#N)c1 1781173752 CHHWVMZBAMZLTK-QFIPXVFZSA-N 468.470 0.744 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963587 JUVREQRVOXSZFX-KNQAVFIVSA-N 461.446 0.636 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)CC1 1782010822 GKEYKGQOWLKNMS-UZUQRXQVSA-N 493.557 0.350 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1)C(C)(C)S 1783781275 GBFZDFXVEATNPP-XSSDXNQZSA-N 498.646 0.944 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784576135 VRZKZUFCTZMJOO-KSWRQPAISA-N 466.535 0.544 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784747038 NTLCRUCTXVXEBH-MBSDFSHPSA-N 499.630 0.948 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1786574575 WKFIUINZEFCIBB-VMXHOPILSA-N 476.574 0.810 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]2C1 1788531018 LPRPQGZDEAAKNX-IHRRRGAJSA-N 450.410 0.581 30 20 JCED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)CC1 1788658853 ZIOMPOACYNEQIE-CZXFOHMLSA-N 465.595 0.133 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(O)nnc4O)cc3)[C@H]2C1 1789272513 PQHLIRVEEWMWIF-WDSOQIARSA-N 497.556 0.554 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21)N1CCN(C)CC1 1789798301 RRHLXYAEWORWQS-QGQQZZQASA-N 453.587 0.982 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCCOC4=O)cc3)C[C@@H]21 1791078268 RBAKAPACLNRHBU-WDSOQIARSA-N 455.467 0.715 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1OCC1CC1)C2 1792484188 HCXMITOTMGVYSV-SWFHQTGMSA-N 454.527 0.932 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793729247 GPTZTLPEQKCCSS-YWVHXVHDSA-N 469.388 0.460 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCS(=O)(=O)CC2)c1 1793837508 JPIVBEAQLWMDBB-IBHRTIHJSA-N 474.583 0.247 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C 1795465370 OUXHSHMHNXACTQ-YYIAUSFCSA-N 452.552 0.524 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798636876 MIIWEOLPDNPRLT-LOAAXEFPSA-N 473.530 0.443 30 20 JCED CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1ccccc1 1799236103 FXGSYIKHHAMXII-WEMPKCCASA-N 485.537 0.973 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800521751 NOOOTPLRAUKGPB-KCYAQADSSA-N 450.536 0.182 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC(F)(F)C1 1800778119 BHIQPYGPXVAQBE-AFIMGQEJSA-N 485.484 0.556 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1800806904 PHADZXBHQPOFNY-BPKGMFCQSA-N 450.536 0.496 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800990814 ZUZZGYHLZMGKEM-SBJFKYEJSA-N 459.565 0.351 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cncn1 1801363471 LEESCBVZALXEOR-DFBDCSAJSA-N 460.535 0.345 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cnccn1 1801448313 HFXMALNJQOAKPB-CKXPZSRYSA-N 469.542 0.996 30 20 JCED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1811894414 WQVVLVRWRNQGHY-GGAORHGYSA-N 451.527 0.559 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1812716936 JMERENWVJRCYJZ-QPPBQGQZSA-N 465.554 0.868 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1824108208 CVFZCRRXAQFBSD-SJORKVTESA-N 451.520 0.580 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)cc3OC)C2)C1 1829773487 LDJBUMSJQSJAIB-IBLIISRWSA-N 457.527 0.932 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C1 1829776424 APUYPRQSCVCUJU-UTKZUKDTSA-N 459.609 0.763 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830677791 UFEDJOGQPNESEU-ZMXFDXOUSA-N 499.564 0.825 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1831393934 SHRZKGLPTYAXMJ-CJFMBICVSA-N 471.554 0.632 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1831412275 JEPWQOBUSNLZIU-CYFREDJKSA-N 499.605 0.701 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1831418755 GPAIUDLCZTYOBY-AXHZCLLHSA-N 497.589 0.670 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833599045 AHEUOTACJFYBDW-HRAATJIYSA-N 451.545 0.767 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c(O)n1 1833699917 HRSINYBDEDCNEX-HSZRJFAPSA-N 472.498 0.770 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835362499 MIOJSICLIXGKDB-PDIWNELESA-N 480.562 0.507 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 1835453697 IGULOJPMGDFTOA-IBGZPJMESA-N 450.580 0.973 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CN)CCO2)C1 1835531495 QFVFOEBZOFTBDM-ZJCBTPCYSA-N 488.585 0.909 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1835674770 MOFBCJKHRHTQRK-QFIPXVFZSA-N 487.586 0.625 30 20 JCED COC(=O)CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682612 MQXVVJJJNPNYBZ-QHCPKHFHSA-N 466.579 0.848 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)c1 1835998389 YJLOEIWCBGNRCZ-DEOSSOPVSA-N 450.495 0.799 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1836526477 UYNJBCWBOMFCFQ-VWLOTQADSA-N 496.568 0.518 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1837432536 GAZFCPALBZYBHM-OAQYLSRUSA-N 472.680 0.929 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530195 JVTZXIVFVWJIEJ-ANGWPBNBSA-N 468.595 0.950 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837677693 BENZSAYNNOMSQT-VOIUYBSRSA-N 482.541 0.809 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](COC)NC(C)=O)CCO3)c(O)n1 1837727731 RVUDKBLQAFDFNK-YKSBVNFPSA-N 490.557 0.127 30 20 JCED O=C(O)c1cnncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837943538 MHYRVCFFGWWTHW-HSZRJFAPSA-N 484.896 0.950 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3C(F)(F)F)CCO2)C1 1837957957 SJJGKODWKOVGCO-IFXJQAMLSA-N 458.437 0.547 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)C1 1838027794 NUQAREWMKNAORV-XMMPIXPASA-N 481.557 0.824 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)c1 1838906200 YGMIOKSRVBXFHC-SIKLNZKXSA-N 455.540 0.655 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839174875 BKXGMTGTAVFSBJ-KHLOOKIASA-N 467.519 0.481 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1839175237 WJKKKACXLHOUFQ-QFIPXVFZSA-N 457.487 0.309 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839513053 VCMZYIKHTTXGML-HJPURHCSSA-N 456.499 0.997 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H](F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1839808427 RDILWTPOWXFJPH-PNLZDCPESA-N 453.511 0.671 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1839898393 XIBMHWAEXKETSP-JOCHJYFZSA-N 467.482 0.458 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1840108260 JPBJCRQHDPVDLC-YZZKKUAISA-N 467.563 0.949 30 20 JCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)C1 1840145539 JSTDCDKJAQPJNM-IECBHUPTSA-N 478.590 0.704 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCn2cncn2)CCO3)c1 1840355121 AHKVELPJCXFTEI-QHCPKHFHSA-N 452.515 0.629 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840362801 BKLMOPSBCFFGCB-HYNUZKETSA-N 458.563 0.443 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2)C1 1840840581 FLGPYHIEJJRXHE-WKLFCCHUSA-N 499.630 0.518 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2nc3c(Br)cc(F)cn3n2)C1 1845725633 CASJNLHJWOBRLT-UHFFFAOYSA-N 450.224 0.536 30 20 JCED N#Cc1cnc2ccccc2c1N1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 501120925 LAVFPKJAUSVPCK-INIZCTEOSA-N 456.528 0.241 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)n(C2CC2)c1=O 502048436 YHSCNZQNFXUKOR-UHFFFAOYSA-N 460.563 0.830 30 20 JCED Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccn3)c2=O)c1 520988148 XVCGTMYWXQASML-UHFFFAOYSA-N 493.564 0.693 30 20 JCED C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 522537925 STOMGOFVLLXJMS-QRWLVFNGSA-N 490.589 0.929 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3cnn(CC)c3)c2=O)c1 523180658 BEUGJMFDOCSWAY-UHFFFAOYSA-N 467.551 0.780 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC(F)F)c(C)c2)c(=O)n1CC(N)=O 524281055 DKAQDQHXICTCBV-UHFFFAOYSA-N 464.494 0.643 30 20 JCED C=CCN(C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)[C@@H](C)c1cccc(-n2cnnn2)c1 596103649 HHWCSDGEHBOILC-AWEZNQCLSA-N 483.510 0.993 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608829017 WTMFQKSPUPUCQW-UHFFFAOYSA-N 494.598 0.719 30 20 JCED N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 608911392 DETSIQZSNHLOJR-UHFFFAOYSA-N 452.423 0.828 30 20 JCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCNS(C)(=O)=O 608912111 DJFCHULDVUBENQ-UHFFFAOYSA-N 492.579 0.876 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)O)c2)cc1 621592762 SNWCMCJGESDJKC-UHFFFAOYSA-N 453.498 0.766 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 728530846 VXWJAJXAVCNULB-UHFFFAOYSA-N 456.240 0.707 30 20 JCED Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 750521561 PSNXGLGLOBDOAB-UHFFFAOYSA-N 499.505 0.397 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 769634681 UIALTLKSERIYNW-GOSISDBHSA-N 489.531 0.724 30 20 JCED COc1ccc(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 769639856 AIIBOVLNIOUHMF-UHFFFAOYSA-N 472.523 0.737 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(S(C)(=O)=O)ccc3F)CC2)o1 919623878 LTQIKXYUPBLAKA-UHFFFAOYSA-N 450.448 0.903 30 20 JCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c2)CC1 919994067 LWEPPNFDISGAHR-UHFFFAOYSA-N 491.595 0.690 30 20 JCED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCSCC3)C2=O)cc1 1226882137 RHNDXIBOZHZZOE-KRWDZBQOSA-N 451.574 0.337 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1303412612 ZTNYCLVBUFPMDJ-SFHVURJKSA-N 455.519 0.660 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1303473466 ZCABMZUEMOGYRA-HNNXBMFYSA-N 458.610 0.638 30 20 JCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1314636857 NOYNBVUDTMRHGX-UHFFFAOYSA-N 480.573 0.608 30 20 JCED CCN1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1515851158 HZUJODOTZJONMP-JQHSSLGASA-N 450.613 0.549 30 20 JCED CCCNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1547245261 MMGKDAFBUOFBGV-UHFFFAOYSA-N 465.562 0.910 30 20 JCED N#Cc1ccc(Br)c(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 1642102370 NXCZGIPELOLMKY-INIZCTEOSA-N 455.378 0.742 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCOCC2)CC1 1691005312 ZCDHKTOABZDTAK-IAGOWNOFSA-N 467.596 0.072 30 20 JCED COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1F 1697453937 NNXZLMZQVPJJFK-QAPCUYQASA-N 480.522 0.536 30 20 JCED CNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1711402746 WSQADOUEOQEXAD-QGZVFWFLSA-N 461.548 0.255 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1712704794 STACXWHLMCWXFU-UHFFFAOYSA-N 460.560 0.830 30 20 JCED CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1=O 1741569311 ZOMILAOOZQBRIN-UHFFFAOYSA-N 475.575 0.583 30 20 JCED CCN(CCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)S(C)(=O)=O 1766875380 RNOWXQKJTFEWLW-GOSISDBHSA-N 478.623 0.249 30 20 JCED N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N2CCOCC2)C1 1771530604 OVRSKWWBAFQTLC-HXUWFJFHSA-N 461.523 0.960 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1cccnc1 1779099605 IVHCSSOASKYULR-UKPRUQCOSA-N 459.503 0.170 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780202662 XMXNTBJGOMQDLG-RZZUAFPKSA-N 483.529 0.594 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Br)c(O)cc3F)C2)C1 1780209046 LBECZDTWXGXBRQ-SFHVURJKSA-N 455.236 0.825 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1780802657 XVLOAZNEUQDUPM-CMPZQBNXSA-N 459.507 0.346 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)C(C)(C)S 1781049521 OVJADHPJCOWTQS-LMGVVVSRSA-N 486.635 0.141 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1781309911 CGXCPDHPYZSPPM-IMWIBFENSA-N 486.525 0.796 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1781400411 LQOIEKBTEHUAPD-DJJJIMSYSA-N 453.521 0.083 30 20 JCED CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C#N)cc1Cl)C2)C(=O)C(=O)O 1781543523 SZTYJJGDYLQPAP-VGOFRKELSA-N 476.917 0.882 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)c1ccc(O)cc1 1782751874 BTRSELYTSOJFPM-KOSHJBKYSA-N 471.510 0.262 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)n4)C[C@@H]32)cc1 1783441489 WGTLHPIHMBSHDP-LNLFQRSKSA-N 451.483 0.986 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)[C@@H](O)C1 1783478905 VEQUBYKZYBJFKJ-PJVZLEMVSA-N 464.563 0.888 30 20 JCED CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567204 IMIUZUMIUXXQML-KSFYIVLOSA-N 451.520 0.701 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1783682459 NJNLUENJMDDOFK-XMMPIXPASA-N 475.542 0.698 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)CCO2 1783889400 IPKWTIDDJCDLFD-PDSXEYIOSA-N 486.639 0.291 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)CCO2 1783889410 IPKWTIDDJCDLFD-VTJXTGGHSA-N 486.639 0.291 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C[C@@H]21 1784501499 UEIZOBRBSLKXBK-FKSLSLAPSA-N 468.595 0.799 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCN(Cc4ccccc4)C3)[C@H]2C1 1784941162 KEXBIZQNDQDYOE-CMOCDZPBSA-N 453.539 0.966 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1788095655 SVZJOJCOADOKCF-JCECYMMASA-N 450.536 0.498 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1)c1ccccc1 1788651959 RLEASZJLAQDPEE-CTVYPFPQSA-N 469.582 0.814 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)n1ccccc1=O 1788746064 KOPRBSVZMSGDQJ-FSHIGZNYSA-N 460.531 0.918 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4nc(N)n[nH]4)C[C@@H]32)c1 1789258329 DRNVSDJOTFTARH-WBAXXEDZSA-N 453.503 0.493 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1789808580 FHXTXGPOTLHQMZ-GTYQWKCWSA-N 495.617 0.767 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)C1 1791330075 RAWYYVDQYYJLDN-DSFVOBFGSA-N 462.547 0.642 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)OC)C[C@@H]21 1792258879 RZEVMVANONMEGU-QAETUUGQSA-N 466.535 0.239 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1792563108 KYNCWADVDBOQEP-DYAUPYOGSA-N 455.515 0.489 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793165538 SKNOOQUQZWNKHT-ZMMAXQRCSA-N 480.562 0.888 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1793347244 AEMUZWVJSVKHTD-QTQYAOCESA-N 499.564 0.386 30 20 JCED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1793565586 BBLRARIZKNRUAH-UJWQCDCRSA-N 492.621 0.819 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O)c1ccccc1 1793762166 UYOONMXRJUZZPB-WEMPKCCASA-N 452.511 0.325 30 20 JCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCNC3=O)c1 1794970248 CSTYIVJBCVKPFE-OPMZPASUSA-N 462.510 0.334 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)n1 1795598870 COSJQBJVAUSFGK-IZZQQSIFSA-N 458.563 0.158 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2ccnn2)C3)c(C(F)(F)F)n1 1795996990 JRDHRJXYVPWEQN-FVCICTRLSA-N 463.420 0.857 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(I)cnn1C 1796747414 PGESTDZWTYFONO-MWGHHZFTSA-N 464.329 0.546 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Cn1cncn1 1797903376 OEKYMXWLIGDPMT-ZWCLTMICSA-N 488.589 0.973 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(N(C)C)ccc1[N+](=O)[O-] 1798536903 SLXZTNODIKANOC-VLTQWEFMSA-N 471.514 0.722 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCNC(=O)c2ccc[nH]2)C3)c(C#N)c1 1799238270 DYEZMRJQWYKTSU-NHKMSHSESA-N 479.537 0.847 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799830772 ZHOWIEKWAYJLLP-MXASKKJJSA-N 472.567 0.518 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1800710669 OYCKPWZBSNKZEO-BPKGMFCQSA-N 469.604 0.920 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800800163 UYTUWRZTALOSKM-QLCXLMDBSA-N 481.546 0.071 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)C1 1801983212 OEEHEKVMXGRPPI-RZFLPCETSA-N 462.547 0.498 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2 1802126623 LEORAECZKBWLAW-SFNKJDCFSA-N 482.541 0.849 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1803571195 PTGOJDKNRQLMGG-YVWKXTFCSA-N 455.515 0.949 30 20 JCED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 1806901533 PFVCKNRBWPCMDJ-UHFFFAOYSA-N 482.585 0.859 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807148273 WUJBCVSJLWNHKT-DSKINZAPSA-N 492.584 0.978 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810566247 QOODIQFYIYJAPI-CXGFTZPSSA-N 458.563 0.710 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccn4c(O)nnc34)sc2C1 1816962994 WEKOXYWZFRSVGW-QDZRJHCZSA-N 467.511 0.976 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817815666 PPMFWGFJBJYUCT-UONOGXRCSA-N 455.479 0.415 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CS(=O)(=O)N2CCCC2)n[nH]1 1818107209 GILHCTWKHGYERE-JJEJIETFSA-N 478.575 0.686 30 20 JCED COc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CN(CCO)CCO)n[nH]2)c(C#N)c1 1822027054 ZZOSLJMHEWIDBC-NRFANRHFSA-N 484.557 0.811 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828523039 SGJNHKZVAJIAMC-LPHATQMZSA-N 487.557 0.221 30 20 JCED Cc1noc(N)c1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332372 ISXOTLQQHJCDSF-XMMPIXPASA-N 495.492 0.719 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ncon3)C2)C1 1829335303 ZPSCWXGELHHUSG-QFIPXVFZSA-N 467.438 0.223 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1829766299 QJMMSMPPGZTBFO-DNYPJJFXSA-N 494.589 0.605 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)cc3)C2)C1 1829768774 GRKHVHGNUUXNEH-DHSLYTQISA-N 456.543 0.681 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1829770049 CKRUTBMSIKOGKH-LJBSOROUSA-N 488.932 0.311 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1829771457 QODZRPYYUJBDOG-VRWDYKOXSA-N 465.510 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn(C)cc4c3)C2)C1 1829771535 UPOLXVQUKORNJT-WNWNSBFKSA-N 467.526 0.502 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(OCF)cn4)C3)C2)cc1 1829900789 MONSUEBXQFJTKC-QHCPKHFHSA-N 469.473 0.967 30 20 JCED O=C1Nc2ccccc2Cn2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc21 1831216273 IPNQFJASWUSAPD-AREMUKBSSA-N 489.532 0.981 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1831396979 UJVNJAJHKWJOJG-KUHUBIRLSA-N 458.437 0.547 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)C2)C1 1831402782 RGXMIIXSKUAFJI-BSRJHKFKSA-N 499.630 0.737 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1831413300 UWNOHCCXHRZRIV-QHCPKHFHSA-N 472.579 0.495 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1831438502 SZWIBFWBBNWKEU-KSFYIVLOSA-N 484.546 0.890 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831478622 DFCXONVTSWPDPS-UUOWRZLLSA-N 494.589 0.274 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831669192 PIVRFHRAYDMYCP-DLBZAZTESA-N 451.520 0.580 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832109572 PLLBMXDTTSLRQX-QVKFZJNVSA-N 478.575 0.899 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CC(=O)N(Cc5cccs5)C4)CCO3)C2)CC1 1832750402 VZVQRZDHGHMAMB-SBUREZEXSA-N 472.567 0.857 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cc(F)ccn3)CCO2)C1 1832847249 DVAJQVLVVLTBRA-HSZRJFAPSA-N 461.538 0.892 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)cc1 1833766565 QJIVFEMGUAUBNA-LJQANCHMSA-N 452.515 0.342 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccon3)CCO2)C1 1834492874 SVQDLFYSXOIAIO-ZHRRBRCNSA-N 462.503 0.661 30 20 JCED NC(=O)[C@@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1835118912 TVWHDCVJCIZCMV-WRFKIARRSA-N 475.615 0.651 30 20 JCED CC(C)CNC(=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835129235 IQXPWHGVZRNFTB-HUXSYLCKSA-N 465.595 0.859 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835345678 UFTKCUBHZXIPOH-QFIPXVFZSA-N 452.471 0.814 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCOCCOCc3ccccc3)C2)C1 1835364585 ZUQNDUJRMNOULC-RUZDIDTESA-N 489.569 0.997 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)N4CCOCC4)CC3)CC2)c1 1835765953 DJGFKLRMVQGJAE-XMMPIXPASA-N 455.559 0.394 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1835780198 SFAMYJOILGQSPZ-WGOQTCKBSA-N 491.552 0.987 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4nc(C)no4)CCO3)C2)c(C#N)c1 1836072213 BEUYGLQSICCTSQ-HSZRJFAPSA-N 469.498 0.500 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836374356 WUWTZWKRXGYRPO-DENIHFKCSA-N 463.667 0.767 30 20 JCED O=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)CCN1 1836520895 WGOBJEGAQIENMJ-LINQRHESSA-N 461.540 0.470 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1837441280 ZEEQUKMAXQIQTB-AQPAOHHBSA-N 481.557 0.809 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565050 KJUDFOHEQNBUHX-NYNQOQISSA-N 464.519 0.680 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1838357748 LJJLZBDSMOWAAL-OAQYLSRUSA-N 479.574 0.748 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838358644 SQOJSPNHRMHRIE-OGTCDWKQSA-N 467.567 0.521 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cc(-n4ccnc4)ccn3)CC2)CC1 1838555088 GWERSSDUASLDGE-UHFFFAOYSA-N 451.483 0.968 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)c1 1838579645 WLTROGITYGEMIW-JOCHJYFZSA-N 484.469 0.442 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838626111 HWXOEQTZEDMMPL-OYHNWAKOSA-N 475.454 0.432 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)cc1 1838951767 HNDVZJDXPBQPEU-DEOSSOPVSA-N 460.494 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1839175183 TXIZDBXOUIPJMI-XMMPIXPASA-N 483.525 0.847 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185522 FACDAJFSUDQFBR-OAQYLSRUSA-N 474.518 0.903 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204358 OHEVAYBSJONXCM-MDOVXXIYSA-N 461.581 0.037 30 20 JCED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839422465 WEDUUDQULSETRR-WIYYLYMNSA-N 451.520 0.881 30 20 JCED Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489216 SMHOBTSIJLTXKC-HSZRJFAPSA-N 463.498 0.710 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)n1ccnn1 1839705646 NQHDFUNLUPHLJR-FDDCHVKYSA-N 452.515 0.800 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)Nc3ccc(Br)cn3)C2)C1 1839807032 LAHLZIKHPDCBFB-HXUWFJFHSA-N 479.331 0.652 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C(F)(F)F)n1 1840041996 UHVYNGLIKMTHFE-LJQANCHMSA-N 466.372 0.130 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)c(F)c3Br)C2)C1 1840043849 XLLFTBHAJHFDFJ-LJQANCHMSA-N 487.253 0.885 30 20 JCED COC1(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CCC1 1840616727 KTNHZAFKFCDVSZ-SUGVQOHVSA-N 453.536 0.931 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)CCO2 1840936801 FCLGUTXJMPQVLK-HSZRJFAPSA-N 480.562 0.098 30 20 JCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c(C#N)c1 1845138703 JDEWCTFPSCAMKY-UHFFFAOYSA-N 460.556 0.738 30 20 JCED CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845873334 DREOWLXXDVBMTH-LZWOXQAQSA-N 454.618 0.324 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1847258992 PPKKKILRVJBXCK-LUNNPTDRSA-N 476.574 0.809 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CNC(=O)O2)CC1 1847851281 AJIHKBFOGSROHB-JYJNAYRXSA-N 461.519 0.837 30 20 JCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 105948506 BUEGDQDLDNSFOO-GJZGRUSLSA-N 465.576 0.294 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3)c2=O)c1 514645306 IGZSJVJXDSGXPT-UHFFFAOYSA-N 490.585 0.859 30 20 JCED Cn1c(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c(C#N)c(=O)n(C)c1=O 589784993 DQVIUULVPWXZLS-UHFFFAOYSA-N 458.327 0.773 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CC(N)=O 608911328 AIORTCIIKFAVRK-UHFFFAOYSA-N 490.969 0.485 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCNS(C)(=O)=O 608912711 WBKBBDHJOHIAGU-UHFFFAOYSA-N 480.587 0.326 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(F)c2F)c1=O 609350153 IYGGMRCVFAWFJY-UHFFFAOYSA-N 462.522 0.549 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCCOCC)sc(=Cc3ccnn3C)c2=O)c1 726581122 MDIBZAADLNJJAR-UHFFFAOYSA-N 461.547 0.660 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1 728534726 UUFHLQSOFAHJRG-UHFFFAOYSA-N 450.536 0.508 30 20 JCED CC(C)CN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 769641408 OGRKEUFECWEXMV-INIZCTEOSA-N 471.557 0.051 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3cccnc23)c1=O 818226405 SBAGKBUQQCGUKP-UHFFFAOYSA-N 450.520 0.466 30 20 JCED C[C@@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 853708998 VAGPAXVRULSYJL-MRXNPFEDSA-N 486.554 0.576 30 20 JCED N#Cc1cccnc1NCCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 916515885 AIZFPKVCRXCQNP-UHFFFAOYSA-N 458.548 0.211 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)cc1 918272554 LSCXVNWFGXFRQG-ZMOGYAJESA-N 463.438 0.233 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncnn1CC(F)F 1286629677 NAOXGEKPQXLMDM-GFCCVEGCSA-N 480.929 0.857 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N2CCCC2)CCOCC1 1360681065 MUERVAPLDREQFC-VQIMIIECSA-N 469.587 0.975 30 20 JCED CCN1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1 1502270766 SQHKSXMUMNSDJB-HKUYNNGSSA-N 487.634 0.823 30 20 JCED CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)N1CCOCC1 1611767219 JNPTXILGAJRHTI-XMSQKQJNSA-N 495.650 0.852 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCn2cc(Cl)cn2)C1 1620170943 PKBXVTMARPPPNJ-MRXNPFEDSA-N 468.971 0.901 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)c1 1697020157 YEWFWZMXIWLSGK-GOSISDBHSA-N 453.528 0.949 30 20 JCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740743132 NFIYHFFTONGGDR-CQSZACIVSA-N 475.351 0.958 30 20 JCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1765911554 CNEVODVNTAIPNW-FXAWDEMLSA-N 452.581 0.541 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1766724910 IGUDXSCUMYJADQ-UHFFFAOYSA-N 488.618 0.403 30 20 JCED CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1767699935 SBXJRBSQXIDYJW-UHFFFAOYSA-N 494.600 0.855 30 20 JCED CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)CC1 1778266281 HBMBONNTNFSGCT-QHCPKHFHSA-N 451.531 0.125 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1)[C@H]1SC(=N)NC1=O 1779422339 DCJNOYVBLUIBAM-KFTDNTNISA-N 495.602 0.832 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780597439 VUDADPIRQHAQLJ-CDXSOPQDSA-N 480.606 0.693 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781341728 ZGXDLDJKRJSEEO-SAHWJRBASA-N 469.579 0.665 30 20 JCED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1783115118 HFYPRHIQDLPTLR-CMJOXMDJSA-N 474.583 0.883 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783164879 GCBWQQTUBPXNIU-YTZAWJCFSA-N 476.574 0.649 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1783992660 ZXGXOHWKHNGQIR-QAETUUGQSA-N 450.536 0.546 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=S)NC)C[C@@H]21 1784785797 RGUHBHYNEDGKIW-XSLAGTTESA-N 497.662 0.920 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1785303643 CCXMEMXIMABQAR-QQMNAOGKSA-N 464.563 0.954 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1)c1ccccc1 1786791525 DIXVJDWGDFKVBJ-TUFLPTIASA-N 477.498 0.888 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1786900093 UZWPNOUQHZAZHG-VMXHOPILSA-N 494.589 0.594 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1788601466 LHMBFIITXWFZBB-YYAZMQDUSA-N 464.592 0.240 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)ccn3C)[C@H]2C1 1789227365 HAMATBIPXZDRDZ-ROPHOZQPSA-N 486.569 0.895 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)[C@H]2C1 1789286592 ARDBVFGVGCVGHM-CRQUZRIGSA-N 486.481 0.775 30 20 JCED CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079327 JQSXKKSPPQPLDT-XSLAGTTESA-N 465.547 0.994 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791258234 HBVLOLCDRFWADI-HFFXXBJSSA-N 491.676 0.946 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1792887588 JXTQMRDPFXWISN-ZAELMVBLSA-N 493.582 0.962 30 20 JCED NC(=O)[C@H](N)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1795635985 OLWMYIDQLFKULI-STAYPELNSA-N 474.561 0.882 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)C1 1797120479 FZSNJOOSCFGFFB-ADHGMGHFSA-N 462.547 0.498 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC(=O)NC)C2 1798358207 WBVDUBZOKJJQTQ-YYIAUSFCSA-N 495.577 0.566 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1 1798465926 JHUBIKGCSWXJDE-REPLKXPHSA-N 451.589 0.749 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2nccn2)N(C(=O)OC(C)(C)C)C1 1799412427 REKZALIYSIVWEK-ZMMAXQRCSA-N 460.535 0.433 30 20 JCED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799711141 WNPSAWLMORMRCZ-XOIINTDNSA-N 465.304 0.880 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)CC 1800477555 XWODWSJNXLCCPH-KYHPRHEASA-N 496.561 0.361 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C[C@@H]2OCC[C@@H]21 1800763290 GZXFODWLVLLQJL-OHWWPSECSA-N 491.541 0.079 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1801051436 FBHHCEHJUUFHAG-NDBKNAECSA-N 493.605 0.230 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1807152020 YYEXBVFNJBTFAT-GBESFXJTSA-N 461.588 0.946 30 20 JCED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1)C(=O)O 1810356605 JZRHOHLULIMHLD-KDIDOJBKSA-N 461.519 0.679 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815851488 NBDFDJWITPFCMU-NLTBIBMSSA-N 491.599 0.992 30 20 JCED COc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN(CCO)CCO)[nH]n2)c(C#N)c1 1820837777 URUFXHWYHYNICE-NRFANRHFSA-N 484.557 0.811 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2)C(=O)C(=O)O 1824674602 SNAIDSOREMSLLU-YWZYAFGCSA-N 467.504 0.127 30 20 JCED CN1CCC[C@@H](C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1829201667 SQOAXSKAUWZJBC-RLWLMLJZSA-N 496.564 0.868 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064560 NQJLMTWMHCVWSR-MWTRTKDXSA-N 478.546 0.919 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830886630 JYMBACYIQAAUHB-YADARESESA-N 477.558 0.825 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2 1831319089 VMHAZOWEDKFSJR-UWJYYQICSA-N 457.593 0.539 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1831387936 MXJFXGFIMPYURY-JXQFQVJHSA-N 495.573 0.117 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1831396753 IQMHOZXHYATJSE-MWTRTKDXSA-N 473.482 0.638 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3c(C)cccc3C)C2)C1 1831396888 LYZPIKZHAKHDGC-DVECYGJZSA-N 457.527 0.737 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)cc1 1832877831 JKDPNPXGGUBQMN-VWLOTQADSA-N 479.537 0.971 30 20 JCED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834569541 GPSVWCKBILKHFU-LQOIVRHRSA-N 458.581 0.132 30 20 JCED CCn1c(-n2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)cc2C)cccc1=O 1834758004 FJOQFXULOHQFQL-HSZRJFAPSA-N 468.514 0.346 30 20 JCED CS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1835258760 WLXNCJFPSNTEPE-LJQANCHMSA-N 489.472 0.692 30 20 JCED N#CCC(=O)N1CCC(N2CCC(NC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CC2)CC1 1835425762 PFGWCCWMMFIVCT-UHFFFAOYSA-N 462.514 0.670 30 20 JCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835678107 YNZYUJNGIWZVTH-VWLOTQADSA-N 485.585 0.754 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835709611 JNKKLWDLJDWUIL-UPMNJHNBSA-N 463.627 0.737 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835753218 DTVKHRPGVJFNRU-UHFFFAOYSA-N 482.585 0.459 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cc(C)cn2)CCO3)c(C#N)c1 1836200399 QJZKQRLFGYESRF-DEOSSOPVSA-N 467.526 0.771 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc4nncn4c2)CCO3)cc1 1837011448 CYWFTDHQFWUXGW-DEOSSOPVSA-N 460.494 0.914 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1837399519 VRUAWZOBYHZISZ-URZJJNJKSA-N 475.542 0.482 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445070 BBIHAYWDUPRTHJ-ZZAWEDPDSA-N 450.536 0.424 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccccc1=O 1837564423 NGVHAWXKWYYXEA-MYLUVWHHSA-N 456.499 0.578 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1837564591 YOCFYCXHQHBRIP-NYNQOQISSA-N 485.522 0.538 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)c4cc5n(n4)CCNC5=O)CC3)CC2)c1 1837581168 UCIZCVHVNGQRBE-UHFFFAOYSA-N 465.514 0.752 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837674304 XGTKOOLDVQIPKS-JTSKRJEESA-N 451.568 0.029 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1837841635 GAQBZJUXZGYHHG-BHSAALAHSA-N 467.567 0.107 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838404598 GJFZYQJLGDLDDB-TUXZPHEKSA-N 482.578 0.665 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1838534281 KQDLCHRFJDYAKS-DEOSSOPVSA-N 468.485 0.709 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)c1ccc(F)cc1 1839038092 PLWCEEFGZVNWIF-CVDCTZTESA-N 458.490 0.763 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1839109740 SZEAAFGFTFHDGE-BSRJHKFKSA-N 465.547 0.084 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CC(N)=O)C3)C2)c(C#N)c1 1839131267 ABNTVQSQPYZZTN-HJPURHCSSA-N 458.515 0.077 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1839174678 RKDBOEGHAXZBHB-HSZRJFAPSA-N 483.562 0.819 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1839176425 NWMOBNVKEZUNHB-QHCPKHFHSA-N 480.558 0.886 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839384613 LUFIMPFSUATKMU-XMSQKQJNSA-N 471.551 0.269 30 20 JCED CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486264 QCTPYWOUWXRZRR-WMZHIEFXSA-N 455.515 0.912 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)Cc5ccc(C#N)cc5)C4)C3)(C1)C2 1840003823 MPEUHSXHIOWUNQ-STEQJIOHSA-N 467.522 0.900 30 20 JCED C[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CN1C(=O)OC(C)(C)C 1840039912 DJLOIENSMVIZAY-GGUMNFRJSA-N 493.557 0.566 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)C2)C1 1840042355 PMCDDJSNUVZAFH-FQEVSTJZSA-N 480.399 0.740 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1840158800 QFQAMMOTQXTOFV-OXQOHEQNSA-N 456.586 0.625 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1)c1ccc(O)cc1 1840220596 VHUAKDZKLLYNKU-QLWBXOBMSA-N 471.554 0.870 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1)c1ccc(O)cc1 1840221079 UPFNSWXYQKUHMK-RDPSFJRHSA-N 460.527 0.355 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C(=O)N(C)C)c3)CCO2)C1 1840787947 YPPOYPOTVXPFQQ-KOSHJBKYSA-N 457.527 0.497 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1cccn1 1840820620 ANTTWKXUORCJAD-WZONZLPQSA-N 453.499 0.851 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(COC)CC3)C2)C1 1840906960 MZBXHFABBOWONX-HOYKHHGWSA-N 479.574 0.786 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1840908265 GSVANKCGOTUVIP-NBGIEHNGSA-N 492.617 0.845 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194890 BIBXQQGTYPBVRF-QGZVFWFLSA-N 456.499 0.809 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C 1847804116 DIYNIZIPWHXQNR-NCOADZHNSA-N 451.520 0.683 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 31294728 HIRAINBUSUVRBC-UHFFFAOYSA-N 471.539 0.442 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 524282899 RDUINFZYSQJHEY-UHFFFAOYSA-N 491.591 0.364 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 604168983 ODLREHCLBBIPTF-UHFFFAOYSA-N 472.502 0.920 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(=O)N(C)C 604270094 DYRPXTHSKJQXIV-UHFFFAOYSA-N 480.546 0.524 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1CC(N)=O 608910709 FNVBHNBDOQLSLN-CYBMUJFWSA-N 485.562 0.682 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCc1cccnc1 609038691 JOBMWASPAITCNY-UHFFFAOYSA-N 491.573 0.772 30 20 JCED N#Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 610879731 CPSKGQFIAGBJNQ-UHFFFAOYSA-N 484.581 0.042 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1=O 613979396 KKAUZDYNWSTPHJ-UHFFFAOYSA-N 481.340 0.594 30 20 JCED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CCO1 728757993 SZBJOQPKYINQKS-USMQXWLVSA-N 480.543 0.619 30 20 JCED C[C@@H]1Oc2c(cccc2C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)NC1=O 729740659 CZFPAWQDCMEUDZ-HNNXBMFYSA-N 498.517 0.968 30 20 JCED Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)n([C@@H]2CCS(=O)(=O)C2)n1 750821859 TZCHEYASKUJKQJ-IIBYNOLFSA-N 470.511 0.829 30 20 JCED CCn1c(=O)c2ccccc2n2c(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nnc12 800763525 XZFNUCXWBDGCCF-UHFFFAOYSA-N 466.479 0.957 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 858005712 XZDBWNMWXRWTPR-LSDHHAIUSA-N 493.563 0.668 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)c1=O 917474891 VIEQIVGAQKLULP-UHFFFAOYSA-N 455.515 0.276 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 1141772929 PDWLYUJZIXDFIP-ZBFHGGJFSA-N 454.574 0.545 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)CC1 1288986094 MDDUBJRMMSLOPJ-HNNXBMFYSA-N 467.621 0.738 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(=O)N(C)C)c1 1303867604 QYXKDTVEFATNGV-RHSMWYFYSA-N 461.548 0.367 30 20 JCED COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1=O 1316123742 STVMHAHJTPRGRZ-MOPGFXCFSA-N 481.557 0.925 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1516848521 YDEFCSSJYWWSPH-UHFFFAOYSA-N 488.618 0.403 30 20 JCED Cc1cc(NC(=O)CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)CC2)no1 1542234426 RFFSTNSDICRYPT-UHFFFAOYSA-N 477.529 0.962 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1611686855 NMUQADJDNSJYFG-WOSRLPQWSA-N 483.492 0.593 30 20 JCED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1612654274 SAMOZVUUYWBGSR-OAHLLOKOSA-N 458.544 0.423 30 20 JCED Cc1c(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)n1C1CC1 1652152224 MIYAMEMGGRREKY-UHFFFAOYSA-N 457.512 0.948 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCOC1 1692812790 QVNALFZEFDAISL-VGSWGCGISA-N 489.602 0.234 30 20 JCED CCOC1CC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)(N2CCOCC2)C1 1696186094 UKRWJXZWJSCHHY-ONARBREZSA-N 499.613 0.600 30 20 JCED CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1728209458 XACHKPIQIQBZCB-DNVCBOLYSA-N 453.569 0.267 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1729746726 QUVCGIGTOPJOFO-QGZVFWFLSA-N 489.602 0.971 30 20 JCED Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)c(=O)n1C 1751517317 QWWXDCILUIGCNK-QAPCUYQASA-N 474.591 0.120 30 20 JCED O=C1COc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cc2N1 1778575636 WLAROZRCQZWLHE-HPTBBYBNSA-N 455.515 0.933 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)c4cc(C)on4)C3)C2)c(C#N)c1 1779123584 SNAKRCMITLWWRI-DEOSSOPVSA-N 481.509 0.666 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779394161 MYNCYICJXONWCJ-SZNDQCEHSA-N 476.490 0.678 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779888158 CDSPEQMBRCWBFI-FDDCHVKYSA-N 458.515 0.680 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cncn4)CCO3)C2)CC1 1781170053 MGLJFIQVSAWQJQ-HSZRJFAPSA-N 487.561 0.649 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CN2CCN(C(C)=O)CC2)CCO3)c(C#N)c1 1781172809 GRBGPSUYAKYWJD-VWLOTQADSA-N 483.569 0.103 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C[C@H]3NC(=O)NC3=O)C4)c2c1 1781204288 XWUWRASDKXCTAE-SEPYTNNBSA-N 479.497 0.160 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)CCO2 1781269358 MQHDWEUMBKGXPX-XMMPIXPASA-N 470.526 0.830 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1781291756 PVXLPQPBLXHVFF-HJPURHCSSA-N 493.561 0.228 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ccc(O)nn2)C1 1781466510 GTVXAOVGRYTIKP-WZONZLPQSA-N 458.563 0.911 30 20 JCED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1781736530 MTSKEIQZRYHVRA-HOZJOUCCSA-N 486.573 0.160 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2 1783267956 AFHKJMCOMYTYGM-GSHUGGBRSA-N 475.550 0.104 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1cccnc1 1783557360 FVJJYCWBHFWRTI-CVDCTZTESA-N 472.498 0.565 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565014 GWOLOBHPLKLHEM-JUJDGOMYSA-N 475.542 0.844 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)c2C1 1783565454 UMVNRROXTDCWTO-QHCPKHFHSA-N 487.513 0.165 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)c1 1783917427 LZQYAQVZXFDIQV-UFYCRDLUSA-N 450.495 0.396 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)CCSC)C2)C1 1783977910 YELXXEGHFGQJDN-PNLZDCPESA-N 469.604 0.847 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1785376083 JYBXTPDGZBDJHI-XMMPIXPASA-N 463.494 0.592 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1785451672 DVYANCYXPHHZQY-NYQDVAGCSA-N 459.518 0.741 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1785571973 GEOGKSPLFDQSSF-OSPHWJPCSA-N 485.541 0.541 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)Cc3cscn3)CCO2)C1 1785575000 WVJUWJRCPWHGSG-IUKKYPGJSA-N 491.614 0.759 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786370341 ORMSPNOURCHOIC-CABLIKTCSA-N 462.547 0.904 30 20 JCED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4nc(N5CCOCC5)ccc34)[C@H]2C1 1787176005 ANTWRACBQCWKFE-LNLFQRSKSA-N 467.530 0.463 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(OC4CCOCC4)n3)[C@H]2C1 1789105491 RUVXIHJFHBGHSR-IEZWGBDMSA-N 457.483 0.321 30 20 JCED O=C(CCc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1790566217 GMLJKFATGMLCRN-IHRYEDMLSA-N 461.519 0.624 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1793340644 CJVWSEXCBSUSRA-BOQPXBONSA-N 479.574 0.232 30 20 JCED Cc1nn2cc(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)nc2s1 1795598355 STMZEBLUEDIEQN-JLVBRIDZSA-N 459.576 0.513 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 1797710862 OCWIQHUHMIBCAG-WOUAJJJCSA-N 456.543 0.653 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744382 IHMYLCAGHUEWRU-ZOBZJNQJSA-N 481.594 0.323 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1797818613 VUCGNTUMXJGSPW-ARDWUEEWSA-N 472.542 0.925 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C3)c1 1798575963 BGQWHVQYVLMIPA-HNJRGHQBSA-N 488.541 0.656 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 1800990051 WHHNZTNFDMOTLK-MGPGSEFLSA-N 469.604 0.776 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1cncn1 1801265750 LLLLYEQTHYEMIR-ZMMAXQRCSA-N 460.535 0.174 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801991510 NDCAKWRCCHLLMY-ORQFMDKSSA-N 459.503 0.572 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802087772 QYMCKGKVLQRTOB-FLXSYLCISA-N 497.589 0.606 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1802139557 FBEHDUUWNYZJGS-LMKFDNDNSA-N 490.517 0.991 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1804188319 SHXHLKPHMQTLFS-XMSQKQJNSA-N 467.526 0.338 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCN(C)CC1)C2 1804372230 MBHHIBCLQYBELX-YRPNKDGESA-N 461.607 0.789 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1807147270 INXWIRJXIPGNFG-QFBILLFUSA-N 453.551 0.702 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810149123 WTNGNPKYBQXIRV-QFBILLFUSA-N 453.551 0.702 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1810489774 OACYIFKYPPGXOM-DYESRHJHSA-N 451.483 0.476 30 20 JCED N#CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1816747217 VPJYQYRATSNBEX-NWANDNLSSA-N 459.532 0.496 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)n(C)c1=O 1825105735 YTSOEZYZNVDQPE-SFHVURJKSA-N 495.584 0.747 30 20 JCED CN[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1)C(=O)O 1828921097 MUCGOTCMRBKTKZ-UQBPGWFLSA-N 497.552 0.805 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CN)CCN3C(=O)OCc3ccccc3)C2)c1 1828964566 RIQUVANWZCFHKU-HSZRJFAPSA-N 450.499 0.911 30 20 JCED NC[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1829044195 IPZOWVGVNFTNDT-RDPSFJRHSA-N 453.543 0.138 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1829764586 ORGQFCXTURZURO-FUXKOTGBSA-N 471.510 0.141 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNc4ccccc43)C2)C1 1829765130 HIWISHBMEAHEAC-RHPOUKCLSA-N 454.527 0.511 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)N4CCCC4)C3)C2)cc1 1829898917 NNGPDTIDBOTYMV-RUZDIDTESA-N 468.554 0.960 30 20 JCED C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)C(F)(F)F 1829899420 ZDAXWQHZNQVJQX-UXHICEINSA-N 455.433 0.870 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C1CC1 1830850685 BZHXHHYTJGNLTL-GAJHUEQPSA-N 479.530 0.224 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccc(N(C)C)c3)C2)C1 1831387502 QGBAUQBDYWLHSV-YADARESESA-N 459.543 0.626 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1831426429 LOBPUAHUCKLXPQ-FDDCHVKYSA-N 455.515 0.928 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1831438657 URRQNPKYKXOVLE-BVZFJXPGSA-N 483.521 0.777 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1831482065 CITDPOFTADKWGT-IXFSTUDKSA-N 499.630 0.976 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831901979 CWNACFPGYAZLRV-WWCXEQRYSA-N 450.467 0.820 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)CCO2)C1 1832004262 UUCWNYGDJXYNSB-FVJVTNMWSA-N 497.589 0.409 30 20 JCED CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832549949 YFAYBXYNQQLXIL-SBUREZEXSA-N 481.546 0.614 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833028416 OQSKUOPAPPTHMX-PBPSECFOSA-N 460.531 0.661 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c1 1833766892 ZVNNHVYCTGDSQG-LJQANCHMSA-N 470.505 0.481 30 20 JCED COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1C 1834577016 KFBKJOIIEQHQNE-HSZRJFAPSA-N 459.547 0.751 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1834777188 UWRVCQVROLJLHF-MNQSQUENSA-N 457.483 0.513 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1835439937 HOHJFYAHPJBBTB-NRFANRHFSA-N 498.690 0.803 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1)N1CCN(C)CC1 1835731666 PHKXRISBPQQNPA-QRUUQNQBSA-N 475.682 0.666 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835779192 WBPGZFQOPVMXMF-WGOQTCKBSA-N 495.584 0.914 30 20 JCED C=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)C(O)O)CC3)CC2)N(C(=O)OC(C)(C)C)C1 1836633878 UGTBLSLLAKGGBG-SFHVURJKSA-N 467.563 0.861 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836994829 VKLMBJIHNVBMOJ-IBGZPJMESA-N 461.559 0.873 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837094734 ZYBRYOISTLIVIH-PTJKWTKHSA-N 461.519 0.428 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1C 1837486969 VGUFZFQNPUEGTP-DEOSSOPVSA-N 458.559 0.426 30 20 JCED NC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccccc1 1837489780 UYRQQOBOSUJFQZ-ATIYNZHBSA-N 469.582 0.884 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837531317 JCUUPBKPMPKNEW-ROZQTZPBSA-N 472.502 0.328 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837562802 QFOBUINNGWJDGN-JBMWNJKUSA-N 452.471 0.511 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837704517 WSUIJDQVMFSAOF-HXOBKFHXSA-N 456.499 0.084 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837882282 VIBQMLGFAAUSFD-GOSISDBHSA-N 452.552 0.087 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ccccn5n4)C3)C2)c1 1838581764 NYGPGKJTVWCBEA-DEOSSOPVSA-N 476.493 0.993 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838581845 SCTMAURQVCUDBS-XMSQKQJNSA-N 459.503 0.084 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])c5c4OCO5)C3)C2)c1 1838737892 DUCQSCXIRVCDJO-JOCHJYFZSA-N 483.437 0.907 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839073890 YEDCLTHWCJVAAC-ODRRNAMXSA-N 498.577 0.885 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)CCO2)C1 1839080746 IIINBMHZNNKQGV-SXKCCIOGSA-N 453.605 0.798 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1839117678 BEWCJKPCWVRUDB-HSBZUZAYSA-N 478.590 0.990 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncn(C)n4)C3)C2)c(C#N)c1 1839131482 HCSSOZCKCUTBPP-QFIPXVFZSA-N 454.487 0.008 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839226115 FJKCYFXTYWRXCS-JTSKRJEESA-N 458.519 0.529 30 20 JCED O=C(Cn1cnnn1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)CCO2 1839345635 UTPLQZWUZYBJEC-AREMUKBSSA-N 486.532 0.843 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5c(O)cc(O)cc5O)CCO4)C3)c2c1 1839373743 WMIVXYBYNWRFDK-XMMPIXPASA-N 493.476 0.935 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839413513 CNEXEKYAPDPGMR-QFIPXVFZSA-N 475.502 0.652 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421118 WOVNYNVPKLVZNU-QRQCRPRQSA-N 461.494 0.475 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839633499 IPIBTGBYRGHTQE-ZHRMCQFGSA-N 456.543 0.800 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839637132 XUWLIKYQHDBEDM-YIXXDRMTSA-N 494.592 0.908 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)cc1C#N 1839665690 SAUURJGDKKXEFM-RUZDIDTESA-N 495.536 0.672 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cccnc3)NC(=O)OC(C)(C)C)C2)C1 1839806894 GHBDMHBKDXRBSJ-NTKDMRAZSA-N 472.542 0.607 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1839809686 HIMUQYOBDQWOEA-QHCPKHFHSA-N 460.531 0.617 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C2)C1 1839810596 HZZUHLNKBMHVJE-OSPHWJPCSA-N 495.573 0.701 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(Cc3ccccc3)C(=O)OC)CCO2)C1 1840083539 JIIOEEHOHJLFPB-CPJSRVTESA-N 487.553 0.750 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2)C1 1840171104 OVMSXXWJAMBMPA-ZGPJAWLASA-N 487.619 0.681 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCSC)CCO2)C1 1840201224 KRATZOCZZVEXGO-BSRJHKFKSA-N 499.630 0.473 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1840480064 MNNBDCGCFXRTTC-FPGHNAPASA-N 482.541 0.593 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840897322 WMNWZLHOPUHWAD-AUUYWEPGSA-N 472.589 0.104 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)CCO2 1840945930 NPOGUXPOGYBHAX-LYXWCMDISA-N 497.564 0.829 30 20 JCED C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)C1 1841082552 KULASTXEMDPSKE-GOSISDBHSA-N 460.575 0.923 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1842240660 JWLCZRIWDHSXIA-DOUQRPAJSA-N 464.544 0.972 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1845223201 ZKKHIFRCPCBPLU-BZEWVUQVSA-N 468.551 0.995 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C 436706981 QZFREDNQHXUXTH-UHFFFAOYSA-N 450.314 0.729 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccc(NC(C)=O)cc3)c2=O)cn1 523182731 YZTGIWVETIYLCH-UHFFFAOYSA-N 494.577 0.730 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccco3)c2=O)cc1 603794017 GIBBGFSLQZDTCV-UHFFFAOYSA-N 494.573 0.842 30 20 JCED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)c1 609338304 YLCHSRPXTSMVKB-UHFFFAOYSA-N 451.549 0.708 30 20 JCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 619105326 VUKVRKXVUFWFOL-IBGZPJMESA-N 491.595 0.384 30 20 JCED Cn1cc(/C=C2/CN(C3CCCCC3)C/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 727266991 MCFHICVCDOQSIS-APGQMXJTSA-N 481.553 0.166 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 745339061 FVTLKDXMEUUPRK-LJQANCHMSA-N 486.550 0.025 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(SC)c(OC)c2)c1=O 746483136 GUPTVZOOTSEONH-UHFFFAOYSA-N 475.592 0.649 30 20 JCED CN(C)CCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918258201 YFSJOWZYUFCZGP-QQTULTPQSA-N 478.619 0.580 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 918285591 PIKREJZOBBMVFI-IXPAQYDLSA-N 456.546 0.083 30 20 JCED COC(=O)CNS(=O)(=O)c1cccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 918580644 BIFUAZFFXFNHIT-UHFFFAOYSA-N 480.524 0.205 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 919315074 AJGOZTQBZSZTOQ-YJBOKZPZSA-N 470.569 0.830 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cc2)CC1 919663034 MBHPCBPVAPERDT-UHFFFAOYSA-N 490.563 0.671 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N(C)C 1292122822 YGIPCDHMCDEGDI-OAHLLOKOSA-N 468.566 0.661 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCNC2=O)CC1 1301045547 UUXQVHWCXMGUEJ-HNNXBMFYSA-N 473.987 0.358 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCOC2=O)C1 1316354855 IVUZALWLDCYXBM-KRWDZBQOSA-N 481.579 0.583 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1360653839 VSJSBUTZOSBMOM-AWEZNQCLSA-N 466.589 0.974 30 20 JCED CCN(CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1547575506 JBVMQRZWLPKIEV-SFHVURJKSA-N 472.575 0.917 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N1CCCC1 1598081381 OTHHTWLNQLJAST-MRXNPFEDSA-N 456.590 0.826 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1618309742 PIYMRNLRMBXLAV-UHFFFAOYSA-N 461.548 0.051 30 20 JCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1620164704 SDSTVQFNOOKSEQ-UHFFFAOYSA-N 472.571 0.937 30 20 JCED Cc1csc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)n1 1693330623 PWPUFCYQRZIWPG-SUMWQHHRSA-N 455.541 0.866 30 20 JCED CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)N1CCCC1 1694399488 RUMPLEPOPKRIEO-HLIPFELVSA-N 469.587 0.927 30 20 JCED COc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)ccc1C 1729985911 KMILMOTUPOTOQK-IEBWSBKVSA-N 476.559 0.705 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1741055574 LMIHBZYGVZNBLF-UHFFFAOYSA-N 461.548 0.289 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 1741068166 URRMZFCHPLDKNI-SFHVURJKSA-N 480.573 0.560 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CN4CCN(C)CC4)C3)C2)N(C(=O)OC(C)(C)C)C1 1778264229 SMCOEQLORFZGJE-NBGIEHNGSA-N 491.633 0.629 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4CCN(C(C)=O)CC4)C3)C2)c(O)n1 1778352775 HYYMBBAMCSTZGS-VWLOTQADSA-N 485.585 0.513 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)c(C(F)(F)F)n1 1778937176 CONIABZQNAJXDM-SFHVURJKSA-N 450.377 0.291 30 20 JCED O=C(/C=C/C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)NCc1ccco1 1779207335 HUDMPZFGHYUZOB-ZHBSTKLQSA-N 469.538 0.981 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C1 1779210947 YLFZHHLCLKNJPU-HOOSLVGPSA-N 492.621 0.680 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779422772 NYZAMUNNQDXRPQ-PKWPTEKUSA-N 452.552 0.896 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1781862005 YCPKRVZGDVIYFZ-CVDCTZTESA-N 476.505 0.913 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C23CC(C(=O)OC)(C2)C3)C1 1781956558 QKAWJWBEHBXJRE-VWGOVPBPSA-N 459.543 0.702 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)O)C2)C1 1783525363 WGXMUULHODAQFM-WCJKSRRJSA-N 484.550 0.003 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C(F)(F)C1 1783565749 PTASICJPBPKLDF-BTYIYWSLSA-N 485.484 0.797 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1783769178 YGBSMJAEBDJJEJ-IVZQSRNASA-N 477.566 0.619 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1783892592 BDHGXYJCNDBOID-BTYIYWSLSA-N 460.560 0.328 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1785593551 AXVSEWZWGYBXMN-IPHXSNPTSA-N 471.576 0.330 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnc3)[C@H]2C1 1786164674 CBBKSWYTVVBZBQ-OKYOBFRVSA-N 459.547 0.779 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 1788659585 PQDHGKVGCMTSMU-UWDOHLRBSA-N 456.503 0.852 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4[nH]cnc(=O)c4c3C)[C@H]2C1 1789172373 HHRCLAYKPLTDPP-WDSOQIARSA-N 457.531 0.907 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)[C@H]2C1 1791102772 VLWJLOMNERGIBS-NXOAAHMSSA-N 453.536 0.999 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 1792261205 BUBQLJVHPINCRS-JPLJXNOCSA-N 486.569 0.895 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C 1793824460 MLHHPCKFLOBZBJ-FSBAQIMFSA-N 452.555 0.491 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795417812 DWOUMTOYQBKPNE-OREBXVKISA-N 450.536 0.498 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O)c1ccc(O)cc1 1795534480 RWDQOBIIVWRZEV-RZUKHUMYSA-N 456.543 0.072 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C 1796393108 PRGFNKOXUOPAMI-MDMSPXHWSA-N 469.579 0.689 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2n(C)c1=O 1796996594 ISXLBQKWZAVDLX-QXGSTGNESA-N 454.527 0.710 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C(=O)OC)s1 1799042777 DKAKQZMCLPKNJK-KULPGCBOSA-N 461.540 0.525 30 20 JCED O=C(Cc1cn2c(nc1=O)SCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1799073395 LEQDICTXQWGLNT-RMFSNUHRSA-N 486.594 0.180 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799075090 XHZDLZCUNSCANK-SCNOPHJPSA-N 463.560 0.282 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCOCCOCCOCCOC)C1 1799384396 QUIFVTWXJHCGHU-VTYHHJSWSA-N 454.564 0.629 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C 1800825196 VUUMUERLIVQNPO-NGKOCFBJSA-N 495.617 0.910 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2)NC(=O)OC(C)(C)C 1801927971 BUEYZAXONGLOPN-PHSQPZKOSA-N 464.563 0.714 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1802139545 DSIBEXDGAJABMP-NGIPEHDUSA-N 497.556 0.797 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)[C@H]2SC(=N)NC2=O)[C@@H]1c1cccnc1 1802480270 FNHUAVNNJSFZSS-YTDYIGSMSA-N 484.582 0.748 30 20 JCED N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1807115466 JHVZXQJLNGRHKH-UGKGYDQZSA-N 452.559 0.626 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCNC4=O)sc2C1 1818913451 RUXBTQPGTBREQB-ZDUSSCGKSA-N 484.586 0.981 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)n1)CCN2C(=O)OCc1ccccc1 1829048788 CHRMBMFTMINONY-HSZRJFAPSA-N 480.481 0.867 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1829765111 GXHLCLDCUYMCFR-WGULIFDRSA-N 456.543 0.044 30 20 JCED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)CC1 1830462843 QQTRHKJJACXNGM-QHCPKHFHSA-N 455.511 0.900 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3C)C2)C1 1831388621 ZRYAMLOAQMRXOC-QNIAMRLHSA-N 455.555 0.538 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1831433798 YVRYNRYWICLJCT-MBSDFSHPSA-N 455.515 0.928 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1832000786 WVNKVJIQBAFZMA-IUKKYPGJSA-N 492.577 0.765 30 20 JCED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)no1 1832934149 XHNSCKDCEVQYNL-QFIPXVFZSA-N 455.471 0.328 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOCC3)CC2)CC1 1834637750 PQDNDOGDEIYRGL-OAQYLSRUSA-N 450.624 0.853 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835169704 IRBFZTMGZVYZEE-YKSBVNFPSA-N 460.527 0.987 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1835247186 KIRJVQXARQCGJA-MBSDFSHPSA-N 483.562 0.022 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835405817 OIYLRUPUKXADOY-HOYKHHGWSA-N 494.589 0.535 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1835408068 XNTHCJKOMZOPNM-VWLOTQADSA-N 485.585 0.031 30 20 JCED Nc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cs1 1835795999 RJSDWXSLANSLDQ-CMOVFPCMSA-N 453.521 0.324 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836887510 DANJNTLJSUJAAM-QFIPXVFZSA-N 455.519 0.081 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837079873 ZVZYBBBASFZGKO-RWOVVYLESA-N 454.531 0.876 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)N1C[C@H]2C[C@@H]2C1 1837287210 QMHRNKHIAMEXRG-CMPLLPGZSA-N 464.563 0.312 30 20 JCED CC1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837526052 RZKMOBWWQZCJKL-ZZTJDXDDSA-N 466.579 0.704 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565760 ZYFYAOKQQGMYTI-JNVMUYNCSA-N 451.476 0.717 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)n1 1837655959 ILGVWEZDZRAXQX-AVRDEDQJSA-N 466.604 0.698 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1838100867 MUXWNKWOGRFDEE-HKOYGPOVSA-N 497.662 0.882 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838436505 ISSIMGWAFMIPKB-WAIKUNEKSA-N 458.515 0.940 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1838569283 XAEHYLSSYCAKCV-XMMPIXPASA-N 458.511 0.709 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)c1 1838581583 BNBZPGVKTWOHPD-WIOPSUGQSA-N 479.537 0.602 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951537 URVDTKTUJPXBFZ-UZUQRXQVSA-N 450.499 0.919 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1n[nH]c3cc(Cl)ccc13)CCO2 1839046773 GOVDJJYKMLAPDE-NRFANRHFSA-N 460.874 0.303 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)CCO2 1839085404 GMIXNTXPEDDAAX-RTFZILSDSA-N 465.547 0.797 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cc1cccc(O)c1)NC(=O)OC(C)(C)C)CCO2 1839181159 NUTLBGGSXXPAAJ-CPJSRVTESA-N 487.553 0.918 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)N1CCN(C)CC1 1839421366 MBQYYFLDFXFOMB-UUOWRZLLSA-N 473.549 0.403 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839436580 BCWPOZNAZTWZBT-GBXCKJPGSA-N 469.542 0.910 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839539219 FYXYHIIVMYPOLU-XQHLYRQSSA-N 471.514 0.933 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C1)CCC2 1839582323 BNKWOWMJGLGTGQ-FYGKWSDDSA-N 475.546 0.508 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(C)=O)CCO2)C1 1839881141 NBRGQZLEOGKLKJ-UQNRQAKVSA-N 482.578 0.437 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1)c1ccc(O)cc1 1840221724 HKYUQPWYXKNEKW-CJAUYULYSA-N 496.520 0.861 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820054 WEYIDOXLAACYFP-KOSHJBKYSA-N 472.542 0.698 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840852268 JHJYVZNJAJHNQD-AVRDEDQJSA-N 451.568 0.029 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO3)C1 1840882373 HMHLDAMOODXWNB-MHECFPHRSA-N 495.573 0.865 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840912740 OEXNJGASKYUFNJ-AIYSXCBHSA-N 491.545 0.655 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1)C2 1846365739 SIPWUPSATVMDBC-HOTGVXAUSA-N 493.561 0.274 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)N1CCOCC1 1847939856 JALRYOMJCCRHEW-DWRORGKVSA-N 452.552 0.308 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848215076 TVMWPKOPRFBJDP-MNEFBYGVSA-N 454.527 0.893 30 20 JCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)Cn1cnc2c(cnn2C)c1=O 12057911 VAOADFKZTXPLIT-UHFFFAOYSA-N 455.475 0.638 30 20 JCED CN(CC(=O)N1CSC[C@H]1C(=O)N1CCSCC1)S(=O)(=O)c1ccc(C#N)cc1 484363531 PXDHJGMYFIZSDR-INIZCTEOSA-N 454.599 0.656 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2sccc2C)c1=O 514491490 QMOSKXCBPHTPCG-UHFFFAOYSA-N 492.692 0.984 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(C)c2)c1=O 523477920 MKRXYSIYNNEIBB-UHFFFAOYSA-N 470.595 0.206 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc1OC 524282014 LXPMXQZMKZJZPU-UHFFFAOYSA-N 459.524 0.539 30 20 JCED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 604219495 CGUSCINVVBPAAJ-UHFFFAOYSA-N 451.462 0.316 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)c1 726299029 SCLMTLPXOBRXDA-MOHJPFBDSA-N 465.576 0.665 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCS(C)(=O)=O 729674789 MGUQNLBGSQQDRC-UHFFFAOYSA-N 451.545 0.369 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)c(F)c2)c1=O 742530988 MXBYLVCTVYAGBY-UHFFFAOYSA-N 451.907 0.711 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)cc2)CC1 747022229 XEBBDVHOGUCCTQ-SFHVURJKSA-N 455.496 0.896 30 20 JCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1=O 914830158 AIKMTVSZEWLDKK-SIFCLUCFSA-N 456.565 0.724 30 20 JCED COCCCNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 916874984 JKFMOIYOOABXHI-GOSISDBHSA-N 464.544 0.161 30 20 JCED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 916938182 HWMINDUZMBQZQD-HZPDHXFCSA-N 474.495 0.676 30 20 JCED N#CCCN(CCC#N)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919645593 BZXAAWIRKVESDV-MRXNPFEDSA-N 474.495 0.823 30 20 JCED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H]2CCS(=O)(=O)C2)cn1 1326932245 UZHJOOBZEVVTMS-KBPBESRZSA-N 463.545 0.840 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1547782699 TWHPNGNLTJRBIP-FPDPHYFHSA-N 460.560 0.875 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(=O)(=O)CC 1593885167 LKNDAQXUGRMYHO-ZDUSSCGKSA-N 455.990 0.234 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCCCC2)C1 1620171011 QPZRZDIJLBORRX-PXNSSMCTSA-N 469.587 0.929 30 20 JCED N#CCCN1CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CC1 1651190670 QBUOTRXQZVYAKN-UHFFFAOYSA-N 459.528 0.633 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(-n2cccn2)c1 1692786163 RYXPLHBUCCCGSW-KUHUBIRLSA-N 459.511 0.959 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)CC1 1722484738 JQNIUPAAQBNTKC-OAHLLOKOSA-N 493.428 0.288 30 20 JCED CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1750962730 SGHZUDWFSUXTLL-UHFFFAOYSA-N 488.618 0.896 30 20 JCED CS(=O)(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771355392 NGBOQOXDPKVMNF-MRXNPFEDSA-N 477.616 0.881 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)CCO1 1771537432 OCSKAFWLOKCOTN-NEPJUHHUSA-N 451.413 0.879 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1778362507 NXMPCPCRIGOCOV-QIMADWELSA-N 493.601 0.863 30 20 JCED O=C1COc2ccc(C(=O)N3CC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cc2N1 1778575637 WLAROZRCQZWLHE-UUVZMSSXSA-N 455.515 0.933 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC(C)=O)OC(C)=O)C1 1779399995 HRBCGKAPJYGEKZ-MIZPHKNDSA-N 468.547 0.978 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1779652589 MUDKIZBMGIDGFK-PHWHVTFISA-N 455.437 0.741 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1780220007 BQFZXKMXEXITTA-VKUXZERMSA-N 458.906 0.913 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)ccc2F)C1 1781103810 VCRCDKJTHAIMNS-ZWCUEREDSA-N 462.478 0.889 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)ccc1F 1781301321 WCPKKFSWAGWOTN-XMMPIXPASA-N 476.468 0.786 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781865165 XIWCEGYZAFWYAM-QNCNLXEUSA-N 457.531 0.868 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)N2CCOCC2)CCO3)cc(C(F)(F)F)c1 1782034692 ZZTTYMWRYSBGDB-CTNGQTDRSA-N 482.459 0.671 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCCCNC(C)=O)NC(=O)c1ccccc1)CCO2 1783055472 VGHLBWKLKSLZMP-BWKNWUBXSA-N 468.554 0.555 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783189614 AGTRLEBTFDRVOB-MQNAVGNWSA-N 464.563 0.812 30 20 JCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2)C(F)(F)F 1783202275 FYBDXLGBUBPJEZ-CWTRNNRKSA-N 456.421 0.941 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1783276221 XDIQIJRPKQAUNI-MNFWLRKXSA-N 494.589 0.307 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)C[C@@H]32)cc1 1783440920 VPAJTYAAUJOONS-FHWLQOOXSA-N 453.499 0.022 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)[C@@H](O)C1 1783478890 VDEZWCTVYDTACM-ADHGMGHFSA-N 450.536 0.498 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2)c1ccc(O)cc1 1784012004 BNYDRLROVKJKHC-XTJBDQBJSA-N 471.554 0.870 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)NC(=O)OC(C)(C)C 1785304758 GZFHTYJFDPUGDR-HJPURHCSSA-N 496.561 0.219 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785509166 ORPSICIPKRAITA-NKOINVLESA-N 458.515 0.928 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1785575557 DILZNEYMQOOJMH-OPAMFIHVSA-N 462.503 0.527 30 20 JCED O=C(CNC(=O)c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1787082371 UPTIZWPYSUORHT-GZGPQLLCSA-N 462.503 0.518 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]32)c1 1789256207 WLUCJOOHNIATOK-VTCANLHHSA-N 463.556 0.841 30 20 JCED CCOc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)nn1 1789396884 OSNBIGCTJBTTGC-RSGOWTOPSA-N 461.519 0.998 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3noc(-c4ccccc4)n3)[C@H]2C1 1789690841 JKXMQMMYLOHSQB-BZSNNMDCSA-N 452.467 0.737 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789876338 IPRLMPUMNYTCNO-TXTZMMAHSA-N 452.552 0.570 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)n4cnnn4)[C@H]3C2)c(O)n1 1791684478 UDEPGYNQSSDGEP-LNMJFAINSA-N 455.519 0.747 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1793360541 SMFGFXIHUZPYKA-VXIBKDFQSA-N 492.573 0.933 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1793818502 RRGHWOJTDFFZFG-UEUMHJPSSA-N 461.584 0.675 30 20 JCED O=C1CN(c2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#Cc3ccccc3)C4)n2)CCCN1 1794505551 GTEVXLAZODAMQJ-VSVJTWGKSA-N 487.560 0.663 30 20 JCED CC(C)(C)OC(=O)N[C@H](C[C@H]1CCOC1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1796452351 WTJFOSAGPAYLEP-OGJJZOIMSA-N 450.536 0.810 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1797119426 BTLFMPHSZPWZGT-XSEPRYCASA-N 495.617 0.767 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2cccc(C#N)c2)C3)CC1 1797303122 JPEVELYYRMUOHR-BRTYFSMRSA-N 467.570 0.245 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)NC(=O)OCC)N(C(=O)OC(C)(C)C)C1 1797589300 IYHAOVIVTQFUDC-CNMWIUBYSA-N 496.561 0.206 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)C3)c1 1798858851 YBLVBAHIIIBVAX-LJCCNALRSA-N 463.494 0.768 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1799305562 RZNGKEAKFMRBEH-FEJSZKPUSA-N 481.505 0.829 30 20 JCED COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3n[nH]c5ccc(C#N)cc35)C4)(C1)C2 1800705805 XGYFUBUCPSVDLJ-NYZMPRBCSA-N 463.494 0.981 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](S)C(C)C)C2 1800800306 YNSVUGBMXWHZBP-CRCOGDFISA-N 487.619 0.987 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801993009 CPMYXLCGBFEODZ-RDTNQEAYSA-N 475.542 0.985 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2 1802138495 ISUWTYYPAREUTI-DJSSIZSOSA-N 460.535 0.488 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1802488554 YCMILWXYTAEHPZ-ZEUIOTOJSA-N 463.498 0.149 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804094502 GAZOZYMUENDCIG-JPYJTQIMSA-N 476.493 0.590 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C2(N3CCN(C)CC3)CC2)[C@@H]1c1cccnc1 1807927779 SGMZDKFYUBCBJS-HPISWOMLSA-N 480.613 0.726 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810333630 MSXLMXGYYMOQKI-AVRDEDQJSA-N 476.537 0.989 30 20 JCED O=C(CN1C(=O)C=CC1=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1822529055 FPCYANQXQJFMBK-IZZJBSDZSA-N 458.475 0.856 30 20 JCED C=CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824808967 OYQKBCYJDIONMN-KWCYVHTRSA-N 463.585 0.811 30 20 JCED CN[C@@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC#N)C2)C1)C(=O)O 1828990341 NPYVCKMSOURJBT-YADARESESA-N 485.541 0.805 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829532265 OMYGLKAXVCAQQU-GLCBDYMLSA-N 468.457 0.959 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)s1 1829902425 QZSKWRBJVAJUOE-JOCHJYFZSA-N 455.540 0.960 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1830573870 CZTVELLUEDJDMI-HYFFOGBASA-N 486.566 0.129 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1831401549 BPAHKLISWHMKBA-NXMSCROESA-N 493.557 0.407 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1831998817 LWEMRQOEAXQWAJ-JKSBSHDWSA-N 455.552 0.683 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832206348 UOKKMTUACLXHRM-QVJNVZBHSA-N 486.529 0.417 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832498649 GYXXBECOTRAFIZ-HYBUGGRVSA-N 474.510 0.792 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)c1cccnc1 1832724570 WMATZIVMIORZHO-RUZDIDTESA-N 496.951 0.973 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832878158 WPKSJOLUWQCECL-VGOFRKELSA-N 463.535 0.392 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833483323 YYVUKUKJSAXGBW-NYYYDFRBSA-N 486.635 0.768 30 20 JCED CSCC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715655 GGIVZWKUPJPLPF-LJQANCHMSA-N 453.653 0.954 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)ccc12 1835342126 LCLLDSFHEQGIGY-DEOSSOPVSA-N 481.509 0.885 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCNC)CCO2)C1 1835668139 UHVYSZKPEMVEAF-PUZWTLIVSA-N 480.606 0.912 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CC2)CC1 1835718021 DFCQCFUGDYZIJQ-FGZHOGPDSA-N 488.633 0.602 30 20 JCED CC(=O)N(C)CCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767122 CIYRIBARVDMREM-WDRHXJDGSA-N 465.595 0.955 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c1 1836258693 MMYSATNJYFDAQI-LJQANCHMSA-N 452.515 0.342 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320585 HEBIESTVGVZRIC-LAUBAEHRSA-N 497.474 0.957 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)N1C[C@H]2C[C@H]2C1 1837286794 JLULOEDRSMZYOB-VDQVMUTISA-N 478.553 0.845 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1837309006 HAJDFNHWCPGTQB-XUZZJYLKSA-N 462.591 0.375 30 20 JCED Cc1nc(N)sc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442277 VLAGAFTYVODNRO-OKFCBPFISA-N 450.565 0.575 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1837531729 VAHDOPQAEPEKAZ-WTSMWHHMSA-N 471.461 0.877 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1)c1ccccc1 1837613005 ROALUOXQPWXBDN-TYBLODHISA-N 470.570 0.233 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837700513 QWALEYFUKVHDDB-MWTRTKDXSA-N 456.499 0.328 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)c1 1838581910 VWQVRYLXSQUWAP-HSZRJFAPSA-N 477.481 0.388 30 20 JCED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1OC 1838841268 YNXVNHAUHKDFPU-AMFJNGDOSA-N 472.498 0.881 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839633622 MZBQEUBHQMUYCK-HILQUJMNSA-N 481.553 0.067 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839645751 QLHZBUCDGGQWBF-REROXQDQSA-N 494.589 0.952 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839648240 BTQCQTDPJQMCMW-DDCFWYMVSA-N 466.498 0.544 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1839810511 AJTXULHDGZEYGW-IIBYNOLFSA-N 455.577 0.678 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)OC(C)(C)C)C2)C1 1839810635 JXGFEBUVEZWWJG-CPJSRVTESA-N 487.553 0.918 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1839839915 QDNNJTMQXCZMPC-PXAQALGRSA-N 460.531 0.661 30 20 JCED C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840026597 OSZHZHRRXZZOIO-UZUQRXQVSA-N 480.562 0.364 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)ccc1F 1840193500 JDEJTCBGXWJTCG-NRFANRHFSA-N 465.503 0.514 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1840480070 MNNBDCGCFXRTTC-WXVUKLJWSA-N 482.541 0.593 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1840906447 BTZIWMYKULJGNF-YADARESESA-N 489.573 0.715 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1840908428 BHLNZNBKXKGECP-QMHKHESXSA-N 491.545 0.552 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840912797 RKPOHHAEWJVZAG-DURYTUKUSA-N 491.545 0.655 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CC2(CCCN2C(=O)C(C)(C)C#N)C1 1841137053 WMUFDKWTBJFWKN-OAHLLOKOSA-N 463.583 0.896 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(C(=O)O)ncn2)C1 1842218263 KXFKSNWLLDSLRK-CQSZACIVSA-N 457.487 0.908 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC4(CCCN4C(=O)C#CC4(O)CCCCC4)C3)csc2n(C)c1=O 1844283240 FUEICVUJJZIBAF-UHFFFAOYSA-N 498.605 0.743 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1847259902 FKHCZXXYECGMPU-AKSHVLHNSA-N 496.630 0.709 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c1=O 26640603 YYDKFGITENWVBH-KRWDZBQOSA-N 456.499 0.925 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)CC1 104983078 BCEFRNPTOCKJKI-INIZCTEOSA-N 492.583 0.247 30 20 JCED CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc21 483166484 WUKFAFFPOWUXBL-UHFFFAOYSA-N 463.498 0.710 30 20 JCED N#Cc1ccc(N2CCN(C(=O)COCC(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2)nc1 490745482 KYZSVMMXLFGYDY-UHFFFAOYSA-N 474.525 0.234 30 20 JCED N#Cc1ccc(N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)nc1 490769481 OOAUYSSKCFSGFV-UHFFFAOYSA-N 461.569 0.927 30 20 JCED CCc1cccc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccnn3C)c2=O)c1 502048911 HSILDJCHQTXBCZ-HNNXBMFYSA-N 451.552 0.849 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCCO2 514879194 MBPBWYPOZOYVIK-UHFFFAOYSA-N 476.514 0.427 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 516421841 XXBKIOSYWWUVFU-UHFFFAOYSA-N 498.569 0.457 30 20 JCED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 524676548 ZQWFENDNUBHARW-MRXNPFEDSA-N 473.555 0.406 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 608889753 YWSUVWXLDYKXDK-UHFFFAOYSA-N 456.524 0.766 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c1 615153471 VVEXUNAUPOCADC-LJQANCHMSA-N 485.628 0.503 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1=O 726042336 AIJBBZAXNANGRJ-UHFFFAOYSA-N 450.835 0.257 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 727417514 MRDQQLZGWVLFOZ-UHFFFAOYSA-N 486.575 0.474 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 728536250 QAJSTVXNLBYCQL-UHFFFAOYSA-N 468.526 0.259 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc2)CC1 728913582 COSCJKAWHFKTAG-HNNXBMFYSA-N 450.517 0.457 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCS(C)(=O)=O 729673153 FOIMLGJFQWHSPY-UHFFFAOYSA-N 499.561 0.831 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCS(C)(=O)=O 729673276 WOHOBALSIYWPJY-UHFFFAOYSA-N 478.552 0.138 30 20 JCED CC(C)[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 876701244 PMKLNAGVPJOWCV-RXVVDRJESA-N 499.611 0.767 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(OCC(N)=O)CC3)nnc12 1330533491 OITMBPDHDBBMSX-UHFFFAOYSA-N 456.528 0.815 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCOCC2)CCO1 1503773348 SNKNQIOZNBLRBF-IBGZPJMESA-N 453.547 0.879 30 20 JCED CS(=O)(=O)NCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1505147051 QWBPEZXVRIJKSY-LJQANCHMSA-N 463.543 0.443 30 20 JCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1620165305 OHENEKSCUWGSSH-UHFFFAOYSA-N 472.571 0.937 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1770343215 KDKRPZIADROXEB-JJRVBVJISA-N 460.557 0.046 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(O)cc2)C1 1770351586 USUFPAHWRGDNBQ-ZWKOTPCHSA-N 462.532 0.288 30 20 JCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1771356679 RMEFCSRQYMOEOJ-UHFFFAOYSA-N 452.562 0.379 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)c(C(F)(F)F)n1 1779089338 IVNGELRTCLOQGY-QUCCMNQESA-N 483.447 0.066 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1779199646 IDQTVIGDFSJAAB-HUWSZKMCSA-N 450.492 0.277 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(CO)on1)C2 1779424172 WWPLXUFGCMHRCL-RIWRRIAWSA-N 450.492 0.823 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)no1 1779434165 OEEZSBBJAZRLBS-BASJRXCESA-N 491.545 0.756 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780159117 VUVBJYVEAPHQEW-CYFREDJKSA-N 460.527 0.852 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCS(=O)(=O)CC4)CCO3)C2)c1Cl 1780188468 YAEUUNXLTXIGEG-OAQYLSRUSA-N 480.974 0.386 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)C2 1780738474 JSRLDZGBDGMQFW-JBYIUTFZSA-N 453.536 0.161 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)[C@@H](O)C1 1781115216 QYHDTYGBBZPMSJ-YINHDXRGSA-N 493.605 0.516 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781350117 WKPRNMHMXKBHCI-DRSNIGMVSA-N 455.552 0.683 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793581 NARYILVCZLKQLS-NFBKMPQASA-N 457.483 0.691 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)cc1 1782669896 DNMNDWNMMXWCRP-HSZRJFAPSA-N 451.483 0.895 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CSCN4C(=O)[C@@H]4CCC(=O)N4)C3)C2)c1 1782873395 TWPURYZHQVHBSE-GLDPYIMESA-N 497.577 0.182 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1783065852 KMPHIGUCNLQCKC-NFBKMPQASA-N 475.567 0.468 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1783531466 RDIBHRLWVFPZKW-SWLRZZBJSA-N 494.589 0.100 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565735 PQUJOURPBOFIKH-UZUQRXQVSA-N 461.515 0.601 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1783769553 VRECGWQCGKLRSN-UZUQRXQVSA-N 475.546 0.543 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1)C(C)(C)S 1783777333 BAFYFYYSTTVIOP-GZWGPKMKSA-N 484.619 0.697 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2)c1ccc(O)cc1 1784017858 WIMUKAQTNMEEAW-KOSHJBKYSA-N 468.510 0.271 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)NC(=O)OC(C)(C)C 1784118803 HIHFZPFAGCLUKD-BXKMTCNYSA-N 490.557 0.601 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785608130 VIWJNCGOEKFLMG-KXNSMUHISA-N 482.578 0.158 30 20 JCED O=C(CCN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1786746225 VFLXALCPKMJHRU-ISQZCQQYSA-N 452.552 0.217 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)[C@H]1SC(=N)NC1=O 1786857834 GHZKVMBKHNOVLX-OLMNGRFOSA-N 464.592 0.050 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1 1787199638 VFKYUFOMRPBONZ-HEWDHTHVSA-N 499.446 0.630 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4ccc(F)cn34)[C@H]2C1 1790470298 LVVMTLBJVOQMPB-RVKHQLRBSA-N 455.490 0.925 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1792223190 CPWATVKWRSQWTC-CGBFIWBNSA-N 477.558 0.836 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)[C@H](O)C1 1792449473 BEADPFWOEYKPLP-XQPJFTJZSA-N 461.559 0.607 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)C2 1792491092 ZIRKVYKEIKXEPW-PFIYSYJPSA-N 488.497 0.674 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1ccco1 1793933472 VQOQDTONOIGVBJ-KYHPRHEASA-N 459.499 0.969 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2n(C)c1=O 1796998217 KLBAQEOFJROIGP-OAFZBRQQSA-N 455.515 0.938 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1799331445 RQPZAKPOTKGTRF-YGBCKFAYSA-N 465.547 0.298 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800521757 NOOOTPLRAUKGPB-RPUYLAQPSA-N 450.536 0.182 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1802489189 DEQJAUPZYKRDLF-DBMCMQSHSA-N 487.557 0.789 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c(C#N)c1 1808164163 AMJMZXIUVBDAEF-UUOWRZLLSA-N 490.520 0.762 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826801169 YVXCXWGBNZRKIW-JTGQJZMRSA-N 456.480 0.189 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1)n1cnnn1 1828811063 RZNQVKDAYRPGOC-HTAPYJJXSA-N 466.502 0.600 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCN(C)CC4)cc3)CCO2)C1 1829693677 RVNGAOOHGXAWKB-QFQXNSOFSA-N 484.597 0.547 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cc3OC)C2)C1 1829769475 UYTQBGDSUJBIAW-WEHRJKGCSA-N 473.526 0.632 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907240 CEMRDPBANZTCHX-XMMPIXPASA-N 450.495 0.779 30 20 JCED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1831837382 WTXYUXXRSGQNHC-ZBFHGGJFSA-N 476.603 0.372 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1831999136 XHPPDQAQGVNFJE-DGGJZMOXSA-N 480.562 0.191 30 20 JCED COc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1832914968 IYQJGIKEAZAKIP-NHVVDLMHSA-N 473.574 0.951 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Br)ncc1Cl)CCO2 1833221740 KEMVCMSZJVURSX-GOSISDBHSA-N 486.706 0.656 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc4c(c3)CCNCC4)CC2)CC1 1833469386 SVXBTRPUEIMMGF-IBGZPJMESA-N 467.614 0.993 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565883 WWZJCOHKQWOYQR-VGSWGCGISA-N 496.586 0.497 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833714312 SWFICYGLBZDRMU-GOSISDBHSA-N 485.651 0.089 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1cccc(=O)n1O 1833961930 PURHQPKGLPNDRE-JJIBRWJFSA-N 458.563 0.743 30 20 JCED Cn1ncnc1C(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1834077450 VMGZKTHXSBXBRW-UHFFFAOYSA-N 451.531 0.951 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834240726 ZDJZBJOBAQHUPO-GAJHUEQPSA-N 475.546 0.407 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1835110165 MYPQCBKYDSDCSU-HDMKZQKVSA-N 463.604 0.399 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nnc(Br)n5c4)C3)C2)CC1 1835342603 YFVOIEOMAMCASF-FQEVSTJZSA-N 489.330 0.866 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835356699 HELQFXAQHMLKJZ-IEGUWTFLSA-N 480.562 0.364 30 20 JCED C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675598 YJIRMZQXQPMJLP-KOSHJBKYSA-N 495.621 0.885 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncncc4c3)CCO2)C1 1837022528 AVVUONIPHYNFBQ-DEOSSOPVSA-N 466.542 0.982 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837121244 GSKWPSJMVDEWQQ-HSZRJFAPSA-N 454.531 0.686 30 20 JCED CN(CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(=O)c1ccccc1 1837440733 VWIGHXIHJNOHST-IPACTHBOSA-N 485.585 0.687 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837529750 DWPDQOLRWQTFER-QGYYCOFESA-N 479.486 0.402 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837756294 WQBUEKFXKWMNDY-QHCPKHFHSA-N 462.547 0.978 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838067361 KNHUVDMVUKTTPG-RPPQRLJCSA-N 467.567 0.961 30 20 JCED CS(=O)(=O)CCC(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838391940 CJTWUTHJPBSHPA-OQKWZONESA-N 456.609 0.891 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951536 URVDTKTUJPXBFZ-SBUREZEXSA-N 450.499 0.919 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1839173701 HDCKPEXFLVJRGY-QFIPXVFZSA-N 457.487 0.309 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1839185121 OFJLJOVAQCDJKG-LLJLJFOGSA-N 496.605 0.814 30 20 JCED CN(C)C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1839401044 NWOLXTGUJULRNU-HXUWFJFHSA-N 479.331 0.479 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c1 1839451335 NVTKGODAPGDZHN-HSZRJFAPSA-N 452.467 0.650 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(C)nc3ccc(F)cn13)CCO2 1839525321 WZVRTHMDSTWYMS-POUSAUBHSA-N 485.516 0.710 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839875648 RTQWRRZBAIVOKO-HZCFWTAGSA-N 492.573 0.048 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1839881936 OPUVAKMYQKQNRH-KDLAUNOPSA-N 496.605 0.827 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042230 HIVHCXFALVPVPX-SBUREZEXSA-N 479.530 0.320 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(F)(F)F)cc3)C2)C1 1840043729 QNUWPMLOUSVTTR-LJQANCHMSA-N 456.373 0.743 30 20 JCED CC[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840043747 RRAZJDUOXLRZKS-KSFYIVLOSA-N 467.519 0.224 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC[C@@H](C(=O)OC)C3)CCO2)C1 1840144755 KQNNLMQYRNFIAD-FZONSQQESA-N 450.532 0.461 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840162994 LRGYYUDSTQQMPX-RVHYNSKXSA-N 473.592 0.445 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840166201 XUWSZVILQDIZLD-VGSWGCGISA-N 486.635 0.314 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219119 CDLAPYGMQQNXGB-FGZHOGPDSA-N 453.536 0.391 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840292056 UQPAJWKXABHFJP-NTKDMRAZSA-N 481.590 0.912 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1840480066 MNNBDCGCFXRTTC-MFSJNOQSSA-N 482.541 0.593 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815108 XFPJVZIRAZTJFR-QHCPKHFHSA-N 480.562 0.678 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)C1 1840840391 PUJCIXAGSHZULD-HSZRJFAPSA-N 475.929 0.935 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)c1 1840896453 APXXLHFRXXZLOQ-NRFANRHFSA-N 474.564 0.489 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1840907223 QUVBPMIKTNBLKC-HOYKHHGWSA-N 489.573 0.715 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2)C1 1840916253 DYXILQKGITUHFL-PZPWOCDFSA-N 475.608 0.425 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)C1 1843409814 JVVBTMTVCGMPJX-SOUVJXGZSA-N 477.587 0.909 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2nccnc2C(N)=O)C1 1844597147 VAZAQAPDKCXTKQ-CQSZACIVSA-N 456.503 0.309 30 20 JCED CN(CC(=O)N1CC2(CCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)C1)C(=O)C(=O)O 1845514130 LLPNXWPBGHKYBV-UHFFFAOYSA-N 452.389 0.937 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1847073308 FYUBQJMRAJJHBB-MRXNPFEDSA-N 473.530 0.377 30 20 JCED CC(C)(C)OC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847547909 GVLHBFUUJAXSSO-JYJNAYRXSA-N 494.545 0.694 30 20 JCED Cn1nc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccc2c1=O 22975148 CFPWTINHFWRLEZ-UHFFFAOYSA-N 451.508 0.881 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCCC(=O)OC 501765021 LKFBAIFNIHNPNZ-UHFFFAOYSA-N 463.943 0.782 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(-c2ccc3c(c2)OCCO3)c1=O 502043982 NEDLJUYLYGEYJZ-UHFFFAOYSA-N 489.513 0.816 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 514332610 ZRHNXPONHWGGAM-UHFFFAOYSA-N 455.540 0.297 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)S(=O)(=O)c1cccnc1 515070389 FJPQWKXXDDBMLT-UHFFFAOYSA-N 463.541 0.107 30 20 JCED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 521448230 GFQHBFNMOLVDBG-MRXNPFEDSA-N 454.487 0.876 30 20 JCED Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 603650642 FTKVCIHEBFBSBB-QGZVFWFLSA-N 492.583 0.961 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)cc1 608868010 OCVVMTMLTIOTCZ-UHFFFAOYSA-N 492.579 0.952 30 20 JCED CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403434 KIBHFZIJEHPXPO-FAZQNBISSA-N 481.600 0.327 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 744990843 RHWCDVJBIDPAMP-UHFFFAOYSA-N 497.489 0.407 30 20 JCED C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 878556467 IRRMEHXLSPFSLP-HNNXBMFYSA-N 464.544 0.485 30 20 JCED CN1CCN(S(=O)(=O)c2ccc(NN=C3C(=O)Nc4cc5c(cc43)OCCO5)nc2)CC1 916332885 IDFUQJYCFWHUIR-UHFFFAOYSA-N 458.500 0.557 30 20 JCED COCC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918273039 ADNCGMWECCJLGK-MOHJPFBDSA-N 479.559 0.192 30 20 JCED CN1CCN(CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1 918279197 OBIZRURFQQSSPK-YYADALCUSA-N 492.646 0.972 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N(CCCN2CCOCC2)Cc2ccncc2)cc1 1293138436 VXBBHCMBUCVDGP-UHFFFAOYSA-N 457.556 0.983 30 20 JCED N#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 1308014589 UKUDZEIOASTDTM-UHFFFAOYSA-N 457.959 0.843 30 20 JCED CCOC1CC(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)(N2CCOCC2)C1 1467651013 VOEFYWDYXUGVFF-AFJQURTJSA-N 450.561 0.611 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1503264996 OLNBDJXDZSDQBQ-UHFFFAOYSA-N 466.589 0.723 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1539803199 GWPIHSWHOAVLMJ-JKSUJKDBSA-N 471.971 0.675 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ncccc1N(C)C 1541943528 YDHYKDOSDLIZDY-NVXWUHKLSA-N 473.607 0.574 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1692736726 NMVFAPPCHLQRLB-DLBZAZTESA-N 459.576 0.967 30 20 JCED CCS(=O)(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1729224420 LOMKUKAFAPDOCX-FQEVSTJZSA-N 474.522 0.573 30 20 JCED COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1729763188 MAFMGKOLUCNWPQ-FQEVSTJZSA-N 451.531 0.980 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747603764 RXBQOZZTXRHVKG-UHFFFAOYSA-N 469.575 0.768 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777711698 KDKSEKDVEDMYMV-WRWLIDTKSA-N 470.617 0.920 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)CC1 1778115579 MXTGLYMVMBLXPB-TWKPZUECSA-N 495.623 0.989 30 20 JCED Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn2[nH]cnc(=O)c12 1780021554 BBKBQHCKGXQWDW-XMMPIXPASA-N 476.493 0.725 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1780331428 USWWQVYCOBVREX-MBSDFSHPSA-N 473.530 0.966 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1780386613 FMSXIYXBRKOBNA-QHCPKHFHSA-N 451.531 0.993 30 20 JCED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)cc1 1781010697 IQKLLPIEKSXMJP-NTKDMRAZSA-N 475.509 0.925 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c1 1781147703 LAEQOYFXUSOUGG-YZZKKUAISA-N 453.499 0.592 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783152775 VUKNHMQMTKYCEU-KSFYIVLOSA-N 452.552 0.941 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1783166543 HZIVPGIUGUFDGQ-HKARXFIJSA-N 464.563 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21 1783529236 HXWLIDRTBWEOFM-FFXVLIFUSA-N 452.515 0.269 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C[C@@H]21 1783531692 RUKBSIRHWCIDPT-XCJUWTOUSA-N 468.510 0.559 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1)C(C)(C)S 1783781587 KOIYHGCDTXSDEJ-IERDGZPVSA-N 472.608 0.684 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1785375510 CSJKLRPDDIKRCK-LMKMVOKYSA-N 493.520 0.773 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376850 XPHQZIAXJAEHRZ-KKSFZXQISA-N 464.544 0.095 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1788469911 RCNRNHFNMZPXMV-QUJKESNLSA-N 463.918 0.736 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788602257 UPVHCUYOWFPANF-IMTGIILBSA-N 499.612 0.617 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4CCN(C)CC4)C[C@@H]32)c1 1789256046 YHLDOOISRBCQNM-VJBMBRPKSA-N 469.586 0.798 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(O)nnc4O)cc3)[C@H]2C1 1789272881 NUVOXEKGAINWPC-CBVHJVASSA-N 469.498 0.310 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21)c1ccc(O)cc1 1791331349 UWGVBFASTQHABP-XYYCENQHSA-N 482.537 0.467 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1792256714 IJCNJBMAIUEXLT-XPYUAMARSA-N 476.530 0.677 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccn3)C[C@@H]21 1792261265 FXLADWJMAXVDFY-DWRORGKVSA-N 457.531 0.987 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1Cc3ccccc3C1=O)C2 1792489086 DYAAGRAWKILMCY-BSQMBTRLSA-N 466.538 0.481 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1793360535 RWRDFODQLAGWMK-ZBLLQYKHSA-N 467.563 0.537 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H]1CCc2nc(O)nc(O)c2C1 1794113299 NGWICTXJTIFVAL-VELUKZMGSA-N 489.529 0.111 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(-c3cccnc3)c1)C2 1797739120 WAANUGSSAFMWHA-ZDNDXLTCSA-N 451.531 0.942 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)NC(=O)OC(C)(C)C)c(C#N)c1 1799683639 IISQOJKEXVFVJG-AXRVMRSRSA-N 488.541 0.542 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)cc(C(F)(F)F)c1 1799783680 VYWQTSDTYDXLKZ-IARIHHJXSA-N 479.415 0.378 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(C)=O)C2 1800982059 VWEGGPXEHCSHNU-YVSFHVDLSA-N 454.524 0.401 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)C1 1801051860 RQBASQLKKOJYMX-CPBBTPEFSA-N 450.536 0.498 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2)NC(=O)OC(C)(C)C 1801930141 VMNHLKVKEIRCAB-ISIBIEBGSA-N 466.579 0.947 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@H]1c1cccnc1 1802479131 YGSFTTCSGBYBBZ-GLPQSPQZSA-N 464.482 0.748 30 20 JCED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1806617421 LTWNKFYRXAFCLB-PGRDOPGGSA-N 468.477 0.579 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812877876 BWNSGPXEYMIXDF-MBOZVWFJSA-N 474.514 0.715 30 20 JCED CN1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=N/O[C@@H]2CCCCO2)CC3)CC1 1818799840 HZNQJQSNZUEUHI-CAEKMKARSA-N 464.592 0.832 30 20 JCED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)CC2 1825024697 RDUZYECLJHWDOG-LLVKDONJSA-N 482.526 0.828 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1cncn1 1829391879 RJVTXYBMKHEGSJ-HOYKHHGWSA-N 494.508 0.379 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CC(=O)C1)CCN2C(=O)OCc1ccccc1 1829459596 XZLJFXAYFVKMAF-XMMPIXPASA-N 467.478 0.506 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1829762559 LXBOQVCIWPDZOF-KIJNXJJSSA-N 496.564 0.174 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NNc3ccccc3)C2)C1 1829762811 SFIREIFTASNYNZ-ZLWFTYKOSA-N 471.558 0.306 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)cc1 1829904019 KFCSSYMGFJXWSW-QHCPKHFHSA-N 465.466 0.359 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830063232 KJOIGMOJIUPXQR-UZUQRXQVSA-N 480.562 0.628 30 20 JCED Cc1noc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)n1 1830459408 WIBKSENRZOPQBO-HSZRJFAPSA-N 453.499 0.881 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1830885759 KDFJOVFQSCZRND-SBUREZEXSA-N 478.546 0.571 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831330843 WJUNIZQEFVJTAA-HTAPYJJXSA-N 478.571 0.265 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(N3CCCNC(=O)C3)n2)CC1 1831666026 BOTZMPXJHDGKEP-FQEVSTJZSA-N 481.553 0.729 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831728732 FDJXWIHQROPQDX-WAIKUNEKSA-N 491.545 0.722 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1833400485 WFQWKUJTAAKKBS-NRFANRHFSA-N 473.511 0.069 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680054 DMFOVYFQRMXBRO-HAKLDRHFSA-N 487.557 0.495 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCC(N3CCC(NC(=O)C#CC4(O)CCCCC4)CC3)CC2)no1 1835753430 QDLIJIGKJBJJHW-UHFFFAOYSA-N 499.612 0.983 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1836697665 RATZILFNNAWZQP-KOSHJBKYSA-N 493.557 0.568 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837296333 CCMYMLVDLDGITK-VWPLMULRSA-N 485.541 0.649 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cc(O)n1 1837529515 USQYXZPYHCWXGK-NOIVPASESA-N 462.503 0.695 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530630 OHPSGOYNCVDGHE-KHLKKOTKSA-N 454.524 0.773 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1837559982 GJAQMLSDIOFILP-JJDHCWFKSA-N 457.483 0.940 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838567510 AKPJQMWITTWLQM-CVDCTZTESA-N 480.583 0.860 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)c4ccco4)C3)C2)c1 1838578706 NKFUQPPOQAWADT-NFBKMPQASA-N 455.467 0.963 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)[C@H](C)O3)CCO2 1838586108 XUHLEIGPWNRFFB-JJFYRIPOSA-N 498.536 0.334 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn(C)c(C)c3Br)CCO2)C1 1838768252 FTKYPBOBWWTRMZ-MGPUTAFESA-N 483.363 0.599 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838796241 UEYCYRQSWQALST-CYUILNSLSA-N 481.557 0.809 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1839173947 WUBARRLEWFMQJG-YKSBVNFPSA-N 458.511 0.956 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839209590 ZJHOTKQGXZNASJ-WZONZLPQSA-N 465.547 0.132 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)ccn4C)C3)C2)c1 1839453092 NVNPNSWQYWCCHI-XMMPIXPASA-N 450.495 0.949 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839624555 JHXOFPZXSRUOEZ-DEOSSOPVSA-N 485.516 0.637 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1839839717 KLKOTMRLKPYMQV-JTSKRJEESA-N 465.572 0.908 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1)c1ccc(O)cc1 1840220872 HKYUQPWYXKNEKW-AVRWGWEMSA-N 496.520 0.861 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1)NC(=O)OC(C)(C)C 1840796014 NYNYONZYMZJFTE-HXOBKFHXSA-N 482.578 0.391 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1840906938 MDZFWVVPPXZCMJ-VFNWGFHPSA-N 479.559 0.525 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)cn3)C2)C1 1840907189 PZIUSQOWNAYBAD-HOYKHHGWSA-N 487.557 0.772 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1840909121 NCWWFQDDOBYWNR-QVKFZJNVSA-N 463.491 0.056 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C1 1841748949 CSHCMCPDYUYXJR-HRSJTUSDSA-N 464.563 0.976 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843331305 IBHYRKJYEQDBPU-GOSISDBHSA-N 470.526 0.996 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCc2onc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)c2C1 1846195325 BVMSHIXWDNRLCR-CQSZACIVSA-N 472.498 0.962 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2)C(C)(C)S 1846301014 KXOPNXCSTZTBHX-TZMCWYRMSA-N 483.591 0.390 30 20 JCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1846372145 KZPJZYDSQUPYOY-KBPBESRZSA-N 457.597 0.850 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)c1 1846561154 UMHVRFRGWAQWCP-HXUWFJFHSA-N 450.499 0.854 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847089815 GIZDKNJPIAFFCW-CABCVRRESA-N 453.540 0.759 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1847805996 ZFJNTRJCNXIMHY-ZONLJJFTSA-N 469.538 0.999 30 20 JCED COc1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1S(=O)(=O)N1CCOCC1 490769487 OOVWFATWRJIJBC-UHFFFAOYSA-N 471.539 0.945 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(-c2ccc(C(N)=O)cc2)c1=O 523255679 BUERUBIFFHNHHD-UHFFFAOYSA-N 470.514 0.873 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccccc2F)c1=O 524281468 YXGKGCPQLFOAHD-UHFFFAOYSA-N 486.550 0.740 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C1CC1 590998492 LACSOIDUZMKQKG-UHFFFAOYSA-N 459.524 0.536 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 603795787 RXZBHZCSRKRUNC-UHFFFAOYSA-N 472.523 0.606 30 20 JCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119030 CAQSMCHWMJGZRW-CQSZACIVSA-N 463.581 0.377 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O 608911304 ZQGRLNBBCJUUHA-UHFFFAOYSA-N 482.484 0.611 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3C[C@@H](O)CN3C(=O)c3ccc(F)cc3)CC2)o1 725953785 ULWSKDQLUKJQJL-IEBWSBKVSA-N 485.472 0.461 30 20 JCED C[C@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 729790267 WBCSLZQPEGWPSL-ACNSNUFOSA-N 451.549 0.275 30 20 JCED COCCN1C(=O)/C(=C/Nc2sc(C(=O)OC)c(CC(=O)OC)c2C#N)C(=O)NC1=S 730971545 WCOFOURYELJBJO-DHZHZOJOSA-N 466.497 0.307 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 762918520 UNVARNUBUAJUBM-UHFFFAOYSA-N 490.332 0.639 30 20 JCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 838235360 GZFLXQNXOZAMAM-UHFFFAOYSA-N 459.524 0.569 30 20 JCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2I)c1=O 917353183 IXIAGZAOTATQGW-UHFFFAOYSA-N 451.289 0.833 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 921172307 PVXGUIOMDVQLQF-MRXNPFEDSA-N 459.480 0.992 30 20 JCED C[C@@H](CC(=O)NCc1cccnc1N1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1142670660 MAELFTDVVVSZMT-INIZCTEOSA-N 456.572 0.967 30 20 JCED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1=O 1301859284 BCTMJESYVZMHRP-SJLPKXTDSA-N 451.531 0.979 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)C(C)C 1541674047 MVWKUTXZEVCBIE-UHFFFAOYSA-N 453.551 0.782 30 20 JCED CC(C)NC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1541697705 PARZVFWVFNGGHK-HNNXBMFYSA-N 492.581 0.750 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1545929191 SHHJZIQQSABFHO-HOCLYGCPSA-N 453.569 0.207 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1554451528 IVOXTTNCZFWASK-RTBURBONSA-N 488.570 0.647 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1555194469 OMGLYFWVWXDOHO-IKVWTGGYSA-N 482.607 0.793 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCCCCC2)C1 1555813361 NNSHIJAZEWXASN-UTKZUKDTSA-N 497.597 0.846 30 20 JCED CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1556883944 ITYYISAOCCPHOY-HNNXBMFYSA-N 456.590 0.745 30 20 JCED CSC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCC1 1620225063 YJTRTPHQZAHNIF-HUUCEWRRSA-N 456.594 0.625 30 20 JCED N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)CC1 1620357728 NVBQHTCBTBZCCF-INIZCTEOSA-N 456.594 0.346 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722481406 YNWAUBUZSSWBLY-RYUDHWBXSA-N 462.374 0.353 30 20 JCED CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1728629958 RGTUAUOFOFSDLJ-FPOVZHCZSA-N 471.654 0.866 30 20 JCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1731191115 ZACSMHXGDAOBRT-JSGCOSHPSA-N 475.497 0.035 30 20 JCED CS(=O)(=O)c1ccc(OCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1750192562 ZEQXDUAJFJUIJV-KRWDZBQOSA-N 474.543 0.612 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCn1cc(Cl)cn1 1751231441 SXCAYNPRINCSCK-BBRMVZONSA-N 467.987 0.615 30 20 JCED CC(C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1761245944 PZKANWKGAIKRFX-KRWDZBQOSA-N 480.577 0.806 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1766945473 MGEPRXVKQCVVQG-UHFFFAOYSA-N 467.559 0.825 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1778136392 MDYOZRCUAQFWKW-RNHFSVANSA-N 499.520 0.066 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1780738067 PPVKNLHTYKRGBI-NTKDMRAZSA-N 487.557 0.654 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1781167409 CAGDXFHBUMVOMW-GGUMNFRJSA-N 493.605 0.106 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COCCO)CCO2)C1 1781295297 MIKXNKRATSEEFM-VGSWGCGISA-N 455.552 0.685 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1781313226 PPGDWMLKLPDSII-JPYJTQIMSA-N 473.530 0.356 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@@]3(CCN(C(=O)COCCO)C3)C2)CC1 1781320557 KIVJQNFAVTVCCG-HSZRJFAPSA-N 480.562 0.366 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@H]2C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783452900 RRVNILYYDONSBR-BXKMTCNYSA-N 491.541 0.178 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783566917 ARKCIXYMEQAJQO-UOKFIYJESA-N 491.541 0.320 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1783848355 XQLZWBVUZCKNHW-QYPKUEOCSA-N 479.537 0.659 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784195962 TYVBBGIAWVVWBU-BCYZHJNNSA-N 467.563 0.280 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784284361 KVUVRRCHTDNDBH-FJIDUMEYSA-N 478.546 0.335 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1785575035 XBWMAPFWUQTJAN-HOYKHHGWSA-N 472.542 0.595 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1785576908 QJOSUGBETBZGBK-MHECFPHRSA-N 472.542 0.745 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785646504 MXPUHHAQRGFVEW-FTRWYGJKSA-N 465.466 0.719 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1)c1ccc(O)cc1 1786792036 GKNCXRSMHHMUGL-ZFMNYDKASA-N 493.497 0.594 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788659318 XUZLQWAYZFKNFD-RSNWXYCUSA-N 453.540 0.203 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)C[C@@H]32)c1 1789343203 SCMGPNLXWRUERB-PWDMQXDWSA-N 466.498 0.486 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CCC4)C[C@@H]32)[C@@H](O)C1 1789809339 HMWKZFUAYPRPFY-VMXHOPILSA-N 476.574 0.888 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(=O)nc6cccnn56)C[C@@H]43)c2c1 1790327547 RLIUSRCMCHTMQM-KNBMTAEXSA-N 498.503 0.745 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1 1791077555 IGAHAYDYXOICHE-IHPCNDPISA-N 471.510 0.159 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(C)=O)C[C@@H]21 1792258881 SBBLYXUZNVJBQE-OKYOBFRVSA-N 464.563 0.409 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[S@](=O)c1ccccc1)C2 1792490395 QXVOIBAPMUIDEB-DSEQXRGGSA-N 459.568 0.631 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CN(C(=O)OC(C)(C)C)C3)C2 1793342437 OJYMADHXFYQLJM-OAFZBRQQSA-N 487.557 0.902 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793604413 GXVWVGSKHXPOQF-FCGDIQPGSA-N 493.605 0.494 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNCP(=O)(O)O 1795962567 AEOXSVAYMGDCNB-FZKCQIBNSA-N 474.495 0.819 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798589404 IYINBLAHSRRAFL-FRQROOTJSA-N 468.963 0.743 30 20 JCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799062864 XEGKFCUCCZADNI-UPHUGPLXSA-N 486.594 0.624 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1799305189 UQOKXCVFGLFTRH-STEXWYFWSA-N 495.573 0.456 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2 1799321436 BKYSDNUUJNIGLL-CWQOZTLDSA-N 481.594 0.882 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1799322895 RQZRPRDTWYCBSR-ZMMAXQRCSA-N 462.551 0.727 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799708512 XHWLUNDGHRSMFG-FSDCSDTHSA-N 478.347 0.971 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CC(N)=O)C3)N(C(=O)OC(C)(C)C)C1 1801101995 UIDIDIDMABTARV-QLCXLMDBSA-N 464.563 0.653 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2 1802125842 XTSRXWWMWYVVAI-CLWJZODNSA-N 482.541 0.849 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1802127697 WTOXTWKVFZYHJG-SFNKJDCFSA-N 460.535 0.174 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1802477623 QPQVMTOZOGCZGE-CHBUMTKESA-N 467.486 0.751 30 20 JCED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(CCO)CCO)C3)cc1C#N 1803845418 GUOILFQSPNTIHQ-WKCHPHFGSA-N 458.559 0.884 30 20 JCED N#CCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806289509 PFUCFNUPXQECHP-YZLZLFLDSA-N 470.555 0.181 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1806851416 HNIQYPZUGKLMBK-DLBZAZTESA-N 489.573 0.732 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807943623 GUYGKYQVTCRXQG-JQFCIGGWSA-N 456.532 0.482 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cnc2s1 1812877654 OGPZTEZSVUCQSK-KXBFYZLASA-N 465.491 0.867 30 20 JCED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC3)c1 1822024034 FDVAMMRUAZUTHJ-INIZCTEOSA-N 473.580 0.971 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCN2C(=O)OCc1ccccc1 1828578942 FQNHAQORMUNEFX-MBSDFSHPSA-N 490.582 0.400 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1828585752 ZDZVUMWBHSSBCE-AVRWGWEMSA-N 497.552 0.906 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)CCN2C(=O)OCc1ccccc1 1828909499 AAJUDDXCRCFFDL-QHCPKHFHSA-N 475.567 0.897 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)[C@@H](N)CN)C3)C2)CCC1 1829451488 JHWCKALYBJDGJF-YADARESESA-N 468.558 0.418 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)CCc5ccc(C#N)cc5)CCO4)C3)CC2)CC1 1829634815 ZACGMYYAVKURPR-AREMUKBSSA-N 495.624 0.727 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)cc1 1829901454 BWUUIVBSMHGMCJ-JOCHJYFZSA-N 453.455 0.072 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1830059745 KOSVKBXUOVTKBF-NRFANRHFSA-N 460.443 0.943 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1830643182 ZFYCEZAXTWEMJO-XMMPIXPASA-N 471.558 0.855 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1831386899 KPXVWBOANKZGLN-AFMDSPMNSA-N 497.548 0.558 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1831387861 RVRFDELEJCDAMH-MHECFPHRSA-N 471.510 0.479 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)C1 1831388318 QHIMUKXVBVAEMJ-OSPHWJPCSA-N 454.479 0.901 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1831399144 PYYBTUYUYXJEMK-CJFMBICVSA-N 471.554 0.632 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2)C1 1831419581 NNWRUGGJUGYSRW-XMODTWTHSA-N 499.605 0.962 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1831425961 XXJRCLMTQOTEIJ-LHSJRXKWSA-N 461.544 0.935 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833073797 HHYXSJJHPATEJX-ARJAWSKDSA-N 470.530 0.218 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756359 UWAUELMLDFXGSX-CYFREDJKSA-N 487.557 0.887 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1834763755 WYRBTZHZPXNNBG-HSZRJFAPSA-N 464.482 0.481 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1835101471 BPRMJZSFVMCIRM-XLGIIRLISA-N 465.550 0.896 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1835710522 QNSJSXAYERBNGN-HIQXPHMNSA-N 460.579 0.978 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835891648 SEEXMOAHBSPSBG-NTKDMRAZSA-N 480.606 0.748 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1837401209 VMUBTRUHEUWYKZ-NLFFAJNJSA-N 490.553 0.479 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)c(C)n2n1 1837443950 UYBRQOGQIFXTMV-UUVZMSSXSA-N 484.561 0.283 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837491145 VMKWVAALJDZSMR-QFIPXVFZSA-N 460.487 0.692 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837527652 RTIQAZZVDGAAFN-OBKNTDCBSA-N 479.559 0.554 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837531296 HVQUQGWAXARPMM-REWVYZQPSA-N 462.503 0.689 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nn1 1837566842 OWWWKXZTELXINT-JBMWNJKUSA-N 458.519 0.815 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)nn1 1838352170 DNYLYZVEWAHIEQ-QHCPKHFHSA-N 451.483 0.935 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C3)C2)c1 1838581753 NEPGJAOTUSZGDV-MWTRTKDXSA-N 458.515 0.504 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn(C)c(C)c3Br)CCO2)C1 1838768254 FTKYPBOBWWTRMZ-QRWLVFNGSA-N 483.363 0.599 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839082646 OKPKNHTZRVPRSJ-SWYRRKHMSA-N 487.597 0.542 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1839185368 XSASAODMSZFOHY-MWTRTKDXSA-N 493.561 0.178 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)c1 1839420625 UQMWECFUCAOFLK-IBGZPJMESA-N 455.389 0.877 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](N)c5ccccn5)C4)C3)c2c1 1839488075 VXWGCFXYHBDZSE-HYBUGGRVSA-N 475.509 0.600 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n4ccnc4n3)CCO2)C1 1839549210 TUAJZXFKBODMEN-FDDCHVKYSA-N 457.531 0.681 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3c(C)cc(C)nc13)CCO2 1839625622 CKINMPHCQIGMNM-UOUGDEPUSA-N 481.553 0.880 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839723937 ZLBGHJIZSDEJKV-UOKFIYJESA-N 489.573 0.878 30 20 JCED C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042893 UUTBJRDMSVWVQU-VWQFJMCTSA-N 493.557 0.566 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1)c1ccc(O)cc1 1840221789 KJOPPOJIPZRUJQ-RLWLMLJZSA-N 483.565 0.968 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1Cl 1840230735 SPUUIQAZMXYOOX-IVZQSRNASA-N 460.918 0.808 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840370338 UTKQHKREDFPKIE-RCZVLFRGSA-N 494.552 0.028 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1 1840815913 IZKSNKWSHCUJOI-XMMPIXPASA-N 454.527 0.875 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840819237 XOWQULBRIPKQNC-HSZRJFAPSA-N 453.451 0.660 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)C2)C1 1840844306 NYQFAVHFZQQFRV-PUFAWVJESA-N 491.585 0.881 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840856304 KWXHBLSCTQVOIR-HYBUGGRVSA-N 474.533 0.879 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1840881118 DFEAEUKWFFXXGU-KFVKGYIZSA-N 468.466 0.787 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C(C)=O)C2)C1 1840907255 SJZSTFTUCSFMDY-HOYKHHGWSA-N 479.574 0.975 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2 1841601924 JCKLIQWAODXUDW-MSOLQXFVSA-N 478.590 0.990 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841892130 XQRSIPIPPVHGPD-GOSISDBHSA-N 483.525 0.613 30 20 JCED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1)NC(=O)OC(C)(C)C 1844298464 SHHBHDXHGZPYBM-IEBWSBKVSA-N 466.579 0.700 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CCCC34CN(C(=O)C#CC3(O)CCCCC3)C4)csc2n(C)c1=O 1845014325 VOUJWVPZLYVXCY-UHFFFAOYSA-N 498.605 0.743 30 20 JCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1846371202 GRGUDAXNCKIVLX-UONOGXRCSA-N 463.622 0.836 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1847240191 ZSDROLYEEYPSFC-KPAKZDMISA-N 476.574 0.665 30 20 JCED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 518154747 FDRSGCCLOUUANB-MRXNPFEDSA-N 481.600 0.598 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1ccc(OC)nc1 524275082 JKSDIFZLLXCNSB-UHFFFAOYSA-N 498.517 0.256 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O 524281445 XOWDZFBSHPCDIT-UHFFFAOYSA-N 453.343 0.001 30 20 JCED Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 549845345 UMSBAAYUJLNJMQ-UHFFFAOYSA-N 476.580 0.987 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CC(N)=O 608912476 SWUPNDCSNCBSCN-UHFFFAOYSA-N 488.953 0.335 30 20 JCED CSc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 608913074 RARYXRYNIMBMSG-UHFFFAOYSA-N 480.637 0.209 30 20 JCED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 726576828 BVZPTVFWDUIEIM-UHFFFAOYSA-N 450.501 0.428 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1=NS(=O)(=O)c2ccccc21 728219938 SWIPZQNBFRXQDL-UHFFFAOYSA-N 487.563 0.472 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCS(C)(=O)=O 729671490 PKOJPKQXSQATBQ-UHFFFAOYSA-N 451.545 0.431 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1C1CC1 839381603 RVKJSFGWWHJPFO-UHFFFAOYSA-N 461.547 0.851 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 915200838 MGVQRRXIQQKNMN-KRWDZBQOSA-N 471.539 0.994 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(-c3cccc(S(=O)(=O)N(C)C)c3)c2=O)cc1 916193356 HYWCLHKOGJXQLJ-UHFFFAOYSA-N 494.554 0.963 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3OC)c(=O)n2CCOC)CC1 916199460 GWNOXCDWKASRDM-UHFFFAOYSA-N 486.594 0.241 30 20 JCED C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918261640 XSRUCEZEIPIWAW-ACNSNUFOSA-N 451.549 0.275 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 918423952 IYZQJPHQYTXCKS-CVIUTVQRSA-N 499.615 0.226 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 918585525 JEFCTNNDZJZYHZ-UHFFFAOYSA-N 474.495 0.613 30 20 JCED CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 918817766 SUMNBWZXOALSLN-UHFFFAOYSA-N 478.571 0.781 30 20 JCED Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1314916899 POMGTYSFVGQUCT-INIZCTEOSA-N 455.548 0.759 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1633446989 UMZFAGNMAWTHLQ-QFBILLFUSA-N 455.540 0.689 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)CNC(=O)C2 1722556165 OQNRJUNDPRZYCB-AWEZNQCLSA-N 458.972 0.470 30 20 JCED Cc1noc(C)c1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1726421433 AIKQNAJSVHMQLA-YOEHRIQHSA-N 462.580 0.912 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1727654589 SCOYQMCLQACUQA-HXUWFJFHSA-N 450.547 0.696 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CCO1 1729679506 ISDPXQIUMUUQGV-HXUWFJFHSA-N 453.547 0.615 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(=O)N1CCOCC1 1741918064 OHOHKOQAYOVNQA-KRWDZBQOSA-N 499.597 0.912 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1=O 1771127175 SCPIXBVBSSUXIC-PKOBYXMFSA-N 472.571 0.935 30 20 JCED N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCN2CCCS2(=O)=O)cc1 1771533060 XNXRHZYWVXEUSU-QGZVFWFLSA-N 457.560 0.944 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(N3CCOCC3)n2)C1 1778267861 PTYOEQQHPFYFLR-VYRWMODBSA-N 497.596 0.904 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1778978158 DLXXEKYSWMIDCJ-HKARXFIJSA-N 469.579 0.665 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337813 JSCUICWSRXIXMX-SBUREZEXSA-N 489.529 0.786 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781055314 UESMIHQMHJWQKO-GVIUGMIUSA-N 462.547 0.746 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CN2CCCCC2=O)CCO3)c(C#N)c1 1781177244 VETDZPOAYPPWPI-DEOSSOPVSA-N 454.527 0.952 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)[C@H]1CCCS1(=O)=O 1781654844 OHTSPISDNRSZAY-SJMJVDTDSA-N 454.593 0.549 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(F)c3I)C2)C1 1781784042 QKCOWCRDOIKOPV-GOSISDBHSA-N 486.237 0.962 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1783478823 QJUUPVIYIRSJPU-FSGKZVOOSA-N 463.575 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)C[C@@H]21 1783531226 LFCVWTZBMMHKKB-FVABCNOBSA-N 452.555 0.539 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1783584523 ZZQNQACUBJMECM-NANGKKJLSA-N 462.547 0.879 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783680070 WESPNPLJYXNDRU-QAETUUGQSA-N 452.552 0.792 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783681404 FGYFESAKGANIJP-NRFANRHFSA-N 460.593 0.432 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1784483077 ZATASDFWJAWTKV-IGGJEDBVSA-N 452.511 0.797 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1784601546 RUOZKSLFZPHUAA-WCAVRKLYSA-N 452.515 0.967 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1784784138 GBLZHOCYXHHVJR-FJIDUMEYSA-N 490.557 0.361 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1785577631 RHCAKQXYEANDMQ-BTYIYWSLSA-N 478.575 0.643 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785608132 VIWJNCGOEKFLMG-NXHTTZLHSA-N 482.578 0.158 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786725040 BEPLZLNMAPSFSH-YWSDPWDBSA-N 492.617 0.768 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]4C3)ccc21 1786858468 UBKWRFNGXOSPCV-WFXMLNOXSA-N 482.585 0.752 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1 1787392828 UOWIOQSNPOIDSL-ATIWLJMLSA-N 455.552 0.443 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1788630306 ZPKICERJODYSJC-ACRUOGEOSA-N 468.554 0.490 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1789950252 YVVDTINGPGCULQ-FKBYEOEOSA-N 466.575 0.466 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1)c1ccc(O)cc1 1790911649 KIDCNCPUDIXXEE-KJBBBAAKSA-N 487.597 0.156 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1791101845 DJRUQLQONQKPKJ-YXMSTPNBSA-N 473.592 0.741 30 20 JCED C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)[C@H]2C1 1791192545 SJZNCOJMHCXFLV-OLMNGRFOSA-N 459.609 0.949 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4C(=O)C=CC4=O)cc3)[C@H]2C1 1792072335 XQUSSXYNROJGIT-GIUOSPMZSA-N 465.506 0.748 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1)N1CCN(C)CC1 1792423745 IYZZUZSQOJTMCM-IVDSKFSHSA-N 453.587 0.716 30 20 JCED Cc1cccc(C)c1N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1=O 1793872678 UOENXMGKEYOVKZ-QSNWEANLSA-N 453.495 0.334 30 20 JCED CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)n1 1794280309 JSHPBNPORNJRAC-OPMZPASUSA-N 454.527 0.942 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)ccc1Br 1795288127 OUGCLRBCTOLSMK-KPEUIFRASA-N 461.316 0.803 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)CC2=O)c1 1795597690 UWSGHMPZTBATFK-CROMWVBPSA-N 497.596 0.920 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cccnc2)ccc1F 1796399825 PSXJZEUJXXMOOG-QRICJDHISA-N 451.502 0.794 30 20 JCED O=C1CN(c2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C/N=C/c3ccco3)n2)CCCN1 1797836287 JJXXRWQHEPQFMA-GCMSJHEWSA-N 494.552 0.323 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-n2ccnc2)ccn1 1798727057 RHAFVRALIXMVKC-XEMDLRDOSA-N 451.531 0.752 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1801286666 LLFQAHLAKWKJKX-NPDDRXJXSA-N 464.526 0.426 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801440257 XWBDTCOIMWAMOY-UYTYNIKBSA-N 477.566 0.683 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1802125824 VZDUNMPRSLYWNF-CLWJZODNSA-N 487.557 0.785 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1802478907 UULWRRXGCRNPBX-BMBFMOIQSA-N 477.587 0.274 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]1c1cccnc1 1802480113 ASHGXFXZUXUNBE-MNMRVAHBSA-N 486.525 0.441 30 20 JCED C=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)[C@@H](N)CN)C3)C2)C1 1828488407 USIUWTCFWXAGRA-GBXCKJPGSA-N 455.559 0.691 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn[nH]c1)CCN2C(=O)OCc1ccccc1 1829072483 NGOVCJSIQSMBSN-QHCPKHFHSA-N 465.466 0.563 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cncnc3)C2)C1 1829332480 NOZSIYCZMNLCIZ-XMMPIXPASA-N 477.477 0.630 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)[C@H](O)C1 1829690524 BSNXIQXBTJDZAQ-HOOSLVGPSA-N 494.589 0.610 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)C2)C1 1829762967 VFYXGJGUXXOCBZ-KCLVWISNSA-N 494.589 0.462 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831202980 XAERMXSRTSKVJN-VWLOTQADSA-N 486.569 0.872 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)CC2=O)c1 1831207457 LRVWVPJDNHYBOL-IBVKSMDESA-N 481.549 0.918 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831392279 CYCUYWLKFFTPLB-JXQFQVJHSA-N 495.573 0.117 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3C)C2)C1 1831403207 ZCNSXLBGRVQVPX-KOSHJBKYSA-N 458.511 0.890 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)COC)CCO2 1831638977 ITNUMWODVIROFO-STSQHVNTSA-N 467.563 0.642 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1 1831997730 FPYLKPWDMIKZEE-JPYJTQIMSA-N 485.578 0.575 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@H](NC)C(=O)O)C3)C2)c(O)n1 1833698927 PTYSVGVCZZBWMJ-MBSDFSHPSA-N 476.530 0.039 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3nc(C)c(C)[nH]c3=O)CC2)CC1 1833938245 GUDMYFZNNDOOKE-WAYWQWQTSA-N 470.574 0.430 30 20 JCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1834528441 MOUWCDAGBVJHEP-OBKNTDCBSA-N 463.491 0.084 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1836215919 RNNIPHSWWLFZIC-HOIFWPIMSA-N 453.536 0.389 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)CCO2)C1 1836259679 JSVXPGOAGLAASE-DFBJGRDBSA-N 499.568 0.541 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c(C(F)(F)F)n1 1836322013 VRPANTJTOHJZPK-HXUWFJFHSA-N 478.431 0.939 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)cc1 1837254963 YUNJZWZTLWMTBW-IBLIISRWSA-N 452.511 0.657 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1837403066 HMAUPQZMOKCDGR-BWKNWUBXSA-N 472.586 0.413 30 20 JCED COc1ccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837441249 YFQCFZLOQUHGPB-NHVVDLMHSA-N 473.574 0.951 30 20 JCED COc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1C 1837441783 FZEPKGQGFCVRJK-RWOVVYLESA-N 459.547 0.940 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529706 CHWWSVSUHWWYSX-GNKUFIOOSA-N 493.557 0.727 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)no1 1837545677 NNNZPXTUSXJNMY-VWLOTQADSA-N 495.536 0.674 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)CCO2)C1 1838480922 QSZZBOLLOPIESD-GKVSMKOHSA-N 479.537 0.679 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc5snnc5c4)CCO3)C2)c1 1838510191 YEFFSDZQCQGNQR-HXUWFJFHSA-N 453.484 0.670 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)Oc1ccc(C)cn1)CCO2 1839051948 LSQJGGKQYLHDMK-XMYAASDLSA-N 486.569 0.862 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839108937 VDQQAKDBFBTDPG-FQEVSTJZSA-N 456.534 0.434 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)NC=O)CCO3)cc1C#N 1839165169 BDAKDIONIDDTCK-HXOBKFHXSA-N 458.515 0.550 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1839175911 KZDLSQMKJSUGPN-VWLOTQADSA-N 487.553 0.772 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)c1 1839420482 LUBDSOMIMYJVSY-QFIPXVFZSA-N 456.430 0.887 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)c1 1839422193 HTLSREDHEOJRQN-HSZRJFAPSA-N 458.490 0.780 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1)C(F)(F)F 1839893784 PVXFEUREJTVIPD-RZQQEMMASA-N 459.465 0.962 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840008311 FPFVBSONOSGQQA-DFBJGRDBSA-N 491.585 0.882 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C[C@H]2OCC[C@H]21 1840035912 KIFPNFNUHAECBS-IPRDPGLQSA-N 492.573 0.771 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)[C@H](C3CCOCC3)CN4)C2)C1 1840041643 ZKEXSKYLQJTYPX-HFZDXXHNSA-N 497.548 0.780 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1cccc(Cl)c1 1840043368 UCFWRIZVIFYWRH-IFMALSPDSA-N 477.901 0.062 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1OCC1CC1 1840043544 FNNXZCINXZUNRT-DEOSSOPVSA-N 472.494 0.642 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840370232 OOTYBQJZGLLEQE-QPPBQGQZSA-N 473.574 0.682 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)n1cncn1 1840416071 YVBQDGQCZCJOQS-MBSDFSHPSA-N 452.515 0.800 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1840550116 CNHNNQORSGBTOQ-FQEVSTJZSA-N 469.947 0.716 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1)NC(=O)OC(C)(C)C 1840795431 ICHMVIBFCWDZRV-SBUREZEXSA-N 482.578 0.438 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840883131 TVUZGBBWXNGHTC-WAIKUNEKSA-N 494.545 0.203 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c1 25964812 HOJHDYGBLNMSTM-UHFFFAOYSA-N 486.506 0.242 30 20 JCED C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 31211111 RHNVAKNLPJLDPW-SFHVURJKSA-N 461.588 0.724 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(c4ccc(C#N)cn4)CC3)CC2)cc1 497490202 WLZGIBCMLSCVMQ-UHFFFAOYSA-N 484.582 0.617 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccnn3C)c2=O)cc1F 502054190 YAXAWALCEYQDOY-UHFFFAOYSA-N 496.568 0.032 30 20 JCED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 516443568 AMEOAEKCVHLQRI-UHFFFAOYSA-N 464.482 0.879 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(N)=O 524281311 QDJWVLNPUQQACM-UHFFFAOYSA-N 463.357 0.433 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1 616961380 JUBOZTUQJNGABP-UHFFFAOYSA-N 473.555 0.755 30 20 JCED CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403728 MOVJKSCRNFGQQQ-LRWZUSMTSA-N 481.600 0.329 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCS(C)(=O)=O 729671104 HNFOTCVXRZDYIL-UHFFFAOYSA-N 469.535 0.652 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCS(C)(=O)=O 729671475 OOPMTONNYUTXSZ-UHFFFAOYSA-N 469.535 0.652 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)cc1C 838632185 YIUGCZBXIAXOHC-UHFFFAOYSA-N 492.605 0.201 30 20 JCED CC(C)[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 876675791 OWHGTNCXFLXRKG-PXNSSMCTSA-N 485.584 0.376 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CC1 1296289626 ULWOJXQQXVBOSB-UHFFFAOYSA-N 480.617 0.922 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1299263211 UUFIWNCQGOGRMQ-UHFFFAOYSA-N 452.519 0.859 30 20 JCED CS(=O)(=O)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1302448712 YOIOFSMPRAEQPJ-GOSISDBHSA-N 458.544 0.722 30 20 JCED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1314922964 IUXRPXNVTRHYGC-OAQYLSRUSA-N 459.576 0.355 30 20 JCED CCCNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1728196214 VDJSAULMMYMUAW-OXQOHEQNSA-N 467.596 0.657 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1729216374 LDPNQFUOBVKNBZ-OAQYLSRUSA-N 460.560 0.876 30 20 JCED COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1767870294 MBYURVHKIUUYQZ-UWJYYQICSA-N 459.528 0.756 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777714799 JFJWDUSATAXMCX-VGOFRKELSA-N 494.570 0.475 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cc(O)nc(O)n1 1778017271 FSQWZVBMTZGNSZ-RDWJQRRLSA-N 463.491 0.544 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1778115156 DYGVWBUNDNBXTI-HSZRJFAPSA-N 459.568 0.540 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(F)F)CCO2)C1 1778920507 BDVVTFYVQKMEFK-SPLOXXLWSA-N 490.504 0.887 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1779109342 MURLDRZTCAIUKY-NZSPGFLPSA-N 470.573 0.206 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1779337045 CBDJRQRMTOVJHC-ZBNTXBBCSA-N 475.590 0.544 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)c1 1780176787 MFFHZZRXTASREW-NRFANRHFSA-N 474.564 0.871 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)CCO3)c(C#N)c1 1781175580 PHILGJADUMSEGU-RDGATRHJSA-N 494.552 0.410 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c(C#N)c1 1781175801 BPTPVLSAGAGPCX-DENIHFKCSA-N 461.540 0.516 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1781296064 QRRQLYYEVSPEQP-HTAPYJJXSA-N 452.552 0.812 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@](C)(O)CC(=O)O)C1 1782203998 GAWWAOZKCWQWDG-NPFVIJTESA-N 452.552 0.398 30 20 JCED CC(C)(C)OC(=O)N1CCC(CNCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783562273 KINCEHSWHDDRMQ-XMMPIXPASA-N 492.573 0.141 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCc3ccccc3)C2)C1 1783685799 KOVIURWPNORRMQ-DEOSSOPVSA-N 474.510 0.154 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1783766196 GGQSKPXBAPSKMN-FOIQADDNSA-N 459.565 0.330 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784194546 GWPZSZOPTIXNNP-SWLRZZBJSA-N 494.589 0.100 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1785594582 VJJJLRDCNMCFOZ-GRFCFPJTSA-N 488.541 0.999 30 20 JCED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21)c1ccccc1 1788708869 ZQCYDCJITWEQQM-WIYBCGNWSA-N 454.571 0.756 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792110272 QEYIXDIQTHEVPL-APAFKAMOSA-N 495.621 0.418 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792142047 QBLZIQQGHRAVMJ-UFYCRDLUSA-N 467.563 0.356 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794231697 AEVWOHFJLSJIAX-DJSSIZSOSA-N 460.535 0.488 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)nn1C 1794348272 VUXAUKIRYBCULG-RCJHGTSTSA-N 475.546 0.549 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795081233 WSAXHLVVMHUJJL-SHJAMOMRSA-N 499.568 0.725 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(C(=O)OCC)ncn2c1 1795924722 XFBFXCWCOYIJHP-BOLBYERCSA-N 468.510 0.753 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F)n1cnnn1 1795997274 MEBRPYUHNPAWCN-MCYUEQNJSA-N 464.408 0.423 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(S(C)(=O)=O)CC1 1797137314 XLTKSUGZHWEZNB-OPVJXMOQSA-N 457.593 0.230 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)c2nncn2c1 1797690507 JMFBPMUAYXEEJS-SCAQPMJSSA-N 459.938 0.868 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1799232164 RYAVGMQSZPUEIE-DMUMMCEESA-N 490.605 0.113 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800297869 MBEOWXSNABCDSQ-RXDLHWJPSA-N 495.620 0.910 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)COc1ccc3scnc3c1)C2 1800455556 GMWXWGHANKMGJN-YEZVWNJWSA-N 456.524 0.404 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1800878933 MYFXZWHNUWQTNP-JTJHWIPRSA-N 471.558 0.542 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc(C)n1)C2 1802124480 CEACHZBOCNBUHD-DMUMMCEESA-N 459.547 0.698 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)cc1 1807943628 GVGCSIJOUQTKFJ-PGRDOPGGSA-N 483.492 0.642 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)cc1 1807945763 HFBRSEBSKKHBJY-FXAWDEMLSA-N 469.465 0.713 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)cc1 1807949141 NBNSHWPITTTXTC-RXVVDRJESA-N 483.492 0.907 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)Cc2cccnc2)[C@@H]1c1cccnc1 1808355032 KJCKJPROMGWCBA-BBJHXUOXSA-N 462.554 0.911 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)Cc3ccccc3C2=O)[C@@H]1c1cccnc1 1812874657 WWGVCWJDKHBQCG-UQBPGWFLSA-N 488.500 0.791 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)C(C)(C)NCCC#N)sc3C2)CC1 1814980093 SVPYYJMWIPQWIA-MRXNPFEDSA-N 475.619 0.501 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1819393030 DFCPOKBWBNXCOT-NGZBARDMSA-N 467.494 0.313 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1819773001 OZSAMBRZTFRHOG-PCXKXAPESA-N 482.632 0.257 30 20 JCED CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2ccccc2C#N)n[nH]1)C(=O)C(=O)O 1823388645 YERNZNGCHNLPAI-INIZCTEOSA-N 468.470 0.895 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)NC=O)CCN2C(=O)OCc2ccccc2)C1 1829221265 NFBZDSZYIBVRAE-FHAGJXEFSA-N 484.553 0.611 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)C1 1829762764 QVFNKYHGTONZAG-CNXHMKESSA-N 481.505 0.721 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830178261 DUUFOGVXXVFZQV-HTAPYJJXSA-N 464.540 0.198 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 1830877738 NALHDFLZJHMCOR-YZZKKUAISA-N 467.563 0.376 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831330974 YIXYSBQKSICDHC-ZHRRBRCNSA-N 496.561 0.024 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1831432213 JBVPGQNHECYFMP-HTAPYJJXSA-N 455.552 0.947 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1831997990 BFSIHWMYMBBSLQ-IMWIBFENSA-N 496.605 0.827 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246320 BWXCLPAPCMBACE-WBMJQRKESA-N 456.389 0.389 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1)c1ccccc1 1832691893 QJULDMYKHZRVOY-DFIYOIEZSA-N 482.537 0.238 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)c(C#N)c1 1833276043 DGEFZWAORULPFS-XMMPIXPASA-N 466.494 0.513 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC(F)F)cn1)CCO2 1833638075 ZQGSUKPUIIQMCJ-QJKPHDSHSA-N 480.468 0.611 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)NC(C)=O)C3)C2)c(O)n1 1833700379 VSFROLIEUOPNTM-QMHKHESXSA-N 460.531 0.500 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)=O)CCO2)C1 1834720236 OBPWQCFYWNZWBL-WZONZLPQSA-N 465.547 0.729 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(C)=O)CCO2)C1 1834875088 MIPWEHYFIJPTFN-WZONZLPQSA-N 465.547 0.729 30 20 JCED COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1835029902 CCLZQANDINVUPA-XMMPIXPASA-N 458.559 0.976 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)nc2ccccc21 1835341969 NDWZXYYBYAMTTO-HSZRJFAPSA-N 451.483 0.307 30 20 JCED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)c4ccc(C#N)cc4)CC3)CC2)CC1 1835510764 DZYXTLQTKOKTPF-UHFFFAOYSA-N 480.613 0.908 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1835712906 KONGBEFQQUYSMQ-NRFANRHFSA-N 450.624 0.853 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccnc3C(N)=O)CC2)CC1 1835713740 MCBGMBSAAFYURC-IBGZPJMESA-N 457.575 0.939 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cnc(N)s5)CCO4)C3)c2c1 1835846244 DGBHHMPEVRSFPD-NRFANRHFSA-N 467.511 0.857 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2)c1cccs1 1835995722 UUKJPOOYGZLKEX-YQTDCCHMSA-N 471.535 0.805 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(-c3ccccc3)ns1)CCO2 1836251161 ZYYJZPPLCIJABV-OAQYLSRUSA-N 456.480 0.363 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837044527 DBLRGFWGPXEGEK-VKUXZERMSA-N 459.528 0.324 30 20 JCED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837246661 IBSUHHBZVMTOIE-GHRAFVERSA-N 463.556 0.552 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1 1837279299 UNSSKKJXXJSESU-QMHKHESXSA-N 467.530 0.717 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C1 1837302616 BJQUJTHWGFACLT-OPYAIIAOSA-N 457.593 0.539 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1837403069 HMAUPQZMOKCDGR-SQJMNOBHSA-N 472.586 0.413 30 20 JCED CCn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc1C 1837491034 TZKXVHANSMLNRW-XMMPIXPASA-N 458.559 0.980 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1837530965 ADXWGLLDAQQUJX-YRPGDMADSA-N 467.910 0.729 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nn1 1838830978 WLTSZBGIQUPRTH-HPARJBSBSA-N 457.487 0.657 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)ccc1F 1839186144 BYFSTAZIMAVLQU-QHCPKHFHSA-N 460.506 0.028 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(N4CCOCC4)c3)CCO2)C1 1839344749 YDAHBCSAIMFCQG-SANMLTNESA-N 499.612 0.875 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1839363694 PXAPYGADAARKCJ-SIKLNZKXSA-N 461.540 0.400 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)cc(C(F)(F)F)c1 1839443543 NYEBCMDUPHZWFU-KKSFZXQISA-N 480.443 0.783 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(C(F)(F)F)nc3ccc(F)cn13)CCO2 1839620250 ARSPXIPZDUMGRS-HXUWFJFHSA-N 498.389 0.650 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3F)C2)C1 1839806277 IBGHPVIUSVTARY-HYFFOGBASA-N 453.511 0.671 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)C2)C1 1839811145 JMPJVBKEVNSUGW-NZQKXSOJSA-N 475.567 0.238 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C#N 1840045155 TZWVXKBAYBGGNE-QHCPKHFHSA-N 455.467 0.503 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)CCO3)C1 1840060597 YJVQRPXQESZHCI-IMWIBFENSA-N 479.574 0.779 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1)NC(=O)OC(C)(C)C 1840112014 VPJVCNDDRAIKOI-PDSXEYIOSA-N 489.591 0.218 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840158416 LLDQYHBLLXSKNY-ZOCZFRKYSA-N 473.592 0.397 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840158654 OYKVTHJAWLGKKI-PTDBIEIZSA-N 475.608 0.689 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(Br)nn4c3)C2)C1 1840159528 GWQTWKVNMISZNI-KPZWWZAWSA-N 484.376 0.880 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840796289 DGSFNSAYJURALW-ROMRWMGNSA-N 496.605 0.827 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843085355 GQEOVJYEEAICNP-LJQANCHMSA-N 494.556 0.884 30 20 JCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c(C(F)(F)F)n1 1843168626 YHKPGUZOCMILST-UHFFFAOYSA-N 485.488 0.519 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844298652 CRZJHXBKFSSHQD-XNOGWTHNSA-N 468.551 0.995 30 20 JCED O=C(c1ncn2nc(N3CCOCC3)ccc12)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300235 SKSCCNFPZMXUKM-ODDBZWQPSA-N 497.556 0.912 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)cc1 1846197328 UNLPDWVEAIZZBS-SFHVURJKSA-N 459.524 0.440 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848034002 LSSUNGWUGWTDRA-IKGGRYGDSA-N 475.546 0.437 30 20 JCED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@@H]1CCCO1 511066446 WIXDUHCKCXXZNO-ROUUACIJSA-N 497.573 0.658 30 20 JCED COc1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1OCC(N)=O 516045936 VBDRVPIIFFUNBH-UHFFFAOYSA-N 455.446 0.857 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1Cc1ccccc1 592994021 UPDBBJRAJBRACJ-UHFFFAOYSA-N 460.494 0.927 30 20 JCED CSc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cc1 604269898 HVQOHIWXHWVERN-UHFFFAOYSA-N 458.609 0.995 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O 608911422 FIMOXSDILBAICX-UHFFFAOYSA-N 475.368 0.719 30 20 JCED C[C@H]1CN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 726294465 SGRBSZMCKIJDFN-CVIUTVQRSA-N 451.549 0.275 30 20 JCED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cn1 727160740 JKPIVVTYUNERBW-UHFFFAOYSA-N 450.524 0.488 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(F)c(Br)c2)c1=O 729672734 FIBSFJZRMUUKOW-UHFFFAOYSA-N 456.318 0.883 30 20 JCED CC(C)CN(C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 769792748 KCHNCGCKQOHHTG-INIZCTEOSA-N 471.557 0.051 30 20 JCED CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 877876849 FXOBXZIMFGVEPW-FUHWJXTLSA-N 464.544 0.784 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)C1=O 916616664 JVWTYWUBPLGISY-UHFFFAOYSA-N 461.500 0.853 30 20 JCED Cc1nn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=S)n1CC(=O)N(C)C 920834156 FEADSFUGAYZSDX-UHFFFAOYSA-N 463.589 0.646 30 20 JCED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301737099 SYLOPYXVSKRHMM-LJQANCHMSA-N 468.562 0.863 30 20 JCED CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1314535929 LXHRJDHXMVSUME-GOSISDBHSA-N 492.627 0.813 30 20 JCED COc1ccc(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1315459514 LBKWNHODGUYZCE-VQTJNVASSA-N 490.586 0.981 30 20 JCED COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCN(C)C1 1316100072 QVMPJPYVXCLQPT-OAQYLSRUSA-N 462.576 0.782 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC(=O)N1C 1512500192 OUIQEQWDIUWSSL-MRXNPFEDSA-N 467.530 0.678 30 20 JCED CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1515273744 IUSNDUSIXBUCJO-KRWDZBQOSA-N 488.618 0.955 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1555558241 PGSMRVFUBBNTBW-GOSISDBHSA-N 452.581 0.805 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC(N)=O)C1 1705687838 KJHKLUKMARJVPX-KGLIPLIRSA-N 491.412 0.611 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C1 1741983400 JUTIVXRGXPQINE-FZKQIMNGSA-N 475.522 0.122 30 20 JCED CC[S@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747467686 KVMSTMPRDVYGAU-YTTGMZPUSA-N 456.576 0.762 30 20 JCED CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1766862694 VAQBOSKMJXIBKI-UHFFFAOYSA-N 466.546 0.869 30 20 JCED COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1771119260 JLSPOINMGGROFA-OALUTQOASA-N 476.559 0.707 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1777999496 QHKIHOIQXCERFV-NRVIRDBHSA-N 453.584 0.256 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c2ccccc21 1778168444 ZGYZFKLGODDOBQ-ZTBZRGNBSA-N 485.541 0.699 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc(OC)ccc2[N+](=O)[O-])C1 1778374544 FOFKNBGRKPJVDE-PGIJKQDWSA-N 487.513 0.984 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)N(C(=O)OC(C)(C)C)C1 1778854108 UHAWLCFQAYVRCH-QMHKHESXSA-N 489.577 0.715 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1779182497 HIYGTHWKYYSKPZ-XDHUDOTRSA-N 478.509 0.375 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1779338720 YTXQXNUCCGZOAK-JGDUNROCSA-N 469.579 0.917 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2 1780684229 JVXZOOGMVNQLTR-HOOSLVGPSA-N 492.621 0.680 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2 1780753581 SXTMMLZVUINEJH-YGKZAACZSA-N 480.610 0.843 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)CC2)CC1 1781108472 GFTQSLFDVQKPQH-DMZUZXHHSA-N 463.579 0.125 30 20 JCED C[C@@H](NC=O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1781254284 GUWSWOLQZVLHGW-PZPWOCDFSA-N 472.608 0.553 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1781290697 IWXJSAKAGPVOPO-OPAMFIHVSA-N 452.552 0.764 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(Br)nc1)C2 1782013906 YWOHVUYETPVEIN-FOIQADDNSA-N 464.316 0.989 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)C2CCN(S(C)(=O)=O)CC2)CCO3)c1 1782060336 PLLNDPQDLBLGKA-QHCPKHFHSA-N 474.583 0.982 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782671151 BXIGBZHSPMTLFR-HJPURHCSSA-N 491.545 0.860 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782812079 LWMAUCGBKUHRAR-RCFPETKNSA-N 483.613 0.923 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn(C)c(C)c3Br)C[C@@H]21 1783531495 SKBZYOUAPAAMJE-FCLICNRPSA-N 494.390 0.943 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(NC(=O)OCc3ccccc3)CC1)CCO2 1783564141 FYMTXCVLOZCULU-QFIPXVFZSA-N 455.467 0.363 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1785577114 QCVMSUQZNAVQJN-HOYKHHGWSA-N 476.574 0.745 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368758 OQKBNJYYAFUQLL-DKIMLUQUSA-N 460.535 0.739 30 20 JCED COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)n1 1788659002 FLZARDDIDAQBJD-SUHLBEFOSA-N 463.535 0.652 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4snnc4c3)[C@H]2C1 1789202575 VPMQZVUSMIDJTJ-QRTARXTBSA-N 457.560 0.961 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(I)c3)[C@H]2C1 1790015993 DXACRDWIVQDVRS-BPUTZDHNSA-N 482.274 0.973 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1790176419 ZWNYPRCSKQMUNH-KUPABWCHSA-N 467.567 0.281 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c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c1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)c1 1793615106 IJCIBAKMMOABSG-FAQVEIGNSA-N 452.467 0.085 30 20 JCED Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(F)(F)C(F)(F)C(=O)O)c(C(F)(F)F)n1 1793729210 BKDVPVBWFDKXEK-DIYOJNKTSA-N 490.332 0.997 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)c2ccccc2C1=O 1793860748 VSQUZXXQMYUOMB-OPOADAIRSA-N 453.495 0.301 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794093515 LHXGRRRIUAOTGJ-FCGDIQPGSA-N 496.630 0.272 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 1797279483 JETAOZIUIRUKAR-YGBCKFAYSA-N 467.538 0.963 30 20 JCED COc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cc1F 1797808797 QZEFTAXFHIYIKQ-LZGXWKSMSA-N 450.467 0.962 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NC(=O)c2cnccn2)c1 1797873997 YIZSGAMYDSHFOZ-RMYQPGKMSA-N 462.510 0.678 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1799305152 REQOMIOTJIXORU-DMUMMCEESA-N 495.573 0.721 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884526 YYDRFAOMNCEARF-BCEDRHLLSA-N 460.498 0.928 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2 1800988614 ODUNLPMOJAWYEL-KCYAQADSSA-N 486.635 0.656 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801987696 DDJPZUFJDKHRHJ-DLIYGKSNSA-N 463.531 0.721 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)nc1 1801989186 CPMWEKYWCCHZKX-FAQVEIGNSA-N 484.534 0.639 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1802127477 PVGLIISUIMGBMQ-CLWJZODNSA-N 488.541 0.516 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H](NC)C(=O)O)C2 1804374607 YHNZDJLKPQJGDI-JJTUDDRGSA-N 450.536 0.604 30 20 JCED C=CCC(=O)N1CC[C@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1804389902 KQAMIUDUDIXAEM-APWZRJJASA-N 465.514 0.111 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CC[C@@H](N)C(N)=O)C2)CC1 1809826348 STXAIHGTACOQBV-QZTJIDSGSA-N 477.606 0.727 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@H](C)NC(=O)c2cnccn2)[C@H]1c1cccnc1 1810435740 FIFLEODBAGAEQV-YZYRHQEESA-N 491.552 0.554 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1819452293 JIFUUHUUWNJPIE-PZRATYCBSA-N 483.489 0.976 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826318886 URKQXPFGRJIPER-CQSZACIVSA-N 456.524 0.679 30 20 JCED Cc1nccnc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829161944 ZQCGMYRFTCEOBH-RUZDIDTESA-N 491.504 0.939 30 20 JCED CCOCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332471 MTIVTWCRNATDDI-HSZRJFAPSA-N 457.483 0.563 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1829335226 XRKWJEOCGBTVIP-XMMPIXPASA-N 494.508 0.208 30 20 JCED C#CCCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829378689 XSESRYDKNIDPAO-OFVILXPXSA-N 469.586 0.918 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829519375 AKWCTGZLEXTKJN-JOCHJYFZSA-N 462.934 0.899 30 20 JCED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)CC1 1829635465 IINMDRGVEAEBBF-HSZRJFAPSA-N 455.511 0.900 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1829845671 FXGOFGMUVVASBD-XUZZJYLKSA-N 456.543 0.862 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(CN(C(=O)Cc5ccc(C#N)cc5)CCO4)C3)c(C)n2n1 1829903116 IRHIBEPNJGGGFK-RUZDIDTESA-N 489.536 0.926 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056533 DNMVPIPJIVPRRP-GOSISDBHSA-N 454.325 0.802 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461537 OBAFHKDFRBTBKP-KOSHJBKYSA-N 454.527 0.638 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1830646375 XFHBGOYUTJDTIQ-VWLOTQADSA-N 498.617 0.907 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2 1831083890 VSOPPWWNXRXLDG-REWPJTCUSA-N 453.580 0.976 30 20 JCED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1831280828 JRVWLLHFGRJUIY-QHCPKHFHSA-N 458.515 0.552 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1831495541 CKWGLDCPGNTTLE-AVYPCKFXSA-N 461.581 0.240 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)c1ccc(O)cc1 1831576336 NDQMAOUWVVHPDZ-WXVUKLJWSA-N 471.510 0.454 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1831999404 XLAAKPXTRXLYQD-KSFYIVLOSA-N 468.551 0.048 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccc5sccc5c4=O)CCO3)C2)CC1 1832893247 TVUMTOJRSMEHTI-JOCHJYFZSA-N 456.524 0.823 30 20 JCED CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1833146583 LOVFOSXWQKADMX-UHFFFAOYSA-N 470.574 0.780 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CC2)CC1 1833219319 WKQOCKKTZXBTCS-DUTUXMCTSA-N 482.647 0.853 30 20 JCED COc1nccnc1C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833969737 OWDYCNVBAFRVDN-UHFFFAOYSA-N 457.579 0.952 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)nn1C 1834125227 IOBWYOMIGFYAPP-HSZRJFAPSA-N 453.499 0.749 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1835362927 XCRVXZSLHFZYRG-ODGPQVTHSA-N 456.543 0.382 30 20 JCED C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677441 IJSNWSDAPNXVSF-WZONZLPQSA-N 458.563 0.620 30 20 JCED C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681250 QURGWLDMPWCTDH-WZONZLPQSA-N 459.547 0.587 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)NC(=O)OC(C)(C)C 1836213741 PWMWMHCRTRLSCM-JPYJTQIMSA-N 492.577 0.594 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CS(C)(=O)=O)nc4)CCO3)C2)C1 1836378726 XNWGQNIAXUVNAH-JOCHJYFZSA-N 463.556 0.662 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3c(Br)cccc3n1)CCO2 1837186780 LFZFQEVIIGIHJG-FQEVSTJZSA-N 491.298 0.255 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1837396881 OEUPTLOBJJLDEI-GAJHUEQPSA-N 472.546 0.384 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1C 1837490839 RPYXEUYMMMFDMW-QHCPKHFHSA-N 460.531 0.197 30 20 JCED COc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837524273 DPHDPIIHVXEKHB-JPHKLTHBSA-N 462.503 0.689 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1837525335 UNTAYCMHKSJVQX-CMOVFPCMSA-N 456.883 0.927 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837529719 CZGIHDQGULYGLJ-LQQSXHKESA-N 452.508 0.012 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1837529732 DEMQTYTWIPLHEN-KNNTVDRYSA-N 474.352 0.899 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837531025 BBGKGQMZFWLSQA-DQKMJRQOSA-N 462.503 0.684 30 20 JCED Cc1nc(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)o1 1837531655 SETQHAZLPUMEMT-CMQXEDBBSA-N 450.492 0.890 30 20 JCED COc1cc(OC)c(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1838553199 PPDIFMNWUNYTON-OAQYLSRUSA-N 450.419 0.001 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)CN(CCO)CCO)CC3)CC2)c1 1838686145 BUZWGLUBWHWGOJ-UHFFFAOYSA-N 476.549 0.596 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)COc5ccccc5C#N)C4)C3)CC2)CC1 1839108407 IDFVKOXMXFPGCW-VWLOTQADSA-N 497.596 0.173 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1839173191 DPZFWUMIBAMIIG-HYBUGGRVSA-N 474.510 0.792 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361676 YNJUCRISTQBLNV-HTAPYJJXSA-N 478.571 0.150 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c(O)cc(O)cc2O)CCO3)cc1 1839370926 QKKMSCOYUMOKQX-DEOSSOPVSA-N 467.478 0.988 30 20 JCED Cn1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn1 1839489496 ZASLFTODOACAGZ-QHCPKHFHSA-N 463.498 0.481 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839693137 LXQICASUIHEBGJ-HHHXNRCGSA-N 496.608 0.538 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1839716689 WUWQGTALOBAEDU-SBUREZEXSA-N 479.599 0.866 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839880735 ZMVQXDGLXAQBSJ-PEBXRYMYSA-N 454.487 0.029 30 20 JCED COc1ccc(OC)c(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041452 NCSJQGASMBAJNL-QHCPKHFHSA-N 460.483 0.181 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C2)C1 1840163808 ZIWVZTAEVBYMLF-QGLBADPUSA-N 499.630 0.786 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1840169164 MUSKQDYGCMGNQK-QFIPXVFZSA-N 460.556 0.151 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840276125 ADQAEGPXWXJUNG-SCPLRKQGSA-N 457.527 0.945 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c1 1840551337 VZQLJGUOPRJBJF-VGOFRKELSA-N 463.556 0.818 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1840726929 WZMVJIKECLCMNB-XMMPIXPASA-N 471.558 0.997 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1840908596 CKUZRNGZDKQDQI-CPJSRVTESA-N 486.569 0.997 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCC)C2)C1 1840909264 XQNYIKURZIYPFH-FDDCHVKYSA-N 467.563 0.786 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1841604276 JABLHZTURTVSEG-QGZVFWFLSA-N 462.547 0.307 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1843326681 GYIMBCVMKNZSPD-SJORKVTESA-N 494.589 0.992 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/N1CCCCC1 1847640658 GFACIDAQURZMRX-XFRYNIMZSA-N 451.568 0.936 30 20 JCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 515723485 DFYTUXGRFITDNF-KZULUSFZSA-N 457.530 0.114 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cccc(F)c3)c2=O)CC1 517993160 INQHKOLJVDAFGZ-UHFFFAOYSA-N 499.612 0.267 30 20 JCED C=CCN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 596213545 VISOMVPVZFRHTG-NQIIRXRSSA-N 473.603 0.543 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(OC)nc1 608883728 BWJZWWMALQPDRL-UHFFFAOYSA-N 472.473 0.846 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cc1 609333600 SBCWGVAUDHVYGE-UHFFFAOYSA-N 486.594 0.298 30 20 JCED CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NC1CCN(CC#N)CC1 609340754 JJEOZUJIGMCKPX-UHFFFAOYSA-N 476.603 0.970 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 728573740 UARNASUIENOCHY-UHFFFAOYSA-N 497.621 0.040 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Cl)cc2)c1=O 729675264 XYPZYWJVAIFDNT-UHFFFAOYSA-N 451.957 0.389 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CSc3ccc(S(N)(=O)=O)cc3)CC2)o1 747284370 JPPUJSNGVOCJKH-UHFFFAOYSA-N 479.540 0.486 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 834848672 FKGJQTVAQFOPII-ZDUSSCGKSA-N 467.525 0.982 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)CC2)o1 915375220 GPXKESGQZOMOOC-GOSISDBHSA-N 465.470 0.167 30 20 JCED CN(C(=O)COC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1(C#N)CCCCC1 916533803 XNSJTUGCUDAVBJ-UHFFFAOYSA-N 464.544 0.895 30 20 JCED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918279855 LOJBTUDIIFIRSC-HAVVHWLPSA-N 487.604 0.274 30 20 JCED CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918307157 ORITVZALXRJQJC-XQNSMLJCSA-N 451.549 0.811 30 20 JCED CCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918462268 DXZWGZOIEFCPLJ-PTGBLXJZSA-N 463.560 0.909 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccccc2)c(=O)n1CC(=O)N(C)C 918729151 BZPZFQZZYLANMZ-UHFFFAOYSA-N 490.585 0.931 30 20 JCED Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)s1 920398706 IPKZIDODGNFLRQ-UHFFFAOYSA-N 459.597 0.303 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccccc2OCC#N)CC1 920634711 ZNKXCZUBLMRFFH-UHFFFAOYSA-N 462.484 0.884 30 20 JCED Cc1ccc(OCC(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1143431869 VIQLERBQCUXZMS-UHFFFAOYSA-N 456.524 0.895 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1313990339 YSCOVMSRHZSBQT-GOSISDBHSA-N 454.579 0.937 30 20 JCED COc1ccc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1OCC(N)=O 1321490075 NJOIIKIGOSQNMX-UHFFFAOYSA-N 461.544 0.941 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(F)c(F)c2)C1 1505139641 ROSTVYBAAKXZOY-YJBOKZPZSA-N 482.513 0.861 30 20 JCED Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1517426603 RVQGMSQFDYMXMN-UHFFFAOYSA-N 455.548 0.759 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1F 1541116365 NWZULRKSFRWLRO-ZBFHGGJFSA-N 467.527 0.820 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3cnccc3C#N)CC2)c1 1628786672 IQURLSBKSYAULP-UHFFFAOYSA-N 456.528 0.282 30 20 JCED COc1ccccc1CCNC(=O)CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1639871263 ZPOJTAPIZNHBHL-HNNXBMFYSA-N 458.540 0.987 30 20 JCED CN(C)[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 1729326642 WDTSEAYJPLXVAB-LZQZEXGQSA-N 487.627 0.490 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)CC1 1741988388 PDAAMXUVQVAZLF-HNNXBMFYSA-N 456.594 0.346 30 20 JCED C[C@H]1CCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1743118980 VDKRGQFGBVSABR-WMZOPIPTSA-N 451.597 0.835 30 20 JCED CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1767807519 WQAAUWNWIREPGD-KRWDZBQOSA-N 461.548 0.255 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1778384252 YWFKFUKWDSOPCO-HSZRJFAPSA-N 466.473 0.785 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4[nH]nc(Br)c4c3)C2)C1 1778727610 ANBDTAJIBMEFPQ-IBGZPJMESA-N 461.272 0.857 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)CC1 1781170185 UUWFONOIZLYDRN-JOCHJYFZSA-N 494.618 0.984 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782597277 CGBILBYCHPYVQG-HYBUGGRVSA-N 452.559 0.864 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c(C(F)(F)F)n1 1783160945 XPWHSIOXMXKETD-BUXKBTBVSA-N 451.405 0.552 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C[C@@H]21 1783532851 JMPPPAFUGQPFKJ-JROFNHFXSA-N 464.563 0.738 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C[C@@H]21 1784484008 NPZUHXQIFODZCE-NHFPKVKZSA-N 469.582 0.905 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1785578485 ZSVFFSZEAZHUGE-MBSDFSHPSA-N 459.547 0.709 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOCC4)[C@H]3C2)c(C#N)c1 1786725211 WWNPZXYOTNWLBQ-NYVOZVTQSA-N 456.543 0.421 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1ccc(-n2c(O)nnc2O)cc1 1789272381 MHQWGGZSXQBAGW-NFLBJGBUSA-N 494.508 0.984 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1790586430 PAPBOVLJLGQTNV-VDRBMUGGSA-N 487.557 0.709 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792139113 PDOGCRINKPXWNB-XSLAGTTESA-N 464.563 0.936 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(N)=O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1792284500 AHHBZXOFWDLIIR-QAETUUGQSA-N 465.551 0.200 30 20 JCED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1792635794 LJTSBFQBEQFANV-OPVJXMOQSA-N 490.582 0.460 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1793220472 WILPASSMMYAZHR-ALXJQNPVSA-N 450.536 0.811 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@@H](C)C#N)c1)C2 1793316206 HKZZCTRCZWIFBP-GYWCDFCBSA-N 462.572 0.845 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1793385610 WLPZRTMZKIIXOA-ZHCJQAHYSA-N 459.609 0.806 30 20 JCED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)cc1 1797102298 XLPCJWBIGYXVCA-OPMZPASUSA-N 497.515 0.888 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)C1 1797120486 FZSNJOOSCFGFFB-RZFLPCETSA-N 462.547 0.498 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(S(C)(=O)=O)CC1 1797706413 UORYUGZTMCKKBL-BCDXTJNWSA-N 455.577 0.806 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1797714517 WIBOCOKJZUQQND-CWQOZTLDSA-N 469.579 0.425 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1-n1nccn1)C2 1797814823 ACXRMALNOJWBHU-NYYXBFEKSA-N 468.514 1.000 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1800202439 OHQJKKDQEWCRMN-OHTXMGIZSA-N 453.499 0.502 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800701062 UBFSWPWTYSIDQQ-CLWJZODNSA-N 475.542 0.701 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)COc2cccnn2)[C@H]1c1cccnc1 1802499922 WVIFUFLDKYYWFZ-QDFBPKLPSA-N 450.499 0.815 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1804188314 SHXHLKPHMQTLFS-GCJKJVERSA-N 467.526 0.338 30 20 JCED C#CC(=O)NC[C@@H]1CCN(C(=O)c2ncn3nc(N4CCOCC4)ccc23)[C@H]1c1cccnc1 1812527086 XFWCESRJZHEYTB-MBSDFSHPSA-N 459.510 0.914 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@H]1c1cccnc1 1813334731 CDCWFXVOADMCRU-JCXROGDPSA-N 466.542 0.596 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1814208226 QWXIRANQEVBOIQ-WSTZPKSXSA-N 482.545 0.691 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1)n1cnnn1 1828811068 RZNQVKDAYRPGOC-JTSKRJEESA-N 466.502 0.600 30 20 JCED Cc1nccnc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829161946 ZQCGMYRFTCEOBH-VWLOTQADSA-N 491.504 0.939 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1829260707 BTPJHPRFOWRACJ-YADARESESA-N 452.511 0.598 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1829796674 CKLYVMAODMOMLJ-MXZSFLGVSA-N 464.544 0.969 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)CCO2 1829848149 ZUOPXQUNZHOBGZ-SBUREZEXSA-N 463.531 0.245 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C1CC1 1830850693 BZHXHHYTJGNLTL-SBUREZEXSA-N 479.530 0.224 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1831392396 DHLOXXFKWSKWKW-AUUYWEPGSA-N 456.421 0.604 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1831413443 YQEKMQURVWKVFY-YADARESESA-N 474.558 0.639 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1832000305 LXFWAAVXTANSTD-JPYJTQIMSA-N 477.562 0.878 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832425008 YMNXIGJOMRJEEG-GCJKJVERSA-N 452.552 0.646 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833149503 MXCOLMSJVKSYRX-INIZCTEOSA-N 455.563 0.716 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1833478355 SZFIOLMWCQTIOJ-KRWDZBQOSA-N 461.563 0.876 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833649875 ALEJQZZZJXRQHZ-YJMIJIGASA-N 480.525 0.196 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834755625 GOEFOHBLOZNSJS-LDBYXDLTSA-N 454.524 0.285 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1835358636 HPHVPDYTOSAXDY-VWLOTQADSA-N 496.564 0.842 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1835360078 RQCLMXXCIDIXNF-XMMPIXPASA-N 478.509 0.871 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835377477 ZIRWWQHURQDFQH-AMGMZLQMSA-N 452.552 0.458 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835677908 PXHADYGIYQLPED-XMMPIXPASA-N 460.575 0.423 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1)CCO2 1836621574 LDHWZKVVNGPPAW-YVHKJVDXSA-N 453.511 0.671 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1837397267 OECULGMYJYOCAP-AOMKIAJQSA-N 451.495 0.872 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837489377 DYADEYQGTQMYNP-QHCPKHFHSA-N 474.583 0.724 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc(O)n1 1837491254 MIIGZYKJGHYULH-DEOSSOPVSA-N 457.527 0.864 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837608815 JLNAPLAHRPYCSU-UPCLLVRISA-N 496.499 0.376 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838118650 SZDCCLLYAOEJJW-DVECYGJZSA-N 469.542 0.910 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)cc1 1838499276 ZMYPFQJIRRBLCV-VWLOTQADSA-N 488.504 0.274 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnn4)C3)C2)c1 1838584123 QUPIDKDGZGWVLY-HSZRJFAPSA-N 467.482 0.506 30 20 JCED COc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)ccc1[N+](=O)[O-] 1839137150 ZBJVBMPEHRULAI-VBKZILBWSA-N 453.517 0.921 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1839227597 UXIBVYGSXNMPCF-KKSFZXQISA-N 450.540 0.904 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)cc(C(F)(F)F)c1 1839443075 PXZXEBVJKQIVCV-HXUWFJFHSA-N 478.431 0.939 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCSC(=N)N)C4)C3)c2c1 1839488003 QJQZPEDPUDELTO-OAQYLSRUSA-N 471.543 0.521 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)COc5ccc(O)nn5)C4)C3)c2c1 1839489041 MOWZGXHNEURJSP-QHCPKHFHSA-N 493.480 0.079 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1839655911 WOJNGAXRDWHWCV-GAJHUEQPSA-N 473.599 0.868 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)CO2)C1 1840008217 CBNSJHXWXDLVLR-UUOWRZLLSA-N 492.573 0.773 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2)C1 1840171452 HAGFVSCTVPSTRQ-HSZRJFAPSA-N 485.578 0.577 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1)c1ccc(O)cc1 1840220998 OSZAKCCFQJCYBM-LJFZDNNRSA-N 457.527 0.480 30 20 JCED Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840387106 PZESHRUPGUPELV-QHCPKHFHSA-N 460.579 0.710 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(C)C(=O)CC4)C3)C2)c1 1840712647 PALPNEXABOWZSI-MZNJEOGPSA-N 467.526 0.992 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)N1CCN(C)CC1 1840820165 BZEQUCZWXCWQCD-CJFMBICVSA-N 485.585 0.029 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840907402 UIZRAWKXXGTDCA-MWTRTKDXSA-N 489.529 0.169 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)C(C)C)C2)C1 1840912779 QSGNBAILZXZZAV-GRJZNYKUSA-N 481.590 0.929 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1841055956 JGAZJCZZOALNMN-XBKFQHLESA-N 462.547 0.420 30 20 JCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)c(C#N)c1 1844287295 NHQMQPBFGCMHHZ-HXUWFJFHSA-N 457.483 0.808 30 20 JCED N#CCc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)cc1 1845874329 VIHGDEHOEWICLC-RBUKOAKNSA-N 481.578 0.750 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1847071968 RHMSRJRMBGTUTO-OALUTQOASA-N 461.607 0.742 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 16559757 CZMKKIRFIJNXGV-UHFFFAOYSA-N 484.577 0.791 30 20 JCED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)n1 17164361 FKAUSJFOROZKKC-HNNXBMFYSA-N 464.525 0.969 30 20 JCED C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1OC 108034968 ITNUMEHSYUTUEW-MRXNPFEDSA-N 458.558 0.535 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCCC(=O)OC 501777969 VQKZKQZFGGTIBC-UHFFFAOYSA-N 457.552 0.746 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1-c1ccc(C(N)=O)cc1 522536140 WVVYXIXASPKDNF-UHFFFAOYSA-N 468.922 0.909 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCNS(C)(=O)=O 524281390 UNZNKHYLRDVDDB-UHFFFAOYSA-N 494.664 0.600 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H](C)c1ccccc1 604005348 YFVIJFRGYFMYDK-MRXNPFEDSA-N 451.552 0.908 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(OC)nc1 608884327 FEGQWUYQRIAXPD-UHFFFAOYSA-N 454.508 0.941 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(N)=O 608911419 FDXCAWCIZZPGDM-UHFFFAOYSA-N 462.478 0.558 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1ccccc1 613076421 XWCAZQKDDMTURQ-UHFFFAOYSA-N 467.503 0.853 30 20 JCED Cn1cc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 726577525 QWKCWUHUTMYHEF-UHFFFAOYSA-N 486.561 0.601 30 20 JCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 728573076 JZCVNWRKNMWNMW-IBGZPJMESA-N 475.615 0.555 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCCCN3CCCC3=O)CC2)cc1 792349783 BWRZTVFHKVTQNW-UHFFFAOYSA-N 476.555 0.631 30 20 JCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 804562575 JNVWLBXBGVQKKO-UHFFFAOYSA-N 459.547 0.810 30 20 JCED CNC(=O)[C@H](C#N)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 919667101 PZOOVEACEYGVGK-MRXNPFEDSA-N 479.515 0.287 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1 920095867 PPNBSGSFGQZJKR-UHFFFAOYSA-N 452.496 0.586 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1288170197 NINRHLHEPXXYIQ-VQTJNVASSA-N 453.547 0.760 30 20 JCED COCC1(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCC1 1301117047 YYMYXUGRCQJTIP-SJORKVTESA-N 468.580 0.547 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CCO1 1359447354 UNDFIZXRXMXIBF-UWJYYQICSA-N 453.547 0.879 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)C1 1447484342 LZMIHFSHJMNEEK-LSDHHAIUSA-N 451.524 0.941 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1nnc2n1CCNC2=O 1455756896 MXJKIQUPXANCCS-AWEZNQCLSA-N 459.532 0.277 30 20 JCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)C2=O)cc1 1478569284 VYVVCFKJEPBJCJ-FGZHOGPDSA-N 454.575 0.755 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1554306456 YINHYTAHJONEDX-KRWDZBQOSA-N 450.521 0.130 30 20 JCED CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N1CCOCC1 1603683178 NYMOWVBZKWDVKN-KRWDZBQOSA-N 453.551 0.712 30 20 JCED COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1619780179 WUZWDRAVXSTCJJ-JTSKRJEESA-N 455.519 0.730 30 20 JCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(OCC(=O)NC4CC4)cc3)CC2)c1C#N 1622033694 UWUKWAQKVRQLPA-UHFFFAOYSA-N 458.544 0.769 30 20 JCED N#CC1(CS(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCCCC1 1653620947 TZPSUYWRAQSQKZ-UHFFFAOYSA-N 455.606 0.927 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1710881409 SVRGXEDBSQOXSF-UHFFFAOYSA-N 461.548 0.625 30 20 JCED CO[C@@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)CCOC1 1748502079 MHKXVECOFWHCMW-OXQOHEQNSA-N 468.580 0.547 30 20 JCED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1750203593 MGZMPHATSXBIDS-UHFFFAOYSA-N 485.614 0.996 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOc1ncccc1F 1751226022 ICFBDMPOSBVULU-GDBMZVCRSA-N 478.554 0.678 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN(C)S(=O)(=O)CC)CCOC1 1767482662 KUSUZPGKSBSPCQ-QFBILLFUSA-N 456.569 0.331 30 20 JCED COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1770987640 LYYOPYIKBISWDO-QFIPXVFZSA-N 492.602 0.988 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778052359 BVUHFDPGLXJLKG-ZHRRBRCNSA-N 470.555 0.969 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](O)N3CCOCC3)C2)ccc1F 1779415226 HQTLZDNABKSCMV-FGCOXFRFSA-N 474.533 0.404 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779536066 XXTRLLIVZXFAJD-SBUREZEXSA-N 487.513 0.535 30 20 JCED COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c([N+](=O)[O-])cc1O 1780103540 ZJKZWWDXYOWLDC-DYESRHJHSA-N 461.427 0.525 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1781166438 PAYZJLNFLSYMPY-STSQHVNTSA-N 489.577 0.761 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1781295766 PKLDIXGJKXPDGM-HOYKHHGWSA-N 489.573 0.933 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)[C@H](O)C1 1783478670 OWRPHBQVVAVQCD-FKSLSLAPSA-N 476.574 0.888 30 20 JCED C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557109 AVDSHPYBXKEKSJ-SEPYTNNBSA-N 463.531 0.797 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783766378 LLHSZAQDVBBYAB-CJFMBICVSA-N 493.649 0.923 30 20 JCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784535040 LKYAKAYUOSQVQN-ZOFXXKQRSA-N 459.609 0.806 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1785624795 VKUIYGUNARMBHL-KOSHJBKYSA-N 491.589 0.572 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787473147 BSDNOWPBEOEUNX-CPJAJNLVSA-N 459.547 0.460 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4nc(N)n[nH]4)[C@H]3C2)c1 1788504969 ROMBMWYOSLRLBW-WBAXXEDZSA-N 453.503 0.493 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344939 JLQFZUDSMWCIFE-CAMMJAKZSA-N 475.546 0.755 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21)C(F)(F)F 1790882507 MTEGIGIQZGALDY-KKUMJFAQSA-N 453.483 0.510 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)CO2)C1 1791020863 HIYUEJOIZJJPIC-XSLAGTTESA-N 462.547 0.906 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791078158 VPENTYIDPPMFNN-DSFVOBFGSA-N 481.521 0.793 30 20 JCED O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1792239232 ZRVJIQDXYOFEAV-UBMXVSIRSA-N 467.617 0.298 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1792258825 QZTLLSVMBOYLQD-ATIWLJMLSA-N 462.547 0.019 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793611200 MNVHMOLAZLNUTF-DLRJPAPCSA-N 490.557 0.361 30 20 JCED CC(=O)NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795084104 YHKSKYJAAVYZRH-ADYITMSISA-N 483.569 0.595 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795645574 MUYFUQVAQSGHLA-VBRUWADQSA-N 494.589 0.336 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1797119424 BTLFMPHSZPWZGT-ROMHJBHXSA-N 495.617 0.767 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(C)=O)CC1)c1ccccc1 1797304634 QNXQQCXRLYPJCK-UHCVVMIDSA-N 480.609 0.937 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694801 LQKQFYKDCLXJAP-HIRMHNASSA-N 489.529 0.546 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOCCOC 1799383679 DCPIOQQYWKMUSN-XWSHUIEDSA-N 472.579 0.253 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2 1801002469 ZVOVUPFBDCJTNX-RCJHGTSTSA-N 453.536 0.999 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2)c1ccc(O)cc1 1801055031 BZQYYUVETGHYHQ-XWQURZDVSA-N 472.611 0.963 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(F)(F)F 1802152084 RCOWUAARCNHKNP-XFMPKHEZSA-N 478.468 0.463 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@@H]1c1cccnc1 1803552487 GESBBBCXYLLTLU-PLMTUMEDSA-N 467.482 0.896 30 20 JCED COc1ccc(CC(=O)N2CCC3(CCCN(C(=O)CC[C@@H](N)C(N)=O)C3)CC2)c(C#N)c1 1809827307 XELDEGGEEIIBHD-HXUWFJFHSA-N 455.559 0.933 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828629488 YLCWJWGROMQBNS-XMMPIXPASA-N 483.525 0.566 30 20 JCED C=CCSCC(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828969415 FEDWUYSIRNSTCN-QHCPKHFHSA-N 488.614 0.841 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1829691048 GFGBZCPNPJDVKG-IMWIBFENSA-N 479.574 0.474 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@@H]4C)C2)C1 1829766124 MUKITSKYHVNOJL-LNZDQZEBSA-N 457.531 0.388 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1830640713 GLGWVRQEKKIYGQ-NFBKMPQASA-N 466.531 0.706 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1830805355 JVMKNJANFNTYFH-IBLIISRWSA-N 469.538 0.739 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1831398480 CVEWQOXFEVBWRN-JLGINSKQSA-N 454.527 0.247 30 20 JCED Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)nc2s1 1832104344 RHNGMFKMNNHUIP-QFIPXVFZSA-N 489.602 0.380 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832419729 PEWNDMIJDJAYRO-QHCPKHFHSA-N 451.564 0.828 30 20 JCED COc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)ccn1 1832595881 JJOPUOKGPFPIFR-RGXRWQALSA-N 473.574 0.951 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832751314 RDZTUFWOBVFWJZ-CKJXQJPGSA-N 467.613 0.871 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4noc(C)n4)CCO3)C2)c(C#N)c1 1832930555 JLOUMALBUMKQRF-HSZRJFAPSA-N 469.498 0.500 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCNC(=O)c3ccc[nH]3)CC2)CC1 1833465204 QLMFSCWXRTZRDZ-GOSISDBHSA-N 457.575 0.745 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1 1833475562 RYOLTZSPRNHGNE-QFIPXVFZSA-N 456.430 0.480 30 20 JCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cc5n(n4)CCNC5=O)CC3)CC2)CCC1 1834328556 URNWYJNFMVUMTL-UHFFFAOYSA-N 453.547 0.506 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)COCCOC)CCO2)C1)NC(=O)OC(C)(C)C 1835247690 WPOORKGRJIUOHX-YADARESESA-N 499.605 0.965 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1835644987 LNXGUKYIHDZVMK-HSZRJFAPSA-N 489.548 0.876 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1835718206 XWWHPIFCDIUSLQ-RTBURBONSA-N 455.621 0.708 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)C(=O)O 1835763158 GVAMYNVTIQWJBH-LAUBAEHRSA-N 464.906 0.344 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1836844786 FZTXRRYPQORWJK-APWZRJJASA-N 473.636 0.886 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1836845940 ZSQZNYNTAPJPMN-LWJGVMBGSA-N 485.651 0.785 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837208883 IBONRXGADOWQIB-LAUBAEHRSA-N 480.905 0.346 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1837429046 QUNLLNQUFPEVJQ-HSZRJFAPSA-N 465.667 0.826 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccccc1=O 1837444013 ORKMAEKNHAKZKT-FIERTBHGSA-N 459.547 0.337 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1837526842 WBULZQJYUDVTNV-UFZNEBFXSA-N 467.910 0.729 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837531027 BBGKGQMZFWLSQA-JGILBTDTSA-N 462.503 0.684 30 20 JCED Cc1cc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)/C=N/O[C@@H]2CCCCO2)CCO3)no1 1837531755 VZRSKABFWIJSKH-QFJWWYIYSA-N 462.503 0.982 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OCCCO)cc3)CCO2)C1 1838545499 GGQVYTMFVUJUJX-NTKDMRAZSA-N 460.527 0.556 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1839130795 UQBPLRUWQDFKTD-XLNZFTOWSA-N 480.606 0.734 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4CCOCC4)C3)C2)c(C#N)c1 1839131802 AFKXZLCKFSJGNC-XMMPIXPASA-N 457.527 0.992 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1839227402 POAFBUSMFIGWKM-WZONZLPQSA-N 477.562 0.544 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)c(OC)c1O)CCO2 1839375911 ROOFIRJGQQGIRR-WEHRJKGCSA-N 489.525 0.338 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c(Cl)c1 1839422738 KUCVEOOSWKBRSN-HSZRJFAPSA-N 486.912 0.597 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476306 HDGNHXNTXFNWEQ-OPAMFIHVSA-N 484.546 0.890 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488585 ZSJCBMNGVOJLOM-VOIUYBSRSA-N 482.541 0.809 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1839655323 RDZWTEKAWLBMJC-OAQYLSRUSA-N 479.990 0.766 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)cc1 1839669968 HWNJEZIOALVHLR-QHCPKHFHSA-N 467.482 0.397 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c(O)n1 1839781225 JHKNNGWFBAIDBN-XXBNENTESA-N 493.582 0.553 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)C(=O)N4)C2)C1 1839808201 NLKDYDZTELPWQH-RCZVLFRGSA-N 467.522 0.852 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CC1 1839898054 BVZKUIQIOLYWOP-QFIPXVFZSA-N 459.474 0.649 30 20 JCED CCOc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1OC 1840044482 YOALQQSEAZQLIT-HSZRJFAPSA-N 460.483 0.181 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1840147496 VMZSBNDNINRSRC-TVRDVRDVSA-N 478.590 0.894 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)n(-c2cccc(=O)n2C)n1 1840160145 YBFDWHBBENTEAQ-KSFYIVLOSA-N 475.571 0.268 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1840160473 IAYUSVBIBHEBSI-KKSFZXQISA-N 450.561 0.307 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840276414 MHFLHGXMIMZMQK-FHDOQAETSA-N 493.601 0.911 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1840293408 AIXPPLXFXSEVQB-HSZRJFAPSA-N 457.531 0.280 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=COCC3)CCO2)C1 1840563168 FGDAQGAJQAVXCG-FDDCHVKYSA-N 463.531 0.664 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840801065 IEFYHWBRKCGPSB-VGOFRKELSA-N 453.536 0.396 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1840908386 ANBQHZNYYXTKKO-YADARESESA-N 489.573 0.565 30 20 JCED CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840915076 IZNVMKUFYKMPAO-SBUREZEXSA-N 481.546 0.470 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCCC23CN(C(=O)C/N=C/c2ccco2)C3)N1 1845873973 FAGIBYHLUBIIGC-VAEXPLNASA-N 473.555 0.082 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197242 JOGNYKDOZONESC-QGZVFWFLSA-N 469.498 0.430 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1847262109 NBKRNXRFSKXITM-JAYGYPRLSA-N 476.574 0.665 30 20 JCED C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 11966590 GTXWFIREDBORMW-ZKKXHLJNSA-N 452.485 0.829 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1CC(N)=O 608910838 RAFLYWYDTLKYTP-UHFFFAOYSA-N 466.422 0.633 30 20 JCED Cc1nc(/C=C\c2cn(C)c(=O)n(C)c2=O)sc1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 726847815 IOEVZZUUGHMWMZ-VRHVFUOLSA-N 455.496 0.313 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(Cl)c3)n(CCNS(C)(=O)=O)c2=O)cn1 727164926 SVAIBAAVQSWUPM-UHFFFAOYSA-N 491.982 0.232 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)CC1 728534998 ZKMFJBYZHWAXEE-UHFFFAOYSA-N 454.980 0.878 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)CC1 728536295 SPIOORLDVDCOKF-IBGZPJMESA-N 499.431 0.646 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCS(C)(=O)=O 729671133 IQCPKQOFRWMIOE-UHFFFAOYSA-N 469.535 0.508 30 20 JCED CN(CCOC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)S(=O)(=O)N1CCOCC1 731294573 MNXITXHXSQTKRJ-UHFFFAOYSA-N 459.546 0.430 30 20 JCED CCCCn1c(=O)nc(O)c2c1nc(COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)n2C 749003722 DWLYWLCYNJNNNV-UHFFFAOYSA-N 474.499 0.529 30 20 JCED C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCC(C(N)=O)CC1 857763527 IRVVIUAERSQCIW-HNNXBMFYSA-N 476.555 0.615 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 877869559 WDAMABXBHPBVHE-NVXWUHKLSA-N 458.558 0.636 30 20 JCED O=C(COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)NCC#Cc1cccc(C(F)(F)F)c1 914653118 OKNVERWSHLFLDB-DOTOQJQBSA-N 486.468 0.752 30 20 JCED CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 915378845 SQJHZLMUYNYPPF-UHFFFAOYSA-N 481.918 0.922 30 20 JCED CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)N1CCOCC1 918253003 MOKXXUZDTMDYQA-XZSXMJNUSA-N 479.603 0.911 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(=O)N(C)C 918730337 ZZECSUDBHCSGQV-UHFFFAOYSA-N 475.368 0.566 30 20 JCED CC(C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 919352896 ZCUJJTJAYSOYJM-UHFFFAOYSA-N 451.501 0.774 30 20 JCED Cn1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)n1 1298843307 WCKLCWBTQXQDFF-UHFFFAOYSA-N 470.559 0.982 30 20 JCED CN(C)S(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1314679113 VVTGVZNUIWYEKL-QGZVFWFLSA-N 455.541 0.603 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1502435863 LNZQPGNWRKJFSW-UHFFFAOYSA-N 468.562 0.511 30 20 JCED CCS(=O)(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1503282709 UODMBPIRXOFFIZ-CQSZACIVSA-N 458.548 0.727 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1516850437 KFBMVXMVDUODLC-UHFFFAOYSA-N 467.559 0.873 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)N(C)C1CCCCC1 1541942927 MPLNVQCWNONSSG-QFBILLFUSA-N 492.650 0.856 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CN4CCCC4=O)n3CC(=O)NCC(F)F)CC2)c1C#N 1543002052 LKCPIQHXMXJZNJ-UHFFFAOYSA-N 490.519 0.022 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1 1547764641 IVQYCFWDBQFDRA-UHFFFAOYSA-N 478.479 0.753 30 20 JCED C[C@H](CC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1640457240 UFTXQTDNANMCBO-HUUCEWRRSA-N 456.590 0.634 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-n2cccn2)cc1 1692801802 NGMFLFBSKGTLGT-MAUKXSAKSA-N 456.532 0.851 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1nccs1 1706887006 GYJDCKJFUGPACW-DZGCQCFKSA-N 450.594 0.764 30 20 JCED CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1710450094 XWPBEOXPRWSPKL-FQEVSTJZSA-N 453.565 0.610 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1747526361 MJKCZWHTGVLYBN-VGOFRKELSA-N 460.558 0.899 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1748298427 KMIGLKUDXGSWTF-UHFFFAOYSA-N 475.575 0.583 30 20 JCED C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1760368805 NXFBZLPWFMWNNQ-INIZCTEOSA-N 468.967 0.899 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 1760620999 WZFWKEWAQXUITO-UHFFFAOYSA-N 485.614 0.994 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1768526329 NJUICPUFAPKAIN-LJQANCHMSA-N 473.603 0.867 30 20 JCED COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNS(C)(=O)=O)c(OC)c1 1770081458 WBNIORWCNRSLTC-INIZCTEOSA-N 475.575 0.688 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn3[nH]cnc(=O)c3c2C)C1 1780018414 ZBEPTWMYEZDNQC-JTUHZDRVSA-N 455.515 0.497 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c(C#N)c1 1780060052 IPBONYPEEFXEIN-RUZDIDTESA-N 488.504 0.656 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c(C#N)c1 1781173932 IJMLDIWTZUXYCC-VWLOTQADSA-N 488.504 0.656 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781380904 VNANHKXQWITDJR-QFIPXVFZSA-N 453.536 0.206 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1781837288 HCCAELJVJPYZAW-HSZRJFAPSA-N 451.531 0.993 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)cc2C1 1782560455 JBZKXCVBUZUTLF-RUZDIDTESA-N 469.586 0.861 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1782668324 WEYUKNHVJOACEV-LZJSLVMGSA-N 456.547 0.502 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C1)C2 1782852211 UTQLRZUAAOOHOW-KOSHJBKYSA-N 454.527 0.866 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1783271723 HDWMPBXPSZIFLN-TUSFPTNYSA-N 453.536 0.280 30 20 JCED CN1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C3)C2)C1 1783781789 OFNXKRPYHDOLGY-OPAMFIHVSA-N 470.636 0.980 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)CCO2)C1 1783901310 XRYUOEUEYVTWPB-IERDGZPVSA-N 456.609 0.687 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1783919348 DELUYNUAYBLRCL-UTYWTXRGSA-N 461.946 0.322 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)C1 1784385580 VJLMUFFYRKRGDT-KNJMJIDISA-N 461.559 0.607 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)cc1C#N 1785196141 ASSUKCPPDZMZCU-XMMPIXPASA-N 478.509 0.992 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4cc(C)c(O)nc4=O)C3)C2)c1 1785353855 PIOHVCVCYJOOLS-QHCPKHFHSA-N 451.483 0.581 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1785425452 OVRVMDAZVMOFMW-JOCHJYFZSA-N 460.531 0.996 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)N1CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1785611151 NATFQVXDWYTGEF-DSFVOBFGSA-N 461.515 0.692 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOC4=O)C[C@@H]32)c(O)n1 1785772453 CWHASBGGHHBSAV-SNRMKQJTSA-N 458.515 0.951 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786858148 LQJMLVHOSCPDNN-XSLAGTTESA-N 481.594 0.134 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3ON=C(c4ccccc4)O3)[C@H]2C1 1788517040 DZQDHVLNRPPRJM-LCGDVEJUSA-N 468.510 0.559 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678283 WTQJCABUNQEZDJ-UJAPDJEWSA-N 491.589 0.920 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1789890848 YDTFVIKHDLDJBE-SZMVWBNQSA-N 490.582 0.381 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1793154399 DIKCCWMNQRALCY-JTJHWIPRSA-N 471.558 0.542 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@H]2NC(=O)NC2=O)cc(C(F)(F)F)c1 1793944857 DCUSXRJRUAJUFI-IARIHHJXSA-N 479.415 0.378 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794383308 SMERTUQCQJPSIX-GHOVYXJKSA-N 455.515 0.489 30 20 JCED O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795300368 ZMWOZHFMRMXWRP-NQCHAQBASA-N 493.582 0.969 30 20 JCED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c(O)c1OC 1795600194 XJJCQULIBIRPIJ-JLVBRIDZSA-N 460.531 0.894 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(C)n1 1796660252 VRTLHXJNBUSPTP-UKBAYJJMSA-N 457.531 0.905 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1nc2c(=O)[nH]c3ccccc3n2n1 1797103233 AKDDRHMPTSPQBR-INWKQXHISA-N 489.492 0.486 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)C1 1797744527 ZLTMUDZIJKQKIV-WAUMXQNTSA-N 493.605 0.276 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)n1 1797911425 CANHZOKSAOMQAD-BBIADKPPSA-N 479.537 0.827 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)Cn2cncn2)C3)c(C#N)c1 1799240038 WSHZWXYLXQZPDS-XCRNZQRYSA-N 452.515 0.627 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@H]1CC(c2ccccc2)=NN1 1800154674 GHELVOLNJZQKJN-SWIJCCBZSA-N 469.542 0.871 30 20 JCED CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800843721 TZENXHARXHKBFH-DMUMMCEESA-N 479.578 0.689 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801066642 DVKHZAQADXXNIY-LVEJAMMSSA-N 464.563 0.572 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)N2)C3)N(C(=O)OC(C)(C)C)C1 1801104130 ZEQYQCDQZAEZOT-OREBXVKISA-N 462.547 0.420 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1801990062 ZLRRDVNGIUWNEU-YWVIFJGQSA-N 473.379 0.882 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N(C)C)o1)C2 1802124608 CCZDSNBMDDSTEO-DFGXFYAUSA-N 475.546 0.860 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1803175848 AJRIDSJPFMYICA-GWJPWWOOSA-N 498.561 0.851 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](O)N2CCOCC2)CC3)ccc1F 1822964954 OWMXNDCJVBFZAD-YCRPNKLZSA-N 473.530 0.959 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828585562 XQEKGPADSPOYKU-RUZDIDTESA-N 498.536 0.441 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1829260357 PMARBYOBMYDNHP-XMMPIXPASA-N 454.527 0.986 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1829345683 LIAGUDCIAQCOQS-YRAONVGVSA-N 476.599 0.480 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccccc4C(=O)OCCO)C3)C2)C1 1829669780 GPGNZEGPVXRALN-DEOSSOPVSA-N 458.511 0.872 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c[nH]c4ncccc34)C2)C1 1829773640 PGHTVGWPZYQHLD-JOLZLKTMSA-N 481.553 0.810 30 20 JCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cn3c(nc2=O)SCC3)CC1 1830150088 DPRLUTISUSNNRS-QGZVFWFLSA-N 458.540 0.599 30 20 JCED CS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830467229 YFVLITKJQNRAQG-HXUWFJFHSA-N 454.932 0.193 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CS(=O)(=O)CC)CCO2)c1ccc(O)cc1 1831345922 RFDVDZOBKFSSRQ-RDPSFJRHSA-N 492.594 0.780 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=C[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 1831388550 ZIUMRZNBMMSLKL-PUFAWVJESA-N 491.585 0.951 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1831397685 VWQXXRXRFLQBSU-UQJUWTFNSA-N 475.517 0.498 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1831438493 SQVZXEKIQHRSSM-GGUMNFRJSA-N 495.573 0.960 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831462633 CJSQYUPZBHRCMZ-AOMKIAJQSA-N 481.546 0.377 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2csnn2)CCO3)c(C#N)c1 1831754931 MGLOSWMQJCJNSP-NRFANRHFSA-N 457.512 0.731 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1831770974 QTGPMXFKQKLQOX-UZFJHSOTSA-N 475.546 0.949 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1832005834 SFRBNJZMBAAGKH-HOYKHHGWSA-N 492.573 0.773 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)CC1 1833076657 HITADSVHQNRUPA-VMXOYPLMSA-N 464.563 0.032 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(Cc4ccccn4)CC3)CCO2)C1 1833108845 MKPJBSDEVZOOLP-QFQXNSOFSA-N 484.597 0.788 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(OC)nn3C)CC2)CC1 1833952488 PBVBMQXLJPQSCC-WAYWQWQTSA-N 458.563 0.472 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835068116 NHTYCEGQOOSFKO-SFTDATJTSA-N 492.665 0.541 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835197179 QLRKYDFKWKQEBW-YADARESESA-N 479.574 0.786 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1835356903 RIOUXLDRGIWSDX-ZJSXRUAMSA-N 456.543 0.648 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1)N1CCN(C)CC1 1836170322 DQAJBWUXBSWTSC-SFHVURJKSA-N 455.607 0.707 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)CCO2 1836289784 IGIGNOKJKOUDAG-HSZRJFAPSA-N 470.530 0.212 30 20 JCED N#Cc1ccc(F)c(C(=O)NC2CCN(C3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c1 1836464211 ITJRMQDVYXTNOH-IBGZPJMESA-N 470.505 0.481 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836848258 NUQBOFXWILOGKG-XMMPIXPASA-N 467.526 0.498 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1837491488 OAPANVHBSILAMF-DEOSSOPVSA-N 468.510 0.991 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1837530912 SWJQJCPKWYBCOF-XNTKYKATSA-N 498.540 0.866 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837563720 XJTZTXAICNWXAC-JBMWNJKUSA-N 452.471 0.511 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CSCSC1)CCO2 1837569117 GVAKSIWBBFOOOC-HLIPFELVSA-N 457.618 0.524 30 20 JCED CCOc1ncc(Cl)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838114273 CSBXGYQTYVVBPS-HXUWFJFHSA-N 451.863 0.292 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1838193270 WKRMWFZCZSMGEW-QHCPKHFHSA-N 458.563 0.499 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)cc(OC)c3F)CCO2)C1 1838549084 BNLHPKJOVLLCDZ-QMHKHESXSA-N 464.490 0.951 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839036668 LIQPNPIUJUQLOX-FYSMJZIKSA-N 483.500 0.914 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1)c1ccccc1 1839078265 NOYMTCFVYVAWPF-UEOMBKFZSA-N 455.555 0.363 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1839174913 CZXSDFNAHQIZMN-QFIPXVFZSA-N 457.487 0.309 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1839185010 KOEYFMIPWOPIEG-HXOBKFHXSA-N 492.577 0.745 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cn5cc([N+](=O)[O-])cn5)C4)C3)c2c1 1839487588 OHFRLGPALHFEEO-JOCHJYFZSA-N 494.468 0.309 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cncn1 1839489038 MIINZTKKPWWYMG-NYHFZMIOSA-N 464.486 0.357 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nn(C)cc3c1)CCO2 1839503416 KSZIBXANKUBUBG-WNWNSBFKSA-N 467.526 0.502 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NO[C@@]4(CCCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 1839805805 QGUYBVDORMTYRN-ZEQRLZLVSA-N 490.557 0.622 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839887176 YMOBCDCYNWKGGH-YWZLYKJASA-N 477.505 0.540 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5(O)CCCCC5)C4)C3)(C1)C2 1840005654 MSLREDVCALWVLN-OOEPIQFGSA-N 474.554 0.485 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1)c1ccc(O)cc1 1840221683 FQFGFOJGIOUDJF-KJWPAHLWSA-N 453.539 0.874 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1cncn1)CCO2)c1cccs1 1840357893 OYNTZPRBEWVUKR-YEFOHOTDSA-N 459.528 0.625 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840896709 OPPWLDCEZMZNQZ-JOCHJYFZSA-N 495.623 0.002 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848074064 WKJQFPKTSLMKHT-OALUTQOASA-N 453.681 0.970 30 20 JCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cc(OC)c(OC)cc2OC)c1=O 502487736 MFPSIIPPDQDOFL-UHFFFAOYSA-N 458.536 0.826 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C1CCN(C)CC1 516372575 JJRVPQYFTCZWTL-UHFFFAOYSA-N 466.563 0.753 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C1CCN(C)CC1 516828629 VRIUUBPXYHVJRO-UHFFFAOYSA-N 466.563 0.768 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCNS(C)(=O)=O 524281192 LGRBFFIVAOXJRR-UHFFFAOYSA-N 490.651 0.804 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 524282028 MQVATZJAPPOZNA-UHFFFAOYSA-N 462.597 0.049 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(=O)N(C)C 604270062 COLOSQKSIIKKJD-UHFFFAOYSA-N 470.551 0.204 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3F)c2=O)cn1 608884173 APANHIYHPBXBTC-UHFFFAOYSA-N 466.494 0.804 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)C1=O 726041960 AEAJWOQSOPOELC-OAHLLOKOSA-N 462.503 0.004 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 769187384 VKUWDEKGEYVJPM-UHFFFAOYSA-N 487.494 0.637 30 20 JCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1=O 906486627 OICUEKRYITXOGX-XOBRGWDASA-N 469.564 0.854 30 20 JCED N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916964143 AZGMGLFAMQLSMD-QGZVFWFLSA-N 484.490 0.539 30 20 JCED COCCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 919665242 SKUTWPRCRZSWPD-QGZVFWFLSA-N 465.528 0.720 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C1CCN(C)CC1 920398158 RRIVYBKDKBJMRL-UHFFFAOYSA-N 472.615 0.394 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286629125 KIAHCAUAVAGSJX-KBPBESRZSA-N 468.001 0.377 30 20 JCED CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1297988637 NUMUSHYLDQXZKZ-IBGZPJMESA-N 450.547 0.901 30 20 JCED COCCN1C[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1301855947 JACJCGHMBYGTHA-CVEARBPZSA-N 454.491 0.149 30 20 JCED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1307599694 QZQJBDIXUNBOPL-NJAFHUGGSA-N 452.602 0.795 30 20 JCED CCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514264237 MLQTXWZKLQBDIR-UEXGIBASSA-N 481.623 0.339 30 20 JCED Cn1c(CCC(=O)N=c2cc[nH]cc2C#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1520948709 NCEGIWAMVRBTGN-UHFFFAOYSA-N 454.512 0.854 30 20 JCED CNC(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1554488926 WVIXIHBGSFWOCL-HXUWFJFHSA-N 452.563 0.508 30 20 JCED CCN1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1615895071 PVVNMKAJXHZCSR-RXVVDRJESA-N 498.629 0.081 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCN1CCCS1(=O)=O 1617906799 JNFJGTLMTYMXLQ-UHFFFAOYSA-N 457.560 0.944 30 20 JCED C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1691013690 XDRRZYWVCYNQOE-SFHVURJKSA-N 494.600 0.996 30 20 JCED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1695444675 PWAAKOOBUQUJCS-UHFFFAOYSA-N 461.548 0.337 30 20 JCED CCOc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1696156995 JPUXEJRSUGOWQG-RBUKOAKNSA-N 476.559 0.787 30 20 JCED CO[C@@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(C#N)cc2)CCOC1 1711628557 QWTUSLAARDEWQX-SIKLNZKXSA-N 490.586 0.925 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(S(C)(=O)=O)cc1 1760697462 ZSARAWVBISVTRJ-MAUKXSAKSA-N 496.615 0.659 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)no1 1779122544 CYXLKBOHPHUNTJ-OMJZWIOZSA-N 463.491 0.072 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C)CCO2 1779288212 NKPZHXPWALVELQ-HPCCJCSGSA-N 476.574 0.976 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1779358806 FJFZGZBPVPIYDL-NWKSEYAWSA-N 461.523 0.777 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1779422336 DBAXMZUJWXSWAQ-RIQXCASCSA-N 463.491 0.544 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1780802659 XVLOAZNEUQDUPM-IUSZMWJPSA-N 459.507 0.346 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)N1CCN(C)CC1 1781096336 RQRBWNAUPSEOIC-XDHUDOTRSA-N 465.558 0.514 30 20 JCED Cc1cc(Br)c(N)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561462 SMGVJJLODGCYSY-LJQANCHMSA-N 450.289 0.871 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1783765260 KPISHVAYTGIFGB-DMPWYTOCSA-N 452.552 0.797 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)C1 1783766528 YSRTWIXVYUUOLY-JKSBSHDWSA-N 487.619 0.966 30 20 JCED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C[C@@H]21 1784030983 ULJLHCGECBYATQ-FHWLQOOXSA-N 498.584 0.182 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(=O)(=O)CC)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1784453107 AKYGDDWLVFCFBG-VJANTYMQSA-N 499.630 0.966 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785308881 YVCGMUXPEWTYDY-VGOFRKELSA-N 452.552 0.812 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCNC5=O)[C@H]3C2)c(O)n1 1786258750 SCZVFLIUDZABEK-XERREHJYSA-N 494.552 0.753 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788657899 BFDGNYPMORXUMO-YOBGVURZSA-N 452.552 0.800 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(I)cnn1C)C2 1793343164 NLZIMOSDXPQLCW-GUIRCDHDSA-N 486.310 0.266 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1793352562 XZAPOUISTNYDOR-KYHREEPGSA-N 481.590 0.929 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2 1793361738 RLNLZLWUMXHSHS-UYTYNIKBSA-N 469.579 0.831 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc3nc(Br)nn3c2)CC1 1795929082 LMOSDZGROLKRCO-AGGWBTHJSA-N 459.304 0.999 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994390 GNIUNVYIBDPZEI-JFILPPLUSA-N 482.463 0.883 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1797708289 PDOBZBNYJLHBHH-BDPHEOEISA-N 481.590 0.519 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)[C@@H]1SC(=N)NC1=O 1797783359 NIZDTYZINZSLJP-XHHISWJOSA-N 462.572 0.077 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Cn1cncn1 1797894247 HKDSJSPAXIPRLH-OYSTVDSJSA-N 476.578 0.973 30 20 JCED CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)ccn1 1798684790 YZTHJYNFMDWTLI-IZZQQSIFSA-N 457.531 0.743 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693968 LHBMFNWDYYQJRT-MGGVOPSTSA-N 473.530 0.460 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2 1799321982 VNXLPMDCYPVLBX-WPVAHCMFSA-N 496.605 0.587 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccccc1-n1nccn1 1799671037 LTULXDZESAGDSN-NYYXBFEKSA-N 468.514 1.000 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C(F)(F)F 1800547677 DFLSMZFBTINFRE-CRWXNKLISA-N 451.442 0.580 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)C2 1800990108 ZABZCYVYWWFKDV-ZLXUVUDQSA-N 457.593 0.655 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)n2cnnn2)C3)cc1C#N 1801851029 WESAGXJROQBQRC-XUMLPFHTSA-N 453.503 0.796 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 1801868611 CEHVMFLDIFJTMM-YZIUBNRHSA-N 467.522 0.892 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1802479061 XTUBITUCTBJAQG-XBAYNOOWSA-N 465.510 0.261 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)CC2)C1 1804856490 IMHOPVGCFZILCS-PLNGDYQASA-N 485.610 0.981 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810292078 NODNYDNPMLCLLH-ZAORYQQOSA-N 458.563 0.710 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1814207186 FKSMEDAATQDZFF-ABSDTBQOSA-N 482.541 0.880 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815670968 SGDVMQFHAKAHGG-IRXDYDNUSA-N 467.592 0.705 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820021021 AIPZAGCJCDJMGM-CQSZACIVSA-N 453.507 0.886 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCNC1=N)CC2 1828285096 VESKHICEPMCFCZ-ZFWWWQNUSA-N 489.602 0.812 30 20 JCED Cc1nn(C)cc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828613541 RDAWEOMZWCEAFS-RUZDIDTESA-N 493.520 0.882 30 20 JCED CS(=O)(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1828909679 JIQBVEDHTFWEKV-OAQYLSRUSA-N 462.528 0.397 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829228387 SOJFUBPNSUCOQM-XMMPIXPASA-N 489.525 0.259 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=N)N)C2)C1 1829342812 OJLGBUOYLSWEPO-YCRPNKLZSA-N 462.576 0.240 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)nc3F)CCO2)C1 1829528358 LYYSRKFXWIHFDQ-OAQYLSRUSA-N 451.474 0.712 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1829766322 RGDATTOELRZKCE-RMUOZIPVSA-N 461.544 0.344 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1 1829945118 RREJTZGFAPQOCP-GBXCKJPGSA-N 454.527 0.473 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1830468900 XJKAAZVWHYGLIU-QHCPKHFHSA-N 480.912 0.899 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1831387932 MXJFXGFIMPYURY-AXHZCLLHSA-N 495.573 0.117 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1831432859 ORKWBORUMIUHFD-OYHNWAKOSA-N 479.486 0.970 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cnc3cc(Br)ccc3c1=O)CCO2 1831562978 FCNIJNIMIRJICS-NRFANRHFSA-N 489.326 0.249 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1831997917 IEDUJIGDSWSRHR-OPAMFIHVSA-N 478.550 0.355 30 20 JCED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@@H](N)C(N)=O)CC3)CC2)cc1 1834735074 IPJHCJFXNJCBFI-OAQYLSRUSA-N 454.575 0.531 30 20 JCED CN(C)c1cccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835675333 NXLVSFRWBHQUKG-RUZDIDTESA-N 487.601 0.870 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1835677261 DFEHAPAZQJCGAL-XMMPIXPASA-N 466.542 0.982 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc4cccnn4n3)CC2)CC1 1836076600 HXVKHBZPRLEGAR-WAYWQWQTSA-N 465.558 0.773 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837491731 WSIXVPSTVYPTNH-DEOSSOPVSA-N 467.526 0.498 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837524376 AGFUCPBMCBJCFR-OJCDQFDKSA-N 495.573 0.951 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1837560191 SKXJCBLSQLSHBU-AMFJNGDOSA-N 466.498 0.600 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CCN(C)CC4)C3)C2)c1 1838578635 KMUJVNQRKMJENF-XMMPIXPASA-N 456.543 0.979 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1C 1838834344 WENIJBZKJINPAT-QHCPKHFHSA-N 460.531 0.197 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1839130897 ZOIJESSWUGBIMN-XLNZFTOWSA-N 494.589 0.274 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn(C)cn4)C3)C2)c(C#N)c1 1839131920 HZZQIRJCIKTNNF-QHCPKHFHSA-N 453.499 0.613 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c(C#N)c1 1839132029 NZPCIERSPQCIAA-DEOSSOPVSA-N 470.526 0.188 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1839171892 HXIXCHUXEIDDIA-NRFANRHFSA-N 453.442 0.939 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1839174855 ALRXRBDHDMCFEX-DNQXCXABSA-N 487.509 0.687 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)cc1 1839362295 JWRWCCLFHYVECS-XMMPIXPASA-N 478.509 0.076 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452532 GMPMKAQCERKZNC-HXOBKFHXSA-N 457.531 0.644 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476799 JRVZYJYNKASACV-DJJJIMSYSA-N 460.549 0.618 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840051499 COXPHUSIAOKFMY-PDSFRDGWSA-N 455.511 0.961 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)CCO2 1840055397 SYLGIWBNNPNOCU-CPJSRVTESA-N 487.553 0.918 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2)C1 1840171105 OVMSXXWJAMBMPA-ZHYZESQWSA-N 487.619 0.681 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(O)cc1 1840220603 VIDUSFOYPFCQLY-CYFREDJKSA-N 454.479 0.434 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840294882 RNSPTALLDOBZNU-WZOHSFFVSA-N 493.601 0.864 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c1 1840381865 XAIGQZOLVZECIC-HXUWFJFHSA-N 460.491 0.678 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840571615 DAPCXCVFVMKVRR-DVECYGJZSA-N 480.606 0.864 30 20 JCED CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)C(C)C 1840819701 AQZHOOLJWWXGJZ-UPVQGACJSA-N 473.526 0.981 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840903844 JPPDICQTTZBQFI-DVECYGJZSA-N 459.543 0.772 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1840908356 KDYSUUXIPKVDPB-NRUMPKIHSA-N 487.557 0.796 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C)C2)C1 1840909569 WHSBAYMPFGUWOT-MBSDFSHPSA-N 466.579 0.311 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1840913142 ZOFFBBBTRFZUQO-IEGYKGNPSA-N 480.562 0.047 30 20 JCED Cc1cc(C(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)n(-c2cccc(=O)n2C)n1 1843131927 LWUPTGRAAXJNAR-UHFFFAOYSA-N 465.558 0.978 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C1 1844166143 IZPHWAPEFRIVOH-MSOLQXFVSA-N 492.621 0.775 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@H]2C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846122131 MJJDUGCTKNGHQU-INIZCTEOSA-N 461.515 0.551 30 20 JCED CS(=O)(=O)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3)c2)CC1 15401326 OXWZLTQEEXUPAX-UHFFFAOYSA-N 471.605 0.453 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 24976919 MTKOLDKAAGILNO-GOSISDBHSA-N 469.516 0.706 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC2=C(C(=O)OCC)[C@H](c3ccco3)NC(=O)N2)c1=O 27580974 PEINPBTWJYOOMO-INIZCTEOSA-N 457.443 0.008 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC(C)C)cc1 514618006 QCJJKBBLSBROPZ-UHFFFAOYSA-N 467.551 0.685 30 20 JCED Cn1cc(S(=O)(=O)NCC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1 515243017 PMZVLEKZJGMMLL-UHFFFAOYSA-N 460.495 0.226 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)CC2)nc1 516096216 QGVQOPXRANDBSD-UHFFFAOYSA-N 454.512 0.681 30 20 JCED CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 516732270 HIALZGNPSFHKIW-UHFFFAOYSA-N 461.526 0.628 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cc(OC)ccc1OC 523253967 GYRFNRAWYDSRJT-UHFFFAOYSA-N 480.546 0.967 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 603795446 VJQPCGSUMPXYCG-UHFFFAOYSA-N 473.551 0.707 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(N)=O 608911980 YFAPGFIFVCBFEE-UHFFFAOYSA-N 450.467 0.416 30 20 JCED N#Cc1ccc(N2CCC(NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)nc1 608951119 RNNYMXOAMAVPKS-UHFFFAOYSA-N 468.539 0.473 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)c3c(Cl)cccc3Cl)n(CC(N)=O)c2=O)cn1 727160788 KXTFUFIYPZDVRP-UHFFFAOYSA-N 462.318 0.821 30 20 JCED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)CC1 729055584 GAUMBAKOVYKGQY-UHFFFAOYSA-N 491.552 0.536 30 20 JCED CCS(=O)(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 729559959 PZCCZLADZFIHSK-JZJYNLBNSA-N 457.578 0.999 30 20 JCED CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 769206064 OOVAZHARCMFOCT-AWEZNQCLSA-N 451.501 0.570 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 856409437 RBTKLZIFIIACTC-AWEZNQCLSA-N 468.470 0.321 30 20 JCED CN(c1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1)S(C)(=O)=O 917229135 WJZQNKKNRRDDGO-UHFFFAOYSA-N 465.509 0.658 30 20 JCED COc1cc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc(Br)c1O 918730331 ZMKHURUJDGIXNO-UHFFFAOYSA-N 463.313 0.501 30 20 JCED Cn1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1314906905 VXGYGESLHIAKRE-XLIONFOSSA-N 462.580 0.717 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 1555811370 ZKPZOBOXBRYEEP-UHFFFAOYSA-N 478.600 0.723 30 20 JCED CS[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555842653 WGOCGZSHHGQLAZ-DJIMGWMZSA-N 469.637 0.539 30 20 JCED CC1(C)CCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1692860716 OEQIDNPXNSPIBF-XPGWFJOJSA-N 470.571 0.994 30 20 JCED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1708147526 QUAOMUMENLCSAG-WBVHZDCISA-N 457.560 0.765 30 20 JCED CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1727261373 WYZBJRSJTHCHLG-NVXWUHKLSA-N 462.580 0.907 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740803658 UHKKZNCMNVMVST-LSDHHAIUSA-N 497.043 0.272 30 20 JCED COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1771119261 JLSPOINMGGROFA-RBUKOAKNSA-N 476.559 0.707 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1779106873 WTUZWYVABUIINJ-VJIOCRDPSA-N 470.486 0.062 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779947162 KFBTUBDOEMTOSW-QFIPXVFZSA-N 484.538 0.411 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(N3CCOCC3)c1)C2 1782015566 TXALAWSNJHAVJO-HYBUGGRVSA-N 455.511 0.739 30 20 JCED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1782190644 FPZQWAJOEBOIFD-IPRDPGLQSA-N 490.626 0.484 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782810365 NBFCNXKZLYIGLB-MCEYFSPLSA-N 483.613 0.734 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(CC(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)C2)C1 1783565576 ODUVGAJLMWKTIB-DEOSSOPVSA-N 475.542 0.942 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785381993 LODGRVMTQLSQCV-YKSBVNFPSA-N 480.525 0.237 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)c(OCc4ccccc4)c[nH]3)[C@H]2C1 1785461428 CRVFLZIDPNOEQX-WFXMLNOXSA-N 479.489 0.635 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1785576130 HLGPVJLWXFJQKG-QVKFZJNVSA-N 452.508 0.089 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC)[C@H]2C1 1786973789 PLIMTCSGMNASJL-VMXHOPILSA-N 450.580 0.881 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788648553 OWWFDGLUWQTJER-QUXXCFOZSA-N 496.605 0.086 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)[C@H]2C1 1790869540 SHGCDETZKBJFAU-VRDPRIIGSA-N 478.590 0.960 30 20 JCED COc1cc(N2CCC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](C)S)[C@H]4C3)CC2)ncn1 1791260799 VCJUPKMPXOZPNQ-DKIMLUQUSA-N 463.604 1.000 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1793598926 HIWOXDDNGKDFKV-CWQOZTLDSA-N 485.603 0.623 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccn(Cc2ccc(F)cc2)c1=O 1794406600 MOMYRDSDPGVXSR-RDPOXOKHSA-N 482.512 0.672 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794427311 DIGQYGJSGOYTSH-ZXFNITATSA-N 452.533 0.489 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)[C@H](O)C1 1797309456 BBXDPBDJMTXEBR-YWIBANCPSA-N 475.586 0.997 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)NCC 1797698134 GYJJQPMZCVHWGN-FNMBMEHKSA-N 493.605 0.753 30 20 JCED Cc1c(Br)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)nn1C 1798715028 DPHOHDIUYJYRSX-MIFYACCESA-N 481.395 0.976 30 20 JCED CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3n[nH]c5ccc(C#N)cc35)C4)CC2)CC1 1799191530 FOIVTHWTJPATIB-RMFSNUHRSA-N 477.569 0.418 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1799366021 DMUVPMUDEFYSBR-AXVVYFOYSA-N 483.562 0.361 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCN3CCOC3=O)C4)c2c1 1799882323 GNMZTYOHBRAAGJ-CCWDJLKJSA-N 452.471 0.480 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1800024715 NWLJQQZUDGTQJF-XMTFNYHQSA-N 492.573 0.864 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cnc2c(c1)CCNCC2 1800243190 QFLSRBVNPGYXQN-NHUAPEHZSA-N 471.558 0.502 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2)NC(=O)OC(C)(C)C 1801931579 PHMXLGTZFFZWEG-NXEZDXNNSA-N 463.535 0.311 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NCCC)C2 1802124581 FCMPXQCVSCMMBU-NYUBLWNDSA-N 478.590 0.799 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOC)C2 1802139751 HMCKSEUFYWJBJA-XSDDWTICSA-N 467.563 0.708 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1802581306 PWEQNSGFPNHMHR-DHLKQENFSA-N 465.554 0.488 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1808433368 SDKYNKWNVOIUFH-FCEWJHQRSA-N 457.487 0.195 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1810360709 RDLDNHHDWUFKRY-NGMZBTIQSA-N 472.502 0.215 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810362210 YURADFUGWRKRNZ-RKZJXVTJSA-N 475.546 0.768 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1811730387 UFPZJWZXLNFWGS-WMZHIEFXSA-N 469.517 0.699 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)CS(C)(=O)=O)n[nH]1 1815225119 NJTGBVWHXHCLKJ-PLDWVVQRSA-N 451.549 0.941 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1819709896 QORLYTZRGLRZPF-BZNIZROVSA-N 458.544 0.882 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1828517462 ASFRNCVTUAUEOH-QHCPKHFHSA-N 470.530 0.657 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)CCN2C(=O)OCc1ccccc1 1829055441 LLBHYPBXEBDNHF-WVCKHHOPSA-N 497.577 0.874 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cccc(O)n3)C2)C1 1829332157 ACXKTHAXRSUUPR-RUZDIDTESA-N 492.488 0.941 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829636397 YJULSPNKEFBDST-ZEQRLZLVSA-N 473.526 0.563 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3OC)C2)C1 1829762255 AXTNHXDNTXPAAN-XXXZYALBSA-N 473.526 0.389 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1829764507 OACAIEYGGHZNNQ-VKUXZERMSA-N 464.906 0.369 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1829773338 HGFPOQBOOYPKQQ-RTCDDDCJSA-N 477.945 0.688 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829908536 HMIUZZRNHKHKJJ-ZJSXRUAMSA-N 456.543 0.862 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)[C@@H]2C1 1831221122 FEGVBXXBTYVGRK-XDSPWSPCSA-N 473.570 0.969 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC)N(CC)CC)CCO2 1831658400 FCHBZMJXPAGKKQ-JENHRLMUSA-N 450.580 0.422 30 20 JCED Cc1noc(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1832558559 ZZKUOAZBKVYTNZ-FKTOORKZSA-N 464.519 0.819 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c(O)n1 1833696176 UOWXNSCCNXMKDY-QHCPKHFHSA-N 474.514 0.428 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834239557 CIZDHYAOCGKLDP-GAZXMLTASA-N 489.573 0.960 30 20 JCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)CC3)CC2)CC1 1834599987 KMRBASPQNJHAGZ-OAHLLOKOSA-N 468.558 0.868 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1)NC(=O)OC(C)(C)C 1835517043 QEWIDXHKOYLDML-ZHRRBRCNSA-N 499.634 0.929 30 20 JCED CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835752634 WCRJGIANPBCXSB-UHFFFAOYSA-N 477.675 0.741 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C3\C(=O)Nc4ccccc43)CCO2)C1 1837325798 ZKEKPDMEYSBFOA-XDCGKPNXSA-N 483.521 0.988 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837427287 OBNZBJTZUKTJQI-QFIPXVFZSA-N 466.655 0.765 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1837428768 DHONNPNUPMAITJ-FQEVSTJZSA-N 489.582 0.219 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nc2nccn12 1837492889 YXCHFKIDLRRBAE-RUZDIDTESA-N 481.553 0.806 30 20 JCED Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1Cl 1837531358 KIBFRRHOQKDFKN-XXZIPLLVSA-N 469.926 0.673 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1837559745 GATJSDJDAIKMDP-UJQBESDUSA-N 499.524 0.161 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1)c1ccccc1 1837612320 CEBAFJRSMLJHDA-BPYKYCOYSA-N 453.539 0.919 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837837672 HFZIRSROPWNKNK-QFIPXVFZSA-N 462.934 0.899 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cnncc5C(=O)O)CCO4)C3)c2c1 1837949787 VWBMXRADVXDRHO-QHCPKHFHSA-N 491.464 0.307 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)c(C#N)c1 1839131965 KOMHJRPVEXORLF-RUZDIDTESA-N 480.521 0.428 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Nc4cnccn4)C3)C2)c(C#N)c1 1839132473 HQETUTNEDWIAKF-BVZFJXPGSA-N 494.552 0.856 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)no1 1839186807 OVYNAKYSQKPTGE-JOCHJYFZSA-N 457.462 0.630 30 20 JCED Cn1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2ccc(F)c(C#N)c2)CCO3)cn1 1839189456 LSMVZUSJSGCCIB-HSZRJFAPSA-N 455.490 0.672 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)COc1ccc3scnc3c1)CCO2 1839723945 ZZHNAIRBJYRILL-QHCPKHFHSA-N 486.550 0.271 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]4CCO[C@@H]43)C2)C1 1839810744 PKWXPIWOLRHAKF-NYCQLSGJSA-N 477.558 0.348 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2)c1ccc(O)cc1 1839881287 RXIVLNPSHNRTIT-CTIGNXTNSA-N 471.554 0.870 30 20 JCED C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840026595 OSZHZHRRXZZOIO-HXOBKFHXSA-N 480.562 0.364 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1840147197 LRXINABKKJUMGH-YZZKKUAISA-N 458.515 0.936 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840164774 GURVUTKMTBPVNG-HTAPYJJXSA-N 453.536 0.132 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1840170439 GHRRKPWNANPSIS-RUZDIDTESA-N 465.506 0.990 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1840176504 DXLMSGIRCBIPSV-DNQXCXABSA-N 473.526 0.563 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2)c1ccc(O)cc1 1840233671 XUXKLFKLHIYLOC-WOVHNISZSA-N 483.565 0.872 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840262893 NFHPLLZJQDRTPG-QHCPKHFHSA-N 475.618 0.419 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1840292780 KVTJLNDSJZVOQC-JOCHJYFZSA-N 463.556 0.749 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)n1cnnn1 1840476890 SUWKYEQMAAGUMC-XHSUDLSASA-N 460.516 0.191 30 20 JCED CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1840790891 IIAWUARKMOMEOQ-DEOSSOPVSA-N 471.510 0.829 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1840912481 JTSDAMODMLRKFQ-AIYSXCBHSA-N 492.529 0.920 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843350510 ZAHVWTWKGZJGII-RBUKOAKNSA-N 470.574 0.483 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843838673 CLFKQNNSKOWFJM-SFHVURJKSA-N 496.630 0.778 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 14711406 PCKUBOLSTZGUQE-UHFFFAOYSA-N 477.564 0.549 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 18760284 FSSOIVFCHCDFOY-QHCPKHFHSA-N 498.517 0.981 30 20 JCED N#Cc1ccnc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)CC2)c1 29446520 UXRNITMSDQBHMJ-UHFFFAOYSA-N 472.546 0.747 30 20 JCED CCCNC(=O)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 501878091 XIFYSNZZLABAAO-UHFFFAOYSA-N 461.588 0.629 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccnn3C)c2=O)cc1C 502008485 IFETXDXCKNFRLY-UHFFFAOYSA-N 492.605 0.201 30 20 JCED CC(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCN(C)CC1 514462284 WSUXKDFKLGISHW-HXUWFJFHSA-N 462.620 0.846 30 20 JCED Cc1cccc(C)c1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccn2)c1=O 514475212 SRTQQKWLAXAEBQ-UHFFFAOYSA-N 489.601 0.862 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(CCNS(C)(=O)=O)c1=O 589160755 NBNVLBUKGGSPOM-UHFFFAOYSA-N 477.608 0.976 30 20 JCED CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 590612329 SXSYNNXNCPKWCL-UHFFFAOYSA-N 453.502 0.153 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc2c(c1)OCCO2 619538893 XDNRVSNRRFCTTJ-UHFFFAOYSA-N 469.544 0.997 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 728533683 OWDNOYBUPJDPBY-QHCPKHFHSA-N 498.580 0.835 30 20 JCED CCCCN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 769640903 LHYWLIQCASMENP-MRXNPFEDSA-N 471.557 0.196 30 20 JCED CCN(CCC#N)C(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 918807181 TZDBHQSWJVHXGJ-UHFFFAOYSA-N 464.544 0.605 30 20 JCED COC(=O)C1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 1128962117 KMODZLIHXBBENW-UHFFFAOYSA-N 451.501 0.635 30 20 JCED CCCNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1515075378 QCWPBSBVQUHTAP-SFHVURJKSA-N 486.602 0.690 30 20 JCED C[S@@](=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1519626471 JBPOIAXOYGVHME-MHTXLSKPSA-N 456.594 0.262 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1([S@](C)=O)CCC1 1541943459 WTXVCPFQZILNOB-WJTLPSFJSA-N 469.637 0.366 30 20 JCED CN1CC[C@@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)C1 1618466197 KVRLJAXILDDBSK-UGKGYDQZSA-N 489.602 0.186 30 20 JCED COCCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cn1 1619922771 MQRFLUFBALORKE-DNVCBOLYSA-N 450.569 0.910 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1 1705681134 NXPHZPCESQLVPZ-ZDUSSCGKSA-N 471.385 0.914 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCC(=O)N3CCOCC3)CC2)c1C#N 1707807721 KKIFPKXFLSAUFY-UHFFFAOYSA-N 455.567 0.891 30 20 JCED Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1742113506 WJJISMYIFSZPFR-WIYYLYMNSA-N 461.544 0.752 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1750210513 TXDDNKSKURFDQB-QGZVFWFLSA-N 493.615 0.180 30 20 JCED CCOc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1767641918 QLVPWCNFXBWVTB-QAPCUYQASA-N 474.591 0.907 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1767848112 WSEBRUBEGPVHDY-UHFFFAOYSA-N 453.532 0.483 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c(C(F)(F)F)n1 1778848569 IHLTUWHSBBXIAN-IBGZPJMESA-N 478.435 0.749 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065211 PUSSLIIGTHMXKL-AUSIDOKSSA-N 464.515 0.010 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)[C@H](O)N4CCOCC4)C3)c2c1 1779415895 PDRPBFDAGQRYCI-VEXUSMLFSA-N 482.541 0.213 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1780159063 VCADBPHLYIQKRO-CFUMORPUSA-N 472.542 0.751 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1780533277 MAYMJKOBDAUXEV-OMXJDXKCSA-N 459.474 0.546 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)Cn3nccn3)C2)c(C#N)c1 1780820653 ARZOXAGMPGIIQZ-NFBKMPQASA-N 452.515 0.915 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c(Cl)c1 1781107052 IXSUGVSWEIQIOP-VGOFRKELSA-N 496.915 0.779 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)CCO2 1781265444 NMINJSGNJFXKBC-VWLOTQADSA-N 499.568 0.361 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1782107895 PNTUCTOULYBHGC-QZTZHPFYSA-N 492.621 0.810 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1782468047 YGMHQVVWQAQNDQ-UGTJMOTHSA-N 461.563 0.562 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1782634282 ZRSRAKKSQFUBDN-OJQJISPUSA-N 462.547 0.773 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(=S)NCC)C3)C2)c(O)n1 1782638548 IBPMIORJIPUOCT-QFIPXVFZSA-N 461.588 0.833 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782641099 WKHZDYAAZKVULM-ZHRRBRCNSA-N 483.635 0.770 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782809001 ODEQXQSPDOCYJB-RHQSAMMMSA-N 455.555 0.490 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3)[C@H]2C1 1783590366 VVYLRWYOLSRHQN-HAGHYFMRSA-N 462.591 0.979 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783612391 WHGHYIXGKHAAFK-FXKZBUDASA-N 465.547 0.225 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)C=C)CCO2)C1 1783769172 XXMGFJIOZPPZKJ-YGKZAACZSA-N 464.563 0.976 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088109 JOONFOXNTKDWSV-AOMKIAJQSA-N 450.536 0.647 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784381476 GRILQCIIIPWAOQ-HVTWWXFQSA-N 461.559 0.750 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788191023 DZHOZEMJBJIVJO-TUFLPTIASA-N 493.649 0.683 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)[C@H]2C1 1788199581 HZGHDCNUWJJWFT-DUSBTPNUSA-N 469.582 0.905 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1788771121 MZRYWYSNSBOVJN-KJJMTIBFSA-N 456.543 0.622 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)C4)[C@H]2C1 1789134974 ZTHHTAFKUNZNPV-BQFCYCMXSA-N 457.531 0.860 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1nc2ccc(F)cn2n1 1790529729 LKHBUXNFFPNEJY-AUBQBYDKSA-N 474.493 0.991 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=S)NCC)[C@H]2C1 1790567907 UJSADLMZZIUPIH-FJIDUMEYSA-N 497.662 0.920 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CC(=O)NC2=O)cc1C#N 1793835218 HTHPMWRYMAXKPV-UPHUGPLXSA-N 469.498 0.100 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1ccco1 1793933469 VQOQDTONOIGVBJ-DFGXFYAUSA-N 459.499 0.969 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2)c1ccc(O)cc1 1801055626 DOGQKLOBASDOKV-PRHHBONVSA-N 490.520 0.524 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CCC(N)=O)C3)cc1C#N 1801849094 YGINZELWTUSIFG-NYUBLWNDSA-N 457.531 0.141 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1810567829 VXFWKFPJGPFLJK-SBHAEUEKSA-N 460.531 0.748 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812872403 CPVIJQACQUMLAQ-DJPFJPOOSA-N 484.509 0.754 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccc(O)nn2)[nH]n1 1814439626 SPFHRXIYYLSHSJ-XHPSBEMXSA-N 455.475 0.835 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)c1 1815064536 RVULCQMUIQIMBM-ZFWWWQNUSA-N 456.528 0.842 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCN2C(=O)OCc1ccccc1 1828915869 CJRBYCOFWYQHBI-UTAZYMRLSA-N 496.564 0.755 30 20 JCED O=C1CN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=N/O[C@@H]3CCCCO3)CC2)C(=O)N1 1828971352 XZNKAXBYMBCDGE-JPFMVSBKSA-N 463.535 0.687 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCN2C(=O)OCc1ccccc1 1829013995 JZFAKTPBCZZMTA-OAQYLSRUSA-N 452.475 0.039 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)CCN2C(=O)OCc1ccccc1 1829100830 NOJVHMGYSSDBGH-YDIMBITNSA-N 469.494 0.297 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1)N1CCN(C)CC1 1829212439 LDFUPEVJMVECJM-QFQXNSOFSA-N 496.612 0.988 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccoc4c3)C2)C1 1829766290 QAJDNNZSDJMLQW-XXGSHBOYSA-N 454.483 0.756 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830059716 DOBLTSIXVGMWDE-KSFYIVLOSA-N 468.551 0.268 30 20 JCED O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)CN1 1833123560 VPWBPCQXNFPBEU-COATZDGTSA-N 463.579 0.613 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833614904 JCWBPVLUNOCCLE-REWPJTCUSA-N 478.615 0.943 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C(C)=O)[nH]n2)CCO3)c1 1833824576 QAINACMTKXVSHM-QHCPKHFHSA-N 467.482 0.876 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2C)CCO3)c1 1833874290 BEESWOGREDFLLN-XMMPIXPASA-N 450.495 0.949 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)C(=O)NCC(C)C)CC2)CC1 1835130356 BTVWTUCVEDXQPH-UHFFFAOYSA-N 450.580 0.840 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1835240238 WSINOYVPAXCSKI-MBSDFSHPSA-N 485.578 0.575 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680813 LTRJCULNCBALOU-PGRDOPGGSA-N 451.568 0.029 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1835768854 LPPMPRVGDJROKF-XJNGEBIUSA-N 463.579 0.613 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCO4)CCO3)cc1 1836971783 ZNCREQZSNQCLBV-HSZRJFAPSA-N 451.483 0.921 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1837308873 CQIWLANTCAKJLM-JPYJTQIMSA-N 460.531 0.938 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1 1837446846 IHCBOHKLUAIUPJ-IPACTHBOSA-N 486.569 0.944 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492338 FMWCYLNSBQUPPA-XMMPIXPASA-N 462.543 0.651 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1837566737 JDCWETIPOUSAKU-YHOVDHNQSA-N 472.542 0.556 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccccc1=O 1837686840 LWOSZIWCTIPWSV-CJFMBICVSA-N 471.554 0.564 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3C(F)(F)F)CCO2)C1 1837957961 SJJGKODWKOVGCO-LIRRHRJNSA-N 458.437 0.547 30 20 JCED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1OC 1838840817 JMRYVERWCWRWJY-RWOVVYLESA-N 475.546 0.641 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4nnc(C)s4)C3)C2)c(C#N)c1 1839132158 WOURCDBCPFHNAP-QHCPKHFHSA-N 485.566 0.968 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnn4)C3)C2)c(C#N)c1 1839132371 DKYHMTVATGBROW-HSZRJFAPSA-N 451.483 0.670 30 20 JCED CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)COC1 1839778947 WIILTLGVKBFYIH-HSZRJFAPSA-N 453.499 0.931 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c(O)n1 1839781223 JHKNNGWFBAIDBN-CVDCTZTESA-N 493.582 0.553 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cc5ccc(OC)cc5C#N)C4)C3)(C1)C2 1840006210 UMSBGNPBGMXGCR-NRUKRLKBSA-N 497.548 0.909 30 20 JCED CCOc1ccc(Cl)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043551 GBHQLWRQSOFQMP-OAQYLSRUSA-N 450.875 0.897 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c1 1840381859 XAIGQZOLVZECIC-FQEVSTJZSA-N 460.491 0.678 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1840820952 SBGUPTPLVYJWCW-OAQYLSRUSA-N 472.527 0.304 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840883129 TVUZGBBWXNGHTC-QMHKHESXSA-N 494.545 0.203 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CS(C)(=O)=O)C2 1845130579 LBMCPLQYIIEJPH-INIZCTEOSA-N 455.577 0.931 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)Cn3ccncc3=O)C2)CC1 1845767795 DRSAYOGLDCSNMF-UHFFFAOYSA-N 484.557 0.988 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(=O)CC)C2 1846365900 CEMSAFHATCSOLT-HNNXBMFYSA-N 466.535 0.974 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1 506381856 OHYQIOLKCHBXRK-NRFANRHFSA-N 482.628 0.756 30 20 JCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 515947727 YYNHGBMXPWOHMI-UHFFFAOYSA-N 463.494 0.744 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 518871831 PRVASSFLXPPFNC-SFHVURJKSA-N 466.494 0.982 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccc(OC)c(F)c3)c2=O)cn1 523577740 DTLKRSMYLZYIJL-UHFFFAOYSA-N 485.541 0.919 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 592993704 DDDYQLXZVLDWTN-UHFFFAOYSA-N 468.514 0.620 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(OC)nc1 608883984 FOYHZQGTAJGATI-OAHLLOKOSA-N 492.557 0.892 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(N)=O 608911049 GQGBKVXWQBFITF-UHFFFAOYSA-N 466.922 0.233 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CC(=O)N(C)C 609220410 XZTQFMOGYCGVJK-UHFFFAOYSA-N 474.558 0.491 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3cnn(C(C)(C)C)c3)c2=O)cn1 726180282 FBHOTFBJOUYHNI-OAHLLOKOSA-N 483.598 0.721 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 728536100 JLVKYTUBKBQHIE-ZDLGFXPLSA-N 458.584 0.593 30 20 JCED C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 731409409 MHBWZALWGDXMTC-UHFFFAOYSA-N 468.491 0.470 30 20 JCED CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 744920404 OWSVAIVJDBTPGV-IQVWLQHGSA-N 451.549 0.857 30 20 JCED CCc1ccccc1-n1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnn(C)c2)c1=O 839355332 OOOCAFIZOSLCSS-HNNXBMFYSA-N 451.552 0.849 30 20 JCED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 913243241 QUPCHWQYXHILSU-YJBOKZPZSA-N 450.517 0.128 30 20 JCED Cc1nc(C)c(C#N)c(SCC(=O)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 914530441 AUJLFPUYPKPBPK-UHFFFAOYSA-N 478.556 0.373 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3F)CC2)sc(=Cc2ccnn2C)c1=O 914564865 IKFVUUROKZRGPF-UHFFFAOYSA-N 496.568 0.281 30 20 JCED CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918442549 PCWOQVLDOKUARD-PTGBLXJZSA-N 499.615 0.368 30 20 JCED N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(C(F)(F)F)c1 918539164 YVHFKXIDPYOEMG-NEPJUHHUSA-N 479.458 0.418 30 20 JCED C#CCN(CC)C(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 919876086 HRDZIAZYJMIIJY-UHFFFAOYSA-N 469.585 0.870 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)ccc1F 920463198 AUEIWIXPYYCAGE-UHFFFAOYSA-N 452.552 0.916 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCOC1)C1CCN(S(C)(=O)=O)CC1 1314683264 HXFOJDRMFNMNNG-OAQYLSRUSA-N 460.560 0.828 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1503773708 VKDYXEQFXWKBFU-WMZOPIPTSA-N 458.544 0.593 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1696476606 KNIMXSFDVAKVFZ-UHFFFAOYSA-N 466.589 0.769 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1712104272 LFFJZQHFQNUANV-UHFFFAOYSA-N 458.544 0.689 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1729221758 LZDXFLAWQPIQHE-CQSZACIVSA-N 454.578 0.625 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1769896804 RERIKOGRRCDQKM-LJQANCHMSA-N 473.603 0.867 30 20 JCED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1777735762 POWRRKQZSDYQPB-NTKDMRAZSA-N 481.557 0.997 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)CC2)CC1 1778320513 NRWUAXJGHDUMBW-RUZDIDTESA-N 471.602 0.843 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778755061 UALYPDNIWSRGIL-AUSIDOKSSA-N 497.662 0.454 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104576 MFGZWXOHJGTSHT-YCZYPVKCSA-N 498.577 0.885 30 20 JCED O=C(O)CSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779427932 DHWPKMQMKKPGSG-OWDNUYCASA-N 457.549 0.847 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783458257 LAOGHMYBGMGKBS-FGZHOGPDSA-N 467.494 0.644 30 20 JCED CC(C)(C)OC(=O)NCc1ccnc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783557199 IIUYOTMWUNTLDQ-QHCPKHFHSA-N 472.498 0.638 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)c3ccc(OC)cc3)[C@H]2C1 1783765962 OLGOBJGIWVBUIO-FHBGBAEYSA-N 457.527 0.567 30 20 JCED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C[C@@H]32)CCC1=O 1784983495 QOCHMQNYWAZXIJ-QOKNQOGYSA-N 463.498 0.636 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2 1785573315 ZJZBBFJNOUHLDF-SAHWJRBASA-N 464.563 0.648 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COCCO)C[C@@H]32)c(C(F)(F)F)n1 1787198408 YKLHWJPFJNYBKX-RCBQFDQVSA-N 456.421 0.574 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21 1789890403 SMJQYXRIVJTCJJ-ZOBUZTSGSA-N 450.467 0.885 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790652577 SEVYUNRWEDUFIR-ZOBUZTSGSA-N 450.517 0.655 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCSC(=N)N)C[C@@H]21 1792258152 ULVUXBYTENGYAM-NXOAAHMSSA-N 481.619 0.899 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1cccc(F)c1)NC(C)=O)C2 1793349647 FSUYAIZTMZGRCX-MHZVGDEQSA-N 459.518 0.501 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1793599969 NGNMPNWODXOVJN-ZMMAXQRCSA-N 462.551 0.727 30 20 JCED O=C(C[C@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1793944098 QHMRJFXLPJLNAY-JTOYRKQZSA-N 486.528 0.888 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794504478 PBCAHVVARJFGCV-NHKMSHSESA-N 485.585 0.594 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1OC 1794584070 YUMKDEPXBOWLQJ-CYGHRXIMSA-N 475.546 0.549 30 20 JCED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/C(=O)c2cccs2)C3)no1 1797828480 WPXIYUIPTZPKCH-RXQJWBBVSA-N 472.523 0.803 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884726 QLTFWHJNXBXISW-HXFPYSNGSA-N 484.513 0.481 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1cnc2c(c1)CCNCC2 1800242672 BIDDVLDVSLXMLI-DDNFXKSTSA-N 451.527 0.685 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800298151 SKBKVCZEQSBDJG-QTQYAOCESA-N 455.555 0.250 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13COC[C@@H]1CN(C(=O)OC(C)(C)C)C3)C2 1800981959 TZWKLMLGWGYUKV-WPAAJDMKSA-N 469.604 0.778 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(C)=O 1801661911 AANFNBBIGKDRNC-MHORFTMASA-N 495.577 0.566 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)c1ccccn1)C2 1802127789 RVPIQSLYBUNGEG-QQXMDYFESA-N 471.558 0.588 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804192961 SJPGAYLRTFZUSE-QFUCXCTJSA-N 464.588 0.409 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807120138 JPWAYKCNHMNNRG-ZJOUEHCJSA-N 497.600 0.844 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810360377 NTRUIZXFNAYQHE-UBGGZPPPSA-N 483.525 0.932 30 20 JCED N#Cc1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)c1 1816673203 BZCSDDQRFZSUBA-LBPRGKRZSA-N 461.467 0.680 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1819427108 ZHBOLZZELROIKK-WIYYLYMNSA-N 459.547 0.751 30 20 JCED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1820966429 HVMNGWYXZDKQLT-RDJZCZTQSA-N 468.580 0.933 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1824491402 QUYQFLJFVLNCDS-UYAOXDASSA-N 453.605 0.375 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncccn1)CCN2C(=O)OCc1ccccc1 1828725132 USZPRXLDUYIGOI-DEOSSOPVSA-N 477.477 0.630 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1829260235 JSZXYYFXTYOVFU-VWLOTQADSA-N 478.505 0.387 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4cncn4)C3)C2)cc1 1829635570 LDGSLUSRTXKITB-HSZRJFAPSA-N 452.515 0.629 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1829764801 VYUAAOQINGIGMR-XSAUMEDDSA-N 462.478 0.158 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)c(O)c3)CCO2)C1 1830248551 RIKRBJRYTCZLGY-HYBUGGRVSA-N 462.543 0.973 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1831023245 KFNFGZHATSUMNI-UZUQRXQVSA-N 456.499 0.836 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1831396681 PHPOLBSTFLJLIB-HDGYKEOTSA-N 453.495 0.517 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1831407166 PUOLBYNERWNLGM-HSZRJFAPSA-N 495.598 0.679 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833207975 IOHGXBLUFLOLAC-BROWTRMISA-N 467.910 0.729 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)c1 1833498371 ZXTGCAPVWYJPFY-QHCPKHFHSA-N 465.466 0.739 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CN(C(=O)OC(C)(C)C)C3)CCO2 1833749845 NGBMPSDQPQVSOM-QFIPXVFZSA-N 459.503 0.364 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)[C@H](O)C1 1835352362 VQNHETPQFONXHP-IXFSTUDKSA-N 480.562 0.364 30 20 JCED CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(=O)OC(C)(C)C 1835675239 ZGYZICHTHQTGEF-HSZRJFAPSA-N 481.594 0.592 30 20 JCED O=C(O)CSCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835768864 MBCMGFIGUBBFQN-UKKLRFBMSA-N 470.592 0.905 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(C#N)c3)CC2)CC1 1836259050 FTDKZRDAEDNAAH-NRFANRHFSA-N 457.531 0.808 30 20 JCED N#CCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)cc1 1837117012 VALLEVGROLVLDT-HXUWFJFHSA-N 467.526 0.963 30 20 JCED CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837242868 MHQOMWSJHBQYGK-APYJYERMSA-N 465.547 0.855 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1)c1ccccc1 1837274870 VBTDLWLOYGIUQS-CPJSRVTESA-N 480.569 0.973 30 20 JCED O=C1NCc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)ccc21 1837529429 UNVIXUHTYZVBFV-APWPHXJISA-N 486.525 0.529 30 20 JCED O=C1Cc2cccc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)c2N1 1837530192 JTZBLFOEAPWYQB-RVQXCSPYSA-N 486.525 0.780 30 20 JCED COc1nc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1838175354 QRGRDWIADAFCHI-NHMXVPMISA-N 459.547 0.940 30 20 JCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1C 1838275594 FHEPAMIGJDEICQ-DEOSSOPVSA-N 458.559 0.751 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCO2)C1 1838525756 HAIRWYKGWBQWMG-XCLFUZPHSA-N 451.501 0.918 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5cccnc5n4)C3)C2)c1 1838582587 URBUKQXZIMOSRN-XMMPIXPASA-N 476.493 0.993 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1838584139 RTUIGSREPOZBGE-HXUWFJFHSA-N 484.431 0.315 30 20 JCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838737909 FJEJSJLXQIMMHH-XMMPIXPASA-N 465.510 0.986 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1F 1838742392 FCFVYKDADVJBHS-QFIPXVFZSA-N 490.513 0.813 30 20 JCED Cc1c(Br)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)nn1C 1838769025 QYXOHKFUKGFBEL-IBGZPJMESA-N 466.336 0.865 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1cccc(Br)c1)CCO2 1839054510 CNIWYTSXNHCDKP-HKUYNNGSSA-N 452.305 0.853 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)N1CCN(C)CC1 1839104914 YTQMXGNOYACQOO-KOSHJBKYSA-N 490.004 0.918 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncccn4)C3)C2)c(C#N)c1 1839131672 RFPPPHIWHVEJJW-QHCPKHFHSA-N 451.483 0.670 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnn4)C3)C2)ccc1F 1839188014 GUSGAQIFEHXQGE-QHCPKHFHSA-N 469.473 0.565 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839373196 XMBDZBVJSVKSLT-LHSJRXKWSA-N 451.476 0.674 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839422545 AMKOXKJTBKGNQK-OAQYLSRUSA-N 463.922 0.553 30 20 JCED Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)c1 1839487955 NSPYIIJSHZFGST-QHCPKHFHSA-N 463.498 0.710 30 20 JCED CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)C1 1839488714 FLNNJMUOVUWUPZ-HOYKHHGWSA-N 466.542 0.846 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839577428 QRHXESMRXJHWOP-IVZQSRNASA-N 476.555 0.787 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839705535 JSZMPDVLXXDFLF-IEGUWTFLSA-N 492.577 0.765 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840360006 VOFZISVJXDBAJS-MBSDFSHPSA-N 490.561 0.041 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CN(C)C1)CCO2)c1ccc(O)cc1 1840572717 NQQQEPOMAZKJGT-CPJSRVTESA-N 455.555 0.907 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CC5(O)CCC5)CCO4)C3)c2c1 1840595459 GUYVEOALDZHUST-QHCPKHFHSA-N 453.499 0.810 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnnn4C)C3)C2)cc1C#N 1840762791 PJJDGHAOHAXUMX-HSZRJFAPSA-N 468.514 0.858 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCO2 1840771348 QZDZSSCGGUTQMQ-QHCPKHFHSA-N 452.467 0.490 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840801866 PCKFLNWMSMEPFP-HSZRJFAPSA-N 481.594 0.639 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813769 UUMPKBDLXUBAEM-IBGZPJMESA-N 466.336 0.946 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1840820552 WBENUBWSHDFRTF-NVQXNPDNSA-N 479.533 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2 1841054473 FKJIVTGBZGVCHC-HLRDLLSLSA-N 450.536 0.588 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](COC)NC(C)=O)C1 1844388013 OPUSXIPUBFMIEF-SAHWJRBASA-N 464.563 0.810 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC4(CCCN4C(=O)[C@@H](C)S)C3)c2n1 1846370916 QWMYVOFNIQGFFV-GFCCVEGCSA-N 461.548 0.648 30 20 JCED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2)c1ccc(O)cc1 1846413372 STZHYQFLFMNDKP-FQEVSTJZSA-N 473.595 0.823 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1846980023 STYCTXVCFVDNRP-UHFFFAOYSA-N 455.496 0.606 30 20 JCED CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 10453734 DBQOJMVCAUNENW-UHFFFAOYSA-N 482.609 0.858 30 20 JCED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 498187121 YXDYYUWJPXONTC-IRXDYDNUSA-N 466.608 0.844 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 506212855 RYLASAGDLUVRJE-UHFFFAOYSA-N 473.559 0.359 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 522538367 DRSSSHZTFIHUJC-UHFFFAOYSA-N 460.515 0.788 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccccc2)c1=O 589161276 SRMXBNKTQSXISV-UHFFFAOYSA-N 453.545 0.845 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccs2)c1=O 603795062 KHEFZKMJXDAPGM-UHFFFAOYSA-N 476.624 0.349 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)cc1 603913961 WTWKXLCHPFEGTA-UHFFFAOYSA-N 464.525 0.118 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)s1 608912425 MUKLEYKPNDBUQT-UHFFFAOYSA-N 480.637 0.391 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1=O 726592018 CGYVDOBAHIVMHV-UHFFFAOYSA-N 451.487 0.826 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOC2=O)cc1 728407412 WAVUTWGKADIDLB-JWGURIENSA-N 451.505 0.396 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 811679379 BUYUOEITEXEOKW-VLIAUNLRSA-N 452.533 0.653 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc(C)cc2)CC1 839237206 FKQUTNUPRIZWPU-UHFFFAOYSA-N 462.579 0.608 30 20 JCED CCc1cccc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3cnn(C)c3)c2=O)c1 839361603 BICINFYYAAAVAO-OAHLLOKOSA-N 451.552 0.849 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 893329419 TUACQCIPDVHXTJ-GFCCVEGCSA-N 459.908 0.918 30 20 JCED CON(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915380452 FJPUFUQPHNYOJH-UHFFFAOYSA-N 477.499 0.542 30 20 JCED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1F 1185422543 MWCNHCQCQLXZAE-UHFFFAOYSA-N 453.521 0.523 30 20 JCED CC(C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1287148389 GJGCGOKYBBAJOG-BBTUJRGHSA-N 481.623 0.195 30 20 JCED COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301442118 QORMESUTYURKTB-HSZRJFAPSA-N 455.563 0.814 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NCc1ccccc1 1359474395 QXVFWUVDCPEGSB-IEBWSBKVSA-N 489.602 0.913 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)CCOC1 1502719526 ZOHREMATANQLFU-KXBFYZLASA-N 471.484 0.785 30 20 JCED COCCN1C[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1519193905 VSWLJUMRIOAJOL-BTYIYWSLSA-N 456.482 0.862 30 20 JCED CS(=O)(=O)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCC1 1564716122 SFNGTMTYHCOUFK-UHFFFAOYSA-N 454.574 0.932 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740739564 VOEXKLORSWQFHT-AWEZNQCLSA-N 492.444 0.444 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740802091 INSSONRULVFTIF-CQSZACIVSA-N 460.988 0.716 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C 1741133807 UOUQKKRGEYJRBV-WBHWENKQSA-N 460.626 0.754 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779062080 CIFPBXIUODCGEH-NSYGIPOTSA-N 484.553 0.521 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)no1 1779122827 HCYWESFOUCDSEH-QHCPKHFHSA-N 458.515 0.241 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1779319959 SWYHQKPUHXXOJJ-YKSBVNFPSA-N 472.542 0.940 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780180777 PCNULJBVNZFHTF-FCORRRHLSA-N 465.514 0.622 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CN2CCN(C)CC2)CCO3)c(C#N)c1 1781172200 APMZTJOFZDIEGS-DEOSSOPVSA-N 455.559 0.187 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CN(Cc3ccccc3)C(=O)C(F)(F)F)C2)C1 1781273248 LXXILRRABXPUEO-OAQYLSRUSA-N 481.427 0.495 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1781399459 CVCYXKMQMZBEAA-KOSHJBKYSA-N 499.572 0.810 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(=O)n5[nH]cnc5n4)CCO3)C2)c1 1781961732 OQBHHTWBIVEXEU-NRFANRHFSA-N 451.418 0.186 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1782010365 QKSJHCOFNQZEFF-WZONZLPQSA-N 452.467 0.381 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1783475568 VJUCMNYPUQARAA-GEZZUNRVSA-N 491.585 0.737 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1783478702 PFBUHVMKYXDMPP-QQCJEOGWSA-N 471.620 0.902 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1785598741 XKXJGVHFRQJIBN-LGFFLQIISA-N 475.550 0.533 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)c(C(F)(F)F)n1 1786800569 JKNJQLXQYIGENG-DDWPSWQVSA-N 482.463 0.158 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4nccn4)C[C@@H]32)c(C(F)(F)F)n1 1787198299 UPRAHTKLSXOWLL-RCBQFDQVSA-N 463.420 0.857 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788680181 VOANUTQCUIQPAO-XGZUDPECSA-N 467.526 0.892 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)N4CCN(C)CC4)C[C@@H]32)c1 1789259198 RVCBVXDSLBVLHQ-FUAMJQMHSA-N 469.586 0.796 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)C[C@@H]32)c1 1791986023 NVSGHQWSJIGNKM-RUZYHRDJSA-N 453.499 0.505 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1792884542 QOUSMMHESBMLMA-IIZPIQPGSA-N 486.569 0.966 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1793823605 HFJOIBRDKDDIHP-UTAOTPEMSA-N 469.604 0.867 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794403617 UIBBZVDZRAGNQR-UPHUGPLXSA-N 465.572 0.812 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(I)c(OC)c1 1794488119 WHBRMCOSODSUSU-JJLQDPRZSA-N 455.252 0.531 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O)NC(=O)OC(C)(C)C 1796325486 XLMNRYVQQWNYCK-OYNZLANYSA-N 481.594 0.882 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)NCC(C)C 1796468544 XRTHSSVCIHKHCW-MHORFTMASA-N 464.563 0.265 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1)c1ccc(O)cc1 1797238167 HAWXQLHOIUYUGR-ZUVQJFRASA-N 468.598 0.726 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccnc2C(N)=O)C3)c(C#N)c1 1799238383 HRJGFANAIGDFHM-UPHUGPLXSA-N 463.494 0.507 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1799335680 MZEOEWFSDFLUEF-QNDFHXLGSA-N 497.556 0.695 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccnc3C(N)=O)C4)c2c1 1799883673 ZOKHJQNDDKYBIJ-ZSBFGKGUSA-N 459.466 0.445 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1800535194 MEFCSKCLXBWBPB-IQZDNPOKSA-N 466.579 0.960 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1800806550 FRSSHJJHOGDHLF-UCIFAOBLSA-N 471.620 0.901 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801991997 BSOJANBXMKYJQR-DINDUCCOSA-N 488.541 0.086 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1803506364 JWGOGNOEKLPOQT-RJOZJKIQSA-N 495.602 0.944 30 20 JCED C[C@H](C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1)n1cnnn1 1810364244 NWJAMGKRBNJFFO-VCXDEPHASA-N 456.507 0.864 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812391111 NZKDQYSIKVXCPA-NQIIRXRSSA-N 470.526 0.329 30 20 JCED C=CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1813060922 LOULTPBNXLXNBP-LXGFNABISA-N 471.583 0.844 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1814034992 BECMNVHYYHDHPM-WVUNDPPESA-N 480.525 0.217 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814230223 GLMAGAPQPIOHAK-ZIFCJYIRSA-N 472.546 0.672 30 20 JCED Cn1c(=O)n(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)c2ccccc21 1818852681 LIERPEFEWDIZDZ-HNNXBMFYSA-N 450.455 0.843 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1819710824 UWWCDVQCCFWGSR-ZANVPECISA-N 458.504 0.068 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819887764 WRMPVCCFDTXENL-FOIQADDNSA-N 462.572 0.404 30 20 JCED C#CC(=O)N[C@H]1CCc2nc(NC(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)sc2C1 1822467697 RUJMRKRUJHSXEX-NSHDSACASA-N 457.537 0.543 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCN2C(=O)OCc1ccccc1 1828506272 ZPYFTDIHXPQCHP-CYFREDJKSA-N 452.511 0.598 30 20 JCED CNC(=S)NCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829132319 ATHGDBFTGNTVHV-HSZRJFAPSA-N 486.598 0.836 30 20 JCED O=C(C#CC1CC1)N1CC[C@]2(C1)CN(C(=O)COCCO)CCN2C(=O)OCc1ccccc1 1829222924 ANLSJDNLBDRUCD-VWLOTQADSA-N 469.538 0.861 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310352 VKGUNHBYGHQYBF-NBGIEHNGSA-N 466.538 0.988 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)(F)F)c[nH]3)C2)C1 1829765973 CPIYJQSALXFSSF-HZQHCPKGSA-N 470.448 0.962 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1830426119 SNUNBFFIOHOVGQ-HSZRJFAPSA-N 456.499 0.137 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1830426123 SNUNBFFIOHOVGQ-QHCPKHFHSA-N 456.499 0.137 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)c(O)n1 1833702050 JUDJFTWMWFUJSV-SMOZNVCYSA-N 457.527 0.868 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CCOCC2)CCO3)c(C#N)c1 1835191875 GCMGUNCKZDYLRQ-DEOSSOPVSA-N 457.527 0.992 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1835240236 WSINOYVPAXCSKI-JPYJTQIMSA-N 485.578 0.575 30 20 JCED CS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1835255011 PVGACKRILWDQMK-GOSISDBHSA-N 490.460 0.087 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835361971 AQZLOGMXODKSSQ-JOCHJYFZSA-N 463.556 0.783 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835392921 IOMWZEBFMJYAFR-CYFREDJKSA-N 496.605 0.244 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835640857 WXYVMJCXAHBBPV-JPYJTQIMSA-N 464.563 0.098 30 20 JCED O=C1COc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cc2N1 1837444326 YGIFTZNASSBYKI-ZHIQAQTNSA-N 485.541 0.559 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837445099 COYHBXUUQGWBLQ-TXRNYMQSSA-N 473.456 0.365 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1837530155 JMBLACNRVCLOBQ-LETHCJOQSA-N 499.524 0.934 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838418885 WONOTTWUFFWKKM-AOMKIAJQSA-N 476.555 0.399 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)c(OC)c1)CCO2 1838930153 NXOAANGEOAZVHM-WEHRJKGCSA-N 473.526 0.632 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1839174205 MIXALFBCTIBFAR-OAQYLSRUSA-N 450.492 0.008 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839205637 YWYJBBXXOXDOGB-AOMKIAJQSA-N 466.535 0.022 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCn5ccnn5)C4)C3)c2c1 1839489427 VNOVXJCGYDWBTE-JOCHJYFZSA-N 464.486 0.186 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3I)C2)C1 1839806693 WVABQLLVNXQUDL-IBGZPJMESA-N 468.291 0.923 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C2)C1 1839808148 TYQNQUSOCMIAFO-HRAATJIYSA-N 455.577 0.722 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]4OCC[C@H]4N(C(=O)OC(C)(C)C)C3)C2)C1 1839810568 DIVMEKSEAKRNTR-IPRDPGLQSA-N 477.558 0.491 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1)c1ccc(O)cc1 1840222041 AKPJYRYZVQDPOI-YKSBVNFPSA-N 457.527 0.482 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccn1)CCO2 1840422233 RVRQHCBXTRLELL-PWPXAWQVSA-N 458.515 0.164 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)c1 1840715321 XBUDUUOSFINERW-OUOWLKGYSA-N 472.542 0.034 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2 1840715420 ASVLFJDSSWGHOE-GAJHUEQPSA-N 473.599 0.868 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3conc3C)C2)C1 1840906498 DBWQILWMTJZXTC-FDDCHVKYSA-N 476.530 0.970 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)(n2ccnc2)C1 1845868424 DTTOHIFLKQEEQG-DEOSSOPVSA-N 485.541 0.901 30 20 JCED CN1CCN(S(=O)(=O)c2ccc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)CC1 15118406 QIDLIOOCWFPYJU-UHFFFAOYSA-N 490.611 0.400 30 20 JCED Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 26180389 WIVUPMMZVMAQHL-UHFFFAOYSA-N 450.542 0.895 30 20 JCED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 109891703 KSROWZHBOPNDKK-DOTOQJQBSA-N 475.552 0.564 30 20 JCED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)cnc2n(C)c1=O 501297223 DCLQYNZGGYHMSJ-UHFFFAOYSA-N 498.503 0.339 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1C 524574253 HKYODKFCQFOLPT-UHFFFAOYSA-N 488.569 0.977 30 20 JCED CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCSCc3ccccc3C#N)CC2)CC1 603748059 HBXFPSFCHVOAAR-UHFFFAOYSA-N 466.633 0.611 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(SC(F)(F)F)cc2)c(=O)n1CC(N)=O 727160349 BRFKMTDKMOEKDM-UHFFFAOYSA-N 468.482 0.789 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 917033746 CAGYQNQNHXZQFB-HXUWFJFHSA-N 484.534 0.497 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnc(C)s2)c1=O 917760628 BSQSADHLLGSBMW-UHFFFAOYSA-N 475.640 0.769 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 918617637 YKUSZMKKBPDMHN-YIAMGWMBSA-N 482.584 0.474 30 20 JCED Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)CC2=O)cn1 1298833780 IJPUQHZSAJGGBG-UHFFFAOYSA-N 469.456 0.785 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 1302468932 MOZFNEZJYFXUFY-WMZOPIPTSA-N 457.560 0.800 30 20 JCED COCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1316071577 LYCOTCAUUZEHIY-YLJYHZDGSA-N 469.612 0.319 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)c1=O 1317768321 HAPSIDLBSLDIKF-CXUHLZMHSA-N 471.470 0.893 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1503832103 UFSDMKDFCMLWIH-UHFFFAOYSA-N 458.548 0.360 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(OCC(N)=O)c2)CCOC1 1516226181 MEDOFYNENXZNDM-AVRDEDQJSA-N 456.503 0.571 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC2CCCCC2)CCO1 1521130510 XNWOKFRNLFUABL-NVXWUHKLSA-N 450.565 0.748 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 1541005196 MQRGVHOCBUFZJB-FQEVSTJZSA-N 450.547 0.683 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1547433181 WJODLLJFYWJNFK-MISYRCLQSA-N 494.666 0.518 30 20 JCED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1611634288 XSSDCSDSRCZDLU-HNNXBMFYSA-N 466.589 0.722 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1652850685 JIYJAKVXSJNNTG-YQVWRLOYSA-N 450.561 0.418 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 1664961723 OTSNQXOVYPELGP-QGZVFWFLSA-N 454.574 0.377 30 20 JCED COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1=O 1670969246 JHHKYJIDYIBWAY-OAHLLOKOSA-N 459.366 0.778 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 1696877297 QCEMGZSOATVZJO-QFIPXVFZSA-N 473.603 0.649 30 20 JCED CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1728629957 RGTUAUOFOFSDLJ-CTNGQTDRSA-N 471.654 0.866 30 20 JCED CN1C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NCC(F)F)CCN2C1=O 1729595982 VFJFPJYFNKGHKG-HNNXBMFYSA-N 474.472 0.666 30 20 JCED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1731187437 PUNONSHPSSRIBB-HUUCEWRRSA-N 464.573 0.966 30 20 JCED C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1752420914 LBQITPFSJKHYHN-IBGZPJMESA-N 483.573 0.744 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1761271942 STLHBFHBSUJPLQ-QAPCUYQASA-N 458.610 0.638 30 20 JCED CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1768940196 UUOKASWQHNAMHR-OAQYLSRUSA-N 460.560 0.135 30 20 JCED CNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)c1 1769183676 ZTPBQYXEHNOSRA-DNVCBOLYSA-N 486.602 0.473 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1=O 1769923668 SRLGQCZYGSAPSO-QHCPKHFHSA-N 469.546 0.090 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1778088713 XSBRPMHWHPEVHN-IWLLQYOYSA-N 457.593 0.753 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778571364 ARYLVVXKPIFULU-HSZRJFAPSA-N 455.515 0.743 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2)C1 1778975303 GEFDVZQMKNGXIS-OBWXTZQISA-N 497.589 0.846 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)c(C(F)(F)F)n1 1779089332 IVNGELRTCLOQGY-AZUAARDMSA-N 483.447 0.066 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1)[C@H]1SC(=N)NC1=O 1779422341 DCJNOYVBLUIBAM-UOQJHVATSA-N 495.602 0.832 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(OC4CCOCC4)n3)C2)C1 1779901386 PPSGDCGOMYSPER-CVUHLLMESA-N 484.553 0.941 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1781161560 NIRZONVZRHESDE-SBUREZEXSA-N 474.562 0.955 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1781696498 CNCPHXJOVYANCF-DRSNIGMVSA-N 485.603 0.462 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NCc3ccc(OC)cc3)C2)C1 1782781053 QLGZJKWOVGSJGE-KBMIEXCESA-N 471.554 0.960 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1783546353 XJGGHUPXBAMXMU-RAKGEHAVSA-N 491.585 0.879 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)CCO2 1783556986 GLGGOZYBGQLEOE-XMMPIXPASA-N 465.462 0.485 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783614571 ARDHRNICZMEXEQ-FXKZBUDASA-N 482.578 0.988 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1783834720 PZAYMTVZPPTSIH-QRWLVFNGSA-N 472.564 0.058 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)CCO2 1783917930 VWXFJOPFLOLIAQ-WCAVRKLYSA-N 464.563 0.764 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)cc1C#N 1785196137 ASSUKCPPDZMZCU-DEOSSOPVSA-N 478.509 0.992 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1785609115 OVJXRDPPXNHVSU-UQBPGWFLSA-N 499.568 0.965 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)=O)[C@H]2C1 1786349285 HTFPGRBVZNSKDK-XSLAGTTESA-N 496.561 0.361 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1789904502 UAVLKZFGOQIVIY-OVWQWFNUSA-N 477.562 0.702 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21)c1ccc(O)cc1 1791335897 BMKQXJTZKWHGQO-ZFMNYDKASA-N 493.497 0.594 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792147174 JALZUSRRMNLFIU-VKRLORBYSA-N 488.541 0.760 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1792267780 GMTCLQBFDCPDFE-SOWBTEIWSA-N 474.562 0.727 30 20 JCED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1793584541 LKPXOSDZCFNUGU-MCEUPANISA-N 464.588 0.396 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1793668972 SVLHRTFINVUEGS-JONQDZQNSA-N 457.593 0.656 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2 1793830388 ZUPMWGHWYWVJOE-YIDVYQOGSA-N 463.535 0.692 30 20 JCED CCc1nn(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)c1I 1795083194 LWOLATPBSROIPK-QHBPRCKVSA-N 471.299 0.704 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1795584412 BHIHIZRYNBVRGS-RCLSDMTESA-N 492.617 0.517 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O)c1ccc(O)cc1 1795644670 NZKDTWRCYSUOAV-SUYVIKNLSA-N 457.527 0.542 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Br)c(CC)nn1C 1795959607 TWNHOIGCMBQFKA-VWPFQQQWSA-N 467.364 0.987 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)cc2C1 1797960309 DTTIACUSMSRMHA-MUJYYYPQSA-N 471.514 0.974 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1799320769 QCVAQCOTJNLIQY-BPKGMFCQSA-N 466.535 0.544 30 20 JCED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)nc4cccnn24)C3)cc1 1799643675 UYWZPMMPBUDFSO-OPMZPASUSA-N 458.478 0.673 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccc(O)nn2)c(O)n1 1800204929 QBPAXHSIQRMFMR-USGNIVHTSA-N 469.498 0.684 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)NC(C)=O)C3)N(C(=O)OC(C)(C)C)C1 1801103646 URKDYWQARLNSRG-GYFISPQKSA-N 464.563 0.666 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)CO2)C1 1801993653 XXUUDSKLSRHJSA-WCXIOVBPSA-N 461.515 0.739 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C2 1802125475 VUJYCXNFTGFKLK-LVEJAMMSSA-N 464.563 0.407 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1804090217 NUCXFDKPTTWCNV-JDJDKPJZSA-N 455.519 0.111 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1808405845 OTOULFPHPACEIN-TZIWHRDSSA-N 490.630 0.795 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1814062409 GPYSXGKNTCDIRD-XMSQKQJNSA-N 487.453 0.763 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822204803 QWDKVJYNKKZFGQ-UONOGXRCSA-N 476.490 0.259 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1828583855 BEHAILZHYIIVAR-VGSWGCGISA-N 465.572 0.704 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829232634 VJWRGAQMVQFQSZ-WXVUKLJWSA-N 488.589 0.525 30 20 JCED CCOCCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829333745 DPIRUHZPPFLWEB-DEOSSOPVSA-N 471.510 0.953 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)nc3F)CCO2)C1 1829528357 LYYSRKFXWIHFDQ-NRFANRHFSA-N 451.474 0.712 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829631045 FQPJAMOBDWGDGV-HOYKHHGWSA-N 454.527 0.638 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)C2)C1 1829667774 BQGIOEQHAYUICR-NRFANRHFSA-N 455.577 0.081 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)c(NC(C)=O)c3)C2)C1 1829770980 AHZUDTOZFYZWCO-CNXHMKESSA-N 484.553 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(OC)cc3C)C2)C1 1829771251 NIXJJGJOBDOKDR-KBDOHKNDSA-N 487.553 0.941 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)c1 1829901273 YZRIPTMKMGXKOQ-XMMPIXPASA-N 498.561 0.669 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1830465314 CDAQFAIFYBDBMV-QFIPXVFZSA-N 461.902 0.600 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831196515 DIFTXCKAEASRDH-JOCHJYFZSA-N 451.568 0.031 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831330845 WJUNIZQEFVJTAA-JTSKRJEESA-N 478.571 0.265 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1831402384 XMJXBNHESCJPPN-GEZZUNRVSA-N 491.585 0.594 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ncccc1C)CCO2 1832773567 HEHVEYBWGTZYOE-FFYIOULGSA-N 456.543 0.637 30 20 JCED Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1F 1833672274 JXILZFYNJFQGPG-BNYUCHOMSA-N 453.471 0.456 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ncn(-c4cccc(F)c4)n3)CC2)CC1 1833929355 DDAZJZZFXQMSQU-UHFFFAOYSA-N 468.489 0.680 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)c1ccc(O)cc1 1835128538 ZKMSYKCXDFNGFF-FZOAFFARSA-N 469.538 0.624 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)C[C@H]1CO2 1835358891 MEXLWLJKQWLIJZ-IMRHEYAYSA-N 478.546 0.525 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1835677903 ZRDWUEHDZRTYOM-QFIPXVFZSA-N 456.503 0.575 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1835714798 WOHVAARETHDRPK-APWZRJJASA-N 472.652 0.459 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1835768268 VRMLCZLPXIAPIZ-XTVKVDEJSA-N 474.562 0.344 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nc(Br)nn3c1)CCO2 1836255759 SOSBTZRBLJSENU-IBGZPJMESA-N 477.319 0.866 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1837443952 UYFRZSAKJIKDGU-NHMXVPMISA-N 458.563 0.830 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1837490665 KNZZSLPVFRIAIO-RSXGOPAZSA-N 497.548 0.876 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837524818 OCPXPVDCVRMSRQ-IVWHYVCYSA-N 477.518 0.474 30 20 JCED Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837532349 BMZKUQHWTRCRTP-WBFDJEMLSA-N 463.535 0.738 30 20 JCED Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838078412 NKTFOHRDOOCKME-HXUWFJFHSA-N 486.495 0.791 30 20 JCED Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1838099440 KMRCFTXITBWAQW-HSZRJFAPSA-N 451.483 0.806 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838259262 UBWQRYHQZIQMKI-HXUWFJFHSA-N 452.895 0.709 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=Cc4ccccc4NC(=O)C3)CCO2)C1 1838443293 HTCIMGQVQVDLML-BVZFJXPGSA-N 467.522 0.907 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c1 1838584562 YTHVQIWRNAFZDU-PKTZIBPZSA-N 475.498 0.253 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1838907732 LFIUAYGBHSVZCZ-DVECYGJZSA-N 455.559 0.264 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839166063 FFAGNOSIAYIIBB-GSHUGGBRSA-N 468.551 0.047 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1839222873 CYVOLYVQGBTKEW-KKSFZXQISA-N 482.559 0.356 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)cc1 1839362745 LZMCORWMISQNPK-QHCPKHFHSA-N 464.482 0.025 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(NC(=O)c3ccco3)cc1)CCO2 1839471388 PJSXRZAPXKYIOQ-DEOSSOPVSA-N 481.461 0.690 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccc3[nH]1)CCO2 1839491157 GTDCCEPYUVFJKM-IYZQMXKPSA-N 453.499 0.491 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5(O)CCCCC5)C4)C3)cc2C1 1839621968 DBQYUKLXQHDXJQ-SANMLTNESA-N 499.612 0.487 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)ccc1F 1839783521 HGPWWZAVJWARMI-UGKGYDQZSA-N 479.530 0.273 30 20 JCED CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1839831086 ANVCYLCTBMQYGY-DEOSSOPVSA-N 492.573 0.963 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1)C(F)(F)F 1839893180 NYRQSHRNFZKKKM-SFHVURJKSA-N 460.409 0.887 30 20 JCED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1840027240 LWVWJDJQBRSDED-ORAYPTAESA-N 452.305 0.772 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C[C@H]2OCC[C@H]21 1840035913 KIFPNFNUHAECBS-LUCIHVKJSA-N 492.573 0.771 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1840169561 LKGZCDVMCMXIPC-UQBPGWFLSA-N 486.569 0.882 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2cncn2)CCO3)c1 1840419711 OEXHQOQHORARBG-AOMKIAJQSA-N 454.487 0.490 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)cc1C#N 1840762920 WQEHRXPBGYFMPJ-DFBJGRDBSA-N 484.553 0.942 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840800569 XFKPXHVAVSJQIZ-RUZDIDTESA-N 487.553 0.772 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]34COC[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1840839803 GPBBWWBDBCGDPH-LQGLAIQGSA-N 491.585 0.740 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840902990 MZXHMTYATJVHEQ-KOSHJBKYSA-N 454.527 0.955 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N(C)CC)C2)C1 1840909069 MAQCXMWMIAHGMO-AXHZCLLHSA-N 480.606 0.700 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1840909572 WQPWHHDARGECHQ-JPYJTQIMSA-N 475.546 0.325 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)c2ncn4nc(N5CCOCC5)ccc24)C3)c1 1844795352 AEMOMNKTJYIOHY-UHFFFAOYSA-N 460.498 0.896 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1847070001 BZGXNGWYWGCYST-OAHLLOKOSA-N 470.530 0.360 30 20 JCED CC(C)(C)OC(=O)N1CCN(c2cnc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C#CC(=O)O)cn2)CC1 1848343438 ROFXTARDLRZYKA-ROUUACIJSA-N 498.540 0.437 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O 510235939 LFTLVHASNMQINV-UHFFFAOYSA-N 454.892 0.150 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)cc1 524281920 GZQLCDBVAIOXPR-UHFFFAOYSA-N 474.608 0.329 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)cc2C)c1=O 603795008 IXCDDHNUKOOYRY-UHFFFAOYSA-N 498.649 0.905 30 20 JCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCNS(C)(=O)=O 608912761 BNJNXBHBMLGEIH-UHFFFAOYSA-N 492.579 0.876 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2\S[C@H](CC(=O)NC3CC3)C(=O)N2CC(=O)NC2CC2)cc1 726402649 GZAYJUJYQVOMTP-BLRPHQBRSA-N 479.584 0.081 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCS(C)(=O)=O 729674987 PWGBCOQUDXFVBG-UHFFFAOYSA-N 498.586 0.890 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1CCCCN1S(C)(=O)=O 744990352 FIWVRNGAHBISTR-KRWDZBQOSA-N 476.511 0.724 30 20 JCED N#Cc1ccccc1OCC(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 790089998 LSPUUAVGQGRUNK-OAQYLSRUSA-N 465.462 0.991 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)ccc1F 914657471 MNJBJPWKTPRCHU-OAHLLOKOSA-N 477.518 0.974 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2COCCO2)c1 918456130 PGRSILUVAIIXGF-CYMZXICGSA-N 452.533 0.750 30 20 JCED COC(=O)Nc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 918817711 SDJVNDQSCJONQD-UHFFFAOYSA-N 460.468 0.874 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(OCCN2CCOCC2)c1 920863651 UEZNUKBIFNZZJX-UHFFFAOYSA-N 458.540 0.753 30 20 JCED COc1cccc(CC(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 921009431 WQBZEZFVCSUKJC-UHFFFAOYSA-N 456.524 0.647 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1299323246 YVWYFQSCCGRDAW-UHFFFAOYSA-N 475.575 0.583 30 20 JCED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1300190985 KDEAIERDELRGCP-ZFWWWQNUSA-N 450.521 0.683 30 20 JCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1503809177 NXIAWWIEUSXPEE-IBGZPJMESA-N 450.547 0.696 30 20 JCED COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1555211325 ZZECIRITUPVSSG-DEOSSOPVSA-N 483.573 0.527 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CCC1 1692662803 IOTRBVYHBIIJGG-NXRFCRFCSA-N 458.610 0.651 30 20 JCED Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1707551400 NCGJFKQVKBYRGA-SFHVURJKSA-N 461.544 0.834 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1729299041 PFHLPDXSTKXTNO-PMACEKPBSA-N 452.563 0.935 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1748209907 TVTVVIRERNMPEN-AEFFLSMTSA-N 458.544 0.593 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCOC1 1761497700 KWWYMGYPJYLTOO-SJLPKXTDSA-N 474.591 0.908 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1763223508 NSUIFJUSRKJKIU-IBGZPJMESA-N 467.530 0.692 30 20 JCED C[C@H]1COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1763236135 XPYLAXLPKXTDFV-WMZOPIPTSA-N 467.596 0.072 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1770682157 XGEAXKPCLZYXTN-QFIPXVFZSA-N 472.571 0.892 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)C(=O)N4)C2)C1 1778384726 BSKNRNLSIFQCSD-RDGATRHJSA-N 481.505 0.680 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1778785810 RLBRZKLUBQZKOG-GHTZIAJQSA-N 453.612 0.932 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020739 UZHNGSSOMMKZTE-HFGSDPQMSA-N 454.568 0.358 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779344256 PXPGLJZJURNEMG-JHQANNODSA-N 461.519 0.898 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1)N1CCN(C)CC1 1779366177 VGGJJBFEFAYGEJ-YSYNBAMZSA-N 462.639 0.608 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779534704 MRAXRTGUHYQXAJ-JOCHJYFZSA-N 451.439 0.569 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)CCO3)c1 1780173676 AQIPFDCJJGGYTL-GZOOOWMASA-N 471.539 0.813 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)NCC)C2 1780738415 BOQLUFLFXXYLMK-DRSNIGMVSA-N 452.552 0.717 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5nc6ncccn6n5)CCO4)C3)c2c1 1782194503 BGHOFNZESCAPJW-QFIPXVFZSA-N 457.454 0.630 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1783269736 ZUKPZQHAEAKWAU-MNFWLRKXSA-N 493.605 0.010 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783443393 SDIRHJKEMHVBSH-MLCQCVOFSA-N 485.537 0.965 30 20 JCED Cn1ccc(N(CCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)Cc2ccccc2)n1 1783565524 MJVYHODCFZVTMO-RUZDIDTESA-N 479.537 0.735 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1)c1ccccc1 1784953455 KBDXFQHYPMOQNI-WOZUAGRISA-N 466.538 0.715 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)C2)C1 1785320735 GPECIOLRWREFTR-DRBYORDMSA-N 496.630 0.931 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2 1785376229 PAGVFKKIDCLVEH-HSZRJFAPSA-N 464.482 0.021 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1785578420 YCCLXSRPZYOGBL-PBNUPURSSA-N 481.546 0.349 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1785631469 DWDFHVVZJJIIFV-QVKFZJNVSA-N 453.540 0.344 30 20 JCED Cc1cc(NC(=O)CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)no1 1787491793 QCNPFEVWMCQMTN-HMRXFYLZSA-N 460.535 0.763 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788109239 DTQIEIQATYSQRW-XSLAGTTESA-N 461.650 0.592 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cc2n(n1)CCCNC2=O 1788256568 ZQRJJSPRQZLBKH-KATFJWFKSA-N 488.545 0.139 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1788576414 SLWGPNYNASRPCD-JYHPFIIYSA-N 495.617 0.911 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)n1 1788731545 PECOGQRDIVKTSG-RNYKKDJYSA-N 469.542 0.979 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1791543331 XTGZHSPDQVHEHV-BBWMQEJBSA-N 470.530 0.149 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1792268137 XQCOVPIVAJMPIF-JCHKBEJOSA-N 490.605 0.275 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792636143 WMXYFWMKJFOPIJ-QKPAOTATSA-N 466.535 0.582 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795084163 ZSUWZKMAQMHZGD-YYAJDYIMSA-N 465.551 0.251 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797810911 BJFJHSMWKCTYHQ-DDUXKKIFSA-N 498.577 0.645 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1799321939 SIIXIZYRXGJPJS-OREBXVKISA-N 481.594 0.028 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1799366999 SXUNFZPDDKPPCY-YYAJDYIMSA-N 461.519 0.365 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1799680629 VMGBTDMZQCCAGL-BAYUQKDNSA-N 472.542 0.924 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c(Cl)c1 1799750045 XXAGLHGGLSBZAA-CWPLJXCYSA-N 480.974 0.145 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(C(F)(F)F)cn3n1)C2 1800776139 UBQUOCRQGQBKNI-CULMDFNYSA-N 451.361 0.039 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1802126649 MELJFUUGOUUSMH-JYYAWHABSA-N 478.575 0.403 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806079792 IZKCIFWZESTBEA-PXNSSMCTSA-N 478.557 0.623 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808226721 RLKNFLOBZILMMR-UTKZUKDTSA-N 474.514 0.717 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809669748 CUCXOQULPXSIBZ-QPPBQGQZSA-N 485.585 0.761 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810351285 IGUMIKAKZJQYFF-RFWXGWTQSA-N 460.531 0.247 30 20 JCED CC(C)n1nc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1C(=O)O 1812873473 BSCVQDFYYYNABL-QRWLVFNGSA-N 453.455 0.965 30 20 JCED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[nH]n1 1815202586 LXOSRDWGEVEIQG-ZMYBRWDISA-N 455.519 0.911 30 20 JCED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CC1 1826324842 MTKQQMHQKDJDPN-RCCFBDPRSA-N 461.588 0.700 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCN2C(=O)OCc1ccccc1 1828592422 MNKZTVBSGVIWDC-YADARESESA-N 468.510 0.960 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(CCO)CCO)CCN2C(=O)OCc1ccccc1 1829315909 RZGMTMFYRBIAEZ-RUZDIDTESA-N 488.585 0.301 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330696 OMSQTCGPLZQQFC-DFBJGRDBSA-N 481.505 0.565 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1829356518 WSRLXSJZMQMAQH-VWLOTQADSA-N 480.521 0.940 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)CCO2 1830737968 JBZJIKIAKPXSTM-KCLVWISNSA-N 494.589 0.462 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccnc(OC)c1)CCO2 1832590214 IWGPOOORWCPIHL-RULWIFSWSA-N 472.542 0.338 30 20 JCED COc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833003785 VSTQLWYFYQMJMD-HSZRJFAPSA-N 453.499 0.993 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(=O)CCC)CC2)CC1 1833075223 WUCVXNAXQYRAQD-JTHGQSKGSA-N 461.607 0.721 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)c(=O)[nH]c1C 1833390442 XRVOPYIIOUZSKL-XMMPIXPASA-N 465.510 0.837 30 20 JCED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1833505334 APEWGWFZQUSQJU-QHCPKHFHSA-N 458.515 0.254 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1833607439 NUPHEVCJBIMSFE-AOMKIAJQSA-N 464.519 0.823 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c(O)n1 1833700463 YKDLWKMTRRINKI-QFIPXVFZSA-N 456.503 0.268 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)Cn4cnnn4)CC3)CC2)c(C#N)c1 1834876505 FAPXIEYSKAHEGU-UHFFFAOYSA-N 466.546 0.368 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1835677408 HWHNPBFQMMRSDE-NRFANRHFSA-N 473.559 0.438 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2csc(N)n2)CCO3)c1 1835794295 ZDCDGCVBOAFKQO-NRFANRHFSA-N 457.512 0.989 30 20 JCED Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)c1 1836200692 TUHHEKXUIHQHMS-QHCPKHFHSA-N 455.490 0.901 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(Br)c(CC)nn3C)CCO2)C1 1836281646 JFSZIRARJVOCIM-VFNWGFHPSA-N 497.390 0.853 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)cc1 1837319034 IFAYJLOWLGMNQO-IBGZPJMESA-N 455.389 0.734 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc(O)n1 1837529513 USQYXZPYHCWXGK-IRCLMUFRSA-N 462.503 0.695 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837529810 ZDVHFHLFIGIKOK-UZLDXKMBSA-N 472.502 0.557 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529841 ZQLUMKJLNYLAHU-AAKXFQNHSA-N 479.534 0.129 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564511 TZORBIRDQDIDDB-AUFWXUCVSA-N 456.503 0.446 30 20 JCED CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1837770106 NPPARPXWEWHKLK-LQOIVRHRSA-N 459.565 0.559 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1837869485 QCWQQTQHDJIHKZ-IBGZPJMESA-N 468.620 0.844 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)cco4)C3)C2)c1 1838580497 GUJLFPSOKBYDQY-HSZRJFAPSA-N 453.451 0.904 30 20 JCED Cc1cc(Br)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838750973 JVNGBMQYBHYYHN-GOSISDBHSA-N 471.329 0.977 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839130773 TVTKZPHALJFAKJ-WZOHSFFVSA-N 490.601 0.668 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185986 UYMUZGWNSNATOP-QHCPKHFHSA-N 460.506 0.611 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1839224783 ORXWSYYVVGCHKG-KNBMTAEXSA-N 453.565 0.270 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1839871443 IHRUZDJPGCCFPQ-ZYLNGJIFSA-N 469.538 0.482 30 20 JCED Cc1cccc(C)c1N1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1=O 1840040883 CIVFOEMRSITYBN-KBMIEXCESA-N 483.521 0.201 30 20 JCED C[C@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CN1C(=O)OC(C)(C)C 1840044872 DJLOIENSMVIZAY-HOOSLVGPSA-N 493.557 0.566 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2 1840715279 VYEKFESXIGZWSL-UZUQRXQVSA-N 473.599 0.868 30 20 JCED Cc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn1 1840818985 IKETTWRAIBITHX-HSZRJFAPSA-N 451.483 0.806 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1840908338 JOFRHVWPPWCVHV-UUOWRZLLSA-N 489.573 0.715 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(C)(C)O 1840916456 JKNAECRQMBZKNJ-DVECYGJZSA-N 479.574 0.520 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@H](O)NC(=O)OCC)C2)N(C(=O)OC(C)(C)C)C1 1844160191 VBBLZAIQXNDTPT-HOTGVXAUSA-N 466.535 0.820 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1847240187 ZSDROLYEEYPSFC-HWEJERSBSA-N 476.574 0.665 30 20 JCED CCCNC(=O)[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 60269624 ZVNXHZNPMYOMHN-LJQANCHMSA-N 461.588 0.629 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 511305012 DVDXXVYPABRPSZ-GOSISDBHSA-N 464.544 0.281 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3cccc(F)c3)c2=O)cn1 523180987 PXGYJOSOOBCZMV-AWEZNQCLSA-N 455.515 0.909 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCCC(=O)OC 524123655 UBJAGWTUJWHSCY-UHFFFAOYSA-N 483.468 0.546 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccs2)c1=O 573820357 RYJPFAVUMSUEHO-UHFFFAOYSA-N 466.610 0.082 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2)c1=O 603796023 IGUJOIGIFSYZSA-UHFFFAOYSA-N 458.559 0.656 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)C[C@@H](C)O1 608992145 WRPYWHUYCARJBW-QZTJIDSGSA-N 491.618 0.603 30 20 JCED Cc1ccccc1-c1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)c1 609220912 RRBNUKJUDOWYDM-UHFFFAOYSA-N 488.569 0.732 30 20 JCED CCN(CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1)S(C)(=O)=O 726402026 TYKHNPRIMWWRIC-HNNXBMFYSA-N 469.589 0.525 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccccc2F)CC1 838664879 IVGOZGIBMMUSSV-UHFFFAOYSA-N 466.542 0.439 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCOC)c2=O)cc1 916199886 LQXUYUXIIKEQKF-UHFFFAOYSA-N 454.596 0.786 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 917034290 HCQIFUUSSWCFRJ-QGZVFWFLSA-N 461.496 0.990 30 20 JCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1286876326 MZPNIOAUPXOCEM-UHFFFAOYSA-N 458.544 0.425 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 1317900597 ZBPIKICZSFMTDS-UHFFFAOYSA-N 462.572 0.727 30 20 JCED Cc1nn(C)c(N2CCN(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 1475202092 VFPUUIVWWQHSTC-UHFFFAOYSA-N 453.569 0.520 30 20 JCED CS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555807904 ITZGGOUNKVZKRO-UHFFFAOYSA-N 452.544 0.902 30 20 JCED N#Cc1ccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(Br)c1 1559612936 RIJVUKSYVATSDT-INIZCTEOSA-N 455.378 0.742 30 20 JCED COCc1nc2n(n1)C[C@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 1566302516 ZGFLFKVSVIAMJI-QGZVFWFLSA-N 458.544 0.828 30 20 JCED Cc1c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)sc2ccc(C#N)cc12 1621721733 VWFFJTYGOONYTO-JKSUJKDBSA-N 455.583 0.858 30 20 JCED Cc1cccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1649557303 QJXSXEYWKVFPMJ-ZWKOTPCHSA-N 458.544 0.647 30 20 JCED CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1706316498 YKYNGTRYRLDGOB-IBGZPJMESA-N 450.547 0.841 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722556413 QZPLZDQPWMNOIX-HNNXBMFYSA-N 497.043 0.224 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1747427359 NVGOHUZXJSEVBO-WMZOPIPTSA-N 499.663 0.028 30 20 JCED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1761447521 UMBUVNABBPWNQM-MRXNPFEDSA-N 460.560 0.935 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768267713 IBUHUFIURWDBIE-IRXDYDNUSA-N 464.596 0.077 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1768586812 LZGPHLAKYBMFID-SFHVURJKSA-N 487.586 0.393 30 20 JCED CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCOC1 1769782580 VCPGSXVRZHPGPK-OFNKIYASSA-N 470.530 0.876 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)c1 1780168517 HZRUSIUSIAKWDH-QFIPXVFZSA-N 463.454 0.055 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780331028 LDJQQRWIMRVSIJ-JPYJTQIMSA-N 473.530 0.966 30 20 JCED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)cc1 1781009640 VCJYMLOFRYOVBG-YZZKKUAISA-N 453.499 0.478 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781339294 BUDBAGUAMMZNRQ-YVHKJVDXSA-N 470.567 0.893 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1781382935 KZZLUOOTPUZHCW-QHCPKHFHSA-N 467.563 0.596 30 20 JCED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782026536 WWVWLIUEPUZUHF-LJQANCHMSA-N 469.903 0.243 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4ccc(C#N)cc4)[C@H]3C2)CC1 1783443519 RUZWMKMWHILONC-HJOGWXRNSA-N 481.597 0.635 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783836315 VEQQPFUUJIREAI-AOMKIAJQSA-N 498.602 0.448 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)N2CCOCC2)CCO3)cc1C#N 1785196745 NZFAXCQIWCCCFA-ISKFKSNPSA-N 472.542 0.440 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785344530 HQOGFGJWVOZQBJ-DVECYGJZSA-N 478.590 0.407 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785362089 OZKCXYWOQSILQC-YIGJPRQDSA-N 454.527 0.690 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1785609204 SUUAGLPPPIGSSC-MHECFPHRSA-N 485.541 0.770 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)N1CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1785614876 NATFQVXDWYTGEF-IPPNXFFKSA-N 461.515 0.692 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C(=O)C1 1785669258 FRADQTKUNQIQBF-XMMPIXPASA-N 489.573 0.589 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)C1 1786702661 GELORQBOWYBGJP-FKSLSLAPSA-N 464.563 0.888 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccnn4)C[C@@H]32)c(C(F)(F)F)n1 1787199324 LRWBYOYPAJDPTJ-RCBQFDQVSA-N 463.420 0.857 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)[C@H]2C1 1787421962 GQQRRNUROWJJKG-XAJHFOFHSA-N 457.593 0.920 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788552111 BPBQMAMCMJLMEM-MPTYRVRUSA-N 463.535 0.311 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCn3c(O)nc4ccccc43)[C@H]2C1 1789702585 SHAMYDSCENXLFH-BXWFABGCSA-N 454.483 0.590 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789881342 JUYHUZZXFXLWGI-VMXHOPILSA-N 466.579 0.960 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21)c1ccc(O)cc1 1791332199 SUNWLAPBWZKGFD-AKNSVXHUSA-N 485.581 0.520 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C[C@@H]21 1792176180 SODQEEFQNBBXHS-DWRORGKVSA-N 465.547 0.836 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)C3)cc1 1792558566 APZRTDVUFFDRPH-AYMMHLMVSA-N 477.521 0.697 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792628221 KHMSMPBJZHAROO-DMUMMCEESA-N 493.605 0.544 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)[C@@H](O)C1 1792629770 SSWNZJZPSZCJMF-ADHGMGHFSA-N 464.563 0.744 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793046018 AYNPHVQQMYBJFY-CVFMPKEZSA-N 469.538 0.782 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nnc(C)o1)C2 1793595031 JQJGNWFLOQBWFV-RCJHGTSTSA-N 463.535 0.980 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795084479 XAUODTDZAJJJFT-SFNKJDCFSA-N 489.573 0.253 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1795599408 CIBBFULUHMTNID-ALXJQNPVSA-N 483.529 0.164 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3nc4ccccn4n3)c2c1 1796102923 WURLXSSLGJNSLD-CCWDJLKJSA-N 456.466 0.994 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1797784414 WTVIRDMZFQVCHN-XEMDLRDOSA-N 456.543 0.827 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2I)CCC1 1798114302 LEXOYCUTBKQGPI-PTEHBNRSSA-N 469.283 0.911 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)C3)c1 1798573718 HAFSVCGNQJEJOQ-RACNMONISA-N 493.520 0.776 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)nc1 1799324800 ZLPHZTFMPHSHHS-FAQVEIGNSA-N 486.525 0.942 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1799391452 KHGQMYCDGNRBSD-AFIMGQEJSA-N 452.533 0.489 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)nc3sccn23)[C@H]1c1cccnc1 1812877146 DBFJHKZTFJURFB-KUHUBIRLSA-N 451.464 0.559 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)c1 1815064534 RVULCQMUIQIMBM-HIFRSBDPSA-N 456.528 0.842 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1819425323 XJVSIWJWTNDYCY-CVEARBPZSA-N 456.503 0.699 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1828029314 BFDXEJXJPQNLJI-KGLIPLIRSA-N 456.528 0.599 30 20 JCED C=CCSCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828521085 UISWUSSFEQKYMW-JOCHJYFZSA-N 463.556 0.668 30 20 JCED COCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828530036 MGTBYECILATDMH-XMMPIXPASA-N 471.510 0.953 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828924872 HNAQIHRCZIYAKD-OFVILXPXSA-N 499.568 0.893 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)cc1 1829628381 QDYLTODBENGTGX-HYBUGGRVSA-N 454.527 0.473 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c1 1830456869 VAUMXLPFCUHNQU-YKSBVNFPSA-N 454.527 0.473 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1830574019 VDLOVZBZHMHWRK-AUUYWEPGSA-N 481.468 0.447 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)NCc1ccccc1 1830678035 YKOQXOZZGLFIEA-NDSYCNRYSA-N 497.596 0.787 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1831391894 GUDHQKBNKGPQHF-MWTRTKDXSA-N 456.499 0.164 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc(OC)c3OC)C2)C1 1831399232 RZFBTSWZLAVBBV-HJPURHCSSA-N 464.490 0.951 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1831407167 PUOLBYNERWNLGM-QHCPKHFHSA-N 495.598 0.679 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)c(C#N)c1 1831465181 YJALNNRAGBHBIR-SBUREZEXSA-N 493.582 0.246 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1831998080 CHCIRKXGWJAZOZ-XFAGBWLFSA-N 494.589 0.438 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(N5CCOCC5)cn4)CCO3)C2)CC1 1833614059 HOIMGVGJYBMEDW-HSZRJFAPSA-N 455.515 0.292 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cnc1Cl)CCO2 1834552558 IXUPNPVSVSQENW-XSAUMEDDSA-N 462.934 0.972 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835342346 XSNSHIOXUHMOJC-KOSHJBKYSA-N 492.573 0.773 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cc2NC1=O 1835345680 UHLRQTSOJNZOOC-IQMFZBJNSA-N 454.483 0.780 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CN5CCCCC5)CCO4)C3)c2c1 1835379311 OLWLBMGUNHAGIG-DEOSSOPVSA-N 466.542 0.990 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)[C@@H](C1CCOCC1)CN3)CCO2 1835500271 OBGYAYZAFYUEQU-RLWLMLJZSA-N 497.548 0.780 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nc1 1837488365 BTUHHNYGXXRPIJ-VWLOTQADSA-N 470.570 0.916 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837489305 CQQJDTXJCXYFIN-DEOSSOPVSA-N 467.526 0.727 30 20 JCED Cc1noc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524470 IDLAPJSHVWKABJ-CMQXEDBBSA-N 450.492 0.890 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837527370 LZAAGFJYUWSMCX-WYMZOHKPSA-N 461.515 0.705 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837770942 XIPHNFIOVIHVII-YAGIXUNFSA-N 498.483 0.842 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(CO)on5)CCO4)C3)c2c1 1838804876 DCGGSQFAMOHWJG-JOCHJYFZSA-N 466.454 0.299 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1)C(C)(C)C 1839222328 KJEAACYZULXPIW-AQOAWAETSA-N 454.568 0.795 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839645749 QLHZBUCDGGQWBF-DNEJYPSXSA-N 494.589 0.952 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839693804 ZWYIJYIEADOPIY-UUOWRZLLSA-N 473.574 0.641 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839773611 BZFIGKDXXLERPU-XXBNENTESA-N 466.575 0.949 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1839881938 OPUVAKMYQKQNRH-RGZWJVDOSA-N 496.605 0.827 30 20 JCED CCc1nc2ccc(Cl)cn2c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041864 LMOVWFSAYABTGK-QFIPXVFZSA-N 474.901 0.708 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840042830 QEGGEBSTLBCBNW-KOSHJBKYSA-N 493.557 0.568 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(O)cc1 1840044172 OTPAYHAMTKTRTP-NTKDMRAZSA-N 454.479 0.434 30 20 JCED CN(CCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(=O)OC(C)(C)C 1840045193 VWXFOYVHHOKUOF-QFIPXVFZSA-N 467.519 0.178 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1840055289 NPPWAUKELDNOFK-MHECFPHRSA-N 495.573 0.703 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]3CCO[C@@H]31)CCO2 1840071745 HHHKWGCAIXTQOB-OMANQYLTSA-N 477.558 0.348 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840077862 PUQNRESWQRDPGP-QHCPKHFHSA-N 486.562 0.022 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840158028 GEKGBJGCCZNJAO-HRAATJIYSA-N 487.619 0.523 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1840170293 WJJKSDHBXIGIKF-JOCHJYFZSA-N 458.540 0.999 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1840175983 PXZMUOQLAJYOJN-OPAMFIHVSA-N 469.535 0.475 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840176300 GVUXKGICBYZBOH-VGOFRKELSA-N 453.536 0.655 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840365271 FGIMDQDUUMBGDB-BVZFJXPGSA-N 479.537 0.922 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cnccn4)CCO3)C2)c(C#N)c1 1840458027 HDVKUMMEBHTUPQ-VWLOTQADSA-N 479.537 0.989 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1840715921 QUHALKOBGNKYJZ-OSPHWJPCSA-N 481.509 0.958 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1841627576 DJIXFEGMMRNKQL-SQWLQELKSA-N 454.618 0.324 30 20 JCED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 19188759 RUKOTGAILSHWHW-LBPRGKRZSA-N 459.318 0.813 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C(N)=O 26754398 GZUDXEPSBKXXIV-UHFFFAOYSA-N 464.525 0.361 30 20 JCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 506549173 XSWRFKADDINKPX-UHFFFAOYSA-N 465.532 0.005 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCc1cccc(C#N)c1 514554085 NKRVZRYZPGBLJV-UHFFFAOYSA-N 471.539 0.758 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C1CCN(C)CC1 517983523 SQIHAHGRIXNMLC-UHFFFAOYSA-N 461.613 0.597 30 20 JCED N#Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc5c(c4)NC(=O)CO5)CC3)C2=O)cc1 521798706 VUUDQTXLOQQGGC-IBGZPJMESA-N 495.517 0.528 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1CCc1ccccn1 523182572 RTVFVUGQGFRZIF-UHFFFAOYSA-N 495.630 0.560 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(OC)cc1 603552697 PKOIOSXMOWPFEF-UHFFFAOYSA-N 481.578 0.746 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C 604270097 FEBASVOTMKLRDQ-UHFFFAOYSA-N 482.484 0.924 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(OC)nc1 608884674 QHUDUFGBOXSNFS-UHFFFAOYSA-N 451.508 0.353 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 608890914 CIVXDFJGGRLABF-UHFFFAOYSA-N 484.534 0.982 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)cc2Cl)c1=O 619537677 YIYXKEKQKIWWCY-UHFFFAOYSA-N 491.013 0.933 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 642950976 PCNQZRJHLUGUPB-UHFFFAOYSA-N 486.598 0.895 30 20 JCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 726988329 ONZGORGFHNIYSW-INIZCTEOSA-N 484.494 0.391 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCc2cccnc2)c1=O 727813761 GLOLJWPPCGKCSE-UHFFFAOYSA-N 478.578 0.260 30 20 JCED CN(CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)OC(C)(C)C 727892421 IDYPYVOVLLWVQM-UHFFFAOYSA-N 480.543 0.801 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CC1 728534035 DMCKSKRCSVDVGT-RTBURBONSA-N 460.600 0.860 30 20 JCED COc1cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)ccc1OC(F)F 729671007 FRNQGCZRAJJRQS-UHFFFAOYSA-N 455.464 0.591 30 20 JCED CSc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 729673221 IYQMEXVRFPYTEJ-UHFFFAOYSA-N 479.649 0.952 30 20 JCED N#Cc1ccc(S(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 916773341 GHKDAAXGRJSPHR-UHFFFAOYSA-N 453.473 0.837 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 1136626184 PGJWXPCHTUQJAN-KRWDZBQOSA-N 450.517 0.059 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1139102122 IGWGTHTVPCYRSS-HNNXBMFYSA-N 454.574 0.642 30 20 JCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 1169880800 PINOMJLWTGWYGQ-ZWKOTPCHSA-N 451.618 0.957 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN(C)C1CCCC1 1611706907 HQBPSTAPBHCTST-APWZRJJASA-N 464.640 0.939 30 20 JCED CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1711395385 ZTONSPDHFQKGHR-KRWDZBQOSA-N 488.618 0.608 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1 1722479978 NNYLSBCLQQQAKC-CYBMUJFWSA-N 473.401 0.857 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749251731 INYYNGXDBZVTLB-CABCVRRESA-N 462.020 0.678 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cnc2s1 1777991871 ZJDCUVFSXXYJIR-QFIPXVFZSA-N 472.571 0.790 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(C)(C)n2nc(C)ccc2=O)C1 1779505628 MDYAZJMRFRHAPJ-KHCICDEESA-N 458.559 0.839 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3nccnc3C(N)=O)C2)c(C#N)c1 1779941621 LZAGPFFMOIUULG-KBMIEXCESA-N 492.536 0.826 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781311394 UTIGEEAFTSBRBO-NTKDMRAZSA-N 469.494 0.775 30 20 JCED CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)C(=O)C(=O)O 1781543496 QZPGWQIGJXBSLP-UZUQRXQVSA-N 482.497 0.105 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCCCNC(C)=O)NC(=O)OC(C)(C)C)CCO2 1783054191 BUHIGFGZHXOYSM-MBSDFSHPSA-N 464.563 0.649 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783189756 BRNFMHHSRVEPGA-VGOFRKELSA-N 450.536 0.259 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)c(O)c3)C[C@@H]21 1783528357 QSTAGURRDQYEQH-DHHFMQQHSA-N 457.527 0.781 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C[C@@H]21 1783531405 XRDNBPKWDUJKGF-OTWYLLFQSA-N 490.582 0.078 30 20 JCED C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564917 OWBRGRSCWWBXOO-ICPLQIHGSA-N 463.531 0.940 30 20 JCED CC1(C)C=C(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CN1C(=O)c1ccccc1 1783566963 BUZOYWNZCAXCCV-VWLOTQADSA-N 465.506 0.765 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1783641515 CNOMTNRAYMGBRY-GRJZNYKUSA-N 479.574 0.615 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783991483 ZMVMXDDRUDUNAL-TXTZMMAHSA-N 455.552 0.443 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2)c1ccc(O)cc1 1784013974 MNFLVRAPLSMFPM-OFVILXPXSA-N 473.570 0.006 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784153608 SPEYVBHBVJEVGT-XSLAGTTESA-N 475.542 0.844 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)[C@]34CCN(C(=O)OC(C)(C)C)C4)C2)C1 1785622916 ZINKOQNUOKARKF-QODMOLNLSA-N 496.630 0.508 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cccn2c(O)nnc12 1787386221 XHAIUAZUAOKOFQ-WHCFXRPQSA-N 455.519 0.500 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788191022 DZHOZEMJBJIVJO-BURNTYAHSA-N 493.649 0.683 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)C1 1789810934 JLDPKMBBYHAOGY-TXTZMMAHSA-N 462.547 0.498 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1 1790853201 HELZPVHVCCVQAZ-OKYOBFRVSA-N 478.590 0.928 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1791078159 VSMFGRJDNUQCAO-XSLAGTTESA-N 461.515 0.620 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1791103227 RDANACIEMXBEIJ-OKYOBFRVSA-N 477.558 0.836 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC#C)NC(=O)OC(C)(C)C)[C@H]2C1 1792255541 OAYXHDDIGLFCLF-CXQPBAHBSA-N 461.559 0.921 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C3)C1 1792439598 WAZSRKIUDJBIEQ-FCGDIQPGSA-N 492.621 0.699 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C 1793389487 VPFJGGZKZRFTMM-JJTUDDRGSA-N 487.619 0.987 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O)NC(=O)OC(C)(C)C 1795645473 HVRCJJGOAQLZIL-PHSQPZKOSA-N 482.578 0.498 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801051631 QRNOLFPVJRJDID-XRGQIBNMSA-N 471.620 0.902 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801983829 FNTXAJUCVKDFMJ-DFGXFYAUSA-N 478.546 0.726 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1802478918 UULWRRXGCRNPBX-SHTUXIEVSA-N 477.587 0.274 30 20 JCED CN1CCN(CC(=O)N2CC[C@H](CNC(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)CC1 1810286517 MAZKUKQCKUXIBK-WYFHTRIUSA-N 455.607 0.807 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815770175 ALCWZCYDZMDTOD-JKSUJKDBSA-N 465.470 0.951 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cncn3)C2)C1 1828580357 QKXUEZOSRCSQLW-CPJSRVTESA-N 494.552 0.769 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829232775 WMBPVPOOBVLCQH-UQBPGWFLSA-N 496.520 0.147 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1831183756 SZNFLBIFOOYDPR-LHSJRXKWSA-N 497.474 0.957 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1831387842 LXRKJCKKBJKQMJ-HXAGEGRHSA-N 483.565 0.530 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831447474 SLYTVRWCVJOOOJ-HSZRJFAPSA-N 491.566 0.472 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832155656 HUPIFEBAEXFWLV-QZTJIDSGSA-N 450.458 0.038 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)CC)CC2)CC1 1833421813 MINMNPFVMCBMPU-QGZVFWFLSA-N 450.580 0.982 30 20 JCED Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1834087563 QMELXJWZYPAIDN-QHCPKHFHSA-N 451.483 0.806 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)C 1835677859 OWXCBXWKCFOTCJ-GCJKJVERSA-N 452.552 0.312 30 20 JCED Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)n1 1836055424 KWDXFAFKBAHVDT-DEOSSOPVSA-N 451.527 0.923 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837195907 CDVKYYYHIHUQGZ-NBBJKDIKSA-N 472.502 0.557 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524868 ICMVGOKXLMBZTO-ZERTVAQJSA-N 452.552 0.456 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)no1 1837549420 VKRSDIACKIJMKZ-DEOSSOPVSA-N 499.499 0.423 30 20 JCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)CC2)CC1 1837835916 NBXVHWVKJYQZQK-LJQANCHMSA-N 492.621 0.775 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1839175742 BVEUEZTVIUVFAM-HSZRJFAPSA-N 462.547 0.545 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)ccc1F 1839187692 RHEBJJFPLOJLDC-QFIPXVFZSA-N 455.446 0.506 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c([N+](=O)[O-])c1 1839462151 KMLNBUXJBIUNNC-XCLFUZPHSA-N 467.500 0.770 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1839668049 XKICMNCPWBTOEL-AVRWGWEMSA-N 477.521 0.842 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)=NO2)C1 1840002639 BMXLLCDMWMKZCB-PKTZIBPZSA-N 491.545 0.512 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(NC(=O)OC(C)(C)C)(C1)C3)CCO2 1840003323 KGRRQVPWNYDEQL-NUIDASMPSA-N 491.585 0.929 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1840073095 IMKAWSOSUQADHK-NWVWQQAFSA-N 479.574 0.617 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(OC)OC)C2)C1)c1ccc(O)cc1 1840219719 ZVMQNLYYPSVHQB-CYFREDJKSA-N 460.527 0.965 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(F)ccc1F)CCO2 1840809454 YYGKZWRIVISGSS-IYZQMXKPSA-N 463.481 0.822 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)C3)C2)CCC1 1840814212 VDZFBFCGLXEALQ-XMMPIXPASA-N 491.508 0.335 30 20 JCED Cc1nccn1CC(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820339 KWWAZOHNGFDWSH-HSZRJFAPSA-N 453.499 0.599 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)OCC)C2)C1 1840907422 UYDYLTMNELSDBA-WUZFSOLFSA-N 493.557 0.479 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 1843923158 IKWZWPKIZMESIV-VFCOFNOGSA-N 452.555 0.949 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C1 1847044426 KRHDYXHCOIUKPI-JKSUJKDBSA-N 451.520 0.685 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1847068529 DQQNAGLSMOQYIK-VFNWGFHPSA-N 451.520 0.722 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1847069537 OYWPGVOQKHYGAA-QZTJIDSGSA-N 479.530 0.601 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C(C)=O)CC1 1847940779 XXCQFAZBNRAWKL-AABGKKOBSA-N 477.606 0.822 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C 1848073896 UJTSAQLTNSBBPY-FHWLQOOXSA-N 498.646 0.778 30 20 JCED CC(=O)N1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 18662049 BFUUUHBXDZRRMW-UHFFFAOYSA-N 462.528 0.193 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)cc(C)c2)c1=O 520868418 ABGIKQXNONKJLA-UHFFFAOYSA-N 454.596 0.888 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(F)cc2F)c1=O 523089533 LGDMOXHJEJFFRC-UHFFFAOYSA-N 476.549 0.892 30 20 JCED CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 583278843 LXDVDZVMXZESFA-UHFFFAOYSA-N 490.563 0.572 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O 589157643 JAHNKHWCNNCVIF-NSHDSACASA-N 461.927 0.938 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CC(=O)N(C)C 604499211 QSLNRELHQBSRAJ-UHFFFAOYSA-N 474.608 0.758 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(=O)N(C)C 609220130 HGNIYZRCPRWZQH-UHFFFAOYSA-N 498.605 0.367 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C(=O)OC)c(C)o3)c(=O)n2CC(C)C)CC1 613080522 BMYCDLVWXXPBAR-UHFFFAOYSA-N 486.594 0.921 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2nnnn2-c2ccccc2)CC1 728150352 QNPFSYMGFZXDJF-UHFFFAOYSA-N 466.527 0.045 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC1 728530851 WEXFPLFVFBQESR-UHFFFAOYSA-N 466.610 0.795 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccc(OC)cc1 837426558 FGVKPKKYOKVDGA-UHFFFAOYSA-N 481.578 0.550 30 20 JCED Cn1c(=O)c2ccc(C(=O)[C@H](C#N)C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc2n(C)c1=O 917011489 NQMCVCFTHUYCID-KRWDZBQOSA-N 491.464 0.212 30 20 JCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCNc1ncccc1C#N 917157712 XQTYYEABNKXKNM-KRWDZBQOSA-N 465.557 0.263 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)cc1 918254680 LIUKYFGCCHBZMO-ZLVLUESYSA-N 462.528 0.998 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc3c(cc2O)OCO3)CC1 919450064 SOMBHOAOVKMEQV-UHFFFAOYSA-N 473.463 0.682 30 20 JCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccccc3OCC(=O)N(C)C)nc2)CC1 920369216 VBWXIEJQXGZDMW-UHFFFAOYSA-N 460.560 0.931 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)c1 927575198 PUVAWGZMTRDSHY-RDJZCZTQSA-N 450.513 0.945 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCCCCC2=O)C1 1302480106 QMWNLWFVWJCBKJ-DYESRHJHSA-N 497.597 0.846 30 20 JCED CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1314924883 QGDQEOJKFQTXAX-SFHVURJKSA-N 486.527 0.941 30 20 JCED C[C@H]1CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1494532040 WFDCKQOSFQIUHJ-XDNAFOTISA-N 452.581 0.408 30 20 JCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1503809202 OOZDCYVNBSDISP-INIZCTEOSA-N 450.547 0.742 30 20 JCED COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1=O 1730779412 PTAJPRMNQASEPY-IEBWSBKVSA-N 481.557 0.891 30 20 JCED COCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1749614057 PRBSFLGCMRXPLW-UGKGYDQZSA-N 492.602 0.907 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN2CCCO)C1 1751278904 YYRPXZURRNWDGQ-XQBPLPMBSA-N 495.650 0.588 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1767086895 VDYHAEMRBRWESD-UHFFFAOYSA-N 472.571 0.962 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779397350 DQCIFGGAXKLVSV-YCRNBWNJSA-N 462.591 0.907 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1 1780168047 CLTGBMNPPXZFKS-QHCPKHFHSA-N 452.467 0.325 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781096809 IRJWSTCZHAJJNE-OHUGHZGNSA-N 491.633 0.369 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729369 BRPYBWPAJSEYBF-SANMLTNESA-N 466.582 0.912 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NNc3ccccc3)[C@H]2C1 1783550365 KYOCMDPPZGENBB-KFEDGSTOSA-N 455.559 0.830 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)NC3)CCO2)C1)C(C)(C)S 1783779214 BFPRJEKTBBZCDJ-QDOIMOTRSA-N 498.646 0.944 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785173903 HBSXHPMICHZVNI-ONTIZHBOSA-N 477.521 0.742 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622453 KNBYYKTVYLSLSL-HOYKHHGWSA-N 493.605 0.962 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C(=O)C1 1785669287 HBWODIBRLAGGCJ-HSZRJFAPSA-N 475.546 0.199 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786367398 KGDWLOLEPIJEQB-AVEIZBFRSA-N 450.536 0.498 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cnnn4)[C@H]3C2)cc(C(F)(F)F)c1 1787091962 MYERFGRUEUFXOH-JQFCIGGWSA-N 463.420 0.857 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787477339 GFFBXFFWMTUEFB-XQIJWDMOSA-N 450.452 0.440 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788138431 BTSMHBAGGDSOAF-VJANTYMQSA-N 492.573 0.725 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C3\C(=O)Nc4ccccc43)[C@H]2C1 1788532638 ZINQJOLOCVLTPV-XMPSOHPZSA-N 464.522 0.860 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)c1Cl 1789271162 HXDDDLXVCFSIDV-XIRDDKMYSA-N 456.886 0.730 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1 1790273562 WXJCEPCWHKZMEK-IITNATTFSA-N 478.553 0.931 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc[nH]n3)[C@H]2C1 1790660126 HNIBIESCKFJAPS-WNHJNPCNSA-N 459.547 0.849 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791077752 HIILRFCUFKGMAD-JCHKBEJOSA-N 475.542 0.701 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)[C@H](O)C1 1793258639 SZJJAEVLUBNULW-YWIBANCPSA-N 475.586 0.997 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2cc(C)on2)C3)c(O)n1 1794491099 SYMASAVFUBQOSX-VPTLXERWSA-N 483.525 0.835 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCCCO)cc1)C2 1795599469 KUQGFEJXSDQFQO-CEQLMSFQSA-N 458.559 0.933 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)cc(C(F)(F)F)c1 1798357036 OLITUSQCAIBYLT-MIFYACCESA-N 488.426 0.983 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)cnc2C1 1799093426 JFOKZXPMDKVBIW-MUJYYYPQSA-N 471.514 0.974 30 20 JCED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1800490761 SIFNMDXKKAFIRD-UGNRZPKXSA-N 468.558 0.981 30 20 JCED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1800823587 IKYQVOYIDXCQKJ-AINOVGTFSA-N 470.526 0.652 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1801991691 GJBYUSBCOPNPCZ-OPMZPASUSA-N 495.561 0.432 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1801994552 QWMWGCBKSUPXMJ-GPVSGQMNSA-N 451.483 0.655 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1802043122 MXSHVPJJQFNRMW-BAYUQKDNSA-N 467.501 0.976 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1802139983 XEOYLOSRJHVMKF-BGGZRJPJSA-N 480.562 0.108 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2 1802140900 UTKSICQPRGOFMS-AJFQYHAUSA-N 495.646 0.529 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)[C@H]2SC(=N)NC2=O)[C@H]1c1cccnc1 1803548176 YOQVQWRFBOLFGE-UDCKQINGSA-N 457.556 0.928 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1808439768 CJHRDBSPHFBJKL-LAUBAEHRSA-N 480.525 0.851 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1808848533 CYUWCWABASKSHG-SIIHOXLZSA-N 467.490 0.328 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810355939 GOJPXPWHZXGZTG-KXDCJMJPSA-N 460.535 0.209 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1811718370 OYTJWZLTDHGJFU-HRAATJIYSA-N 464.457 0.964 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(N3C(=O)C=CC3=O)cc2)[C@@H]1c1cccnc1 1813973469 LYLLNAXSMKHXQG-UUOWRZLLSA-N 472.457 0.919 30 20 JCED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1815799323 CHGHIAMKQKLVNU-OAHLLOKOSA-N 466.502 0.263 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)C1 1822203739 MSXHUZKWIZMNIF-IVZQSRNASA-N 475.502 0.862 30 20 JCED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1825105104 KCASWABESDFDOY-GDBMZVCRSA-N 476.603 0.372 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828583619 NHYWKLZASSQZOJ-UQBPGWFLSA-N 481.505 0.565 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)n1cnnn1 1829635696 MFCLMUOSALISIZ-VGSWGCGISA-N 453.503 0.195 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)CC2=O)c1 1829637903 SFYIGVJGEKIBLQ-SBUREZEXSA-N 456.499 0.418 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=C/c3cccnc3)C2)C1 1829773671 PZKFLJABGBYTNE-RVNFTQAYSA-N 454.527 0.800 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)c1 1830458863 KDUHXXWPIRIKKV-RUZDIDTESA-N 492.536 0.201 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(Br)nn4c3)C2)C1 1831215011 HDLDLKCNOFBTSE-NRFANRHFSA-N 488.342 0.975 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831341156 JMIKWSGVMBLIMB-HXUWFJFHSA-N 469.947 0.716 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(OC)c3O)C2)C1 1831398340 AERMUEBBGBFXCG-QMHKHESXSA-N 462.499 0.518 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1831413423 YAOZMJHGYLSYNP-QFIPXVFZSA-N 478.502 0.196 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1831997810 GMESORUWMZQHIP-YADARESESA-N 496.605 0.244 30 20 JCED COc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)ccn1 1832594739 NLYZKHVEAXKBCA-DEOSSOPVSA-N 473.574 0.761 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1833476108 XXNKMRWKZFMKLO-GOSISDBHSA-N 470.636 0.575 30 20 JCED Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c1F 1833709389 KHEOENOCMVPBCQ-HSZRJFAPSA-N 481.488 0.999 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834241162 FISFLJAGGUWJEG-SBUREZEXSA-N 477.562 0.960 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CC(=O)Nc3cc(C)on3)CC2)CC1 1835108510 RGYSJOMWNQPSDC-QGZVFWFLSA-N 459.547 0.922 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)CC2)CC1 1835432088 DHXSNKPYAKPYKG-PMACEKPBSA-N 462.591 0.809 30 20 JCED N[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1cccnc1 1835835529 XLLKZHQBWHBWIV-NHUJHXEESA-N 458.563 0.400 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836068097 WYEWGJAKIVNTQL-SBUREZEXSA-N 493.561 0.846 30 20 JCED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836761798 IPLYPZWGYWRSEA-HKARXFIJSA-N 479.530 0.034 30 20 JCED Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)cnn2c1 1836949665 VCIPMRRVPSAUNQ-ZVHBRLOBSA-N 486.529 0.637 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837443402 JHLJFSKRLPRTBK-SHIRAINQSA-N 455.519 0.500 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837486316 ARLUCLOZQOUEPP-DEOSSOPVSA-N 457.527 0.859 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1837530911 SWJQJCPKWYBCOF-SYGXVLRESA-N 498.540 0.866 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cc(C)on4)CCO3)C2)c1 1837549046 JWDVHYGNRCTJMO-XMMPIXPASA-N 497.508 0.363 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837559835 ARNCFLCNGQJYDH-UUVZMSSXSA-N 489.550 0.872 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1)c1ccccc1 1837616175 ATWCVQKDJAGFHU-URXFXBBRSA-N 451.527 0.932 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)c(C#N)c1 1838337768 DFFAYAMOAAVMJP-XMMPIXPASA-N 466.494 0.513 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)CCO3)C2)c1 1838605237 UMVBZZKMALOFKM-HSZRJFAPSA-N 493.480 0.262 30 20 JCED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c(O)n1 1838671486 KRZNBAAUERLYFD-RGEBAEOJSA-N 462.503 0.695 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(C(=O)OCC)c1)CCO2 1838722915 NFPFELFXPPGMEE-DEOSSOPVSA-N 489.525 0.838 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048787 RRKHFSHYUBPHEI-ABBHQSEISA-N 469.546 0.200 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C)nn4C)C3)C2)c(C#N)c1 1839131675 RMVIOVZVEYKEQK-DEOSSOPVSA-N 467.526 0.922 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)c(C#N)c1 1839131961 KMXLWBWSTWXDDE-ILBGXUMGSA-N 479.537 0.661 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1839203215 DDOVUDOASCOMLC-IEGUWTFLSA-N 485.578 0.310 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)cc1 1839361205 XHKPQTXFDVDKBY-QHCPKHFHSA-N 458.584 0.871 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)[C@H]1SC(=N)NC1=O 1839420358 DREHSFBKCYCICH-OIAISFKWSA-N 489.529 0.570 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn4c2OCCC4)CCO3)cc1 1839518487 PNSGNBFYTUBPKN-QHCPKHFHSA-N 451.483 0.921 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839668842 QXJLYIXIKCQOIQ-QHCPKHFHSA-N 452.467 0.069 30 20 JCED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1839715363 ADTDMNLJXZDPCQ-QHCPKHFHSA-N 455.490 0.901 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2ccnc2C)CCO3)c(C#N)c1 1839715549 ISPVGZOXUILQHD-DEOSSOPVSA-N 467.526 0.771 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864840 SIYVIXOYGXYXAD-MHECFPHRSA-N 494.589 0.405 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1)C(F)(F)F 1839892113 UIPIBDHNMPBKAR-LJQANCHMSA-N 491.488 0.815 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840071896 MOEOEIAAMQBUCN-LQGLAIQGSA-N 491.585 0.617 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1840108117 IVGXOWWJLLRADG-JKSBSHDWSA-N 454.568 0.507 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1840212305 FTJYPTXJAYVWOQ-HYFFOGBASA-N 453.536 0.394 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251451 FKKFUPNKOJWXQE-UAKAABGRSA-N 479.574 0.779 30 20 JCED NC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cc1 1840648066 UNJGAMDVRLFNNF-RUZDIDTESA-N 469.538 0.554 30 20 JCED Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818657 OHXMRURZSWXBFL-HSZRJFAPSA-N 453.499 0.749 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1840821022 XAVCRLAVHZJCST-DEOSSOPVSA-N 456.543 0.879 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3c[nH]c4ncccc34)CCO2)C1 1840869886 YMRWFJQCLBFIQW-UUOWRZLLSA-N 454.527 0.990 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840904931 WAYDXFLXVNHKHS-NBGIEHNGSA-N 473.570 0.754 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2 1841055150 ZNEJMEVTSLHMJS-VFCOFNOGSA-N 452.555 0.949 30 20 JCED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)C[C@@H]3NC(=O)NC3=O)C2)ccc1Br 1841961127 BPRVIQREWWFEKX-AWEZNQCLSA-N 460.288 0.736 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1845130550 GXLHJLHHLYEGDI-SJORKVTESA-N 463.579 0.479 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1cnn(CC)c1 523859490 RMCQMAJSCDRNGN-UHFFFAOYSA-N 463.519 0.692 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)s2)c(=O)n1CC(N)=O 524282728 HZBROFLRUWKRPL-UHFFFAOYSA-N 450.545 0.929 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(F)cccc2Cl)c1=O 550466313 KBMZZZSVXSPMOC-UHFFFAOYSA-N 498.989 0.377 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCNS(C)(=O)=O 589160676 LPKCMCTYYCOCCL-GFCCVEGCSA-N 453.611 0.947 30 20 JCED CNCCCc1[nH]nc(NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)c1C#N 598541914 PAXBAMLIKJFSCG-UHFFFAOYSA-N 454.491 1.262 30 20 JCED COc1ccccc1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccs2)c1=O 603791680 CYQLEAVAUHOSDZ-UHFFFAOYSA-N 496.614 0.921 30 20 JCED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)oc1C 608828313 NSSRNPOHTRBPOD-UHFFFAOYSA-N 492.513 0.468 30 20 JCED CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 918243143 IAWKUMJGFAZJDY-FCBDOIIFSA-N 479.603 0.911 30 20 JCED Cn1cc(/C=C\C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(=O)n(C)c1=O 919046383 NLMTUKLQFWTHPU-WAYWQWQTSA-N 494.464 0.109 30 20 JCED CS(=O)(=O)c1ccc(CNC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 919319266 ZBFXLJXGRCVPJC-UHFFFAOYSA-N 464.521 0.736 30 20 JCED CCN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1295081347 XOKODBXDQXLOHQ-MRXNPFEDSA-N 456.576 0.924 30 20 JCED COCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1301480356 NPPIPGVSSBEBJC-JKSUJKDBSA-N 454.553 0.156 30 20 JCED Cc1cc(N(CCC#N)C(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)ccc1Cl 1616498158 XAVXUOBKYFRROD-RBUKOAKNSA-N 454.980 0.671 30 20 JCED CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617305145 AXNXYYNEWQXBAI-MRXNPFEDSA-N 458.548 0.537 30 20 JCED CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1617396311 VBWOHAOZADILON-HXUWFJFHSA-N 473.603 0.915 30 20 JCED COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1618867182 SPXLXMVKGJYVCO-QGZVFWFLSA-N 459.528 0.756 30 20 JCED CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2C#N)CC1 1697022495 PGRHKHZACVDTCK-UHFFFAOYSA-N 469.575 0.816 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1705755168 NHEVXSQHGLNSRF-UONOGXRCSA-N 470.017 0.623 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1747544844 OKUBYRLUETWQTQ-JOCHJYFZSA-N 455.588 0.895 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760365923 MFRLJQJRXHWEPR-LBPRGKRZSA-N 455.006 0.406 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1765649471 OXAPXMOCTXAPIT-DEOSSOPVSA-N 483.573 0.792 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1766731456 RPPWCYYNFTZANM-HNNXBMFYSA-N 461.548 0.335 30 20 JCED CCOC1CC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)C1 1767695842 KQMZZKFVVWQWES-QCTRZYONSA-N 456.569 0.279 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1 1780178050 WBLKNPGDLGXWJR-IIBYNOLFSA-N 450.459 0.059 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1780739524 KKZYMUGIZNYNJG-UZUQRXQVSA-N 476.530 0.281 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782872505 UBOYUBDSQYCDIO-HOOSLVGPSA-N 492.642 0.989 30 20 JCED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cnc4c(O)nc(NC(=O)C(C)C)nc43)C2)C1 1782885960 NAHAMOHJSXCRKL-JOCHJYFZSA-N 471.518 0.532 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1783277937 NUTPNJUDEWCHLX-SEPYTNNBSA-N 494.593 0.756 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1C(=O)N(Cc1cccs1)CC3)CCO2 1783566694 YSHQGCUUGXKHOD-QHCPKHFHSA-N 497.533 0.132 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)C[C@@H]21 1784482056 DAGHKQSTXGIHTA-IWFBPKFRSA-N 481.553 0.511 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)n(-c4cccc(=O)n4CC)n3)C[C@@H]21 1784482066 DOWHAGVBNRFDIK-AQCRLBJHSA-N 495.580 0.994 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CNC4=O)[C@H]3C2)c1 1784949087 PCCWCHYYWJEMMR-FHWLQOOXSA-N 453.499 0.022 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(I)c(O)c3)C2)C1 1785270398 JAYQHIAJSKYXTB-SFHVURJKSA-N 484.246 0.528 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2)NC(=O)OC(C)(C)C 1785304300 FKIWWOYDWCQTOI-NBGIEHNGSA-N 493.649 0.923 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787477337 GFFBXFFWMTUEFB-JEUIJMJCSA-N 450.452 0.440 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4ccc(Br)cn34)[C@H]2C1 1788460433 DCCPXLGOPULWJX-NOLJZWGESA-N 475.299 0.778 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCc5nc(N)n[nH]5)[C@H]4C3)c2c1 1788505985 ICHCJLFMBMCEFO-QRTARXTBSA-N 463.502 0.361 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1788661780 YIYUHGIUVBOKDS-UVWQYKLCSA-N 484.600 0.355 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327542 QZYTVGREQHXYIZ-UUXHPUJUSA-N 468.514 0.179 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)[C@H]2C1 1791103247 SVCDNJIQLSVERC-BCYZHJNNSA-N 495.573 0.461 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1)C2 1792489476 ZUJBUVSTXAFEAQ-MVDLGSMLSA-N 494.564 0.784 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1792566680 ULYWKIDVLQWAMI-FNXCXNLRSA-N 466.498 0.789 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2 1793339941 BCWZAFGMCNJTOD-FTEYMNFISA-N 467.563 0.546 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)n(C(C)C)n1 1794434777 PQLRVUWPRKUFIQ-CCWDJLKJSA-N 462.503 0.875 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)CC2)CC1 1797281058 WHMIUDGSBSNAOU-JHDGKUDLSA-N 459.591 0.603 30 20 JCED CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)ccn1 1798686272 ATVKTBHZJGYCJZ-YDRXGEHBSA-N 474.514 0.991 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799323027 NYMJNNSALPZJNF-NYYTWLDWSA-N 451.520 0.510 30 20 JCED COc1ccc(Br)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1799436021 HEMRLAODLLWCPW-KSPBDQMDSA-N 451.273 0.749 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2)c1ccc(C#Cc2ccccc2)cc1 1799614084 MXDROUYZRBRLST-UFOJEMMLSA-N 491.588 0.576 30 20 JCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1C(=O)N(Cc1cccs1)CC2 1800123751 INZZPXNMPOJLDC-CCWDJLKJSA-N 468.539 0.717 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3CC3)C4)c2n1 1800344447 IJCSFZGZVRCECF-HGKCTWBKSA-N 495.540 0.129 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)OC)CC1 1800553141 KWXPPLVWTYKORC-YVSFHVDLSA-N 465.547 0.999 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800726384 RJCJTVDRWBRJPO-GHPQEMMVSA-N 461.515 0.452 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccc1 1802111373 FWWGIBCYKFNJLH-XSXVQVEKSA-N 454.527 0.253 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)c1 1811410692 QOGQJUBPNYMKJP-APTRMMRNSA-N 479.537 0.932 30 20 JCED CS(=O)(=O)N1CCC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)CC1 1818816017 UMNQYDMQJQDBGF-OAHLLOKOSA-N 451.505 0.161 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819674599 JTRRJOXOVWTQBX-DGCLKSJQSA-N 474.543 0.848 30 20 JCED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cnc4c(O)nc(NC(=O)C(C)C)nc43)sc2C1 1824823275 XFTPQWJIMPUHET-LLVKDONJSA-N 482.526 0.828 30 20 JCED C[C@]1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCCN1 1829216462 NTFMMARAJPQFMR-RPBOFIJWSA-N 482.537 0.669 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cc3cnc[nH]3)C2)C1 1829332624 SEQUWHXIGITDGL-XMMPIXPASA-N 479.493 0.492 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1829635582 LHZIMGIUFOVYIW-OFNKIYASSA-N 475.567 0.524 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(F)(F)F)[nH]3)C2)C1 1829770130 DXYALTXDAUWWIT-KKHYBRAUSA-N 470.448 0.962 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1829782587 ZUQFXCOGFXGBPV-QFIPXVFZSA-N 471.620 0.861 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1829947393 YOIWUDKBZUBZME-LLJLJFOGSA-N 494.589 0.438 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)cc1F)CCO2 1830173522 MREMCZZRIJXVLL-IBGZPJMESA-N 469.263 0.746 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830184610 PWOWCXSHRKEJDR-HTAPYJJXSA-N 481.571 0.961 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)C2)C1 1831387960 NWUVDDZSUWGHEK-IUKKYPGJSA-N 467.563 0.642 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1831438476 OFSQPLMFBIYBMQ-JTSKRJEESA-N 485.553 0.993 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3COc4ccccc4O3)CCO2)C1 1832497584 POQRHFTZNGLRLJ-NMMYMHLASA-N 460.527 0.856 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1833198756 HLEHADVLMOIRJY-LPQMPUQFSA-N 463.535 0.505 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(-c4cccc(F)c4)n3)CCO2)C1 1833351989 JOHWTCDFKJDNAZ-GAJHUEQPSA-N 471.489 0.515 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833466510 GXFBJOMPKRLSCX-RXVVDRJESA-N 494.633 0.872 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NC(C)=O)CC2)CC1 1833486638 NWCLZCVLSXMQNU-UHFFFAOYSA-N 450.580 0.982 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834241161 FISFLJAGGUWJEG-HXOBKFHXSA-N 477.562 0.960 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccccc3=O)CC2)CC1 1834822934 JMYOULKWSQEQNJ-UHFFFAOYSA-N 456.591 0.702 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)cc1 1835440611 YMUBMNJYFIOFOR-DEOSSOPVSA-N 456.543 0.279 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681129 QEUMNSMZFNNBOC-KBMIEXCESA-N 485.585 0.543 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(C(=O)OCC)ncn4c3)CCO2)C1 1836254000 PJVPVVARKPAOMN-AVRWGWEMSA-N 498.536 0.619 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1836468605 IUNHYLDPVLGTFN-UTKZUKDTSA-N 451.545 0.877 30 20 JCED O=C1COc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5(O)CCCCC5)C4)C3)cc2N1 1836992294 HCXDZZRRBXFFRQ-AREMUKBSSA-N 497.548 0.786 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1837395383 YQVRCVYIAUDMOI-VGSWGCGISA-N 451.495 0.872 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1837401208 VMUBTRUHEUWYKZ-NBGIEHNGSA-N 490.553 0.479 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1837446666 MEVTVZWZIIKXCK-JKJLQIMHSA-N 454.531 0.876 30 20 JCED Cc1nnc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C/N=C/c2ccco2)CCO3)s1 1837560145 PYWSSXHQFDIOID-IQTGRTGDSA-N 461.544 0.948 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838477801 LIQMMAZPEGDCEP-XMMPIXPASA-N 471.510 0.579 30 20 JCED COc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838732436 QYVGOAMEOMGYFN-HSZRJFAPSA-N 453.499 0.993 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ccc(F)cn5n4)C3)C2)c1 1838740798 VBHDXHJWSOBBNQ-NRFANRHFSA-N 453.434 0.452 30 20 JCED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1OC 1838841488 YPGMUYUOKSZDPI-JOCHJYFZSA-N 455.471 0.682 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)C(C)(C)C)C3)C2)c(C#N)c1 1839131415 XGTXXBTXJMUKGO-URXFXBBRSA-N 459.543 0.973 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132297 BMDOLXCNAUBMFY-IQGLISFBSA-N 486.569 0.871 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c(C#N)c1 1839132527 JCHFGZSDDVKWFT-ZEQRLZLVSA-N 489.525 0.182 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1 1839452158 JGIDSFCHUUVYGZ-QFIPXVFZSA-N 453.455 0.452 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)c1 1839452826 YNCYKLIOWFQMEE-QHCPKHFHSA-N 456.499 0.779 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)c5n[nH]c6ccc(C#N)cc56)C4)C3)(C1)C2 1840006429 CECZPGOBWFRPPN-STEQJIOHSA-N 493.520 0.848 30 20 JCED COc1ccc2c(CC(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c[nH]c2c1 1840040111 OLHCFINTHDVLJP-QHCPKHFHSA-N 455.467 0.263 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H]3CNc4ccccc4C3)C2)C1 1840041966 SANRCWWKYUDFBQ-KOSHJBKYSA-N 455.511 0.595 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044457 XZTNFZVTJQGRSU-FSCJKDELSA-N 491.541 0.319 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1840157321 LCWMMJKUXLIRPV-WAIKUNEKSA-N 475.567 0.376 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1840180867 YJDDCKQEPUKXEB-FCHUYYIVSA-N 479.917 0.897 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2)c1ccc(O)cc1 1840233667 XUXKLFKLHIYLOC-ISJBWFOZSA-N 483.565 0.872 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1840294076 MKFJOOMGYYVEJX-HSZRJFAPSA-N 455.515 0.595 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1840347030 ZEWKZJNGXQXXGM-DGEAWOGYSA-N 460.579 0.818 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1840906680 GTXVGMSKRGTXAH-KHCICDEESA-N 494.589 0.274 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1840908266 GSVANKCGOTUVIP-NLFFAJNJSA-N 492.617 0.845 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N1CC3(CCCN3C(=O)CCC#N)C1)CCS2(=O)=O 1842814437 MZOCAYIWRWESBX-INIZCTEOSA-N 480.587 0.918 30 20 JCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c(C(F)(F)F)n1 1843169083 QRVJFIPCCOAHIN-UHFFFAOYSA-N 472.387 0.834 30 20 JCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@H]1CCS(=O)(=O)C13CN(C(=O)OC(C)(C)C)C3)C2 1846370942 RPTINHFUYHHGAK-HUUCEWRRSA-N 487.644 0.932 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)c1=O 24711643 UKSWIFJNKPLNTO-UHFFFAOYSA-N 468.510 0.901 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3ncccc3c2)c1=O 501779977 ZZOBTHNFMFUKLF-UHFFFAOYSA-N 492.557 0.773 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc3c2OCCO3)c1=O 523735620 FDSJDHHGTDQTHU-UHFFFAOYSA-N 498.605 0.385 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 523743804 ORDRWXJSIPHAHP-CQSZACIVSA-N 460.512 0.509 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O 555735859 OSLQRASWJLYZQR-UHFFFAOYSA-N 452.458 0.689 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cc1C 604270478 RHDBMLKWXYOTAJ-UHFFFAOYSA-N 454.552 0.441 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1CCc1cccnc1 609038262 KJGKWRLGALXHLG-UHFFFAOYSA-N 452.561 0.971 30 20 JCED COCCN(C(=O)CN1CCN(c2ncccc2C#N)CC1)c1c(O)nc(=O)n(CC(C)C)c1N 619510078 LCYKYDJXKGNIAQ-UHFFFAOYSA-N 484.561 0.255 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)C1=O 726043295 USRMAWCXKGKBDE-UHFFFAOYSA-N 477.499 0.327 30 20 JCED CCCCN(C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 821722201 ADGBBVMGYJSRJI-CQSZACIVSA-N 471.557 0.084 30 20 JCED Cc1nn(C)c2ncc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc12 878530685 XAVFOMSLKCFCDR-UHFFFAOYSA-N 482.522 0.838 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(Cl)ccc3-n3cnnn3)CC2)o1 915413832 BZMSGXPKJUHMPW-UHFFFAOYSA-N 456.850 0.989 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1316359977 NQBANIXPLADZCJ-GOSISDBHSA-N 456.532 0.468 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C1CCCCC1 1359474715 WISDIYCTIDUZKM-FUHWJXTLSA-N 481.623 0.998 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1510199989 RAVPHNIFAOVYBU-DAYGRLMNSA-N 458.610 0.843 30 20 JCED CN1CCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1517423792 XCOYNEJPFAUQHA-UWJYYQICSA-N 498.629 0.079 30 20 JCED COC(=O)C1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCS(=O)(=O)CC1 1524067586 KSAMNGUMEZWOMZ-ZDUSSCGKSA-N 453.904 0.801 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1541925884 JJBYBZFDOOOZLG-IEBWSBKVSA-N 494.666 0.961 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)CC1 1589295878 LQEAVPSHFYGNDJ-ZDUSSCGKSA-N 451.391 0.565 30 20 JCED CS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1698319029 UETJCYDKSGVFBV-SFHVURJKSA-N 454.516 0.734 30 20 JCED CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1761256517 YADYDBJEVKFVKI-MRXNPFEDSA-N 466.550 0.415 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1766702241 PZDCJSAGUYETKM-INIZCTEOSA-N 458.610 0.592 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)n4[nH]nnc4n3)C2)c1 1777820821 XGWZYDNXQRDMCK-NTKDMRAZSA-N 490.524 0.445 30 20 JCED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1)C(F)(F)F 1777823668 UJJXPFWXYZSCLL-SJKOYZFVSA-N 455.397 0.059 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778916904 GRZFRIFGJIGACE-ZDWFVDTJSA-N 459.547 0.735 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139440 TUARGGMAPQHICY-FYWXSZBBSA-N 469.494 0.991 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 1779901385 PILPULCIJSQTNJ-WAIKUNEKSA-N 473.530 0.845 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1)c1cccs1 1782956183 GLNAUKVFPIOCHT-YWFTZVROSA-N 452.554 0.894 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783168307 YNXFHLOZVXVTCE-OYYQPBACSA-N 462.547 0.422 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1783181152 HMSKXTFDSKTKCQ-VKIFBMEASA-N 486.635 0.943 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C[C@@H]21 1783531015 FQOLICXVEYBFDF-KXBKKGDSSA-N 494.589 0.364 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1783681103 PAJRDUUAJGDLHX-RUZDIDTESA-N 474.554 0.564 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@]3(CCN(C(=O)[C@@H](C)S)C3)C1)C2 1783895439 RRBNRKUCNIPRRZ-WIEQDCTASA-N 450.561 0.770 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2)c1ccc(O)cc1 1784022500 PSMBBZKIRUFNHN-CJAUYULYSA-N 477.521 0.922 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2)c1ccc(O)cc1 1784023435 RUAHMJADOXZBRZ-CLOONOSVSA-N 465.506 0.644 30 20 JCED CCC[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784178670 YHRZMWMMPWQAOB-MUGJNUQGSA-N 455.511 0.653 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785151775 NNBRQWBHBMIPFR-SIRPWMCASA-N 493.561 0.034 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2)NC(=O)OC(C)(C)C 1785308899 ZVPAIWHXIXMJJS-DRSNIGMVSA-N 477.566 0.924 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785541413 UIRFPPJARARVRW-CNNGFVDASA-N 470.573 0.206 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788557073 FNTYNOJRZGHHAJ-OVWQWFNUSA-N 477.562 0.702 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc(C)c(O)nc4=O)C[C@@H]32)c1 1790274371 YYBCMXVLKOSQBW-IHPCNDPISA-N 465.510 0.731 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1)NC(=O)OC(C)(C)C 1791265982 WIUNEBHSLZGVSA-GVRJEKJASA-N 473.592 0.741 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1-n1nccn1)C2 1792490727 LLSHNWIQFFSNCD-TXFQXBMRSA-N 450.499 0.329 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1)[C@@H]1SC(=N)NC1=O 1792557285 YDOJTVFBVRGSIV-CCVIWZPMSA-N 455.540 0.493 30 20 JCED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1793320219 LFGKLSCAAQDKIS-JLVBRIDZSA-N 484.372 0.959 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)nc4cccnn24)C3)c(O)n1 1794491993 MDHSVSFFWTXNQM-MFKICJERSA-N 490.520 0.826 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795082634 SQPDGWQMPXFCIM-KYHPRHEASA-N 479.534 0.295 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(C)(=O)=O)CC1 1795360705 PCTSQNVKWQEGBK-ALXJQNPVSA-N 498.602 0.161 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2)[C@H]1SC(=N)NC1=O 1796422869 RYWHGYGJHPEOHS-XRPQVBHESA-N 469.567 0.883 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(=O)n4[nH]nnc4n3)c2c1 1796574755 YUWONFOQEDZXJM-CLLJXQQHSA-N 458.442 0.126 30 20 JCED Cc1cc(C)n2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)c2n1 1796920811 VPUMOWLFMJBKIH-IZZQQSIFSA-N 453.547 0.831 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)ccc2C1 1799985316 UJRGPGGXMFYOQE-FAQVEIGNSA-N 498.536 0.666 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O)c1ccc(O)cc1 1800261986 FKNSBORNVBLRIX-AYMMHLMVSA-N 471.510 0.022 30 20 JCED CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800778465 ADEUIUFLWRRBPQ-UIVXKWKOSA-N 499.511 0.946 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@H](C)C#N)c1 1801763592 GNLIULYSDFSWAG-FELIOZHLSA-N 478.553 0.987 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)NC)C2)NC(=O)OC(C)(C)C 1801930112 QIJAAERUGFNODR-UIVXKWKOSA-N 452.552 0.572 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCCN(c3cc(NC4CC4)ncn3)C1)C2 1801988657 MAHUZJFFBOJAFK-OQIJWPOYSA-N 466.542 0.994 30 20 JCED Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)COc3ccccc3C#N)c(C)n2n1 1801995988 YOWLQWXMEVKGRR-FEJSZKPUSA-N 475.509 0.895 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807358085 VIJBJZOWTYUCHE-IDHHARJASA-N 466.502 0.933 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCCNC3=O)[C@H]1c1cccnc1 1809680393 YWEGJZOZHUWRAR-AWWPTUBISA-N 491.552 0.590 30 20 JCED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1812583812 AUNQJWFIKJAPHJ-QRFRQXIXSA-N 493.568 0.747 30 20 JCED O=C(CN(CCO)CCO)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1812715813 YWMKGIZWFUHKKE-OKEGVBJISA-N 457.531 0.086 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]1c1cccnc1 1813065359 LCMGDWUEJILEFR-HCLVMJGWSA-N 459.547 0.985 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1814062374 GBBFMDBKLBPZRS-MSYCTHLASA-N 464.526 0.631 30 20 JCED COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)Cn4cnnn4)sc3C2)c(C#N)c1 1815685604 IKEIIUXMNQJPAS-CQSZACIVSA-N 452.500 0.865 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1819899793 AUDMJJQDOMROCO-HXNSDUKSSA-N 499.615 0.315 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC#N)C2)C1 1829138102 RZQLEUZTHMNGHS-BWKNWUBXSA-N 499.568 0.893 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCN2C(=O)OCc1ccccc1 1829226388 ANZAFCJDGYKTNK-HYFFOGBASA-N 462.572 0.891 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1829766293 QDBIHTAOBWSPNB-IYZQMXKPSA-N 457.483 0.344 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1829770036 CIAVOMLERBILFE-KIEWMECHSA-N 455.511 0.305 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Sc3ccccn3)C2)C1 1829773814 WTDUILTUUKZOAW-ADWLJLTJSA-N 474.583 0.877 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1O 1830248599 UFEJDVPBDPAFNH-LHXMNEFISA-N 491.541 0.929 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCN2C)CCO3)c(C#N)c1 1832065131 PLWHPBNBYMHDDI-URXFXBBRSA-N 456.543 0.660 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251777 XKBVKYFVPOAEMG-SJKOYZFVSA-N 470.416 0.371 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832298871 UJPQNIXTGYOMQT-CYFREDJKSA-N 494.589 0.228 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)Cn3cncn3)CC2)CC1 1833075055 MIRJVXHEUWLJJQ-XDXAGZTOSA-N 457.579 0.344 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1833334222 FZPFHGCEDHANML-AMFJNGDOSA-N 469.498 0.822 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn(C)c2C)CCO3)c(C#N)c1 1834425584 AQYGXLMAUUOJPB-DEOSSOPVSA-N 467.526 0.922 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835211629 PJRWFTOYUFOFNS-HXOBKFHXSA-N 469.579 0.883 30 20 JCED O=C(CCN1CCOC1=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835454084 XTZNSLLDQFYMBZ-HKOYGPOVSA-N 462.595 0.872 30 20 JCED COc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835674844 GJTIBDBZDMYRRK-XMMPIXPASA-N 473.574 0.761 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccn4)CCO3)C2)c(C(F)(F)F)n1 1836165921 MVDKQLKXJBOZER-HXUWFJFHSA-N 478.431 0.939 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1836768999 HNBMSVNJPXLRFL-IMRHEYAYSA-N 465.547 0.084 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCc3[nH]cnc3C)CCO2)C1 1837330621 QUTRPONXVSKFSF-PGRDOPGGSA-N 466.604 0.981 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nc1 1837441024 NFZYGMMGKLXWAK-JKJLQIMHSA-N 458.563 0.689 30 20 JCED CN(C)c1cncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837488813 SSNLXPHPULFSRC-RUZDIDTESA-N 470.570 0.916 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838325025 YVGKOZBNOKTDRU-YCRPNKLZSA-N 463.491 0.056 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1839421756 JSVRUHYIODLUCB-QFIPXVFZSA-N 471.445 0.342 30 20 JCED CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839643485 PAYWQXUJODUOMU-QMHKHESXSA-N 454.531 0.845 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)cc1 1839779505 ATZUGPCECGHIEE-DENIHFKCSA-N 461.540 0.134 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccc(Cl)cc4nn3)C2)C1 1840041923 PPPNIIKYNNSKCI-NRFANRHFSA-N 458.858 0.441 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1840108309 OXJGHQJUHASOEX-UQNRQAKVSA-N 482.578 0.437 30 20 JCED CCn1c(-n2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)cc2C)cccc1=O 1840159843 PCSOJKRQLLMFOH-HXOBKFHXSA-N 489.598 0.751 30 20 JCED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1841608335 NWCBTGMFWIFVKZ-IAGOWNOFSA-N 480.610 0.937 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ncn(C)n1)C2 1846365625 IEYYWFDVDJUCEZ-HNNXBMFYSA-N 491.549 0.438 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1847071287 XBNOIIZYQJGLCC-INIZCTEOSA-N 484.557 0.750 30 20 JCED N#Cc1c(CCCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)nn(-c2ccccc2)c1N 33023892 CKGQJXQVYIMDCD-NVXWUHKLSA-N 470.555 0.411 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC2)C[C@@H](C)O1 517179429 MUHBZIQHCXVQPG-QZTJIDSGSA-N 493.586 0.806 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 518067423 ZQZNTFIYYSGKQB-OAHLLOKOSA-N 472.589 0.219 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828642 FGGJMQLPKSYMEK-UHFFFAOYSA-N 489.604 0.091 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccc(C)o3)c2=O)cn1 608884568 MWNMNSNAWFWONR-UHFFFAOYSA-N 495.561 0.156 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 608912532 PYKXRWIKSCXJEE-UHFFFAOYSA-N 498.542 0.753 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2CCc2cccnc2)CC1 609038919 QGSUBNSYBQDZEV-UHFFFAOYSA-N 463.563 0.808 30 20 JCED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 609226120 MVHGUFIQSXFTOH-UHFFFAOYSA-N 452.471 0.836 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(OC)nc1 726961597 KZQSPCPKVSLHJG-UHFFFAOYSA-N 457.537 0.333 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CC1 728573808 VQLZERUVVTXJTE-UHFFFAOYSA-N 463.604 0.331 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@H]2Oc3ccccc3NC2=O)CC1 749941939 RALXOHKPJQKTFB-LJQANCHMSA-N 498.517 0.724 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CCOC 838221486 JHTIKYKMKWVGPO-UHFFFAOYSA-N 484.347 0.723 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Br)c(O)c(OC)c2)c1=O 916199504 HOVGLWAJASTZAE-UHFFFAOYSA-N 494.367 0.815 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2cccc(Cl)c2)sc(=Cc2cnn(C)c2)c1=O 918730313 YNKGOWBTXCHPEF-UHFFFAOYSA-N 455.927 0.771 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1Cl 919727403 RMDSFJRDBHDGOT-CQSZACIVSA-N 467.978 0.035 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286628152 YVGJHHWKIBIIDM-CABCVRRESA-N 458.972 0.613 30 20 JCED CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1293638433 KPHQTXOAIJDEON-DYESRHJHSA-N 461.544 0.894 30 20 JCED CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1=O 1360017756 JGTSLELZUWWNRS-QFIPXVFZSA-N 472.571 0.671 30 20 JCED C[C@@H]1CCCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1512186016 MBAJXXPCAXCBHE-NCXUSEDFSA-N 481.623 0.460 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)C1 1519530638 PCKFXAPPRKKTFM-IFXJQAMLSA-N 462.511 0.649 30 20 JCED N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1521136662 HEBHTNOIMICTMT-SFHVURJKSA-N 461.544 0.568 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCN1CCCO 1541926146 NMIFKQJOQGZOEP-WMZOPIPTSA-N 453.613 0.865 30 20 JCED COCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1555440728 VMBXXMDRIKSNJP-HNAYVOBHSA-N 456.544 0.870 30 20 JCED CN(C1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1)S(C)(=O)=O 1642233343 VNJQARNXQGHYIU-FQEVSTJZSA-N 451.568 0.890 30 20 JCED C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 1648479258 MZTBKSMLXJKOSZ-CQSZACIVSA-N 450.542 0.964 30 20 JCED COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1665970933 JCHBLQUJEQCYTM-UHFFFAOYSA-N 450.517 0.696 30 20 JCED Cc1cc(C)n(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)n1 1707840079 XIULYOOUFJAIKU-IEBWSBKVSA-N 475.623 0.969 30 20 JCED CCN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1710142922 VUEHPZOHQLWTRR-LPHOPBHVSA-N 472.637 0.982 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722481407 YNWAUBUZSSWBLY-VXGBXAGGSA-N 462.374 0.353 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS(=O)(=O)C1 1751096361 QCNQWNHIZXVNSJ-PMPSAXMXSA-N 474.609 0.174 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781045378 PBCJUJPFAQOORI-GSRZOBFVSA-N 478.590 0.236 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COCCO)CCO2)C1 1781295291 MIKXNKRATSEEFM-JTSKRJEESA-N 455.552 0.685 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1)NC(=O)OC(C)(C)C 1781425451 FYWNBORLORIDDP-JTSKRJEESA-N 462.551 0.968 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)NC[C@@]13CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C3)C2 1781593000 DQKZCBAJOREEGZ-BUKPSGGLSA-N 486.525 0.224 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781961209 HILGMBWRZMVKDV-VLIAUNLRSA-N 452.508 0.469 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)cnc2c1 1782010375 KKLBMWFPUQDWHO-UZUQRXQVSA-N 452.467 0.218 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4ccc(C(F)(F)F)cc4n3)C2)C1 1782176914 NDJSUBHQCYNOOA-LJQANCHMSA-N 450.373 0.885 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783189619 AGTRLEBTFDRVOB-NLSFWIRASA-N 464.563 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1784186245 LYFOSRFIUITZPL-VJZNMOPWSA-N 490.557 0.601 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1784784139 GBLZHOCYXHHVJR-XSLAGTTESA-N 490.557 0.361 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1785574816 TWLWDHKRAOWXTC-AOMKIAJQSA-N 451.520 0.686 30 20 JCED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)[C@]34CCN(C(=O)OC(C)(C)C)C4)C2)C1 1785622897 YNNNJBLVFGMRBI-DPSWKAHMSA-N 476.574 0.766 30 20 JCED CCOC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)CC1 1788660817 NXLZSSHAQAXLTJ-HLIBSZEHSA-N 451.520 0.838 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344010 BAZGBPOEVYVTIS-BMFAXAFESA-N 474.562 0.722 30 20 JCED C[C@@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1789839726 BJZSSJQUMJGNSW-XWSJACJDSA-N 491.589 0.641 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1789904185 HEPRKRULBCLWTN-FKSLSLAPSA-N 466.579 0.960 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1)N1CCN(C)CC1 1789907122 KJSXVLIESSUNAU-FAHLNCGFSA-N 471.577 0.855 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]32)ccc1Br 1790197619 UGVCBEPPVCUFQK-PLYYQAHHSA-N 492.374 0.507 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccc(O)nn4)[C@H]3C2)c1 1790591099 HIOKFTRDBUODKO-ZVZYQTTQSA-N 455.446 0.865 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)[C@H]2C1 1791064993 SZZHBJMUHRLDFR-UKJYUXCISA-N 451.523 0.914 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(=O)OC)CC3)C[C@@H]21 1792258797 QOLHWHBNDVTXRG-XSLAGTTESA-N 477.558 0.836 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[S@](=O)c1ccccc1)C2 1792490394 QXVOIBAPMUIDEB-AAIWGJDHSA-N 459.568 0.631 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1)c1ccccc1 1796109264 VLOLQRCNJVZFGP-NYUBLWNDSA-N 475.509 0.213 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/N2CCCCC2)CC1 1798429937 MJAZFCBRYQWVRT-JMSVLVLTSA-N 453.609 0.768 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799064539 PSQXNYKAMZYZHL-DACLVMHWSA-N 494.639 0.385 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799071939 BYEWYTVMYAWXBA-YALNPMBYSA-N 452.602 0.436 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1799325248 ZCHGCJHPORYHIS-JCECYMMASA-N 477.566 0.683 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C(F)(F)C1 1799383779 GKECDNAZRXKJJP-KRXQYRFLSA-N 485.484 0.556 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1800010101 GKKNJDWAKLNOHU-YVSFHVDLSA-N 478.546 0.474 30 20 JCED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCN(C(C)=O)CC2)C3)c(C#N)c1 1800032486 AEGZRGACVNGGBC-KOUNCHBCSA-N 467.570 0.912 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1800825449 YJSKNNKNXBHLLB-KMWNMMNJSA-N 450.536 0.640 30 20 JCED CCn1c(-n2nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)cc2C)cccc1=O 1801988851 OSKWXHWEHZLUAI-BJWYYQGGSA-N 451.483 0.702 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)nc3cccnn23)[nH]n1 1814437886 LSBCBLKDRSTNKE-QWGSZXSUSA-N 476.497 0.977 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1819391921 ZHLHYDGBNRRVHM-LUJYGJGBSA-N 479.607 0.604 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824974486 GQHMMWAQVJXDHL-ZOFUBUOUSA-N 498.646 0.866 30 20 JCED C=C(C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2)C(F)(F)F 1825260880 JOMYFWFFZKIALM-LLVKDONJSA-N 466.507 0.904 30 20 JCED CC(C)[C@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828558653 FDYIAASAGJEHKV-XUZZJYLKSA-N 471.510 0.543 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829113668 NYWAWDRABUNCBM-AUSIDOKSSA-N 487.513 0.417 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829231203 CXQOTZRKXVYVEG-CYFREDJKSA-N 467.526 0.973 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1829260355 PMARBYOBMYDNHP-DEOSSOPVSA-N 454.527 0.986 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831412653 WMSKBJFNZGFFNN-DVECYGJZSA-N 499.605 0.701 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1831426783 JYGRRYDQIUQAOT-OSPHWJPCSA-N 472.542 0.538 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c(O)n1 1833696277 YQQRTVSATSNFJI-OSPHWJPCSA-N 472.542 0.502 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCNC)CCO2)C1 1835658475 PVKWXNKWXYRULP-JPYJTQIMSA-N 468.595 0.912 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835753335 IKTGCTFYLDAXIW-QFIPXVFZSA-N 476.618 0.408 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1835768139 NSQTWRUSNJYZRP-BVILKZLKSA-N 484.619 0.664 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(C)C)C(C)C)CCO2 1835892650 GAZKQOMHAHFYDF-RTCDDDCJSA-N 450.580 0.324 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836165736 AQAVIHWTCNFNPF-FDDCHVKYSA-N 477.562 0.809 30 20 JCED Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c1 1836203303 YMCKAEDUUNKCRO-HSZRJFAPSA-N 463.498 0.710 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(cnn4C)c3OCC)CCO2)C1 1836378385 WPARJDQYXZRNKZ-MZNJEOGPSA-N 485.541 0.475 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)cc1 1837318833 CKAQTJBTWNRZTE-HXUWFJFHSA-N 469.416 0.928 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1837440457 KBBNQYKWGYFECE-YBWSKRLUSA-N 472.542 0.755 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443454 BLGULSZZCKJUFJ-JRASGKOJSA-N 478.619 0.879 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1837493431 FHNBUJABNSPKDU-ATIYNZHBSA-N 470.566 0.745 30 20 JCED O=C(NCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1ccc[nH]1 1837524634 KVRLDZMTMTVIEM-TYSMQSSWSA-N 491.545 0.120 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837526383 UOGUXZCIXUGIHI-MFDGSOIASA-N 453.536 0.955 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1837526995 IANSBTUBSYHFRC-KKRXVXNVSA-N 450.467 0.820 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1837529754 XZUURWABCRTKNG-QTSCZPSSSA-N 463.434 0.082 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837531124 WUCRCUAUIAHBCA-IFXSCVBMSA-N 472.502 0.557 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnn2)CCO3)c(C#N)c1 1837876107 DFZJRRNHFWTPSL-HSZRJFAPSA-N 451.483 0.670 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)c1 1838582152 CZHQKFVMVIWJHG-DEOSSOPVSA-N 479.493 0.671 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598557 QEWGSUHYMUMQCK-NYHFZMIOSA-N 477.949 0.989 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838735956 BZKRAOYSUAIFPT-JOCHJYFZSA-N 453.455 0.452 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839050301 ZKJBPEBDXYTYSR-RUZDIDTESA-N 490.520 0.679 30 20 JCED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839132048 PFFMYSBKOIEFJS-QHCPKHFHSA-N 461.515 0.229 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)ccc1F 1839187839 ANYWNBATKVMENY-DEOSSOPVSA-N 472.517 0.709 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630188 JZOLULNTRRURAK-XMHVBLFMSA-N 455.519 0.500 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)CC4)C2)C1 1839808561 UZOHGSCBDWGOOV-XMMPIXPASA-N 487.557 0.380 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1839880441 QMVSCXIKYOVVNZ-LHSJRXKWSA-N 493.358 0.915 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840142837 ZSVWBYIJOUFHIW-VMZNWUKQSA-N 473.526 0.910 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2)C1 1840171103 OVMSXXWJAMBMPA-XNCKCSALSA-N 487.619 0.681 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1840292662 DFEPETHEWSRCQS-JOCHJYFZSA-N 463.556 0.749 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)c1 1840713112 FFVWJGDQAKWOBT-NSYGIPOTSA-N 492.536 0.637 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1840795558 OYFLLDQVQIXENJ-GAJHUEQPSA-N 479.530 0.390 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840797022 WBWIHAUYOXFWKZ-KOSHJBKYSA-N 493.557 0.568 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)ccc21 1840814082 NEJIXMINDPBMKM-XMMPIXPASA-N 467.526 0.641 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1840820916 QBLKLHKGOCTYBH-IWRZYZMASA-N 457.527 0.945 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1840844571 CIUITJNQCCSIBQ-UZUQRXQVSA-N 463.531 0.782 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3C)C2)C1 1840909077 MELYGXARNUSEBP-GAJHUEQPSA-N 475.546 0.705 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CC(N)=O)C1 1841659195 CWLYDVMCAHHWRD-HOTGVXAUSA-N 495.577 0.507 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1841747359 OOXWPCNWXFMHEJ-HUUCEWRRSA-N 454.524 0.724 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1844251589 JSZSEKPROXJARD-MRXNPFEDSA-N 487.509 0.825 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O)Cc1ccc(C#N)cc1 1847448679 XFKVEKYZSJNDSL-QYZOEREBSA-N 472.542 0.897 30 20 JCED N#Cc1ccccc1OCc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)o1 59363957 IMONBFUKZYHPQZ-UHFFFAOYSA-N 452.467 0.873 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nc(N)c(C#N)cc2C#N)CC1 505098034 IWPJTQMBBQPNHL-UHFFFAOYSA-N 467.536 0.904 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 515395467 RBKWYHXGFVZNQO-UHFFFAOYSA-N 465.576 0.501 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1C1CCN(C)CC1 517991242 YSAAMLAEIKRNMJ-UHFFFAOYSA-N 470.595 0.759 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1C1CCN(C)CC1 518712518 DFEJWYFNNRNKRQ-UHFFFAOYSA-N 484.578 0.943 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(OC)nc3)c2=O)c1 524275073 IYIMXUNMTKUMJW-UHFFFAOYSA-N 478.530 0.673 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CCNS(C)(=O)=O)c2=O)c1 589160322 GZYGTYYXBCZRDH-UHFFFAOYSA-N 483.571 0.854 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCCO2 590994692 OUFSIDMLEAOMGH-HNNXBMFYSA-N 478.530 0.719 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)nc1 608884265 WOCWZBBSCSLINI-CQSZACIVSA-N 451.508 0.352 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCNS(C)(=O)=O 608912892 IOROWAUNECRCOK-UHFFFAOYSA-N 466.560 0.017 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(I)cc2)C1=O 726042382 IDJVGAGFCFGKSW-UHFFFAOYSA-N 471.207 0.750 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 728536347 WUFZHIGTLCERDN-IAGOWNOFSA-N 497.017 0.645 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCS(C)(=O)=O 729675025 QRERHFJSFNYPAK-UHFFFAOYSA-N 478.552 0.138 30 20 JCED CCc1ccccc1NC(=O)CNC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 749016638 AENBGQDUKBLWOK-UHFFFAOYSA-N 458.496 0.697 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 769777088 JPLALDIPTKBDTL-OAHLLOKOSA-N 474.495 0.346 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(I)ccc1-n1cnnn1 889092334 AEHDAFNUIAVCOL-VIFPVBQESA-N 470.227 0.824 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCc2ccccc2)cc1 918270134 ISFQIDITYOYZEM-XHPQRKPJSA-N 471.539 0.871 30 20 JCED N#Cc1cccc(OCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 919415888 LPZKQBBSFURLDX-UHFFFAOYSA-N 468.491 0.885 30 20 JCED C[C@@](C#N)(NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C1CC1 919645568 BWWFSRHZACOFKM-VFNWGFHPSA-N 461.496 0.975 30 20 JCED C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCCS1(=O)=O 1286970617 PURGNVXWBIHMJS-CQSZACIVSA-N 451.578 0.901 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1315067166 PGALBVBMICALPF-INIZCTEOSA-N 476.538 0.116 30 20 JCED COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1315497150 IYFIWJVDPLEIDM-HNAYVOBHSA-N 465.511 0.505 30 20 JCED Cc1nn(CCC#N)c(C)c1CCC(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1317938354 ZQQFPGJROJRPMP-SFHVURJKSA-N 465.576 0.221 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)cc1 1442598549 NZZLDSBVUFQWJU-UHFFFAOYSA-N 455.540 0.692 30 20 JCED COCCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 1459894156 OLXOEIHWJDFGQQ-PMACEKPBSA-N 452.552 0.670 30 20 JCED CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1501208279 WFCDMHHHXZLJNM-SFHVURJKSA-N 475.575 0.645 30 20 JCED CO[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CCOC1 1504055632 OTARVESRJWAZGD-PXNSSMCTSA-N 468.580 0.547 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1510178333 UINVHHCEAKZFAX-WMZOPIPTSA-N 480.639 0.571 30 20 JCED CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1617395767 NYJMNFZQEBKGTP-QGZVFWFLSA-N 466.589 0.628 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1712108764 RRXZVEHIAOASAT-UHFFFAOYSA-N 460.560 0.983 30 20 JCED CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)S(C)(=O)=O 1728494978 RTLBVPKGSJEJNC-SFHVURJKSA-N 475.575 0.440 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1743383549 LPKWOLKSERXQNC-SBUREZEXSA-N 453.547 0.567 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1748299977 REPIQGFTQHWTIN-RCCFBDPRSA-N 465.624 0.922 30 20 JCED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H](C)O1 1749579134 WDZRQQZDJMSIJH-CRAIPNDOSA-N 464.548 0.518 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1749807232 YCYBIPHWPFTYRN-GOSISDBHSA-N 460.560 0.793 30 20 JCED CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1765284655 SLBBSUFXBIWSSX-QGZVFWFLSA-N 480.616 0.969 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)n4[nH]nnc4n3)C2)c1 1777821467 JFNOQAXJLQQOEL-VGOFRKELSA-N 462.470 0.126 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779396127 OYRYHQHOXGTZKL-WOIUINJBSA-N 483.631 0.527 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1781268034 GOXUBXJOSICFBD-QFIPXVFZSA-N 479.555 0.579 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781424261 JGSVEFHQRLAECM-HTAPYJJXSA-N 462.551 0.968 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783769197 OADMXJVJRVJHLA-FHAGJXEFSA-N 493.649 0.922 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1)C(C)(C)S 1783778811 YJCMCZORPGRAEA-IERDGZPVSA-N 482.607 0.710 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)n4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089403 DUARTJUEKRIMMF-HJPURHCSSA-N 489.529 0.897 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)cc1C#N 1785196233 QBBUHDGCZNZVHD-OAQYLSRUSA-N 480.458 0.514 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1785572979 UNIVUKPROSIQPO-WAIKUNEKSA-N 475.546 0.341 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1)NC(=O)OC(C)(C)C 1786699477 SKVOSOCABYDMDE-NXOAAHMSSA-N 478.546 0.726 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)n1 1788678944 WPRYBTUTIYSKMT-RNYKKDJYSA-N 469.542 0.979 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)n4ccnn4)[C@H]3C2)c(C#N)c1 1790641465 BGCABVLAEPQURF-GWKIZSTFSA-N 452.515 0.942 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791266088 ZZEIOGCYBFVNDE-YXMSTPNBSA-N 473.592 0.741 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)C#N)c2n1 1792636038 CEZZPSGZZOZAIM-MIFYACCESA-N 498.544 0.266 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=CCN(C(=O)OC(C)(C)C)C1 1793225619 KCOLPPXRSXMEMS-DAAUIIPJSA-N 474.558 0.612 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncn1-c1ccc(Cl)cc1F 1796507661 BNNURSORCLENCP-NXCRSVRDSA-N 460.849 0.956 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797968169 MBTGHUJUZYRYNE-YHDCXSKOSA-N 496.605 0.587 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)c(C#N)c1 1799237197 BEVCGZMPXXNHRF-FAQVEIGNSA-N 452.467 0.819 30 20 JCED Cn1nc2c(c1C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)CC#N)C3)CN(C(=O)OC(C)(C)C)C2 1800127200 NMVBAEWXOGHSJK-ZSBFGKGUSA-N 458.519 0.788 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C(=O)OC)cc1 1801142535 UXYKYAIPCLBEMR-YTRCMYEKSA-N 455.511 0.464 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1802026806 KIGMAMFZLPGAFR-BEWOVKMTSA-N 476.574 0.853 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1803900043 BIRYALVPYQTATN-CADBVGFASA-N 460.579 0.843 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1810278351 DYWCEKVDFBWMLR-VWBJQTSHSA-N 455.519 0.111 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1810393394 TVZAGJFZDRKCDF-NDLNQOIOSA-N 463.431 0.524 30 20 JCED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1811894410 WQVVLVRWRNQGHY-FYYLOGMGSA-N 451.527 0.559 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)sc2C1 1816977180 ZPJYHKPRWIPUEU-DQOKEGCPSA-N 493.586 0.799 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=N/O[C@H]4CCCCO4)sc3C2)CC1 1819902242 MZAUJSNXUDIGAR-XQWFKHRNSA-N 492.602 0.748 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CN(CCO)CCO)[nH]n3)c2c1 1821383021 LUUKJNWXWDFCHN-IBGZPJMESA-N 480.529 0.750 30 20 JCED O=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCN3C(=O)OCc3ccccc3)C2)CN1 1828575500 LPXBZNTXHGFZSL-RLWLMLJZSA-N 478.549 0.988 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCN2C(=O)OCc1ccccc1 1828599748 JYEKCFJLMIYKSC-XMMPIXPASA-N 493.476 0.336 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1829348522 YMKGOYCFWFFHAD-DEOSSOPVSA-N 479.541 0.929 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCn1cncn1)CCN2C(=O)OCc1ccccc1 1829387351 MSRJDJWCHXWSJO-HSZRJFAPSA-N 450.499 0.754 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)cc1 1829902067 GZUHENLNSHRJIL-XMMPIXPASA-N 450.495 0.419 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1C 1830952825 DGLATWSBFJVZSU-QOZQDQEPSA-N 463.535 0.256 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221480 NNGJRFBBZMXFIS-QTLGCAHFSA-N 491.585 0.617 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1832446564 BTOCAODQUSWTET-FDDCHVKYSA-N 497.614 0.941 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)c3ccccc3C1=O)CCO2 1832535340 YEGXXMFILIJUNT-QHCPKHFHSA-N 454.483 0.433 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832729860 OINDJDADQMXDDJ-VGOFRKELSA-N 461.519 0.069 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2)c1cccs1 1832797383 DSSYIJXMFYKNRL-SHTLVRLNSA-N 489.510 0.748 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)Cn5cc([N+](=O)[O-])cn5)CCO4)C3)c2c1 1832800048 FTWXSFGDCSQCGM-QFIPXVFZSA-N 494.468 0.309 30 20 JCED Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1833231270 TZBBKQWCJYUSBX-IBGZPJMESA-N 479.419 0.484 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnnn1C)CCO2)NC(=O)OC(C)(C)C 1833239010 MCOAUJHCJZTJJR-SBUREZEXSA-N 492.577 0.745 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c(=O)[nH]c1C 1833387704 BQNINQOMPIYPGM-CSOJOJLQSA-N 457.487 0.169 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833614235 AZSPZKOHWCGIFT-QHCPKHFHSA-N 476.599 0.907 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c(O)n1 1833699634 GYLBILIBLMODEQ-HSZRJFAPSA-N 470.530 0.658 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)CCNC5=O)CCO3)C2)c1Cl 1834563245 CSNDSRCUQKBJBB-QHCPKHFHSA-N 498.927 0.535 30 20 JCED COc1ccc(C(=O)CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1834863263 VVFKCCVZHYTBTN-QHCPKHFHSA-N 458.467 0.203 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835768198 QTOPPILKMJFLPP-FAZIFYBASA-N 463.579 0.708 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836066666 XQHGIXOLDMXNSM-NTKDMRAZSA-N 489.573 0.336 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836350346 BBFOZIZKIOBRLQ-ZHRRBRCNSA-N 478.550 0.734 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837382337 XJXGAOGJPLAWDJ-SBUREZEXSA-N 457.531 0.530 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1837400431 FJEFBHBEFVHVMZ-UZUQRXQVSA-N 469.579 0.929 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1837405236 KKINTTDPJRWGSO-CJFMBICVSA-N 473.570 0.754 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440179 DOUUQYIWQNHFMS-VCOZGABYSA-N 451.568 0.221 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527029 INDUHRWFHWAGHS-VTGGFKIQSA-N 475.546 0.867 30 20 JCED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1C 1837531626 RICRGQBRJSLIJN-PTJKWTKHSA-N 463.535 0.582 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1837564570 XYYUMOQAUGULBD-BMUJQWSWSA-N 461.393 0.260 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838595572 WJJANVGJYYWUTK-HXUWFJFHSA-N 469.947 0.716 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)c1 1838907919 WEZQNANGSYECEV-DEOSSOPVSA-N 495.561 0.533 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(OC)OC)C2)C1 1839130832 WOYXKPQTBYXBKG-UUOWRZLLSA-N 497.589 0.759 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1 1839174866 BCOKXOBHENFTJR-VGOFRKELSA-N 453.536 0.257 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)ccc1F 1839185488 CWENIJQQYJVRJG-HXOBKFHXSA-N 458.490 0.222 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c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c3ccccc3C#N)CCO2)C1)C(C)(C)C 1840818727 UNIADMXQWSBVGI-DHLKQENFSA-N 486.569 0.944 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840820197 DHYWYBVBUXIDLK-HZUJZGFBSA-N 456.499 0.433 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840904929 WAYDXFLXVNHKHS-CJFMBICVSA-N 473.570 0.754 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1845199795 VZZUWLAFDSIBTP-CVEARBPZSA-N 451.568 0.642 30 20 JCED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1847292586 YXQPEZCAYXJRTH-GBESFXJTSA-N 460.575 0.922 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)CC1 498112547 BAPAKZUGQWBHTR-UHFFFAOYSA-N 497.455 0.371 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CC2CCCCC2)CC1 503978126 ARXUITVYUPSFNU-UHFFFAOYSA-N 468.627 0.891 30 20 JCED C[C@H]1Oc2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2NC1=O 517109675 FACFDKLJTNNBBL-CQSZACIVSA-N 483.506 0.749 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 523745126 RDTZUCLDMOYJDL-UHFFFAOYSA-N 455.536 0.843 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccs1 524336248 KMGKVFLLJAKNFB-CQSZACIVSA-N 457.581 0.602 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 553157953 GLJJYHCLAAJPLU-LJQANCHMSA-N 450.561 0.832 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-c3ccccc3)o2)c1=O 608912619 RDZIBOOSXUMQEQ-UHFFFAOYSA-N 498.586 0.501 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCNS(C)(=O)=O 608912703 VGHJIEUUCGZJSU-UHFFFAOYSA-N 490.607 0.051 30 20 JCED C=CCNC(=O)[C@@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 729627386 JFCYVLIBSUOOQI-OAHLLOKOSA-N 464.544 0.761 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCS(C)(=O)=O 729671003 FPJQQYUQZCMBQS-UHFFFAOYSA-N 499.561 0.831 30 20 JCED Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)n1 769168536 BLWMULWLSQPUEP-UHFFFAOYSA-N 483.510 0.919 30 20 JCED CCn1c(=O)c2ccccc2n2c(COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)nnc12 800765432 ZXIOBUVPRWMXPO-UHFFFAOYSA-N 466.479 0.957 30 20 JCED N#Cc1ccc(S(=O)(=O)NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(C(F)(F)F)c1 918536475 RQXGFTHCQJTOOC-NSHDSACASA-N 492.457 0.547 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(F)c(S(=O)(=O)N(C)C)c3)CC2)o1 919445165 RFXIBWHWFDVFNH-UHFFFAOYSA-N 479.490 0.750 30 20 JCED C=CCn1c(C2CC2)nn(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1=S 921044558 DGPCLQZZWBUWNO-OAHLLOKOSA-N 461.635 0.569 30 20 JCED N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1293903528 ZCVPJGHDOHNLEH-CQSZACIVSA-N 451.321 0.749 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1301767762 YCBLJRINYWUHAM-UHFFFAOYSA-N 486.602 0.062 30 20 JCED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1=O 1301859285 BCTMJESYVZMHRP-WMZOPIPTSA-N 451.531 0.979 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1COCCO1 1303854447 UMRKHXHKOHQWOT-PKOBYXMFSA-N 489.602 0.892 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507784516 IYEPQQRUGQMIAQ-KGLIPLIRSA-N 491.412 0.482 30 20 JCED CSC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519685255 UWQXFKDCKHFZOS-IRXDYDNUSA-N 483.664 0.929 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539804139 ROWPVDPGEUSELP-KGLIPLIRSA-N 452.002 0.698 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C 1693773578 KTJNLDSBPCNPLA-DOTOQJQBSA-N 457.560 0.765 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1709186763 YXGDOGYUDHDZMF-GOSISDBHSA-N 489.627 0.910 30 20 JCED CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1727110727 PFJPNOZGWHODNX-CLOONOSVSA-N 497.600 0.917 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1747619873 ZVOSMHZIUWALLF-MRXNPFEDSA-N 452.562 0.331 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(=O)N(C)C 1751232733 VEQVPTYECMWHSW-INIZCTEOSA-N 474.591 0.565 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1)NC(=O)OC(C)(C)C 1778003475 KWWWPNFFBLATDV-VOLVWJTLSA-N 467.611 0.646 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4[nH]nc(Br)c4c3)C2)C1 1778727620 ANBDTAJIBMEFPQ-LJQANCHMSA-N 461.272 0.857 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1778950878 NMMOWIIYFMGAKH-QQMNAOGKSA-N 481.594 0.993 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1779068521 CGLZEDSIFBNQHG-NRFANRHFSA-N 465.597 0.375 30 20 JCED O=C(/C=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2)NCc1ccco1 1779207391 INLVFHPKLLLUQS-PFSQMVLRSA-N 454.483 0.994 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn3[nH]cnc(=O)c3c2C)C1 1780018415 ZBEPTWMYEZDNQC-PRCFCKQXSA-N 455.515 0.497 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1781799494 WPYRCMOIWWEXCH-FZKQIMNGSA-N 451.434 0.152 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017431 KMLJKBPHJPSJEV-YGKZAACZSA-N 461.515 0.505 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783899944 INMBWHHNRSBHIJ-PDSXEYIOSA-N 487.623 0.476 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CCNC(=S)NC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784092958 GOTQYJCRCDAHSN-GAJHUEQPSA-N 495.646 0.866 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCNC5=O)[C@H]3C2)c1 1786258270 NLHSRVGHBFYHBU-IPJJNNNSSA-N 476.537 0.724 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859373 DBYRDLWFOQFRDI-FHWLQOOXSA-N 495.621 0.789 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)C1 1788094476 KJAUWYKVXRKTKN-VMXHOPILSA-N 476.574 0.888 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1788572349 BIDNXYYZFJSHDX-ATIWLJMLSA-N 469.579 0.425 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](NC(C)=O)c3ccc(F)cc3)[C@H]2C1 1789697597 TZIZVJLAJZGKPJ-XVNMDNOCSA-N 486.544 0.841 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c4c(nn3C)CCN(C(=O)OC(C)(C)C)C4)[C@H]2C1 1790510818 XAPNKCYVWPPMTG-BXWFABGCSA-N 471.558 0.940 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cncn3)[C@H]2C1 1791618810 KXTZSRVEHPCCCQ-BCYZHJNNSA-N 474.562 0.735 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)c(F)c3)[C@H]2C1 1792072562 JQFMLCJKMYRMDU-SAWCTPMISA-N 493.557 0.681 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C2 1792489734 NJLXCFZQYVDUQV-WDGJILITSA-N 464.563 0.690 30 20 JCED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)C(=O)c1ccccc1 1793231073 HXAVPVMHJCHWKA-OWUIPSQVSA-N 472.542 0.877 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1793310137 OEOAWBGMKGNNDF-REGYPHIPSA-N 467.975 0.609 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cnc(OCF)cn1 1794411017 CVYSVDPFJJFESB-PSDAYKBGSA-N 451.455 0.515 30 20 JCED CC(C)n1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cc1C(=O)O 1794435322 OCWXXNSFNPYLNM-ZUSSLCPFSA-N 477.518 0.894 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](COC(C)=O)OC(C)=O)c(C#N)c1 1797789976 KHHOUGNYRZXPHO-QRICJDHISA-N 487.509 0.194 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cc(C)on2)c(C#N)c1 1797829528 UECLZDVOPXSVHU-FEJSZKPUSA-N 481.509 0.425 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)c1 1798573784 NMAYFGZVQCZGOP-FAQVEIGNSA-N 452.467 0.085 30 20 JCED O=C(Cc1cn2c(nc1=O)SCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1799072253 JNQLLMCZGQXJRZ-HATOLVCRSA-N 464.547 0.533 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2 1799156099 AZAYTVWKHDSSIU-GVJYWCCQSA-N 477.558 0.393 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1799365998 ZVMAMPPCKUGGHT-QLCXLMDBSA-N 455.552 0.443 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c1 1799799774 XIICKJDTHXJDOH-CEQLMSFQSA-N 460.556 0.496 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)OCC(F)(F)C1 1799923768 GYGSYUJDDWALQE-QKPAOTATSA-N 485.484 0.984 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1800537104 WCRIPZYZIFGEII-WMOINSDVSA-N 464.563 0.570 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1801052578 SXYVSTLZMJZKEW-CLMWXKPWSA-N 473.530 0.461 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801071300 BWHUDTRHUGONPD-YJDCLEDVSA-N 476.574 0.572 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CC(=O)NC2=O)C3)cc1C#N 1801846670 OVTJAAGADJPXRT-UPHUGPLXSA-N 469.498 0.100 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2 1801992142 PYKCCNPGIJUHOJ-WPVAHCMFSA-N 469.494 0.485 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)cco1)C2 1802125166 SFWKRGXKVQXUTR-HIRMHNASSA-N 459.499 0.760 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)COc2cccnn2)[C@H]1c1cccnc1 1802499924 WVIFUFLDKYYWFZ-VQLQEPDVSA-N 450.499 0.815 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]3c3cccnc3)c2c1 1807048275 BFOHUVYCAOSMRM-ZJBJCVSYSA-N 474.525 0.742 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)COc2cccnn2)[C@H]1c1cccnc1 1813385638 SOOYDICQBWCNHS-PWPXAWQVSA-N 450.499 0.815 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1814039698 GHERQIODNVBUHU-WSTZPKSXSA-N 469.542 0.931 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)[nH]n1 1814439073 YUQGNDPNHAPLHO-GNBGVQPESA-N 475.502 0.755 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819451115 LBXIXGXEHVAEMA-DHYFKMJHSA-N 461.479 0.483 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1823518463 VIGXCUSZUKXXJJ-YQQAZPJKSA-N 489.577 0.911 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)C1 1830055977 JIIRJMMJQOJNPB-DEOSSOPVSA-N 497.556 0.186 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2)C1 1831325401 XWSMYUNWAAWPEC-DBXWQHBBSA-N 457.593 0.539 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1831396736 QIKWKBZDJFCLNG-YCRPNKLZSA-N 461.906 0.491 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1831397611 TXMHWMAFPRBSTH-HXOBKFHXSA-N 459.499 0.367 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(NC(C)=O)c3ccccc3F)C2)C1 1831398949 NFPJBPFLRHEXEE-PISWEHOVSA-N 489.544 0.672 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 1831399535 WGDSAPJOTBLGGS-UZUQRXQVSA-N 475.498 0.641 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(NC(=O)OC(C)(C)C)(C3)C4)C2)C1 1831401370 AYAYDXQVPPHSKL-NUIDASMPSA-N 491.585 0.929 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1831951226 ISCCBIDCANUPPT-REWVYZQPSA-N 462.503 0.689 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)c1 1832251652 VMGBXXGTXIAQHT-SFHVURJKSA-N 473.379 0.983 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)CCO2 1832541941 APPNEUCAOCPGFO-RUZDIDTESA-N 467.522 0.933 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)c(=O)[nH]c1C 1833391331 UDKJMXLHIZTUNR-DEOSSOPVSA-N 481.509 0.407 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)nc1 1833599811 SNTCLNCQLSLWPT-QHCPKHFHSA-N 484.534 0.741 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1833864897 UJRMFYOHIXLQIE-JOCHJYFZSA-N 457.462 0.823 30 20 JCED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1)C(=O)O 1835766520 PLGDVZDIIMGSCZ-DVECYGJZSA-N 488.541 0.478 30 20 JCED CN1CCN(C2(C(=O)NC3CCN(C4CCN(C(=O)/C=N/N5CCCCC5)CC4)CC3)CC2)CC1 1836377214 WCMJCVULPYRQGT-SZXQPVLSSA-N 487.693 0.810 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3Cc4ccccc4O3)CCO2)C1 1836647649 NTBDZVFSVYRUPR-YKSBVNFPSA-N 456.543 0.728 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2)c1ccc(O)cc1 1836676331 IBJZCBNUNADFEW-WNCULLNHSA-N 498.624 0.593 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1837393159 LXJPAZDEXRYZHM-OPAMFIHVSA-N 450.536 0.765 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1837533289 NPTLYAKADQJTDP-CDMLJFNGSA-N 475.546 0.500 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)cn1)CCO2 1837826255 HKQQETNSVMDCTC-RMUOZIPVSA-N 493.358 0.773 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)c1 1838582511 PQWYFMIFPQSRKS-XMMPIXPASA-N 476.493 0.993 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nc1 1838731966 DLGXYAJULXTBNX-NRFANRHFSA-N 473.511 0.069 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccccc4C(=O)OCCO)C3)C2)c1 1838738129 SDJRYMLHGZQRNS-XMMPIXPASA-N 482.493 0.419 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)cc2C1 1838740484 NHDWEQBPZJXFGE-HSZRJFAPSA-N 467.530 0.302 30 20 JCED CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839138085 GPVGFMXZVGSEFP-XKDCRVNJSA-N 481.546 0.470 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1839173313 JMRRTULMFGZMGS-QFIPXVFZSA-N 454.520 0.684 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187664 PSFJMVVILXAKGI-WAIKUNEKSA-N 458.490 0.387 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363237 PNLARNFTXCZTST-HXOBKFHXSA-N 457.531 0.530 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1839387808 WDPKUYLAYNMUDD-FDDCHVKYSA-N 474.514 0.471 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4ncccc34)CCO2)C1 1839541502 CTIVFGHODFOZRE-XMMPIXPASA-N 466.542 0.982 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccc(F)c34)CCO2)C1 1839619030 OVLZUCFPIPZROK-HSZRJFAPSA-N 472.521 0.825 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)cc2C1 1839621931 BCANOJKHOWTNBX-ZHIQAQTNSA-N 484.557 0.501 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1839688698 LQDBBVHPIOJCFM-PRPIBZDOSA-N 453.442 0.686 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3F)CCO2)C1 1839968756 CTGDIHDRFWMRHY-HSZRJFAPSA-N 462.522 0.943 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13CCO[C@@H]1CCN(C(=O)OC(C)(C)C)C3)CCO2 1840011211 RUEIKSARZZTANA-PUZWTLIVSA-N 477.558 0.492 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Br)ncc3Cl)C2)C1 1840041234 ZBKFBRWIHXUZDW-SFHVURJKSA-N 486.706 0.656 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)C1 1840042190 GJBKZFABFPFOGU-QHCPKHFHSA-N 452.467 0.089 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042612 FCNVLKDSDLCKOE-KOSHJBKYSA-N 493.557 0.711 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840291357 NXRUQWOIEPOGGZ-FDDCHVKYSA-N 467.563 0.522 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)CCO2)C1 1840907432 VCLOTKSNIHYBAX-YDIMBITNSA-N 477.558 0.398 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)C[C@H]3NC(=O)NC3=O)C2)N(C(=O)OC(C)(C)C)C1 1841962945 PAXVDVOAXAJLOV-CABCVRRESA-N 461.519 0.354 30 20 JCED CC(C)(C)OC(=O)N1CCc2c(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)ncn2CC1 1846195723 WOJPNHQHOVRVDB-UHFFFAOYSA-N 471.514 0.581 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 16537146 LDZAEHPGXQPTBA-UHFFFAOYSA-N 480.499 0.324 30 20 JCED Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cnn1-c1ccc(O)nn1 26879638 IFPOUPSBAWYYHA-UHFFFAOYSA-N 453.484 0.695 30 20 JCED COc1ccc(CCn2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccnn3C)c2=O)cc1 502017663 NYGOAOOWYNFNQH-UHFFFAOYSA-N 451.552 0.922 30 20 JCED CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CC#N 504655282 QMFSGDRXWSXSTQ-KRWDZBQOSA-N 454.574 0.541 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CCN(C)CC1 517983517 JMPVPKIRWGRKDS-OAHLLOKOSA-N 485.566 0.739 30 20 JCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CC(N)=O 589159853 WCNLPVQEHFKHHA-UHFFFAOYSA-N 473.551 0.929 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CCNS(C)(=O)=O 589160645 KIHPIYSEFCAFPP-UHFFFAOYSA-N 498.424 0.950 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(OC)c3OC)c(=O)n2C2CC2)CC1 590998613 DIWJFTWLNVEFHR-UHFFFAOYSA-N 498.605 0.938 30 20 JCED CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c2ccccc2O1 604141498 HGGVTQSCDVUAOS-NRFANRHFSA-N 487.520 0.915 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1cccnc1 609038737 KVNWDVHTCIZZJT-UHFFFAOYSA-N 494.598 0.756 30 20 JCED N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 609432726 MNELNZCGASQMMX-UHFFFAOYSA-N 462.532 0.021 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(F)c1 726583755 HMXBQKMUXNFKBV-CYBMUJFWSA-N 471.514 0.434 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CC1 728534623 QGPYQVXMXLEBTH-UHFFFAOYSA-N 460.581 0.734 30 20 JCED CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)c1 729673125 TXVUGJNFXWRUDD-UHFFFAOYSA-N 475.592 0.523 30 20 JCED CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 744919719 IBOSLEHEZTUIAQ-RBNDABMNSA-N 451.549 0.857 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc(C(=O)OC)cc3)C[C@@H]2C)c1=O 749889624 HBWFLQYCXDDDAR-KRWDZBQOSA-N 455.515 0.499 30 20 JCED CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 753148499 OFLITLRQQNMQMP-UHFFFAOYSA-N 479.536 0.354 30 20 JCED CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)N1CCOCC1 918253649 XGIUGWPWYXIQLE-XZSXMJNUSA-N 479.603 0.911 30 20 JCED N#Cc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC2=O)cc1 1115909543 UCMSJSDXFGEQMN-IBGZPJMESA-N 482.566 0.574 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CCO1 1359447353 UNDFIZXRXMXIBF-UTKZUKDTSA-N 453.547 0.879 30 20 JCED COC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503904217 TVWROJYUOWUEGN-HNNXBMFYSA-N 462.580 0.907 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1513400694 MNRDWTMNFYQEHG-QGZVFWFLSA-N 463.608 0.950 30 20 JCED CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1)S(C)(=O)=O 1554125047 QTPRVOBCZVKOBR-OAQYLSRUSA-N 460.560 0.828 30 20 JCED CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1616886646 KHDOZQTTXXAYNT-HSZRJFAPSA-N 488.614 0.948 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CC1 1619552182 VUCMJGIPOHLPPB-UHFFFAOYSA-N 469.546 0.938 30 20 JCED C[C@H](CN1CCCCC1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1692737252 ROUIZYOYWADXCP-CEXWTWQISA-N 481.623 0.462 30 20 JCED C[C@@H]1OCC[C@@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCNS(C)(=O)=O)CCO2 1708280775 XNZBZMSGJQXEGR-HRAATJIYSA-N 476.559 0.662 30 20 JCED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1=O 1712468982 KLHUGWMPMLMBKG-SFHVURJKSA-N 487.586 0.393 30 20 JCED C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCS1(=O)=O 1722863749 UUBMICOGRLNMOT-OAHLLOKOSA-N 466.589 0.980 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740739699 YCLPKSABAHQQKE-TZMCWYRMSA-N 458.386 0.973 30 20 JCED Cc1ncc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)s1 1742621332 CCZVQCHHABAXPK-PBHICJAKSA-N 455.541 0.866 30 20 JCED CC[C@H](C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1743853224 ISUZFWSDAQIISG-BQFCYCMXSA-N 452.629 0.795 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1747544845 OKUBYRLUETWQTQ-QFIPXVFZSA-N 455.588 0.895 30 20 JCED CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)NC)c2ccccc2c1=O 1765578689 IGNVCOPZCAOVCO-AWEZNQCLSA-N 458.548 0.820 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCN1S(C)(=O)=O 1770672761 QXLYJPPJMJZKGV-AWEZNQCLSA-N 497.528 0.580 30 20 JCED O=C(NCCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccc[nH]1 1779099447 HJQKONODZOTNPN-IORORUSLSA-N 461.519 0.494 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779397805 ZYVHMKDHIRZFCV-TXTKFYIRSA-N 463.575 0.350 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)csc2n(C)c1=O 1780924455 NGYMRIRGITVXML-QHCPKHFHSA-N 470.551 0.085 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])CCO2 1781269190 CZBMGOVUNAKAIK-OAQYLSRUSA-N 462.459 0.951 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1781799227 HUXRTODIQGQDGT-AUUYWEPGSA-N 450.446 0.757 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1783478703 PFBUHVMKYXDMPP-SOMFZHDCSA-N 471.620 0.902 30 20 JCED CSCC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783562742 QRHSRZDXAQYIBH-OPAMFIHVSA-N 483.587 0.941 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1783892600 BDHGXYJCNDBOID-YCRPNKLZSA-N 460.560 0.328 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c(C(F)(F)F)n1 1784036309 WEXGKSXTIWAVFF-ZUOKHONESA-N 465.432 0.942 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)Cc4ccccc4C3=O)[C@H]2C1 1784163074 FANHXXFMWAAVOL-UDDWMFPDSA-N 481.549 0.620 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784197025 BBNZYWOZWVPSPH-OKYOBFRVSA-N 497.589 0.751 30 20 JCED COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1784513430 BPDGSMABOREQQB-LNLFQRSKSA-N 461.540 0.823 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ncn3)[C@H]2C1 1784668131 AYAZYYFMHSXMTE-CUSZFKRNSA-N 473.530 0.692 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1784786450 OPAITMLZPGZGTC-QAETUUGQSA-N 452.552 0.572 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)NC(=O)OC(C)(C)C 1785306172 JPNPVKWPKYKXRI-SEPYTNNBSA-N 482.578 0.739 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)CCO2 1785427919 JXSQOKQHXWSHPW-WXVUKLJWSA-N 476.574 0.601 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1787506088 DWJIYCFLKDBIKR-UFYCRDLUSA-N 481.615 0.090 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1787512615 PETJZLVQLOPLQB-MEQXWADUSA-N 458.496 0.982 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C5(C#N)CC5)C[C@@H]43)c2C1 1788252002 XQSHEYIVHHXIFP-BQFCYCMXSA-N 499.572 0.926 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(F)cn4n3)C[C@@H]21 1788661072 XBTXTHRDVZRSHK-SQTLORCTSA-N 474.493 0.991 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(N)=O)C[C@@H]32)CC1 1789839947 VMOQBSFUGZPWGO-BZSNNMDCSA-N 491.589 0.772 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCN(CC)CC3)cc1)C2 1792491262 DYGDVBMCIZKHSV-BRHBGCGPSA-N 495.624 0.890 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(C)=O 1792530895 BGUXMBRVXNEUBX-MTHXSQLBSA-N 466.579 0.960 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 1792901264 HFUPCBQGWOYCCH-WFSWCDRWSA-N 498.555 0.878 30 20 JCED Cn1ncc(I)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795408597 KGLGKFHVSJMMHG-PTEHBNRSSA-N 469.283 0.532 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1797119312 CCHUEEVTGICYRU-BOQPXBONSA-N 479.574 0.232 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797835820 LAHXTLZHXGQSOW-GDQZUHIUSA-N 478.546 0.564 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccc(-n2cccn2)nc1 1798213000 OLPCEEJAYBOOPL-ACGBBXNNSA-N 468.514 1.000 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)c1nn[nH]c1C(F)(F)F 1798709440 NEBHALLJTWSEKY-KVSKUHBBSA-N 477.293 0.382 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C2 1800454996 YCMCIXBPJBFIQX-YYAJDYIMSA-N 465.547 0.834 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3c(Br)cccc3n1)C2 1800777419 SIKORBCTEQQSKK-KSPBDQMDSA-N 461.272 0.388 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1800806259 GZNWQGOHBCECRY-UWVPOSKDSA-N 481.590 0.519 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1800981944 TWPWXKVIWYWOCI-NYXISSTPSA-N 457.593 0.512 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)C2 1802020982 MVNWGEZNIPSSQI-RUMRUAAYSA-N 458.603 0.712 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccccc1=O)C2 1802125758 RFXNDEAACYLSAW-XLIFZOOWSA-N 486.569 0.916 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc[n+]([O-])c1)C2 1802138619 MSYTVADZTKACCC-HUIKVJECSA-N 472.542 0.993 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)ccc21 1809268890 UTSWLQQHMNYDIF-VGOFRKELSA-N 461.478 0.680 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)CC1 1812881929 GDEHIXGCBRPREP-AUSIDOKSSA-N 499.568 0.728 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1814207722 KBHRRWKKOUFWEM-ZJOUEHCJSA-N 497.600 0.844 30 20 JCED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1819467710 BEFUVIYHTDQFKC-BBOZKOTMSA-N 452.537 0.591 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4CNC(=O)O4)CCN3C(=O)OCc3ccccc3)C2)CC1 1828589466 JXBZERWHRIDGPM-MHECFPHRSA-N 481.509 0.851 30 20 JCED Cc1ncc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)[nH]1 1828609649 CJXHHTIUZGRBJV-DEOSSOPVSA-N 479.493 0.872 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)COCCOCCOCCOC)C3)C2)C1 1829672977 BCKUKHMMWAPLPO-HSZRJFAPSA-N 470.563 0.105 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1829766054 IGENEWNOAZXABG-WEHRJKGCSA-N 465.510 0.558 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n1 1829904821 XKGWMKIPWLLSAY-SANMLTNESA-N 493.564 0.858 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4c(O)cc(O)cc4O)C3)C2)cc1 1829905504 BREKSVNAUGORGN-DEOSSOPVSA-N 467.478 0.988 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1830053054 FKJYPHRTEDXBKN-QHCPKHFHSA-N 456.499 0.991 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1830429269 ZXDWLFQXRISLFN-SANMLTNESA-N 496.564 0.917 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)CC1 1830460484 OMLZMOHCOSSOEQ-RUZDIDTESA-N 469.586 0.195 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])c(O)cc3C)C2)C1 1831398765 KISBPWSPPRGGNY-KSFYIVLOSA-N 461.471 0.717 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1831485242 SGHYDSNXIIEJBA-FXAWDEMLSA-N 455.602 0.889 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831999841 DHUMYCALMDETJY-OPAMFIHVSA-N 465.503 0.000 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CC2)CC1 1833350512 YKGFCBJKMRGZKP-RXVVDRJESA-N 494.633 0.872 30 20 JCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1833429043 XVYUEVPOAOIOSK-UHFFFAOYSA-N 469.611 0.877 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1833448891 OJNQHOATESQBLP-IRXDYDNUSA-N 458.625 0.477 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833843935 IBPZMEFRLMSHLS-SBUREZEXSA-N 492.577 0.745 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3CC)CCO2)C1 1834419133 YXYJLNQKINPBNO-MHECFPHRSA-N 489.573 0.890 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1 1835045515 JAPYFQVGBLVOET-SFHVURJKSA-N 451.568 0.747 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(N5CCOCC5)n4)C3)C2)CC1 1835341800 ILPAEKGZXBQKFN-QHCPKHFHSA-N 455.515 0.292 30 20 JCED CCOc1c(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cnc2c1cnn2C 1835354514 MSFHJOBQDHXEDF-QFIPXVFZSA-N 456.503 0.741 30 20 JCED N=C(N)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C2)C1 1835575762 WQEOJMXQOVIKQQ-SANMLTNESA-N 475.549 0.639 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1835677766 WXCCGWLCSXHQGW-DEOSSOPVSA-N 493.605 0.592 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1)c1ccccc1 1835761637 QWTLFCJGPYGYOQ-BKSPAHHJSA-N 471.554 0.703 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835923848 IFMWLJMPGCIHAM-JOCHJYFZSA-N 458.519 0.480 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccnc1)CCO2 1836180483 MDQQWKGZOQBFAU-FLFXYHILSA-N 460.531 1.000 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347103 AXMCVSSKKCMVMY-VFNWGFHPSA-N 464.523 0.344 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1836993224 PPLOIXXSKKBSIB-GOSISDBHSA-N 480.610 0.937 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837138308 YCFMYRMUKOOJLO-BXKMTCNYSA-N 471.510 0.465 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1837401142 VFJJVOKCAXVZJT-XFAGBWLFSA-N 499.605 0.292 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837443755 IPBFZLVQTQTBQJ-RZZUAFPKSA-N 474.562 0.467 30 20 JCED C[C@H](Nc1nccs1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443888 SXKKYWJZCHBKJF-AVIJCEJMSA-N 464.592 0.872 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)no1 1837490866 DEMHWMQXMQGLHA-DEOSSOPVSA-N 488.541 0.467 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)ncc1[N+](=O)[O-] 1837528302 FJZGPBVDBORNQR-PHBSZKRHSA-N 491.501 0.897 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837728069 SENQRCLTWYWZPJ-QPPBQGQZSA-N 472.542 0.098 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)c(C#N)c1 1839131360 CPBIFHOQYJWOPD-QHCPKHFHSA-N 467.482 0.375 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn(C)nc4OC)C3)C2)c(C#N)c1 1839131531 JQQCTYXWRDTDDW-DEOSSOPVSA-N 483.525 0.622 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1839173416 OULVZJADRWQBTQ-HSZRJFAPSA-N 462.499 0.737 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1839175933 MBYOWIWUGSJLBI-WZONZLPQSA-N 461.515 0.815 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1839184781 CNHRYXGQCVFPMN-SBUREZEXSA-N 492.577 0.745 30 20 JCED Cc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn1 1839487336 BZBXMEWANKBUCV-HSZRJFAPSA-N 461.482 0.917 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719840 QQCJHSOLUFMECC-JPYJTQIMSA-N 477.562 0.878 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COCCC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810733 OECRMHQWTNHMQA-UUOWRZLLSA-N 477.558 0.350 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)[C@H]2C1 1840018731 RMZFUCGPZRJHJA-YTSMVRMISA-N 478.546 0.238 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840164953 UFLQYCVTEAASLX-QGLBADPUSA-N 499.630 0.643 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840180898 JGFSGPGUZNHJLP-XZOQPEGZSA-N 485.497 0.120 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)o1 1840819036 LIUVLFCTZRRTJB-QFIPXVFZSA-N 455.471 0.328 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCO2 1840879673 ACQFWTPHQIHQJL-LGPHYQMPSA-N 487.509 0.131 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 14896608 MIFJEYVKXSBBHM-UHFFFAOYSA-N 493.545 0.463 30 20 JCED N#Cc1c(CCCNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)nn(-c2ccc(F)cc2)c1N 25165835 GNQJLROGLKZIFI-YOEHRIQHSA-N 488.545 0.550 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)C1=O 490365321 KDTPZGVOPAITNH-UHFFFAOYSA-N 485.522 0.435 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 503318575 ZOFCOZSBBHEXRG-UHFFFAOYSA-N 477.587 0.806 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc1OC 507086902 NRQPPEBPCUMPTG-OAHLLOKOSA-N 473.551 0.661 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c(OC)c1 514521482 LXXKTJPKMIXLEH-UHFFFAOYSA-N 484.578 0.213 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119584 LFLOVVRHUPILFO-UHFFFAOYSA-N 469.544 0.912 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2Cl)c1=O 604269842 FOONODYQTAZKTF-UHFFFAOYSA-N 460.943 0.013 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc(C)c1OC(F)F 608912544 VDRCJYRECMEFMD-UHFFFAOYSA-N 464.494 0.641 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(Cl)c(F)c2)c1=O 729670991 FJFKJFKULJUIKH-UHFFFAOYSA-N 483.974 0.872 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCS(C)(=O)=O 729674469 HWJGMSNPRXXWKX-ZDUSSCGKSA-N 463.537 0.981 30 20 JCED C#CCOc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 731125227 AUWRNQJPDYTZFQ-UHFFFAOYSA-N 457.508 0.974 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(c3nncn3C)CC2)cc1 918435692 SKEMDNNQIDUDBL-BWAHOGKJSA-N 473.559 0.973 30 20 JCED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(=O)(=O)C1CCOCC1 1136149383 IOZXHQPYMXVREL-HNNXBMFYSA-N 455.558 0.373 30 20 JCED N#Cc1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 1166314222 LCYYEUPMXOURGG-UHFFFAOYSA-N 458.496 0.414 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1COCCO1 1303854444 UMRKHXHKOHQWOT-HKUYNNGSSA-N 489.602 0.892 30 20 JCED C[C@@H](CC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1452164427 OBFIJRKDBBPWLN-AWEZNQCLSA-N 456.528 0.346 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539803668 KWKXEZDKPIKALM-QFBILLFUSA-N 485.998 0.849 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1([S@@](C)=O)CC1 1541675602 QVHJPZLBSIWGLO-RQOHWKINSA-N 471.591 0.704 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CN2CCCC2=O)n1CCNC(=O)C(C)(C)C 1612885315 PUAJQVDTINVSAZ-QGZVFWFLSA-N 494.604 0.940 30 20 JCED CCN1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1615895861 UMQPCRXTTKCYFH-RTBURBONSA-N 482.655 0.234 30 20 JCED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1618465870 IMXFGBPMZMQALC-WIYYLYMNSA-N 460.560 0.419 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 1661065762 IUVRUKAWJMJFFB-UHFFFAOYSA-N 457.516 0.723 30 20 JCED COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1697717652 LOGOLESMXNTNEY-QHCPKHFHSA-N 470.530 0.612 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCOc2ncccc2F)C1 1698313088 SFGFZSRAFGKHGW-BEFAXECRSA-N 483.501 0.666 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)C1 1705975246 RADLSTOWUYZMMN-SZMVWBNQSA-N 467.596 0.465 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1706748110 SURMSVVOBKISPP-HIFRSBDPSA-N 456.960 0.899 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCC(=O)NC1CC1 1761498607 HGLCRCNMNHQEOZ-YOEHRIQHSA-N 464.596 0.124 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1765507494 YSVWUBMPYPJVKV-LQWHRVPQSA-N 498.629 0.079 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CC[S@@](=O)CC)C2)C1 1778821792 BTRKTAPBYCLMDW-UFMLHLBNSA-N 469.604 0.892 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1779063243 SIBGURBRLILQBP-HSZRJFAPSA-N 453.499 0.577 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cncn2)C3)c(C#N)c1 1780686394 BPYADVXPLDGMEY-NFBKMPQASA-N 452.515 0.915 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)C2 1781693358 ITUKSHKEEQMQSP-RCZVLFRGSA-N 458.603 0.856 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)c1 1781967280 UZCHZWONGSRKRI-QFIPXVFZSA-N 469.429 0.911 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)CCO2 1783917929 VWXFJOPFLOLIAQ-LTMIRXACSA-N 464.563 0.764 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2)c1ccc(O)cc1 1784015037 VEEBLUTYXSQWEZ-UUOWRZLLSA-N 468.510 0.271 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2)NC(=O)OC(C)(C)C 1785303761 IVFDANUOCHXJLT-GAJHUEQPSA-N 478.594 0.516 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1785571799 DKRISFGZPRDWQV-HXOBKFHXSA-N 475.546 0.789 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785710942 MBKYUYUXFOGUAC-YEWFCNIMSA-N 466.560 0.879 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787092478 WOYSGFFCPVRWPG-XSLAGTTESA-N 477.566 0.512 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc(O)nc4O)[C@H]3C2)cc1 1787428567 BDOFPBYXKXSCOL-WDSOQIARSA-N 451.483 0.986 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C[C@@H]32)CC1 1788191465 IBRZRKYSWCGYLF-SNRMKQJTSA-N 494.518 0.813 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C[C@@H]21 1789891926 YQNPLBQBKXWPQD-JPLJXNOCSA-N 472.542 0.689 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nnn4c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c1ccc(C)cc1 1795320743 SFUVCENDBTWZBW-DCXXXQMHSA-N 450.557 0.949 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1796319965 APVFDSHFDPSEDQ-YALNPMBYSA-N 478.347 0.971 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)c1 1796426630 KFMFMLOUFXXBJV-RPCVNMKUSA-N 455.540 0.872 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]nnc3n2)N(C(=O)OC(C)(C)C)C1 1796574764 WIHKDRRGYFGYCO-IVSAIRAKSA-N 498.544 0.630 30 20 JCED COC1(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)CN(C(=O)OC(C)(C)C)C1 1797153398 UQQJYYIZUZXYAS-ALXJQNPVSA-N 462.547 0.906 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1797707070 CYVKPELNRWVSDS-JWWGGVBKSA-N 458.559 0.695 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3)C2 1797816767 RIVCLOIVTPUEGY-HHWFMCFWSA-N 456.499 0.913 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(N2CCCN(C)CC2)c(F)cc1[N+](=O)[O-] 1798594586 FDGGCHUYXSGWHB-MFKICJERSA-N 473.505 0.712 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799072660 YNKYULGIAHAOOL-JLVBRIDZSA-N 450.586 0.400 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2 1799156020 FBHLXIHCLOOLIL-ZLXUVUDQSA-N 455.577 0.673 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)C2 1802025364 WREJRKUYEYAHPE-HATOLVCRSA-N 481.590 0.937 30 20 JCED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@@H]2c2cccnc2)C1 1804387733 LNZVGEPCMKJMJZ-PXNSSMCTSA-N 491.552 0.501 30 20 JCED N#CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806289501 PFUCFNUPXQECHP-LJCCNALRSA-N 470.555 0.181 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808270907 JFKBANANVVWVNE-HCXYKTFWSA-N 460.579 0.843 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1808879089 XHRNUCNRCHVUCN-JLTOFOAXSA-N 453.411 0.801 30 20 JCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)sc2C1 1818585049 DPHGEQDGNWSMGP-JTQLQIEISA-N 477.462 0.341 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1824459697 UYLVBHRQWQKCRQ-BLGZVQDTSA-N 468.620 0.792 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975428 WNPQTNRKOWJVLL-QUCCMNQESA-N 453.605 0.375 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)CC1 1830063607 USEHUFJHZOSOMI-DEOSSOPVSA-N 493.605 0.545 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1C 1830953172 OXLGKQIOOQFQTK-DEOSSOPVSA-N 458.559 0.426 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C(F)(F)F)C2)C1 1831386347 FOCASNAJGWSEGH-LIRRHRJNSA-N 458.437 0.547 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1831391881 XBLGOJXVJIRJMX-CVDCTZTESA-N 478.567 0.345 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1831396799 KDQMYWDPXKUTAZ-UZUQRXQVSA-N 469.498 0.548 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1831998675 QRXUPDPKQWYFBJ-UZUQRXQVSA-N 493.561 0.846 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832298874 UJPQNIXTGYOMQT-YADARESESA-N 494.589 0.228 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832419916 DLCDDXWZWMHUON-HSZRJFAPSA-N 463.579 0.127 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832748834 AORWOFPEBLSQON-YADARESESA-N 471.579 0.966 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833032966 DYNNOEYKVLPRKV-IIBYNOLFSA-N 466.560 0.735 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C)nc1OC)CCO2 1833865097 OVTCJGNGNXTSEY-NRFANRHFSA-N 450.492 0.008 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834326346 XFACUPZRTOKDKP-HXUWFJFHSA-N 472.590 0.385 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccon3)CCO2)C1 1834492872 SVQDLFYSXOIAIO-KSFYIVLOSA-N 462.503 0.661 30 20 JCED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)CC[C@@H](N)C(N)=O)CC3)CC2)ccc1F 1834735326 OYYHJFJBZVOJEL-OAQYLSRUSA-N 472.565 0.404 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(F)c1)CCO2 1835139543 NNUZWYJVMFOUEA-IYZQMXKPSA-N 463.481 0.822 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835354784 BGFITAFPXPVYNX-NRJQMVOHSA-N 468.551 0.675 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)CO2)C1 1835362531 NBBQBRIMKYLCMH-KOSHJBKYSA-N 492.573 0.773 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835435352 SMLPOBAQZIORIO-UZUQRXQVSA-N 482.578 0.391 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682203 BRBLWBLMWUGBQO-IECBHUPTSA-N 476.574 0.480 30 20 JCED N[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1cccnc1 1835835527 XLLKZHQBWHBWIV-BYLPDHQTSA-N 458.563 0.400 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1noc3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1836772272 BJSAGUAMKDMLDV-QHCPKHFHSA-N 474.514 0.671 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cc(Br)ccn3n1)CCO2 1837184753 WNTHZZXNDZWOBX-FQEVSTJZSA-N 491.298 0.255 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)cc1 1837247576 WUAFQZFUVWIIOV-IBLIISRWSA-N 452.511 0.392 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1837392062 ZFHOWUSIZQLTKS-HKARXFIJSA-N 469.579 0.929 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837443536 FQRPLJVGDKDXMA-NWBNNPRYSA-N 455.519 0.271 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)c2c1 1837446345 JCFMCXUWDPEXFD-PODSUIKTSA-N 479.541 0.976 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837482752 CIZWBMKXZNKDEM-HXOBKFHXSA-N 450.499 0.919 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491424 ZRBLHFCNXIJPFI-XMMPIXPASA-N 457.527 0.154 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531745 VXISIJXOLMMABC-XUFBJZODSA-N 468.551 0.277 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1838582436 MRSBRSSQOLWFPX-QFIPXVFZSA-N 453.455 0.034 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)CN5C(=O)C=CC5=O)CC4)CC3)c2c1 1838695640 QSCLDQZLUDUHPH-UHFFFAOYSA-N 490.520 0.972 30 20 JCED O=C(c1nn[nH]c1C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1838762337 FTDIJVKZRJVIQV-ZDUSSCGKSA-N 463.310 0.794 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn(C)c4=O)C3)C2)c(C#N)c1 1839131518 IYCRHMJEBGAMOL-VWLOTQADSA-N 480.521 0.578 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186809 PBHAZECLAHNKOP-DEOSSOPVSA-N 474.533 0.859 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191025 QKPHYTSLLWGOBJ-PKTZIBPZSA-N 465.547 0.540 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1839421527 WLTHCVVIPDHMJC-FQEVSTJZSA-N 458.406 0.712 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCO2)C1)n1cnnn1 1839443576 PKADDWSEDQIMCP-JLTOFOAXSA-N 493.446 0.895 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839450755 GMPLFXOGOMLWEJ-UUMVVRSSSA-N 452.511 0.795 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839451252 IHRKBGMJUKZWSG-QHCPKHFHSA-N 453.499 0.993 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1839454071 RRNQQVVWALEOCO-HXUWFJFHSA-N 468.432 0.615 30 20 JCED Cc1cccn2ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)c12 1839611032 TVJFPELAIABEFD-DEOSSOPVSA-N 468.558 0.995 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)[C@@H]2C1 1840010329 WLJJLVLTKIOHQX-NDBKNAECSA-N 474.558 0.859 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840037798 RPRLZZMGEMCNSC-AKSYTGEZSA-N 495.580 0.825 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccc4ccccc34)C2)C1 1840040935 GQCQJENXYXZRIE-DEOSSOPVSA-N 452.463 0.763 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(C)(C)C 1840041951 RHMSLSWXONNARX-JPYJTQIMSA-N 481.546 0.470 30 20 JCED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840044960 KBYHVWKZUWMTCJ-HSZRJFAPSA-N 477.514 0.098 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840158780 QCBYBMPKUVQDAX-AUUYWEPGSA-N 457.574 0.015 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1840292338 IYZWTOYAQGDUHV-NRFANRHFSA-N 464.544 0.102 30 20 JCED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1840320206 GFEJSNANYGUFPA-NRFANRHFSA-N 453.612 0.850 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1 1840713731 HOXHXYQFNLDHBP-IQMFZBJNSA-N 467.482 0.899 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840770932 SVMJLJZNQOLXNK-BVZFJXPGSA-N 483.521 0.777 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840820381 MKCUNDGSXMXHDU-DEOSSOPVSA-N 470.526 0.406 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1840906936 MDZFWVVPPXZCMJ-BTYIYWSLSA-N 479.559 0.525 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842874837 XRJNCRXHMBRHEB-GOSISDBHSA-N 494.485 0.786 30 20 JCED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 497654789 BWBQBRSRQOSYMH-RTBURBONSA-N 475.615 0.827 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 518943244 COGLSPUVORFCNE-UHFFFAOYSA-N 491.552 0.303 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1C 524281372 SSRDJBVJVKGKJO-UHFFFAOYSA-N 492.623 0.051 30 20 JCED CN1CCN(C(=O)[C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 603739835 KKJSUPZOUDNURU-NRFANRHFSA-N 473.599 0.724 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccc(C)cc1 604118980 XYFLFWDRQWKDRD-UHFFFAOYSA-N 497.598 0.877 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc(C)c3)c2=O)cn1 608883845 KFZAAUSVMDIGIJ-UHFFFAOYSA-N 462.531 0.973 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2OC)c(=O)n1CC(N)=O 608910781 NPZHHNIJSBSDHP-UHFFFAOYSA-N 469.350 0.740 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1CCc1cccnc1 609038845 NRLGEEAJVPIVBR-UHFFFAOYSA-N 453.549 0.366 30 20 JCED N#Cc1ccc(N2CCC[C@H]2C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 728345809 RLHWNMHAMNPYLV-PMACEKPBSA-N 460.556 0.402 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)Cc3cc(C)no3)c2)CC1 728531981 OSYKLTXJQXYZAC-UHFFFAOYSA-N 474.539 0.473 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 769213976 AIHRBFMSGUGOOQ-AWEZNQCLSA-N 494.551 0.657 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)s2)c1=O 838289667 HJNGEZMLEUFGEM-UHFFFAOYSA-N 483.015 0.223 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4ncccc4c3)c(=O)n2CCOC)CC1 916199260 DLRUTXXJHPGPMF-UHFFFAOYSA-N 477.590 0.772 30 20 JCED N#Cc1ccc(NCCNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nc1 916516361 LWXSYMQIMPXYGC-UHFFFAOYSA-N 458.548 0.211 30 20 JCED CCOC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918288224 IELOPMANUDTVDT-XLNRJJMWSA-N 465.532 0.739 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C2CCN(C)CC2)c1=O 920398612 GSLDTJVGECCYME-UHFFFAOYSA-N 456.616 0.802 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCCC1 1288864812 ZBPPICXGOLONSR-FUHWJXTLSA-N 450.613 0.551 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1-n1cccn1 1303837528 YGARRDGUUYCANG-AUUYWEPGSA-N 459.511 0.959 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1314702257 VPHGUHXRMVWYAT-LJQANCHMSA-N 487.586 0.536 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 1472525068 XCDIXRQQYWYBDC-PBHICJAKSA-N 452.533 0.977 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C 1539600890 WKIBBFXJWXYDNF-CHWSQXEVSA-N 477.385 0.187 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CC1 1728665274 QDLBMCLXLKRHON-UHFFFAOYSA-N 474.591 0.014 30 20 JCED CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1768459530 TUQFKKZCFMVXRW-SFHVURJKSA-N 471.587 0.857 30 20 JCED CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1768940079 RBSYYXINJLGGKH-UHFFFAOYSA-N 453.547 0.867 30 20 JCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2)[C@@H]1SC(=N)NC1=O 1778080558 JYENCBLEDHPIGB-LUDNOHBGSA-N 478.619 0.585 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO3)c1 1780167284 NFGKZUKAKIVAHW-NTKDMRAZSA-N 488.541 0.896 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1781310414 LTBPBVTZKWTJJP-AUSIDOKSSA-N 493.582 0.732 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(-c4ccccn4)nc3)C[C@@H]21 1783529077 BHZVDOTXKDXLDD-MZGITEKTSA-N 476.537 0.990 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1)C(C)(C)S 1783777337 BAFYFYYSTTVIOP-YGHRGLEHSA-N 484.619 0.697 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783913772 ZJXFMQDZAOBWTC-UFYCRDLUSA-N 457.600 0.955 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)N(C(=O)OC(C)(C)C)C1 1783930985 DXASCUXMWBLTGD-DPSWKAHMSA-N 495.573 0.998 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)COCCO)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784094409 XHYRGFGHKAKUPA-HTAPYJJXSA-N 453.536 0.391 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOCCOC)C[C@@H]21 1784483067 XHVFILVDQSJYLP-MLNNCEHLSA-N 484.590 0.091 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3OC)[C@H]2C1 1785653125 LBCZSSJPVHCSMQ-FJIDUMEYSA-N 487.557 0.995 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(=O)(=O)N4CCCC4)[C@H]3C2)c1 1787506125 IXDJFFLIPZMGTN-UFYCRDLUSA-N 460.556 0.577 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)N4CCOCC4)[C@H]3C2)c1 1788646680 ZKYLRZGGOQCKRT-IBPRQYQWSA-N 456.543 0.121 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1)NC(=O)OC(C)(C)C 1789918518 IIAZCDKPXZWDEJ-RDGPPVDQSA-N 469.579 0.835 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21)C(C)(C)S 1791191986 HFSDNNUNQUFXQJ-IQWQSGHPSA-N 498.646 0.704 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380283 QJOVCMCCBFREDA-VMXHOPILSA-N 476.574 0.810 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21)NC(=O)OC(C)(C)C 1792109947 BDNCJVPVNJRECR-XSEPRYCASA-N 480.606 0.548 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC#C)NC(=O)OC(C)(C)C)[C@H]2C1 1792255546 OAYXHDDIGLFCLF-FSGKZVOOSA-N 461.559 0.921 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21)C(C)(C)O 1792273989 CVASDIKXWNBWFJ-LUKYLMHMSA-N 464.563 0.934 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1792449646 MHYHDDGIMDPPNU-XRNRSJMDSA-N 479.574 0.232 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C 1792983048 ABJGVIZMEOGIOU-VLYULWFXSA-N 464.563 0.595 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1793084780 OIIUPWYTTXSIJI-OKFDQDJQSA-N 498.577 0.381 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H]1CC(=O)N(C2CCCC2)C1 1793777554 WSJJUSVBRAYNET-GAGMKYEASA-N 476.574 0.896 30 20 JCED COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c(F)c1 1794452014 IOIKVBZNJHFDRM-CWYBWMOVSA-N 450.467 0.962 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)cc2NC1=O 1795599521 PKSOPSFOXAIWMQ-REGYPHIPSA-N 469.542 0.891 30 20 JCED CC(C)(C)OC(=O)N1CCc2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)n2CC1 1797314976 JYMXBRBAUJFPNW-CWPLJXCYSA-N 472.546 0.793 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1797792061 YMGKSBJDNXNXKL-BAYUQKDNSA-N 473.482 0.021 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2I)CC1 1798115471 GPGKSVJHYQZBLB-PEGIJTEDSA-N 455.256 0.521 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2 1799323074 XRAIFKGYFINNNI-ZMMAXQRCSA-N 497.662 0.920 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1799395798 YGWVEZQBRQUKKD-AVEIZBFRSA-N 470.567 0.653 30 20 JCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)cn2[nH]cnc(=O)c12 1799884509 XYMFARNKOVZGIB-CCWDJLKJSA-N 486.492 0.596 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O)NC(=O)OC(C)(C)C 1800519971 IFIMTBXTJXTRDE-QOIOWGMHSA-N 452.552 0.701 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ncc[nH]1 1801210844 DJCVWIQDGCBPCE-CLWJZODNSA-N 459.547 0.849 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CC#N)C4)c2n1 1801458611 PPZSOKCUJKKFBT-BTTYYORXSA-N 454.491 0.678 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2)NC(=O)OC(C)(C)C 1801930697 QRMSFIBPGDOXDN-GEYWLOKFSA-N 490.557 0.361 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)[C@H](C)CC)C2 1802126010 AANZQANOYMSXLG-VLUPQCQJSA-N 450.580 0.866 30 20 JCED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2)c1ccc(O)cc1 1802420535 AZNGRDGEJYTXDG-KJJMTIBFSA-N 457.571 0.814 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1803508586 ZXHQVLBVBBXHIC-XAQXNHKFSA-N 478.619 0.887 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804192963 SJPGAYLRTFZUSE-YFVAEKQCSA-N 464.588 0.409 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2c2cccnc2)CC1 1809672788 WATPAKPJWOUTTH-REWPJTCUSA-N 463.542 0.765 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812872406 CPVIJQACQUMLAQ-MDKPJZGXSA-N 484.509 0.754 30 20 JCED CC(C)n1nc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1C(=O)O 1812873477 BSCVQDFYYYNABL-YWZLYKJASA-N 453.455 0.965 30 20 JCED C[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)n[nH]1 1821780907 QNLMYPNUHXXRSZ-PAPYEOQZSA-N 480.616 0.900 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)C1 1822203740 MSXHUZKWIZMNIF-NYHFZMIOSA-N 475.502 0.862 30 20 JCED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)CC2 1825019273 BDGHNJLLRZJQEX-GFCCVEGCSA-N 482.547 0.980 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828967373 FCEMTYXTVQZZIM-JTHBVZDNSA-N 461.603 0.955 30 20 JCED CCOCCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829333748 DPIRUHZPPFLWEB-XMMPIXPASA-N 471.510 0.953 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)cc1 1829632413 XICPQUDDLADPAO-DEOSSOPVSA-N 478.509 0.150 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)CCO2 1829848150 ZUOPXQUNZHOBGZ-UZUQRXQVSA-N 463.531 0.245 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)nc1 1829901123 VKYNCQXMRAHVIQ-XMMPIXPASA-N 498.561 0.669 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)cc1 1829907829 RKVZJJJAYDPKEM-DEOSSOPVSA-N 454.527 0.570 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456220 GENBALYMGGZGCQ-JPYJTQIMSA-N 492.598 0.275 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2 1831175018 LXGRMGCSSYKTRC-NXMSCROESA-N 496.605 0.827 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(Cc4ccccn4)CC3)C2)C1 1831386437 GOIGEBHHJVPXLN-LVXARBLLSA-N 484.597 0.788 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)CCO2 1832353722 IWZJKAHSMUBKHW-JOCHJYFZSA-N 476.917 0.826 30 20 JCED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1833096496 UVUACYOZUAGFIY-QHCPKHFHSA-N 453.499 0.599 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1833865189 SJZUIPZHEHZEKK-HSZRJFAPSA-N 471.489 0.752 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)c1 1834565204 SGGZAQZNLADCPL-NSYGIPOTSA-N 492.536 0.637 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(Br)nn4c3)C2)C1 1834758656 TUDGJJDTWAZOTF-SFHVURJKSA-N 463.292 0.475 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1835096967 MSSLJTFGYGZTOF-HSZRJFAPSA-N 454.458 0.904 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)O2)C1 1835352179 PQJIZYKWBCZZOT-UUOWRZLLSA-N 492.573 0.915 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CN)c3ccccc3)CCO2)C1 1835811999 NCYULNUIZCVCPO-YKSBVNFPSA-N 457.575 0.467 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836115238 OHRFPESXUVTHLT-NRFANRHFSA-N 464.544 0.535 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n(-c2cccc(=O)n2C)n1 1836259988 OPSREZWNPGBOEV-VWLOTQADSA-N 494.552 0.643 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836653133 AEFPLFCAELDFBS-HYBUGGRVSA-N 458.511 0.956 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c1 1837116751 PKWREZCZFQXEBL-FQEVSTJZSA-N 483.525 0.777 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3c4c(c(F)c(F)cc4c1=O)OC[C@@H]3C)CCO2 1837140830 HJRGEQMKCCGDIK-BSEYFRJRSA-N 487.459 0.936 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837291576 KQTFJZRGFUDHMJ-ZQMYSKGWSA-N 457.483 0.216 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1837304299 BOKQIWIOXRCHIZ-DENIHFKCSA-N 469.604 0.637 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1837403879 VCNLNJCWHAJVFG-RDPSFJRHSA-N 475.542 0.994 30 20 JCED CN(CC(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1)C(=O)C(=O)O 1837431253 CRRIWVXVWJOVCH-JOCHJYFZSA-N 481.622 0.037 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2)NCc1ccccc1 1837440671 SUOHGJWTUKTWTQ-NDSYCNRYSA-N 497.596 0.787 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1837529826 ZNQOUQPZXMSEAM-FCZBNIPYSA-N 481.424 0.077 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)C=C)CCO2)C1 1837702393 ACTFIALSWZLWER-RHGYRFJNSA-N 494.589 0.603 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1838384397 CQDSUGRGTXRNJL-KRWDZBQOSA-N 453.536 0.101 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838414490 FFXCFCACCJHOLH-OXQOHEQNSA-N 466.585 0.780 30 20 JCED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c(O)n1 1838671301 GEPPTKURIKDGJZ-DEOSSOPVSA-N 457.527 0.864 30 20 JCED CN1CCCn2nc(C(=O)N3CCC(OC4CCN(C(=O)C#CC(=O)O)CC4)CC3)cc2C1 1838717517 GWVVWZCTUPEPOM-UHFFFAOYSA-N 457.531 0.419 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)cn1 1838950936 OQDVPSMPFIQZJV-DEOSSOPVSA-N 498.561 0.882 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1839073252 VGZCKKDNWOUPSN-VGSWGCGISA-N 453.536 0.394 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cnn(C)c4)C3)C2)c(C#N)c1 1839131816 APHDDRAYJVTIOA-VWLOTQADSA-N 481.553 0.932 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1839165633 PZKZAFFVRJCCBM-PNCHPQGNSA-N 482.578 0.437 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1839174300 RIGJIJOKHCAHPR-HSZRJFAPSA-N 461.515 0.599 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CC3)CCO2 1839607440 XAQYSTZSTQLGOY-UTBBOMKLSA-N 482.537 0.500 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](CCN(C)C)(Cc1ccccc1)C(=O)O)CCO2 1839724156 KYSVTMLBQONNPF-DQEYMECFSA-N 471.554 0.341 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)CCO2)C1 1839787531 ZKPUKUMRRNGDSQ-ZHRRBRCNSA-N 463.462 0.771 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1839839675 JCTHQAIXSWDYBW-KKSFZXQISA-N 451.545 0.767 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839987970 ODYBDUMSJHOEEW-YQNSVDCASA-N 467.567 0.439 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncsc3Br)C2)C1 1840041824 JSAPLYHLFLHHFF-MRXNPFEDSA-N 458.290 0.064 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CC(C)=O)CCO2)C1 1840134332 VJQQQDWVXWKVNL-KDLAUNOPSA-N 479.574 0.975 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840142972 FRDVVYTZSJISKJ-PMAPCBKXSA-N 456.499 0.712 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)cc1 1840204537 HQFDFMKIAWKPMX-FQEVSTJZSA-N 468.432 0.501 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1840368396 NXCUODAEXFUJGM-YITPPGKRSA-N 450.492 0.511 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1cncn1 1840820788 JXVYJOBGCPJYDR-VGSWGCGISA-N 454.487 0.246 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1844200675 DZDPRUJENVVSKC-INIZCTEOSA-N 454.531 0.406 30 20 JCED CCCNC(=O)CN(C)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 18662551 SJFGDSFCICMHEA-UHFFFAOYSA-N 464.544 0.487 30 20 JCED COC(=O)CNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 29074272 MBOSGTVRYXQAJV-UHFFFAOYSA-N 487.494 0.880 30 20 JCED N#Cc1ccsc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 511991132 XIOWSTANIGHSAO-UHFFFAOYSA-N 462.509 0.863 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1C1CC1 515623767 CVRQLCSXRMNVHE-UHFFFAOYSA-N 453.520 0.768 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)s2)c1=O 590986557 VBICYTWPMHYHSY-UHFFFAOYSA-N 452.989 0.596 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3ccnn3C)c2=O)cn1 608884361 YGRXBBBKFKAMTQ-UHFFFAOYSA-N 450.524 0.598 30 20 JCED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@H](C)N1CCOCC1 729883037 XORWAHIZXDGOQN-BTNFHWIDSA-N 465.576 0.663 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)CCO)cc3)CC2)o1 747575934 MDOHCGQZUOKGHZ-UHFFFAOYSA-N 462.484 0.126 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 901415279 HWOIKFXKWTWLKQ-CYBMUJFWSA-N 452.489 0.035 30 20 JCED O=c1c(C=NNc2ccc(S(=O)(=O)NC3CC3)cn2)c(N2CCOCC2)nc2ccccn12 914698400 YAYCLJPVWZIVJY-UHFFFAOYSA-N 469.527 0.813 30 20 JCED CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1598123498 WJGFTTOCDPRKLA-UHFFFAOYSA-N 494.600 0.570 30 20 JCED CC(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1607001981 IBRQMPDWZSAKDV-MSOLQXFVSA-N 451.597 0.834 30 20 JCED CC[C@H](C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1613423301 KFEHCRNDKKKHCN-INIZCTEOSA-N 484.609 0.961 30 20 JCED COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1640777115 YDEGCLSISCXTRM-LLVKDONJSA-N 451.277 0.559 30 20 JCED C[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1726747210 YUTQDLQXHDTVEW-YKTARERQSA-N 456.544 0.726 30 20 JCED CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1727261374 WYZBJRSJTHCHLG-RDJZCZTQSA-N 462.580 0.907 30 20 JCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1729204040 YRFBCTAMRVUJMN-UHFFFAOYSA-N 473.603 0.898 30 20 JCED CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1731003269 OGSWDQILGVVNRQ-GOSISDBHSA-N 474.543 0.211 30 20 JCED C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1749243046 ZFKAJIWPBBCNAQ-VQIMIIECSA-N 462.576 0.943 30 20 JCED CS(=O)(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771355389 NGBOQOXDPKVMNF-INIZCTEOSA-N 477.616 0.881 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cc2ccc(C#N)cc2)C3)CC1 1778907937 AVFOZMNBGBPIPQ-ZEQKJWHPSA-N 481.597 0.779 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134021 ANKODQHEPRWYNS-HPARJBSBSA-N 474.539 0.782 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780935351 LOWYQJGWSQLXBJ-JOCHJYFZSA-N 462.572 0.704 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)NC(=O)c2cnccn2)CCO3)c(C#N)c1 1781173001 NNQBJIOMAOAMRQ-GKVSMKOHSA-N 492.536 0.548 30 20 JCED C[C@H](NC=O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1781254286 GUWSWOLQZVLHGW-ZSDSOXJFSA-N 472.608 0.553 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781859950 WNSBXSUBHUBVEV-WZONZLPQSA-N 465.547 0.358 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCNC(=O)OC(C)(C)C)C[C@@H]21 1783531537 VTLUQJGUZYBJIJ-NEPBSLMDSA-N 494.589 0.366 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783614726 FCVXYYUNELPHIP-NXMSCROESA-N 495.573 0.696 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H](C(=O)OC)CC3)[C@H]2C1 1784795656 DJCJRQKUOARHCJ-MICHWDEPSA-N 461.559 0.804 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785724524 DGPZDZVCWAGUDO-UUOWRZLLSA-N 495.573 0.962 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cncn3)[C@H]2C1 1787088817 VLKNXTNJZFSKMF-HAGHYFMRSA-N 488.589 0.955 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4sc(C)cn4c3=O)[C@H]2C1 1788036672 GOEFEZYQMWKJLT-LAQRGFTBSA-N 458.540 0.696 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1 1789797483 ILPAAMLDXGOGPV-FYQPLNBISA-N 450.580 0.111 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1789955895 YBFRNDJWNGICOJ-OVWQWFNUSA-N 456.503 0.484 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CCN3C(=O)OCc3ccccc3)C[C@@H]21 1790792461 NKLHPIQUODCUAE-WIYBCGNWSA-N 469.538 0.761 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3COCCC34CN(C(=O)OC(C)(C)C)C4)[C@H]2C1 1791022472 QCBDHIJCNUTNIR-VJANTYMQSA-N 461.559 0.873 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21)C(C)(C)S 1791192469 NFAUIUUDPRILHO-RZLSGREXSA-N 487.623 0.236 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1792256964 NCTTXZGASXTMJS-CUSZFKRNSA-N 473.530 0.280 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792425837 BBAAIZLLUKLMSF-DAVFGYKESA-N 478.553 0.551 30 20 JCED C=C(Br)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(O)O 1792800567 QHQHECUXGIBOLV-CRWXNKLISA-N 492.367 0.079 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnccn1 1793138888 IPROZMVTTFFQBJ-YNVMFWSZSA-N 457.531 0.525 30 20 JCED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1793256817 QHVNMZXPJCORJA-OPMZPASUSA-N 464.526 0.183 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1793823761 UYDSPDMKJGOAQY-YYAJDYIMSA-N 485.603 0.952 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)c1ccc(C)cc1 1795320601 DSQORTRGGCOXRV-ROAZTASUSA-N 475.567 0.217 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C 1795465365 OTMNDTQRVWWLGR-IYWMVGAKSA-N 472.542 0.535 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1 1796313152 NTESUCWARVTLCF-YHDCXSKOSA-N 460.575 0.801 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2)[C@@H]1SC(=N)NC1=O 1796422873 RYWHGYGJHPEOHS-ZZPMGOEYSA-N 469.567 0.883 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1)C(C)(C)O 1797840164 DHCQMTHRABNJCI-AZCPIAJESA-N 492.573 0.952 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cnc2snnc2c1 1798506211 IZQAPNAZPWOAJD-HGKCTWBKSA-N 455.540 0.988 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)N2)C3)CC1 1799236633 UJYAIMCHNDEKJU-ZMMAXQRCSA-N 489.573 0.395 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)c1 1799860775 JSTFSDODSJCHKH-NOZHCWEDSA-N 480.562 0.904 30 20 JCED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799885428 JNHFRRGZKQWFPA-ZSBFGKGUSA-N 455.544 0.122 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2)c1ccc(O)cc1 1801055911 SRBDIVAOIHOUJQ-UGLIKIROSA-N 457.527 0.542 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cccn1 1801390332 CNUGLEAUCMKWKB-OYSTVDSJSA-N 459.547 0.950 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801533772 UNCZUHYGILSJEO-PZPPHJHLSA-N 485.603 0.480 30 20 JCED Cn1c(=O)c2c(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CCC3)csc2n(C)c1=O 1801984265 COHWCDDZKLLDQX-JLVBRIDZSA-N 485.566 0.125 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(=O)nc3cccnn23)[C@@H]1c1cccnc1 1811334477 OFFVHPCJANPLGG-DNYPJJFXSA-N 487.520 0.663 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)c1 1811532568 IBXZZWAZZKKIJG-WIYYLYMNSA-N 470.555 0.331 30 20 JCED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1812443205 AQHITRXUQMXSMW-HXOKRWIQSA-N 491.639 0.586 30 20 JCED COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1820191389 HGYQSZAFLFADSA-OXGQNUSFSA-N 467.548 0.735 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC3)c1 1821385878 YCLCCEJRPNNPBI-HIFRSBDPSA-N 456.528 0.842 30 20 JCED COC(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828506131 XTGUOESABSPLEE-XMMPIXPASA-N 471.510 0.952 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cncn3)C2)C1 1828580438 QKXUEZOSRCSQLW-NBGIEHNGSA-N 494.552 0.769 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn(C)cc4c3)C2)C1 1829771534 UPOLXVQUKORNJT-POUSAUBHSA-N 467.526 0.502 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2)c1ccc(O)cc1 1829958844 BRMALHJVSGZXID-UZINWLIJSA-N 483.565 0.872 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1830003932 BCOXKOVSNZFDPS-HSZRJFAPSA-N 451.564 0.684 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)c(O)c1)CCO2 1830243283 HODDFQPDXKUYMA-POUSAUBHSA-N 473.526 0.258 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461670 VYTPOELTLRFSRW-QPPBQGQZSA-N 472.542 0.098 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1830468567 OCHAFNFLBCECBD-JOCHJYFZSA-N 472.885 0.663 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C1)C2 1831221559 RWIMEPGQIHFMAZ-KBMIEXCESA-N 484.553 0.492 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831223802 ZVQHBGVBPMJHDS-DVECYGJZSA-N 459.543 0.773 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3COc4ccccc4O3)CCO2)C1 1831228839 MXQDETHFRBZHKJ-DFBJGRDBSA-N 486.569 0.955 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2)C1 1831319157 NMFDPOGFLVOEEZ-UWJYYQICSA-N 459.609 0.763 30 20 JCED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1832286179 RRTHNZORGAQKBG-XMMPIXPASA-N 456.543 0.816 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832497218 LUTLUGFSFXHYKA-YBWSKRLUSA-N 472.542 0.755 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833620886 LTJJORPHDVGIBR-BSEHWYNJSA-N 498.540 0.866 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC(F)F)cn3)CCO2)C1 1833636568 FWTPHXPEEKEWCH-VFNWGFHPSA-N 453.442 0.791 30 20 JCED CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)o1 1833902335 GJMJLMKNSVFUGN-MXZSFLGVSA-N 465.507 0.340 30 20 JCED COc1ccc(Cn2cc(CC(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)cn2)cc1 1834756262 QODVIOUTQAGMJR-DEOSSOPVSA-N 467.526 0.853 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1835677461 JBGXHOITNLBTAK-HXUWFJFHSA-N 450.927 0.482 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1835752428 KFCIAJALBSYLBU-UHFFFAOYSA-N 470.570 0.182 30 20 JCED N#Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)N4CCOCC4)CC3)CC2)cc1 1835759228 JIUSTAPAEKMJFB-AREMUKBSSA-N 483.613 0.713 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)Cn3cncn3)CC2)CC1 1835809970 SWBNQUDQEMQNBL-SFHVURJKSA-N 460.579 0.995 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)C2)o1 1836022774 QIQNAAUBOCNMNS-FQEVSTJZSA-N 494.430 0.976 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CC(=O)N3)CCO2 1836791920 SKZOFSIYRLRYJQ-DEOSSOPVSA-N 471.510 0.761 30 20 JCED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)cc1 1837046642 PCZNBPMLOROHSP-UHFFFAOYSA-N 453.499 0.722 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1837560477 XFPXTEIDUAWMGO-RDJCKRGXSA-N 479.383 0.510 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837564502 SHDRXZWHBNBYPV-CSOJOJLQSA-N 452.471 0.511 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccn(C(F)F)c2=O)CCO3)c1 1837770722 LPTFHJUVGPKZOK-OAQYLSRUSA-N 461.425 0.827 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838598484 KIDITLUWJYJZQG-NRFANRHFSA-N 479.990 0.766 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1OC 1838739206 OGNDWXLPROJTBH-JOCHJYFZSA-N 455.471 0.682 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838767566 LHBSTZNJDWTDHB-PXAZEXFGSA-N 462.429 0.694 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)c1 1838908425 ZUZQFXRFFQRXQA-HSZRJFAPSA-N 451.483 0.921 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)c1 1839104454 SGGRJTQYOMOXJV-KBMIEXCESA-N 485.585 0.273 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839163724 PTQMNYNFFGDQAD-IMWIBFENSA-N 494.589 0.274 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1839173700 HDCKPEXFLVJRGY-JOCHJYFZSA-N 457.487 0.309 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187157 NDJPFQUFIDOSAX-DEOSSOPVSA-N 485.516 0.853 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1839223382 UHVYXYWAZUMXFA-HTAPYJJXSA-N 458.519 0.689 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1839387811 WDPKUYLAYNMUDD-WZONZLPQSA-N 474.514 0.471 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421889 QXNJKTBKYJRNMW-FDDCHVKYSA-N 492.504 0.610 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839636876 QVVUDJNUWHUVKA-KPBWJWCTSA-N 482.585 0.681 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840019094 QNRJTGWKTHDOLY-QTTDFFODSA-N 469.604 0.874 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840037804 RROXYIPUARJGOY-LGZXMISNSA-N 483.565 0.926 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840040046 MWIUYQKIMSOEFE-QZTZHPFYSA-N 493.557 0.614 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)c1ccc(O)cc1 1840222158 GIGOCYSUNVQZQF-UMEGOILYSA-N 469.538 0.482 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1840232874 IMJROORSKCJBCG-YQOVMPOYSA-N 454.527 0.910 30 20 JCED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)cn1 1840462930 VXNXQRYHTRBWON-XMMPIXPASA-N 451.527 0.923 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2cnnn2)CCO3)c1 1840480963 WLHLWRMCWBCMFJ-YVHKJVDXSA-N 453.503 0.631 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840714801 HUXJRIHDFKIQCL-QUZZAMIASA-N 474.514 0.448 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1840907603 YYLBAWAEZVMIEA-ZHRRBRCNSA-N 461.519 0.396 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844224261 XQDMJVWGDCBJPC-QGZVFWFLSA-N 453.499 0.937 30 20 JCED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 501729481 MXBZPPBDUZZTBA-UHFFFAOYSA-N 460.512 0.197 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CCN(C)CC3)c2=O)cs1 516374982 IWQHNIQBCNTSIH-UHFFFAOYSA-N 461.613 0.461 30 20 JCED CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 604207288 NFSKAMOOHTUVGF-UHFFFAOYSA-N 461.526 0.628 30 20 JCED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)cc1C 608912682 UVFXTIYTVCJGHK-UHFFFAOYSA-N 488.635 0.510 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C)s3)c(=O)n2-c2cnn(CC)c2)CC1 726180252 DAIXVUDXQZLOHT-UHFFFAOYSA-N 483.623 0.548 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)C[C@@H](C)O1 727844975 XQMVIRRPMMMWFU-IAGOWNOFSA-N 451.549 0.770 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)CC1 729257237 XLSOXPKFEDHICH-UHFFFAOYSA-N 476.599 0.167 30 20 JCED N#Cc1ccc(OCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 748134308 ORFDPILFKWCGIZ-UHFFFAOYSA-N 488.478 0.922 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 787505355 MTKGZNMKFMGCSH-UHFFFAOYSA-N 461.496 0.885 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 918383911 QIHAHSRTSCSTCX-UHFFFAOYSA-N 466.560 0.960 30 20 JCED CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 918988737 SQVJJAGCGKSEDZ-QGZVFWFLSA-N 478.571 0.956 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1 1298286588 XWQNEBPRNZSVLF-WIYYLYMNSA-N 492.627 0.987 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 1589404927 OAEYNIVSGSRSGR-CHWSQXEVSA-N 450.359 0.745 30 20 JCED COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1=O 1670969245 JHHKYJIDYIBWAY-HNNXBMFYSA-N 459.366 0.778 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1731018804 OHMPDDCGAUJFKT-UHFFFAOYSA-N 455.548 0.874 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCSC2)c1 1747603289 UOLPDXRYDAFWEJ-OXQOHEQNSA-N 478.600 0.792 30 20 JCED CS(=O)(=O)c1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1750191948 XOBQAHADRWJNCK-IAGOWNOFSA-N 479.584 0.555 30 20 JCED CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1750573095 VDDFXKNSNNILRO-KRWDZBQOSA-N 489.602 0.971 30 20 JCED CC1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1752262291 VXKWYVMAXQOJCW-RTBURBONSA-N 481.623 0.462 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778846701 NYTXATSLIKIHSK-NYHFZMIOSA-N 477.566 0.619 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1779062503 KWHXNDCMTMSSNJ-HSZRJFAPSA-N 475.567 0.627 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1779105739 UQGYFVWVMCJAJM-ROZQTZPBSA-N 494.570 0.599 30 20 JCED CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(CC#N)cc1)C2)C(=O)C(=O)O 1781543312 JLUVEUIGCCFZSQ-WZONZLPQSA-N 456.499 0.423 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)cc1 1781792209 VUWIZOLAFGNYQV-HSZRJFAPSA-N 465.466 0.966 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)no1 1782195175 PFPOZCUBEHKMDZ-HSZRJFAPSA-N 477.481 0.605 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NNC(=O)C1)C2 1783272046 HYJNQLQQAVPVBJ-ROWPZZNUSA-N 489.573 0.846 30 20 JCED CC(C)[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)N1Cc2ccccc2C1=O 1783558115 OARFEZHQPOSSQT-XUZZJYLKSA-N 453.495 0.585 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783568369 WAVPCGVDCGQNPF-DGGJZMOXSA-N 463.531 0.988 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)c4cccnc4)C[C@@H]32)cc1 1783604489 PTTSIYIMDBRBIM-FKBYEOEOSA-N 461.522 0.905 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1784011649 NLBQKWULQXPWMG-DHIUTWEWSA-N 473.530 0.702 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21 1784442312 CICSLJYYSAALPI-VTCANLHHSA-N 478.571 0.488 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1784484792 CDBBGDYYRJHZAZ-JIFZMYKYSA-N 479.574 0.232 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1785305460 MCNOFAJMVVTONW-QQMNAOGKSA-N 464.563 0.812 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787092236 IZRCRZJZEYSIEP-OKYOBFRVSA-N 489.577 0.350 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)[C@H]4SC(=N)NC4=O)C[C@@H]32)c(C#N)c1 1789842046 SREWIGFRFDTNNF-ACEOAOOWSA-N 499.593 0.892 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)CC)C[C@@H]21 1792255254 CFGAKJRXBVRSEH-VMXHOPILSA-N 478.590 0.797 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1793340126 LPCXITPBWFFBOT-YQYRJILISA-N 467.522 0.230 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1793366242 IVSYDQIJHOXTBS-DFYYWFRZSA-N 452.960 0.962 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnc1 1793938820 HUCMHVNBEYOQEO-NZGUISNBSA-N 472.542 0.967 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)c(C#N)c1 1796429638 ULCPLZBFBIRSNF-VLFYUQFDSA-N 485.566 0.501 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1797780949 QUJGWFPCIFQJIV-OPOADAIRSA-N 484.553 0.281 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)C1 1797839941 HQGVFUQNAGMOMC-XQAOUMJTSA-N 490.557 0.516 30 20 JCED CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236538 QVTZEYYWALDQEN-IZZQQSIFSA-N 477.562 0.253 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCN(C)C3)C2 1799306100 JNCMVTDIJMGEKJ-UPHUGPLXSA-N 459.547 0.431 30 20 JCED Cn1c(=O)c2c(CC(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(C#N)c[nH]3)C4)csc2n(C)c1=O 1799830199 GRPWDHGKJBBLMH-MUJYYYPQSA-N 480.550 0.993 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801071492 ICWWKXNXACEYRY-QLCXLMDBSA-N 462.547 0.019 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1801883887 YRRQQRADFKXDSA-VYCZESIESA-N 483.612 0.229 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1C)C2 1802126995 DJPZZCVRIDGIHE-DMUMMCEESA-N 459.547 0.698 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C#CC(=O)O)C3)C2 1802152470 NOHDOJIOTCEIBV-NELCAIQGSA-N 461.515 0.452 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)C1 1802236213 WACNBGWMVXOISA-XMTFNYHQSA-N 462.547 0.906 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1804092044 XWDLGYINFSTEAS-VRHYJXMNSA-N 472.502 0.168 30 20 JCED C=C(C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1)C(F)(F)F 1807950073 SKMWZOAZPSAJAX-SWLSCSKDSA-N 462.392 0.646 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1814062745 QJNBSOKFFMPHQS-CVDCTZTESA-N 461.526 0.878 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1814063114 ZVONCJCIARSPOO-YDHSSHFGSA-N 464.526 0.631 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(C#N)c[nH]4)sc3C2)CC1 1821604390 UVLZSHZANQPROA-HNNXBMFYSA-N 455.544 0.733 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665485 PEQTVJTUTQIHCG-AAEUAGOBSA-N 466.516 0.683 30 20 JCED C=CC[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829292560 IHDSUASECCGUOK-LJFZDNNRSA-N 457.575 0.937 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829631048 FQPJAMOBDWGDGV-UUOWRZLLSA-N 454.527 0.638 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1830885758 KDFJOVFQSCZRND-GAJHUEQPSA-N 478.546 0.571 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)nn1C 1830945205 FNBPOAIBXWZAIR-DEOSSOPVSA-N 451.527 0.842 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)CCO2)C1 1831255227 QHLVUBKQFGXFJB-OFVILXPXSA-N 483.569 0.918 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831411582 YOHFDIWZZPOTDY-WCQUILQHSA-N 453.536 0.955 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831491178 YYNXNPDLVUUSCK-NZQKXSOJSA-N 478.615 0.943 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1831491473 DCORUNOQMXLLPS-UTKZUKDTSA-N 452.577 0.949 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833028985 YXBFSIAEPMCGRP-VBURHUQHSA-N 491.545 0.250 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1833476114 YECWQEMFTHGFTO-DAYGRLMNSA-N 465.620 0.952 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834299665 KXKMZEBBEQSDPM-GAJHUEQPSA-N 473.530 0.463 30 20 JCED CCc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834519851 WJPFUCYHVLYICO-CMEFWWCBSA-N 450.492 0.836 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834738462 GRXHZJJSFVUCDA-HXUWFJFHSA-N 470.574 0.101 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1835641935 IJVCZZAGSNCHRZ-QHCPKHFHSA-N 471.558 0.737 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835678006 UMDMNJZMWXGVLE-JOCHJYFZSA-N 478.619 0.690 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)cc(C(F)(F)F)c1 1835749000 YDPQFNMKBRKEQE-UWJYYQICSA-N 497.474 0.240 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1835767878 WWQCIWQRBHHXKD-UAGSDZEYSA-N 479.622 0.809 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836814235 FCPGMFMEOWEZKB-JOCHJYFZSA-N 457.487 0.537 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc5c4NC(=O)C5=O)CCO3)C2)CCC1 1837139844 NKVJDDDDWWQLFQ-HSZRJFAPSA-N 452.467 0.585 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837296880 LWHZQLKWOJGRQR-AZGAKELHSA-N 497.548 0.876 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1ccccc1)CCO2 1837333585 AAYBOTLDVUMTMX-ZLWFTYKOSA-N 456.543 0.802 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1837405495 SALWTUFJZDBSJW-NLFFAJNJSA-N 473.570 0.836 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc(O)n1 1837529511 USQYXZPYHCWXGK-IFXSCVBMSA-N 462.503 0.695 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837564575 YBOCKEKEYWCOPH-YXEXHWSFSA-N 462.503 0.684 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)CCC)CCO2 1837677971 LCOSDMPBONHPII-JTSKRJEESA-N 453.536 0.257 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncn4-c4ccncc4)C3)C2)c1 1838732535 VEUPWOARDGQPHO-QHCPKHFHSA-N 461.482 0.851 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1839103698 VHJPJSOXEXDBSS-DVECYGJZSA-N 455.559 0.264 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1839173888 RTRHRNCYSBCIKW-NRFANRHFSA-N 464.544 0.995 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187565 JUCCYHAHKSEMOQ-DEOSSOPVSA-N 468.485 0.709 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839274445 YQHBGWBVTUWRCA-NOIVPASESA-N 492.485 0.899 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C(=C/c1ccco1)NC(C)=O)CCO2 1839389069 URJLVRVTRBESIW-SWCTVEHRSA-N 486.525 0.071 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)ccc1Br 1839400943 JRBKAYGHIMKAOH-FQEVSTJZSA-N 489.330 0.682 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1839655083 DLVHQIXTPAZNCU-QFIPXVFZSA-N 459.572 0.421 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839692460 YFVOJLVUICQXDN-VWLOTQADSA-N 472.586 0.823 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839739196 UOJNDAHTSMNWCD-XXBNENTESA-N 488.545 0.614 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COCCC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810732 OECRMHQWTNHMQA-MHECFPHRSA-N 477.558 0.350 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1839888648 ZAXFGWLWGNRNKP-QKKBWIMNSA-N 482.484 0.661 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1840045129 RXAQOALASVSCIW-LZDTVADOSA-N 491.541 0.319 30 20 JCED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840199273 VKSCUEAFFQSOMV-QXWLRXRCSA-N 459.565 0.086 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1)c1ccc(O)cc1 1840221758 JCZTXJJDKOWGCC-HYBUGGRVSA-N 467.526 0.637 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251648 RBNXRBZXTSIYOC-YADARESESA-N 489.573 0.974 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840488653 VFHBKCNBUXMQDJ-QQHIZMLBSA-N 463.494 0.897 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1)NC(=O)OC(C)(C)C 1840795798 COGPCXNGARMUSB-JPYJTQIMSA-N 492.577 0.594 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o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n1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)c1=O 25521593 SDOWCSGGOOAGQP-UHFFFAOYSA-N 460.512 0.909 30 20 JCED C=CCn1c(SCC(=O)NCC#N)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 110825855 LFMAENHXTFTVQS-UHFFFAOYSA-N 462.557 0.884 30 20 JCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 478671842 DPXOHWOHHSFHTD-UHFFFAOYSA-N 472.571 0.872 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CC1 503268221 DOQJFDYGAKBKFQ-UHFFFAOYSA-N 497.577 0.862 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 506542272 TWERMVPQEMYZRW-UHFFFAOYSA-N 484.538 0.261 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O 524281282 OVXSBEYTZHFEBK-UHFFFAOYSA-N 476.942 0.095 30 20 JCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 603697326 CWYRRDGPVAMXDV-UHFFFAOYSA-N 454.516 0.997 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(=O)N(C)C 604270569 ZWTKKQFTFRKHHK-UHFFFAOYSA-N 490.969 0.799 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828662 FZRLAZIWRLPKAA-UHFFFAOYSA-N 470.457 0.848 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCN(S(C)(=O)=O)CC3)nnc12 642026309 DDRHDGYJMRWJCQ-UHFFFAOYSA-N 476.584 0.816 30 20 JCED CS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726402545 RTWUHRUTWCARSP-HNNXBMFYSA-N 467.573 0.325 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(=O)N(C)C 726783383 IDYQYSDJWRRPIU-UHFFFAOYSA-N 479.562 0.486 30 20 JCED COC(=O)CSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 729884499 LGAMTPXTAXACIN-QNGOZBTKSA-N 456.546 0.460 30 20 JCED C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CS2 748606895 RZEWPYAIEKCWHI-HRAATJIYSA-N 492.579 0.388 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)COCC2CC2)c1 749043008 LIPYFQRGHVABBA-CYMZXICGSA-N 452.533 0.342 30 20 JCED CN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2C1=O 749333827 XBIYDJDBWXNNJG-UHFFFAOYSA-N 496.501 0.474 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1360695311 TUWGZUVKBBNMDO-YOEHRIQHSA-N 458.610 0.986 30 20 JCED COCc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)ccc1F 1504635893 UKHRGPSRDSBGOM-BBRMVZONSA-N 452.512 0.951 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1510115738 RVENMKYPIXSLPK-OALUTQOASA-N 495.650 0.709 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1519151210 JEGPSORMLORUNZ-LJQANCHMSA-N 467.530 0.613 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSCc2cccc(C(N)=O)n2)CC1 1559397163 QEVCECZNPCFWLU-UHFFFAOYSA-N 459.553 0.818 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1OC 1768532055 SPLHOUPNYWTOTA-DOTOQJQBSA-N 476.559 0.973 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)no1 1779126787 YAGMFGCIDDSLNG-QHCPKHFHSA-N 477.481 0.605 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779134901 PVJJCTHPADWKJP-BFTBBWCSSA-N 469.498 0.535 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1cccnc1)C2 1779358808 FLECVHQLRVSHAX-LUUAGNIGSA-N 470.574 0.797 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)c1 1780933813 AYYNCBVDRLXLEZ-NRFANRHFSA-N 454.512 0.235 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)N4CCN(C)CC4)C3)C2)c1 1781097458 CWJCLMVFYAUCJM-UUOWRZLLSA-N 455.559 0.646 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CNC2=O)C3)c1 1781103602 SSDVHRZHEZFUHV-VGOFRKELSA-N 457.462 0.377 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CO3)CCO2 1781269411 QCIZHXIPRISYBR-HSZRJFAPSA-N 457.483 0.970 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN(C)C(=O)C(=O)O)C3)C2)cc1C#N 1782750379 IXPRNIOIBWXRBM-QHCPKHFHSA-N 472.498 0.332 30 20 JCED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C34CN(C(=O)OC(C)(C)C)C4)C2)C1 1783474457 FCJPVBSFPCAFJA-HTAPYJJXSA-N 497.614 0.817 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784284275 CIGSMJSQYLZYHQ-JCHKBEJOSA-N 492.573 0.888 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1784477642 HCKUTVYDGWOPCT-LPBINRMYSA-N 477.558 0.583 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784506284 LJFJKXROWZRLFV-OYSTVDSJSA-N 469.579 0.833 30 20 JCED Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)c(=O)nc1O 1785353273 IZIPHCIZLOLJBD-QFIPXVFZSA-N 455.446 0.412 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)no1 1785380080 NGEKSSVMIHIIGR-HSZRJFAPSA-N 467.482 0.493 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1785428738 IZAGJICPPHRTLE-ZQDYSYBYSA-N 477.583 0.907 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785746734 MCZAMXGMAYAWGA-GAJHUEQPSA-N 463.531 0.942 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)C1 1786702663 GELORQBOWYBGJP-OYSTVDSJSA-N 464.563 0.888 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(=O)(=O)N4CCCC4)C[C@@H]32)c1 1790226942 DREGWJAYVJWHDI-QRFRQXIXSA-N 478.546 0.716 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1 1790270687 WSSZMQQIYNOVCJ-JKLQHZFJSA-N 471.510 0.955 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1)NC(=O)OC(C)(C)C 1790848628 CMUXQRPNPLWDSZ-RDGPPVDQSA-N 466.579 0.962 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)CC2=O)c1 1791073077 LLLDPZVZGMAXIE-JSJNYSNDSA-N 469.494 0.116 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1792222924 DEWPLXFPUACUSH-QXKUPLGCSA-N 473.592 0.741 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792272770 OPEIKYDDDBZTRE-ATIWLJMLSA-N 496.605 0.308 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1792528721 CHHWPZWBGJKYAV-UFZBXBPUSA-N 499.568 0.973 30 20 JCED CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1792866462 RBOMOWJWYQDAJZ-MHORFTMASA-N 464.563 0.888 30 20 JCED COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795278220 UTFNVZKUTNHLTC-BRTYFSMRSA-N 474.554 0.324 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccn2n1 1796104265 STFSSJADUNBJQH-SFNKJDCFSA-N 482.541 0.849 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2C=CCN2)CC1 1796313236 SDSQWMSMDUKZGM-RDGPPVDQSA-N 473.574 0.645 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1)NC(=O)OC(C)(C)C 1797688144 TWZOTWMEEOKFGG-NXEZDXNNSA-N 463.535 0.311 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1797707575 QTGSBHKCAIUDTG-DACLVMHWSA-N 451.545 0.261 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1797740539 QDGWJTGWVJBZQG-NEJHCFKJSA-N 452.405 0.403 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798096414 HEEPVDWXTWEOSI-DACLVMHWSA-N 489.529 0.847 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)c(C(F)(F)F)n1 1798356295 FBSSZJOGAFJKHI-GNXNZQSNSA-N 489.414 0.378 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C3)c1 1798576547 HSDUGHUNOISRFZ-PVWSKULASA-N 471.539 0.573 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798634750 AIIKVGVSOMJLAA-VQQMMKBISA-N 495.536 0.844 30 20 JCED C[C@@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12)C(F)(F)F 1799883068 HRDYOFKPAIWCAS-CVGJEZRXSA-N 451.405 0.951 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1800451708 ASLHNKNURPLRHJ-SHJAMOMRSA-N 456.543 0.927 30 20 JCED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1800491063 LASIDIHZLLYUOZ-QSNWEANLSA-N 455.559 0.823 30 20 JCED C=C(Br)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1800898483 KFFPHXMTMYTKEO-CRWXNKLISA-N 492.367 0.079 30 20 JCED CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800906765 CTBLIYNSVFKJKC-YALNPMBYSA-N 472.608 0.314 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801444638 RAEDDUCAGBESTC-MCEUPANISA-N 464.588 0.396 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)cc1 1802575088 GRSOUIUIOYGKPI-WMZHIEFXSA-N 460.494 0.754 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1804429007 VUQQQQQAOGGTNY-NLQQGEAXSA-N 477.562 0.252 30 20 JCED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1811367410 MHBXPGKVTYGYRD-LADGPHEKSA-N 465.554 0.754 30 20 JCED N#CC1(C(=O)NC[C@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)CCC1 1814048503 RVTCTUISHUUSAO-UYAOXDASSA-N 459.572 0.512 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1815785647 WVDKVKFNMOPLNH-OBJOEFQTSA-N 478.527 0.513 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815851489 NBDFDJWITPFCMU-PITUFAOZSA-N 491.599 0.992 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1 1817315147 DJSBCAJCRWNYTG-INIZCTEOSA-N 467.534 0.937 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCN(C(C)=O)CC2)CC1 1823746463 DUAZPPLYNSDGLD-KOIKXXGWSA-N 473.618 0.629 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCN2C(=O)OCc1ccccc1 1828641458 PZYJELDWLMRGDZ-VWLOTQADSA-N 491.504 0.559 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CNc4ccccc4O3)C2)C1 1829770492 UKEYTAMBLWVOGD-YTRVONPVSA-N 484.553 0.564 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1831420356 XNCSEQGQMUXTNW-LNPFQXMTSA-N 476.530 0.040 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1831421644 NMALSQOSFNGMHO-VGOFRKELSA-N 455.552 0.901 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1831426997 OPOYIHNZSPRUSN-VGSWGCGISA-N 458.519 0.402 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1831999138 XHPPDQAQGVNFJE-HKARXFIJSA-N 480.562 0.191 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1 1832026821 LBJWDPPVYSLGBS-AVRWGWEMSA-N 480.521 0.699 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)CCO2)C1 1832353486 FUXFYXLFUMEUGZ-LHSJRXKWSA-N 483.974 0.840 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833614141 DJPLMCKLHOVFEA-IBGZPJMESA-N 460.575 0.446 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](CC)NC(C)=O)C3)C2)c(O)n1 1833695828 HUCBQZYSVJPPPO-GBXCKJPGSA-N 474.558 0.891 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)CC1 1833725614 BWDRHUKZGHLBDZ-UHFFFAOYSA-N 494.548 0.722 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834196505 JSJGGRGXUOPWKJ-QHCPKHFHSA-N 452.467 0.808 30 20 JCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1834607278 WTXJWYOQZHQNKR-UHFFFAOYSA-N 458.588 0.767 30 20 JCED NC(=O)[C@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1834732322 PTRKCKAYAXTAOF-OAQYLSRUSA-N 474.005 0.856 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COCCOC)CCO3)C2)c(O)n1 1835239284 HHJBFWSEUNKNBZ-HSZRJFAPSA-N 463.531 0.639 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1835405261 UDYRDEPWEUFOTC-VWLOTQADSA-N 495.584 0.142 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835860258 OUUUREBUIPWBQN-IVZQSRNASA-N 477.518 0.102 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835874383 YMIZSDPPNRXPOO-QKKBWIMNSA-N 459.528 0.382 30 20 JCED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc2c1-c1ncccc1OC2 1836262391 HIOZRLHPQGJVPF-XMMPIXPASA-N 480.477 0.138 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320916 XUMJYPDUFOKBRT-NRFANRHFSA-N 497.474 0.957 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1836380892 LBYNFUPUOHXNTB-QFIPXVFZSA-N 487.538 0.210 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3cccnc3n1)CCO2 1836826729 ORCVOBPGFJRBNI-IBLIISRWSA-N 465.510 0.558 30 20 JCED CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837524599 CLAOQCWDTGJCSC-PHPQDFSTSA-N 452.552 0.314 30 20 JCED Cc1onc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1C 1837526281 UAEQTWOTBBPGFM-UWDDZFTESA-N 450.492 0.890 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1837528307 FPQSZNVBGSXDMT-ZWTIIMOHSA-N 488.501 0.034 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837533583 WDEVJLQQBRNUDJ-GWYVQQBTSA-N 463.535 0.649 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)no1 1837549416 VENKJVFDUCHXHI-HSZRJFAPSA-N 467.482 0.355 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559845 AXMWWELVTZEKQE-ZKTSJEKDSA-N 494.545 0.041 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1)c1ccccc1 1837610477 SRXOOFGXDGXSLR-BWKNWUBXSA-N 470.570 0.911 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733072 MRZLNSKGPSPBLE-SBUREZEXSA-N 491.545 0.232 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)CCO2)C1 1839036840 QBJZGRGPBMZWQZ-APJQNUAFSA-N 491.560 0.974 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1839173626 BTSVMZXSDDIPJP-DEOSSOPVSA-N 483.525 0.847 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1839175865 JDPUFDZYJDDHKS-DFBJGRDBSA-N 487.553 0.771 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839225000 VJYQJIIFLRJHPO-BTYIYWSLSA-N 460.491 0.306 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)cc1Cl)CCO2 1839257569 OPIJKRQHMHVOHD-QFIPXVFZSA-N 472.885 0.684 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c1 1839421454 RWFZYWRIHASNNV-XMMPIXPASA-N 492.467 0.484 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-c4ccc(O)nn4)cc3)CCO2)C1 1839469886 MULPNEZCORODGT-CJAUYULYSA-N 480.521 0.958 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)no1 1839487326 BRIXDDCFNQKJGR-JOCHJYFZSA-N 465.470 0.439 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488257 HDJGCFQYRRNZFN-VOIUYBSRSA-N 490.524 0.795 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839726916 NRKAKECFJFFHIE-LLZJGCNPSA-N 467.566 0.492 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c3cccnc3)C2)C1 1839806251 HDAMMUZFKVFFDL-XXBNENTESA-N 458.515 0.737 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](Cc3cccnc3)NC(=O)OC(C)(C)C)C2)C1 1839807028 KXSUAXRGFHHHHD-CJFMBICVSA-N 486.569 0.997 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CCO2)C1 1840009666 PILYHGGMHQOSQD-FUQIYGJBSA-N 491.585 0.594 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840016767 WJWXOYLBGVYLJL-VEYWIMSWSA-N 452.511 0.903 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccc(Cl)cc4nn3)C2)C1 1840041924 PPPNIIKYNNSKCI-OAQYLSRUSA-N 458.858 0.441 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840174449 FGAUJCCAGPGQJE-FCHUYYIVSA-N 453.536 0.703 30 20 JCED CCOC(=O)N(CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)Cc1ccco1 1840340341 DUJJHJUPJIQPIA-JOCHJYFZSA-N 462.503 0.998 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc(C)s3)CCO2)C1 1840400095 COKRNGOEOMEMBN-OAQYLSRUSA-N 451.545 0.960 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840483889 MPWFBCIHCUOYFZ-XMMPIXPASA-N 476.493 0.726 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c(C#N)c1 1840608759 UHSHNCZXQWKNRT-CETSDDCJSA-N 455.511 0.458 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(N5CCOCC5)n4)C3)C2)CCC1 1840813645 LVVOFSGFOMFJBX-DEOSSOPVSA-N 469.542 0.682 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)C1 1840818347 XKEWVHPWQWBSSD-OSWQYVSFSA-N 485.537 0.983 30 20 JCED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818765 WNVMWQYODSBKLK-CYFREDJKSA-N 467.526 0.926 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1840906724 IIIOVIDMIDTNME-ARBHZFCZSA-N 465.547 0.130 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1840908536 CBYRZDIUWDFCAQ-NRVIRDBHSA-N 453.511 0.717 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840909164 NVTYUQPBDQTJON-GAJHUEQPSA-N 492.529 0.154 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1840913074 WYVWYOUVFJBNPG-GCVDANKBSA-N 479.574 0.683 30 20 JCED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1)c1ccc(O)cc1 1841894921 NADNVRJGLWKNTN-FQEVSTJZSA-N 473.595 0.823 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)[C@@H](O)C1 1845107394 ZIIZUIMVWBJLKF-ZJFAXZQBSA-N 480.562 0.947 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N1CCCC13CN(C(=O)CC#N)C3)CCS2(=O)=O 1846141143 AAFMWBOVQPAPLC-HNNXBMFYSA-N 466.560 0.528 30 20 JCED Cc1ccc(C)c(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cscn3)c2=O)c1 497572933 KOHYUYVATIKTRX-UHFFFAOYSA-N 495.630 0.924 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C1CCN(C)CC1 517983337 BNZVLNVHZLKCAY-UHFFFAOYSA-N 468.579 0.992 30 20 JCED COCCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 518073091 GCGCGMRNMVDVOL-UHFFFAOYSA-N 473.511 0.450 30 20 JCED CCOCCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccnn2C)c1=O 523081526 UWPHCQPMOKLMHK-UHFFFAOYSA-N 481.534 0.593 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)c(OC)c1OC 603795681 KMKUEWZKXLNQHQ-UHFFFAOYSA-N 487.578 0.953 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CCN(C)CC1 604434303 HBQPVTGOMGEZFL-UHFFFAOYSA-N 493.568 0.702 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)NC3CCN(C(C)=O)CC3)CC2)cc1 725792162 KZEXHEPHUXLOIR-UHFFFAOYSA-N 493.586 0.929 30 20 JCED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2CCCNS(C)(=O)=O)cn1 730724917 UJLCJAKDKUJSOH-AWEZNQCLSA-N 480.576 0.593 30 20 JCED CCOC(Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1)OCC 748547842 KLLWMDGYQFKUQC-UHFFFAOYSA-N 462.532 0.696 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCOC 916198017 ABHOJUVATXMUIN-UHFFFAOYSA-N 480.384 0.974 30 20 JCED CN(C)C(=O)c1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 918311490 SYKZFXTYCOETEW-UHFFFAOYSA-N 469.523 0.732 30 20 JCED N#Cc1cccc(OCC(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 919416850 CUFSKFBRCRBKGT-UHFFFAOYSA-N 473.507 0.818 30 20 JCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1185397184 PVUDDJFWNHAFBJ-LLVKDONJSA-N 450.336 0.245 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2cccs2)C1 1302480807 VEAAGDLNRNFGPG-KUHUBIRLSA-N 497.578 0.544 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1315752284 NCNWLNPLCBSJDQ-GAJHUEQPSA-N 470.530 0.564 30 20 JCED N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(N)=O)CCOCC2)C1 1505318491 NUDQENGFQOHCFV-HXUWFJFHSA-N 461.523 0.994 30 20 JCED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1518265615 RMPIMTVCAOASCV-CJNGLKHVSA-N 450.521 0.683 30 20 JCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCS(=O)(=O)CC)CCOC1 1696092491 UDVNGYRJQHVPDS-FXAWDEMLSA-N 452.581 0.541 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1710885099 TWMNJYSXYPJVNV-HXUWFJFHSA-N 489.602 0.830 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1748298479 MBSQRZBROMHYAO-SFHVURJKSA-N 459.576 0.891 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(F)F)CCO2)C1 1778920510 BDVVTFYVQKMEFK-SZNDQCEHSA-N 490.504 0.887 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065216 PUSSLIIGTHMXKL-WMZHIEFXSA-N 464.515 0.010 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104183 GXTHRYKQQRDHAK-JKMHKZSOSA-N 497.593 0.587 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)cc(OC)c2)C1 1780087522 JBFCJTGDHAAILO-QMHWCDLVSA-N 474.514 0.759 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c1Cl 1780191511 CWQKKZWYJIKJEM-SFHVURJKSA-N 456.823 0.380 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N2CCN(C)CC2)C1 1780640779 JQBWNDCYYBBCHX-DZCCDHAISA-N 451.612 0.937 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780934007 MWLGMAZTCQHUMA-IGPUNGKJSA-N 474.587 0.193 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1781380518 NLLNDUHAIUYDLE-IOCYEQIYSA-N 495.573 0.615 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1781383842 QYGULWUUBLDRCO-REWPJTCUSA-N 487.594 0.704 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CC1 1781790347 SDNAUFMQFJBCCH-XMMPIXPASA-N 453.543 0.360 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(CCO)CCO)C2)c1 1781838221 AYIOTGPAMAGACD-ZJSXRUAMSA-N 458.559 0.281 30 20 JCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COCCOCCOCCOC)C[C@@H]32)C1 1783466450 RCQPQASWPCDUQE-JBACZVJFSA-N 454.564 0.629 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783567598 SQVMBDYCGYOHLM-CVDCTZTESA-N 489.550 0.066 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567897 HEEQLSPAHMKXPZ-GXZWQRSESA-N 453.467 0.252 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783896942 FMADTFPHIMJHDB-LAPQFRIASA-N 459.565 0.591 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1785225950 TWMJWAVCKDJFKL-YCRPNKLZSA-N 452.504 0.711 30 20 JCED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1785429260 PIDFPRRGZQCOJP-MZLICYQSSA-N 470.526 0.892 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1785552893 NTWRJNBQBXQQPP-GKNRWODDSA-N 454.527 0.493 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1785573659 XPYFFCNSIGFTJW-WAIKUNEKSA-N 473.530 0.845 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1786803410 PCRBARCSKSCOJG-VMXHOPILSA-N 493.605 0.125 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4nc(N5CCOCC5)ccc34)[C@H]2C1 1787178410 KYJFARIXDCLYIZ-CVYDXHPNSA-N 474.587 0.478 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cnc2ncccn12 1788004529 QFHOCODQGZBWLI-KRVXRBTCSA-N 456.503 0.852 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(C#N)c4)C[C@@H]32)CC1 1788111816 WRRHMQYRTZSZNJ-ACRUOGEOSA-N 474.583 0.823 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCOCC4)n3)C[C@@H]21 1788601575 NGOHMUPRMDPMIO-TUOWURLMSA-N 484.601 0.983 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1789839475 YXGOBHUGZDRFNU-FSGKZVOOSA-N 478.590 0.797 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791076963 SNSKLSAOXXOYBI-PNKHAZJDSA-N 481.521 0.649 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](NC(C)=O)c1ccc(F)cc1)C2 1792489631 ASOOJBRJMDQFIK-RUOHDLJMSA-N 472.517 0.451 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1792520814 VEFMMIDZAISCCR-WSRNIBOVSA-N 463.531 0.721 30 20 JCED C[C@@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O)C(F)(F)F 1793728484 SNOLYGWHVWQZIM-BSFVXNEUSA-N 454.295 0.245 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CNCP(=O)(O)O)c(O)n1 1795962466 MCTZWHSXSXXWQX-MUJYYYPQSA-N 452.448 0.882 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnoc1COC 1796690402 SCMPGQKFVLTFTH-HIRMHNASSA-N 476.530 0.941 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796889820 SHTONBHRBZARTK-FCGDIQPGSA-N 496.630 0.967 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CC)C2 1797669283 NTDPTMNQIHEHGM-MDMSPXHWSA-N 498.577 0.152 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccccc1C(=O)OCCO 1798565347 AGWMSMMDJHVGIL-JHVVUYSQSA-N 472.542 0.511 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1801991715 IZGAGKHVNCRRTM-YZNWFPQRSA-N 466.538 0.928 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2 1802125739 QHNSXONLPJALPN-AJYBTWMASA-N 482.541 0.849 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1810246426 YDOIQWAWNKNYGJ-ZJOUEHCJSA-N 478.615 0.391 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cc(C)c(O)nc1=O)CC2 1819722457 QYFOPTHBHYCAJA-SWLSCSKDSA-N 461.544 0.899 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1828514079 HSSLJQSIGFQQLV-RLSLOFABSA-N 483.569 0.711 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3OCC3CC3)C2)C1 1829764868 YHFHHHYATCOSJG-UTBBOMKLSA-N 484.553 0.799 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)c2ccco2)CCO3)c(C#N)c1 1829825837 MJIOLWMLVIRRBY-VWNXMTODSA-N 469.494 0.892 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3[C@@H]1O)CCO2 1830819715 QFRMLWHSRFBNRB-UNAMHFQSSA-N 483.565 0.597 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1833227219 LREDAVZIIFLLEJ-UHFFFAOYSA-N 496.564 0.427 30 20 JCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833273094 LZUNAYWLUQXKCD-YOEHRIQHSA-N 458.625 0.762 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)CCO2 1833566704 RTKFHLKQGGBBTE-SANMLTNESA-N 494.523 0.914 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833596571 ICHDWISUOAJBFB-IERDGZPVSA-N 467.544 0.146 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)cc1 1835440614 YMUBMNJYFIOFOR-XMMPIXPASA-N 456.543 0.279 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)n[nH]4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1835858977 LHJUABFJFSLVTI-SBUREZEXSA-N 491.545 0.751 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380966 PUFPZKXZXWMVJE-IFXJQAMLSA-N 457.574 0.015 30 20 JCED O=C1CCc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)nc2N1 1837441748 CFZIUDKFZIBFHB-FYWXSZBBSA-N 484.557 0.508 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445905 BTIHIYYBVQZLRJ-RBRLBFKISA-N 486.573 0.128 30 20 JCED CC1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837526047 RZKMOBWWQZCJKL-LPEYTCNWSA-N 466.579 0.704 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)(C1)C2 1837565179 NFQYKGKGWOFFJG-KATXYTEYSA-N 459.499 0.498 30 20 JCED O=C(C#Cc1ccccc1)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1837733066 KLCFHADNRCLMGF-UHFFFAOYSA-N 457.571 0.323 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1837881833 QOWJARYXBYVKLJ-HXUWFJFHSA-N 462.591 0.276 30 20 JCED Cn1c(=O)c(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)nc2ccccc21 1838234797 HJWSVCRJLYGSLF-UHFFFAOYSA-N 466.494 0.634 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)c1 1838374368 IUEWLOSMGKASCP-JOCHJYFZSA-N 453.455 0.446 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(N)s4)C3)C2)c(C#N)c1 1839131908 HMGNFHQREVIEHK-QFIPXVFZSA-N 471.539 0.918 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363404 TWHHXWFLMCRYCJ-AVRWGWEMSA-N 492.536 0.431 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839380908 VCCWJHNTYWQJNI-BTYRIHFPSA-N 498.540 0.866 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c(Cl)c1 1839424817 DLUFSTMZCOJIMG-KSFYIVLOSA-N 460.918 0.808 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C3)C2)c1 1839450802 HTKRCLSXACOZAE-JTSKRJEESA-N 463.556 0.617 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839687020 VYNFLQVYAVJOBD-UZUQRXQVSA-N 475.498 0.955 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1839889507 XPNHFJARLDGLSO-OAQYLSRUSA-N 493.467 0.960 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040090 NQYCRLBFHBHUTH-XZOQPEGZSA-N 479.530 0.320 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCCCC2=O)CCO3)c1 1840103780 RMFOBTASYHLBIR-VWLOTQADSA-N 468.554 0.960 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](C)S)CCO4)CC2)ncn1 1840157475 QILNVYSHZRIZDD-KSFYIVLOSA-N 479.603 0.476 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840183215 UPZICIAHHRQIBR-GOTSBHOMSA-N 475.498 0.009 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c(C#N)c1 1840380938 CNCWPAIRCFBIOA-JOCHJYFZSA-N 486.554 0.476 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1840714810 HZVOZTOVXWDHMR-UPCLLVRISA-N 478.509 0.586 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1840795721 YEFRUQZIXBMONN-YTZAWJCFSA-N 496.605 0.814 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C(=O)OCC)CC3)CCO2)C1 1840817705 QBCMMKRXCUIORY-YADARESESA-N 481.590 0.884 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840904932 WAYDXFLXVNHKHS-NLFFAJNJSA-N 473.570 0.754 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(C)n3)C2)C1 1840906870 KUYOLFBKSXLXAT-SBUREZEXSA-N 476.530 0.970 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1840908868 JOGLHEDRACRERZ-YADARESESA-N 479.574 0.786 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=N/O[C@@H]2CCCCO2)c1 1848326768 WUNOWUMNZBZDSA-OJTNZSBTSA-N 450.517 0.830 30 20 JCED N#Cc1c(F)cccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 31400041 KKKSVYNMJXSYDS-UHFFFAOYSA-N 471.514 0.780 30 20 JCED CCS(=O)(=O)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)CC1 109635801 DVGRIOQDTSZIPO-UHFFFAOYSA-N 457.578 0.063 30 20 JCED C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 508089452 POJHDGQTJVVFCB-ZDUSSCGKSA-N 469.951 0.738 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)CC2)cc1 517091356 ZWJUKMWKQCUDNA-SFHVURJKSA-N 462.576 0.162 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 522536657 DEQIEBRKJBWUGN-UHFFFAOYSA-N 492.557 0.662 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O 524412198 QSWAWCBGUBYBAP-UHFFFAOYSA-N 468.457 0.713 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccccc1 603791368 XVURQOZHPVUXSV-UHFFFAOYSA-N 480.615 0.971 30 20 JCED Cc1nc(/C=C/c2cn(C)c(=O)n(C)c2=O)sc1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 726847814 IOEVZZUUGHMWMZ-MKKAVFGOSA-N 455.496 0.313 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c1=O 729468972 VAAWVSRXXPPHGO-QGZVFWFLSA-N 479.534 0.083 30 20 JCED N#CCCCS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 748488528 XYWRYFLXYYFWMN-UHFFFAOYSA-N 460.497 0.858 30 20 JCED CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 854019772 YHPHTGMQZFXNLD-MAUKXSAKSA-N 478.571 0.762 30 20 JCED N#Cc1cccnc1NCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 916641348 XNRTUUFJWXWCRZ-UHFFFAOYSA-N 459.488 0.989 30 20 JCED CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)N1CCN(C)CC1 918253244 QOADNBZFGZGXHK-DFOVGDGWSA-N 492.646 0.826 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccccc2)cc1 918269428 JLWGADFMGOMBQK-MQPOEVEDSA-N 474.539 0.994 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(=O)N(C)C 918729724 HVEVIIIWXNYTHR-UHFFFAOYSA-N 480.550 0.272 30 20 JCED Cn1nc(C(=O)N2CCN(CCOC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)ccc1=O 1122406927 MTJAUIGKBYTGPO-GOSISDBHSA-N 478.509 0.006 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCCC1 1288864814 ZBPPICXGOLONSR-WMZOPIPTSA-N 450.613 0.551 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1314629586 QOMJNPPUUSWJOG-PMACEKPBSA-N 452.563 0.935 30 20 JCED NC(=O)c1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 1338636391 JYUFEOIEZAIAJB-CABCVRRESA-N 450.542 0.573 30 20 JCED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1360619301 QECWDSWJFYZOBG-AWEZNQCLSA-N 454.578 0.577 30 20 JCED CC[S@@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1552416675 NFOBBIZTTLLZCO-AZYRPFHASA-N 479.632 0.855 30 20 JCED CN(C)CCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1552868173 VROCBWUFBZRWOJ-MOPGFXCFSA-N 465.624 0.183 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1628324681 OAEAFOJAWYXYCR-INIZCTEOSA-N 455.540 0.668 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CCO1 1711368984 SDVVBSFLPQOEBV-NQIIRXRSSA-N 483.573 0.648 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1744751344 OLBLERFXKKTGRW-GOSISDBHSA-N 489.627 0.910 30 20 JCED CC(C)NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750994118 PZEDGDDBIGJYLP-QGZVFWFLSA-N 472.575 0.298 30 20 JCED C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760305550 JQLDADNBHHMOMA-UHFFFAOYSA-N 473.339 0.892 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4c(Br)cccc4n3)C2)C1 1778763064 JRNHCECWBXRIDH-IBGZPJMESA-N 461.272 0.628 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1779006354 MRYRSCNOFUUCHE-VRWDYKOXSA-N 454.527 0.704 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1779076623 OOXLXQUCBOYKMU-NZQKXSOJSA-N 473.482 0.262 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779098156 CQJNWQUFUOMBKQ-IXJNNEOUSA-N 498.577 0.621 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1779102318 XNWLNKFRHSSFJX-FHGPFCSPSA-N 487.557 0.891 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)NC(=O)c2cnccn2)CCO3)c1 1780175167 KLGDHFSCHOWLND-UPCLLVRISA-N 478.509 0.619 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)N1CCN(C)CC1 1781097692 OVKBSQJVMXPKGI-CYFREDJKSA-N 455.559 0.403 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782015871 YDGHLTDBCQVEJT-QVKFZJNVSA-N 467.494 0.547 30 20 JCED CN(CC(=O)N1CC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1)C(=O)C(=O)O 1782747924 PJNJOGUUOQONRV-NRFANRHFSA-N 451.596 0.410 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2 1783275546 FYYYXYZZKLPKHD-NXHTTZLHSA-N 479.578 0.819 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1783897688 MCBIVJGVQCBCQO-YJPXFSGGSA-N 457.593 0.895 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)c1 1783912518 WHWAULLLVZGPAX-BJLQDIEVSA-N 475.509 0.515 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784530689 GADQMXLAGXYLFH-HTAPYJJXSA-N 462.551 0.968 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)n4[nH]nnc4n2)CCO3)c1 1785080175 SLHYDHNSOMQCIP-RCDICMHDSA-N 462.470 0.197 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)CC)CCO2)C1 1785573313 ZJZBBFJNOUHLDF-HKARXFIJSA-N 464.563 0.648 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1)C(C)(C)S 1785632970 NPZRAPBYYOMFAL-VLIAUNLRSA-N 473.596 0.086 30 20 JCED Cc1cc(NC(=O)CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)no1 1787491919 ZHNMJASGKDMMQD-FHWLQOOXSA-N 472.542 0.990 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)C[C@@H]21 1788475351 NAIJQTJRHIRLBK-BFNBLTCZSA-N 458.515 0.971 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCNC(=O)C4)C[C@@H]32)c(C#N)c1 1789843256 BHOMUOLYUOGJNE-USNOLKROSA-N 454.527 0.615 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(n4ccnc4)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1790694073 WVIWDIBGAMMUNX-GSRZOBFVSA-N 471.558 0.832 30 20 JCED CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCOC1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075578 AAISOEZUJDOKFU-FKSLSLAPSA-N 493.557 0.374 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(I)c3)C[C@@H]21 1791078384 YACAGFSAOPIFOL-BPUTZDHNSA-N 482.274 0.973 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1792146063 CJEXSOZBDVNDHA-SPEDKVCISA-N 492.536 0.561 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1793774333 WXBZVMLCMHURAM-NSAWSLCGSA-N 453.948 0.973 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795423959 REMUBESZEIQKMP-FSDCSDTHSA-N 452.508 0.336 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796444476 UXZLNAKPDTVAAU-GCJYXCDPSA-N 454.570 0.757 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)c2C1 1797954028 CLTXNWYVGUWZGB-MUJYYYPQSA-N 471.514 0.974 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1798397614 HYNQGXJUZGFJIB-YPLQCARHSA-N 478.615 0.378 30 20 JCED CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(C#N)ccc3F)C4)CC2)CC1 1799191698 KSZFXAOIZBCDFK-RMFSNUHRSA-N 455.534 0.681 30 20 JCED Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)cc1O 1800906180 IJRXHZBLNBGHGG-DLTLXFJOSA-N 497.618 0.931 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)[C@@H](C)S)C2 1800987036 CJTCVWYVURHNNB-WVCIDPQESA-N 450.561 0.530 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOCC2)C3)N(C(=O)OC(C)(C)C)C1 1801103889 ISYGODACZWJDRP-IIZPIQPGSA-N 492.617 0.864 30 20 JCED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc([C@H](C)C#N)c2)c(=O)nc1O 1801766601 CCBPTPJRNOXFPN-ZATISSGFSA-N 465.510 0.788 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 1802024975 FJJCZWIBHVOAIH-UFZBXBPUSA-N 488.585 0.363 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(O)nnc3O)cc2)[C@H]1c1cccnc1 1812877840 QHPKAHFYQWQBJX-JXFKEZNVSA-N 476.449 0.481 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1823388530 TTXHLMOWLGUUFA-LJQANCHMSA-N 470.530 0.639 30 20 JCED O=C(C#CC1CC1)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828571508 AJMVMZUXGHBSPY-DEOSSOPVSA-N 477.525 0.539 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC=O)CCN2C(=O)OCc2ccccc2)C1 1829221267 NFBZDSZYIBVRAE-WZOHSFFVSA-N 484.553 0.611 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)COCCO)CCN2C(=O)OCc2ccccc2)C1 1829232792 WSMHMOFDCDPLIU-VGSWGCGISA-N 465.572 0.766 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=S)NCC)CCN2C(=O)OCc1ccccc1 1829244683 ZCPQELZOAIZXNI-HSZRJFAPSA-N 471.583 0.556 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cc3ncccn3)C2)C1 1829330927 TZJUHRMEGQLGIV-RUZDIDTESA-N 491.504 0.559 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1829351239 IWNIENKOZJXABG-YCRPNKLZSA-N 463.560 0.425 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632186 SQPUFPSBNFZVIW-KOSHJBKYSA-N 471.558 0.655 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)CC2=O)c1 1829637904 SFYIGVJGEKIBLQ-UZUQRXQVSA-N 456.499 0.418 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)cc1 1829902742 ZNDULGPJGAHIBM-DEOSSOPVSA-N 476.493 0.619 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460972 ZJDCLEUKEWCCHQ-MHECFPHRSA-N 471.558 0.655 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)CCO2)C1 1830747761 NDUMCWJFQAKLRU-PDGNJTGUSA-N 491.585 0.879 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccnc1)CCO2 1830987021 ISVRDMRDPJVVIV-WMZHIEFXSA-N 458.515 0.737 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(N(C)C)c3)C2)C1 1831397310 QNIXQZBNTJAJGW-UUOWRZLLSA-N 459.543 0.870 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1831406098 UCRFRUCGPMDQSM-HSZRJFAPSA-N 457.531 0.871 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831432601 BZNLFTWWHAGZMP-JKDBKWGBSA-N 469.538 0.944 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC)N(CC)CC)CCO2 1831658403 FCHBZMJXPAGKKQ-XYTVPYNESA-N 450.580 0.422 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1831998987 VYTLJIFEJFEKAG-HXOBKFHXSA-N 477.562 0.960 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4sccn34)CC2)CC1 1833074982 JYFBTYUQDGZUAC-ARJAWSKDSA-N 498.609 0.800 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834168522 PZBCSFCTKFCKDZ-FDDCHVKYSA-N 477.562 0.960 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834738460 GRXHZJJSFVUCDA-FQEVSTJZSA-N 470.574 0.101 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1 1835351352 UMCVOJGVHXUWND-QHCPKHFHSA-N 475.567 0.783 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)ccc1F 1835448694 VOGYXAZFPNNGLD-XMMPIXPASA-N 474.533 0.419 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1835681406 VOERAZCJRRAGAD-SXBBHYFQSA-N 488.541 0.555 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cccn2)CCO3)c(C#N)c1 1836172362 PYURQXYZYYIUQO-HSZRJFAPSA-N 453.499 0.462 30 20 JCED Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)c1 1836203979 VKTCHDPBGHICHI-QHCPKHFHSA-N 453.499 0.599 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(cnn3C)c1OCC)CCO2 1836378632 ROAJKPQBKFYVAP-HSZRJFAPSA-N 455.515 0.850 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1837405703 ZKAUEJVBAJBZBB-RIIXHCOCSA-N 476.526 0.846 30 20 JCED Nc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)s1 1837526091 BLHWKIJKBCMKRZ-OEPFNZMGSA-N 453.521 0.324 30 20 JCED CCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527848 YBADOGCLCPZMHW-XGVOGHQPSA-N 450.492 0.836 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1837531736 VNMUWSQHSYBLFM-HYBPMGLISA-N 468.457 0.959 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837564265 FAJHOAHEGKUNKM-DBNSOCDESA-N 456.455 0.592 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1)c1ccccc1 1837612323 CEBAFJRSMLJHDA-OTPAQWSUSA-N 453.539 0.919 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)n1ccccc1=O 1837681149 SRMVUTKVYXFUTE-DFBJGRDBSA-N 464.522 0.980 30 20 JCED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)n1cnnn1 1838404776 WEIVSXYBZRPPSQ-VUISEMPFSA-N 463.539 0.762 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c1Cl 1838595896 IREHEZLCBOUDCP-LJQANCHMSA-N 451.936 0.908 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1Cl 1838598136 RGJLSRLIOPVCOJ-JOCHJYFZSA-N 487.900 0.856 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)CCO2 1838758511 QJNSQHIOEOBOID-QFIPXVFZSA-N 463.535 0.613 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838765435 GYSRUMDVHHGPBZ-HXUWFJFHSA-N 485.463 0.592 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccc1Br 1839026586 JYTMAGZFOLQWGN-FQEVSTJZSA-N 465.300 0.916 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(C)=O)c1ccc(F)cc1)CCO2 1839037842 ZXKRHPWIXWNPBH-CODAWKSHSA-N 475.517 0.498 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(N4CCN(C)CC4)CC2)CCO3)c1 1839107505 MXFYXGONWNMRGQ-VWLOTQADSA-N 481.597 0.717 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839130490 BLGKCGZLXQLTPK-UUOWRZLLSA-N 491.541 0.228 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1840159270 ZYCWHODGZWGVOH-VLIAUNLRSA-N 451.570 0.838 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)CCO2)C1 1840866811 DPOROEXWZZNKOQ-KOSHJBKYSA-N 479.574 0.738 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1840908833 IIIOVIDMIDTNME-DDOIHHOZSA-N 465.547 0.130 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1841298871 XHFQZRZNYXNUDV-XJOWSZAISA-N 454.524 0.604 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)CC1 1843838348 VAQSALYIEOBSFY-UHFFFAOYSA-N 470.555 0.923 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844303604 OZQPLLYIUYBRJD-IIYXNSHBSA-N 481.550 0.488 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1=O 23840649 AMTOKMCCLJSWGN-UHFFFAOYSA-N 475.571 0.125 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)nnc12 109046990 AZIFOJPERPLOTK-AWEZNQCLSA-N 476.584 0.863 30 20 JCED C[C@@](C#N)(NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C1CC1 484746475 HJUBQRLLXBUHHV-QFIPXVFZSA-N 477.587 0.764 30 20 JCED CCc1ccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccnn3C)c2=O)cc1 502057665 MRTDBBKYVPVYAF-UHFFFAOYSA-N 451.552 0.851 30 20 JCED Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cscn3)c2=O)c1 520106405 LLYZFBUSNCNYMB-UHFFFAOYSA-N 499.593 0.755 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1F 589160280 PAQMTUPOUUEXTP-UHFFFAOYSA-N 481.571 0.725 30 20 JCED CN(CC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 603586680 XLKGJRRKDURKOA-NRFANRHFSA-N 455.540 0.550 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CCS(C)(=O)=O 729672752 GTNJWHULZJZDLT-UHFFFAOYSA-N 497.602 0.441 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OCC(=O)O)cc3)CC2)cc1 914874272 UYOKBXSPYVLXHB-UHFFFAOYSA-N 465.509 0.717 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1503840428 WIJULCAKTANEBD-UHFFFAOYSA-N 487.586 0.869 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1547781386 OUEURZVQCCIUKO-GOSISDBHSA-N 457.560 0.861 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1611684301 JMMSIHDDNQXHMT-AWEZNQCLSA-N 458.610 0.986 30 20 JCED Cc1ccccc1OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1612315672 IYJKWUNZZSUNTA-HKUYNNGSSA-N 476.559 0.727 30 20 JCED CCN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1615090350 OGOFQUCFMNIJIQ-UHFFFAOYSA-N 474.529 0.997 30 20 JCED COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1619323155 YUEBAYBPIFPZOQ-LJQANCHMSA-N 456.503 0.843 30 20 JCED CCN1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1695843668 RRUQROKXGULULH-MSOLQXFVSA-N 451.597 0.835 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 1722795515 JEHMJZKSUHLXFM-OAQYLSRUSA-N 485.614 0.994 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1=O 1771136029 JCLVIUNDOXSPJC-UHFFFAOYSA-N 480.573 0.276 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](COC)NC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1779318804 NWBURAJGHUOLIS-JXQFQVJHSA-N 494.589 0.533 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/C(=O)NCc2ccco2)C1 1779491682 RMSZHIGFUXHYHC-SFNCVOPMSA-N 484.553 0.824 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)CCO3)C2)c1 1780333732 BNOOXEYFCGVTAF-JOCHJYFZSA-N 463.454 0.636 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N2CCN(C)CC2)C1 1780639039 WBUJOSFJCHWKIW-UECWXEIQSA-N 450.624 0.709 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4CNC(=O)C4)CCO3)C2)CC1 1781170251 YMZPJJAVMTTWNH-BXKMTCNYSA-N 489.573 0.493 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)C2)C1 1783495199 SHBCJQMLHAXAQL-ZBSGDCQRSA-N 491.585 0.879 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1783678863 BFPIDUOBAQRJPW-VWLOTQADSA-N 489.569 0.627 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)CCO2)C1 1783895659 YUNNCVVYYAOCNV-LHSJRXKWSA-N 480.591 0.791 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783913485 PWKNIQRMJQPGOG-MLCQCVOFSA-N 485.537 0.965 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1784478678 FNUIXUIAVJIBOB-IWFBPKFRSA-N 483.569 0.040 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785245767 QKGWFOAGVUKQSI-KKSFZXQISA-N 483.612 0.469 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1788660271 FTXCKCOBGCEBCA-RNLPRKSYSA-N 474.440 0.946 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnncc4C(=O)O)C[C@@H]32)c1 1789258368 HYWYJAKEHWRUTG-GKCIPKSASA-N 465.466 0.962 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1789934351 UTZNUWAVKOIXQR-MTAPDOHYSA-N 495.621 0.714 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1793665359 RACVNAWGHTUGTI-OKYOBFRVSA-N 481.590 0.929 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNCP(=O)(O)O)cc(C(F)(F)F)c1 1795522306 ZDCCFBZANHDFTB-XOIINTDNSA-N 490.375 0.505 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@@H]1Cc2ccccc2CN1 1796327037 AIUDTUINBDFSKH-KHUIQGCPSA-N 451.567 0.989 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c(C#N)c1 1799237586 UENSZHFPGFNHBJ-BBIADKPPSA-N 490.582 0.125 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1799260131 HQQUEIHRUBDPFF-RMFSNUHRSA-N 482.578 0.828 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)c(O)n1 1800281627 WUQUABAJIQTCPJ-VPTLXERWSA-N 497.508 0.879 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC(=O)NCC)C3)N(C(=O)OC(C)(C)C)C1 1801102273 DDNBUWQQLAYNRC-OYSTVDSJSA-N 493.605 0.849 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCN(C)C1)C2 1802126896 CSRHHBBRQQDQHM-KNJMJIDISA-N 462.591 0.834 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1802152083 NERIRGINPFGLDL-CWQOZTLDSA-N 483.606 0.813 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1nc(N)n[nH]1)C2 1804376373 KRHJACAFWDBODK-QKPAOTATSA-N 459.551 0.874 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806079794 IZKCIFWZESTBEA-XLIONFOSSA-N 478.557 0.623 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)cc1 1807943627 GVGCSIJOUQTKFJ-GCJKJVERSA-N 483.492 0.642 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1808439339 MDQODRAKQDWECB-UZLBHIALSA-N 479.497 0.642 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCCNC3=O)[C@@H]1c1cccnc1 1809680401 YWEGJZOZHUWRAR-YRTIDYAOSA-N 491.552 0.590 30 20 JCED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1813046895 PNOKJPFMYXUZCE-GHTZIAJQSA-N 491.552 0.338 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819776813 NQOCDPBZTGHFLB-OWZOOLPCSA-N 452.537 0.591 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)cc1 1825318850 CILMDMYHAVMCFV-QGZVFWFLSA-N 457.556 0.456 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1829260252 KSBVBUQIVBWOSP-HSZRJFAPSA-N 480.481 0.877 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829308034 KJOOTYFRPVZLKT-XDHUDOTRSA-N 484.509 0.051 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNCP(=O)(O)O)C2)C1 1829352428 HMDYAZIJJGSNJG-JOCHJYFZSA-N 494.485 0.739 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829485302 BEZQRFIHKYKDEN-QFIPXVFZSA-N 461.471 0.956 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cccc(C)n1)CCO2 1829717978 KRYZUCSPLLVVIP-QJTOUBETSA-N 454.527 0.718 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cccc3C=O)C2)C1 1829764852 ATHCFOXWBCHNKS-KGPYNAKISA-N 458.515 0.176 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1829765128 HIWISHBMEAHEAC-AMQNAFGZSA-N 454.527 0.511 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830184612 PWOWCXSHRKEJDR-VGOFRKELSA-N 481.571 0.961 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)C2)C1 1831398447 BOJUMCNTPGADDL-HXOBKFHXSA-N 474.514 0.769 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1831951221 ISCCBIDCANUPPT-PIVQEWKSSA-N 462.503 0.689 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccnc2OC)CCO3)c(C#N)c1 1833509541 QAWPYZAZWGEHIV-XMMPIXPASA-N 481.509 0.678 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833614453 GGNLTMCHRNINDH-YADARESESA-N 474.558 0.579 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)c(O)n1 1833698435 HQEPJKZWIGKROO-RUZDIDTESA-N 482.537 0.838 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)CN4CC(=O)NC4=O)CC3)CC2)c1 1833711998 UEJJNQYYYIQHLR-UHFFFAOYSA-N 452.515 0.295 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CN4CC(=O)NC4=O)CC3)CC2)c(Cl)c1 1833713029 UTCVKZOBJHFXRV-UHFFFAOYSA-N 486.960 0.949 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C[C@@H]2OCC[C@@H]21 1834769018 VMFMKWLEUCKEKK-RAZUEPIFSA-N 492.573 0.771 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)Cc5ccccc5C4=O)C3)C2)CC1 1835338507 ITXDHSRREDBBOT-RUZDIDTESA-N 480.521 0.362 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338587 MRBHOZUFXZUICA-AOMKIAJQSA-N 466.535 0.022 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccccc4C(=O)OCCO)C3)C2)CC1 1835345148 FVACMOSSLFPBCJ-HSZRJFAPSA-N 457.483 0.209 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835345893 IQVWJWKTKLTHQK-OPAMFIHVSA-N 466.535 0.022 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346526 FQRFUGONVZBDFN-VXEMUYFQSA-N 474.558 0.859 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349463 DZSZILFJCBKSCO-SBUREZEXSA-N 460.531 0.663 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nnc(Br)n4c3)C2)C1 1835354055 LOCLYSMHCXYOFX-IBGZPJMESA-N 477.319 0.866 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1)c1ccccc1 1835636613 UNMHKGIFGDLLGA-SQJMNOBHSA-N 467.570 0.480 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1835682240 CVYDYZPJJNNCIU-VWLOTQADSA-N 483.569 0.923 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1836033979 LJBGUEAWTBYILN-RKTCWTLSSA-N 464.494 0.749 30 20 JCED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836321812 KVAFTKUQTSXVMD-NRFANRHFSA-N 497.474 0.814 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837243066 NWBAHWLWUGTYMM-NHRFMIRVSA-N 477.583 0.724 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1)c1ccccc1 1837274874 VBTDLWLOYGIUQS-NLFFAJNJSA-N 480.569 0.973 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1837396316 FSJXUQRVGCEAIZ-NLFFAJNJSA-N 488.585 0.561 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1837529686 BNZFCFUWCIOLCX-GIFRWZEPSA-N 477.518 0.265 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837559834 ARNCFLCNGQJYDH-HPTBBYBNSA-N 489.550 0.872 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837728075 SENQRCLTWYWZPJ-URXFXBBRSA-N 472.542 0.098 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1837869153 BKQNUSRLNOQHGC-UHFFFAOYSA-N 474.562 0.841 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc(O)[nH]4)CCO3)C2)c(C(F)(F)F)n1 1838065763 FEWYEDDWEQYSAG-LJQANCHMSA-N 480.403 0.785 30 20 JCED C=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CN)CC3)CC2)N(C(=O)OC(C)(C)C)C1 1838075176 XKQNWBXONAKFHY-PMACEKPBSA-N 479.622 0.837 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1838358237 ROUYYPNXPGPRLB-BTVXTAIASA-N 464.519 0.762 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5ncccn45)C3)C2)c1 1838581890 UTCFMFOPBVYLMQ-DEOSSOPVSA-N 476.493 0.993 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(C#N)cc5)CCO4)C3)c(C)n2n1 1838950785 DPULVTLTOAGBGB-XMMPIXPASA-N 475.509 0.997 30 20 JCED CC(C)(C)OC(=O)C(C)(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839032827 UWYWDIAOYZDPPS-JOCHJYFZSA-N 452.504 0.289 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)Cc5ccc(F)c(C#N)c5)C4)C3)CC2)CC1 1839107426 JLKYNGLJIPPMOF-VWLOTQADSA-N 499.587 0.476 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1839225704 QYRCMGFDNQTBIZ-VGOFRKELSA-N 458.519 0.909 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)c1 1839419803 VMCXVGJNNHHFFG-DEOSSOPVSA-N 483.500 0.916 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488218 FAPGEWZHPJPEAV-CMJOXMDJSA-N 483.529 0.212 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1c[nH]c3ccc(F)cc13)CCO2 1840079532 HSDLCHDXFUWZIK-HSZRJFAPSA-N 457.458 0.784 30 20 JCED NC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1 1840647692 IOUJUIBENNHEST-HBAGGBEISA-N 457.531 0.327 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)C(C)(C)C 1840818730 UNIADMXQWSBVGI-WIOPSUGQSA-N 486.569 0.944 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1840820549 WBENUBWSHDFRTF-ATIYNZHBSA-N 479.533 0.997 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)C(C)(C)C)C2)C1 1840907158 PUWXBSDZWBXNNU-HOOSLVGPSA-N 481.590 0.766 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1840909369 RZROYQFZQZIZJA-QFWMQHCXSA-N 478.590 0.502 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2 1841055151 ZNEJMEVTSLHMJS-YUQDSPFASA-N 452.555 0.949 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cscn1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197235 IZYOSQXLPJLGSB-OAHLLOKOSA-N 462.528 0.870 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncn2nc(N3CCOCC3)ccc12 1847803245 UBWIETWRXODNTG-SQNIBIBYSA-N 452.515 0.420 30 20 JCED CN(CC(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1 25535785 KACYUCZWCZNHJA-NRFANRHFSA-N 484.534 0.832 30 20 JCED Cc1cc(NC(=O)CN2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)no1 25756733 MRVHUZAWRHZFAE-UHFFFAOYSA-N 460.516 0.258 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 107926480 AKONUAYMUMYTJT-UHFFFAOYSA-N 454.552 0.934 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2c(F)cccc2Cl)c1=O 480155435 MVTUKJKSNJTLMO-UHFFFAOYSA-N 464.950 0.674 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2OC)c1=O 489194235 HINUWWGSYZXFIT-UHFFFAOYSA-N 470.595 0.670 30 20 JCED C=CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H]1CCS(=O)(=O)C1 512067532 LSBWENQQKSCHLW-SFHVURJKSA-N 455.602 0.503 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccccc1 515685905 QOOOFXKTFWHKJB-UHFFFAOYSA-N 463.515 0.936 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)cn1 523182512 PJCKXCJVCYSHGG-AWEZNQCLSA-N 482.522 0.678 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc3c(c2)CCO3)c1=O 523733992 HMEQNNHYHBJAQT-UHFFFAOYSA-N 457.552 0.537 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OCCC)c2)c1=O 603986255 QPDRIVYWDGGDCR-UHFFFAOYSA-N 482.606 0.836 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(C)(C)CN(C)C)c1=O 608912383 VPHMAZWPAYBFGH-UHFFFAOYSA-N 484.622 0.868 30 20 JCED Cc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)s1 726577332 OGPHFYPFGWNJTE-UHFFFAOYSA-N 451.533 0.545 30 20 JCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 726995757 BYOKXMGGCLVWKY-YOEHRIQHSA-N 471.495 0.261 30 20 JCED COc1cccc(NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 749274196 CDAQFFCNULWPIB-UHFFFAOYSA-N 474.495 0.485 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 1359474119 NOTOOPPIJXDNKC-ZWKOTPCHSA-N 482.655 0.233 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1503376744 RIAGBACXAUZYNS-QHCPKHFHSA-N 485.614 0.807 30 20 JCED COCCN1C[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 1504898725 WDZBFHWMOPFSEN-LJQANCHMSA-N 495.588 0.504 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1509701472 ZZKWMISIMACMSO-YESZJQIVSA-N 459.530 0.491 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552382511 SIMBYDJFYDXEIU-IBGZPJMESA-N 454.560 0.933 30 20 JCED CS(=O)(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1620162138 IQHCPIPMYWTUSP-QGZVFWFLSA-N 457.560 0.862 30 20 JCED CC1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1693714757 UWFYUSPZQOFXKL-QYZOEREBSA-N 481.623 0.460 30 20 JCED CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1722823673 SLKCGYKRZMKZSA-UHFFFAOYSA-N 457.560 0.957 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3C[C@@H]3C)CC2)c1C#N 1725865022 UZJYGYDJZOHJFR-CWRNSKLLSA-N 461.596 0.785 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CCO1 1760668784 QWQNCTTZWMTVDO-LAUBAEHRSA-N 453.547 0.879 30 20 JCED COC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1770755884 IWUFKOBWVMRJEZ-MNEFBYGVSA-N 478.575 0.999 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1778806562 IOIGHOWXWBRMHO-SBUREZEXSA-N 493.609 0.667 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1779017460 PWHOAAZCANRRDI-YQNSVDCASA-N 477.587 0.541 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779099341 UHJMRGFTPMEEAM-GXUUQLOHSA-N 484.550 0.231 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104026 ATXAEQGUYZZJQR-ZSAYXXNMSA-N 498.577 0.621 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1779398015 CMBUDJSVVYQGAC-OXQOHEQNSA-N 473.492 0.877 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2cnccn2)C1 1779473101 IWCPZOANCBUTTP-MOKWFATOSA-N 474.562 0.910 30 20 JCED CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781196686 BETHUFOUEYOUHC-QXATTWAWSA-N 451.520 0.844 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1781268548 SCIMXPUSSBYQIQ-XFAGBWLFSA-N 495.573 0.696 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781339328 CHCFFTBPCAHILF-LPFFWNTMSA-N 481.594 0.564 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)C1 1782256266 UIJPHWYLOVPCBP-HVETUWLQSA-N 450.536 0.786 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1782275164 AAMXGLZLBARCNV-LLBQEJIASA-N 490.601 0.943 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1782469005 UXCSVUKAPHXVBW-OZCSNRKKSA-N 487.605 0.443 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784012437 SSSFFYXKYVWEPU-BJKOFHAPSA-N 495.573 0.698 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C[C@@H]21 1784482924 VULWOHKBKAPWGT-UHMOLFJZSA-N 463.556 0.258 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786725466 RGLLSQLNEVZCET-MUGJNUQGSA-N 478.590 0.215 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1)c1ccc(O)cc1 1786900136 YKHSFNXSORYFMD-NQOGSSOHSA-N 471.554 0.932 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnn3)[C@H]2C1 1787126785 PGVVTOPVDMZJEZ-FJIDUMEYSA-N 460.535 0.174 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3c(=O)n(C)c4ccccc43)[C@H]2C1 1788139347 CKPZHTWKWFKMHR-IDPBPBMLSA-N 470.570 0.893 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]32)c1 1789259126 JUNGCHWDTLZKET-HTIQSUCMSA-N 459.499 0.776 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4CCN(C)CC4)C[C@@H]32)c(C#N)c1 1789839685 WCDPIXHWJNIFJK-OYDLWJJNSA-N 483.613 0.727 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CN5CCOC5=O)C[C@@H]43)c2c1 1790327850 CQWUZYBHLLRDNO-ZVZYQTTQSA-N 452.471 0.480 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1793355524 KCQXQVVYHHWUBH-QSNWEANLSA-N 469.542 0.674 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(CO)on2)C3)c(C(F)(F)F)n1 1795999255 FZCSGXXSRAXGSU-CULMDFNYSA-N 465.388 0.969 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796784745 XLCDESIXEYXLLA-HGJUEJDCSA-N 484.601 0.918 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O)c1ccc(O)cc1 1797972404 ZGYUXXRDEXFKEK-KKYITRMCSA-N 471.554 0.630 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)N2CCOCC2)N(C(=O)OC(C)(C)C)C1 1798492392 YOYRECUEXXLZPP-FIRLOTFOSA-N 478.590 0.841 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798859433 ULJBUMNEKINYSP-RDGPPVDQSA-N 458.515 0.647 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1799320328 DXUYSRZIZNYQPE-NRUGXNMXSA-N 466.579 0.947 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(=O)Nc3cccnc3)C4)c2c1 1799884349 SQYFZJLRZJCWTE-CCWDJLKJSA-N 459.466 0.671 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O 1800528522 UEODSPBRYOCTBJ-MWTISTBLSA-N 452.552 0.570 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801435589 RPEZSQBMGRWCKG-UHDSXZAQSA-N 463.539 0.293 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)[C@H]1c1cccnc1 1802499901 VUPBBSPKQNNNCJ-PBKRUMOBSA-N 458.515 0.562 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1804189151 ZFENUTKWXVOKCH-RCMSRTDESA-N 455.519 0.111 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804193986 GPZBZHDFOYDHHS-SVFBPWRDSA-N 478.615 0.391 30 20 JCED Cc1cn2c(=O)c(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cnc2s1 1809398736 XLRMIMSTFOQYLC-DNVCBOLYSA-N 465.491 0.867 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1812878366 UTYFIEHZJICZCZ-DCXXXQMHSA-N 486.525 0.403 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816785 UPXTWRWFFPPVLH-RISCZKNCSA-N 456.467 0.643 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)[C@@H](O)C1 1822202695 ZRJVYKCIEWGCQK-IMJJTQAJSA-N 475.502 0.718 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1822922290 GWHZIUGDKQUOML-NSHDSACASA-N 471.499 0.609 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(=O)N(C)C)C2)C1 1828580059 MYKDNIIEDURJJD-DFBJGRDBSA-N 484.553 0.565 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCN2C(=O)OCc1ccccc1 1828647527 HPUIZLSHBIDWPA-DEOSSOPVSA-N 477.477 0.874 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCN2C(=O)OCc1ccccc1 1829231245 AFRADATUHZQLTR-JOCHJYFZSA-N 451.487 0.644 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCN2C(=O)OCc1ccccc1 1829261532 SSPXVPOFYAXECV-AUSIDOKSSA-N 488.566 0.929 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)cc1 1829902064 GZUHENLNSHRJIL-DEOSSOPVSA-N 450.495 0.419 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)C(C)C)CCO2)C1 1830876288 OARIGGSBNYWILL-STSQHVNTSA-N 469.579 0.929 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(C)(C)C 1831088435 HSSFDFWXZIUMTD-SQJMNOBHSA-N 477.602 0.692 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1831399650 YTPBBBYCTLDFMG-LHSJRXKWSA-N 452.891 0.860 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1831402763 QXLNNMRZOXVZKZ-JTSKRJEESA-N 453.536 0.396 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831425951 XVSXQHYLRAQFKH-JXQFQVJHSA-N 497.589 0.670 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1831426431 LOBPUAHUCKLXPQ-JPYJTQIMSA-N 455.515 0.928 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1831435556 UVKIYGIMRLQMTR-STSQHVNTSA-N 485.578 0.310 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn3C)C2)C1 1831998160 KGZSPCVGWHRGKM-HXOBKFHXSA-N 477.562 0.960 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833126231 VCWIRXGGRFWHFU-NTKDMRAZSA-N 487.557 0.392 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSCC(=O)OC)C3)C2)c(O)n1 1833695661 FQINAJGJTZULJR-HSZRJFAPSA-N 493.582 0.882 30 20 JCED Cc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834066305 OFRHYGFEJMUHOD-UWDDZFTESA-N 450.492 0.890 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834716140 GFRBFCGLJJUGLS-GOSISDBHSA-N 458.611 0.768 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834755498 DUKLVFWPOMTTGY-LAUBAEHRSA-N 464.544 0.032 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CN)CCO2)C1 1835551353 HAKSYRTUIJERJO-AUSIDOKSSA-N 460.531 0.273 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cc2C1 1835682477 KWLYBWAKVMUEIV-XMMPIXPASA-N 487.605 0.070 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835769231 OGQZTESBSALHSN-MTAMYTDCSA-N 483.566 0.152 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835793637 HXNJJRLXSLKSPJ-SFHVURJKSA-N 498.632 0.448 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1837399517 VRUAWZOBYHZISZ-SHNIVAPPSA-N 475.542 0.482 30 20 JCED COc1cccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837440857 BOIWTBRERHTYCO-RBWLTTHTSA-N 473.574 0.951 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccccc1=O 1837691282 LCABYQPMIAIKLG-NSYGIPOTSA-N 490.520 0.927 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(-c4ccncn4)noc3C)CCO2)C1 1838491033 SHFAJDYHNMCQKD-UZUQRXQVSA-N 469.498 0.548 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2)C(F)(F)F 1838503425 VGXGHHXRRWBENH-LJQANCHMSA-N 467.404 0.278 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595714 ZCWWCYQEPOXFOZ-VFNWGFHPSA-N 483.974 0.962 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C4\C(=O)Nc5ccccc54)C3)C2)c1 1838737152 KMCGOIHSLSUKHT-BVJONSBASA-N 461.478 0.992 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)Nc3ccc(F)cc3)CCO2)C1 1839029691 ZBUQUNVSJRMSKV-XMMPIXPASA-N 489.548 0.893 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)s1 1839034636 SYDAJDLMASMCAV-QHCPKHFHSA-N 492.598 0.815 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5ncccc5n4)C3)C2)c(C#N)c1 1839132715 NHPPGTPIMBHNKO-RUZDIDTESA-N 490.520 0.922 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccc(C)c13)CCO2 1839610157 YHXKTFWUTVYISV-POUSAUBHSA-N 467.526 0.571 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839636313 KRVRGLMAOTXCIY-STWLZBDKSA-N 470.570 0.782 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)cc1 1839651564 AMAQFVBACZNCJZ-DEOSSOPVSA-N 465.510 0.951 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839716566 QDCSZFUNLQOJSN-DVECYGJZSA-N 489.573 0.565 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839772000 LTFIZCACONBXPZ-FSTVOOFJSA-N 453.511 0.717 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H]3CCCS3(=O)=O)CCO4)c2c1 1839784615 SITUSSGPHURODI-GCJKJVERSA-N 487.538 0.082 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C2)C1 1839810668 LLAHWNPQOOASED-FQEVSTJZSA-N 469.947 0.098 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)cc1C#N 1839875480 YVJACVLDAOFQFT-NTKDMRAZSA-N 470.526 0.552 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1840026738 UJAYPIQIPWBFMS-PMAPCBKXSA-N 467.563 0.520 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCCO3)C2)C1 1840160594 MFEYIFGLHKGVKP-DRSNIGMVSA-N 487.619 0.787 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1840219508 QDNQECPEUHKRME-DNQXCXABSA-N 492.573 0.509 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1)c1ccc(O)cc1 1840220980 MUPWWOCNEDTONX-DFBJGRDBSA-N 496.568 0.679 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)C1(O)CCC1 1840818049 HQWNROUIXCPDBU-FDDCHVKYSA-N 457.527 0.945 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840895769 KVMFNIODUASSJR-GOSISDBHSA-N 459.615 0.222 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)CCO2 1840902147 GREYJVURTUMFKW-KBMIEXCESA-N 487.553 0.771 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1840907101 PEPJTVHZWJRUKJ-PDOGEWKWSA-N 491.541 0.686 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C1)C2 1840917054 WUQXFKLNVLHYFV-KKFFFLSNSA-N 491.541 0.319 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235172 GTRZDZLHYSJPDS-AWEZNQCLSA-N 486.533 0.489 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCCC12CN(C(=O)[C@H](C)S)C2)C(C)C 1845248564 XHLHQFJAJASYBN-JYJNAYRXSA-N 454.593 0.880 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CCNC(=O)COc2ccc3scnc3c2)C1 1845829149 DURUEIKVCDJFAX-UHFFFAOYSA-N 470.507 0.473 30 20 JCED COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O 11263018 HWZQSUOZCCWZAK-UHFFFAOYSA-N 461.500 0.241 30 20 JCED C=CCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 520926130 ORJKSIYCSRQOSH-WDYCEAGBSA-N 458.544 0.774 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccc(C(=O)OC)cc3)c2=O)cn1 522382377 SUFGFZHORUWVKP-UHFFFAOYSA-N 465.535 0.930 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCNS(C)(=O)=O 524281041 CQBGBRHDPJYLGI-AWEZNQCLSA-N 475.592 0.512 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O 609074358 CVDNONNJLJAEHC-UHFFFAOYSA-N 454.430 0.323 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)C1=O 726043100 PPVUSUXTDUNORU-INIZCTEOSA-N 459.455 0.887 30 20 JCED COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 726726623 SPYZUBTXPSPBMT-JRCVOMKHSA-N 465.532 0.785 30 20 JCED COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 745536082 YCGJEIGKDHAHSM-CXUHLZMHSA-N 453.498 0.360 30 20 JCED CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918261157 PLWOKXYUZUFDTN-XWFHWFJUSA-N 478.619 0.580 30 20 JCED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918303729 QRXSTTJUXYNEDH-NCELDCMTSA-N 492.602 0.107 30 20 JCED COc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 1210758853 MOIDBZBUFGIOES-CYBMUJFWSA-N 450.970 0.991 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCCc1ccccc1 1288826099 OOMXNYPVUBOZSV-YWZLYKJASA-N 463.539 0.689 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCSC2)CC1 1288986318 RRCCXIYROMTKCV-KXBFYZLASA-N 470.621 0.609 30 20 JCED COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c(OC)c1 1300040954 IFBNYIFWQAATII-UXHICEINSA-N 465.507 0.954 30 20 JCED Cn1ncc2c(N3CCN(C(=O)COC(=O)[C@@H]4CC(=O)N(c5ccc(C#N)cc5)C4)CC3)ncnc21 1327352911 GSNFKWMEHNPKRR-QGZVFWFLSA-N 488.508 0.480 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 1443147978 LJNWWTYAGYOKIL-MRXNPFEDSA-N 457.556 0.833 30 20 JCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1516966413 PPCKMBVSJYKVRJ-UHFFFAOYSA-N 475.575 0.725 30 20 JCED N#Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)C2)nc1 1645927060 WTJJZOJZPYSKGK-LJQANCHMSA-N 455.540 0.939 30 20 JCED CS(=O)(=O)c1ccc(OCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1698301361 VLTXDHKNTNASBO-KRWDZBQOSA-N 474.543 0.725 30 20 JCED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1731008913 NESORFGJPSCGEI-UHFFFAOYSA-N 467.573 0.787 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCn1cc(Cl)cn1 1751231468 SXCAYNPRINCSCK-XJKSGUPXSA-N 467.987 0.615 30 20 JCED C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1752445724 GIQLPWFIRLWUGY-KOSHJBKYSA-N 483.573 0.479 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1761467258 XDKOCBVZKVNEMX-AWEZNQCLSA-N 455.548 0.982 30 20 JCED CN(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1768481185 YQGHZCOOILOYSM-XUVXKRRUSA-N 495.650 0.850 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1)NC(=O)OC(C)(C)C 1778268204 VSBVGKBGZBDXMR-NBGIEHNGSA-N 493.649 0.923 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1)c1cccs1 1778380413 SXSMMTMDDJQPPJ-OIUIXCLQSA-N 483.550 0.961 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1779357448 NDEIYWMMNIJHQS-OAQYLSRUSA-N 451.474 0.969 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1 1780089416 VOMHBWBROSUKPM-NTKDMRAZSA-N 491.508 0.739 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780698843 SNDYUMQILRIQSE-NFBKMPQASA-N 450.499 0.472 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1)N1CCN(C)CC1 1781093674 CARNVIIZXJMEQC-AVMAXUKXSA-N 460.600 0.953 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)ccc1Br 1781902188 CHPMTVKHABDJGC-UZLBHIALSA-N 478.347 0.357 30 20 JCED COc1cccc(N2C[C@@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)CC2=O)c1 1783445884 NQAHJXYUTCEKSD-FVCZOJIISA-N 469.494 0.116 30 20 JCED C[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783521103 PJPVFKWXGPPTLP-KSFYIVLOSA-N 450.536 0.738 30 20 JCED Cn1ccc(N(CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)Cc2ccccc2)n1 1783565526 MJVYHODCFZVTMO-VWLOTQADSA-N 479.537 0.735 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783868901 LHCZSBLKNRPYOC-SEPYTNNBSA-N 463.531 0.988 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784263143 LWZKFMBHSOIJFT-KBJGYGKASA-N 466.535 0.642 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789881340 JUYHUZZXFXLWGI-FKSLSLAPSA-N 466.579 0.960 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1789892225 IWJAKWXOADQRFA-DKIMLUQUSA-N 450.561 0.502 30 20 JCED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccc(O)nn4)C[C@@H]32)cc1 1790145076 FYZDVZNVHGPASW-FHWLQOOXSA-N 451.483 0.921 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078866 BZTICCCUPOQILQ-VJANTYMQSA-N 475.542 0.751 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792110993 VIIHFZOKAZITAH-QAETUUGQSA-N 467.567 0.494 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@H](C)C#N)c1)C2 1793316210 HKZZCTRCZWIFBP-RNEXODBNSA-N 462.572 0.845 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793431915 BLSOZEFWLLGGMP-JNIAIEOXSA-N 478.590 0.784 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)cc1 1794112306 NUDYGECWOGZMGJ-PDOICOKGSA-N 463.494 0.768 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)cn1 1794994155 SDXFUSDPNFYPFK-QXGSTGNESA-N 458.515 0.907 30 20 JCED COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1796586700 OWESJYWHBKTNTC-OPMZPASUSA-N 455.490 0.986 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C/N=C/c3ccco3)C4)ccc21 1796982689 BWONUQWIRNICRH-QPWJBTDASA-N 465.510 0.792 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)[C@H](O)C1 1797309452 BBXDPBDJMTXEBR-CQVUMHHCSA-N 475.586 0.997 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@H]1ON=C(c2ccccc2)O1 1797643534 OGJFAHNWHSACEK-YEWNCCTLSA-N 455.515 0.782 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(C)=O)C2 1797669542 VWEGGPXEHCSHNU-YYIAUSFCSA-N 454.524 0.401 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1798399488 XWOVWZOQFBCSSU-QEOTZNIISA-N 466.579 0.966 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)nc2O)C3)c(C#N)c1 1799237285 FYLUGQATAXCQKX-CCWDJLKJSA-N 453.455 0.214 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)ccc1Br 1799710304 OQDYAGRGANQJLB-ZSBFGKGUSA-N 488.346 0.857 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CCN2C(=O)Cc3ccccc3C2=O)[C@H]1c1cccnc1 1803215545 MODJQNZWFGTJLL-KBMIEXCESA-N 488.500 0.791 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CC2)C1 1804857992 CVIMKLQXEMQICN-QULHZPMSSA-N 464.563 0.919 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1810101528 SSGJLZZSUJVZFY-YQVWRLOYSA-N 460.535 0.434 30 20 JCED C[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1822379853 ODGZMWDXOZNYBL-DGCLKSJQSA-N 474.547 0.167 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)c(C#N)c1 1822808036 SKKUWXYNYYDDNQ-GDBMZVCRSA-N 470.555 0.771 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825666900 DZXZXLHXPRSIME-YDHLFZDLSA-N 492.554 0.761 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671608 KFKSYGGTWJMCSX-UZRORNOBSA-N 492.554 0.904 30 20 JCED CC(C)[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828584456 JDZDBDSFQJLOHG-YDHSSHFGSA-N 477.631 0.679 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCOCC1)CCN2C(=O)OCc1ccccc1 1828930814 PYRSCXVHXKJAQZ-XMMPIXPASA-N 469.542 0.684 30 20 JCED C/C(=C/C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)C(=O)O 1829335304 ZREMUAVZMUEUOC-LJSORYGZSA-N 483.477 0.557 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1829461385 WHGACSMBVKENID-CJFMBICVSA-N 484.553 0.915 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncsc3Br)C2)C1 1829766168 OBYODFKLROLYSR-LLHWWHOWSA-N 499.387 0.834 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c(C#N)c1 1829956510 NYRCLDUMVNHLGG-HOYKHHGWSA-N 470.526 0.092 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1830054274 JQCJVXAIIWPAFI-NRFANRHFSA-N 464.544 0.246 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnc3ccccn13)CCO2 1830661148 CNNLAFFWERVYLM-CPDZXGBDSA-N 485.541 0.862 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)cc1C#N 1831023843 STWSQZGQMJKMHI-XMMPIXPASA-N 486.525 0.868 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCOCC1)CCO2 1831109363 AZZDEEBEYCTHQP-HSZRJFAPSA-N 465.547 0.398 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)CCO2)C1 1831141229 FDHUVRKPKNFDRV-VFNWGFHPSA-N 455.577 0.938 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1831998662 QHSURBMOLHFGIH-SBUREZEXSA-N 483.562 0.865 30 20 JCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1)C(F)(F)F 1832880192 BDUXIUOAFUGTNQ-IBGZPJMESA-N 458.437 0.710 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833162068 IKZZTAHWDYJCNL-HOYKHHGWSA-N 489.573 0.945 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)NC(=O)NCC)C3)C2)c(O)n1 1833699784 CNCFCJWUXSPSLF-XDHUDOTRSA-N 489.573 0.683 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c([N+](=O)[O-])cc1O 1835345278 INJDQHOYXOZGQZ-NRFANRHFSA-N 460.443 0.683 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccnc4c3)C2)C1 1835676796 ASCSEIPOBZIIES-DEOSSOPVSA-N 466.542 0.982 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835681437 ZDLJVNYOQZVFIG-XMMPIXPASA-N 471.533 0.978 30 20 JCED COC(=O)CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682611 MQXVVJJJNPNYBZ-HSZRJFAPSA-N 466.579 0.848 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835752599 QXLCNIVUTCPAQA-NRFANRHFSA-N 458.603 0.877 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)c(C(F)(F)F)n1 1836320714 KVNAXJCYADWOOJ-IELXDLANSA-N 468.432 0.813 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nc1 1837491448 NKLHQEKUVXTOND-XMMPIXPASA-N 457.527 0.859 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)c(C)n2n1 1837491486 OAGXFYNLBLVYSQ-VWLOTQADSA-N 496.568 0.510 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837496991 SJQHHVWBAAVFDR-ZJSXRUAMSA-N 487.509 0.052 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837525597 XPDXETAREQUNDY-DQFTVGBOSA-N 467.910 0.729 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837528314 GBYKINGTOHNYIR-OXIXXVMCSA-N 472.502 0.328 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1837531307 IOYGMTDWCNGYBX-JMQQFMRHSA-N 451.476 0.371 30 20 JCED COCCOCCOCCOCC(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1 1837637683 HDKYHGZXZFIWCA-UHFFFAOYSA-N 455.552 0.595 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1838382760 ZHIUYDUTDGMTLA-UHFFFAOYSA-N 453.499 0.812 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838604645 CTODHDLVHWXOLC-NRFANRHFSA-N 493.467 0.960 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838621557 UOPNGWFURJPFAT-WMQCIHAUSA-N 492.617 0.624 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)cn2[nH]cnc(=O)c12 1838907187 DOFXMFFBOHIIPK-DEOSSOPVSA-N 476.493 0.587 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F)CCO2 1839176007 PPKJWXHRRNUUOC-OAQYLSRUSA-N 482.459 0.948 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191115 VBQLPHAMHJBOBW-RPWUZVMVSA-N 479.574 0.930 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1839421733 IJMHPVZAIMROGJ-JOCHJYFZSA-N 455.446 0.024 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1)N1CCN(C)CC1 1839424643 UMAHHPQYRFNRMY-UUOWRZLLSA-N 490.004 0.918 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)CCO2)C1 1839726766 GTHWKYSLQFAXPC-WATLYSKOSA-N 470.570 0.628 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1839890267 QTXOITXDTMQRDU-LJQANCHMSA-N 470.429 0.424 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)C[C@H]2C1 1840044295 BWECATRYFYAFQH-DPSWKAHMSA-N 491.541 0.178 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C#N 1840045154 TZWVXKBAYBGGNE-HSZRJFAPSA-N 455.467 0.503 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840055344 PTEOSPNBFDWGJA-KSFYIVLOSA-N 482.534 0.203 30 20 JCED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1840320510 HYTTYIFZVDBTGV-DPZZJQGRSA-N 451.501 0.299 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c(C(F)(F)F)n1 1840607668 VBLFHTATJKDRSP-MXTNKPTQSA-N 480.443 0.934 30 20 JCED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c(=O)[nH]c1C 1840818809 YRLCHNDRWSWOHX-DEOSSOPVSA-N 481.509 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)OCC)C2)C1 1840907423 UYDYLTMNELSDBA-XZWVLRMYSA-N 493.557 0.479 30 20 JCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c(C#N)c1 1845138330 PDMJCOBVWKMJNQ-UHFFFAOYSA-N 460.556 0.043 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195774 BTDPJIRGHCNFEV-OAHLLOKOSA-N 478.502 0.083 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846196951 GEJFJTMVVRQQBL-TXPKVOOTSA-N 461.515 0.550 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncn2nc(N3CCOCC3)ccc12 1847803244 UBWIETWRXODNTG-BZSNNMDCSA-N 452.515 0.420 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522537261 BFPKICIHODYADX-UHFFFAOYSA-N 474.589 0.225 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc([N+](=O)[O-])c3)c2=O)cn1 523858459 LRZWTLPPIFVLQT-UHFFFAOYSA-N 480.506 0.385 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(OCc3ccccc3)c2)c(=O)n1CC(N)=O 550103889 GZYJONXAJXXVKT-UHFFFAOYSA-N 474.542 0.756 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(=O)N(C)C 604269807 CXXNQEQNDWJYHW-UHFFFAOYSA-N 460.531 0.183 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(=O)N(C)C 604270426 ZAKGZCGZWCNZGY-UHFFFAOYSA-N 462.959 0.307 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(OC)ccc1OC 608826894 RBUQQIKTNMMLMF-UHFFFAOYSA-N 497.577 0.696 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727221298 LAGIOJTVYKHILT-BMLIUANNSA-N 453.297 0.879 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 769843408 PLLAGCWYWINCHU-LLVKDONJSA-N 498.439 0.940 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 857836137 LIUHREALPUJHKB-CABCVRRESA-N 493.563 0.668 30 20 JCED C#CCN1CCN(CN2C(=S)N(CCCC)[C@@H]3C=CC(S(=O)(=O)N4CCOCC4)=C[C@@H]32)CC1 914566006 KWGLLOOLLUDSQI-YADHBBJMSA-N 493.699 0.750 30 20 JCED CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 918989659 YJOUVTSSHWEKBO-HNNXBMFYSA-N 477.499 0.422 30 20 JCED CCOCCO[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919621301 ZSMPUAJQKBESLM-INIZCTEOSA-N 453.517 0.376 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1298011485 LEEIYGBMVASFCU-UHFFFAOYSA-N 452.519 0.811 30 20 JCED CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1503836310 JAMGFTGTUHLOKH-UHFFFAOYSA-N 467.559 0.873 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1541674027 MEBMWBHEGIWEKT-GOSISDBHSA-N 486.602 0.834 30 20 JCED CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1620159491 RZYAZJIDGQBWPH-LJQANCHMSA-N 488.570 0.601 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1692854581 RYSRXSYWFAJEPG-TXPKVOOTSA-N 486.620 0.176 30 20 JCED Cn1cc([C@]2(C)CN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)CCO2)cn1 1696850044 TXEGEDIDIIVTLX-NRFANRHFSA-N 470.559 0.851 30 20 JCED CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1728629963 RGTUAUOFOFSDLJ-TZIWHRDSSA-N 471.654 0.866 30 20 JCED COC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1748337675 JCZXKLQLUVOBIZ-ACJLOTCBSA-N 457.532 0.809 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1750214905 WQFKSYFYNCIYTD-ICSRJNTNSA-N 490.586 0.910 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)c(OC)c1 1768531185 KOUTZFLYTJJZRN-MRXNPFEDSA-N 456.503 0.973 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCCO3)C2)C1 1778077422 FOTVSKQQSNGCNH-KHCICDEESA-N 479.574 0.881 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)[C@H]1SC(=N)NC1=O 1779063580 XMCBAQDDDLYEMF-JIGPKXGUSA-N 462.572 0.317 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779358789 DJWYMPRYGWNYHD-BCRUZAQGSA-N 456.609 0.653 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781111871 PEUXFNYPUYIILC-ZHSNQQFMSA-N 467.563 0.635 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1781269198 DEQHDZSCLHQPCX-QHCPKHFHSA-N 455.467 0.774 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1781292176 UKSVAMURYPGXOZ-HRAATJIYSA-N 473.592 0.720 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1781400479 QKIVUWCNPRPCJA-MQNAVGNWSA-N 482.578 0.989 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1782146742 HEQSZXPFHWUQKX-DYRFGFBLSA-N 479.530 0.531 30 20 JCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c(=O)nc1O 1783116429 QXDFMMXIYUPMGV-SRFICAAFSA-N 491.545 0.300 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1788638935 RUNVTXROCFLLMK-OHRYNRGMSA-N 492.550 0.962 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)c4cccnc4)C[C@@H]32)c1 1789256416 LDIPHQRAIHPEPN-NYVOZVTQSA-N 477.521 0.985 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789292990 XIHFNZGTMPBORQ-CUSZFKRNSA-N 475.546 0.833 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1789510475 QIYIEEJOKLRLBP-CAXGVCPASA-N 455.540 0.954 30 20 JCED O=C(Cc1cn2c(nc1=O)SCC2)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1789707941 JPOLECJQOFUJAZ-JBACZVJFSA-N 478.574 0.923 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5n[nH]cc5[N+](=O)[O-])C[C@@H]43)c2c1 1790327510 NTQKIHIZHCCOSA-JDFRZJQESA-N 464.442 0.973 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)CO2)C1 1791022038 IWJNQAWAQUWPQC-XSLAGTTESA-N 491.541 0.080 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791329685 AAIIVRNVDBKAEY-WLNKUXMVSA-N 479.574 0.376 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1792145915 ZBXYKPBSDYQPKS-ZJOUEHCJSA-N 450.495 0.779 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C(/C)C(=O)O)[C@H]2C1 1792170201 LUQGGCGWYADZAP-BUSGVPHVSA-N 463.531 0.914 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)[C@H]2C1 1792224120 VHNVEWZHDGARNW-HVMFNXBNSA-N 495.573 0.461 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncnn3C)C[C@@H]21 1792261978 URMXAYJOBDZSNB-QAETUUGQSA-N 460.535 0.325 30 20 JCED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1795274576 FLPKQYWHPKUGDM-AYMMHLMVSA-N 462.506 0.634 30 20 JCED CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)CC1 1795446641 LUZQCVRUAQMSBG-IRJINJETSA-N 455.559 0.164 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)C2 1795598325 QWFPWKOKEUGNNW-OPMZPASUSA-N 495.580 0.934 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796080174 BLXLDFHHSFBXLQ-VYCZESIESA-N 466.560 0.630 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[S@@](=O)CC 1797611416 SCQSZIAHNBAMQB-XAUFPCHMSA-N 469.604 0.651 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)Nc2cnccn2)c(C#N)c1 1797781429 ZHPCRDGHXCLDKC-JYISGYRJSA-N 464.526 0.990 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 1798691038 BLBOPJLCUFJNCE-JEIKXUOUSA-N 487.557 0.707 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1799305067 MVWRHPMTEJKJTA-CWPLJXCYSA-N 456.499 0.679 30 20 JCED CC(=O)NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800338943 XKDGNUGWFTZWCX-ADYITMSISA-N 483.569 0.595 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1800806554 FYHDZXQYELFXPY-OYNZLANYSA-N 469.604 0.866 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)n2cnnn2)C3)N(C(=O)OC(C)(C)C)C1 1801103134 CTYOMFXHDPNPGA-JCECYMMASA-N 475.550 0.389 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1801244363 PALDKTPGYNGWMS-MVJTYMMSSA-N 474.562 0.985 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC1 1801643734 OUEZXVUGHGPGDH-MHORFTMASA-N 480.562 0.792 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)C2 1801992058 JDKOGFZWYSTWBI-REPLKXPHSA-N 491.541 0.953 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2 1802025322 RAVVPZNVGKYESU-CLWJZODNSA-N 465.547 0.836 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2 1802124612 CGTKBLPURBYZTN-BASYENTBSA-N 459.503 0.302 30 20 JCED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)CCC1 1804115104 YNNBZMVUYSNZDX-BQJWPVKWSA-N 459.572 0.499 30 20 JCED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1807017802 HSQCSOIRPIZQHG-GGPKGHCWSA-N 485.589 0.877 30 20 JCED NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1807189939 HCTZYXYYPPOMKB-WNLGKQKWSA-N 460.535 0.209 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808273974 PIRJITWXQOANGE-XWSJACJDSA-N 458.563 0.290 30 20 JCED C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)[C@H]1c1cccnc1 1812531226 CCURYODBYBVOSZ-JXFKEZNVSA-N 490.524 0.861 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879043 OVFBILOJNAZIQO-BXWFABGCSA-N 460.487 0.061 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCCNC3=O)CC2 1814979961 QGMDGJYUHXXSFH-CYBMUJFWSA-N 484.586 0.981 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)sc2C1 1817244175 WWBFRTKYQLYMSX-CLAQQNSFSA-N 476.584 0.716 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn(C)n3)CCN2C(=O)OCc2ccccc2)C1 1828667187 DVJORROZMWWXFG-DFBJGRDBSA-N 494.552 0.919 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829306393 SQOUEKQZBFPXKY-DYRZZGSRSA-N 496.564 0.613 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(C)cc3)C2)C1 1829765505 YNFRAXQVDNWJTA-XXXZYALBSA-N 457.527 0.689 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904664 RRVFJDVERKVNPF-XUZZJYLKSA-N 487.509 0.052 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CN(C(=O)c3ccccc3OC)C1)CCO2 1830428937 NURNUDYOVFRPLY-XMMPIXPASA-N 457.527 0.800 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](C)S)C4)C3)CC2)ncn1 1830957698 QCOBEFHGXSOAAH-ZHRRBRCNSA-N 479.603 0.476 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCO2 1831110046 BIRVXPRFWACBOG-BWKNWUBXSA-N 453.539 0.905 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccc(OC)c3OC)C2)C1 1831399235 RZFBTSWZLAVBBV-WAIKUNEKSA-N 464.490 0.951 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(c4ccc(F)cn4)CC3)C2)C1 1831402439 YYCYLFHMVYOHSH-DFBJGRDBSA-N 488.560 0.932 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 1831402857 TYXIMGMHCQFQNE-KSFYIVLOSA-N 463.462 0.771 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1831438545 UKTRIBFOEPOQAD-CYFREDJKSA-N 459.543 0.854 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1831490399 BOYNBFHWHVCDMG-DYESRHJHSA-N 465.576 0.041 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1832000266 JWFATXSZIBWJBG-XFAGBWLFSA-N 494.589 0.603 30 20 JCED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CCC1=O 1832381249 ZQGAGCPYDJHBFA-QFIPXVFZSA-N 457.462 0.376 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCc1ccncc1)CCO2 1833053762 HPWLOFUGFHHZSV-POUSAUBHSA-N 456.543 0.719 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1833468234 OMIOTGOURONRDJ-KRWDZBQOSA-N 459.547 0.323 30 20 JCED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)cccc1=O 1833872244 YDBLGSPZTLWBQL-NDEDVSTASA-N 471.535 0.956 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835364297 POEJEJLHXXUOQU-VXKWHMMOSA-N 466.535 0.118 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CC1 1835404899 PUVJCPNVYZRWFU-XMMPIXPASA-N 473.549 0.405 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCNC)CCO2)C1 1835658477 PVKWXNKWXYRULP-WZONZLPQSA-N 468.595 0.912 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)C2)o1 1836022775 QIQNAAUBOCNMNS-HXUWFJFHSA-N 494.430 0.976 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1)c1ccccc1 1836210912 VJFHFKXZSRLREW-QPPBQGQZSA-N 451.527 0.932 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CC)[nH]n3)CCO2)C1 1836282028 NYZMUXMUXCFJGB-MHECFPHRSA-N 489.573 0.959 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)COCCO)CC4)CC3)c2c1 1836410960 ZUZMGYCTKZTOAE-UHFFFAOYSA-N 454.531 0.629 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1836520513 KGUOHBVZUFLFTJ-DPZZJQGRSA-N 470.569 0.378 30 20 JCED N[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1cccnc1 1837442403 XEPMHWOXPLKLCS-BYLPDHQTSA-N 458.563 0.400 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837518831 RLMDZTILSCLLLW-GMAHTHKFSA-N 481.666 0.145 30 20 JCED CC(C)c1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)no1 1837559882 JHPBTUFDZGDIMD-NYNQOQISSA-N 459.503 0.904 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837561265 FFLNKNUIRFNONC-IBYPTGSDSA-N 490.538 0.267 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1837564202 CJCLROCIAZANHZ-OUDOVLHRSA-N 482.493 0.890 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)cc1 1837797571 VQACSAUGPQMRBO-NRFANRHFSA-N 454.443 0.768 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)nn1 1838352169 DNYLYZVEWAHIEQ-HSZRJFAPSA-N 451.483 0.935 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)cc3nn[nH]c13)CCO2 1838617869 LWKAZNSRYDPGEI-BNOLWBGWSA-N 488.932 0.540 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)cc2NC1=O 1838737949 HAVVZSVAMXDQNF-OYLFLEFRSA-N 479.493 0.990 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCS(C)(=O)=O)C3)C2)c(C#N)c1 1839133345 MWGPLLSAGJJPRW-JOCHJYFZSA-N 479.555 0.000 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1839174596 LUFWZOUHHHUYSD-DEOSSOPVSA-N 486.525 0.546 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839225002 VJYQJIIFLRJHPO-VFNWGFHPSA-N 460.491 0.306 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(NC(C)=O)c(O)c3)CCO2)C1 1839472193 HIFHISPBBYUBMF-WAIKUNEKSA-N 459.499 0.459 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H]5CCNC(=O)C5)C4)C3)c2c1 1839489176 OUSSDHLNEXUEQF-WAIKUNEKSA-N 466.498 0.031 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)cc1 1839651565 AMAQFVBACZNCJZ-XMMPIXPASA-N 465.510 0.951 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1839739017 NSSPQDFMRGEOSA-CLOONOSVSA-N 486.569 0.882 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1840108167 ACSJFEOEYVVTSY-GGUMNFRJSA-N 494.589 0.438 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840171489 IFMQCNZHXQQTJZ-QFIPXVFZSA-N 467.563 0.781 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H]3CCCOC3)CCO4)c2c1 1840877677 NNTILSGSPWCVJP-SBUREZEXSA-N 453.499 0.931 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840883127 TVUZGBBWXNGHTC-MWTRTKDXSA-N 494.545 0.203 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCO2)C1 1840887132 WWBAKBCNCWANHY-AOMKIAJQSA-N 463.462 0.771 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1840908423 BHLNZNBKXKGECP-HJPURHCSSA-N 491.545 0.552 30 20 JCED O=C1CN(c2cccc(C(=O)N3CC4(CCCN4C(=O)C/N=C/c4ccco4)C3)n2)CCCN1 1844313835 PBQJQXNYMRKZEW-DHRITJCHSA-N 464.526 0.937 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(=O)CC)C1 1845972454 XBTRBPRAPXGJKO-OAHLLOKOSA-N 466.535 0.974 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195064 XYKJPOGXQQOIOE-QGZVFWFLSA-N 456.499 0.809 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCNS(C)(=O)=O 589160530 IHPNLFCNVADTKN-UHFFFAOYSA-N 453.973 0.841 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(Cl)c2)c1=O 604269789 BYQZYXUHJSPQGQ-UHFFFAOYSA-N 460.943 0.013 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O 726043123 QERVQPBRIJGDSQ-UHFFFAOYSA-N 482.415 0.874 30 20 JCED CCCCCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)c1 727161354 XFMWSIMDHJGHDE-UHFFFAOYSA-N 498.605 0.716 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCS(C)(=O)=O 729671145 JGAVCWHTEBOPHR-UHFFFAOYSA-N 461.609 0.991 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729883621 FNWHDOAOSLGHHS-UHFFFAOYSA-N 473.291 0.546 30 20 JCED N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 731237461 IBSPQESBSTXZOR-NSHDSACASA-N 460.306 0.703 30 20 JCED COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc1C 746484008 QIVZEUFUASUUDX-UHFFFAOYSA-N 454.508 0.193 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 837001345 AGWHALWDQIEVTF-WBVHZDCISA-N 457.574 0.844 30 20 JCED Cn1[nH]c(C2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2)nc1=N 1139042199 KDNXCWBQHXNBFB-UHFFFAOYSA-N 457.560 0.906 30 20 JCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cn2)C[C@H](C)O1 1465567720 KOSVQDTVEUAZPW-HOTGVXAUSA-N 459.528 0.944 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1494919286 SBHKMPXVSOXLLW-CYJAXWMASA-N 456.569 0.137 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1503696188 JKKJHYHCZYGPSO-SFHVURJKSA-N 489.602 0.891 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCCC2)CCOCC1 1541946285 SDYNNSDETWTDKE-IAGOWNOFSA-N 467.596 0.262 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1555818433 ZIYZFBPRWHDZGD-SFHVURJKSA-N 457.560 0.957 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1589405532 RTKBHFAUZVSFLU-OLZOCXBDSA-N 459.370 0.645 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1729373937 ZKWVHMOLQWLFJC-SFHVURJKSA-N 488.570 0.458 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CCO1 1748222902 JVDRGZKUCQKGQF-LJQANCHMSA-N 467.530 0.739 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCCC2)CCO1 1750388846 TWQMBJQLOMVCEA-IAGOWNOFSA-N 450.565 0.702 30 20 JCED Cc1nc2ccccc2n1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1751795495 PWYPJIKHRGHJGT-ZBFHGGJFSA-N 458.548 0.975 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778054973 DQQFBMGZXUWCJS-CMJOXMDJSA-N 481.513 0.815 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1778788975 ODUVETSWDNQVGJ-JXFKEZNVSA-N 495.330 0.829 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)CN)CCO2)C1 1778921320 LPPUDJJDCVOUFP-SEPYTNNBSA-N 497.593 0.217 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1779334850 BTIVSEVJMNPLNG-OVSVCJTISA-N 466.604 0.876 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779691804 JCKBMALKCRJLBV-VGOFRKELSA-N 458.519 0.584 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1781064084 ZOXGMXHXFKOMFK-PMASJOIYSA-N 477.558 0.633 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)N4CCN(C)CC4)C3)C2)c(C#N)c1 1781093941 DAVVTHCDWFJTME-DFBJGRDBSA-N 469.586 0.575 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/C(=O)NCc1ccccc1)C2 1782009282 ITCFVHPRDKVFKM-IDRMFCSBSA-N 453.495 0.461 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1783500903 UGXOQVOOULUGGN-BBYNXYBVSA-N 461.559 0.968 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(-c4ccncn4)noc3C)C[C@@H]21 1783531610 MXCBODOWERWDRS-TYEGUXDJSA-N 480.525 0.892 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1783678853 BFPIDUOBAQRJPW-RUZDIDTESA-N 489.569 0.627 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1783769240 PULHXNZTOQDXGE-JIGPKXGUSA-N 452.552 0.810 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)C1 1784011878 RUNBDUYXRDMXKT-GOTSBHOMSA-N 462.547 0.882 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2)c1ccc(O)cc1 1784013980 MNFLVRAPLSMFPM-SQJMNOBHSA-N 473.570 0.006 30 20 JCED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H]2C1 1785190330 DWEUIBACZRTMQJ-FHWLQOOXSA-N 498.584 0.182 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1785428735 IZAGJICPPHRTLE-JPHBTFASSA-N 477.583 0.907 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1785575038 XBWMAPFWUQTJAN-UUOWRZLLSA-N 472.542 0.595 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785669529 LBIFMAPGRHPNJG-YCRPNKLZSA-N 470.592 0.214 30 20 JCED CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21 1786645907 GBMNSNRBVAIMDR-CQDKDKBSSA-N 474.461 0.610 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786693420 WEBVQWGYXJKJMR-NXOAAHMSSA-N 450.536 0.546 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786839361 BZBCYYKZTPPAQH-FJIDUMEYSA-N 478.594 0.275 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC)NC(=O)OC(C)(C)C)[C@H]2C1 1787468243 KFFYPOZXJXVZPJ-KXBKKGDSSA-N 494.589 0.364 30 20 JCED CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/N5CCCCC5)C[C@@H]43)cc2C1 1790525136 RKAJQLBAFYJLJB-LSQOZNOOSA-N 471.606 0.784 30 20 JCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1791270725 UMGSOCJIYIPRER-HVTWWXFQSA-N 463.575 0.997 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2 1793345909 UUKWYPMAQAXDDD-BFMVXSJESA-N 495.573 0.461 30 20 JCED Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)cnc2s1 1797064840 YDMNCWYCZRSCFD-RPIBDRTASA-N 472.571 0.739 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(NC(=O)OCc2ccccc2)CC1 1797249773 SYGFIMNYAHTCFG-XEMDLRDOSA-N 455.467 0.123 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1797784388 CJCXAEZMKQRVEX-KLJBMEJHSA-N 457.571 0.676 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797840569 QYKBIWLPAMGLDE-ABUQBWACSA-N 491.545 0.057 30 20 JCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOCCOC)C2 1801166927 UYIHOFLWMYGLJZ-RUMRUAAYSA-N 468.591 0.856 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801531553 VREPKRSSCVAIHL-SFNKJDCFSA-N 487.619 0.870 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3ccc(C#N)cc23)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812072103 ZHJPJGBWXMXKHY-KKSFZXQISA-N 489.492 0.692 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1812882918 SUIXIJUKPPFCOO-WSCWJOSJSA-N 486.525 0.547 30 20 JCED O=C(CN1C(=O)CNC1=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1815597821 WKPYOVQHTOSJEB-ZAWBGUDLSA-N 461.479 0.483 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)c1 1816674331 PEVYZUGHBUAFJO-SNVBAGLBSA-N 479.457 0.819 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1819850466 RWWQYCIPUQXFOS-CQSZACIVSA-N 456.524 0.679 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)[C@@H](O)C1 1822725489 XXJKXOSWDRUYCI-DYEKYZERSA-N 478.527 0.371 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)CCN2C(=O)OCc1ccccc1 1828909498 AAJUDDXCRCFFDL-HSZRJFAPSA-N 475.567 0.897 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1828926896 IAQCRPPKGJKDQJ-RUZDIDTESA-N 492.536 0.999 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829124342 PJIPOHRKBKFJIL-DEOSSOPVSA-N 465.510 0.728 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3cccc(Cl)c3)C2)C1 1829765574 ZTMWBHSUDYSLRM-RPXOYZIDSA-N 476.961 0.655 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1829773744 SMTKIOWWPAGJOP-YTYIHYLFSA-N 469.538 0.695 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2ccc(C#N)cc2)CCO3)no1 1829902205 KZDVJPBCZORVBG-DEOSSOPVSA-N 481.509 0.882 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2)C1 1831088574 JSWKXMZMYLJMJN-YZZKKUAISA-N 453.580 0.567 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(F)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831391466 CBPQMVLKEZFXQK-DQMJNTIXSA-N 497.564 0.830 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Br)c(CC)nn3C)C2)C1 1831393024 JEKVHUDIGBJSPW-QVKFZJNVSA-N 497.390 0.853 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831402024 LMSBOTPZMKUGNM-XNKHYLNYSA-N 467.522 0.391 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1831406194 ZJFVFTJXGOPFGZ-HSZRJFAPSA-N 451.564 0.828 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1831426995 OPOYIHNZSPRUSN-VGOFRKELSA-N 458.519 0.402 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1832000372 NFNQBEYHQRHCTH-IUKKYPGJSA-N 464.563 0.440 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1832446619 DBKMIAGIRDXTAA-FDDCHVKYSA-N 499.630 0.998 30 20 JCED COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1832767316 KMPVVEXZIDPOKT-HPTBBYBNSA-N 456.499 0.801 30 20 JCED Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1833235119 STSQNGFCXLBPNQ-FQEVSTJZSA-N 489.330 0.833 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835495693 PEPRFFBFVFHIQI-NRDUTDNZSA-N 481.557 0.809 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836992857 YGRFXWVKOHVFSN-DEOSSOPVSA-N 485.541 0.369 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1837393197 NLYWYXUYTUDNAJ-FNZWTVRRSA-N 499.564 0.702 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1837395983 ACLRNUVZSLUWKS-CLOONOSVSA-N 484.553 0.577 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1)C(=O)O 1837428805 GSFMINGKTSEFAR-GCJKJVERSA-N 467.639 0.557 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491421 ZRBLHFCNXIJPFI-DEOSSOPVSA-N 457.527 0.154 30 20 JCED CN(C)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524176 BEEVDULKODLVSR-XQHLYRQSSA-N 475.546 0.747 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1)c1ccccc1 1837616644 KVNJSBQDCFFDOD-FNZWTVRRSA-N 491.548 0.843 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1837658595 QBNLYWJOZKHVSC-ZVWIGDQWSA-N 485.541 0.455 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1837664475 NWJTUAGYGVIUOS-CVDCTZTESA-N 468.547 0.930 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838366714 VVIWTLYYPAGFQJ-SBUREZEXSA-N 491.545 0.722 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc3cnccc13)CCO2 1838459994 CDRFUHSCPJERLK-PKZHZFTJSA-N 465.510 0.558 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838475701 UTJOGZGIPODVPU-QFIPXVFZSA-N 459.503 0.162 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838605246 UWYJBXWQUNOTML-RNODOKPDSA-N 463.516 0.067 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)[C@@H](O)C1 1839109686 QZTYJRFTUKKODY-XFAGBWLFSA-N 492.573 0.364 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1839176405 MZIWPNTVXQDYAZ-HYBUGGRVSA-N 460.527 0.556 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839378796 DGZYELOOGAEMEL-WZONZLPQSA-N 453.499 0.376 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)COC(=O)C(F)(F)F)C4)C3)c2c1 1839488342 MMWQYHADRQPNAI-FQEVSTJZSA-N 495.414 0.610 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccnn1 1839710032 BAWGSKRUEVDPSX-IVZQSRNASA-N 464.486 0.357 30 20 JCED COc1ccc(Cl)cc1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839791115 USHWYOWRPAAIFA-NRFANRHFSA-N 450.875 0.436 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3c4[nH]cnc4CCN3C(=O)OC(C)(C)C)C2)C1 1839810155 GTONPUGVROYJBY-WMZHIEFXSA-N 473.530 0.334 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840042845 QIHUZKQKWMVXSW-PKTZIBPZSA-N 479.530 0.178 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1840108350 RNAFPPQWLZLCJO-QZMQVMSPSA-N 480.562 0.048 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CNC(=O)C(F)(F)F)CCO4)C3)c2c1 1840204629 LWUUZAIUOIGNIH-FQEVSTJZSA-N 494.430 0.183 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)on3)CCO2)C1 1840370257 PSKXRWJCIAQJGS-DVECYGJZSA-N 490.557 0.899 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1840547806 WIKBFGTZSDVFMR-JOCHJYFZSA-N 463.556 0.382 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)cnc2c1 1840814047 LNPXNPNYRCSUQZ-DEOSSOPVSA-N 465.510 0.767 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1840906386 AHTAKTKDJBUXJN-JXQFQVJHSA-N 478.590 0.454 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1840908531 CBYRZDIUWDFCAQ-FSBGXSNOSA-N 453.511 0.717 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1 1840912155 AVNLTWRBMONZKZ-DQMJNTIXSA-N 497.589 0.575 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1842911758 SOLYBSKWKFAQPC-ROXVCHECSA-N 467.567 0.961 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845066465 OSLOATRDZBIKRS-ZCNNSNEGSA-N 456.543 0.784 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)C1CC1 1847519166 XITGNIMLXAGAGI-ULQDDVLXSA-N 478.546 0.973 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]cnc2n1 1847939157 AOMKCRJADDLXEH-BPUTZDHNSA-N 471.518 0.702 30 20 JCED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 31526198 CZEUNJKIWASVCF-UHFFFAOYSA-N 451.530 0.283 30 20 JCED CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 511418362 ODSXHZOPDMENCF-UHFFFAOYSA-N 473.559 0.532 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1 512438912 LJFLBSGEOOVLFV-CPLUKWAASA-N 454.508 0.198 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C1CCN(C)CC1 517990253 POHQFUPRBRCUIA-INIZCTEOSA-N 470.595 0.839 30 20 JCED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 521116901 JZGNMZPKRRSPKB-UHFFFAOYSA-N 452.427 0.694 30 20 JCED CN(CC(=O)NCc1cccnc1N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 521497341 GMOQDQBDUVIDDH-UHFFFAOYSA-N 470.555 0.592 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2ccccn2)c1=O 524281301 PSTAXQCABUHSLH-UHFFFAOYSA-N 472.523 0.379 30 20 JCED Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n([C@H]2CCS(=O)(=O)C2)n1 603496180 NTSBJWYXVJKVJT-HNNXBMFYSA-N 451.530 0.682 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2csc(Br)c2)c1=O 604270517 VMPCBYORMVLDKD-UHFFFAOYSA-N 495.424 0.947 30 20 JCED C#CCNC(=O)C1CCN(CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CC1 725772330 SLXCINTXOGFRHA-HSZRJFAPSA-N 453.499 0.829 30 20 JCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 731232961 QNPDWSCSSWDLNU-UHFFFAOYSA-N 451.552 0.829 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1C(=O)NC1CC1 821739653 MBUBDQWYXWFMPG-UHFFFAOYSA-N 456.480 0.799 30 20 JCED COc1ccc(CCn2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 837427647 QWVFRSKBXOQGQF-UHFFFAOYSA-N 479.562 0.256 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)n(C4CC4)c3C)c(=O)n2CCOC)CC1 838209987 FCMITHGZIVPKHL-UHFFFAOYSA-N 483.638 0.977 30 20 JCED COc1ccc(C(=O)[C@H](C#N)C(=O)NCCCOC(C)C)cc1S(=O)(=O)N1CCOCC1 916872249 HFRZAVKAVXMBIL-KRWDZBQOSA-N 467.544 0.970 30 20 JCED N#C[C@H](C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 916995340 XLQXAWLYDCLQEN-NQFBYJHOSA-N 466.406 0.820 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CC2(S(C)(=O)=O)CC2)C1 1302480772 UREWYHBKRDJQSX-MRXNPFEDSA-N 486.620 0.318 30 20 JCED COc1cccc(CC(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)c1 1306450821 LPEMYAHCMMTCSS-UHFFFAOYSA-N 456.524 0.759 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)NCCN(C)S(=O)(=O)c3cccs3)CC2)c1C#N 1312329659 XHPLQSRIZZGLOJ-UHFFFAOYSA-N 451.578 0.814 30 20 JCED CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 1463753096 YOYVGRPAHWAKKS-UHFFFAOYSA-N 451.368 0.870 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1540549307 JIXUJQOPJNEUJW-UZLBHIALSA-N 455.540 0.596 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC(=O)N1CCOCC1 1611672561 ULFWVGAYQUVDAY-MRXNPFEDSA-N 487.586 0.788 30 20 JCED C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1712715392 QICTZCCGRXVLBJ-WJOKGBTCSA-N 478.600 0.721 30 20 JCED C=C(Br)Cn1c(COCC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749113073 UEIJQWGUABWSLH-UHFFFAOYSA-N 469.344 0.190 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1768432511 NYCPCLMYSQHDTJ-JTSKRJEESA-N 460.558 0.785 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)NCC(F)F)c1 1770309607 VGJYBJCRFPFEON-MRXNPFEDSA-N 493.540 0.906 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3ncccn23)C1 1778651653 ZVXRSWHLQYFGOV-YUVPUZHMSA-N 452.515 0.715 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1778878689 KCQGCDOLNXEZSU-MZNJEOGPSA-N 484.557 0.032 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(=O)O)ncn1)C2 1779419558 AYUBMDLMTMEVPK-JKNUXFSHSA-N 475.502 0.831 30 20 JCED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ncn3c2CNS(=O)(=O)c2ccccc2-3)C1 1779987804 SECAXMGHBMTKHY-AUSIDOKSSA-N 498.565 0.705 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1780337797 ITEGEFBSTQPMHW-XZOQPEGZSA-N 473.530 0.702 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1781165565 NNMIWDHYWUXEIN-MBSDFSHPSA-N 474.562 0.805 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)ccc21 1782010366 QMEKROIUSHEIHC-WZONZLPQSA-N 454.483 0.093 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C1 1782178618 PQFROQCQOJZGCP-HOOSLVGPSA-N 492.573 0.939 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)Cn3cc(C)c(O)nc3=O)C2)c1 1783116103 IJIUPNMQVILZFP-CJFMBICVSA-N 495.536 0.965 30 20 JCED CCSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563878 DJNPCYCJHUDSIE-ZHRRBRCNSA-N 483.587 0.941 30 20 JCED Cn1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C3)C2)n1 1783780575 ZZHOOVPNEHTVGG-SPLOXXLWSA-N 482.607 0.860 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1783917259 HLQRCGBUXJADFX-SZMVWBNQSA-N 469.862 0.396 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C[C@@H]21 1784502718 CULFOVYRMBITOP-JKBKZWBZSA-N 498.584 0.750 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1785574346 HMBZMTZDUXAOGS-ZHRRBRCNSA-N 461.519 0.667 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785608136 VIWJNCGOEKFLMG-PXAQALGRSA-N 482.578 0.158 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnn3)[C@H]2C1 1787122267 DRMDGFFLQVBTMX-HAGHYFMRSA-N 488.589 0.955 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1788574647 HVMYADJFPIBWHV-CADBVGFASA-N 471.620 0.211 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1)c1ccccc1 1788651960 RLEASZJLAQDPEE-KQWWLPFYSA-N 469.582 0.814 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3COCCC34CN(C(=O)OC(C)(C)C)C4)C[C@@H]21 1790793621 RYLUOYOZQREYFI-VJANTYMQSA-N 461.559 0.873 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790862181 XDXTXUSSTBLQQY-RZFLPCETSA-N 462.547 0.019 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCOCCOC)C[C@@H]21)C(F)(F)F 1790884997 CGGXFZGUSDNRSA-BZSNNMDCSA-N 482.496 0.781 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4c(Br)cccc4n3)C[C@@H]21 1791076731 GQOQLSAMNUJKPE-YDHLFZDLSA-N 475.299 0.778 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792272126 DSIQXYUZZXLMRO-ATIWLJMLSA-N 497.593 0.536 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)Cc3ccccc3C2=O)CCC1 1793053297 WXGFSZXSBSTBCG-OPMZPASUSA-N 464.522 0.885 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNCP(=O)(O)O 1795967115 GNSSCZMTLQZHTH-UTBLSDIXSA-N 486.506 0.819 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1797310359 ZBIIFHNOLQBVKW-REAORAKASA-N 493.601 0.622 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2ccc(O)nn2)C3)c(C#N)c1 1799239916 XDVIXEFMPGIHNJ-MRSFGVLCSA-N 465.510 0.827 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1799320660 LQEKCQFNLYIRBM-IWSXDTNSSA-N 493.561 0.034 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)=O)C2 1799334706 TWJLUODCTREQKK-XAPVIXHLSA-N 472.542 0.583 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1799391963 XJKKRYVXGBAHSB-OAFZBRQQSA-N 455.515 0.938 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1ccc(O)cc1 1800777411 SFDMOUQHXKQBKK-GQSCTRQFSA-N 487.509 0.636 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 1800865718 PYFICWUXHKHPPI-YYAJDYIMSA-N 465.547 0.834 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1800911953 KRSFQHWUZPAVIA-OYNZLANYSA-N 497.589 0.606 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1)C(C)(C)O 1801983112 YQBWNTOCUUILDB-YYIAUSFCSA-N 464.563 0.934 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(C)n(C)n1)C2 1802124699 HPQMGLXQFJLFPN-SHJAMOMRSA-N 473.574 0.777 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N(C)C(C)=O)C2 1802128120 YGYVUAIJXATLGL-UJCHZGTJSA-N 464.563 0.359 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1802140944 ZJQVAPBGPJZPAZ-YJDCLEDVSA-N 476.574 0.572 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1802483720 RZTFCDFKHGELGE-SXZZRKSZSA-N 452.471 0.461 30 20 JCED Nc1n[nH]c(CCC(=O)N2CC[C@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2c2cccnc2)n1 1810357264 JQVHHFJHYGUIQK-FBMATANQSA-N 470.534 0.950 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2c2cccnc2)c(C#N)c1 1812392655 ULNQSHBHGDFYHJ-FDDCHVKYSA-N 493.520 0.753 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1814209068 ZQIOXRJTRCSKQC-VJANTYMQSA-N 458.563 0.290 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1814976374 JYIHVVHBGBYJEM-GFCCVEGCSA-N 470.559 0.591 30 20 JCED N#Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)cc1 1816673239 FZMMYDLEQIIQFQ-LBPRGKRZSA-N 461.467 0.680 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1827544964 OFVSNFCNHLVFQK-IRXDYDNUSA-N 451.520 0.580 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)sc2C1 1828307721 GACCLFWJSFHYTF-NFAWXSAZSA-N 493.586 0.862 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN)C2)C1 1828494322 HBPNRIBIHDTQPX-XXXZYALBSA-N 469.542 0.256 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807997 DCDURHWTMCTUGW-GAJHUEQPSA-N 455.515 0.877 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CN)CCN3C(=O)OCc2ccccc2)c1 1829048768 AWHCPIZFRLXGGZ-NVQXNPDNSA-N 490.564 0.910 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829121245 NMWOIAKJZZXPKU-IQGLISFBSA-N 495.536 0.353 30 20 JCED NCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCN2C(=O)OCc2ccccc2)C1 1829133694 OFLYWPGSBLTERO-VLNKIQQBSA-N 487.557 0.926 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1Cl 1829955999 DDKVTLUUVWIXPE-ZHRRBRCNSA-N 460.918 0.808 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4ccc(F)cn34)C2)C1 1831399199 QVXKAKYKHBGLOV-UZUQRXQVSA-N 458.490 0.890 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831412655 WMSKBJFNZGFFNN-YADARESESA-N 499.605 0.701 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1831604402 QDVLROLNJGTAEQ-ZUOKHONESA-N 483.447 0.554 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832361594 XFWBVLFRAPNKHH-CLOONOSVSA-N 491.585 0.743 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832751357 SLIANKMMXIBOLH-FDDCHVKYSA-N 459.568 0.966 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832869326 GANHPFDRVBXOEM-NRFANRHFSA-N 450.561 0.510 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)CC2)CC1 1833075526 WMXSQSHHJJLUAQ-KDMQOPFQSA-N 485.629 0.817 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCc3cncnc3)CC2)CC1 1833076089 TWJWRSDMCDFVHI-PLNGDYQASA-N 454.575 0.839 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)CC2)CC1 1833077386 VUWRXQMUCKXITE-XFHJGTJQSA-N 468.602 0.945 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1)n1cnnn1 1833108131 HFYJZVLZVCXFTD-KRWDZBQOSA-N 450.547 0.920 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)CCO2 1833222455 BDMMLZNKZOAQCK-XMMPIXPASA-N 466.494 0.938 30 20 JCED O=C(O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)ncn1 1833491369 NKSIOWAOCOEGRB-HSZRJFAPSA-N 450.451 0.297 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c(C#N)c1 1833765992 LSDLTRFKJXQNGJ-NRFANRHFSA-N 496.568 0.279 30 20 JCED Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn1 1834086574 MRHCYZQBMBTZGH-HSZRJFAPSA-N 461.482 0.917 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)C(=O)C1 1834403866 ZEUMPTPDRGJXKV-UHFFFAOYSA-N 490.605 0.551 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn(C)c2C)CCO3)c(C#N)c1 1834425585 AQYGXLMAUUOJPB-XMMPIXPASA-N 467.526 0.922 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835427046 TVIMPNNAWPZPRU-AOMKIAJQSA-N 468.551 0.000 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835731379 GOKVQHLGEBXXOE-MEVWBCJNSA-N 491.662 0.832 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1836842646 RLYWOQAOODSZEH-IAGOWNOFSA-N 459.609 0.904 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1836859288 WPAHPHSPQXYBBO-IERDGZPVSA-N 466.531 0.518 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837199599 JZTQHFGVKGXNKM-JOCHJYFZSA-N 457.487 0.537 30 20 JCED Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1838216183 GLANXKRBSJCFCT-HSZRJFAPSA-N 461.482 0.917 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])CCO2)C1 1838542565 IMCKETNKCVZYOX-SBUREZEXSA-N 474.514 0.769 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)c(NC(C)=O)c3)CCO2)C1 1838606944 DLCNASXZOGIPAQ-MZNJEOGPSA-N 473.526 0.762 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838741894 HKJHJWPACOXTKK-JOCHJYFZSA-N 464.519 0.026 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1839163728 PTQMNYNFFGDQAD-KHCICDEESA-N 494.589 0.274 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1839176418 NIESXHQGXFHUDC-JOCHJYFZSA-N 475.477 0.448 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CCOC1 1839191842 PFXFOJBCYPBSEZ-GOTSBHOMSA-N 478.546 0.430 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n1 1839222959 GSQWJUBPYBHQOD-KSFYIVLOSA-N 461.519 0.911 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361401 IKIHRNFZPYZKIA-VGSWGCGISA-N 463.556 0.503 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839684895 XRTBOQKHPXHUEC-XTLIACCCSA-N 471.507 0.533 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839962199 XJSMQUUDROYYGU-GJZUVCINSA-N 479.533 0.997 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840479638 CYGSGBPSULUYJO-YVHKJVDXSA-N 493.565 0.160 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC)C2)C1 1840913667 KHESQHLVIBTMSV-VQDLLJBESA-N 467.563 0.947 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1841054486 HIYFOMUWTSMAHJ-BTFXCVNISA-N 476.574 0.666 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2CO[C@@H](CC(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)[C@H]2C1 1846150422 ZZOPRXRZCCVMDO-BZSNNMDCSA-N 475.542 0.940 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846194998 PWDOLMGRZPHRGS-INIZCTEOSA-N 457.487 0.466 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCOCCOCCOCCOC 1847263032 SUSAYKXNHLSBCN-PSCPARJHSA-N 467.563 0.133 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2-c2cnn(CC)c2)CC1 523182989 LIDANXQCNLXSKG-UHFFFAOYSA-N 463.567 0.178 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCc3ccccc3F)c2)c(=O)n1CC(N)=O 608910885 VDWCBUJSYRCFDP-UHFFFAOYSA-N 492.532 0.918 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCNS(C)(=O)=O 608913103 UIMHNSXKMCUXTJ-UHFFFAOYSA-N 483.015 0.388 30 20 JCED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C3\CCCN3C)c1)CC2 727231674 RRXYYDPHCTXFSQ-WZTHKDHVSA-N 459.532 0.469 30 20 JCED CNC(=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 728677132 DEUQNEKMZZKACR-UHFFFAOYSA-N 471.495 0.003 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)o1 915249755 LKBANBUPYOQMAN-VBKZILBWSA-N 467.500 0.961 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 916199381 FYTPENLORAQPKA-UHFFFAOYSA-N 459.524 0.364 30 20 JCED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 917506919 KDOVRZBEWXOZPI-SOUVJXGZSA-N 463.512 0.735 30 20 JCED CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918442548 PCWOQVLDOKUARD-NKFKGCMQSA-N 499.615 0.368 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)cc1 919663770 QCXJGMVJWVCPSV-UHFFFAOYSA-N 451.549 0.272 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1214136582 PUMFAQLKXAHBMH-UHFFFAOYSA-N 451.549 0.787 30 20 JCED CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC)[C@H]1CCS(=O)(=O)C1 1295175034 SXCRYTZKQCPIRE-INIZCTEOSA-N 452.562 0.379 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1303301977 XWIZQNJOTIZMOT-XLIONFOSSA-N 499.613 0.288 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)NC1CCCCC1 1360708045 PIFJXZRJCCMDBE-APWZRJJASA-N 492.650 0.904 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1516976532 SZAAYQGHIBFYMZ-QFIPXVFZSA-N 455.588 0.895 30 20 JCED COCCN1C(=O)c2ccc(C(=O)N3CCN(c4cnccc4C#N)CC3)cc2S1(=O)=O 1556823241 PYSQQSMAMXRZPN-UHFFFAOYSA-N 455.496 0.707 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1731011204 ZCQNBUYZSWEQDE-JKSUJKDBSA-N 456.594 0.202 30 20 JCED C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1751145903 UABPJBMEWBXOFI-PKOBYXMFSA-N 481.623 0.462 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)[C@H]1SC(=N)NC1=O 1779063581 XMCBAQDDDLYEMF-LBUQITIBSA-N 462.572 0.317 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1781390439 IPFKFGUWKBJQRX-DOQJBMMISA-N 461.519 0.624 30 20 JCED C[C@@]1(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCN(C(=O)OCc2ccccc2)C1 1783668214 IJHFEVLICAXDJP-RPBOFIJWSA-N 483.521 0.953 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784004547 FNNJRRVIKBVCCY-MQNAVGNWSA-N 467.563 0.779 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088823 SQEFREYLRJINNJ-XDHUDOTRSA-N 488.541 0.307 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3=O)[C@H]2C1 1786735087 GOODBBQJNFUITR-VJANTYMQSA-N 476.574 0.505 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787152429 QBGBTGYVXAZMCK-FHIRATQRSA-N 467.548 0.232 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787430514 BJCYTHZQKVTUSJ-HJWJTTGWSA-N 489.529 0.398 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1788631580 ORZLFRKPHJQKNE-BXWFABGCSA-N 490.582 0.130 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1792258164 VPPAAOOHIUEMOL-HJWJTTGWSA-N 489.529 0.398 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(Br)c1)C2 1792490270 SDUFPQUYUSCREU-KQORHLAWSA-N 463.332 0.906 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)NC2)c(C(F)(F)F)n1 1792579601 UWUUQCKQPDEMQD-JRATXPSKSA-N 465.432 0.701 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1792793824 JGSWMESEFXBTRX-BBWNSZIYSA-N 499.630 0.276 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1793344192 JILQXDBYFVDMQO-RXNNHNSHSA-N 493.601 0.622 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1794156814 XOILGFRWAGVDLL-NYUBLWNDSA-N 486.525 0.195 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC)c1ccccc1 1797586343 PXEVMZVJFQAHRD-UTNFEIGLSA-N 457.527 0.838 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC)c1ccc(O)cc1 1797589957 XUCGFJCLUHSLRK-ACJCWMFTSA-N 473.526 0.543 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1n[nH]cc1I 1798115418 ABLUOIUERWUSJZ-APBAFYQPSA-N 497.293 0.930 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O)c1ccc(O)cc1 1798358001 WKQUQVIAFJKNGY-UGNRZPKXSA-N 477.521 0.682 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1cncn1 1801260906 SGJPDZFRWLSILA-ZMMAXQRCSA-N 462.551 0.727 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2)NC(=O)OC(C)(C)C 1801930537 FEOMOVNABHVXPK-CLWJZODNSA-N 462.551 0.727 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2 1802023597 HTDQNYXJKNAZOS-BMQTXXJKSA-N 478.590 0.751 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)C2 1802159173 XRMPPPOATXZNHR-URIBORFWSA-N 476.574 0.525 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccncc1=O)C2 1804375802 ATPSHLLMSYEDQS-XMTFNYHQSA-N 457.531 0.798 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1810101532 SSGJLZZSUJVZFY-ZHALLVOQSA-N 460.535 0.434 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c1 1811406557 OSJOAWRNSZFDID-JTSKRJEESA-N 476.493 0.833 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812872028 APLSQTDPTKCOIE-AUUXCDECSA-N 478.505 0.355 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(O)O)CC2 1828299271 UHOAMSTXDZACPW-QZXWKGOOSA-N 452.533 0.835 30 20 JCED C=CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1828584161 WZOFWEPRZZCBSK-UZUQRXQVSA-N 461.515 0.340 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828585410 VKKIMGGYIDJPIK-WXVUKLJWSA-N 473.574 0.316 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc[nH]n1)CCN2C(=O)OCc1ccccc1 1828602841 CVRYQPXURCPZJB-HSZRJFAPSA-N 465.466 0.563 30 20 JCED O=C(C#CC1CC1)N1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCN2C(=O)OCc1ccccc1 1829014146 OVVPVEJEDXOIQO-XMMPIXPASA-N 477.525 0.539 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1829265649 CASYAFZEOSPXLC-SANMLTNESA-N 493.608 0.852 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@H]4C)C2)C1 1829766125 MUKITSKYHVNOJL-WSAKHNRISA-N 457.531 0.388 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)C(F)(F)F 1829899421 ZDAXWQHZNQVJQX-VQTJNVASSA-N 455.433 0.870 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830887266 VOEDNRBMWCSJDU-MBSDFSHPSA-N 463.531 0.435 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(C)(C)C 1831088210 HCHPXSGPPAAEOC-PLERZZPGSA-N 482.578 0.523 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Cl)c(CC)nn3C)C2)C1 1831386534 HMLZZWAUMMHLRP-YCRPNKLZSA-N 452.939 0.744 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)CCO2 1832350341 LDTMCAAILIBHOH-XMMPIXPASA-N 487.940 0.935 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1832461392 USNGYHPSMCMURM-HSZRJFAPSA-N 460.600 0.759 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832882746 XTXXWMSYQBVTJD-RUZDIDTESA-N 495.536 0.542 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnc(OCF)cn3)CC2)CC1 1833073854 KYGKMFHNZOMSLT-ARJAWSKDSA-N 474.537 0.826 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CCC(=O)NCCC)CC2)CC1 1833424758 FTPQLACDLQGEES-FPLPWBNLSA-N 461.607 0.723 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)cc1 1833827681 HMHJBIGARLVFKL-QHCPKHFHSA-N 451.483 0.757 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834765719 JXBCNUOARSQTTA-GCJKJVERSA-N 482.459 0.521 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1 1835045903 SDZOPFBWYRCDHK-XLIONFOSSA-N 480.606 0.482 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(C)(C)O 1835349268 ARUVVDCJRVSPOT-WAIKUNEKSA-N 480.562 0.411 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1835351146 MJQOCRXBXAWDFM-QHCPKHFHSA-N 486.550 0.603 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1835354883 IZEIDVGLUHWNKR-VGSWGCGISA-N 460.556 0.857 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1835674765 MDLSYRYWYVIOAJ-FQEVSTJZSA-N 455.462 0.964 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1836956413 BCVAUXVPWSGKHS-IYZQMXKPSA-N 471.489 0.402 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837152092 BKNBZQPTCGMFAA-XMMPIXPASA-N 471.510 0.509 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837524817 OCPXPVDCVRMSRQ-GFODGPHOSA-N 477.518 0.474 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837528662 MKSKBUXHKIDFIB-YSTNQMLOSA-N 472.502 0.557 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838067056 AURDGWHVTCNTIY-GXDFBKAQSA-N 450.584 0.904 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4cncn4)C3)C2)c1 1838583550 IGTNDMZWYASOFT-KSFYIVLOSA-N 454.487 0.490 30 20 JCED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1OC 1838840910 NMDXZCSBYNLPNW-SIQMMJIHSA-N 492.529 0.698 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(c3ccccn3)CC1)CCO2 1839050680 JMJPKXOMRGDDDC-SJOJWXDJSA-N 497.596 0.613 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839384785 QQIIIMJKJPEUJY-MDOVXXIYSA-N 461.581 0.240 30 20 JCED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(Br)c(C#N)c4)CCO3)C2)n1 1839401275 WKUFCKWNOBAIHL-FQEVSTJZSA-N 489.330 0.833 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NCc1ccc(OC)cc1)CCO2 1839717551 FOWYKNUCPUADIP-RUZDIDTESA-N 471.554 0.961 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1840045130 RXAQOALASVSCIW-MNFWLRKXSA-N 491.541 0.319 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncon4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251556 LFAJUTYIQOZTKD-KSFYIVLOSA-N 477.518 0.705 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)OC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251601 OKXJDHQPPKRLQT-MHECFPHRSA-N 495.573 0.962 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1840371651 VJFSWVABSPTNDC-RDGATRHJSA-N 494.552 0.293 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)n1cnnn1 1840476625 KPQYWAWBWFTWPN-ORAYPTAESA-N 494.434 0.290 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)cc1C#N 1840763811 SODMYGZKDZUAJT-QHCPKHFHSA-N 469.498 0.291 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1)NC(=O)OC(C)(C)C 1840795737 YRFRPCVWKGZICK-MBSDFSHPSA-N 492.577 0.594 30 20 JCED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818554 JCIPSCUMVGCFHA-QHCPKHFHSA-N 458.515 0.262 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)on1 1840818720 UGUOEZPQJVQUBK-QHCPKHFHSA-N 454.483 0.933 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1ccccc1=O 1840819697 AQNZJYOQUXCNNZ-KBMIEXCESA-N 480.521 0.816 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C4CCN(C(C)=O)CC4)CC3)C2)C1 1840842544 NRQPWFYPXKPOSJ-SANMLTNESA-N 488.629 0.579 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1ccc(C)cc1)CCO2 1840902355 BYEULLZFVMCRIX-RRFNBQSRSA-N 484.553 0.040 30 20 JCED C#CC(=O)N1CC2(CCCN2C(=O)c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)C1 1842207318 DZNXQZMPIOWKIP-UHFFFAOYSA-N 454.531 0.984 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2)C(C)(C)S 1846301682 JSDIBJMFCVOLTH-WBVHZDCISA-N 486.635 0.442 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 10351231 DQSPOIQYUABUAB-VLIAUNLRSA-N 452.533 0.770 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1=O 23843512 OWDYCJQFQMOUOS-UHFFFAOYSA-N 487.991 0.223 30 20 JCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 514332318 GIWUJTVREBGMBP-UHFFFAOYSA-N 461.927 0.716 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CCN(C)CC2)c1=O 517990631 LFCRIWUGGRFJGG-UHFFFAOYSA-N 468.579 0.547 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)cc3Cl)c(=O)n2CC(N)=O)CC1 524281385 UBSJRUPOGVPDNE-UHFFFAOYSA-N 494.404 0.369 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)CC1 604196534 NVLMOSFWNCZAHL-UHFFFAOYSA-N 482.566 0.768 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)COCC2CC2)cc1 749042994 LBEKLADKQVRTHH-PJWCADQQSA-N 452.533 0.342 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 917768207 DMGCPXUHUQIZLH-INIZCTEOSA-N 479.562 0.667 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NCC(=O)NC(C)(C)C 919013234 CCXLPAXXTHYGOV-QHCPKHFHSA-N 456.499 0.726 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1288170195 NINRHLHEPXXYIQ-PMACEKPBSA-N 453.547 0.760 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](COC)C1 1359084983 XVDIKSZGWMDREU-KKUMJFAQSA-N 494.412 0.760 30 20 JCED CCN1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1 1502270767 SQHKSXMUMNSDJB-IEBWSBKVSA-N 487.634 0.823 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1691035126 VNZUFURBEPWWJS-KRWDZBQOSA-N 465.562 0.985 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CC1=O 1712486379 LDZQTZGQAMLLIJ-GOSISDBHSA-N 453.547 0.832 30 20 JCED C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1760363375 LNYKGFNLAGDMSZ-GOSISDBHSA-N 481.600 0.559 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC1CC1 1760695712 MOYWFKYJZPFWPM-GOEBONIOSA-N 474.609 0.032 30 20 JCED CN(C)C(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1766862374 UOGXLZTUGMJORL-MRXNPFEDSA-N 461.548 0.402 30 20 JCED CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)S(C)(=O)=O 1766869313 ZYJNSFAAZZYZHJ-FQEVSTJZSA-N 489.602 0.830 30 20 JCED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1767823108 JUAFTTCMKPPMES-QGZVFWFLSA-N 472.575 0.560 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769370125 UEEGROBJKXFMJI-UHFFFAOYSA-N 456.532 0.989 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(C4CCN(C(C)=O)CC4)CC3)C2)C1 1778319985 APOXFGVLXFWIAK-FQRUVTKNSA-N 488.629 0.578 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCN2C(=O)C=CC2=O)C3)c(C#N)c1 1780689241 LVDVSLBKBTXYDD-QFQXNSOFSA-N 494.548 0.938 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780802803 JRIKSRDMRFZDOH-MIALQEHNSA-N 460.597 0.629 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CS(=O)(=O)N2CCCC2)CCO3)c(C#N)c1 1781172433 PZSQPJPVDOEENX-QHCPKHFHSA-N 490.582 0.365 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(OC)nn2C)CCO3)c(C#N)c1 1781174095 GSGUIGOMJCLCHP-QHCPKHFHSA-N 453.499 0.995 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781202137 UBULXHZYFPTPAO-GMSRIDPHSA-N 498.577 0.887 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1781390552 JWQORSRUZATJCZ-QRWLVFNGSA-N 452.533 0.730 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781970756 FMIFGKFDEZSERN-JXFKEZNVSA-N 450.879 0.720 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)N1CCN(C)CC1 1782199806 YRCQLWLCIGFRKU-MZNJEOGPSA-N 465.558 0.514 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782422177 AZFCKRYQAUWVDB-JOCHJYFZSA-N 472.571 0.851 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1782467899 VKVOBSQPEOORIH-FDSZKQNJSA-N 459.547 0.009 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)[C@@H](F)C1 1783558187 POOQGEHWQLHVFM-VVBPWWLESA-N 467.494 0.499 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]3C2)C1 1783682860 YFBFEGYARLAAEN-JCECYMMASA-N 464.563 0.744 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1783766276 IUDGJZBRJNGZBR-VGOFRKELSA-N 455.552 0.949 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)COCCO)CCO2)C1)NC(=O)OC(C)(C)C 1785304842 IGXDGZJWHGUXNO-HTAPYJJXSA-N 455.552 0.685 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1785596297 JCEXVLZSJWRBNX-NPFVIJTESA-N 453.536 0.295 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)nn3-c3cccc(=O)n3C)[C@H]2C1 1787151911 KBMNGGPSAVBNSB-JKBKZWBZSA-N 481.553 0.511 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)C1 1788094068 FGCVMKHVMNZKTH-VMXHOPILSA-N 464.563 0.888 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1788591574 FSTUWFYVPIRQAS-BZSNNMDCSA-N 462.623 0.569 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(O)nnc4O)cc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c3ccccc3C#N)[C@H]2C1 1792147462 RQBAXJVEUGJIBZ-IWFBPKFRSA-N 458.515 0.068 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794113326 PPAHWPTWJXCTFX-MIMASFHYSA-N 460.531 0.155 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2 1796740249 QCAFVEODFUAGAU-YVSFHVDLSA-N 451.568 0.792 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)n1 1797909036 SDGPYXJTQSQTCT-OFISNVQSSA-N 458.563 0.348 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnncc2C(=O)O)c1 1798101393 RJGADVHHEGKUEG-CCWDJLKJSA-N 451.439 0.572 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1799365922 AQLQFPRPPQFBMC-QLCXLMDBSA-N 470.567 0.653 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)ccc1Br 1799710291 MUJOZFGHMCQWPE-CRCOGDFISA-N 463.332 0.247 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)OCC)C2 1802124786 IDTMLCKZSLOZFS-SPIYCQLSSA-N 463.531 0.612 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)CC1 1802222026 KXAPUCNODPXFPC-BJWYYQGGSA-N 463.579 0.915 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](N)Cc2cccnc2)[C@@H]1c1cccnc1 1808355035 KJCKJPROMGWCBA-DYIZMMAGSA-N 462.554 0.911 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1809664451 JHMYYEKMNMNPTR-RZFNWQHOSA-N 457.575 0.843 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1812443357 KBILVWYQKASVNR-RMJJICAUSA-N 498.609 0.817 30 20 JCED O=C(CN(CCO)CCO)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1812714282 FZVSQUNGGZADNA-ZJSXRUAMSA-N 472.586 0.073 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879958 LJMJYGWHFVPULA-HYBUGGRVSA-N 491.541 0.262 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2 1819462770 AQJNFTPTZOJMCK-ABAIWWIYSA-N 452.537 0.401 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)[nH]n1 1822197098 JMKAHMDBSADIBB-XHDPSFHLSA-N 454.443 0.496 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1823038251 MWFYXFSQDWOTLJ-RYUDHWBXSA-N 466.516 0.419 30 20 JCED C=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CNC(=N)N)C3)C2)C1 1828488215 PSDYEILYUQERHW-XMMPIXPASA-N 468.558 0.888 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cncn3)C2)C1 1828805995 HHSDZQPXPNHESM-QFIPXVFZSA-N 451.487 0.644 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807998 DCDURHWTMCTUGW-HXOBKFHXSA-N 455.515 0.877 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)CC1 1828920019 UTUNUSXUOZPHNZ-MHECFPHRSA-N 481.509 0.851 30 20 JCED CC[C@H](NC)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332500 OGHUGLMERYEBFL-YADARESESA-N 470.526 0.525 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1cncn1 1829334333 HUWBGEKMUILCQL-HOYKHHGWSA-N 494.508 0.379 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@]4(O)CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 1829673343 JVHQASPNAJZBRV-ZEQRLZLVSA-N 479.574 0.781 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830059709 DNQAVYODRKFZDY-AOMKIAJQSA-N 468.551 0.268 30 20 JCED CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1830518141 AJMYFHIHKGWBGJ-BEFAXECRSA-N 456.421 0.813 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213537 PSWGUQRIPCZOAP-LJQANCHMSA-N 451.321 0.666 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C)CCO2 1831723401 MTHPABJOGZTPCJ-NRVIRDBHSA-N 487.619 0.786 30 20 JCED COC(=O)CSCC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833479998 QXOCQMVYHNGYMR-UHFFFAOYSA-N 467.636 0.746 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](S)C(C)C)CC3)CC2)CC1 1833491394 KWGDLPFQGMKTJG-QFIPXVFZSA-N 467.680 0.677 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834753437 KLDIOUWHLRIZJC-IMRHEYAYSA-N 478.546 0.240 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)cc1 1835447475 CZUIPWAKYPMXLI-XMMPIXPASA-N 456.543 0.545 30 20 JCED Cc1cc(Br)c(N)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835497376 SRUWIFBEAZBEFY-HXUWFJFHSA-N 480.315 0.498 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1cc2n(n1)CCCNC2=O 1835515975 YZFNNUPNUIIFJB-OVVQPSECSA-N 498.632 0.674 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1835680943 PMJLGBJMGZLCHK-QHCPKHFHSA-N 454.531 0.915 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835715368 AEPDZOKKMWZYHY-QFIPXVFZSA-N 477.650 0.295 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836098091 CPQWDGPIGGVXNT-UHFFFAOYSA-N 496.568 0.784 30 20 JCED Cn1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CCO3)n1 1836320926 YFFWHYSUZXWXEG-IBGZPJMESA-N 479.419 0.484 30 20 JCED CN(C)C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836321684 BBGQNPWEGJIDKZ-IBGZPJMESA-N 469.420 0.130 30 20 JCED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836321880 OJGGJIACCHWJGP-FQEVSTJZSA-N 486.447 0.705 30 20 JCED CCOc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cnc2c1cnn2C 1836376758 JBTGTJJCNZXJEV-HSZRJFAPSA-N 468.514 0.741 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1837393113 KIGVWVMPCIRPMR-HRAATJIYSA-N 452.577 0.809 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1837405167 JCHHWXVZQLIKMP-XXBNENTESA-N 450.507 0.961 30 20 JCED Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837493630 NILKZOQMXNEGKQ-HYBUGGRVSA-N 458.559 0.908 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837700512 QWALEYFUKVHDDB-HJPURHCSSA-N 456.499 0.328 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839106402 FURQJQXBTXLZOU-HSZRJFAPSA-N 464.607 0.206 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1839171867 HDXJESCRRWIQPQ-HXUWFJFHSA-N 452.895 0.709 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnc(O)nc5O)C4)C3)c2c1 1839487904 LLEHKBLFPDRWTK-JOCHJYFZSA-N 479.453 0.020 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)cc1C#N 1839665691 SAUURJGDKKXEFM-VWLOTQADSA-N 495.536 0.672 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)c(OCc4ccccc4)c[nH]3)C2)C1 1839807397 XXLVPSPGUBLIER-XMMPIXPASA-N 451.479 0.657 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044355 UEVRTCPUIIMKOT-UZUQRXQVSA-N 479.530 0.178 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1840108259 JPBJCRQHDPVDLC-PNCHPQGNSA-N 467.563 0.949 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1)c1ccc(O)cc1 1840220036 UJVIVHYDZJIOSG-WMZHIEFXSA-N 478.567 0.390 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1)c1ccc(O)cc1 1840222344 LFUMIQJNPHPNIN-HYBUGGRVSA-N 467.526 0.637 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1 1840713733 HOXHXYQFNLDHBP-NPMXOYFQSA-N 467.482 0.899 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC(=O)CN2C(=O)OC(C)(C)C)C1 1841432703 SKADOVWDKJLDFX-QWPQOLDESA-N 460.531 0.627 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843999973 SBUIGYOEHGIOIX-MRXNPFEDSA-N 484.557 0.750 30 20 JCED C#CC(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1)C2 1845960130 UHXLMKPUDGRGNL-QFIPXVFZSA-N 472.545 0.981 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1847261987 SAUVNBKHLDRVCO-ITFIHQDOSA-N 462.547 0.419 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(N2CCCNC(=O)C2)n1 1847262923 MPZOQIFJWLMATC-XSAZBNQGSA-N 466.542 0.082 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc(C(C)(C)C)n2)c1=O 516373308 OPQDPOUOMMTKFM-UHFFFAOYSA-N 487.651 0.801 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2c(F)cccc2F)c1=O 523745070 GCUAFMYVSFJNLE-UHFFFAOYSA-N 476.549 0.892 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1-c1cnn(CC)c1 523862740 FSYQEVKRLFTCPI-UHFFFAOYSA-N 495.561 0.946 30 20 JCED CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c1 604472843 INKZDKOSVTWSEG-UHFFFAOYSA-N 468.579 0.911 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1CC(=O)N(C)C 604533089 BYEBZQATAUWYKN-UHFFFAOYSA-N 487.538 0.334 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 618433434 AAUMLQKODVQPKU-UHFFFAOYSA-N 475.592 0.520 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 619104240 QZIAVRQHEFQLTQ-MJGOQNOKSA-N 459.503 0.565 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(F)c(NS(C)(=O)=O)c3)CC2)o1 725994545 ZKBQRHCDKGETQG-UHFFFAOYSA-N 465.463 0.871 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)c1 753656729 FJPBTSWCLCFBTG-UHFFFAOYSA-N 479.536 0.610 30 20 JCED CC(=O)N1CCN(C(=O)COC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 779348700 XDQBYSZRERYSAW-QGZVFWFLSA-N 464.544 0.374 30 20 JCED N#CCSCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 915386306 IMWHGFZJRJBXME-UHFFFAOYSA-N 455.514 0.091 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 918279124 NTENPZXQPAAREU-ACNSNUFOSA-N 484.600 0.769 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C(N)=O)CC2)c1 918289016 IWBFBEDZBXWVHZ-MOHJPFBDSA-N 463.560 0.942 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 919033993 IJXUPDNVBZOJLO-UHFFFAOYSA-N 490.513 0.672 30 20 JCED C=CCOc1ccc(/C=C\C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1OC 919986470 NLMGTLYFQWSSFY-YEODSOHDSA-N 484.596 0.934 30 20 JCED COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)c1 1208055186 LJRFKVMROSXPAL-UHFFFAOYSA-N 452.514 0.666 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1 1360476394 LELMASIWCCPSGE-VCBZYWHSSA-N 452.537 0.850 30 20 JCED CC[S@@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503291541 SGVOROORGBWCCT-LHEBDHONSA-N 480.620 0.250 30 20 JCED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC1 1503823400 WKCACYJQUACKBD-UHFFFAOYSA-N 460.564 0.606 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)C1 1541569949 WDCYASGDOZHMDF-GBESFXJTSA-N 483.639 0.706 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1541879427 TXQHXXDKHKIXRL-FQEVSTJZSA-N 480.617 0.995 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1613028556 MISVMVWOYRHVGS-XAUMDUMWSA-N 468.580 0.281 30 20 JCED CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1615089194 KWIRMGOLYUXIAD-INIZCTEOSA-N 466.550 0.369 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCC[C@@H](O)C2)C1 1620171095 SLEXRZAFSGVDSR-KSZLIROESA-N 452.581 0.902 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)C[C@H](C(=O)OC)C1 1638207906 QDSFBELXRFAZHE-RDJZCZTQSA-N 450.561 0.847 30 20 JCED CN1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1644996996 SSVYHXAEWNRHSV-VXKWHMMOSA-N 456.566 0.773 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1=O 1730788537 IPBZVXOXHGSCOM-UHFFFAOYSA-N 472.571 0.937 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766944573 JWFNNJJWCCYNSX-UHFFFAOYSA-N 455.548 0.758 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 1770342646 FAMHLKQXXQUEHC-PKOBYXMFSA-N 460.560 0.910 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1778789105 RJMFTVDAGHIDNK-OXJNMPFZSA-N 450.879 0.720 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)CCO2)C1 1778967322 FJEVXPIIWWPKKI-LLJLJFOGSA-N 479.574 0.968 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779068109 RWRDDWJABGMUJY-FDDCHVKYSA-N 465.547 0.358 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1779336559 QYRHODXUSUYNDT-ISJRUSPKSA-N 468.547 0.568 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1 1781204810 OEVZOFILSFXMJP-YOSAUDMPSA-N 482.541 0.713 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781339341 CHCFFTBPCAHILF-RTGFIBOWSA-N 481.594 0.564 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](C)n3cnnn3)C2)c(C#N)c1 1782603124 AJPIXQSSCBQLDN-LERMDLETSA-N 467.530 0.871 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CNC2=O)C3)c1 1782971241 XYVBBGZNBTYMML-LSRZYVKLSA-N 467.526 0.993 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1)CCO2 1783053304 VPWVEIRUKCZBQV-CYFREDJKSA-N 469.494 0.751 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(c3cc(NC4CC4)ncn3)C1)CCO2 1783564874 BWTKFWWGLSZDFG-MZNJEOGPSA-N 482.541 0.185 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090512 VANQUBZBCMLMHI-GAJHUEQPSA-N 476.578 0.222 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1784313457 AQOATUBXKFIRAV-HTAPYJJXSA-N 460.535 0.979 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1 1784414074 DMGFYMFVPSYGJK-QAETUUGQSA-N 450.536 0.019 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1785571463 BPMFFXJPWVIMFI-NYHFZMIOSA-N 461.519 0.486 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787498478 OGDXVAMMRKVAAO-QNGDSUCJSA-N 485.566 0.719 30 20 JCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)[C@H]3C2)CC1 1788080343 UYBJJDWWLLJGNC-ZQIUZPCESA-N 461.482 0.468 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(C#N)c4Cl)[C@H]3C2)CC1 1789267754 BNOIIRSCNOHXKU-JBACZVJFSA-N 487.988 0.969 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)[C@H]2C1 1790687583 NRUZROINERHQOE-WJNVRWDZSA-N 454.405 0.211 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3=O)[C@H]2C1 1791186367 ZOKYUMWVTUXMOP-MUGJNUQGSA-N 490.601 0.895 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)cc1 1792423664 RCCQWOHXRAQXIS-UPHUGPLXSA-N 461.482 0.125 30 20 JCED CNc1nsnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1792483449 HJUFMAYJMUEYRP-JLVBRIDZSA-N 456.528 0.906 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CCN3CCCC3)nc1)C2 1793343473 YNPGMMXYHMSNEN-WRHDZBKDSA-N 454.571 0.961 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1793774334 WXBZVMLCMHURAM-SNCMPBNLSA-N 453.948 0.973 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C 1794571061 LTEGAYYCHMBWBW-YYIAUSFCSA-N 462.551 0.878 30 20 JCED O=C(COC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1797656609 PMBNZUDQZONRCP-YHEKRSGSSA-N 451.398 0.211 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)C1 1797739796 FNYHARGHHPXUOQ-QVXMBZQBSA-N 493.605 0.684 30 20 JCED CNc1nsnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799238015 SYUWPCUGKSZVDX-JLVBRIDZSA-N 456.528 0.906 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801069433 GEEYBVYPDYCTEX-YDLBFBONSA-N 498.580 0.973 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC(=O)NC)C3)N(C(=O)OC(C)(C)C)C1 1801101948 OIAWNKPHDFTCMQ-RCJHGTSTSA-N 450.536 0.278 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)cc1C#N 1801849204 PSVXXVNZMUZLGF-IZZQQSIFSA-N 478.509 0.751 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCN1C)C2 1802124520 DKWXFJABHAUNFC-USYVTKNRSA-N 462.591 0.977 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1806859985 POYWDEBIJVAVPP-JPYJTQIMSA-N 469.519 0.822 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1808280972 YYSIIXCZOAONKO-WBVHZDCISA-N 453.503 0.884 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)C#CC(=O)O)[nH]n3)ccc21 1818647757 CQSUGIQZZPXETL-HNNXBMFYSA-N 450.455 0.994 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1819424068 FJMRJGWXNHLQEF-LJQANCHMSA-N 491.614 0.831 30 20 JCED O=C(C/N=C/c1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1819477555 GXVAGRUVWHFRDF-LKKXKRCMSA-N 464.446 0.554 30 20 JCED CN1CCC[C@H]1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828617761 KYMKQMHXPZIZFL-NBGIEHNGSA-N 482.537 0.621 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829044687 PTSOYCULSSSMNC-FDDCHVKYSA-N 456.547 0.274 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)O)CCN2C(=O)OCc1ccccc1 1829321456 FSHRQHKYJQJJGG-PAOWDLQYSA-N 484.553 0.678 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)cc1 1829631385 IHFPNEUXLHIADT-QHCPKHFHSA-N 467.482 0.462 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1829766363 VAIWHGFEWJVEIJ-VRWDYKOXSA-N 482.541 0.275 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)CC1 1830063614 USEHUFJHZOSOMI-XMMPIXPASA-N 493.605 0.545 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)c4ccccc4o3)CCO2)C1 1830306010 DMLAJPVEEXHGQY-MZNJEOGPSA-N 454.479 0.901 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)C1 1830708710 JORVHRCJMKDEMW-YZZKKUAISA-N 464.563 0.314 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CCO2)C1 1830882837 YABQCGDNEWNHSJ-VWKPWSFCSA-N 473.592 0.397 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1831213710 UIIVQTRGGPOUSQ-JYFHCDHNSA-N 467.566 0.757 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1831388856 ZOKCWYKLFPZDPR-LXAKAXFHSA-N 469.538 0.354 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831420380 XVSXQHYLRAQFKH-IECBHUPTSA-N 497.589 0.670 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)C(C)C)C2)C1 1831997950 AHDKZBYYISSHAD-YZZKKUAISA-N 469.579 0.929 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1832000803 XKOAGPDEUAMMJK-WZONZLPQSA-N 492.577 0.594 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832668562 RRSFROJKXUJBCD-OSPHWJPCSA-N 489.525 0.835 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CC(F)(F)C(=O)O)CC2)CC1 1833075079 RVFMZEXKKLXOJB-ARJAWSKDSA-N 456.490 0.526 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834590300 FMLAESJEDWYKPA-CYFREDJKSA-N 488.541 0.774 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835145680 HKMHPPVHBAZKAF-GBXCKJPGSA-N 494.610 0.880 30 20 JCED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675599 YJIRMZQXQPMJLP-MHECFPHRSA-N 495.621 0.885 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3I)CC2)CC1 1835924820 OUSPOXKQJXDBPY-UHFFFAOYSA-N 455.300 0.833 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)c1 1835926288 KUHPPLPOOPRRHK-VOIUYBSRSA-N 491.508 0.428 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1cccc1C=O 1835953774 GTQQGCKYARXIBO-FDDCHVKYSA-N 459.547 0.600 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cn4[nH]cnc(=O)c4c3C)CC2)CC1 1836089722 GFQDWLKSXLKAAT-QGZVFWFLSA-N 468.558 0.555 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1837446769 OREPHQSJWXOOAQ-UJBXUPAJSA-N 481.557 0.809 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837731002 KLMATARLXUQFNZ-WSUGHFNESA-N 479.555 0.095 30 20 JCED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)c1OC 1838841471 YBKALZROLWTUBF-KSFYIVLOSA-N 464.519 0.970 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(C#N)c5)CCO4)C3)(C1)C2 1838908852 YJKORSGBLDSYLS-KXTRFFEISA-N 453.495 0.972 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CCO3)C1 1839108570 KKKDMQKULUQAKH-IECBHUPTSA-N 479.574 0.637 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Nc4cnccn4)C3)C2)c(C#N)c1 1839132474 HQETUTNEDWIAKF-CJAUYULYSA-N 494.552 0.856 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1839174668 QTAZBZOPXNQVJK-JOCHJYFZSA-N 457.487 0.537 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839205638 YWYJBBXXOXDOGB-KSFYIVLOSA-N 466.535 0.022 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2Cl)CCO3)CC1 1839423580 LFNRHFWQVVJJJB-DEOSSOPVSA-N 490.004 0.919 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C2)C1 1839808480 SQCMYAVQVKYBMY-UZUQRXQVSA-N 467.563 0.784 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839867365 JPDAQLMQBGODTJ-SAHWJRBASA-N 480.562 0.048 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840018431 KGKQLBAAUURYJI-YASKCIBGSA-N 491.585 0.738 30 20 JCED CC1(C)CCc2cccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2O1 1840042040 XHRDPGDMALUQOT-XMMPIXPASA-N 456.495 0.948 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCn2cncn2)CCO3)c1 1840355116 AHKVELPJCXFTEI-HSZRJFAPSA-N 452.515 0.629 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)cc1 1840896546 FUQCPVMXOKMOCA-OAQYLSRUSA-N 474.564 0.489 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)COCCOCCNC(=O)OC(C)(C)C)C1 1841434250 PHGWXEBPJJTTMN-FPLPWBNLSA-N 494.589 0.606 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 11677377 REJVJENQZNREIH-UHFFFAOYSA-N 494.570 0.472 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)C[C@@H](C)O1 481053438 SRROZPSUGSMIJG-ZIAGYGMSSA-N 453.496 0.134 30 20 JCED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 516350090 DLUACLOAASQMTL-CQSZACIVSA-N 462.509 0.930 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 518245363 YRPYDDYLGFCTMU-UHFFFAOYSA-N 499.552 0.812 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)CC2)nc1 518506916 HHDFFWYKEZBVHY-UHFFFAOYSA-N 468.539 0.475 30 20 JCED COc1c(Cl)cc(Cl)cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c1=O 524282265 ZKMMXHXJIBQJSC-UHFFFAOYSA-N 483.377 0.986 30 20 JCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cn2)c1 604164371 OOKBXQMZOOXUFY-UHFFFAOYSA-N 492.492 0.214 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OCCCC#N)c3)c(=O)n2C)CC1 608855641 USYMPHDDHRMEHD-UHFFFAOYSA-N 465.579 0.797 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CC(=O)N(C)C 609416728 GIIHMFNWOUFFSZ-UHFFFAOYSA-N 476.624 0.668 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)CC2)cc1 728219614 MCCUFXZNYZKLSF-DEOSSOPVSA-N 493.545 0.785 30 20 JCED Cc1cc(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(C)n1[C@@H]1CCS(=O)(=O)C1 821694131 UUNIHPHNOUKXEJ-OAHLLOKOSA-N 493.563 0.929 30 20 JCED CCc1cccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cnn(C)c3)c2=O)c1 839362451 WWRSKQNHAPDJAA-UHFFFAOYSA-N 451.552 0.851 30 20 JCED COc1ccc([C@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)N2CCOCC2)cc1 862609706 XSIJFVYSHZHOEJ-IBGZPJMESA-N 458.540 0.923 30 20 JCED CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 916705660 QHGUMGUWXIDPEE-LKUDQCMESA-N 478.619 0.582 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 917035518 PSABUYXYPISOFF-LJQANCHMSA-N 474.539 0.736 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 917385331 PJNPSVPNADLVBF-UHFFFAOYSA-N 473.536 0.018 30 20 JCED CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 918243150 IAWKUMJGFAZJDY-OFGUMHRGSA-N 479.603 0.911 30 20 JCED CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 919809870 RYTREMFXIJUOKB-UHFFFAOYSA-N 464.525 0.782 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286630927 WFZHYRCMHBEDCA-KRWDZBQOSA-N 495.993 0.721 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCn1cc(Br)ccc1=O 1298602865 RMTDKVCHYJKVOA-GFCCVEGCSA-N 453.318 0.966 30 20 JCED CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)Cn4cnc(C#N)n4)CC[C@@H]32)CC1 1451450536 SYFQDAUMMMGIFA-HOTGVXAUSA-N 458.523 0.544 30 20 JCED Cc1ccc(S(=O)(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)s1 1492437255 VHEUPJOJBKQTJG-OAHLLOKOSA-N 479.588 0.478 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1503773702 VKDYXEQFXWKBFU-FUHWJXTLSA-N 458.544 0.593 30 20 JCED COCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1504649616 PVJRHUYIYNQMIU-KXBFYZLASA-N 456.544 0.870 30 20 JCED C[C@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCNS(C)(=O)=O)C1 1510292119 MYBBNGKDESUKAL-GOSISDBHSA-N 451.578 0.949 30 20 JCED CS(=O)(=O)N1CC[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1518147668 OEOHGFPXWUWQOU-MRXNPFEDSA-N 454.574 0.357 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(CO)c2)C1 1555813939 VNBCUEBYYMWVBN-YLJYHZDGSA-N 464.523 0.594 30 20 JCED C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1649569496 RFTUNKHWYCEXNX-GOSISDBHSA-N 453.547 0.832 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CC1 1698312064 SASHHRCREIHASW-FQEVSTJZSA-N 473.603 0.745 30 20 JCED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)ccc1F 1707296730 TZOCSLFCZJGTLX-AEFFLSMTSA-N 464.523 0.836 30 20 JCED CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1709969976 MKGOTOCYABIPQL-GOSISDBHSA-N 488.570 0.601 30 20 JCED CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1748294387 MGAZGSHORKOVML-UHFFFAOYSA-N 481.586 0.868 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1750897492 IIICIRIQCUXPSB-SJORKVTESA-N 452.581 0.144 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)F 1752281673 PAZMVTFGMXYYKW-AWEZNQCLSA-N 488.503 0.272 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)CCO1 1769259628 PRWOMJYPHPYBDD-IBGZPJMESA-N 450.503 0.967 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104741 GJFBAQGEQGANSQ-YUTYXFNWSA-N 498.577 0.887 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779136934 NYWZUNJKPZTTAK-XPZLASIKSA-N 464.519 0.414 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1cccnc1)C2 1779420134 OJLYWXUDYSKUOR-HRXCTVFFSA-N 487.557 0.854 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CNC2=O)C3)c1 1780089292 UBYQWDZUCFLHRT-WZONZLPQSA-N 469.498 0.246 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780197037 BLLYTDIUJWPXSA-OYHNWAKOSA-N 457.487 0.713 30 20 JCED C[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170194 VMSRPOHWYGCGSW-ZHRRBRCNSA-N 450.536 0.738 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1781271475 SZUPBKCAXPTCGT-HSZRJFAPSA-N 459.547 0.672 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)ccc1F 1781295261 LHEMGMWSJIWHHC-NRFANRHFSA-N 456.434 0.875 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c1 1785076262 VTRFRJPZUCIEOF-YWZLYKJASA-N 450.432 0.482 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785383583 UKLFWCSWLIZCFY-BVZFJXPGSA-N 477.521 0.980 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786645357 ZJOBWPTYQVMJOW-QAETUUGQSA-N 473.592 0.480 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]nnc5n4)[C@H]3C2)c(Cl)c1 1787271169 ZEXPWACPIWQBMB-JDFRZJQESA-N 482.888 0.245 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1788775732 QCRICWHQLRWKID-GIUOSPMZSA-N 460.506 0.371 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccncc4=O)[C@H]3C2)c(O)n1 1790580150 GYRUOETYJTWESQ-VDGAXYAQSA-N 467.526 0.756 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccc(O)nn4)[C@H]3C2)ccc1F 1790591111 IIAHSARHTPFMDN-IEZWGBDMSA-N 469.473 0.794 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCN(C(=O)OC(C)(C)C)C4)C[C@@H]21 1790792583 SGAZSCJGMOMLAG-IEZWGBDMSA-N 457.531 0.860 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791351601 WEMDQPADONAFKE-BCYZHJNNSA-N 476.574 0.409 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)c(N(C)C)c1)C2 1792489848 ZQUCOSYNODEZPB-ROAZTASUSA-N 456.543 0.823 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N 1795466733 LTTVPJLZTBAUFB-QKPAOTATSA-N 456.565 0.866 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)SCC(=O)N2 1796291064 VSCNPGYTULENLS-JLRLZTEKSA-N 470.551 0.792 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1797587878 QZNRSAFEWOANKN-VLWCASSMSA-N 450.879 0.479 30 20 JCED Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3(O)CCCCC3)cnc2s1 1797782648 GRUJIKCWMKWTPH-XEMDLRDOSA-N 484.578 0.966 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1799233168 LSMOGHMDYJAHQI-GQUPQBGVSA-N 490.601 0.799 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1799364709 BEBZHLYKICYGKK-SFNKJDCFSA-N 481.594 0.134 30 20 JCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1801166435 HZLIEZYJRIYXGE-CWPLJXCYSA-N 462.510 0.968 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cncn1 1801356708 ZQZGIXPOQPTHCP-AVEIZBFRSA-N 462.551 0.898 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1OC)C2 1802125335 VJBZDTOHBQOTDS-CYGHRXIMSA-N 475.546 0.549 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1810285699 GDSKHUKKHZPWEX-QKQINCMDSA-N 490.630 0.985 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)ccc2F)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812391924 IMADZINKYVYPAA-OXQOHEQNSA-N 467.457 0.955 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1814063112 ZVONCJCIARSPOO-SFYKDHMMSA-N 464.526 0.631 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)nc3cccnn23)n[nH]1 1820145109 GJSPLICJIWHHMU-HLRDLLSLSA-N 476.497 0.977 30 20 JCED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1825105108 KNTLQOQWRAMQHK-GOSISDBHSA-N 468.558 0.467 30 20 JCED O=C(CN1C(=O)CNC1=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828971196 WPEMNONLUIUVMF-FFRRBZOQSA-N 463.535 0.687 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3C(F)F)C2)C1 1829769252 PDMICKJODWDUBJ-NYPGBQQYSA-N 467.473 0.515 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[S@@](=O)c3ccccc3)C2)C1 1829771231 MURFQFABJADBGB-SKTOBPOWSA-N 489.594 0.498 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1829959705 JASZSGAHPSLTRY-PWAGRJGVSA-N 454.527 0.910 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1830054256 JAKXHRJAFMLVDQ-FQEVSTJZSA-N 450.517 0.105 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1830883482 DTUQDRUEFDPTLC-OPAMFIHVSA-N 466.535 0.022 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c(C(F)(F)F)n1 1831018184 WDKPWESOZMFDFX-FQEVSTJZSA-N 497.430 0.494 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831223780 YNKGYEILDSFMJP-QFIPXVFZSA-N 465.522 0.815 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2 1831319083 VMHAZOWEDKFSJR-DYESRHJHSA-N 457.593 0.539 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)C2)C1 1831387440 HWHZABZRMDVNEO-PPYVPILRSA-N 491.585 0.879 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1831388802 XRRMAUISDBGCGI-WVMBUTMQSA-N 493.557 0.060 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)C2)C1 1831392133 JHVIKHAVEMIKSV-MHECFPHRSA-N 479.574 0.738 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1832000290 LCEKAZNWDUUQNQ-VGOFRKELSA-N 468.551 0.048 30 20 JCED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1832298830 RZCRTJFPAJZVDX-QHCPKHFHSA-N 458.515 0.262 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832425007 YMNXIGJOMRJEEG-AVRDEDQJSA-N 452.552 0.646 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cc1cccnc1)NC(=O)OC(C)(C)C)CCO2 1833106700 FTZFKNBLEZIUAT-CYFREDJKSA-N 472.542 0.607 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)cc1 1833107554 ASAONUZNQACTJV-HXUWFJFHSA-N 466.542 0.270 30 20 JCED COC(=O)N[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)c1ccccc1 1833224396 VJSXSBIGLUTEQP-JOCHJYFZSA-N 470.526 0.743 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834168525 PZBCSFCTKFCKDZ-WZONZLPQSA-N 477.562 0.960 30 20 JCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CC2)CC1 1834604890 UTHYTBUPDNISFS-UHFFFAOYSA-N 481.601 0.897 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1835096136 QYESCYDHWQTFMF-RUZDIDTESA-N 453.539 0.897 30 20 JCED O=C(NCCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1ccc[nH]1 1835096150 RUETUNVASHYYRH-RUZDIDTESA-N 464.522 0.643 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835117473 LRFJMFVZAQZPLN-DGGJZMOXSA-N 480.562 0.191 30 20 JCED Cn1ncc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cccc21 1835676833 CGZUCGMORRKKJR-XMMPIXPASA-N 468.558 0.925 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1835680856 OOUOPVZOIPGVMJ-AREMUKBSSA-N 499.612 0.875 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681058 OEZCJAODZZCPBB-HSZRJFAPSA-N 460.579 0.318 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835686997 ULHTYUDLLRIAOW-MBSDFSHPSA-N 458.563 0.620 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1836470463 ZGWNOSOFOIBSAU-RZZUAFPKSA-N 473.530 0.395 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1836860138 XJGAITSCWSDEQF-OAHLLOKOSA-N 467.613 0.884 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837381781 IZGJRNCVCHNQRW-MMIJAHHVSA-N 478.571 0.651 30 20 JCED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533429 TXBFGOBVSCRZRU-QXWLRXRCSA-N 459.565 0.086 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1)c1ccccc1 1837616452 GEIHNAOAHDZICS-BKMJKUGQSA-N 478.549 0.897 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CC(c5ccccc5)=NN4)C3)C2)c1 1838740325 KFHCGMIZDTUMLZ-XUZZJYLKSA-N 462.510 0.723 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838767326 BTFYMHMNHWSFCX-SFHVURJKSA-N 475.424 0.403 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)cc1 1838798129 DOXNLBCGVQZFEQ-QHCPKHFHSA-N 454.483 0.741 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(Br)nc3)CCO2)C1 1839027805 VWHIJWCZWSMEMA-HRAATJIYSA-N 480.359 0.881 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)c1ccc(F)cc1 1839039810 CJXDPVHUEFSONK-IQVOZAENSA-N 453.536 0.778 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Oc3ccccn3)C2)C1 1839176105 WEEWQLGKMGXQTG-WZONZLPQSA-N 461.515 0.815 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1839185049 LWOOSXMBRVXWOE-SBUREZEXSA-N 492.577 0.745 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1839223947 CACNZHBTNUJIDV-MEKIYTOJSA-N 458.559 0.958 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839380047 WMZKLLURWQRBCG-DEOSSOPVSA-N 481.557 0.619 30 20 JCED Cc1ccc(-n2ccnn2)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1839478556 DTHSLWLIGDTNSZ-QHCPKHFHSA-N 450.499 0.950 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839666143 SFFSRHCPRZHXHT-IUKKYPGJSA-N 460.531 0.247 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1839880443 QMVSCXIKYOVVNZ-SPLOXXLWSA-N 493.358 0.915 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1839887550 IJBFGGLRNDMNSL-IIBYNOLFSA-N 490.548 0.896 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840006001 HNTHNVZKKXXDKB-XPPIMPSXSA-N 464.515 0.296 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840160516 JCKKNRMWNCBLDW-STXHMFSFSA-N 461.581 0.301 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCCCC(=O)OC)CCO2 1840234669 ZEXYKBFAPAOCDP-DJYGDJEFSA-N 465.547 0.425 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840252085 MMRZAUMVUWALAZ-UUOWRZLLSA-N 477.558 0.988 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840908792 HBRNERGHSNGPMP-KSFYIVLOSA-N 497.618 0.376 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)Cn2ccncc2=O)C3)CC1 1845137563 KAZRGSKXOQGKAU-UHFFFAOYSA-N 484.557 0.988 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CC(N)=O)C2 1846365727 RQURXLZFDJNTPG-HOTGVXAUSA-N 495.577 0.507 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1C(=O)Cc2ccccc2C1=O 1847258972 NZKFARBVXULGHD-COJDAZNPSA-N 464.522 0.662 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1847640894 SBAWKHRJACKISM-ULQDDVLXSA-N 453.536 0.973 30 20 JCED O=C(COC(=O)CN1C(=O)CCC1=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 104599742 HPVDKIBPJHVPMM-UHFFFAOYSA-N 464.500 0.568 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)c1 507490279 GXQBLLQJVBGORM-QGZVFWFLSA-N 452.577 0.450 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)NCC(N)=O)cc3)CC2)cc1 512584576 WGORMEVSAKQBIV-UHFFFAOYSA-N 469.523 0.813 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(CCc2ccccn2)c1=O 523577405 YOWNUVBEGXGJCD-UHFFFAOYSA-N 457.519 0.818 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OCCCC#N)c2)c1=O 608855253 DUOMVOVYUXFDSQ-UHFFFAOYSA-N 495.605 0.564 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 608911542 IOWBHHAJRNUJKL-UHFFFAOYSA-N 454.533 0.997 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 642559259 IDXFZEFRCVWLLQ-UHFFFAOYSA-N 478.552 0.524 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1 642960769 GZQPXMQHUWSWSJ-HXUWFJFHSA-N 465.620 0.820 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OCCCC#N)c2)c1=O 726783344 GAJYNSXGUPRXRL-UHFFFAOYSA-N 482.562 0.601 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 729323666 SVJINZMSILHDSS-DJUDNFEDSA-N 477.587 0.619 30 20 JCED CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)s1 753146244 GQZCQAYOPWBOLE-UHFFFAOYSA-N 485.565 0.416 30 20 JCED CCN(CC(=O)NC(C)C)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 792349877 DCMYZNGWTABPOK-UHFFFAOYSA-N 478.571 0.875 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)c(F)c1 839359064 YVZOQFVHYNKRLU-UHFFFAOYSA-N 455.515 0.736 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)n(CCOC)c3C)c(=O)n2C2CC2)CC1 839377777 XIJBPGNNIABWDW-UHFFFAOYSA-N 483.638 0.977 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 918254052 GIWWWTRFVIXFQW-NCELDCMTSA-N 475.571 0.955 30 20 JCED CS(=O)(=O)c1ccc(CNC(=O)COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 918819505 UKVNQJNZWBEECW-UHFFFAOYSA-N 493.563 0.768 30 20 JCED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 919816467 DVELYFRDGZEDEP-IEBWSBKVSA-N 469.585 0.623 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)CC1 1288986095 MDDUBJRMMSLOPJ-OAHLLOKOSA-N 467.621 0.738 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCS(=O)(=O)NC)CCOC1 1296673027 TWPDODMOWGSUOI-KNQAVFIVSA-N 490.586 0.929 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1297716980 JEJPQJSZKQNFKU-KRWDZBQOSA-N 462.532 0.115 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 1298878145 JUXKBZFLQONJAO-NRFANRHFSA-N 459.576 0.401 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1302481052 YCKPEUPZDAYUAU-QGZVFWFLSA-N 478.600 0.723 30 20 JCED COC(=O)N1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1315113982 NBHAXZUVAGIIBK-CVEARBPZSA-N 452.537 0.387 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 1446145242 ZQJTXCQNXFLDFT-DOTOQJQBSA-N 457.535 0.901 30 20 JCED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)C2=O)cc1 1467706802 JVNJTLHMBOIYDY-QGZVFWFLSA-N 458.496 0.703 30 20 JCED CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1503733178 JAOWGHTUZQNNAK-NRFANRHFSA-N 475.575 0.583 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CCO1 1503771891 KNUHTMUUWDOTIX-VQTJNVASSA-N 453.547 0.615 30 20 JCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1505145403 OXOGUNIRPXTEAF-INIZCTEOSA-N 466.589 0.627 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CCN1S(C)(=O)=O 1505283158 YPVBCMBUYCTIBA-INIZCTEOSA-N 455.548 0.969 30 20 JCED CCc1nn(C)c(CC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1513767739 VIZVTOUNGZMYED-DOTOQJQBSA-N 489.650 0.971 30 20 JCED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1519523619 MCZOVRRKEFPGEE-UHFFFAOYSA-N 487.586 0.826 30 20 JCED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c(=O)n1C 1542392908 UGTRUESNNCORSS-NVXWUHKLSA-N 463.564 0.405 30 20 JCED CCCNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1547243251 VPUMLIYYUDIGSF-MRXNPFEDSA-N 453.569 0.267 30 20 JCED N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2=O)cc1Cl 1565963798 ZQPZAWBJSWPSCF-DLBZAZTESA-N 459.934 0.614 30 20 JCED CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)CC1 1652998891 WLUGZJNCGOIEAB-UHFFFAOYSA-N 452.515 0.072 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690346691 ZPVLBKZGVDCXOI-INIZCTEOSA-N 459.016 0.923 30 20 JCED CCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1695855471 XCYRLXBWNGOHEQ-QRQLOZEOSA-N 464.640 0.939 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1698319854 QLOITYITPIJOPH-RBUKOAKNSA-N 476.559 0.662 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1711415545 PXUHRVGMUBPEOB-UHFFFAOYSA-N 464.534 0.951 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(=O)(=O)c2ccccc2)n1 1742713185 LRCLCEQUGWJGNL-SFHVURJKSA-N 470.559 0.847 30 20 JCED COCCN(CCC#N)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1749832467 JEUUAUOTVQMUST-FQEVSTJZSA-N 451.524 0.924 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(N2CCOCC2)CCSC1 1751215776 UZGONJJPSAIANS-IPELMVKDSA-N 487.627 0.538 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1C 1769381042 VPSUHHXMAKECCV-UHFFFAOYSA-N 458.548 0.956 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1779175124 GFCXUANRRKKBBY-AVRWGWEMSA-N 476.537 0.929 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN(CCO)CCO)C3)ccc1F 1780758327 PYFWVBINDKVFES-ZJSXRUAMSA-N 476.549 0.040 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCC[C@H]3NC(=O)OCc3ccccc3)C2)C1 1780963910 LJGUCPPKAROORL-WZOHSFFVSA-N 483.521 0.999 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195310 YBGHMYHCWDNZQM-HOYKHHGWSA-N 498.540 0.764 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782845711 UINJGDFVVYRJQK-CWEBNLNKSA-N 481.475 0.832 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783455173 GEOMBNHZVJWFNF-XOBRGWDASA-N 468.576 0.900 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C[C@@H]21 1783531773 VGCSVZLXKHTMQM-RRXZQZRWSA-N 464.526 0.923 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783644481 ZNRZZPLPEGLLNQ-SKYHNFRHSA-N 491.541 0.176 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)NC(C)=O)CCO2)C1 1783769242 PULHXNZTOQDXGE-JLDZCNIISA-N 452.552 0.810 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783836522 WKHIHWWCPMWIPU-HTAPYJJXSA-N 485.603 0.558 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783836526 WPLZEXYGQFMMFC-FDDCHVKYSA-N 499.630 0.948 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)CCO2 1785430237 RMSNFFCKVWBLRH-QHCPKHFHSA-N 462.547 0.309 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1785573125 QYQFZRWINUMHIF-WZONZLPQSA-N 459.547 0.938 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785711584 XMALVDPNSJIJDR-OYSPMZIOSA-N 465.572 0.652 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C[C@@H]21 1786858173 LYQMIFKLLVHHQB-IHPCNDPISA-N 491.614 0.501 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786891728 QOSCPGGLXJTYGM-OKYOBFRVSA-N 450.656 0.610 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)nn3-c3cccc(=O)n3C)[C@H]2C1 1787153999 PTDLHVJXCWGZAX-BJLQDIEVSA-N 451.527 0.886 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(C)nc4ncccn34)[C@H]2C1 1787980880 YNVCIMUNDJOGBB-SKNOTLCPSA-N 452.515 0.489 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)c([N+](=O)[O-])c3)[C@H]2C1 1790022003 ZUCSKQWJKKYKRN-GRNXDFJHSA-N 458.471 0.752 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1790176677 ARJSIWLVSJVTIC-MWUWBQKZSA-N 498.540 0.871 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4c(F)cccc4n3)[C@H]2C1 1790416857 LZXHGCNDVSCGJN-LZPLBESISA-N 455.490 0.925 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792633478 UCZIWWSJAADRIP-ZMMAXQRCSA-N 493.605 0.887 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2 1793349995 UVEMTWLRLRPALA-UYTYNIKBSA-N 467.563 0.279 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)c(C(F)(F)F)n1 1795388830 DFYKMNRGPDTPSA-YHYOWMERSA-N 451.405 0.454 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795416456 UCIRWXJPLUBGBY-XSDDWTICSA-N 464.563 0.888 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795443661 IJYKZRXKASSTAF-IIZPIQPGSA-N 493.649 0.683 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)noc1N 1795577500 GLMCRRWBNADGHC-JYYAWHABSA-N 461.519 0.685 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C(F)(F)F)cn1 1796067406 HXYZHUXCBGVMLI-YWVIFJGQSA-N 454.453 0.980 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C=CCN1 1796753030 WBYUTMZIKJCFEX-XCDZQEORSA-N 491.589 0.958 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)c1 1797809012 XVRUGUDDFSAEFU-OYGISIJKSA-N 480.543 0.217 30 20 JCED Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)no1 1797810885 AQMOSGKTEWSFCO-VNZKTDEFSA-N 463.491 0.430 30 20 JCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1800542658 DAIJHRPFNTYZEH-GYFISPQKSA-N 465.497 0.967 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800778451 YBGUWBUYNUQEAA-RUEZSYAVSA-N 467.494 0.259 30 20 JCED O=C(O)C#CC(=O)N1CCC2(CCCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)CC1 1807828494 AAMFPMDFZUCCHI-UHFFFAOYSA-N 467.526 0.341 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cnc3c(c2)NC(=O)CS3)[C@@H]1c1cccnc1 1812218206 LVHUMSNJYSAUDZ-VLIAUNLRSA-N 465.491 0.928 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828575844 SHROHEUAGVOITE-RUZDIDTESA-N 463.490 0.940 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ncnn3C)C2)C1 1828579314 FEMHLZCLWBLILI-CLOONOSVSA-N 494.552 0.919 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1829263148 LRPFHEHPEAOPLW-HOYKHHGWSA-N 454.527 0.939 30 20 JCED Cc1c(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)cnn1C 1829332524 PWSPPEDWUQVZPE-VWLOTQADSA-N 493.520 0.882 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CN(C(=O)c3ccccc3OC)C1)CCO2 1830429072 VHPPOJBNXZKAAB-VWLOTQADSA-N 469.538 0.637 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c1 1830458904 LWMSGQVMOKVNKS-DEOSSOPVSA-N 456.543 0.279 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830761731 WJXMPXSQLSZOTB-UMEGOILYSA-N 492.617 0.844 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)C2)C1 1831387436 HWHZABZRMDVNEO-NWDJMSLTSA-N 491.585 0.879 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1831402382 XMJXBNHESCJPPN-CIICBDETSA-N 491.585 0.594 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831407073 MUXSBSGBLMKUHA-RUZDIDTESA-N 488.585 0.971 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1831427989 WRVTZQASJZAKPP-WZONZLPQSA-N 455.515 0.928 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1831432217 JBVPGQNHECYFMP-JTSKRJEESA-N 455.552 0.947 30 20 JCED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)c1=O 1831895321 NLXIYPWTXDZPTE-XMMPIXPASA-N 466.494 0.406 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CC=C)NC(=O)OC(C)(C)C)CCO2)C1 1831998731 RUCLENYPDZVJRO-YDIMBITNSA-N 479.574 0.951 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1833075010 NAUCUDLBHYTRJZ-ARJAWSKDSA-N 459.507 0.362 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1 1833272432 OEXDWETVAMTOFR-GOSISDBHSA-N 451.568 0.747 30 20 JCED CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1C(=O)O 1833606736 SPNBELXCVJUBCJ-HSZRJFAPSA-N 490.561 0.514 30 20 JCED Cn1ncc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1C(F)(F)F 1833926382 QLKIXJSKKGUGLH-UHFFFAOYSA-N 455.437 0.712 30 20 JCED COCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1834978224 HZFMRTZFQBFOLJ-IERDGZPVSA-N 475.608 0.691 30 20 JCED Cn1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c2cccnc21 1835678105 YLLDBDKJGHMOMZ-XMMPIXPASA-N 468.558 0.925 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)c1 1835703505 VMTNSRFQGGLVTG-ZJSXRUAMSA-N 465.510 0.732 30 20 JCED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)C(=O)O 1835767673 LHMDREMWJYSAFL-NHXGSGLFSA-N 467.567 0.150 30 20 JCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)N1CCN(C)CC1 1836374182 RTYABNTVDMJFIF-VIHXGXMLSA-N 472.634 0.906 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)cc1 1837275290 RURYCHWOMRZBIL-JOCHJYFZSA-N 453.503 0.156 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530860 SAIHMMHLTCRIBE-KHLOOKIASA-N 467.519 0.481 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1837532760 GCPGZDLEHJGDAS-IEBNWSOASA-N 453.536 0.523 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-c4ccncc4)[nH]n3)CCO2)C1 1838011571 VZUHCDSAPLCBJJ-XMMPIXPASA-N 481.557 0.824 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cnc(O)[nH]5)CCO4)C3)c2c1 1838071070 NCKSSQXXVWRRRC-OAQYLSRUSA-N 451.443 0.247 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)c1 1838579230 HBVOGJYPVVHMBF-QHCPKHFHSA-N 451.483 0.670 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742003 LVHQCZZINFOQGV-IVZQSRNASA-N 461.519 0.870 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742303 CKYYAWLIYPMOFQ-DHLKQENFSA-N 497.527 0.843 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839136121 IFNDIZSPLFTQBJ-HXOBKFHXSA-N 496.561 0.593 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1839174880 BNUOWCAUTBKSDT-HSZRJFAPSA-N 456.499 0.914 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361399 IKIHRNFZPYZKIA-JTSKRJEESA-N 463.556 0.503 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)c(OC)c3O)CCO2)C1 1839375746 JAMZNWGGOJWRJT-QMHKHESXSA-N 462.499 0.518 30 20 JCED C[C@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401065 OJAKVQNSXYMPDL-JLTOFOAXSA-N 465.348 0.986 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839422949 TYZSGHPIAFEURM-QVKFZJNVSA-N 498.989 0.609 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCN(C)CC4)C3)C2)c1 1839452393 AOKSUJJWGWMFFD-DEOSSOPVSA-N 455.559 0.184 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1839452472 DBVKUDFFBZBNIX-QHCPKHFHSA-N 465.466 0.739 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)ccc1-n1ccnn1)CCO2 1839477624 AEOBDAUXUMYPNI-KBDOHKNDSA-N 494.552 0.504 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840045256 ZNBRGIXAYBFAJB-GAJHUEQPSA-N 479.530 0.390 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1840071662 CRXHVYDOWIQQGL-FRMGNDQPSA-N 487.619 0.522 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840157363 MNCKRIAITDMGKH-AVYPCKFXSA-N 461.581 0.037 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251918 FKKFUPNKOJWXQE-ZWNVHGDVSA-N 479.574 0.779 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(N)=O)C3)C2)cc1C#N 1840763694 MXHDUGNIESKZQC-HSZRJFAPSA-N 458.515 0.681 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OC)C2)C1 1840913663 KHESQHLVIBTMSV-MBKAAHDRSA-N 467.563 0.947 30 20 JCED O=C1CN(c2cccc(C(=O)N3CC4(CCCN4C(=O)/C=N/O[C@@H]4CCCCO4)C3)n2)CCCN1 1844299681 KVFPLJXZPGTXAH-MNVTYAKESA-N 484.557 0.754 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)cnc2C1 1844623076 DCIUHTHCWURWQZ-UHFFFAOYSA-N 457.487 0.539 30 20 JCED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C1)C(=O)O 1846301525 SPFPQWYYDNBSHS-DZGCQCFKSA-N 472.608 0.854 30 20 JCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 604533342 AMIRPJZBSUOLEM-LJQANCHMSA-N 462.554 0.936 30 20 JCED COc1ccc(OC)c(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)c1 608826693 JDKIRQPTZCPYFE-UHFFFAOYSA-N 451.508 0.431 30 20 JCED C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 726294582 VHGXAZQFWVTQEO-ACNSNUFOSA-N 451.549 0.275 30 20 JCED Cn1c(N)c(C(=O)COC(=O)c2ccccc2N/C=C/C(=O)C(F)(F)F)c(=O)n(C)c1=O 756281072 HOTVOWPXKJZCDP-BQYQJAHWSA-N 454.361 0.763 30 20 JCED CN1CCN(S(=O)(=O)c2ccc(NN=C3C(=O)Nc4cc(N5CCOCC5)ccc43)nc2)CC1 915948532 UKIRGEQJYVDBFG-UHFFFAOYSA-N 485.570 0.623 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCC[C@@H](O)C1 1288863238 OSPVNCHMVQOVOK-CWLKWCNXSA-N 451.597 0.616 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ccccc2)C1 1302484373 OTGIINDOIAILJH-MSOLQXFVSA-N 462.532 0.419 30 20 JCED CC(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359638526 ZVBCRZXJXNZFEA-QGZVFWFLSA-N 480.577 0.663 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1468699719 XTABANGDTRKXHO-GOEBONIOSA-N 454.574 0.545 30 20 JCED Cc1csc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)n1 1492648885 KWWKCHBHQCIRTK-UKRRQHHQSA-N 450.594 0.878 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1503833396 KGPXZZFKKYDEMQ-UHFFFAOYSA-N 458.548 0.360 30 20 JCED C[C@H]1C[C@@H](C)CN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1512007959 UCUQICQZYKRINK-IYWMVGAKSA-N 495.650 0.708 30 20 JCED CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1615213419 KZCXFBSPTPCCCS-QGZVFWFLSA-N 466.589 0.769 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 1668036098 MGJAJMJUAJROPT-AWEZNQCLSA-N 450.546 0.498 30 20 JCED C[C@@H]1CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 1743341296 SWBHXKRFYXKFSK-DCXXXQMHSA-N 499.613 0.552 30 20 JCED CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1OC 1750190601 ZPGOGRBSHSSDPI-SZPZYZBQSA-N 483.573 0.743 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(F)c(F)c1 1761503288 ZEDOIPHHBNBOBA-OCCSQVGLSA-N 456.475 0.974 30 20 JCED CS(=O)(=O)Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1770326844 OEAAMNCCRBPLGH-GOSISDBHSA-N 458.544 0.722 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778758092 VQKZYXSZFYSHIZ-SFGWALBWSA-N 486.635 0.973 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2C(=O)OCCO)C1 1780082661 SLVWSZANMDNIIK-WZONZLPQSA-N 458.467 0.051 30 20 JCED CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C4)CC2)CC1 1780648508 BBSRVWJZDKGMNB-HYBUGGRVSA-N 474.650 0.562 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780949818 HDMHQTZXWAEIGA-DEOSSOPVSA-N 451.527 0.800 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781859676 TXRIRDVLLAFHIR-ACIVSAMGSA-N 453.540 0.131 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)C2 1782010902 KSCPMPOXJBTVQC-PRCFCKQXSA-N 473.551 0.699 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C1)C2 1782852214 UTQLRZUAAOOHOW-MHECFPHRSA-N 454.527 0.866 30 20 JCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1783200802 IFRINEJYEQVTLN-SCLBCKFNSA-N 451.442 0.820 30 20 JCED CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567806 AQQRIDGMLGLWBK-KSFYIVLOSA-N 451.520 0.844 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@H]4NC(=O)NC4=O)C[C@@H]32)c1 1783912914 KMJQZFHAKDNEMC-OKYOBFRVSA-N 453.499 0.069 30 20 JCED COc1ccc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(OC)c1OC 1784203009 VVBUTNSUECAPKC-ONQJJZRUSA-N 472.494 0.793 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1)c1ccc(O)cc1 1784581487 MWRIUFKKYJVMCZ-XYYCENQHSA-N 455.511 0.977 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1)NC(=O)OC(C)(C)C 1784601998 VDIKNEHWCBGZMA-PNLZDCPESA-N 477.566 0.924 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1784786693 YMHPMQCXIODRPY-MFPFFRNPSA-N 496.605 0.086 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]3C2)c(Cl)c1 1786793073 VVWKACMZFPRFJF-QRTARXTBSA-N 470.850 0.530 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788653148 WBJJICYUWPXAOX-MYHAOBESSA-N 498.577 0.381 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789904530 WTRYAEFZSDZKBX-XSLAGTTESA-N 463.531 0.914 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1791044904 OROQXTPDNXZMNC-DFQYRXGOSA-N 475.542 0.701 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791080723 BSKJTHCIXJZBPU-FJIDUMEYSA-N 463.531 0.844 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1792795348 JGSWMESEFXBTRX-UKDKCTMISA-N 499.630 0.276 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792887530 IXKWXJKHIOLHBZ-ZHCJQAHYSA-N 455.552 0.035 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N)s1 1795688668 NWPKLDUOZHRMHO-HLPPOEQASA-N 463.560 0.845 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742077 CTIHSDCQNWUHKQ-SDLRXTLFSA-N 481.594 0.587 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)c1 1798579492 HSNZIYQLRDDMHH-UPHUGPLXSA-N 481.465 0.540 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)N1CCN(C)CC1 1799183634 GGXZFIIXXAVIDK-UPKOEFQTSA-N 460.600 0.713 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1799684387 IGJPKMKIEDOZSQ-MNDZRTMASA-N 474.514 0.370 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C#CC1CC1)C3)C2 1800325952 XEZVLLMRGRGMOH-UGNRZPKXSA-N 454.527 0.625 30 20 JCED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C1 1806023258 HETALILAIYIEBV-QGZVFWFLSA-N 486.573 0.256 30 20 JCED N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1807116613 WUQMUPVOJSKTCV-ANKSBLQRSA-N 457.535 0.456 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c(C#N)c1 1808164118 AMJMZXIUVBDAEF-HOYKHHGWSA-N 490.520 0.762 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1810285697 GDSKHUKKHZPWEX-KGOJFESUSA-N 490.630 0.985 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1810399527 NZOQPMQDVRJKCB-KQLUBGJGSA-N 457.531 0.086 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 1829334781 NPQRGHPLIHLKSM-CJFMBICVSA-N 483.521 0.953 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831999175 XIIITHSUENFFRE-OPAMFIHVSA-N 468.551 0.000 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CNC(=O)OC(C)(C)C)ccn1)CCO2 1833602397 FAFKJSVYQQXPNL-QHCPKHFHSA-N 458.515 0.810 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833653220 ZQQTYWCTFFAQFA-GBXCKJPGSA-N 469.542 0.910 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835197177 QLRKYDFKWKQEBW-DVECYGJZSA-N 479.574 0.786 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nnc4cc(C)nn4c3C)CC2)CC1 1835339055 ALGAHHZWDWUGRN-SFHVURJKSA-N 467.574 0.965 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)[C@@H]2C1 1835363021 ZNHRNXCNSIOYSC-ZQYRFBGISA-N 462.547 0.859 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccc(C(F)(F)F)cn4n3)CCO2)C1 1836290023 VQCFBCJKTXFRJB-YCRPNKLZSA-N 495.458 0.856 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c(C(F)(F)F)n1 1836321822 LIXVZOQEJKOMJK-FQEVSTJZSA-N 495.414 0.836 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380968 PUFPZKXZXWMVJE-LIRRHRJNSA-N 457.574 0.015 30 20 JCED COc1ccc2c(c1)CC[C@@H](CC(=O)N1CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C1)C2 1836634424 GLNKJVFLQOPQKH-CJAUYULYSA-N 470.522 0.735 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837152285 JIQQBQPBGYLDLH-WAIKUNEKSA-N 458.515 0.801 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837482952 GWHIDJACOVUUIU-UZUQRXQVSA-N 450.499 0.919 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1837529688 BNZFCFUWCIOLCX-PBPYGMEZSA-N 477.518 0.265 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1837531735 VNMUWSQHSYBLFM-HUGLXHGBSA-N 468.457 0.959 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1837533631 YAGRXUXTLVFBHT-DVKIFHDUSA-N 453.536 0.789 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnncc4C(=O)O)CCO3)C2)c(O)n1 1837944657 NLYDOZOUIINLKF-DEOSSOPVSA-N 497.508 0.778 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839124329 YJZVXCCFIWDRHL-DQMJNTIXSA-N 478.590 0.502 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn(C)c4)C3)C2)c(C#N)c1 1839131351 CBNAZEQDEOYCEK-HSZRJFAPSA-N 453.499 0.613 30 20 JCED CC[C@H](C)[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1839139058 XYIQXLMHXVVHTL-RHGYRFJNSA-N 495.573 0.860 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1839174235 OBDXYADGDCSAMD-QHCPKHFHSA-N 460.531 0.727 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1839174906 CMRJCVTXWMMKAH-MBSDFSHPSA-N 461.515 0.375 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN)C2)C1 1839190935 LXXXVVSGPQMJGU-AUSIDOKSSA-N 460.531 0.273 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cncn1 1839489009 MIINZTKKPWWYMG-IVZQSRNASA-N 464.486 0.357 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1839888801 JZZQMVNNCNKOLJ-FQEVSTJZSA-N 467.473 0.298 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840169350 ZERITLXEYIVQKV-YDIMBITNSA-N 479.574 0.474 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1840175441 QVJXAGXKCYLHRW-HXOBKFHXSA-N 460.531 0.655 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840176301 GVUXKGICBYZBOH-VGSWGCGISA-N 453.536 0.655 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)ccc1F 1840193503 JDEJTCBGXWJTCG-OAQYLSRUSA-N 465.503 0.514 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818557 JDUFYBJFIFEROP-JOCHJYFZSA-N 477.539 0.300 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840852269 JHJYVZNJAJHNQD-GCJKJVERSA-N 451.568 0.029 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(C)=O)C2)C1 1840907410 UNSMIVRFOPYQCG-JPYJTQIMSA-N 465.547 0.729 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1840908836 IIIOVIDMIDTNME-OIMFZILRSA-N 465.547 0.130 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1840916649 VVXPNKYKMZQFEE-VGSWGCGISA-N 455.552 0.683 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 26069811 APUWQSUDLLZGBJ-UHFFFAOYSA-N 492.535 0.653 30 20 JCED N#CCCn1cc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 494074733 ZRPFIRRPUMOFOX-UHFFFAOYSA-N 495.496 0.515 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(CC(N)=O)cc3)CC2)cc1 516014526 YWMCTXZDYZIYQE-UHFFFAOYSA-N 455.496 0.058 30 20 JCED CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C2CCN(C)CC2)c1=O 516828483 PJGNFQJVLJXJLH-UHFFFAOYSA-N 470.595 0.841 30 20 JCED CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 608829002 VHWXGCLWLFRKSS-UHFFFAOYSA-N 494.577 0.166 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 609342044 KZXKPOVZDKROFK-UHFFFAOYSA-N 464.592 0.826 30 20 JCED COc1ccc(CCn2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn(C)c3)c2=O)cc1 837427186 NKHKVNXKAJYCDS-UHFFFAOYSA-N 451.552 0.922 30 20 JCED Cn1c(N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C#N)c(=O)n(C)c1=O 917524724 DRVHSEIMRLJKLL-HNNXBMFYSA-N 460.535 0.251 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 919051012 MQTLWYKLPQJSOP-LSDHHAIUSA-N 452.533 0.607 30 20 JCED CCC(=O)N1CCC[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 919453274 BQOMODIVOCNNOR-SFHVURJKSA-N 476.555 0.583 30 20 JCED C[C@H](CC(=O)NCc1cccnc1N1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1142670661 MAELFTDVVVSZMT-MRXNPFEDSA-N 456.572 0.967 30 20 JCED CC(C)c1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cs1 1323721465 GKYPJDGABDYGIA-UHFFFAOYSA-N 473.624 0.776 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)NC2CCCCC2)C1 1505141128 MOMPWBABHFRHSL-UWJYYQICSA-N 497.597 0.892 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC)C1 1507784513 IYEPQQRUGQMIAQ-KBPBESRZSA-N 491.412 0.482 30 20 JCED C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1)S(C)(=O)=O 1508434071 MNUUTOQBZITUGS-CVEARBPZSA-N 460.560 0.933 30 20 JCED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)c(=O)n1C 1510897199 WQFWGKDKIFFEEA-SFHVURJKSA-N 489.602 0.797 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1515992733 XPGMTAHFYFENJQ-JGCGQSQUSA-N 455.588 0.986 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1547764880 KZTQWXXVTIBHNQ-IBGZPJMESA-N 485.614 0.900 30 20 JCED CC[S@@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1552428422 IDSHMIFIOMHEQX-NMEJYPJZSA-N 477.616 0.542 30 20 JCED CS(=O)(=O)N=S1(=O)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1569602625 JRSDRYZLHBJWPG-CYBMUJFWSA-N 458.949 0.834 30 20 JCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 1645173732 RUXZMCGGMUHXMD-UHFFFAOYSA-N 459.576 0.958 30 20 JCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760307813 UUVNSCAXTGPDNS-KGLIPLIRSA-N 453.341 0.965 30 20 JCED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1763040863 ZGBSZUSOJHBMCD-OAHLLOKOSA-N 461.548 0.287 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1779074135 WEHWULBBZUIPJE-DENIHFKCSA-N 461.446 0.636 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779402394 MYHKKOJUEZLURO-FJIYLRAKSA-N 497.545 0.524 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780935211 ODMNJYXAGPUWHX-DEOSSOPVSA-N 464.547 0.773 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1781263863 GWODPUZIRLDXME-OPAMFIHVSA-N 469.535 0.211 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1781271922 SCIMXPUSSBYQIQ-NXMSCROESA-N 495.573 0.696 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1781290687 IWXJSAKAGPVOPO-AOMKIAJQSA-N 452.552 0.764 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CN(CCO)CCO)CCO3)C2)ccc1Br 1781906340 WCZKEEBOOULSAW-NRFANRHFSA-N 495.374 0.051 30 20 JCED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1782202327 NSOHFDJTRZRIEC-WJONJSRFSA-N 452.552 0.845 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782960000 CSZWROUMSTVPTJ-JKSBSHDWSA-N 483.587 0.310 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784396306 FXJJGMKQJHKBOE-VFNWGFHPSA-N 478.575 0.643 30 20 JCED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)S)C[C@@H]32)n(-c2cccc(=O)n2C)n1 1787153649 LGKKHUUPPJXASZ-CVYDXHPNSA-N 459.572 0.791 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787512067 QWUPEWOIEVRWCL-LQXZAOOASA-N 464.613 0.951 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1788573502 ZPNOIRGMHAVSBD-UOVPBQLFSA-N 455.515 0.256 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1788630292 YLWBUMBJZGVMQH-WDSOQIARSA-N 459.503 0.470 30 20 JCED O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1)c1cccs1 1788651273 VNFAOAPCHCRUIR-FAHIZGSNSA-N 463.556 0.117 30 20 JCED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21)c1ccccc1 1788707268 DDGIAWCEHXZHGZ-TUFLPTIASA-N 477.498 0.888 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1789906257 GMXWVCABYQQTOO-QAETUUGQSA-N 467.567 0.494 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]nnc5n4)C[C@@H]32)c(Cl)c1 1790229825 BKZVALWNLTUBJV-JDFRZJQESA-N 482.888 0.245 30 20 JCED CC(C)(C)OC(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC1 1791079611 VBGSDQFSCJODQB-BZSNNMDCSA-N 463.531 0.701 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1792887293 PFWRJAKSOBREHC-FCGDIQPGSA-N 458.515 0.647 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1793600031 PUHUHBVJIUSCJQ-HLPPOEQASA-N 492.495 0.724 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccc(C)n1 1794150868 WJDXKGAHVQZHIE-AJYBTWMASA-N 459.547 0.698 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2I)C3)CC1 1795411118 SWJVHXJYFAXOQP-PEGIJTEDSA-N 455.256 0.521 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)c(O)n1 1796421708 COGVJEIROMWAIH-KAISUZLGSA-N 487.582 0.911 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/C(=O)c2cccs2)CC1 1796446209 LVIHWYNIKXPZHX-FJQDHSIPSA-N 495.623 0.748 30 20 JCED Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)c2ccccc21 1797172997 YQDMQIQFUADOCT-IWYTYRTKSA-N 465.510 0.642 30 20 JCED CCOC(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)CC1 1797818191 KDUHCXFXVGECIV-OXFQKTEUSA-N 480.562 0.974 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C(\C)NC(C)=O 1800174815 HXGHCASBEDECLN-NGUWMKHNSA-N 462.547 0.533 30 20 JCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1800544337 ZWQYECMIWXXQDS-HGKCTWBKSA-N 490.511 0.981 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C(=O)OCc3ccccc3)CC1)C2 1800778254 JIFPJWGPRCGFDX-JHDGKUDLSA-N 483.521 0.713 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800779065 PXGKZBSBRWABCT-FVSFCRNKSA-N 461.515 0.311 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(N)=O)C2)c1ccc(O)cc1 1801056663 NXMLCHZMWOIQSL-IEATVEBOSA-N 456.543 0.926 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCN2CCN(C)CC2)[C@H]1c1cccnc1 1802481243 HRACQBYSILHKQF-BTOOWLAUSA-N 468.602 0.583 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CSc2nc[nH]n2)[C@@H]1c1cccnc1 1802499090 QWJNWLZXGZJIFE-FRWFVBGZSA-N 455.544 0.856 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1803175847 AJRIDSJPFMYICA-GEQKSPFYSA-N 498.561 0.851 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)cc1 1804339829 BECXIOVTJIOPPT-XQBPLPMBSA-N 460.494 0.800 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 1806900155 ZANSLGIATRDZGI-KRWDZBQOSA-N 486.573 0.256 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1807738198 NZOGXJDUQIXGKT-IIMJZQEZSA-N 471.539 0.591 30 20 JCED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812443206 AQHITRXUQMXSMW-LNSZTPPCSA-N 491.639 0.586 30 20 JCED C=C1C[C@@H](C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1813161166 BSUVJRNKCUHVKC-FYQPLNBISA-N 472.590 0.939 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1813174353 IQQGYQLBNLGZCL-FHZNTISVSA-N 452.515 0.484 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)sc2C1 1817244176 WWBFRTKYQLYMSX-IOOHTYEVSA-N 476.584 0.716 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)NC(=O)OC(C)(C)C)sc2C1 1823563281 BIDOTDNUZPRDAO-NRULBQFISA-N 479.559 0.757 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1829263051 GLDPMWBDRBEUJD-QHCPKHFHSA-N 465.466 0.587 30 20 JCED C[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)CCCN1 1829334745 MECYNTKBALPPID-JWQCQUIFSA-N 482.537 0.669 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5c(c4)CCNCC5)C3)C2)cc1 1829906411 ZTWXLYMWVLXZTI-MHZLTWQESA-N 489.576 0.954 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1830214885 WNMPPRDXFUWANU-GBXCKJPGSA-N 474.558 0.467 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)cc1 1830216233 APUXNULZUYKSFU-KPDCDPCYSA-N 463.531 0.986 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831337520 FDAGJMMUFHJMSU-XJDXJNMNSA-N 470.569 0.378 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OCC)cc3)C2)C1 1831398474 COXKOMFTWHACFM-MHECFPHRSA-N 458.511 0.972 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1831435220 NEYXUKYEHIPKJA-WZONZLPQSA-N 455.515 0.928 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833025667 FBRDVCXWGKCOPT-SKDDIYDISA-N 490.557 0.022 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833208337 OMCFMCGGXGFALI-QOOAHNBZSA-N 450.927 0.672 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1833599593 ODQZMEMMENBZBR-JOCHJYFZSA-N 463.556 0.749 30 20 JCED CC(C)(C)OC(=O)NC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833619005 UYPMMQLCHZGMCL-UHFFFAOYSA-N 464.563 0.949 30 20 JCED NC(=O)CC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1834673216 GPDSBCMYQSMLDH-JXTAAOLFSA-N 475.615 0.651 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 1835453698 IGULOJPMGDFTOA-LJQANCHMSA-N 450.580 0.973 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1835728541 YFVSJKUPVICFEC-UHFFFAOYSA-N 494.753 0.896 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)cc1C#N 1835752472 QWEGGWCKTHOJSW-CYFREDJKSA-N 487.557 0.008 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5nc(Br)nn5c4)CCO3)C2)CC1 1836255426 BPMROCOBPDGUSI-FQEVSTJZSA-N 489.330 0.866 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1836859036 KUDSNCSRXARRQU-IBGZPJMESA-N 462.591 0.187 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C2)C1 1837396763 JKTKEJCSTHZLEL-YKSBVNFPSA-N 494.610 0.798 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837400597 IINFHHAVDOGUOE-MBSDFSHPSA-N 457.531 0.301 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1837428776 DOZFGZXKTQWXII-FQEVSTJZSA-N 458.653 0.539 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(F)(F)F 1837440799 YPYNIDUHQKMHCX-ZUPBKEDZSA-N 450.458 0.228 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837443286 CDFMNWHGDBYBBD-YGPNGPECSA-N 455.519 0.271 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837525601 XPDXETAREQUNDY-KRMBDEGVSA-N 467.910 0.729 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)N3CSCSC3)CCO2)C1 1837569121 GVAKSIWBBFOOOC-SQGPQFPESA-N 457.618 0.524 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CCO2)C1 1838585211 CQZRGJCHLVXYCP-SRGWNRLKSA-N 471.510 0.514 30 20 JCED COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838599572 LYYUBUIHJOLXLI-HXUWFJFHSA-N 450.879 0.638 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)nn1C(F)F)CCO2 1838710304 VHUROENYVQAYGK-OLEQZPESSA-N 467.473 0.515 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)nn1 1838830154 LNLNJJUXMLMOLP-DEOSSOPVSA-N 450.495 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)CCO2 1839075222 XRDQJCVWTDKEQE-FTVUIBSFSA-N 494.589 0.557 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1839175738 BRFHEUYFSNDRGC-RUZDIDTESA-N 487.553 0.691 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839380910 VCCWJHNTYWQJNI-BUUPASLGSA-N 498.540 0.866 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CN(CC)CC)CCO2 1839679279 XPJSMSNTUNQKPC-XXBNENTESA-N 453.580 0.930 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839684894 XRTBOQKHPXHUEC-HGYWDVMBSA-N 471.507 0.533 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840016731 VMTZNEPDBJLKCR-YHPCMVROSA-N 469.538 0.944 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)[C@H]2OCC[C@H]21 1840038516 WOZFZNLMMQWHOF-UVELEOGVSA-N 478.546 0.381 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1840218607 JUKRROBGIWHATJ-PKTZIBPZSA-N 478.546 0.118 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840795352 DGSFNSAYJURALW-WVMBUTMQSA-N 496.605 0.827 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)cc2C1 1840815339 KCKXKOYJIQGRIH-HSZRJFAPSA-N 456.547 0.482 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840819837 INWZIQNPXHTNSH-HSZRJFAPSA-N 452.467 0.341 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCNC(=O)OC(C)(C)C)CCO2)C1 1840905407 HSMJGHCIOVSLEQ-FDDCHVKYSA-N 467.563 0.786 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2)C1 1842737576 GPMFMHMFQPNQBQ-HOTGVXAUSA-N 493.561 0.274 30 20 JCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)cc1 1844929683 RSHXBVJGESKILF-ZWKOTPCHSA-N 467.551 0.555 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 30917454 PJZMIXGBYCTLOB-UHFFFAOYSA-N 481.556 0.317 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)OCCO4)c(=O)n2C2CC2)CC1 514326347 DVQLLVNYQVTPHE-UHFFFAOYSA-N 466.563 0.683 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C1CCN(C)CC1 517984267 YUEXQTWFTRMBBT-UHFFFAOYSA-N 462.522 0.720 30 20 JCED N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O 589159316 NPOPXEMCFJUACB-UHFFFAOYSA-N 451.435 0.649 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(C(N)=O)cc1 608828851 NLVYPJBDBBXHQQ-UHFFFAOYSA-N 474.498 0.508 30 20 JCED CN(CC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)S(=O)(=O)c1ccc(C#N)cc1 609008477 GOBUNXOGHBGTNQ-UHFFFAOYSA-N 458.544 0.581 30 20 JCED CCS(=O)(=O)N(C)CCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\CCc1ccccn1 726115776 SBBHJAIEZMEKOX-BWORXHKJSA-N 455.606 0.732 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1ccccn1 726181999 ICGOKRNBDJOGNE-UHFFFAOYSA-N 480.594 0.554 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccnc(C)n2)C1=O 726404460 YIHGMSXGYDKFIW-CULCSUMMSA-N 462.557 0.569 30 20 JCED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)C1=O 727012060 FDXCEGDTHVJCRG-HSZRJFAPSA-N 463.450 0.720 30 20 JCED COC(=O)CCn1nc(C)c(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1C 727059680 ULYOPXRECCWQJD-UHFFFAOYSA-N 463.564 0.840 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)cc1 727231393 KPOBGGHWNULXTK-CDTGLVORSA-N 463.560 0.942 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc3ccccc23)c1=O 916198748 VGEIUNQJCGQCIH-UHFFFAOYSA-N 492.601 0.661 30 20 JCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)cc1OC 916200091 TYBFGTBBPWXKCG-UHFFFAOYSA-N 473.551 0.325 30 20 JCED CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918279140 OCFQFNKMFXRXAV-PJWCADQQSA-N 453.565 0.257 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 1127222396 ORZHFDQAQPZFQU-INIZCTEOSA-N 455.544 0.881 30 20 JCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 1185396386 JFYRNQVHSJIIPH-GFCCVEGCSA-N 450.336 0.245 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1299076631 WOSFVUIZHQEPRR-CQSZACIVSA-N 452.533 0.867 30 20 JCED COCCN1C[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1301855961 JACJCGHMBYGTHA-JKSUJKDBSA-N 454.491 0.149 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(S(C)(=O)=O)CC1 1541674175 RGLRWZSNMYGSEV-UHFFFAOYSA-N 472.575 0.587 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCCCC1 1541942439 DMJWOYQFOKIJHF-HKUYNNGSSA-N 464.640 0.941 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1620169352 NZRHUCAQCLRHNP-DLBZAZTESA-N 470.621 0.734 30 20 JCED C[C@@H]1CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1743341064 OQUQLPYOJMBCIL-GGPKGHCWSA-N 495.650 0.850 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1747607500 OFSPYNDGAJPGMT-QZTJIDSGSA-N 473.559 0.570 30 20 JCED CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1767674880 SUHHZWNYQIMHOW-SFHVURJKSA-N 467.530 0.550 30 20 JCED CS(=O)(=O)CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1770325539 NOHBTNFXJSGNOA-INIZCTEOSA-N 486.620 0.176 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1778087642 PDVMYUATZWRMGK-HYFFOGBASA-N 450.536 0.738 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(N4CCOCC4)n3)CCO2)C1 1778972023 SBOLESVJLTXRBJ-YADARESESA-N 458.559 0.935 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1779069430 RKUUCZRSZLXSEA-NFBKMPQASA-N 457.483 0.425 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779207180 JNUXKRCCZNNNOF-YQTDCCHMSA-N 457.531 0.564 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779553336 DXIKBPULNCVASZ-GEKCXGJESA-N 468.551 0.180 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1781340454 JQSLSIFUPALNKO-AOMKIAJQSA-N 450.536 0.786 30 20 JCED COC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(OC)cc1C#N)C2 1782396952 OCGMSEKSJYKPRG-AUSIDOKSSA-N 458.515 0.979 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782800676 JCZMQMNWHVPUMK-JWQCQUIFSA-N 485.537 0.170 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3c(Br)cc(F)cn3n1)CCO2 1783565682 QDZCJGCHMMGXGS-SFHVURJKSA-N 480.250 0.162 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566688 YKKZKNQLMYAAEJ-RPBOFIJWSA-N 485.537 0.170 30 20 JCED CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1783673852 SNZTVBOFYOMPOA-FDDCHVKYSA-N 479.578 0.930 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)N2CCOCC2)CCO3)cc1C#N 1785196747 NZFAXCQIWCCCFA-LADGPHEKSA-N 472.542 0.440 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1788573748 JPYWDHGNXBAUEN-MJUPKGCFSA-N 495.617 0.767 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1788594382 SCQBWRXFZKGACA-VJANTYMQSA-N 450.656 0.610 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c4c(nn3C)CN(C(=O)OC(C)(C)C)C4)C[C@@H]21 1790793939 NXDGXRQJEVPHFN-MPGHIAIKSA-N 457.531 0.897 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)[C@H](O)C1 1791076567 KFXKEAPKOFPPBT-MNAFTKGFSA-N 493.557 0.062 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1791258400 NLIXACJKBJCXQM-SOMFZHDCSA-N 471.620 0.902 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791689281 BCZFCYCOZAPYOO-HSHCXIQHSA-N 489.577 0.683 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(=O)O)ncn2)c(C(F)(F)F)n1 1794367809 QKCPKHANXXSQGI-CULMDFNYSA-N 490.398 0.977 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncn1-c1ccncc1 1794464526 KDCSBUXHQPWBRJ-XEMDLRDOSA-N 451.531 0.752 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC[C@H](N)C(N)=O)N(C(=O)OC(C)(C)C)C1 1796084397 QSEDBIUVQLACQN-ADHGMGHFSA-N 463.579 0.783 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1Cc2ccccc2C1=O 1797184255 UACBVSWEGRZWCE-HATOLVCRSA-N 467.570 0.904 30 20 JCED CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)C(C)(C)C 1797809788 GHPMCMOOBANJRO-GZGBWJRFSA-N 452.552 0.656 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)nc1 1797836234 BDAYOYNBMNMLQV-GBFHVWRSSA-N 460.512 0.400 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)Cc4ccccc4C2=O)C3)c1 1798691517 UEAJXLKQSJVUMX-FEJSZKPUSA-N 475.505 0.705 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1799335683 MZEOEWFSDFLUEF-URZNZNTCSA-N 497.556 0.695 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(I)c1 1799471735 HAUIVGUKQZFJNU-FVCICTRLSA-N 468.247 0.582 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799748826 AUVCIBDIRCLJQY-QOIYZWAUSA-N 462.478 0.744 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])c(O)cc1C 1799829223 VAQONIKFXHMOKD-XKQRQZJESA-N 458.471 0.670 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12)[C@H]1SC(=N)NC1=O 1799882537 UTHOOCCZVQJMKT-YBDPJIJVSA-N 481.538 0.440 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@H](C)NC(=O)c2cnccn2)[C@@H]1c1cccnc1 1802482131 KNMUCRMCZRWCOB-RVRWZBRYSA-N 491.552 0.554 30 20 JCED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 1806901481 OGONIEVPUKCISV-UHFFFAOYSA-N 492.527 0.876 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1811944482 NOLIDWXORAQKAJ-URXFXBBRSA-N 465.554 0.868 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1812712942 SNVFVUVJRUXNMG-ZEQKJWHPSA-N 479.581 0.878 30 20 JCED Nc1n[nH]c(CCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=N/O[C@H]2CCCCO2)CC3)n1 1819556953 ZJLGTHRSCGRWGN-DSBRPMNQSA-N 462.536 0.917 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](COC(C)=O)OC(C)=O)sc2C1 1819852015 RWWPTIMROQADBX-DIOULYMOSA-N 451.501 0.588 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990869 XRDVBNRYFJFFIH-PRCFCKQXSA-N 491.614 0.350 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CSCC(=O)OC)C2)C1 1829260230 JJWOLDPCKMUTNA-HSZRJFAPSA-N 473.551 0.978 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cc3F)C2)C1 1829771269 OVVNLXWYUUKFCV-UZQCKINESA-N 463.481 0.822 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830053604 ZPGRPWFHRKHXJB-HXOBKFHXSA-N 480.562 0.628 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2)c1ccc(O)cc1 1831022851 CXJSMVVCZWDADY-CPJSRVTESA-N 485.537 0.798 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2)C1 1831136556 KBBYXVMKMOCJKM-CYFREDJKSA-N 499.605 0.965 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1831337352 VFANODTYNFDEBN-OAQYLSRUSA-N 472.680 0.929 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])C2)C1 1831397221 PSBOWPJXGBFSNC-SBUREZEXSA-N 474.514 0.769 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831478616 DFCXONVTSWPDPS-HOYKHHGWSA-N 494.589 0.274 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1831998991 VYTLJIFEJFEKAG-UZUQRXQVSA-N 477.562 0.960 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832676036 GNSSAVCNUYLCOP-XMMPIXPASA-N 457.527 0.615 30 20 JCED Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)s1 1833021597 UPQREPFBUITIRU-FFCJBUTOSA-N 461.544 0.948 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1cccs1 1833031798 QWCFDDWMNZAIIQ-XMMPIXPASA-N 489.594 0.633 30 20 JCED CN(CC(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccc(Cl)cc3)CC2)CC1)C(=O)C(=O)O 1833241644 AWDDOGMDZOATJH-UHFFFAOYSA-N 488.972 0.806 30 20 JCED CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833454093 PLKRYJAWOISQPY-ODAUKNCYSA-N 472.608 0.522 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1833597251 XXJJQDSWXGYMOP-JOCHJYFZSA-N 481.571 0.538 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3C)CC2)CC1 1834083191 LZSILZHECPALSB-FPLPWBNLSA-N 455.559 0.429 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CCSC(=N)N)CC2)CC1 1834707964 CSBFARBAAYZMAN-UHFFFAOYSA-N 451.641 0.857 30 20 JCED COc1cc(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)nn1C 1834716725 RJDBXPWNOVOPKQ-UHFFFAOYSA-N 459.595 0.896 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835133293 YLGZWDVXABMSTP-HSZRJFAPSA-N 451.564 0.828 30 20 JCED CCn1c(-n2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cc2C)cccc1=O 1835342570 WAEWPZOPICYGHS-VWLOTQADSA-N 494.552 0.736 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1)c1ccccc1 1835395566 FELZZPQALBSTHY-BVAGGSTKSA-N 469.582 0.972 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(C)(C)C)n3)C2)C1 1835673053 SZODDWOMLPJGNQ-HSZRJFAPSA-N 460.579 0.990 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1 1835769035 LXZZSPUWOJMECI-PCCDRTMGSA-N 479.578 0.929 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836888647 DWIZRLGBDPQIBU-XMMPIXPASA-N 467.526 0.498 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3ccc(C(F)(F)F)cn13)CCO2 1836965186 JJMLMMAHUZIOEL-HXUWFJFHSA-N 480.399 0.511 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)C1=O 1837138081 OAEAVGCGMLHEHV-AREMUKBSSA-N 495.532 0.590 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3ccc(Br)cn13)CCO2 1837184782 YVNUDOYTEGCGOD-HXUWFJFHSA-N 491.298 0.255 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837293278 UIIJPKMBBNVZOL-ZJSXRUAMSA-N 485.541 0.459 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)N1C[C@@H]2C[C@H]2C1 1837294582 JKOJWTAJQWMRBL-QNGCPFJASA-N 468.554 0.734 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837394640 FXPJIWBVARUUQD-HRAATJIYSA-N 452.483 0.426 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1837397257 NYPJVUAQSLUJRZ-YTZAWJCFSA-N 498.621 0.258 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1837405087 GNHYUXXDNXLCLQ-IBVKSMDESA-N 497.548 0.759 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837428957 OBTKHTDZPHVAGZ-XMSQKQJNSA-N 466.655 0.941 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1837429332 SRBBPWVBRWUXPZ-PGRDOPGGSA-N 466.655 0.087 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1837525327 MCTJVUDUOXAQJG-RTAJLIBNSA-N 466.447 0.787 30 20 JCED Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837533309 OFSCINHVTXCHAN-AYXIDTDKSA-N 463.535 0.738 30 20 JCED N[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1cccnc1 1837562344 JXPZAJJQXJJQJR-TXHAEYASSA-N 455.515 0.640 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837608461 FMGCISISRBLQMT-BXKMTCNYSA-N 478.509 0.237 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)cc1 1838952579 CJDUOXBQJVBYQV-JOCHJYFZSA-N 453.455 0.203 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839080996 RYTRWMPTVJNKDM-ROKPMTFOSA-N 463.575 0.827 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1839175942 MNFOQOFNWSBXPN-HSZRJFAPSA-N 462.547 0.856 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2ccc(F)c(C#N)c2)CCO3)CC1 1839186537 ZUEZDSAQVQAIKO-RUZDIDTESA-N 487.576 0.334 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)cc(C(F)(F)F)c1 1839442974 JWTFDIYVSACHOD-DYESRHJHSA-N 480.443 0.926 30 20 JCED CCOc1ncc(Cl)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042176 FWPMBSAVHZSBHO-HXUWFJFHSA-N 451.863 0.292 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1)c1ccc(O)cc1 1840222431 OSZAKCCFQJCYBM-FPGHNAPASA-N 457.527 0.480 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1 1840713784 IYBRFMDUMDOBJS-NPMXOYFQSA-N 467.482 0.899 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1840820130 AKHLPRCIRZNCKA-XMMPIXPASA-N 481.509 0.686 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C)C2)C1 1840909096 MPBIWXTYSBHUDP-UUOWRZLLSA-N 487.557 0.772 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840909599 XGBGCJBZJUGGKV-CYFREDJKSA-N 488.541 0.307 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846196948 GEJFJTMVVRQQBL-BXWFABGCSA-N 461.515 0.550 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C 1847261750 KVTOTLHNVIEDFZ-FLWCONRGSA-N 460.531 0.973 30 20 JCED C=CCN1C(=O)C(=O)N(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1=O 498027979 QULARFFPLFTKQX-UHFFFAOYSA-N 461.500 0.554 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 511514752 MVTKSDUKTQCEJL-UHFFFAOYSA-N 464.482 0.072 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 514468578 YVHGWEMOGUVNIR-HXUWFJFHSA-N 489.598 0.104 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc4c3OCO4)c2=O)CC1 516375815 NZGIKACISYLFPK-UHFFFAOYSA-N 482.562 0.267 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 523254590 JFOBGGBAYPPBLT-UHFFFAOYSA-N 487.585 0.665 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCNS(C)(=O)=O 589160128 BXJLKKZBOMQTCY-CYBMUJFWSA-N 451.545 0.716 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 725763839 VWTBJHYLCOLGSN-UHFFFAOYSA-N 491.573 0.765 30 20 JCED NC(=O)COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 745989715 XXBCRRCMTFYCHX-UHFFFAOYSA-N 463.472 0.926 30 20 JCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)cc1 784873288 HYJYROMSTKXRME-FQEVSTJZSA-N 457.468 0.344 30 20 JCED Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1 821692683 SDGPGMIQPFOXEI-UHFFFAOYSA-N 472.523 0.948 30 20 JCED CCN(CC)S(=O)(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 823984171 DKIYQPLAPVAGOZ-UHFFFAOYSA-N 497.643 0.690 30 20 JCED Cc1ccc(C)c(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 915376210 JJHDHPCMQOPMIN-UHFFFAOYSA-N 475.527 0.642 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3Cl)c(=O)n2CCOC)CC1 916199933 OLXWMFOTRCNLBO-UHFFFAOYSA-N 460.987 0.877 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)sc(=Cc2ccccn2)c1=O 916664636 OOCBGKNEBYTTBN-UHFFFAOYSA-N 475.574 0.803 30 20 JCED N#CCCN1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 1214206099 YHUCQCHDWLSJFH-MRXNPFEDSA-N 455.562 0.215 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1288705142 JTDDEGNQHFJRLL-DLBZAZTESA-N 453.613 0.987 30 20 JCED C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1288933008 LGRYOKCUYBDDLX-VHFSOBRXSA-N 465.507 0.836 30 20 JCED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1303001933 OGETWYQFSSNWFJ-AWEZNQCLSA-N 477.451 0.780 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)NCC(F)F)CCOC1 1314134951 QBZIKAUBXRHZRO-QFIPXVFZSA-N 490.515 0.905 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1510199996 RAVPHNIFAOVYBU-MPGHIAIKSA-N 458.610 0.843 30 20 JCED N#Cc1ccc(C[C@H](C#N)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 1525396585 VMALIKYNHSXYSC-HXUWFJFHSA-N 452.540 0.904 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC(=O)N3CCOCC3)CC2)c1C#N 1543002034 KUWCDNPGEBQJKC-UHFFFAOYSA-N 455.567 0.576 30 20 JCED CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1618994372 HBDPHTOOCBVQPA-OTWHNJEPSA-N 481.623 0.459 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC)C(=O)C1 1690229395 VIUWFHGYFQEPRZ-AWEZNQCLSA-N 491.412 0.578 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CCNS(C)(=O)=O)n1 1693431159 RCLMNMAHAWLMSX-UHFFFAOYSA-N 497.629 0.883 30 20 JCED CCCNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1728196205 VDJSAULMMYMUAW-JXFKEZNVSA-N 467.596 0.657 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCSC(F)(F)F)C1 1731015371 RKLDLHOQKVZAKV-VXGBXAGGSA-N 470.499 0.593 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(CO)c1 1741939734 CFCXQRCWJNHBFA-KXBFYZLASA-N 459.576 0.605 30 20 JCED CN(C)C(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747533912 JAHDTBXQECJVRY-UHFFFAOYSA-N 451.535 0.586 30 20 JCED Cn1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)n1 1748025940 ZINYEKUKKQOUGA-SFHVURJKSA-N 462.580 0.717 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN2CCCO)CC1 1751278743 LKBUVYFVOZUSFB-OALUTQOASA-N 495.650 0.588 30 20 JCED Nc1n[nH]c(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n1 1779245367 YWXFMWDLECVLKD-GFAIWCKESA-N 463.539 0.362 30 20 JCED CN(C)C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781169886 CHFFXWAJQXHITD-QHCPKHFHSA-N 477.562 0.445 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)SCC(=O)N3)C2 1782010029 HIDVCULDIXEDEH-VGOFRKELSA-N 457.508 0.946 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)C[C@H]1CO2 1782013918 ZRMZRIQUTNWNMS-GVAOLFSASA-N 491.541 0.367 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783769221 YXKIVBLZZBHERY-CMJOXMDJSA-N 488.545 0.488 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783781579 KJBJOXNXTDOMSO-VKIFBMEASA-N 486.635 0.943 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c(O)n1 1783924207 SWSDEYFWGCCCTR-GOTSBHOMSA-N 461.515 0.965 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2)NC(=O)OC(C)(C)C 1785308298 YOBSWHNGIROBMF-DRMXPCRNSA-N 496.605 0.326 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C[C@@H]21 1786858425 OZRCXOCOVRXXFX-ZWOKBUDYSA-N 468.558 0.930 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)n4)[C@H]3C2)ccc1F 1787440459 ZPLVPBLCJSYTSF-YEWWUXTCSA-N 455.446 0.735 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cnn2cccnc12 1788292053 JEKAHKMRTDJRJG-SPJQJTBRSA-N 456.503 0.852 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)n1ccccc1=O 1788746068 KOPRBSVZMSGDQJ-JXYQSDAOSA-N 460.531 0.918 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(F)cn4n3)C[C@@H]21 1789891973 DCFVYLWMXJNDHO-XIRDDKMYSA-N 459.478 0.971 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C)NC(=O)OC(C)(C)C 1792632512 NSULUODZDLBMHM-CLWJZODNSA-N 481.594 0.707 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)C#N)=NO2)C1 1792636048 DAGBOMMIGWYBNC-SCAQPMJSSA-N 475.546 0.892 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1793088491 BPGHJMSYOUSQJK-XEMDLRDOSA-N 468.551 0.438 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2 1793599566 ZQYPYDDOIFWTBA-KPEUIFRASA-N 464.519 0.840 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 1793875338 RKVUXEOXKRSSOE-JLKQPTMGSA-N 488.585 0.904 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1795598357 NTYSOPPMWPRERZ-JLVBRIDZSA-N 492.540 0.056 30 20 JCED CS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795995086 RHUYRIUYKGTTGI-QHBPRCKVSA-N 460.434 0.220 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797683793 IOHVUOWDNFXWMO-RCJHGTSTSA-N 475.546 0.149 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1797713981 FEYKXNXVJLCFAR-UWVPOSKDSA-N 481.590 0.377 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)C3)c1 1798576551 HSDUGHUNOISRFZ-RDFGFHAFSA-N 471.539 0.573 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC=O 1799295632 XCGANXUZLBIWEO-BAGFOUIPSA-N 450.536 0.180 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cnc2c(c1)CCNCC2 1800243196 QFLSRBVNPGYXQN-NZNTWAKTSA-N 471.558 0.502 30 20 JCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOCCOC)C2 1800545581 CQDOJRKITWXJJS-OPVJXMOQSA-N 478.533 0.874 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1801286628 KDKGMGGPSJCQDY-NNTZPNAXSA-N 482.516 0.300 30 20 JCED CCc1[nH]nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)c1I 1801988430 CAHVZGXZGJMZKG-JGPRNRPPSA-N 470.267 0.917 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1807147268 INXWIRJXIPGNFG-APWZRJJASA-N 453.551 0.702 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2c2cccnc2)c1 1807358194 YJEREWPJKLWOMD-HNAYVOBHSA-N 457.454 0.646 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C2(N3CCN(C)CC3)CC2)[C@H]1c1cccnc1 1807927781 SGMZDKFYUBCBJS-OANJVXEKSA-N 480.613 0.726 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCN2CCOC2=O)[C@@H]1c1cccnc1 1809526685 RQTXXBWOOZTSPW-WTVRISBWSA-N 455.515 0.788 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1810389906 HXZWZCCAHROHJS-UAABMBIOSA-N 475.469 0.239 30 20 JCED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)cc1 1811354539 JUEMWDCLILWFQR-RXVVDRJESA-N 483.492 0.907 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)NC(=O)OCC)CC2 1822928050 PUOAGLLNQJYCCX-DIFFPNOSSA-N 454.505 0.629 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)c1 1825327486 JOVFIXZKGWFAKU-INIZCTEOSA-N 473.555 0.536 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1828810593 OGWJXYMLDPASAK-CYFREDJKSA-N 467.526 0.878 30 20 JCED O=C([C@H](O)N1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828976306 UHPXXZMFXMUNRE-AJTFHSEHSA-N 466.579 0.786 30 20 JCED CN[C@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1)C(=O)O 1828990939 ZZQMCCOIQICOMN-RLWLMLJZSA-N 496.564 0.915 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332744 XHBXARLUOQFGSN-BVZFJXPGSA-N 496.520 0.217 30 20 JCED CN[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)S)CCN2C(=O)OCc1ccccc1)C(=O)O 1829346289 RAIUMJFYTUCGPE-XAEMIUIASA-N 492.598 0.820 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)CCC1 1829453598 UZUUKISLHYOXBP-XMMPIXPASA-N 482.541 0.801 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCOCCOCCOCCOC)C3)C2)C1 1829670580 DLWDGQWYGRPTFP-XMMPIXPASA-N 484.590 0.495 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1829766423 YHWAESZGKZQPBQ-IYZQMXKPSA-N 453.499 0.491 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2ccc(C#N)cc2)CCO3)no1 1829903850 FBSHVYLQVFKMBK-DEOSSOPVSA-N 481.509 0.284 30 20 JCED O=C(NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)c1cccnc1 1830465989 YWSXHKYUBMQZTR-RUZDIDTESA-N 496.951 0.973 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1831399225 RYHNAHRVZUYUIY-NYHFZMIOSA-N 471.470 0.579 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)c(O)n1 1831454374 OIALLOJBEHIPEV-SBUREZEXSA-N 495.598 0.657 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1831486730 FXINKHFJPRTUNI-CKJXQJPGSA-N 475.608 0.283 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCSC(=N)N)CC2)CC1 1833075946 IHGSMQLAPVSRIK-ARJAWSKDSA-N 450.609 0.433 30 20 JCED Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1833231271 TZBBKQWCJYUSBX-LJQANCHMSA-N 479.419 0.484 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2)c1ccc(O)cc1 1833885847 XVHNGALLGMSGKN-NTKDMRAZSA-N 467.526 0.788 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834589590 JHTOSAGORNUAGA-UXHICEINSA-N 489.617 0.753 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715518 MVJQWBIPXLEJQU-KRWDZBQOSA-N 484.667 0.168 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1834741777 DFGAYEHZZWWNJW-GOSISDBHSA-N 452.552 0.130 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCO2)NC(=O)OC(C)(C)C 1835536070 KHWDPBXBILJFFY-STSQHVNTSA-N 468.595 0.897 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835629856 KZXXJQURIIEKQK-MWTRTKDXSA-N 491.545 0.552 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1835768350 AHGAWHKJIIYAQT-JMJNUIHMSA-N 491.511 0.766 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)C[C@@H](N)c5cccnc5)CCO4)C3)c2c1 1835834622 OYMZBXYCGNWMDG-NLFFAJNJSA-N 489.536 0.990 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1836139514 NOLBJLMQPYHJAJ-MBSDFSHPSA-N 490.561 0.300 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836257826 NZHAFTRUJWBIOK-OPAMFIHVSA-N 478.571 0.677 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836767632 NLKZQRROILBXAO-DEOSSOPVSA-N 464.607 0.599 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1837116064 RGEOQZREABTUTR-DLBZAZTESA-N 450.536 0.156 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c(C#N)c1 1837254457 COWIFLLGJZDAMX-CVUHLLMESA-N 482.537 0.401 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1837314121 IRDGQOAPMYWIEJ-JPYJTQIMSA-N 460.531 0.482 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C#CC1(O)CCCCC1)CCO2 1837490859 SDGKZCOMNJQZGL-AREMUKBSSA-N 472.582 0.840 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1837525624 XWIORBFGYORIBA-ARTMYSNSSA-N 453.536 0.931 30 20 JCED O=C(/C=C/c1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837533345 QLCOROVNOMIXJO-XNFUEYNNSA-N 459.503 0.475 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1837565225 OIFGNJKYOQRVKE-QBXUWSICSA-N 481.553 0.552 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)c1 1838906619 VCUBAKWZNXDXHT-HSZRJFAPSA-N 484.534 0.741 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(C)C)C(C)C)C2)C1 1839174521 HMBSSKNNWBXTFE-NZQKXSOJSA-N 453.580 0.975 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1 1839185074 MEQFBEPJMBFUAS-VGSWGCGISA-N 453.536 0.891 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1839228302 YQSZBCMDSGZKDQ-KKSFZXQISA-N 456.540 0.768 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)c1 1839451059 WUMOCAXWCZQKHM-HSZRJFAPSA-N 458.584 0.986 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CN5CCCCC5)C4)C3)c2c1 1839488132 ZLVBZEKCAUDOOO-DEOSSOPVSA-N 466.542 0.990 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2)c1ccc(O)cc1 1839881294 RXIVLNPSHNRTIT-QLWBXOBMSA-N 471.554 0.870 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839959156 AVYDMRALJHPSOI-MXDUJFBHSA-N 458.559 0.518 30 20 JCED COCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110996 QAEGADWXYURFBS-IIBYNOLFSA-N 475.608 0.691 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)c(O)n1 1840177547 CPOQWIZOGJQTHL-BJKOFHAPSA-N 491.541 0.592 30 20 JCED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840199509 CHCXZXQHCHNNGZ-SIKLNZKXSA-N 465.547 0.810 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1840817463 BGQIAIRZUKOAQO-RBWLTTHTSA-N 493.605 0.783 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1840841914 BRAQTVDEMYGUOP-VGSWGCGISA-N 453.536 0.396 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCOC2)CCO3)c(C#N)c1 1840877048 MINAVLGAOQKMOP-DVECYGJZSA-N 457.527 0.992 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCNC(=O)OC(C)(C)C)CCO2)C1 1840905410 HSMJGHCIOVSLEQ-WZONZLPQSA-N 467.563 0.786 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1842919663 XTDHTMRECQENHE-UHFFFAOYSA-N 467.574 0.507 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-n2c(O)nnc2O)cc1 1847263742 NGEDDPJDCIHEMV-IIAQQRLMSA-N 452.471 0.352 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CC2)cc1 31220927 MYSWKRJIRLLMCS-GOSISDBHSA-N 453.524 0.835 30 20 JCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CC2)c1=O 507083921 BEGLNUJKULDDEA-UHFFFAOYSA-N 456.543 0.644 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OC(F)F)c1=O 523476766 JSFKXFZVSJRGPM-UHFFFAOYSA-N 479.505 0.910 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4cccc(C(=O)O)c4)C3=O)CC2)cc1 589797398 PQZGPJUSTYNGEO-IBGZPJMESA-N 468.491 0.895 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3)c2=O)o1 603787214 JIYCBBJBUCGEDO-UHFFFAOYSA-N 464.547 0.752 30 20 JCED CC(C)(C)NS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 603824156 WEPVMIQLDKMEIP-UHFFFAOYSA-N 457.578 0.292 30 20 JCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 604043155 SEJAEYYSFMQHTD-HNNXBMFYSA-N 464.587 0.071 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 604119729 KSAULVJWWCAAOO-ZDUSSCGKSA-N 461.565 0.302 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(=O)N(C)C 604270532 WWGGOUZGAMRMEU-UHFFFAOYSA-N 497.404 0.961 30 20 JCED CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 609091339 DPAFHQZJGYBAGR-UHFFFAOYSA-N 450.542 0.776 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(C(N)=O)cc1 726575581 KPTINPXPBHZMMI-UHFFFAOYSA-N 499.556 0.608 30 20 JCED Cc1nc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cn1C 726770659 YSLLUNRSNCNQSP-HAVVHWLPSA-N 482.588 0.848 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCOC)c2=O)s1 731203760 VINSHLPCLAMRAE-UHFFFAOYSA-N 460.625 0.847 30 20 JCED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1COc2ccccc2O1 831244149 YSXONGTXDNKLIT-UONOGXRCSA-N 459.480 0.613 30 20 JCED C/N=C(/NCCN1CCOCC1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 849064449 APTAMJONVDKRCO-UHFFFAOYSA-N 456.570 0.940 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(N4CCOC4=O)c3)CC2)cc1 918310646 NHEHOJQJKAORAW-UHFFFAOYSA-N 483.506 0.986 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)C[C@@H](C)O1 918436008 QGXDPMSRJMQUIZ-HZPDHXFCSA-N 465.532 0.026 30 20 JCED CCN(C[C@H](C)C#N)C(=O)COC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 920613228 DSLSADIKNNYNCJ-GOSISDBHSA-N 450.561 0.998 30 20 JCED Cn1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)n1 1298842862 PFHJZCOXJZSUSO-UHFFFAOYSA-N 456.532 0.592 30 20 JCED CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1299003667 WWIYUILUDPYWBF-SJLPKXTDSA-N 489.602 0.829 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1360672150 MTOOQLDJAWFJSE-SZMVWBNQSA-N 493.613 0.974 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1360682176 XMJPJJSSDQBNBZ-ACJLOTCBSA-N 470.552 0.782 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(CO)c2)C1 1555813936 VNBCUEBYYMWVBN-FXAWDEMLSA-N 464.523 0.594 30 20 JCED C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCCn3cnc(C#N)n3)cc2)C1 1561547684 QDJOOPPZUBCMDP-GJZGRUSLSA-N 452.562 0.795 30 20 JCED CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C1 1618636432 NQAHJELAJJEHKT-NRFANRHFSA-N 464.574 0.943 30 20 JCED CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1706658799 WULDXEFTHFZRCI-IBGZPJMESA-N 489.602 0.577 30 20 JCED COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1711885109 KSYBJMSMPKSXOK-SFHVURJKSA-N 462.532 0.630 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1729342722 SOLCSADDHHOWLM-QGZVFWFLSA-N 456.532 0.706 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCC(=O)N(C)C 1743234430 KKMPBWLHNHWTNW-CVEARBPZSA-N 466.550 0.474 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1778082887 ZDWUNYWHRWONFV-FVJVTNMWSA-N 479.574 0.473 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066700 GEWQHZLZQSQCNV-RUZDIDTESA-N 496.601 0.211 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779107064 RONRFAFSNOCLJF-VSDLEHRUSA-N 454.524 0.870 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)nc1 1779134917 QTWUEMZJISEBHG-FFCJBUTOSA-N 460.512 0.641 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1779337044 CBDJRQRMTOVJHC-DBYOASNMSA-N 475.590 0.544 30 20 JCED C[C@@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779500026 VUAKLDYSMKMLCN-GTOZPANGSA-N 462.551 0.957 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1780331427 USWWQVYCOBVREX-FDDCHVKYSA-N 473.530 0.966 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1781168271 NNMIWDHYWUXEIN-WZONZLPQSA-N 474.562 0.805 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781561359 ACVGGFNXAFKILA-WZONZLPQSA-N 490.513 0.780 30 20 JCED O=C(CN(CCO)CCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccc(Cl)cc1)C2 1781835681 HTLQETBOJMNHEF-ZJSXRUAMSA-N 477.989 0.492 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3OCCO4)C[C@@H]21 1783530865 OOQFFMZVXOEHOO-ULPAQXSLSA-N 455.511 0.910 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(C)=O)CCO2)C1 1783885299 YERRFCOUOUMKEV-KKSFZXQISA-N 454.524 0.642 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)[C@@H](O)C1 1785367591 YGNFCAWQHCMJOR-HKARXFIJSA-N 462.547 0.738 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859577 QHQMALGXFJFSGF-OKYOBFRVSA-N 495.621 0.524 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)cc1C#N 1786894626 VJGQRXDCISGQPK-WBKMXMRLSA-N 471.558 0.532 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4nc(N5CCOCC5)ccc34)[C@H]2C1 1787176278 WACUMNXFFXTHFV-IWFBPKFRSA-N 496.568 0.198 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787494339 KKSDTCZVXDCQJO-CAXGVCPASA-N 455.540 0.954 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)NC(=O)CO4)[C@H]2C1 1788360971 UYYQYLLKGUJLNN-IZYOTDRFSA-N 468.510 0.469 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)[C@H]2C1 1789693858 TZIZVJLAJZGKPJ-GYMGYDRYSA-N 486.544 0.841 30 20 JCED O=C(Cc1ccc2ncnn2c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1789716615 YKIRVDIFXGAGOZ-ACRUOGEOSA-N 465.554 0.950 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(=O)n4O)C[C@@H]32)c(C#N)c1 1789839981 CPEDFWOHLQODRA-LRQRDZAKSA-N 466.494 0.802 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C(=O)N(C)C)c1)C2 1792491224 CADXAONTDQYVLX-ZQMKECSJSA-N 454.527 0.450 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)cc1 1793009575 NOJBZSSJTDAGCV-BMFAXAFESA-N 460.556 0.555 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]([C@@H](C)OC)N(C)C(=O)OC(C)(C)C)C2 1793345878 TULBPKOKODIEDX-FGSPNWDHSA-N 481.590 0.885 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1793359363 WFNIGWDSQGDPCW-RCFCFVIZSA-N 467.563 0.395 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1793381746 LRHSZHQXQYXGNG-UNLOAFCFSA-N 463.600 0.710 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1793595989 VHBISHLOANLFFF-UMPJEAMMSA-N 477.518 0.560 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793713740 ZPWKOYDCPCSRFT-ZRAXVTTISA-N 496.568 0.938 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC1 1796358889 RWFNVXRGJWMIPO-IOAIDESMSA-N 476.574 0.738 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1797712320 CLQCTHFVTFJMMV-YZIUBNRHSA-N 467.522 0.892 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)n1 1797907406 MIJDZUCXKDZXOZ-JHDGKUDLSA-N 463.538 0.991 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1799232407 GEEYCROXBIBASZ-AXVVYFOYSA-N 487.557 0.670 30 20 JCED COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(OC)cc2C#N)n1 1799237375 JQNMFGHIAYEACE-BBIADKPPSA-N 467.526 0.856 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC(=O)c2ccccn2)C3)c(C#N)c1 1799239419 FGIPLVIQQITUPA-QSXDINTFSA-N 491.548 0.912 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCn2ccnn2)N(C(=O)OC(C)(C)C)C1 1801395776 MBRQBKYVBAFKPS-DMUMMCEESA-N 474.562 0.823 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccccc1 1802111372 FWWGIBCYKFNJLH-PHAMPZESSA-N 454.527 0.253 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1802126525 IFELVJBPDYJNKN-FCGDIQPGSA-N 475.590 0.774 30 20 JCED O=C(NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807945824 IMSNICSIVVEUDJ-KLIUIJDASA-N 475.469 0.239 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1810389468 ZFHVPPZWESLBKU-ZEQUCSKPSA-N 452.471 0.351 30 20 JCED Nc1n[nH]c(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=N/O[C@H]2CCCCO2)CC3)n1 1819556956 ZJLGTHRSCGRWGN-XKRYKJNBSA-N 462.536 0.917 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1828807836 UYRJORSEGVDNNA-URXFXBBRSA-N 485.541 0.003 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828808691 YVQAAIYUJLUCEY-CYFREDJKSA-N 467.526 0.973 30 20 JCED C=C1CC(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCN3C(=O)OCc3ccccc3)C2)C1 1828990434 PCFANLMZVPWDOM-QFQXNSOFSA-N 497.596 0.998 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCN2C(=O)OCc1ccccc1 1829151614 UGOYPOBNBPYTIM-RUZDIDTESA-N 495.488 0.926 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCN2C(=O)OCc1ccccc1 1829226392 ANZAFCJDGYKTNK-PNLZDCPESA-N 462.572 0.891 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1829333552 ACWDXMQWYOGHDV-SNGUERLCSA-N 481.505 0.419 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)cc1 1829901316 ZKUDPEDCZZJKQC-DEOSSOPVSA-N 463.494 0.365 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830049892 GPYQUEFPHOPNLF-VWLOTQADSA-N 484.553 0.773 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccc([N+](=O)[O-])o1)CCO2 1830903937 RIBYXXJZROWQGI-LRVXOOSSSA-N 474.470 0.516 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831202453 RAEAXKNOHFDYSC-DEOSSOPVSA-N 482.541 0.811 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831214930 CMXBJDFRFGVDLS-XMMPIXPASA-N 454.527 0.402 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)OC)C2)C1 1831433039 DSYHWSUCGDTLTQ-FZONSQQESA-N 450.532 0.789 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1831494382 XOAPAZPZTYFUQQ-GHTZIAJQSA-N 461.544 0.114 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1832000289 LCEKAZNWDUUQNQ-JTSKRJEESA-N 468.551 0.048 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)COc5cccnc5)CCO4)C3)c2c1 1832680098 PVYHNQFOLDAXDZ-XMMPIXPASA-N 476.493 0.979 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)CNCP(=O)(O)O)CC3)CC2)c1 1833236151 CVVPKOILVRQKCD-UHFFFAOYSA-N 491.529 0.787 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](S)C(C)C)CC2)CC1 1833449372 XAKZMQBTTAEQTQ-MAUKXSAKSA-N 462.682 0.840 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1833465364 BQKTXHIFEGNCNX-DAYGRLMNSA-N 463.604 0.399 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833651683 STYBOWLXEPECNC-FDDCHVKYSA-N 455.515 0.928 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)CCO2 1833726220 WTTDLCNZVORKRK-AREMUKBSSA-N 497.596 0.672 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(C)nc2)CCO3)c(C#N)c1 1833815590 OTDZMOHEXRCVEB-XMMPIXPASA-N 465.510 0.978 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCOC[C@@]4(CN(C(=O)C5(C#N)CC5)CCO4)C3)C[C@H]1CO2 1835345420 MANOBHIEQJABDF-VWMXVWASSA-N 490.557 0.525 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)O2)C1 1835352175 PQJIZYKWBCZZOT-KOSHJBKYSA-N 492.573 0.915 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1835677279 FEOOQPWDNRVAFZ-XMMPIXPASA-N 481.557 0.824 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836068096 WYEWGJAKIVNTQL-HXOBKFHXSA-N 493.561 0.846 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1837123436 DCOLQSOKMYEGGQ-HSZRJFAPSA-N 456.499 0.914 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1837311578 HLOKLLIGRIPLJW-RCZVLFRGSA-N 498.617 0.907 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1837397113 QHTISBLEIOGJLM-MBSDFSHPSA-N 461.515 0.511 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(C)C 1837444240 UMHOPACFZAELDN-MBIGCVILSA-N 452.552 0.502 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837491095 UQIHBSSEWZCPNB-WPGPLNCSSA-N 477.558 0.670 30 20 JCED N[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1cccnc1 1837562353 JXPZAJJQXJJQJR-ZGMIYEAISA-N 455.515 0.640 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c1 1837793021 SXKOVUVFMBRWOG-JOCHJYFZSA-N 468.470 0.892 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837983531 XSNVZMYJNNPQHZ-LPHOPBHVSA-N 493.557 0.443 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1Cl 1838595829 DMJLJCHWDSELBJ-NRFANRHFSA-N 473.873 0.797 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839163988 UDVDJSQGTDTHKC-IEGUWTFLSA-N 482.578 0.437 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1839185794 LSBQPGWMNGHMFN-STSQHVNTSA-N 482.578 0.437 30 20 JCED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)cc1O 1839186747 MFHUZLXMRWQZAT-JOCHJYFZSA-N 457.462 0.449 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c(I)c1)CCO2 1839471611 HWWIJEXTUVDPOB-SFHVURJKSA-N 485.278 0.980 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)CC1 1839487532 AGJMWJBCZZBOSL-VWLOTQADSA-N 495.584 0.142 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n4ccnc4n3)CCO2)C1 1839549211 TUAJZXFKBODMEN-JPYJTQIMSA-N 457.531 0.681 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1c3[nH]cnc3CCN1C(=O)OC(C)(C)C)CCO2 1839738695 DIXMBBQJVORKSG-WMZHIEFXSA-N 473.530 0.334 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](CCN(C)C)(Cc3ccccc3)C(=O)O)C2)C1 1839810161 HANJVBKLCAWVJM-LOSJGSFVSA-N 471.554 0.341 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810916 YAFKPWOHPDMZAV-SBUREZEXSA-N 463.531 0.102 30 20 JCED CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840087617 IZNVMKUFYKMPAO-HXOBKFHXSA-N 481.546 0.470 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1840162239 PWMSNFSVJMFAQQ-ZUZCIYMTSA-N 480.328 0.403 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1840173165 FXNISJKNXBSFOB-YZZKKUAISA-N 467.563 0.637 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1cccn1 1840445408 UNWCRKRRDUANPT-MBSDFSHPSA-N 453.499 0.851 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818053 HXTRWHREAZRQAN-GBXCKJPGSA-N 456.543 0.878 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)COc5ccccc5C#N)CCO4)C3)(C1)C2 1840820256 GQSAMGHGJSCRGP-STEQJIOHSA-N 483.521 0.737 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840882568 KIIVHHMKJISHNM-JTSKRJEESA-N 482.534 0.203 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840885249 VICJHTVAYSLZML-YQSPIZQZSA-N 469.535 0.561 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 16775589 MMHJIBPVQXFJAT-UHFFFAOYSA-N 462.553 0.955 30 20 JCED CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 516047318 DXRNJVDLVHBLIW-UHFFFAOYSA-N 499.549 0.545 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 603591870 MMHVCHUUDGQOBF-UHFFFAOYSA-N 484.538 0.507 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)CC1 728590157 UEFZWEFOSBZHIP-UHFFFAOYSA-N 483.388 0.414 30 20 JCED CCN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1295074315 VVMOSBCJIALXFU-HNNXBMFYSA-N 453.569 0.219 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccsc1)N(C)C 1303866540 IYWSBZKMNXYTHO-CWRNSKLLSA-N 453.594 0.981 30 20 JCED CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1314924879 QGDQEOJKFQTXAX-GOSISDBHSA-N 486.527 0.941 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)c1 1518052974 KQYUWINHPRDEQP-GOSISDBHSA-N 462.532 0.727 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCc2sccc2C1 1541946169 QRSNSMPXNKRDPX-GOEBONIOSA-N 465.605 0.737 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1543119398 WRTIDUXBDRGKHC-MRXNPFEDSA-N 457.556 0.914 30 20 JCED CN1CC[C@@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1554357906 JPXJBWGCTMUYOR-KNQAVFIVSA-N 489.602 0.186 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CCO1 1554451505 IJTFGACUHMDZIC-DYESRHJHSA-N 458.544 0.548 30 20 JCED N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N2CCSCC2)cc1 1698487983 IGXJLCSJWISYRZ-SFHVURJKSA-N 473.584 0.924 30 20 JCED CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1708771650 RAUXFSHSZMSGHV-DOTOQJQBSA-N 462.580 0.907 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C1 1710346942 OFNUAWLGUPEYPK-KRWDZBQOSA-N 466.589 0.769 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)CC1 1778114930 JQIDWBWDKBYPHI-QFIPXVFZSA-N 478.546 0.812 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)CCO2)C1 1778980155 RDSVVLGWMVVUEG-REYXVDKWSA-N 481.590 0.617 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1779067933 GKZNTVFXWVJORJ-QPPBQGQZSA-N 471.510 0.816 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@]3(CCN(C(=O)COCCO)C3)C2)CC1 1781320560 KIVJQNFAVTVCCG-QHCPKHFHSA-N 480.562 0.366 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781396150 NXEZDADSGNHNOH-NZQKXSOJSA-N 487.594 0.704 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3nnc(Br)n3c1)C2 1782010600 OOXJXLHVZSKVPE-JLTOFOAXSA-N 490.314 0.707 30 20 JCED COc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc([N+](=O)[O-])c1OC 1782015197 AVUGGKQNTKDEQK-VGOFRKELSA-N 475.454 0.828 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC(C)=O)[C@H]2C1 1783584042 UOLQBWJEGZGDIW-FSGKZVOOSA-N 478.590 0.797 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784253011 COPBHFCGHVBQIU-YCRPNKLZSA-N 454.524 0.642 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785150506 CSSUADHFKVBMGT-FJIDUMEYSA-N 462.623 0.615 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2)NC(=O)OC(C)(C)C 1785302472 SPIWKLVQTQLMBW-KXNSMUHISA-N 493.561 0.274 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn(C)c3C(F)(F)F)[C@H]2C1 1785528128 ULOVXHMRYMCPNN-UVWMWBFKSA-N 469.464 0.891 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1785623259 DHVRDDWBQMCUDK-VFNWGFHPSA-N 466.539 0.072 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCNC5=O)[C@H]3C2)cc1 1786261527 WKYWIMOPIGBMEV-WFXMLNOXSA-N 462.510 0.600 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 1786857596 VFBGNQSMYSXCSK-IEZWGBDMSA-N 477.587 0.360 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4nc(N)n[nH]4)[C@H]3C2)ccc1F 1788504654 FAELDFCDIZTYCO-ZVZYQTTQSA-N 455.494 0.553 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C[C@@H]32)c1 1789511227 DYELUYQFTVREBY-BJLQDIEVSA-N 465.466 0.922 30 20 JCED O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1790654136 RYIRLQUUFPPOJC-BJLQDIEVSA-N 486.525 0.435 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1791102564 ICDKZAMPOHCKHN-QAETUUGQSA-N 478.546 0.726 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)[C@H]2C1 1792082923 XCMIWXVWEAALHY-JBACZVJFSA-N 477.583 0.877 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1793354267 PCXOAXANPCEZGL-AVEIZBFRSA-N 455.552 0.443 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)c1 1793620368 SWXFEDSSXIBTQP-JYISGYRJSA-N 450.495 0.832 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nn1 1794568274 NIVQVDTWRJZWJN-LOAAXEFPSA-N 473.530 0.855 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Nc1cnccn1 1797781062 OJKTUPNKOQYHTR-JNIAIEOXSA-N 486.573 0.783 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1799321520 DBPAZELFRDRJMM-OYNZLANYSA-N 481.594 0.028 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)N2CCOCC2)C3)cc(C(F)(F)F)c1 1799785803 OBKGBAXMBKSLGA-WQDJSCAQSA-N 482.459 0.431 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1802145776 SGHSBAJXTIALHA-SSTJLMRISA-N 484.601 0.918 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC3(CCN(C(=O)C#CC(=O)O)CC3)C2)[C@H](O)C1 1804796894 CZNWQICVFVQPCT-QZTJIDSGSA-N 477.558 0.924 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809661611 VPWJXCKMCYMFRV-KOMLCTQHSA-N 460.468 0.471 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185373 PWTOUNOERCLURF-IDHHARJASA-N 460.581 0.986 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@H]3CCc4nc(NC(=O)CN5CCNC5=N)sc4C3)c2c1 1814927562 GBSPUKZOKLCQMA-LBPRGKRZSA-N 463.527 0.957 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1819451061 JDYDRIKQLLTVPM-MVAZDOBMSA-N 496.590 0.661 30 20 JCED CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1)C(=O)C(=O)O 1821716117 XZKKFTYUECZZBJ-CENMRFABSA-N 464.479 0.474 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1828287178 YRHJNIALNGOSIJ-SDADXPQNSA-N 477.587 0.695 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828522751 OXEIWMKGDHYSAC-ZVWIGDQWSA-N 484.509 0.461 30 20 JCED COCC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1828578358 CDXDIWCMKFKGNT-RUZDIDTESA-N 483.521 0.953 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1828922639 ONGQBCLPWKFLEC-MHECFPHRSA-N 496.524 0.340 30 20 JCED O=C(CN1C(=O)CNC1=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828971198 WPEMNONLUIUVMF-XGHYCODVSA-N 463.535 0.687 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1829260725 DSTZEOSLZYBRBP-HYBUGGRVSA-N 454.527 0.986 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(N5CCOCC5)cn4)C3)C2)C1 1829665094 RXBFZICMCWZVBO-DEOSSOPVSA-N 456.543 0.954 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOc3ccc(F)cc3)C2)C1 1829762420 JXOQLJKKSVSHQV-IBLIISRWSA-N 475.517 0.909 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1829773494 LDVKRUYKHXQCBU-UZQCKINESA-N 461.490 0.246 30 20 JCED CN1N=C(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CCC1=O 1829898415 DGMOYZYFHFYMSJ-HSZRJFAPSA-N 453.499 0.165 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907652 NQJDJZBPVYFOHA-RDGATRHJSA-N 494.552 0.028 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830997836 ORKJNVMYLASXCI-MFEFFIJZSA-N 479.530 0.224 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218057 JOKBHAFOHMKVHC-XDHUDOTRSA-N 457.502 0.814 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C2)C1 1831386607 AXVQSIZKHVJCOT-QFQXNSOFSA-N 484.597 0.547 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccc(N(C)C)c3)C2)C1 1831387499 QGBAUQBDYWLHSV-NTKDMRAZSA-N 459.543 0.626 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1831396755 IQMHOZXHYATJSE-QMHKHESXSA-N 473.482 0.638 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1831397013 NVVKCLMICUFVMD-CYFREDJKSA-N 460.527 0.556 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC#C)NC(=O)OC(C)(C)C)C2)C1 1831401745 DRRIJRCFEKTENH-KHCICDEESA-N 477.558 0.398 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1831402476 IGYQQPRCDJDXQH-CJAUYULYSA-N 481.505 0.224 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1831420193 UIXQNXDFISPKGG-MLGOLLRUSA-N 456.389 0.389 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1831426994 OPOYIHNZSPRUSN-JTSKRJEESA-N 458.519 0.402 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc4ncccn4n3)CC2)CC1 1833074963 IPGLLJHEZXTHNJ-PLNGDYQASA-N 465.558 0.773 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)/C=C/C(=O)NCc3ccco3)CC2)CC1 1833075070 NGLKLLPMSADWMF-IGTJQSIKSA-N 497.596 0.882 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833144648 WYQCZOLYULDWFV-UHFFFAOYSA-N 451.568 0.339 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833411203 BBHHWZQTXCUTGO-QMHKHESXSA-N 491.545 0.112 30 20 JCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CC2)CC1 1833707580 FGBSFYCADABOOF-OAQYLSRUSA-N 476.647 0.948 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833764627 IPTMZKXHEAXQJR-LJQANCHMSA-N 482.541 0.107 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3conc3C)CCO2)C1 1834341561 PWZBGQJVAPDCKG-JPYJTQIMSA-N 476.530 0.970 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccn2C)CCO3)c(C#N)c1 1834398864 CODRBFBBOCKBQK-HSZRJFAPSA-N 453.499 0.613 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834753241 CPGPRTZQYBLGGC-QHCPKHFHSA-N 456.499 0.137 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]n3)CC2)CC1 1834953311 VOQWALHUFCWIGE-GOSISDBHSA-N 473.578 0.907 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)[C@@H](C1CCOCC1)CN3)CCO2 1835500270 OBGYAYZAFYUEQU-QFQXNSOFSA-N 497.548 0.780 30 20 JCED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835628740 WXZZWHVYIVNDFM-QFIPXVFZSA-N 465.470 0.697 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1835712967 CBPOAMIBOQNZDD-LPHOPBHVSA-N 451.612 0.839 30 20 JCED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)C(=O)O 1835761830 AVXVGBVPZMUYOF-IERDGZPVSA-N 464.906 0.344 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2)C(F)(F)F 1836259740 LOHFBWREAYWIKE-QGZVFWFLSA-N 478.449 0.027 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccco3)no1)CCO2 1836412926 QURDGZCSRKDYDX-IYZQMXKPSA-N 470.482 0.863 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836684637 GEUZKEMCOAVBCP-ZJSXRUAMSA-N 456.543 0.648 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3ccc(C(F)(F)F)cn13)CCO2 1836965184 JJMLMMAHUZIOEL-FQEVSTJZSA-N 480.399 0.511 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837079871 ZVZYBBBASFZGKO-HBAGGBEISA-N 454.531 0.876 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837138311 YCFMYRMUKOOJLO-XDHUDOTRSA-N 471.510 0.465 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1837399608 XTCJICKCNJLQQS-HOYKHHGWSA-N 476.574 0.316 30 20 JCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837436907 JGQLEBBSLQRPJO-DEOSSOPVSA-N 465.510 0.986 30 20 JCED O=C1Cc2cccc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)c2N1 1837447353 YXSLDBILMNFCBX-SKLAUCLBSA-N 469.542 0.723 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837467226 ZMSPTQVWBYEXBM-JOCHJYFZSA-N 477.562 0.180 30 20 JCED CCc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1F 1837488660 NKOOATRUOSYZAJ-QHCPKHFHSA-N 462.522 0.880 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837490895 SMKVMDIZJAONPA-FQEVSTJZSA-N 485.463 0.592 30 20 JCED CC(C)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)C(C)C 1837527152 KINSLUYGFFALSU-ILHMOADUSA-N 468.595 0.994 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)CCO2)C1 1838483690 NNEBGJWNBHBLMN-PEBXRYMYSA-N 457.556 0.959 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(C(=O)OCC)c3)CCO2)C1 1838719406 UFJHPPJXRZRICU-SBUREZEXSA-N 459.499 0.367 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838904739 VINCITYOFHPUBH-DVECYGJZSA-N 488.541 0.514 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839108938 VDQQAKDBFBTDPG-HXUWFJFHSA-N 456.534 0.434 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CCC5)C4)C3)cc2C1 1839622985 HCGCOKUFGZZSMV-QHCPKHFHSA-N 456.547 0.482 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1839801692 XTYVAQQWZVSAJE-HSZRJFAPSA-N 475.567 0.783 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839871490 JPDAQLMQBGODTJ-SEPYTNNBSA-N 480.562 0.048 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1840026469 KYNGPZMLUJYBCC-PNLZDCPESA-N 455.552 0.683 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840177415 ZEZHNBXMOLBJTK-DHIUTWEWSA-N 459.499 0.173 30 20 JCED CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)OCC 1840281696 JCDALZWCSPLMFU-DEOSSOPVSA-N 466.575 0.931 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1840291840 IYNFHNHERXXIKM-KRWDZBQOSA-N 452.401 0.992 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)n1cnnn1 1840474618 YCLRYBQFORASBX-JTSKRJEESA-N 453.503 0.195 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c(C#N)c1 1840550463 YLPFLFZNVHDKCH-QFIPXVFZSA-N 479.555 0.000 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CCCC34CN(C(=O)/C=N/N3CCCCC3)C4)csc2n(C)c1=O 1845014300 SBWMYKXDRKTEDD-WYMPLXKRSA-N 486.598 0.516 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 16123294 LRPMOLVGEIDLOZ-UHFFFAOYSA-N 479.536 0.544 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c1=O 23847440 VCXBWFFDNMUAPM-UHFFFAOYSA-N 468.558 0.374 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc(OC)c1OC 480155670 VQLIMSMCWHQRPS-AWEZNQCLSA-N 459.524 0.271 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 549150041 LCURMHLLZFRNSL-UHFFFAOYSA-N 471.564 0.067 30 20 JCED N#Cc1cccc(CNC(=O)CS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 553393138 IPYTUIDADMKZFH-UHFFFAOYSA-N 464.525 0.064 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 603797393 YSGMMHCQHVOLQC-UHFFFAOYSA-N 471.539 0.179 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 604181235 AFYIAORKGCJLGZ-UHFFFAOYSA-N 494.508 0.842 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC(C)(C)CN(C)C 608912481 OINOVUVOKOKQLN-UHFFFAOYSA-N 472.611 0.772 30 20 JCED CCOC(=O)C=c1sc(=Cc2ccc(O[C@@H](C)C#N)cc2)c(=O)n1CC(=O)N1CCOCC1 728695996 KFHOHKCETAWVMI-INIZCTEOSA-N 471.535 0.232 30 20 JCED COc1cc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc(OC)c1OCC(N)=O 730547957 OAHUJJWXKFYWNM-UHFFFAOYSA-N 492.558 0.345 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCOC 916200595 IFAGQQXGCHPVAV-UHFFFAOYSA-N 451.495 0.880 30 20 JCED CCCS(=O)(=O)N1CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 917134238 MSQLDCHPGNCKAC-UHFFFAOYSA-N 456.590 0.826 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)c1 918279285 RLKZMGNRDNXWHX-NCELDCMTSA-N 493.586 0.583 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286536764 SJGXCMICFKWDLR-QWRGUYRKSA-N 456.388 0.420 30 20 JCED CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1298740701 TWICMJICEGVTGK-IBGZPJMESA-N 474.587 0.932 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1303836379 KYBUVGBZCCRPDY-QAPCUYQASA-N 457.576 0.566 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CCO1 1359453016 YAATWVRCONUIPK-UGKGYDQZSA-N 456.503 0.221 30 20 JCED CS(=O)(=O)CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1)C1CC1 1505133465 PGAYIFZWWYZJPA-OAQYLSRUSA-N 461.544 0.894 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1611686983 PEUZSQXONDTGFX-LIRRHRJNSA-N 484.579 0.976 30 20 JCED Cc1cnn(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c1 1612343067 JHXJXWBDTQTBKJ-QAPCUYQASA-N 452.516 0.258 30 20 JCED COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)C2)cc1 1682182365 WULXQLLNJDMCJZ-UHFFFAOYSA-N 456.528 0.867 30 20 JCED CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1706647039 JRUBMWMUDREYMY-GOSISDBHSA-N 475.575 0.644 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCC(F)(F)F 1706865754 CYMGVHSGNGBSLD-LLVKDONJSA-N 451.475 0.697 30 20 JCED Cc1nccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1725744156 PNBFBEWYKPTUQI-YLJYHZDGSA-N 462.580 0.946 30 20 JCED C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1743383550 LPKWOLKSERXQNC-UZUQRXQVSA-N 453.547 0.567 30 20 JCED COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1767870292 MBYURVHKIUUYQZ-LAUBAEHRSA-N 459.528 0.756 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1)c1ccc(O)cc1 1778790433 QYUXHPNCJXFWAM-XZOYJPPVSA-N 473.526 0.784 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1778898544 HZSJTRLCKOHIOT-NVVPVNLFSA-N 450.495 0.710 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1779100902 GWGHZIUZMIMUBB-UZWDYZERSA-N 480.543 0.458 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779419574 BSBCLQMRGCFDRF-GXRGRJPFSA-N 452.552 0.944 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)[C@@H](O)C1 1780330062 IQNZBJPUFQBWBL-KDLAUNOPSA-N 487.557 0.948 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1781165576 OPDJATIICXTXRU-BXKMTCNYSA-N 487.557 0.910 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2 1782010837 ZZOWEZSGVVTBRZ-DNRQZRRGSA-N 469.538 0.489 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783164669 BCZILQYQZMVCAF-UMEGOILYSA-N 484.553 0.824 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21 1784495040 SKOLSIQHTBGDOI-MUGJNUQGSA-N 454.520 0.444 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369356 INGHYVSQXLHIAZ-HJPURHCSSA-N 478.546 0.967 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)Cn3cncn3)CCO2)C1 1785577951 SEBONMWTVPGDEE-IUKKYPGJSA-N 474.562 0.661 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)C1 1785596288 OZUBLJGWSXFKNH-OYYQPBACSA-N 496.561 0.350 30 20 JCED Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)s1 1787057197 LZPACRLCTXWKNP-GETUGTSYSA-N 451.549 0.898 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)[C@H]2C1 1789260876 SBRUQSLXUITHBP-HIMLDCRRSA-N 482.537 0.858 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)[C@H]2C1 1791155579 XPDZFNLGPRRURY-JROFNHFXSA-N 464.563 0.738 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1792566372 VLQLXPLJQODJON-RHXYOOSCSA-N 463.579 0.725 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)C1 1792633288 JPOWMEYDDALYBC-ZHCJQAHYSA-N 450.536 0.354 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1C 1794746713 JBSYDWFFKWIITC-ZMMAXQRCSA-N 459.547 0.848 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)N(C)C)N(C(=O)OC(C)(C)C)C1 1795466553 ZRWJHQIDEAYAHP-YVSFHVDLSA-N 450.536 0.230 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1noc2c1C[C@H](NC(=O)OC(C)(C)C)CC2 1795912171 WTDQDUKLAALFGG-NXEZDXNNSA-N 458.515 0.893 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1)c1ccc(O)cc1 1796358578 ZCQLUKXODUXVSY-FSTVOOFJSA-N 466.494 0.994 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797278346 FLBUTDYVIKEAGM-DLRJPAPCSA-N 463.531 0.844 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1)NC(=O)OC(C)(C)C 1797626667 CNADHMRBRSPSED-UIVXKWKOSA-N 491.593 0.769 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2cccnc2)[nH]n1 1798157111 YDEOVTBIWOJZET-GWUNTCDZSA-N 450.499 0.533 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1798692281 DLFXTNHNRAYCNC-RUMRUAAYSA-N 496.612 0.812 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2 1801001422 NRPBIBQFTXRXLQ-AXVVYFOYSA-N 466.579 0.914 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cc1 1801657879 YMYPDNSEMTVCRN-IYWMVGAKSA-N 484.553 0.905 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2)NC(=O)OC(C)(C)C 1801930444 GVDXQPUGIWKEBE-GFAJBQDWSA-N 464.563 0.572 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O 1804476034 CKNTUERUYOHVHC-QKPAOTATSA-N 496.565 0.098 30 20 JCED C=CCSCC(=O)N1CCCC2(CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C1 1806675221 UXNOTLNFIAVLOT-UHFFFAOYSA-N 488.614 0.584 30 20 JCED C=CCSCC(=O)N1CCC2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 1806897419 AUJJYGIIIGTHIB-UHFFFAOYSA-N 488.614 0.584 30 20 JCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@@H]2c2cccnc2)CC1 1807736131 DEENZJNHNKKNQV-KSSFIOAISA-N 454.512 0.856 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]1c1cccnc1 1813095721 JZSAGMZDZQYXGG-YLRDJVGTSA-N 467.448 0.624 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1814060626 VOCFHLKNOGUSJP-NPPFBWRTSA-N 476.493 0.636 30 20 JCED C[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1822384891 JBQSAAVXZCSCFT-NZBPQXDJSA-N 480.616 0.900 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCN2C(=O)C=CC2=O)CC1 1823745821 OGIYUGSEUCUIEQ-RURPWVQCSA-N 456.543 0.780 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828521337 ZYHFRSGPYJNMLM-UZUQRXQVSA-N 461.515 0.340 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC(=O)NC)C2)C1 1828579922 JSQGBQOHRLNSAZ-UQBPGWFLSA-N 484.553 0.613 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)ncn1)CCN2C(=O)OCc1ccccc1 1828599744 JYEKCFJLMIYKSC-DEOSSOPVSA-N 493.476 0.336 30 20 JCED O=C([C@H](O)N1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828976309 UHPXXZMFXMUNRE-KSYSBNNHSA-N 466.579 0.786 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4cccc(F)c34)C2)C1 1829771083 DIRLNWWXNJKGFD-KSEXMQBYSA-N 471.489 0.630 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1830059747 KOSVKBXUOVTKBF-OAQYLSRUSA-N 460.443 0.943 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccc(OC)cc1)CCO2 1830211444 VCFGXCBPNOOVLH-DEYRORHWSA-N 473.526 0.043 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)C4CC4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1830607938 ACKKNPRNORCLDF-UUOWRZLLSA-N 477.558 0.988 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1831490434 BOYNBFHWHVCDMG-LAUBAEHRSA-N 465.576 0.041 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831989924 BBZUWDVDDLWVOC-PTJKWTKHSA-N 469.535 0.704 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO3)c1 1832160138 ADQOPFNUQRNSQU-PMACEKPBSA-N 471.432 0.950 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCO3)c1 1833389936 WIVQSESXYTYRQJ-XMMPIXPASA-N 481.509 0.651 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833678123 BADDICVXFQFLKN-UHFFFAOYSA-N 482.541 0.060 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c(O)n1 1833698417 HLJABQXKPWVQJT-HSZRJFAPSA-N 485.497 0.491 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1833863409 SDBUDRFHFRAWIQ-IOUFHMPJSA-N 474.539 0.999 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834621348 XWVVRMIUIXFKES-UHFFFAOYSA-N 450.580 0.400 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834766133 YXGOYCKEGZTIRF-MIVHDCIWSA-N 478.546 0.381 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)N4CCOCC4)CC3)CC2)c1 1835765946 DJGFKLRMVQGJAE-DEOSSOPVSA-N 455.559 0.394 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)nc5cccnn45)CC3)CC2)c1 1836098612 ZTHJHDYBRVCUEZ-UHFFFAOYSA-N 474.525 0.788 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c(C(F)(F)F)n1 1836321997 UPIRYUWKUKKTHH-OXJNMPFZSA-N 465.432 0.570 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836764121 CDDIRAHPJQOUEZ-URXFXBBRSA-N 462.591 0.375 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1837077036 WBXAYAXYRTXHRO-KRWDZBQOSA-N 450.536 0.110 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837382097 WQGZZHGQPABTPS-QMHKHESXSA-N 473.530 0.344 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837386056 KDLIQRPNARNZFC-SBUREZEXSA-N 473.530 0.101 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1837527287 KNCJSUMDLIDTHU-KKRXVXNVSA-N 450.467 0.820 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837529808 ZDINQWWOZIGKGW-NBBJKDIKSA-N 472.502 0.557 30 20 JCED Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1Cl 1838307639 XDPSGWVATWYRLI-FQEVSTJZSA-N 452.943 0.425 30 20 JCED CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2)C(=O)c1ccccc1 1838733036 LJSTZUFFCYMOFF-DEOSSOPVSA-N 465.510 0.729 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)ccc1F 1839187270 STNJHPJSMQKVEU-REWPJTCUSA-N 487.557 0.723 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210048 BZQXVHGGESVZQV-XFAGBWLFSA-N 499.605 0.292 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839210191 HIJPSNFYDQOTRM-HXOBKFHXSA-N 491.545 0.232 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1839227699 JJNDRBXFJRONNW-BSRJHKFKSA-N 475.546 0.457 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839351094 PXFOSZCJXMCKBK-HQQBKKBHSA-N 454.483 0.568 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839364120 NGSWOBTTYMBZKB-GOTSBHOMSA-N 459.499 0.438 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839645754 QLHZBUCDGGQWBF-YQKALOBUSA-N 494.589 0.952 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839683568 GUANYYQBWWIWLD-ACIVSAMGSA-N 454.524 0.476 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1)C(F)(F)F 1839892003 MPPWBEWNVPLMTA-ZUOKHONESA-N 486.447 0.568 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C(=O)OC)CC2)CCO3)c(O)n1 1839896072 BHIJVMVVLFHXCN-QHCPKHFHSA-N 473.526 0.929 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840009397 YXZBTHWWNKRNIE-YGKZAACZSA-N 499.630 0.787 30 20 JCED CCOc1ncc(Cl)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042175 FWPMBSAVHZSBHO-FQEVSTJZSA-N 451.863 0.292 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840077123 ATWCFSDVSTVWIR-WMZHIEFXSA-N 472.579 0.086 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1840108349 RNAFPPQWLZLCJO-MFEFFIJZSA-N 480.562 0.048 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)c1 1840715322 XBUDUUOSFINERW-RVSNTGDXSA-N 472.542 0.034 30 20 JCED Cn1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840819235 XOKWPQWHWFAFEW-HSZRJFAPSA-N 453.499 0.370 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1841602905 ABRZJTMXWOSVFN-IAGOWNOFSA-N 485.603 0.556 30 20 JCED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2)NC(=O)OC(C)(C)C 1846932524 CTIZTNVRZNRGDM-HKUYNNGSSA-N 466.579 0.700 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccccc2C)c1=O 501770900 QVUMWQCXRVFJFE-GOSISDBHSA-N 469.563 0.970 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)NC[C@H]1CCS(=O)(=O)C1 509733081 ZEJNPHNZXAVBQO-ZYHUDNBSSA-N 453.464 0.795 30 20 JCED N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O 524282642 BJSNTTTYGQPVBW-UHFFFAOYSA-N 492.467 0.640 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119832 OFOUOMFAFGDMCJ-UHFFFAOYSA-N 475.592 0.522 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(=O)N(C)C)c2=O)cc1 608788406 IMBJYPSKCHWAAH-UHFFFAOYSA-N 455.536 0.903 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CCNS(C)(=O)=O 608912538 PZZJYYWHSMSJMX-UHFFFAOYSA-N 492.623 0.277 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCc1cccnc1 609038510 PYUGARLRCIIYNR-UHFFFAOYSA-N 482.537 0.961 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)cc1 726299535 WAABMSKUUXEZIL-MOHJPFBDSA-N 465.576 0.665 30 20 JCED COCCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403502 KMIOOAHCKCCHLJ-QQMHEVNUSA-N 454.574 0.839 30 20 JCED Cc1nn(C)c(Cl)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 839207626 JHKVQHJORQTMDO-UHFFFAOYSA-N 465.919 0.944 30 20 JCED C/N=C(/NCCN1CCOCC1)NC[C@H](O)COc1ccc(I)cc1 849072757 DPKUYASFJZZTFR-HNNXBMFYSA-N 462.332 0.528 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)CC2)o1 915377783 FMAXMOMJNNPUDR-RCDICMHDSA-N 472.502 0.547 30 20 JCED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916933686 IYQUOZCKVYWLNQ-MRXNPFEDSA-N 456.480 0.777 30 20 JCED CN(C)CCN1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918256636 HYDXOMILKCQHCV-QQTULTPQSA-N 478.619 0.580 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1 918607712 AADHVRNLKVHKLP-PGMHBOJBSA-N 454.534 0.150 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1502309970 PZJCQGPCVJKSPJ-QWFCFKBJSA-N 493.682 0.091 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1507784752 KDVJKSNYEKBQAI-OLZOCXBDSA-N 450.359 0.745 30 20 JCED CC[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1516869369 IFBODGITHYILKB-DRKIFQHWSA-N 480.616 0.888 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 1565620952 JRVKNLLAKWPYQH-CQSZACIVSA-N 450.542 0.937 30 20 JCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1666858263 VZQMJNRCBUDHCF-KGLIPLIRSA-N 453.464 0.353 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1731019917 GETYUUJKUKAGGE-INIZCTEOSA-N 463.539 0.722 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1751232990 WHKPPOYBLVRAOA-SJLPKXTDSA-N 492.650 0.713 30 20 JCED CC[C@H](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1763458567 WINOMZTYBNECJA-FRYIKTPZSA-N 495.650 0.849 30 20 JCED N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(=O)NCC(F)F)CC2)c(F)c1 1770738650 MZJKXKTWIIATJA-HNNXBMFYSA-N 476.463 0.948 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)CC1 1778939405 HFJMKNKOFUCKEB-QHCPKHFHSA-N 488.545 0.233 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCO)C1 1780761803 PCYHHQFPCBCQFC-PMAPCBKXSA-N 469.579 0.979 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)COc5ccccc5C#N)CCO4)C3)CC2)CC1 1781112635 YYPMDUGZCYEQOI-XMMPIXPASA-N 467.570 0.547 30 20 JCED CN(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170044 LTMAOJYTVUDWTH-QHCPKHFHSA-N 463.579 0.919 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1781270236 DBHGICGFCDGNHC-QHCPKHFHSA-N 485.497 0.631 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1781392933 GCGPKHAUYYDWBV-NYCQLSGJSA-N 474.558 0.797 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783180149 SSEDCYKBGSWBHX-CBGOGXAZSA-N 464.563 0.810 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c3ccc(Br)cc3c1=O)CCO2 1783564674 BMMCEBSNODMSNP-OAQYLSRUSA-N 488.294 0.822 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1783991775 CMFDBOFYZNEINR-RODYCCICSA-N 478.546 0.564 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C[C@@H]21 1784500501 SFQOPGQAJUXBSI-DGYLXYOXSA-N 473.570 0.737 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2)NC(=O)OC(C)(C)C 1785305289 YOBSWHNGIROBMF-NRYAXDJKSA-N 496.605 0.326 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1785517647 VGVNILHMXBUNSI-FDDCHVKYSA-N 463.531 0.686 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccn4c(O)nnc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c1cc([N+](=O)[O-])ccc1F)C2 1792484660 WHEDQACIMWWNKZ-JLRLZTEKSA-N 460.462 0.724 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261764 PSXHYIVLXGESTO-XNFGBDPYSA-N 461.559 0.750 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1793594999 JHRFWPSWYZIHIW-JTJHWIPRSA-N 480.606 0.768 30 20 JCED C[C@](O)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C(F)(F)F 1793689937 NEZHXVMBUDQAKF-MEUQOTJWSA-N 454.295 0.245 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794365642 AEGAOOMOKFCLJE-BASYENTBSA-N 489.529 0.847 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794365643 AEGAOOMOKFCLJE-KRXQYRFLSA-N 489.529 0.847 30 20 JCED C[C@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083097 AWWMMDARZNHJOL-AJDBGRLRSA-N 463.538 0.903 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(C)(=O)=O)cc1 1795414587 ASBWWOUUVVDXPP-JWVYWZTKSA-N 450.557 0.813 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3)C2 1797816770 RIVCLOIVTPUEGY-IXLLBFHCSA-N 456.499 0.913 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798428008 ARUDRRXLLDYQMM-BUMDURSCSA-N 451.568 0.982 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(C)=O)c1ccc(F)cc1 1799052427 MZDWQIROWWIIKH-RFBFYKITSA-N 472.517 0.451 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)Nc2cnccn2)C3)c(C#N)c1 1799239674 GEIBNKZWJPDIBM-JYISGYRJSA-N 464.526 0.990 30 20 JCED C[C@H]1[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CCCN1C(=O)OC(C)(C)C 1799250035 XXTUYPXEOOHQAQ-GHHWKCCRSA-N 463.531 0.700 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1799391209 HNAKQHJFBMFTAK-AFIMGQEJSA-N 481.513 0.575 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1noc2ccc(Br)cc12 1800119730 ZPHCQXHROOGZJV-YQYWCBKUSA-N 462.256 0.882 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3cc(Br)ccc3c1=O)C2 1801986556 QKTDWQVUFSWDRR-QDMKHBRRSA-N 487.310 0.885 30 20 JCED Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)no1 1801992832 ZKMAVZIVZNQFAV-GPVSGQMNSA-N 467.482 0.852 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1802482747 OJACZKNXPSXLMP-NRKRDLSISA-N 482.585 0.110 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1(O)CCCCC1)C2 1802844595 YRTQGEXCTBFAQF-GFOJFJKKSA-N 455.559 0.794 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1803552693 IMTXAPLGGRBGEU-ALKREAHSSA-N 460.581 0.986 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)c(C#N)c1 1808173575 SJONKQYLHISGDX-OPXMRZJTSA-N 493.564 0.861 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1809595497 IBVXVDLQRYZCAP-AMIPKAHJSA-N 454.575 0.193 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC#N)[nH]n2)n(C)c1=O 1815799962 UUJYNEWYBXAFNR-AWEZNQCLSA-N 467.490 0.153 30 20 JCED COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1820191383 HGYQSZAFLFADSA-GBOMXBGUSA-N 467.548 0.735 30 20 JCED C=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CC[C@@H](N)C(N)=O)C3)C2)C1 1828486894 CINMVYSQXXPKCD-QFQXNSOFSA-N 497.596 0.998 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCN2C(=O)OCc1ccccc1 1828627162 ZCQVRXFOOUAZFV-DEOSSOPVSA-N 483.525 0.566 30 20 JCED O=C1CN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC3(O)CCCCC3)CC2)C(=O)N1 1828944450 DAIKLQGLMMWJPK-IBGZPJMESA-N 458.559 0.857 30 20 JCED NC[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1829049869 KJUYCFZRQCOEKY-YTTOKVEDSA-N 496.568 0.437 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c(F)cccc34)C2)C1 1829770088 DHKQHPIJDIHIHJ-FUMRIQNTSA-N 471.489 0.630 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1829854415 LDCMBGGUMQVQQN-UGJQDOKGSA-N 463.556 0.858 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cc1 1830218624 YEMJXEVKAUBKSZ-OZXSUGGESA-N 486.565 0.884 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)n1cnnn1 1830464521 IQMIUXHELJGJMZ-VGSWGCGISA-N 453.503 0.195 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830591666 HBBLYDUUDGLQMS-ODQLMNOUSA-N 479.574 0.683 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1831396806 KOSRPMPUNSIZOC-IXFSTUDKSA-N 465.547 0.491 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1831407170 QGKOYKAUZJLCNX-JOCHJYFZSA-N 450.536 0.582 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1831412175 FTYQBEDGMHZPQR-XMMPIXPASA-N 499.605 0.967 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)CC1 1831664631 FGEOBLAZLDAMAI-YJBOKZPZSA-N 456.499 0.700 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1832000787 WVNKVJIQBAFZMA-STSQHVNTSA-N 492.577 0.765 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1832003841 GEJHQAKASGPPEG-KUDFPVQQSA-N 454.524 0.285 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)CCO2)C1 1832004261 UUCWNYGDJXYNSB-FLFXDLLNSA-N 497.589 0.409 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832819924 ZYLROGLLPOOKAP-CYFREDJKSA-N 489.573 0.715 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833207977 IOHGXBLUFLOLAC-MEEJOMPNSA-N 467.910 0.729 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833400291 QQJQREZKBYXSII-GCJKJVERSA-N 481.571 0.128 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833400521 YJVLEPBUPKYOGM-HRAATJIYSA-N 451.545 0.767 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1833434284 VMSDATMSNGCYMK-OYHJGKDFSA-N 477.518 0.474 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835146452 QIBQWPZACQWAQV-OXJNMPFZSA-N 456.586 0.625 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCN1Cc3ccccc3C1=O)CCO2 1836591392 XDSMWJSEGQNDNX-FXXTWSIJSA-N 497.596 0.961 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(NC(C)=O)cc1)CCO2 1836656941 XWDMSLZQPXGNHD-KWQGRVAKSA-N 484.553 0.502 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1837396999 QHTISBLEIOGJLM-JPYJTQIMSA-N 461.515 0.511 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1837399019 LKGFSBHKFABLBD-MBSDFSHPSA-N 457.531 0.681 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837492557 MILASHSAISCBSI-XMMPIXPASA-N 467.526 0.727 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838418913 XXFFVLLWRPRLRH-JOCHJYFZSA-N 490.538 0.335 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc6cccnn6n5)CCO4)C3)c2c1 1838430104 SRJJHTYGQBLOLA-XMMPIXPASA-N 486.492 0.861 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc(C)cn4)C3)C2)c1 1838581993 YYWFNDIBRQDRBG-QHCPKHFHSA-N 453.499 0.842 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)c1 1838584817 IALJBAANKCRXGC-XMMPIXPASA-N 481.509 0.930 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cc2NC1=O 1838585813 QIFHMBXBAYZXCV-VOIUYBSRSA-N 453.495 0.889 30 20 JCED C#CC(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)CC2)CC1 1838744645 MGFUKXJXYZZZCO-UHFFFAOYSA-N 476.574 0.698 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)c(C#N)c1 1839131890 FYMVGBXNZSZEBE-OAQYLSRUSA-N 481.452 0.676 30 20 JCED C[C@H]1[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCCN1C(=O)OC(C)(C)C 1839136565 ZODSEEPRXYWCBZ-LLJLJFOGSA-N 493.557 0.566 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1839175111 POGGROINYMPQKI-KNQAVFIVSA-N 454.520 0.540 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839189662 XXDJJYFCTIKKBJ-NRFANRHFSA-N 467.519 0.131 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1839226086 DOPRUHBQSUNIQB-DENIHFKCSA-N 465.595 0.024 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839573656 TUIGJDZJGNFMMU-UUOWRZLLSA-N 457.527 0.824 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839885730 OCEUBHNWWCNHGU-CYFREDJKSA-N 496.605 0.829 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)CCO2 1840093234 UYIZPVSVVNTNJP-JOCHJYFZSA-N 498.001 0.878 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840158542 NANZMAJDEDTOFX-OXJNMPFZSA-N 456.586 0.543 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1840293687 PQRYBSMQMCWLPM-XMMPIXPASA-N 458.559 0.937 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840479635 CYGSGBPSULUYJO-DRSNIGMVSA-N 493.565 0.160 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCN(CC)CC4)cc3)CCO2)C1 1840774122 NAUPHCDIQRAHQS-CUNXSJBXSA-N 498.624 0.937 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1)NC(=O)OC(C)(C)C 1840795944 LBQZBQKQZSTFIN-QZTZHPFYSA-N 494.589 0.581 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840906719 HZENWGQASKHIGX-UUOWRZLLSA-N 487.557 0.392 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1840907234 QZWDQJACYBVQQS-UZUQRXQVSA-N 473.530 0.463 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)nc1 1842255373 RWVPSUSXIBIXDM-FNLSEGDXSA-N 450.517 0.831 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)[C@H]2OCC[C@H]21 1846196904 BLFQYTMDKPIYBZ-GPMSIDNRSA-N 461.515 0.692 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1847071306 XMQSYWLKJJIKFH-IBGZPJMESA-N 475.590 0.271 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C 1847804499 GXOUHRAZYPFTBO-VJANTYMQSA-N 492.621 0.773 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 25279174 HDNSWTGTLNJDKI-UHFFFAOYSA-N 480.543 0.851 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 592993731 VOBVGIDCOGLGTQ-UHFFFAOYSA-N 466.498 0.326 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC(F)(F)F)C1=O 726404189 SSTVMGJZQQLZQQ-LPCAMTDXSA-N 482.506 0.849 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CCN3CCC[C@@H]3C2)C1=O 726404313 VVLBOBYFIPVFKK-ZONPJBIRSA-N 479.628 0.897 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 729671636 RQTDKOSKWNATHQ-UHFFFAOYSA-N 451.913 0.406 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1COc2ccccc2O1 913242739 LDEQSQXOGDJLNK-HOCLYGCPSA-N 459.480 0.724 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 917133427 OZECWIGWNIIDET-HOCLYGCPSA-N 484.600 0.046 30 20 JCED Cc1ncc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3)c2=O)s1 917775119 XIBBSZIYJATLFE-UHFFFAOYSA-N 481.603 0.615 30 20 JCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CC2)c1=O 917791811 QTOAIWURGHPIAV-UHFFFAOYSA-N 488.997 0.858 30 20 JCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(n3cc(C(N)=O)nn3)CC2)CC1 1174614946 MYPRJRIGJUNRTJ-FQEVSTJZSA-N 454.510 0.562 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)C1 1287054102 PSBUJAKESRLXFE-ROUUACIJSA-N 489.577 0.980 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncnn1-c1ccccc1 1288826793 VKTGXJCYTSJHGN-IFXJQAMLSA-N 459.511 0.959 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1517538716 RKLDHYCUKFNIPQ-QZTJIDSGSA-N 473.559 0.192 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1554504047 RTVDNMHAYDKOBE-UHFFFAOYSA-N 471.522 0.622 30 20 JCED CC(C)[C@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(=O)N(C)Cc1nnc2n1CCC2 1617668507 YYPFVQKMXDOECH-GCJKJVERSA-N 458.611 0.489 30 20 JCED CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N(C)C)c2ccccc2c1=O 1695910248 ZDOSASLWGGXHQV-HNNXBMFYSA-N 450.503 0.882 30 20 JCED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C1 1696878407 PYMIGLGNCRAELZ-QHCPKHFHSA-N 455.563 0.564 30 20 JCED CC(C)(O)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1741253151 ZKOQKOTUOLKLCC-OALUTQOASA-N 490.586 0.615 30 20 JCED CC(C)(O)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1741253153 ZKOQKOTUOLKLCC-RTBURBONSA-N 490.586 0.615 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1747438808 VNFNHZGYIVKSRB-UHFFFAOYSA-N 455.548 0.902 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1761271376 OSQUGRMBTWGABQ-IBGZPJMESA-N 459.576 0.665 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1768463773 UXRCMEFFLBVFQI-UHFFFAOYSA-N 466.546 0.218 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1769127175 OGTHPMAZOYNXKO-OLMMMNRUSA-N 472.543 0.104 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)cc1 1781790249 MFQRCGJSPSMIIQ-XMMPIXPASA-N 462.510 0.840 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCOCCOCCOC)C1 1782065545 ZRJVAEVWFNGFEO-HUZGNZCDSA-N 481.590 0.428 30 20 JCED Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557125 HKBWSQMFLFGYNT-QFIPXVFZSA-N 460.487 0.904 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785304056 VGNVTTSLTNQUTN-MFEFFIJZSA-N 481.594 0.269 30 20 JCED N[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cccnc1 1786929149 BCMPHLBNAOMJCL-LSSTVSAISA-N 459.547 0.980 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)[C@@H]1CC[C@H]2CCC(=O)N2C1 1789769714 QCCNENVURTYIGV-GQRANXAOSA-N 459.591 0.839 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1789856878 LTSFJFHVKPERJI-FHWLQOOXSA-N 482.578 0.828 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCN(C)C4)[C@H]2C1 1790522588 KJWRILCSICQODC-WAIQQQGYSA-N 470.574 0.170 30 20 JCED CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C[C@@H]21 1790847920 JWJNIUDONKLPHC-NBOOPKSLSA-N 486.635 0.704 30 20 JCED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079376 MZRVGIQOKNBPEZ-VGWMRTNUSA-N 469.560 0.310 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)C1 1791330074 RAWYYVDQYYJLDN-CFLDLGCGSA-N 462.547 0.642 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792557160 WWRRTQRCDLZPNW-IIZPIQPGSA-N 486.569 0.966 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1792889640 SWFMGMLOFZUCEX-QXGSTGNESA-N 476.505 0.786 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793087414 CZJRWHGEJKOGFJ-SFNKJDCFSA-N 483.562 0.361 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(c3cccc(OC)c3)C1)C2 1793341414 PSUVXAGGAILAGY-BANDYGIESA-N 469.538 0.676 30 20 JCED O=C(CCC(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1793803989 XZRRVQYCADDTPU-NWFKIHRWSA-N 450.536 0.508 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)cc1 1795084472 WCVYYFJNHJXXRA-NZGUISNBSA-N 460.556 0.651 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795274520 IUOWUWBMZKFRBD-XAPVIXHLSA-N 471.554 0.903 30 20 JCED Cn1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc2c1-c1ncccc1OC2 1795936660 DBYGWNDIOFZGLF-YVWYUNDQSA-N 450.451 0.271 30 20 JCED CC(C)(C)OC(=O)N1CCc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)ncn2CC1 1797112804 FTYFPWCMMZFZDZ-HGKCTWBKSA-N 472.546 0.793 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1797119374 AVHBYMUJJNFSIU-NYXISSTPSA-N 457.593 0.512 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=Cc2ccccc2NC(=O)C1 1798436426 BPIJRBRPLJTLEU-BSQMBTRLSA-N 464.522 0.860 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1)NC(=O)OC(C)(C)C 1798637154 WPXSHEILIGGWOJ-UIVXKWKOSA-N 475.546 0.833 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1cccc(Br)c1 1799100511 WBPIXSFVDUMIDB-GGNLRSJOSA-N 451.273 0.160 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)cc1 1801443742 VBNWAEMXALXTDA-HGJUEJDCSA-N 495.605 0.919 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801444085 BKAZEWJSFCSVGQ-OJUAWKFGSA-N 468.645 0.759 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)[C@@H]1c1cccnc1 1807148927 BBLARLPEONBWQK-HCLVMJGWSA-N 459.547 0.985 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1810283996 JVWQMRSGFRMNMT-NQFYQGIVSA-N 466.479 0.284 30 20 JCED CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1812330844 PATNKEXFIOQUPO-HKUYNNGSSA-N 459.620 0.853 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@](C)(O)CC(=O)O)CC2 1814985675 OTZQYXQFYWCTEG-ODXCJYRJSA-N 451.549 0.953 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1815770013 XGKCKRGOZJMSBE-HEIWEOISSA-N 461.479 0.529 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC3)CC1 1818896796 FYGHRHAVNLAITI-HNNXBMFYSA-N 455.544 0.733 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC3)ccc1F 1822961980 PXEMXALVSJRPIH-ZFWWWQNUSA-N 458.519 0.901 30 20 JCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1823081966 ODPZJJOSTQTATQ-ZJUUUORDSA-N 459.492 0.296 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)ccc1F 1825327322 ABTOGBQLMNJPAB-MRXNPFEDSA-N 475.546 0.595 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc[nH]n3)C2)C1 1829331045 XNUXUGKMHHQZJY-HSZRJFAPSA-N 465.466 0.563 30 20 JCED CC[C@H](C)[C@H](N)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332486 NRRKNEJTYJQBDD-KDSXSNECSA-N 484.553 0.900 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1829349129 FDCYLZJAEDMFGV-DEOSSOPVSA-N 469.542 0.910 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C1(O)CCC1 1829739681 CTHHQAJBKAEKJZ-JYTGYTCASA-N 453.536 0.523 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)c1ccc(O)cc1 1830049027 VPDVBZVWPFFDMY-CPJSRVTESA-N 486.569 0.617 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1830573722 NUCXFQJKMMFTOE-PNLZDCPESA-N 455.552 0.541 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1831213716 ULEAKGVXTHLQGM-VWLOTQADSA-N 451.523 0.902 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)CCO2)C1 1831249017 KAKPGFPKRDTDDS-UTSGNWPNSA-N 455.511 0.674 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1831399145 PYYBTUYUYXJEMK-CPJSRVTESA-N 471.554 0.632 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1831438495 SQVZXEKIQHRSSM-NXMSCROESA-N 495.573 0.960 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831965952 OPCAALVLMQUHHC-STSLHBMMSA-N 468.457 0.959 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1831999960 FEGNKYATBOHCKI-YADARESESA-N 491.589 0.888 30 20 JCED O=C1CN(CC(=O)NC2CCN(C3CCN(C(=O)C#Cc4ccccc4)CC3)CC2)C(=O)N1 1833710496 JOCPRIRDQSYOHD-UHFFFAOYSA-N 451.527 0.162 30 20 JCED Cn1ncc(I)c1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834760457 NEAMXWLWJAEXAD-INIZCTEOSA-N 473.271 0.008 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(C)(C)O)CCO2)C1 1835271490 JMQCUJNVLSYGRO-GAJHUEQPSA-N 467.563 0.520 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)cc1C#N 1835399743 LJMZIQULLHRFSG-VWLOTQADSA-N 486.569 0.748 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835657308 KJLZOZAARNXWME-OAQYLSRUSA-N 461.544 0.410 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1835673937 BQNWNWGMFYXPCW-QHCPKHFHSA-N 454.531 0.915 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1835675527 USNDDUFYZPMFRO-HSZRJFAPSA-N 461.538 0.892 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1835677328 NSOJCQRHBOXWEY-JOCHJYFZSA-N 460.535 0.017 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835678069 XQOAUQCZDDURKJ-JTSKRJEESA-N 451.568 0.029 30 20 JCED Cc1ccc(-n2ccnn2)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835680592 MDKKCVCSWYHCFN-RUZDIDTESA-N 495.584 0.928 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1)c1cccs1 1836520793 RXEGNPJQPMZPIB-IOUFHMPJSA-N 472.523 0.812 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837046882 IWBRNBJDIJNFQI-BUVRLJJBSA-N 462.551 0.009 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1)c1ccccc1 1837362769 NEKXQSYUXZXBDH-DVECYGJZSA-N 452.511 0.516 30 20 JCED CC(C)n1nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1C(=O)O 1837440967 JKVVRGQHALDZDO-UUVZMSSXSA-N 490.561 0.704 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1837527288 KNCJSUMDLIDTHU-OBKNTDCBSA-N 450.467 0.820 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nc2nccn12 1837529957 HGRFBHULVIGRGN-OXZVPYCZSA-N 486.529 0.637 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4N=C(C)CC4=O)cc3)CCO2)C1 1838992586 ATLLWDSUJQFZJW-KBMIEXCESA-N 482.537 0.908 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)ccc1F 1839186960 AHNJOYQPKCRCEH-QHCPKHFHSA-N 474.489 0.539 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839413942 DBCCIJBPSIUMGZ-AVRDEDQJSA-N 463.487 0.944 30 20 JCED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487956 OAXMOOLTJQUIJK-JOCHJYFZSA-N 455.471 0.458 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839665829 AJDLFNRQRKHPRO-CECAUBDESA-N 464.588 0.611 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)CC4)C2)C1 1839808560 UZOHGSCBDWGOOV-DEOSSOPVSA-N 487.557 0.380 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)O)CCO2)NC(=O)OC(C)(C)C 1840030018 YFQXWGLCAALOBE-GSHUGGBRSA-N 455.552 0.683 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(Cl)c(Cl)c3)C2)C1 1840041311 DVEXDHBOQBSNNS-FQEVSTJZSA-N 471.293 0.917 30 20 JCED COc1ccc2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2c1 1840042609 DXZNJKYQEKOSLO-HSZRJFAPSA-N 453.451 0.401 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(O)cc1 1840044171 OTPAYHAMTKTRTP-DVECYGJZSA-N 454.479 0.434 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044674 QWMOBZNVXMHRLZ-VWMXVWASSA-N 491.541 0.178 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1840108159 ACKFINSSIQOJOR-DRSNIGMVSA-N 468.551 0.047 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1)c1ccc(O)cc1 1840221345 NBOMHUQTEYNLEN-NTKDMRAZSA-N 467.526 0.788 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(O)cn4)CCO3)C2)c(C#N)c1 1840497996 ITSBROPPBHFKLK-RUZDIDTESA-N 480.521 0.909 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)cc1C#N 1840763108 IBLYQRHYSQTDIZ-YADARESESA-N 470.526 0.694 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818395 ADFSJYRLCRAEDP-VGOFRKELSA-N 479.555 0.074 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)c1 1840897335 WTYWWWIFDSVOKM-OAQYLSRUSA-N 492.554 0.628 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130354 OLLSTQPCSIKHQA-MTRWVZMLSA-N 451.505 0.184 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)C(=O)N3CCOCC3)nnc12 409994581 BOLHORCTHIVDHZ-AWEZNQCLSA-N 456.528 0.686 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc(Br)c2)c1=O 502045713 VLUPUEPMSJOUQX-UHFFFAOYSA-N 497.440 0.705 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnnn2-c2ccc(O)cc2)CC1 504360513 WDUIZGRTAWAANV-UHFFFAOYSA-N 485.551 0.865 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1CCc1ccccn1 520335712 ZBPZSCOOPNZXCV-UHFFFAOYSA-N 464.547 0.822 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 523743433 XVSBNFYPMDNJFH-UHFFFAOYSA-N 482.541 0.792 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(F)cc2)c1=O 558647513 PZGIBOFMDSPGDM-UHFFFAOYSA-N 458.559 0.753 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cnn(-c4ccccc4)c3)c2=O)cn1 726180322 GQWSIGZYXUQVCA-UHFFFAOYSA-N 489.561 0.567 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2/S[C@H](CC(=O)NC3CC3)C(=O)N2CC(=O)NC2CC2)cc1 726402658 GZAYJUJYQVOMTP-UMIVRTMYSA-N 479.584 0.081 30 20 JCED COc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(N2CCN(C(C)=O)CC2)n1 727104832 GTMXYCIVTDQCPQ-UHFFFAOYSA-N 486.554 0.826 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)ccc1SC 729673042 RPAUVSNOSGLKPC-UHFFFAOYSA-N 493.632 0.467 30 20 JCED C#CCNC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 852965307 ZRJDRPSDWIXWKV-GOSISDBHSA-N 463.556 0.598 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)Nc1ccc2nc(O)[nH]c2c1 903454991 GODLWOHYHIFYGH-UHFFFAOYSA-N 456.484 0.842 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 915873348 GQKPCEUJJMRSDC-ACNSNUFOSA-N 495.583 0.603 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)ccc3C)c(=O)n2CCOC)CC1 916199688 KICOFHNGJRGNQR-UHFFFAOYSA-N 454.596 0.840 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1314011853 ZWHWLKXXFMSURU-SFHVURJKSA-N 457.560 0.861 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCCC1 1360704681 JCLCJPHJOQCHGK-SFHVURJKSA-N 487.634 0.967 30 20 JCED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCO1 1504735956 QKKYCPFWIBKVJB-SFHVURJKSA-N 464.548 0.472 30 20 JCED CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1508816223 NUEZGEAFYJAYMB-UHFFFAOYSA-N 452.563 0.799 30 20 JCED N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N2CCSCC2)cc1 1698487982 IGXJLCSJWISYRZ-GOSISDBHSA-N 473.584 0.924 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1723935991 VBJGXXIMBPWRNO-FOIQADDNSA-N 463.539 0.989 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2ccccc2)C1 1731015428 SOOAAPIXZQRKLT-RBUKOAKNSA-N 460.560 0.973 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOC(C)(C)C1 1741803542 RBFGPKSEXMOVDA-SJORKVTESA-N 469.612 0.460 30 20 JCED C[C@H]1CN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1743341067 OQUQLPYOJMBCIL-WSTZPKSXSA-N 495.650 0.850 30 20 JCED CCc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1744376801 POZMGVVMPJELTO-RBUKOAKNSA-N 460.560 0.950 30 20 JCED CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1745895909 SILGZYFVTOPENZ-UHFFFAOYSA-N 451.535 0.472 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1747443054 RKSFWTGRJOUYBP-LJQANCHMSA-N 470.559 0.858 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(S(C)(=O)=O)cc1 1760697463 ZSARAWVBISVTRJ-QAPCUYQASA-N 496.615 0.659 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1778101437 KXGZLSZAJBSSGH-YDAQHGTASA-N 471.535 0.926 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)CC2)CC1 1778321293 MALJLVCETCOYEN-AREMUKBSSA-N 470.614 0.953 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)c2C1 1778368678 LAYWOEQOPSCPJL-DEOSSOPVSA-N 484.557 0.886 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1778381795 AKSIVCRSKXCUQT-DEOSSOPVSA-N 462.510 0.954 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1778975367 GMPPZAKRZSMVLL-PXAQALGRSA-N 482.578 0.158 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016537 HWQUCBRDVSWOHH-VVFJTPQUSA-N 493.605 0.658 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1)c1ccc(O)cc1 1779094432 FWWLHNMHSAQWEB-QUURXOELSA-N 471.554 0.370 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1cccs1 1779100154 SWXGDSDKOMNGEZ-NGPKUFNOSA-N 464.544 0.837 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779358791 DJWYMPRYGWNYHD-OXPXVXEESA-N 456.609 0.653 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779954721 QBJHKJGSMWRYDZ-UKKLRFBMSA-N 458.544 0.671 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cc(=O)nc2cccnn12 1780039782 HWGDMNMNBDOMNN-UYIQNBBZSA-N 498.540 0.746 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)c(C#N)c1 1781176206 IJBXQBKXIQHDAF-DHIUTWEWSA-N 459.499 0.555 30 20 JCED CC(C)(C)OC(=O)NCC1(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCOCC1 1783557207 DKLSXTGVXOVXOH-QHCPKHFHSA-N 479.530 0.226 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783975828 NLWOYJFLGSJEBI-VLIAUNLRSA-N 492.495 0.964 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784086665 NKTKIHMLHNECBM-HRAATJIYSA-N 471.576 0.427 30 20 JCED Cc1cn(CC(=O)N2CC[C@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)c(=O)nc1O 1785351985 ZQDGROCPLOLEDT-TWKPZUECSA-N 472.523 0.588 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1785574604 NQGPSKLWRAQKLA-MBSDFSHPSA-N 459.547 0.709 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622426 JBKPKYNXUOFUCL-ZSDSOXJFSA-N 487.623 0.476 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5c4CS(=O)(=O)C5)[C@H]3C2)c1 1787152173 HKBDQCKVNSEALW-BXWFABGCSA-N 469.523 0.617 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787496411 WWQNQDLOGGGCRU-IJDRGOHWSA-N 464.592 0.240 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788109832 YDQPVIWFPJLNDV-UFYCRDLUSA-N 471.620 0.621 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1788575064 BAONOAPOCSWQTK-WOYTXXSLSA-N 455.552 0.382 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(=C/c3ccco3)NC(C)=O)[C@H]2C1 1790177265 PCHIZALCAOAAGA-VZXJJPFKSA-N 470.526 0.595 30 20 JCED COc1cc(N2CCC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]4C3)CC2)ncn1 1791260800 VCJUPKMPXOZPNQ-UBDQQSCGSA-N 463.604 1.000 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COCCO)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791378820 AOUMOTBKRPYXNI-VJANTYMQSA-N 467.563 0.541 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=S)NC)C[C@@H]21 1792256529 FEAVVKNJHRKRIR-XSLAGTTESA-N 495.646 0.367 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]21 1792267170 QIQGJRUBPFEKED-CSNNDUIRSA-N 478.590 0.947 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)N(C)C)cc1C#N 1792632845 ZWQYYTJFAQZRBB-RMFSNUHRSA-N 457.531 0.820 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1ON=C(c2ccccc2)O1 1797644635 TUHXCWBLSKGDGJ-PDPLOHQNSA-N 457.483 0.820 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOCCOC)C2 1797714104 LIHHBCZVAYEOGL-XAPVIXHLSA-N 486.606 0.235 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnncc2C(=O)O)c(C#N)c1 1798099819 MRNBRILVQXIDOF-VPTLXERWSA-N 465.466 0.501 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1)C(C)(C)S 1798352609 NZYAKMWYWFRELF-XJFOESAGSA-N 469.564 0.875 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)N2CCN(C)CC2)c(O)n1 1799179633 HCZVAXTXJTUOAD-VWNVYAMZSA-N 471.602 0.745 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1799231515 ACRFKZFXURETQD-JNIAIEOXSA-N 478.590 0.784 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)Nc2cccnc2)C3)ccc1F 1799327590 KSICNZQCTSYLSG-UPHUGPLXSA-N 451.458 0.863 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1ccccc1C(N)=O)NC(=O)OC(C)(C)C)C2 1800452274 VIPYBOMKCNKCBO-SHJAMOMRSA-N 484.553 0.444 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)C2 1800452783 ZVAJPXHQMXDOBH-KOCGSJPCSA-N 460.531 0.755 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3nccnc3CN1C(=O)OC(C)(C)C)C2 1800456002 GPTYHGZSNPCALS-BAAGSCJXSA-N 455.515 0.361 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1800823535 CPSSYOGZPCBKRC-XVAUXIKLSA-N 477.583 0.666 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1801965053 YNXMLMOTKDDOBE-WERVVEIQSA-N 478.590 0.167 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1802024484 LIGOPOGOVXNNJY-YYAJDYIMSA-N 451.520 0.446 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCN1C)C2 1802124518 DKWXFJABHAUNFC-UJMXGEILSA-N 462.591 0.977 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(C)[nH]n1)C2 1802125165 AGHFYETXFCIFSE-WQDJSCAQSA-N 459.547 0.767 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Cn2cncn2)[C@@H]1c1cccnc1 1802482369 LVIUAKHEVBXBRH-WFKGXYBCSA-N 451.531 0.874 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nccnc1C(N)=O)C2 1804376324 IWWFBUCRYPZFGH-FZKCQIBNSA-N 470.530 0.744 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810152756 HGKZNEWMIZCSRW-JXFKEZNVSA-N 455.519 0.930 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)[C@H]3c3cccnc3)c2c1 1812069134 QINSHFFSVOOBSD-AOMKIAJQSA-N 486.492 0.701 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)CC1 1812881932 GDEHIXGCBRPREP-WMZHIEFXSA-N 499.568 0.728 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1814041556 VRNFZPUYFPDXJK-RXVVDRJESA-N 483.525 0.868 30 20 JCED CN1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=N/O[C@@H]2CCCCO2)CC3)CC1 1818799842 HZNQJQSNZUEUHI-REAROLJNSA-N 464.592 0.832 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@H]3CCc4nc(NC(=O)[C@@H]5C[C@H](O)CN5)sc4C3)c2c1 1822616076 HFNPWJYTUKNOAP-MKBNYLNASA-N 451.512 0.840 30 20 JCED N=C1NCCN1CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828981567 OGRANOZGQIDRNO-AREMUKBSSA-N 492.580 0.692 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1829773491 LDVKRUYKHXQCBU-IYZQMXKPSA-N 461.490 0.246 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1830039368 VPOVTKZDQOLOMS-JOCHJYFZSA-N 462.934 0.419 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1831388253 WHGKONXKZXZIKG-HOYKHHGWSA-N 465.510 0.647 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1831392191 BZAYZTGQWPVZMV-KOSHJBKYSA-N 468.510 0.274 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1831396091 HTGMZEIRYDGAKM-QVKFZJNVSA-N 453.442 0.352 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1831434153 RGYNYEWVHXBFBE-MBSDFSHPSA-N 461.563 0.380 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)c1 1831461337 SLZLQPKCYXVBHJ-ZHRRBRCNSA-N 479.555 0.318 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831697766 MRAHCFCRALDSBB-XMMPIXPASA-N 472.542 0.556 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)CCO2 1832005333 ZBVDFECUYNEBDX-HFJQGTKSSA-N 467.563 0.784 30 20 JCED COc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1832865300 FYMMRUZVAYSKNP-HSZRJFAPSA-N 453.499 0.993 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833426677 DHPIPMAPLAOKAN-FQEVSTJZSA-N 462.591 0.857 30 20 JCED COC1(CC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CN(C(=O)OC(C)(C)C)C1 1834759906 BHLRVJUJGCURLB-JOCHJYFZSA-N 466.535 0.382 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C[C@@H](F)C1 1834760467 DVZYHBYYAFJKTP-GSHUGGBRSA-N 468.526 0.952 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@H]2C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834767040 LRZHSVNKFOCRDX-MHECFPHRSA-N 492.573 0.630 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835290365 WFHNAIUBUAMCDE-WYMZOHKPSA-N 461.515 0.705 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835435351 SMLPOBAQZIORIO-SBUREZEXSA-N 482.578 0.391 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)[C@@H](C)CC)CCO2 1835602439 QCZBRSJPFIQKBI-RGKFVRLKSA-N 480.606 0.733 30 20 JCED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)n1 1836072739 RFRNSYAYYCKJRA-QFIPXVFZSA-N 457.462 0.630 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1836215602 FQNDVCFROPPLHD-FAPUVCABSA-N 473.592 0.131 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CCO3)no1 1836320713 KOMPJABIOKDHFR-HXUWFJFHSA-N 494.430 0.976 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490403 CKCXAAVEFAYEJS-NTKDMRAZSA-N 471.558 0.432 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1837528189 AQVKLJFUNPJDBG-IWXLIXGASA-N 471.514 0.933 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)n1ccccc1=O 1837531106 CZHJSBZDIKGQQA-MQWPAIHPSA-N 476.530 0.395 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn1 1837563601 RCXYKZGBZMVBTE-AMFJNGDOSA-N 470.482 0.650 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838415015 VQGLMALATHEQLM-YCRPNKLZSA-N 462.528 0.417 30 20 JCED COc1ccc2[nH]cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)c2n1 1838488016 UZJRKKRCUPFPQI-XMMPIXPASA-N 484.557 0.923 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c1Cl 1838595905 IWFALJYLHBJLBT-JOCHJYFZSA-N 462.934 0.614 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838649316 FEDNSPOJWCPHCE-SFHVURJKSA-N 481.546 0.349 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839036408 BFDVIJIDNUJQTM-QMHKHESXSA-N 458.490 0.704 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)CCO2 1839135682 NPNHQXHBOUPMHT-QFIPXVFZSA-N 471.466 0.561 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839136123 IFNDIZSPLFTQBJ-UZUQRXQVSA-N 496.561 0.593 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cccnc3)C2)C1 1839174821 YTKWKUWCUVPPGX-JPYJTQIMSA-N 460.531 0.848 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839666932 NZAJGZOWJQHAFQ-FNZWTVRRSA-N 498.580 0.355 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](Cc3cccnc3)NC(=O)OC(C)(C)C)C2)C1 1839807030 KXSUAXRGFHHHHD-NLFFAJNJSA-N 486.569 0.997 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4cc(F)cc(F)c4)[nH]n3)C2)C1 1840041209 YJHMNFQQPQSDBI-JOCHJYFZSA-N 474.420 0.513 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc4ccc(Br)cc34)C2)C1 1840044442 IRLBTJBTJQKLPJ-FQEVSTJZSA-N 492.282 0.748 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840071871 LSKOPVHLUCFXOU-OZWPHOJSSA-N 492.573 0.507 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)NC(=O)OC(C)(C)C 1840111729 HENNPBBEZLWJIK-WAIKUNEKSA-N 496.561 0.449 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC=CC[C@H]1C(=O)OC)CCO2 1840140402 YKYJUQYRLCCVOG-ZLKYOEQOSA-N 475.542 0.057 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251646 RBHQEWFDMHWHIL-SBUREZEXSA-N 491.545 0.751 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1840715377 YZHOUOUPXRTGHS-GQOCTPOGSA-N 472.542 0.535 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1)NC(=O)OC(C)(C)C 1840795891 IHPRLIGHEUZYJI-VGSWGCGISA-N 455.552 0.949 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)C2)CCC1 1840812298 JFSDWNZERMFPKT-MRXNPFEDSA-N 451.373 0.492 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1F 1840815699 CPJQPTPWOIXFQJ-JOCHJYFZSA-N 479.530 0.993 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1F 1840815701 CPJQPTPWOIXFQJ-QFIPXVFZSA-N 479.530 0.993 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1cccn1 1840820619 ANTTWKXUORCJAD-MBSDFSHPSA-N 453.499 0.851 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOC)C2)C1 1840908993 KWTLNRHSXSRBGO-JTSKRJEESA-N 453.536 0.396 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)CNCP(=O)(O)O)C2)cc1C#N 1842875565 VTBLBVXCBSYGKX-UHFFFAOYSA-N 450.432 0.887 30 20 JCED CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843420505 WJPKPUXYKDSRMR-OAHLLOKOSA-N 451.520 0.986 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2CO[C@H](CC(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)[C@H]2C1 1846196917 CRWKIXWPHDBMMZ-OKZBNKHCSA-N 475.542 0.940 30 20 JCED CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O 11460988 ZWOZIBXNMKJDMP-UHFFFAOYSA-N 475.527 0.631 30 20 JCED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)cc1 515924230 WKHZLGPGWLFOCQ-UHFFFAOYSA-N 495.582 0.664 30 20 JCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 518073221 KRJQXYLENNSHQJ-UHFFFAOYSA-N 476.536 0.433 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 523257009 DXXCACPKXVKHSO-UHFFFAOYSA-N 480.521 0.793 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cccc(OC)c3OC)c2=O)cn1 523579770 GDTBSXAKRLAROZ-UHFFFAOYSA-N 483.550 0.398 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1cc(OC)ccc1OC 608826667 HGYRZBXPQDGYFP-UHFFFAOYSA-N 472.548 0.638 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1-c1ccc(OC)nc1 608884652 ZXBCHFBFGAAADP-UHFFFAOYSA-N 466.519 0.577 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC(N)=O 608911614 LRJCTNNEQYGFRY-UHFFFAOYSA-N 478.530 0.944 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)cc1 608912897 IQPRWMKPMCTITC-UHFFFAOYSA-N 490.607 0.029 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 728532855 MJOCCLOXNMPACA-UHFFFAOYSA-N 460.332 0.443 30 20 JCED C[C@H](OC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 748410289 SOJDIBSYLMTEPV-GOEBONIOSA-N 456.542 0.955 30 20 JCED CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)C1 913174163 XTKRZCSVLUJZRB-HOCLYGCPSA-N 451.501 0.570 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCOC 916198256 IGEMSDLZFPCULN-UHFFFAOYSA-N 453.467 0.423 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)c1 918616497 PINWMGYQILCUKV-LTGZKZEYSA-N 454.534 0.150 30 20 JCED N#Cc1cnn(-c2ccc(C(=O)OCC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)cc2)c1N 919548910 DICJCFDGOUWROC-RBUKOAKNSA-N 487.538 0.678 30 20 JCED CCCS(=O)(=O)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 920629409 WJDHYKFFZAQCLY-UHFFFAOYSA-N 450.473 0.823 30 20 JCED COCCN1C[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1301855954 JACJCGHMBYGTHA-HOTGVXAUSA-N 454.491 0.149 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1315072668 RSTGTEUPILIJAH-OALUTQOASA-N 476.559 0.662 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)C)CC1 1359402108 OEXJGTKJGDLELZ-UHFFFAOYSA-N 482.589 0.854 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC[C@@](F)(C#N)C3)CC2)cc1 1447744473 MOOGNCUELRTZJC-HXUWFJFHSA-N 452.508 0.772 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 1503476856 PUXGMSYJAUGGAT-WIYYLYMNSA-N 476.559 0.270 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)c1 1504131927 OZUALIVRCSYROJ-KRWDZBQOSA-N 450.521 0.582 30 20 JCED COC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1504578787 JWBIAEJEQVQDGC-AEFFLSMTSA-N 477.591 0.748 30 20 JCED CC(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1509730078 ZIQVHDYRCWSEEV-UHFFFAOYSA-N 465.562 0.908 30 20 JCED C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCS1(=O)=O 1509952829 PHCUSPPKCQIADO-INIZCTEOSA-N 495.631 0.969 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCS(=O)(=O)C1 1517039898 VNNBEZZNYMBLGQ-FUHWJXTLSA-N 478.600 0.722 30 20 JCED CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1545535581 KPUXPCBAJPWPHR-IIBYNOLFSA-N 459.576 0.934 30 20 JCED CC[S@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1617445051 WSCPLTMKBYZRPI-KXSVPLAASA-N 471.591 0.546 30 20 JCED CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1618359307 UZTNIWHCTBDTHH-KRWDZBQOSA-N 496.615 0.491 30 20 JCED Cc1csc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)n1 1693330621 PWPUFCYQRZIWPG-DYVFJYSZSA-N 455.541 0.866 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)C1 1705975243 RADLSTOWUYZMMN-BPQIPLTHSA-N 467.596 0.465 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1731189868 NOQWCGVIXFXXQT-RRFJBIMHSA-N 478.497 0.172 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CCO1 1750025148 QPHJYSJBKJJFAU-SIKLNZKXSA-N 472.571 0.938 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778275974 MGFIXEAYPHOMGL-LFAGZIFBSA-N 455.555 0.756 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1)[C@@H]1SC(=N)NC1=O 1779422340 DCJNOYVBLUIBAM-ONWWCGCMSA-N 495.602 0.832 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1781112276 PPMLJJUCMBMJHZ-NXMSCROESA-N 493.605 0.326 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2)C1 1781597925 KTAKIXJWQGRATN-GOSISDBHSA-N 466.244 0.889 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1782009600 QANPCSXWLWBFGU-KBMIEXCESA-N 481.505 0.204 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c([N+](=O)[O-])c1 1782013776 IXFDGJRTIWQHTM-XMSQKQJNSA-N 459.455 0.748 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cc2C1 1782560783 BKHRWBBMNZHZEV-QHCPKHFHSA-N 457.579 0.444 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1784043462 UIXMHZARJLHKIG-XFAGBWLFSA-N 476.574 0.908 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)C[C@@H]21 1784482869 HUCXLCMOQGJBCW-PWIGDYEPSA-N 486.569 0.640 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C[C@@H]21 1784484974 GDPNEGNEECGHNK-DNUAJFIVSA-N 459.455 0.955 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785784414 XZTSOYLMGCVGIH-JKBKZWBZSA-N 483.569 0.040 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)n4)[C@H]3C2)c1 1787436754 DZXYNAHLFKWCDQ-LNLFQRSKSA-N 451.483 0.986 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]2C1 1787529695 QWMMUFKHUAEAIN-VJANTYMQSA-N 478.590 0.655 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1788574630 GWGDSPOEJFISHT-XDKFSHSGSA-N 455.511 0.988 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1789955646 MWODOCAKTORZFC-OWSLCNJRSA-N 458.581 0.193 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790860297 UOFVMVFWMSDRJQ-VMXHOPILSA-N 478.590 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)OC(C)(C)C 1792760688 STOFDJKYWPMTJX-POKMRBBBSA-N 450.536 0.348 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C 1793387881 SSWFYTBRZOHPTP-SQDXWYPISA-N 487.619 0.987 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794228655 TXUJZZYKWXGRBM-ZMMAXQRCSA-N 474.562 0.715 30 20 JCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)n(-c2cccc(=O)n2C)n1 1795933445 NMEREWXNVKYBKG-OPMZPASUSA-N 495.584 0.365 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1796446320 NZACSUWFGQMBNF-RKVKPCMGSA-N 452.496 0.828 30 20 JCED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)n(-c2cccc(=O)n2C)n1 1797741029 RWOCIYCWPASKSW-LPVZQFDLSA-N 495.584 0.554 30 20 JCED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC#C[Si](C)(C)C)C2 1797967434 AWISMTJOPHKMGB-JTJHWIPRSA-N 451.640 0.778 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C 1799250072 ZHZIZCNGYUTUAV-IPLXSBJHSA-N 495.573 0.461 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)c1 1799324790 ZCUVYXUUGJAIDQ-OPMZPASUSA-N 486.525 0.942 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)C=CC2=O)C3)cc(C(F)(F)F)c1 1799787636 LQUKUXWLRMZPDH-YVWYUNDQSA-N 476.411 0.705 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1800984593 ABGLXGFBSHNEPQ-SDNRWEOFSA-N 450.302 0.536 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1800990526 RGBVAZYJXMHKFJ-VYCZESIESA-N 483.612 0.229 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cncnc1)C2 1802124529 DYQQUAITVPVHCL-AJYBTWMASA-N 457.531 0.525 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)NC=O)C2 1802282447 HZWZNEVVMWZLIC-SFFUCWETSA-N 495.577 0.565 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCN2CCN(C)CC2)[C@@H]1c1cccnc1 1802481247 HRACQBYSILHKQF-NRKRDLSISA-N 468.602 0.583 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCN2CCOCC2)[C@H]1c1cccnc1 1806951451 VBATUTDRLACANV-ZOAVUELLSA-N 455.559 0.668 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C2(N3CCN(C)CC3)CC2)[C@@H]1c1cccnc1 1807927778 SGMZDKFYUBCBJS-ALMZPBQYSA-N 480.613 0.726 30 20 JCED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1)C(=O)O 1810328144 VRQVFNLICGFVTH-KNKQGSTJSA-N 456.543 0.849 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811192606 WIOXUPMBEPRSSR-UZLBHIALSA-N 466.498 0.800 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814979005 AGIPXUCAZRSTJI-XHDPSFHLSA-N 452.537 0.401 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818896945 PCYPGAGSYMOFSY-MRXNPFEDSA-N 477.587 0.729 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1819709900 QORLYTZRGLRZPF-MEDUHNTESA-N 458.544 0.882 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cc(C)c(O)nc1=O)CC2 1819722455 QYFOPTHBHYCAJA-DOMZBBRYSA-N 461.544 0.899 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1828287179 YRHJNIALNGOSIJ-UGQVUOCMSA-N 477.587 0.695 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1828807931 ZIQHETQDTKVZLX-JOCHJYFZSA-N 452.471 0.228 30 20 JCED CC[C@H](C)[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828976148 MPVFUFNWCCKWOT-PZGSVQSZSA-N 484.553 0.900 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC#N)C2)C1 1829138104 RZQLEUZTHMNGHS-PXDATVDWSA-N 499.568 0.893 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cc3cnc[nH]3)C2)C1 1829332622 SEQUWHXIGITDGL-DEOSSOPVSA-N 479.493 0.492 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1829771297 QAAFQMZFIJXIFC-UOUGDEPUSA-N 469.538 0.479 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3onc4ccccc34)C2)C1 1829771300 QCPFUOJYDHQFJO-XBKFQHLESA-N 454.483 0.756 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1829787155 MWOUNXSKIDPLJK-YKSBVNFPSA-N 475.590 0.906 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)CCO2 1829846348 RXHBZHGRIGGTPF-ZEQRLZLVSA-N 490.557 0.622 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)cc1 1829902718 ZDKZRAWZFHYKHQ-DEOSSOPVSA-N 456.543 0.279 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CC3)C2)C1 1831394061 UOQGJMOXRPCNLG-KDLAUNOPSA-N 479.574 0.784 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1831402764 QXLNNMRZOXVZKZ-VGOFRKELSA-N 453.536 0.396 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832043748 BZMWFYPLMLBGOV-IIRYRQSKSA-N 492.573 0.311 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833556659 MSXFWZBQWJZGPO-BLINCGSOSA-N 456.883 0.927 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833618216 ZVWUJBBRGMZVTK-MBSDFSHPSA-N 453.499 0.376 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)c1ccccc1 1835339888 XGSQAKLZDBXWGO-JPYJTQIMSA-N 456.499 0.844 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1835677897 ZRDWUEHDZRTYOM-JOCHJYFZSA-N 456.503 0.575 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835780059 JXHJRCCHUBSGTL-RXULLKCLSA-N 463.535 0.335 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C(=O)OC(C)(C)C)C3)CCO2 1836255751 SABVWHVKOOLZCD-DEOSSOPVSA-N 487.557 0.727 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)cc1C#N 1836354523 IJXSZGOCTKLQLQ-QFIPXVFZSA-N 454.487 0.847 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cn4cccnc4n2)CCO3)c1 1836893342 NBGPQUJVTLJXMS-XMMPIXPASA-N 476.493 0.993 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837375919 TYYHAQHIZUTTKG-UUOWRZLLSA-N 471.558 0.655 30 20 JCED O=C1Cc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)ccc2N1 1837443770 IYPOLVDPQZYTKZ-FYWXSZBBSA-N 469.542 0.723 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1837446341 ISZXLRKINUWTMF-SXFMOBQTSA-N 484.601 0.312 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1837447986 ZMAWXVVMFHZRSQ-WBMRLQDFSA-N 458.563 0.443 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837481248 FBWYDRJBRVBYQA-CYBYPBRWSA-N 459.551 0.205 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837647274 JJMCDONVQKEHCK-AOMKIAJQSA-N 456.478 0.695 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(C(F)(F)F)cc1Cl)CCO2 1838170588 QMQFOIOGKSUJKY-GOSISDBHSA-N 475.807 0.912 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838366712 VVIWTLYYPAGFQJ-GAJHUEQPSA-N 491.545 0.722 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838568303 BZNMRAWBQBVIDW-KOSHJBKYSA-N 491.541 0.707 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cnc4c(c3)CCNCC4)CC2)CC1 1838729697 PBAGCLYDCOEGLA-UHFFFAOYSA-N 454.527 0.470 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(c4ccccn4)CC3)CCO2)C1 1839051135 VDGDEBXLFUSONH-NBGIEHNGSA-N 470.570 0.793 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839083903 KOZSUSVFOQXMRB-JXQFQVJHSA-N 477.558 0.353 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1839108268 DYZAGCJPEQLDIP-PLOUGOBLSA-N 497.589 0.262 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)Cc5ccc(OC)cc5C#N)CCO4)C3)(C1)C2 1839132591 KYVVTMQEQJDZKU-WNMGUVTHSA-N 497.548 0.909 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](F)CN1C(=O)OCc1ccccc1)CCO2 1839221358 QFOWWTQKGVDZMZ-SKPFHBQLSA-N 473.501 0.825 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCO2)C1)n1cnnn1 1839443579 PKADDWSEDQIMCP-XOBRGWDASA-N 493.446 0.895 30 20 JCED Cn1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn1 1839487883 KDNMYUXRKYXLLH-DEOSSOPVSA-N 477.525 0.871 30 20 JCED CC(C)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488027 SFYRYINDRSKAON-QHCPKHFHSA-N 454.531 0.893 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)c1 1839652058 MBOIDMQITGZZPE-HSZRJFAPSA-N 469.473 0.896 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839654011 CEASZDKCBFFACE-LYSGITKLSA-N 480.612 0.427 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCOc3ccccc3Br)C2)C1 1840044096 KXLALLUKWXPJJS-NRFANRHFSA-N 495.326 0.762 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1840157905 DOIPUAOIROMVDX-OYHNWAKOSA-N 461.540 0.447 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1840218450 GWFHBXCUIAFBHP-DHIUTWEWSA-N 480.562 0.364 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840228837 OPSHRDUCNPTBLL-YTZAWJCFSA-N 494.589 0.438 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1840384640 FAZNVSBXZPZRSM-HCQBAUJFSA-N 463.535 0.649 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840795335 BOXSSYXOVLFQSJ-YADARESESA-N 496.605 0.829 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1840840590 WXBZEVSJRCCGOS-FDDCHVKYSA-N 459.568 0.966 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCOC)C2)C1 1840906553 FGUGTGCKUNWQLA-FDDCHVKYSA-N 467.563 0.786 30 20 JCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 1846372042 BPYOUTZCEQVDQI-DFFLPILJSA-N 466.604 0.881 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1 16230882 RMWHLLYQDLEKDD-UHFFFAOYSA-N 477.564 0.753 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(CC(F)(F)F)CC2)CC1 23053698 LQFNTCYQDLTHBK-UHFFFAOYSA-N 459.494 0.571 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 26820713 UXKVDICQBHFUMQ-UHFFFAOYSA-N 468.451 0.847 30 20 JCED N#Cc1c(CCCNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)nn(-c2ccccc2)c1N 33023896 CKGQJXQVYIMDCD-RDJZCZTQSA-N 470.555 0.411 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C)n3)c(=O)n2C2CCN(C)CC2)CC1 513029138 INFVJRSDYGTMNI-UHFFFAOYSA-N 486.667 0.609 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 516103009 BIICCWAMDMLRRF-UHFFFAOYSA-N 458.496 0.963 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O 522721147 JYFYQRRYRPXBTH-AWEZNQCLSA-N 450.517 0.871 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1cnn(CC)c1 523858672 WTQBLJTUEMKYHY-UHFFFAOYSA-N 450.480 0.829 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 524164606 KQNSPLFEHXLEGS-UHFFFAOYSA-N 458.496 0.881 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(S(=O)(=O)N(C)C)c1 603787211 LQNZDHJQJHYSLT-UHFFFAOYSA-N 495.586 0.350 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 603795013 JBTLFEHVEYCQSK-UHFFFAOYSA-N 499.593 0.912 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 604434323 NTZDVLWPDGZDFL-UHFFFAOYSA-N 484.490 0.286 30 20 JCED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(F)c2)c1=O 608911593 BQICAUCCWRRDAO-UHFFFAOYSA-N 472.586 0.999 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(N)=O 608912254 QPQCMZTUGAHSSC-UHFFFAOYSA-N 453.351 0.977 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)c1 618433625 NCKFLEYSPPHVIC-UHFFFAOYSA-N 457.552 0.751 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(OC)nc1 726962722 ZJLKHMHLSPJBSM-OAHLLOKOSA-N 496.593 0.908 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccnc1 727814189 NWKQLRUBGSEZRD-UHFFFAOYSA-N 466.567 0.327 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCS(C)(=O)=O 729671610 QPLSGGFNCJMZDF-UHFFFAOYSA-N 453.492 0.038 30 20 JCED Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCS(C)(=O)=O)c1C 729672979 QELJQHWJECXJKM-UHFFFAOYSA-N 470.576 0.691 30 20 JCED CCc1ccccc1NC(=O)CNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 749274639 KOAOUIUHBOPYGT-UHFFFAOYSA-N 458.496 0.697 30 20 JCED CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 877877223 SZWJOGBZHZFQOX-DOTOQJQBSA-N 471.557 0.363 30 20 JCED CCOC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314052685 KKGRBFVSXFMPJQ-QZTJIDSGSA-N 481.623 0.603 30 20 JCED COCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1315849907 YVJJIHCZKRADEU-JXFKEZNVSA-N 486.570 0.496 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 1450120483 RXUWXVUMDHYRCL-ZBFHGGJFSA-N 456.590 0.776 30 20 JCED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1559637760 ZGYHPXRYZRRWAM-KBAYOESNSA-N 452.602 0.964 30 20 JCED CN(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617713900 WETQNVZOAQLWSI-UHFFFAOYSA-N 481.586 0.749 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1705755167 NHEVXSQHGLNSRF-KGLIPLIRSA-N 470.017 0.623 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CCO1 1706049729 VATLFIAZFGHKIA-LAUBAEHRSA-N 453.547 0.879 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1712711362 KLYBZAVORPLYLZ-UHFFFAOYSA-N 480.554 0.723 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCOC(C)(C)C2)CC1 1724010584 QVZFNPPLGMDZNS-GOSISDBHSA-N 495.650 0.852 30 20 JCED CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1765850487 OATXDCGCTPXXSS-WOJBJXKFSA-N 453.565 0.610 30 20 JCED Cn1c(=O)c(C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nc2ccccc21 1777887368 AQVSTEYNWSAEEF-SFFGGSCWSA-N 466.542 0.849 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1779021115 FUJGZZSRVAJLFD-UJBXUPAJSA-N 454.575 0.685 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021814 RINFSECJEKWHLY-ZNAWXXFOSA-N 494.593 0.057 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(C)=O)CC1)C2 1779336922 ZAGFYCUHZUVYPG-YOSAUDMPSA-N 464.607 0.238 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCO)C1 1780761807 PCYHHQFPCBCQFC-YZZKKUAISA-N 469.579 0.979 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCC[C@@H]3NC(=O)OCc3ccccc3)C2)C1 1780963911 LJGUCPPKAROORL-ZYLNGJIFSA-N 483.521 0.999 30 20 JCED CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)ccc2F)C1)C(=O)C(=O)O 1781104944 YQPJBNISVKCTRO-VGOFRKELSA-N 460.462 0.368 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781148684 JIFUVMRFXTVOCV-BXKMTCNYSA-N 491.589 0.882 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781296485 YMSPCVWFEQEZGI-BTYIYWSLSA-N 466.535 0.398 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)COCCO)CCO3)C2)ccc1Br 1781904071 YOYJERDDXLOZFX-LJQANCHMSA-N 452.305 0.773 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)=NO2)C1 1783429625 PNIHSFYWXWMKKG-FGZHOGPDSA-N 461.519 0.886 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783452902 RRVNILYYDONSBR-MZNJEOGPSA-N 491.541 0.178 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1783600666 LULWJHISDVYLFY-OYHNWAKOSA-N 466.535 0.822 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1784442412 FDJJSRUYDRHVRL-ARAOFZBYSA-N 454.549 0.006 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1785561384 QQMRZEQVCGGQMR-XXXZYALBSA-N 454.527 0.413 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(n3)NC(=O)CC4)[C@H]2C1 1787267305 CWOZDETZIYNEET-LNLFQRSKSA-N 468.558 0.841 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1788659456 NWGPAGKDDQAATP-JEUIJMJCSA-N 450.452 0.440 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21 1788772453 ANFKCDGNRFXYRE-FIRPJDEBSA-N 458.515 0.311 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906771 JBXJPZBKUYPVGJ-YRLHULLVSA-N 460.506 0.371 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1792887361 ROJKPXZPPJREFB-RDGPPVDQSA-N 458.515 0.647 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(Cc2cccs2)C1 1793972809 BXTMGUGJGXZHSF-DKLJTFSYSA-N 459.568 0.725 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1-c1cccc(=O)n1C 1795933632 HGXIALHWPWSURN-QSNWEANLSA-N 484.557 0.884 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994420 JKGHJCBTXQIBQU-UOHMRFDXSA-N 485.419 0.240 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994437 KZBIXCSRUCFRFP-JLUCKKNBSA-N 468.436 0.622 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O)c1ccc(O)cc1 1796324024 MERORMAYLIXOJW-IEATVEBOSA-N 456.543 0.926 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1)N1CCN(C)CC1 1796446781 DEWCHABWTKRAHO-UPKOEFQTSA-N 460.600 0.713 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2 1797709964 CUGDZJUNTKXVON-RZFLPCETSA-N 469.579 0.689 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1797711622 ZQJSRPJUDVTGPZ-QXGSTGNESA-N 454.527 0.710 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)C=C 1797945966 CLWAVGOFXXMVKE-RFBJODPTSA-N 490.601 0.964 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798565248 LEZWQTZHXNYFIO-XEMDLRDOSA-N 472.542 0.321 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(N)=O)C3)N(C(=O)OC(C)(C)C)C1 1801103533 RVWLLPMPCPKROA-RCJHGTSTSA-N 450.536 0.407 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1801991853 AJRJMUZASSOUOK-CWPLJXCYSA-N 450.451 0.964 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1801992354 HBQYSJKTXVPPSL-HPNQWNLUSA-N 455.540 0.553 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](N)c1cccnc1)C2 1802127425 OXCWMRMHEOQSFL-YWQQVWADSA-N 485.585 0.978 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)/C=C\C(=O)NCC=C)[C@H]1c1cccnc1 1802476657 LWVFFHCCQUPSIE-CYECBQHJSA-N 451.527 0.804 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CSCC(=O)OC)[C@@H]1c1cccnc1 1802478306 RYIYRFFCACIFNZ-GUEKAFECSA-N 460.556 0.852 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1804373435 NCAFEXSQFRWPRT-QKPAOTATSA-N 461.519 0.093 30 20 JCED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1806617189 FCKFHRUQMDVFKV-UGKGYDQZSA-N 456.439 0.864 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807145290 IUNPAINCFFWIMG-APWZRJJASA-N 477.529 0.414 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1 1812875059 QPXRXOAXMTZWRD-YWZLYKJASA-N 456.480 0.288 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1814060124 MTXJIYYJXCFYBR-MBSDFSHPSA-N 476.493 0.590 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(=O)c2cc(C)on2)n[nH]1 1819464848 KZVDNWMKNDXJCX-QWPQOLDESA-N 469.502 0.987 30 20 JCED COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1820190427 CPTHTDHGGYCKFH-NJSYOOGUSA-N 450.565 0.678 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821032504 MORBCYXTECXWHF-GZTOBOFZSA-N 455.500 0.116 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822204975 FLSOWULTVAMRND-BMFZPTHFSA-N 475.502 0.860 30 20 JCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1)C(F)(F)F 1828524534 ADOSRONQHYWWLC-FQEVSTJZSA-N 471.432 0.868 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1828803454 QAYDFYGGALIWFI-NTKDMRAZSA-N 467.526 0.878 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCN2C(=O)OCc1ccccc1 1829322537 PPURVQMVBZEXNR-CYFREDJKSA-N 469.494 0.706 30 20 JCED CN1CCC(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)CC1 1829330972 VPACVPCUQHQZFD-SANMLTNESA-N 496.564 0.868 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2 1829626377 DFFODRHGHZWMKV-IQMJAMCRSA-N 466.538 0.806 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)cc1 1829627330 CMNHGFHQACJNAE-VWLOTQADSA-N 480.521 0.262 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1829771074 DENLQFFALZUGLF-BNOLWBGWSA-N 474.470 0.229 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829896676 VUGWEXZZBIDGOC-NLFFAJNJSA-N 492.617 0.701 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830677551 GIJSTZYUOQGSNT-VZNOKATJSA-N 485.581 0.889 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1830886254 TXOKHQPJZXCOLA-FOIQADDNSA-N 495.495 0.837 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CCN4CCCC4)nc3)C2)C1 1831391938 GYVUBVRRZZBARI-LVXARBLLSA-N 484.597 0.828 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832078816 ODZLYIBDDGQYCC-UZUQRXQVSA-N 479.530 0.320 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832424468 ZDGRROHHLUQSFA-VWMKTKPBSA-N 480.562 0.374 30 20 JCED O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccc[nH]1 1832878747 IWSMOLPTWORYIA-NATWXUTRSA-N 491.545 0.120 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOCC3)CC2)CC1 1834638377 DQJDKKCOXINRIT-UHFFFAOYSA-N 464.607 0.790 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)c5ccccc5C4=O)C3)C2)CC1 1835340937 JCVYWFWPOYQMSI-XMMPIXPASA-N 466.494 0.433 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1835354880 IZEIDVGLUHWNKR-HTAPYJJXSA-N 460.556 0.857 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)COCc3ccccc3)CCO2)C1 1835367320 JQDZKYNAPCRAIV-XMMPIXPASA-N 458.559 0.941 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=S)NCC)CC2)CC1 1835717731 IGVYSZIKHSEBAB-SFHVURJKSA-N 453.653 0.615 30 20 JCED CCn1c(-n2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cc2C)cccc1=O 1836259400 ADKLPFFAZLYPHO-SANMLTNESA-N 493.564 0.846 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837168951 CLAOQODJTJUGDZ-DEOSSOPVSA-N 467.526 0.498 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1837396413 CWKOEKPEWUNTLZ-UZUQRXQVSA-N 469.579 0.883 30 20 JCED COc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc1C 1837527694 SZRABNKGCFGRNJ-LDVHSUHUSA-N 476.530 0.998 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565307 RUGCUURMDCBHOG-CHTLSXEVSA-N 483.525 0.368 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)N1CSCSC1 1837570681 WELCHNMIXIXIRR-DYESRHJHSA-N 485.676 0.768 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)NCc1ccco1 1837636637 DKNOELAFANEGAH-WOKXFPNESA-N 477.517 0.960 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc([N+](=O)[O-])c5c4OCO5)CCO3)C2)CC1 1838628170 YMPXBTJNLNKINU-OAQYLSRUSA-N 458.427 0.697 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)cc1 1838949904 CGXFGQOZAWISSV-HSZRJFAPSA-N 452.467 0.651 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)NC=O)CCO3)cc1C#N 1839165168 BDAKDIONIDDTCK-GAJHUEQPSA-N 458.515 0.550 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1 1839185071 MEQFBEPJMBFUAS-HTAPYJJXSA-N 453.536 0.891 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839238147 WANPWBFWMUKUAP-FDDCHVKYSA-N 490.561 0.300 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486498 XZNUYNKGGWGIMA-DEOSSOPVSA-N 482.541 0.667 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C1)CCC2 1839582628 JLOKDFDGUDJKEZ-RUZDIDTESA-N 470.570 0.677 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)CCO2 1839632507 DAXXQWCWXQAZLW-OAQYLSRUSA-N 473.463 0.968 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839692492 ZZMNFUGQPOBXNA-QHCPKHFHSA-N 460.600 0.759 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CNCC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1839807243 XHMUDJFHOQJAPP-XMMPIXPASA-N 478.590 0.313 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)c(OCc4ccccc4)c[nH]3)C2)C1 1840040830 ADWBYFROSZYZDG-VWLOTQADSA-N 495.488 0.112 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1)c1ccc(O)cc1 1840220641 WPCQLULLXIIBSX-CJFMBICVSA-N 485.537 0.798 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cc1ccccn1)CCO2 1840330670 LTKUZLQHJOPQNS-AMQNAFGZSA-N 456.543 0.575 30 20 JCED CC(C)(C)OC(=O)N[C@@H](COc1ccccc1N)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1844210379 VWTSMMNRDHMPAQ-KRWDZBQOSA-N 486.525 0.832 30 20 JCED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1)NC(=O)OC(C)(C)C 1844298463 SHHBHDXHGZPYBM-HKUYNNGSSA-N 466.579 0.700 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(C)=O)C1 1846004567 NVRXJUPCSHGDDN-DOTOQJQBSA-N 495.577 0.520 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC(=O)NC2=O)ccc1Br 1848068710 OLEATQSSPBDJRK-GJZGRUSLSA-N 460.288 0.688 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCS(=O)(=O)N3CCOCC3)nnc12 109627464 ZZVKDLFAZUAFDL-UHFFFAOYSA-N 492.583 0.101 30 20 JCED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCCc3[nH]nc(N)c3C#N)c2)CC1 480860635 PAJDQMAIDSPCFA-UHFFFAOYSA-N 460.564 0.944 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 514461117 XADYWIUWWFQKLZ-UHFFFAOYSA-N 488.570 0.829 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc3c(c2)CCC3)CC1 516826509 RNFANUQGXCNPMV-UHFFFAOYSA-N 488.617 0.788 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 521527502 ZHIOHWDOPXZDIN-UHFFFAOYSA-N 482.606 0.595 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CC(=O)N(C)C 604270473 QYXKLGBIAJKQLM-UHFFFAOYSA-N 462.959 0.689 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 728536173 NDUFHQVEBQOKNA-GOSISDBHSA-N 459.572 0.033 30 20 JCED Cc1cc(C)n2nc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2n1 748175066 NDRPWKWXBXZVIN-UHFFFAOYSA-N 483.510 0.303 30 20 JCED CC(=O)N1CCN(C(=O)[C@@H](OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C(C)C)CC1 877876757 BFBRBSFPVFKZJS-IBGZPJMESA-N 464.544 0.751 30 20 JCED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 912685778 YJUOKXKJWCIMFQ-HNNXBMFYSA-N 462.509 0.605 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(CCNS(C)(=O)=O)cc3)CC2)o1 915382557 YXEYWHAZTTZKLH-UHFFFAOYSA-N 475.527 0.452 30 20 JCED CCN1CCN(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C(=O)C1=O 919147411 NBHKSMHWHCUMEV-MRXNPFEDSA-N 485.541 0.590 30 20 JCED CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1302448904 JHIMNZCMRDUFJA-FUHWJXTLSA-N 479.584 0.787 30 20 JCED CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1315050070 RSIKOUASLCKSII-GOSISDBHSA-N 460.560 0.841 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1504874760 WGYKTDHZIPEIGF-GOSISDBHSA-N 481.600 0.749 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccn(C)n2)c1 1617705999 JECNEHCDWLEGAG-QGZVFWFLSA-N 456.532 0.706 30 20 JCED CN1CC[C@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)C1 1618466189 KVRLJAXILDDBSK-DENIHFKCSA-N 489.602 0.186 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1620176755 JZTBSTCNSKJEOK-HNNXBMFYSA-N 485.492 0.871 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1692788191 YSWANICIUQOVFS-DKZVUGQWSA-N 491.593 0.945 30 20 JCED CC(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706497380 JMVRQDVMGQFUND-SFHVURJKSA-N 474.591 0.860 30 20 JCED CC(C)N(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723525812 KBDSJXXEPGNHLN-PMACEKPBSA-N 494.666 0.518 30 20 JCED CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1723634644 OMGORSZXFGPVED-UHFFFAOYSA-N 482.589 0.854 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1766944543 JGMGGPFXWCSURJ-LJQANCHMSA-N 473.603 0.867 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1=O 1769923991 ZIENASHUAFGGBE-UHFFFAOYSA-N 465.518 0.693 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779072808 MOMJSBZBHJGKRT-OFNKIYASSA-N 475.473 0.565 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779424019 NMFMLQZHCNANHZ-AGKLJQPESA-N 498.577 0.872 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO3)c1 1780167283 NFGKZUKAKIVAHW-DVECYGJZSA-N 488.541 0.896 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1780912889 INZYHLDUUGLFCQ-BEOFEIHASA-N 472.517 0.691 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780923621 DGSGHDFHBWIBFS-CMJOXMDJSA-N 490.582 0.262 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1781290692 IWXJSAKAGPVOPO-KSFYIVLOSA-N 452.552 0.764 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)C2)C1 1783020687 XZQHNSNRJJBPKS-WZONZLPQSA-N 462.568 0.891 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3nnn(CC)c31)CCO2 1783047377 ATKXZZGWVQAKFZ-WAIKUNEKSA-N 472.546 0.595 30 20 JCED COc1ccc([C@@H](O)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)cc1 1783770853 UWZUBVAEDLVAKD-ZIBCJSCZSA-N 458.559 0.990 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788109238 DTQIEIQATYSQRW-XLAORIBOSA-N 461.650 0.592 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1788636978 BLPPUHRGKQZDMR-MLCQCVOFSA-N 485.537 0.965 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)C=C)[C@H]2C1 1788758501 CJXUJFCKNPCKNF-VMXHOPILSA-N 476.574 0.573 30 20 JCED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790328332 PTHJUQLAVIQVJG-ZVZYQTTQSA-N 459.528 0.463 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C2 1792490431 VLWOGFAYCQXTES-AXOBIWJESA-N 476.574 0.834 30 20 JCED CC(C)n1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cc1C(=O)O 1794433216 CYOBFLIHCGHQDS-JLVBRIDZSA-N 460.535 0.647 30 20 JCED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2)[C@H]1SC(=N)NC1=O 1796881336 TVSGPJNJSNBTJU-PUMOMMDRSA-N 451.549 0.956 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc([C@H](C)C#N)c2)C3)CC1 1797305783 GRXLIFALPULYOC-RSZNVJGZSA-N 467.570 0.681 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1797714119 MDQQTILONVTXCZ-OREBXVKISA-N 469.579 0.425 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2)NC(=O)OC(C)(C)C 1801932016 GVDXQPUGIWKEBE-WNSDDWSPSA-N 464.563 0.572 30 20 JCED COCCOCCOCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2 1802097457 DEDHSQFVPNSKDK-ACDBMABISA-N 468.595 0.603 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1802481603 KTEKGKLRLMJTBH-FQPQFMITSA-N 477.525 0.200 30 20 JCED CC(C)n1nc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1C(=O)O 1805065045 VDACRKWDCCWYNH-YWZLYKJASA-N 453.455 0.965 30 20 JCED N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2c2cccnc2)CC1 1806849657 DLLPMIFJIWTFRO-KDOFPFPSSA-N 454.512 0.856 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1809665414 OZKSOSUFLZKIDT-JMUQELJHSA-N 455.559 0.290 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810328567 KCAWSTOWWRUXIE-QNWVGRARSA-N 470.570 0.937 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cn3[nH]cnc(=O)c3c2C)[C@H]1c1cccnc1 1811305796 WPTUADWHCDIWRA-AWWPTUBISA-N 489.536 0.904 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)ccc1F 1812716655 CXNHHTPFNHPNRD-CJFMBICVSA-N 483.544 0.627 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)[C@@H](O)N3CCOCC3)CC4)c2c1 1823891742 HWOHRQGWGYKWQR-YEJXKQKISA-N 481.538 0.767 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828572114 JJLSETFLHFHYJZ-RLWLMLJZSA-N 495.580 0.445 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1828581160 ZUNGLINIWHLXSP-NYUJMHJJSA-N 496.564 0.755 30 20 JCED CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1)C(=O)C(=O)O 1828978838 OOEPGOFXSOMHFY-MQKWGWFZSA-N 466.535 0.678 30 20 JCED CC1(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)COC1 1829330252 DPKAKJSGZNGWFB-XMMPIXPASA-N 469.494 0.563 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cnc[nH]3)C2)C1 1829332527 PZYARKQXQYTDAZ-HSZRJFAPSA-N 465.466 0.563 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829472163 URDNQOFTJVQHEL-QHCPKHFHSA-N 470.530 0.657 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)CCO2)C1 1829638341 YNRZPHAKUMJVDI-KYTVRQNUSA-N 499.564 0.543 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1829755410 DIBZWJDLEYZQPY-OAQYLSRUSA-N 472.527 0.844 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1830573605 MQXXDGJWCPIJMD-FDDCHVKYSA-N 467.563 0.522 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830591665 HBBLYDUUDGLQMS-GCVDANKBSA-N 479.574 0.683 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCOC2=O)CCO3)ccc1F 1831019941 IJWPHIHJVCPEGA-JOCHJYFZSA-N 460.462 0.148 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CC3)C2)C1 1831394064 UOQGJMOXRPCNLG-YIGJPRQDSA-N 479.574 0.784 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1831397544 ZVXBVKWLAJFZMW-IIBYNOLFSA-N 451.907 0.609 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1831406901 LQJFYXABAXKLBQ-QHCPKHFHSA-N 461.515 0.921 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)c(C#N)c1 1832800194 LODFBYVYRYKMTC-HSZRJFAPSA-N 498.496 0.371 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc(C(C)=O)[nH]n3)CC2)CC1 1833074047 ZMQZUVVLCNUWQN-PLNGDYQASA-N 456.547 0.656 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnn2C)CCO3)c(C#N)c1 1834235774 XAXJFDPFZDSZRN-HSZRJFAPSA-N 453.499 0.613 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1 1835184076 FPLXEUFMJSSTFN-QHCPKHFHSA-N 475.567 0.919 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1835247185 KIRJVQXARQCGJA-JPYJTQIMSA-N 483.562 0.022 30 20 JCED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](C)ON=C(C)C)CC3)CC2)CC1 1835511505 XGHMCWSWGGKHSR-IBGZPJMESA-N 478.638 0.523 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1835768141 NSQTWRUSNJYZRP-MVJIAIDDSA-N 484.619 0.664 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1)c1ccccc1 1836210916 VJFHFKXZSRLREW-XUZZJYLKSA-N 451.527 0.932 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cc(C)cnc13)CCO2 1836949541 NMRPVBFSEVRWLO-QHCPKHFHSA-N 471.514 0.617 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCO4)CCO3)cc1 1836966774 JSCJHRXYWMFNNZ-XMMPIXPASA-N 465.510 0.850 30 20 JCED CC(C)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)C(C)C 1837527158 KINSLUYGFFALSU-YPXAATRASA-N 468.595 0.994 30 20 JCED CCN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837533202 KZVXSENPMHDULH-MOLUECDUSA-N 466.579 0.704 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C(C)(C)C 1837560249 UJQKFLGZTZTQEJ-PBLQJBHOSA-N 462.547 0.706 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2)C(F)(F)F 1837658821 AMRGDUDDZIXNBW-FQEVSTJZSA-N 472.464 0.862 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1ccccc1=O 1837687192 SJULANLWMJYQEN-FPOHTGDQSA-N 459.547 0.337 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837767667 CSKOZIJTXPPWQW-VFNWGFHPSA-N 453.442 0.352 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837767668 CSKOZIJTXPPWQW-YCRPNKLZSA-N 453.442 0.352 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c1 1838502163 ZOYKOJQIUCQJKJ-DEOSSOPVSA-N 474.477 0.345 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc(C(F)(F)F)n1 1838523031 YUZDILJMOZVCND-IBGZPJMESA-N 471.388 0.267 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1838952219 JFCDFJQFKJOLEN-NRFANRHFSA-N 474.564 0.489 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1839173182 DAQZYNGUHRXACN-DEOSSOPVSA-N 476.526 0.909 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C2)C1 1839173325 KENOQRDQUUHNSU-URXFXBBRSA-N 476.526 0.694 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1839174863 AZEXHXDBHNKFHG-HXUWFJFHSA-N 452.895 0.709 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c(I)c1)CCO2 1839471606 HWWIJEXTUVDPOB-GOSISDBHSA-N 485.278 0.980 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nc2nccn12 1839548638 BTLSTYGKRCGKIO-VWLOTQADSA-N 481.553 0.806 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1F)CCO2 1839967453 MUCPUKXAJTVJGQ-XBKFQHLESA-N 461.490 0.519 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840009847 XLIMXNRFMPOMGF-PKKBDPGCSA-N 491.541 0.178 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)c1 1840180476 RJXUCFUKZKBJNW-PKTZIBPZSA-N 475.498 0.253 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1840714771 GQDATJIZRFAEDD-WAIKUNEKSA-N 467.530 0.717 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1840715673 JWTUXEJMFPUSGB-KOSHJBKYSA-N 465.510 0.641 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(=O)OC)cc3C)CCO2)C1 1840785502 MXYIUBASCLXWHP-MHECFPHRSA-N 458.511 0.890 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818425 BKVWKVDRQZWPIF-SBUREZEXSA-N 458.515 0.308 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1840912143 ASIFWVJMQMVOCR-IEGYKGNPSA-N 467.563 0.683 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842881116 RRCOIUAADXHYLB-RBUKOAKNSA-N 471.558 0.654 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)n[nH]2)C1 1842984914 FOFWDYQOWFGOAM-HNNXBMFYSA-N 492.533 0.738 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CN2C(=O)C3(CCOCC3)c3ccccc32)C1 1845021177 PEGQRLXPHVVFSI-UHFFFAOYSA-N 451.479 0.373 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CCCC34CN(C(=O)C(C)(C)C#N)C4)c2n1 1845884215 MNQVJQLHNIDRAL-UHFFFAOYSA-N 468.518 0.880 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1847070668 PGCBARPSLSCTBY-QGZVFWFLSA-N 482.603 0.532 30 20 JCED CCn1nnc2c1[C@@H](C(=O)N1CC[C@H]3[C@@H]1CCN3C(=O)C#CC(=O)O)CN(C(=O)OC(C)(C)C)C2 1848213115 CZLQSYAEJLRLRF-XIRDDKMYSA-N 486.529 0.422 30 20 JCED Cn1ncc2c(N3CCN(C(=O)CN4C(=O)N[C@@](C)(c5ccc(C#N)cc5)C4=O)CC3)ncnc21 21628092 CVNJWXYYEHCETM-QHCPKHFHSA-N 473.497 0.351 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)c1 24759293 CODPLDRBZAKTIA-UHFFFAOYSA-N 454.512 0.036 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC2=C(C(=O)OCC)[C@H](C)NC(=O)N2)ccc1F 31223013 UWXSTKQDZMKHCM-NSHDSACASA-N 455.464 0.965 30 20 JCED O=C(COC(=O)CCN1C(=O)CCC1=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 105102636 KFIYVDBUWNXJTF-UHFFFAOYSA-N 478.527 0.958 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1F 502050343 OSEUGDSTBKQWNT-UHFFFAOYSA-N 455.515 0.817 30 20 JCED CS(=O)(=O)N(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(C#N)cc1 510869890 ZBRDWROBXONIRB-UHFFFAOYSA-N 462.553 0.857 30 20 JCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 726988330 ONZGORGFHNIYSW-MRXNPFEDSA-N 484.494 0.391 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1 728534629 QQHVEEKRGJDKMJ-UHFFFAOYSA-N 498.561 0.766 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1=O 749197928 XXIRHKLLRDCPNT-UHFFFAOYSA-N 488.444 0.515 30 20 JCED CC(=O)N1CCN(C(=O)COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 822355076 SKFUTCIZEHGENJ-UHFFFAOYSA-N 464.544 0.519 30 20 JCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c1=O 838255230 HZXMHXGDOSWPQP-CQSZACIVSA-N 457.552 0.916 30 20 JCED CCCN(C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 856695115 ZICSGZYDYADIBJ-WBVHZDCISA-N 485.584 0.850 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOC2=O)c1 1302430462 VUNXJOBKVXBZBK-INIZCTEOSA-N 460.516 0.920 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1302487258 OBTZLHULZXPXHD-KRWDZBQOSA-N 455.548 0.874 30 20 JCED COc1ccc(C(=O)NCCN2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)cc1 1307539478 NTRPTASDSXZKRY-UHFFFAOYSA-N 457.556 0.783 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1360652830 IRJVCUPMXHYGQV-GFCCVEGCSA-N 455.491 0.778 30 20 JCED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1493193841 TYKLSEXCDBZWLM-QGZVFWFLSA-N 467.530 0.645 30 20 JCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1505145404 OXOGUNIRPXTEAF-MRXNPFEDSA-N 466.589 0.627 30 20 JCED CCN1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1515836776 JAIZOPASYMQNNL-PKOBYXMFSA-N 487.634 0.823 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cccc(F)c2)C1 1555813926 VLLLAYUXXPTXBV-ROUUACIJSA-N 464.523 0.722 30 20 JCED C[C@H](CC(=O)NC[C@]1(N2CCOCC2)CCSC1)/N=C1/NS(=O)(=O)c2ccccc21 1583305277 QQPFRLOSDVSMQW-FOIQADDNSA-N 452.602 0.828 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@]1(O)CCN(C)C1 1609509690 WBTJBTCYBHWWQP-CVDCTZTESA-N 453.547 0.932 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1COCCO1 1611713673 MIEPJBPGPOETOW-SNRMKQJTSA-N 476.559 0.753 30 20 JCED COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C(C)=O)CC2)cc1 1649681702 WGKUVKNISKBFNH-JOCHJYFZSA-N 467.574 0.965 30 20 JCED N#Cc1ccc(N2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC(=O)NCC(F)F)CC2)nc1 1698489447 QOTDEKUYHHFVHL-HNNXBMFYSA-N 494.528 0.155 30 20 JCED CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1768458519 JAAVVYIVYFBYFT-LJQANCHMSA-N 471.587 0.462 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(N3CCN(C)CC3)CC2)C1 1780647738 CDTVPLJHBBJXGT-HUZGNZCDSA-N 473.618 0.139 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)CC1 1781170025 KMBSPWCBXHQOHS-JOCHJYFZSA-N 488.549 0.044 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c(C#N)c1 1781177514 ZEWAVTWYXIKWSN-QHCPKHFHSA-N 467.482 0.514 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(CCO)CCO)C2)c1 1781838356 CYPMLXYMNXBKHJ-NFBKMPQASA-N 462.522 0.111 30 20 JCED COC(=O)c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c([N+](=O)[O-])c1 1782015224 DIRYNIPMIKTUAR-VGOFRKELSA-N 473.438 0.597 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]n1)C2 1783268047 BKIMBIHSNGIXMM-XCGNWRKASA-N 460.535 0.849 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC=O)C2 1783268906 ICQHFMLNWCOXIQ-PMECCGAFSA-N 464.563 0.551 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1784012376 SBGAEDBQDUZZEC-PBRWIGKDSA-N 490.557 0.900 30 20 JCED O=C(O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)ncn1 1785643538 MKRLZKIMJIYABZ-ZHGQIATISA-N 461.475 0.297 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)=NO2)C1 1786369507 VUTCMHQEENGENC-ZOBUZTSGSA-N 461.519 0.646 30 20 JCED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1787411545 RDIYXBOASQLODN-SCNOPHJPSA-N 453.503 0.475 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788556612 PUMOSODSJREPCV-DWRORGKVSA-N 489.573 0.539 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21)N1CCN(C)CC1 1789798407 VKYWKZWQBFKXKW-UZSDIVCKSA-N 479.585 0.664 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793084836 RDTYXJJNVZLFHB-YZUNECIRSA-N 481.594 0.323 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccnc1 1793146838 JJEYIFSZPYPXJB-UJWQCDCRSA-N 459.547 0.950 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1793354269 PCXOAXANPCEZGL-DFBDCSAJSA-N 455.552 0.443 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cncn2)N(C(=O)OC(C)(C)C)C1 1795855562 WECDPCOPEBBVMI-ZMMAXQRCSA-N 460.535 0.433 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1797710348 TVVZIMQJZLLSSY-OREBXVKISA-N 497.589 0.606 30 20 JCED CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)ccn1 1798686303 CBHLQKQIKMAOIM-FFECZHCKSA-N 457.531 0.933 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2)N1CCN(C)CC1 1799186277 YOGMZMKLRAYMGI-GJPCKUABSA-N 457.550 0.465 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)n2)C3)c(C#N)c1 1799237183 APBDYTAOHGUURU-YVWYUNDQSA-N 453.455 0.214 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1799305080 NROMZRANLDRTGJ-FAQVEIGNSA-N 468.510 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(NC(=O)OC)c1 1799424455 LHEPLGIZAXBXQX-KAXDBTLWSA-N 456.499 0.927 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3[nH]nc(Br)c3c1)C2 1800777291 OQUABJBACWARSX-DPIQGUFMSA-N 461.272 0.617 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1800944844 HODWCKYONOVLSH-QMHWVQJVSA-N 493.648 0.222 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)C2 1800987254 DCYZZOYBLXWCOX-BCKAASPTSA-N 455.577 0.673 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)NC(=O)NCC)C3)N(C(=O)OC(C)(C)C)C1 1801102274 DDNBUWQQLAYNRC-ZSXDVEMLSA-N 493.605 0.849 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C 1801244348 NZYVSTFTQDUPCQ-NLPMXTIOSA-N 489.573 0.473 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806699975 YLFTXYVQLXBLKX-HAVVHWLPSA-N 467.636 0.420 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccnc1 1810632732 NTAHIKCLKNTNFK-PGHKVSDBSA-N 453.459 0.891 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)c1 1811406025 BTJBENQPCBVCBY-LRQRDZAKSA-N 476.493 0.880 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330794 YPHNHWNXISRMQK-CFNUAEIOSA-N 486.514 0.629 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)CCOC1 1822976881 NEUWNJSJAYDKFE-QKVFXAPYSA-N 478.527 0.827 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1828026598 MQVBZEDSGKZKRR-OCCSQVGLSA-N 468.495 0.604 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCN2C(=O)OCc1ccccc1 1829246873 HTEJAXTUXWGYNU-FDDCHVKYSA-N 450.499 0.924 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1829267074 POGZDAQRTPOYMP-HOYKHHGWSA-N 452.511 0.762 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1829465726 BJERDKBJASUILC-QHCPKHFHSA-N 455.515 0.520 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CCN4C)C2)C1 1829766315 RBJFEISZLPLOTF-CVUHLLMESA-N 468.554 0.607 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)cn3)C2)C1 1829770294 HUGVHCDJVZSNAM-RMUOZIPVSA-N 493.358 0.773 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1829770460 RFZFDVNLECECOS-POUSAUBHSA-N 480.525 0.196 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)c1 1830456621 NTVCLQXOHHJDQA-QHCPKHFHSA-N 451.483 0.757 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1832000306 LXFWAAVXTANSTD-MBSDFSHPSA-N 477.562 0.878 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n(C)n1 1833443588 ULHFRIFYCVEHBL-ZISMNVMJSA-N 465.507 0.028 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1833468786 WJDBVFDQIMQDIA-KRWDZBQOSA-N 470.574 0.240 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CN(C(=O)OC(C)(C)C)C3)CCO2 1833749843 NGBMPSDQPQVSOM-JOCHJYFZSA-N 459.503 0.364 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)c1 1833834807 WUSXUCKQWRPXHC-QFIPXVFZSA-N 453.455 0.446 30 20 JCED N#Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CCC(N)=O)CC3)CC2)cc1 1834672053 NHTCESSJBCNHIU-QFIPXVFZSA-N 468.602 0.655 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834753235 CPGPRTZQYBLGGC-HSZRJFAPSA-N 456.499 0.137 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](C)CN)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1835533089 LKQYMUQQCDOPCU-IUKKYPGJSA-N 466.579 0.603 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835681074 PHDVZRFPLFTZLC-RUZDIDTESA-N 485.585 0.463 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681126 QEUMNSMZFNNBOC-DFBJGRDBSA-N 485.585 0.543 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 1835714101 IELVHIYYSKKXCO-OAQYLSRUSA-N 471.602 0.956 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)CC1 1835718518 OIOWQXKDOZKSCD-LJQANCHMSA-N 475.590 0.402 30 20 JCED CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835747767 HWRYDKKRTPBBBV-UHFFFAOYSA-N 461.607 0.528 30 20 JCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)N1CSCSC1 1835782458 TWBRJEUPENUSKW-OAHLLOKOSA-N 454.618 0.689 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)cc1C#N 1836213503 KIFBPLGPXVFAKT-QHCPKHFHSA-N 468.514 0.707 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)COCCOCCOCCOC)CC2)CC1 1836862737 WHFLHFWADHRNJS-OAQYLSRUSA-N 498.617 0.720 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1837311638 IZBIVTRHGBIGRG-WZONZLPQSA-N 474.514 0.981 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1)c1ccccc1 1837613176 XMQVKOMXLXPQHG-REWPJTCUSA-N 493.497 0.365 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)CC1 1837744336 RBHIGKBLOKGLLN-UHFFFAOYSA-N 476.551 0.937 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)c1 1838581624 DOHPQPBUJZZYED-QPPBQGQZSA-N 465.510 0.732 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2)c1cccs1 1838801218 AKNURWXFEHQRKK-SHTLVRLNSA-N 461.496 0.738 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)no1 1838907290 JYPNIGPIFOIZEB-QHCPKHFHSA-N 467.482 0.355 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(N4CCN(C)CC4)CC2)CCO3)c1 1839107492 MBDJOGSTGVOFSL-RUZDIDTESA-N 497.596 0.417 30 20 JCED Cc1nccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n1 1839488270 ICVFLDSHYBFLGB-HSZRJFAPSA-N 461.482 0.917 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839514072 UEQMFKAPQVRCDF-XMMPIXPASA-N 484.509 0.915 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1)C(F)(F)F 1839892659 ADFOTIOITBFMCF-LJQANCHMSA-N 471.436 0.205 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(c4ccccc4)CC3)C2)C1 1840039811 IEQVAPAQTUHYOE-DEOSSOPVSA-N 455.511 0.447 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4cc(F)cc(F)c4)[nH]n3)C2)C1 1840041210 YJHMNFQQPQSDBI-QFIPXVFZSA-N 474.420 0.513 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CC(N)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840252108 NNENIPANLUAQEJ-XFAGBWLFSA-N 494.589 0.520 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)cnc2c1 1840814048 LNPXNPNYRCSUQZ-XMMPIXPASA-N 465.510 0.767 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840885204 RJJITJUIUAHCIT-DHNIJCFSSA-N 452.552 0.504 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1840908110 AMQFHNHWFMNCQZ-STBWGQHPSA-N 479.530 0.390 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1 1840908688 GHTBOLHZFPVDPG-ZKDOBXEASA-N 499.630 0.518 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOC)C2)C1 1840908995 KWTLNRHSXSRBGO-VGOFRKELSA-N 453.536 0.396 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840909168 NVTYUQPBDQTJON-SBUREZEXSA-N 492.529 0.154 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841234268 KRYGTTYCIAYEKP-QGZVFWFLSA-N 458.515 0.508 30 20 JCED Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(S(=O)(=O)/N=C3\CCCCCN3)c1)c(=O)n2C 14622573 HWJNQVCUMAHRGK-UHFFFAOYSA-N 487.542 0.323 30 20 JCED Cn1ncc2c(SCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ncnc21 21754888 LYXFHZGBMWKQMB-UHFFFAOYSA-N 457.541 0.860 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(CC(=O)NC4CC4)CC3)nnc12 25394749 BDEJIIKPSLRDAA-UHFFFAOYSA-N 481.582 0.745 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCNS(=O)(=O)CC)nnc12 31221066 WQEPVPCATHOGEJ-UHFFFAOYSA-N 450.546 0.378 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CC(C)C 480213426 LHEOCVFSILWUPW-UHFFFAOYSA-N 457.552 0.993 30 20 JCED CCc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1S(=O)(=O)N1CCOCC1 502525400 KIXHQAZFWCNRIY-UHFFFAOYSA-N 464.588 0.958 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCN(C(=O)C5CC5)CC4)nc3)CC2)c1 506600209 ZSUHNOZUZUVZPH-UHFFFAOYSA-N 488.552 0.694 30 20 JCED C=CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 512516584 IKZTUMWMOUHRIT-GOSISDBHSA-N 456.586 0.842 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)CC1 515585422 XQAWKQBFIALXOA-UHFFFAOYSA-N 454.574 0.597 30 20 JCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 515723487 DFYTUXGRFITDNF-XIKOKIGWSA-N 457.530 0.114 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c(OCCC)c(OC)c2)c(=O)n1CC(N)=O 524282889 QKEPQUOCMOHHRK-UHFFFAOYSA-N 490.969 0.651 30 20 JCED Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 559313600 ZBVMJQFFNZZPGF-UHFFFAOYSA-N 462.553 0.678 30 20 JCED CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 728142654 GWUYXMANKJORMU-HEHNFIMWSA-N 472.589 0.721 30 20 JCED CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2CCCNS(C)(=O)=O)cn1 730724918 UJLCJAKDKUJSOH-CQSZACIVSA-N 480.576 0.593 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c1=O 748301472 DJDWIJVAEBVXRF-OAQYLSRUSA-N 481.601 0.430 30 20 JCED CCOC(=O)N1CCC(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 749115800 BRNMAROVFJAAGC-UHFFFAOYSA-N 492.554 0.803 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1C(=O)NC2(CCCC2)C1=O 825045541 GHNQNDUCQJZMCJ-UHFFFAOYSA-N 461.544 0.876 30 20 JCED COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 856693551 GLDLPBVTMNFYNE-AWEZNQCLSA-N 451.501 0.835 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916777849 XBFZCCZGVQRGRP-UHFFFAOYSA-N 479.536 0.848 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 917385800 RZDORMRCAGHTFB-UHFFFAOYSA-N 487.563 0.409 30 20 JCED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 918243147 IAWKUMJGFAZJDY-IHCLVQKISA-N 479.603 0.911 30 20 JCED COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920106946 KFAKPMOZSXEYHB-WMLDXEAASA-N 452.489 0.857 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(O)CC1 1303642061 UGEGDUVIGQZQBR-WMZOPIPTSA-N 469.612 0.196 30 20 JCED C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1303696430 PDBVTQVXGRUTTM-SJLPKXTDSA-N 460.560 0.798 30 20 JCED N#C[C@@H]1COCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1435169449 XCSQKZIFBZMNIW-MRXNPFEDSA-N 454.936 0.704 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCSCC2)C1 1505141822 XJBLRMDMSYDYBJ-CRAIPNDOSA-N 473.600 0.102 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1548330161 LIRTWBZWYHOQED-UHFFFAOYSA-N 475.575 0.727 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1589405531 RTKBHFAUZVSFLU-CHWSQXEVSA-N 459.370 0.645 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C 1589406378 WWULGENBIUEOAE-STQMWFEESA-N 477.385 0.187 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C2CC2)CC1 1692847840 HFCNLYSTLFPRPU-INIZCTEOSA-N 465.580 0.267 30 20 JCED CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)N1CCOCC1 1696330335 PKCKVKWUMKXEIL-UHFFFAOYSA-N 454.535 0.657 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(F)ccc1N1CCOCC1 1741946269 ZLQFPCOASKFZIQ-MAUKXSAKSA-N 493.565 0.641 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1778970022 DDHQUMKCRXYGHM-PONJGIIJSA-N 455.552 0.275 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1779016214 QXDONWMROWUYGT-VSIOZEBNSA-N 463.560 0.400 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1779689645 VXPGNHAZTCFFDL-QHCPKHFHSA-N 451.531 0.993 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)c4cc(C)on4)CCO3)C2)c1 1780175314 LGDRXGLMHAHLCB-HSZRJFAPSA-N 467.482 0.737 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780933841 CUMDKOCQNQZKST-BPRFCRFOSA-N 491.570 0.250 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781200756 QOMVAEFONREDIQ-JTSKRJEESA-N 453.536 0.396 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1781264374 XXCQPPLSQNTGJT-MHECFPHRSA-N 495.573 0.962 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CC#N)C4)c2n1 1781606943 VEYRHQUUTRAKRM-IQMFZBJNSA-N 498.544 0.554 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CC1 1781963085 AYNOPUDJOFAEFM-JOCHJYFZSA-N 478.546 0.812 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC#N)C2 1782072826 WTRIDSCUTMWBKW-DENIHFKCSA-N 455.552 0.500 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729233 AIVRILRPWDBQOZ-XMMPIXPASA-N 454.575 0.495 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)nn3C)C[C@@H]21 1783531625 PMMBGYDSVWMEQJ-KIDWBVPLSA-N 469.464 0.891 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(OC(F)F)c(O[C@H]3CCOC3)c1)CCO2 1783566554 DWLYFDMURFNWLF-HJPURHCSSA-N 494.447 0.987 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)c(O)c3)[C@H]2C1 1783780665 OQJKDWIONKBMGQ-DHHFMQQHSA-N 457.527 0.781 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1)C(C)(C)S 1783781271 GBFZDFXVEATNPP-JCEJCQQGSA-N 498.646 0.944 30 20 JCED CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1)C(=O)C(=O)O 1783921165 ASHRBUQSDNMKQQ-SZMVWBNQSA-N 461.902 0.214 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1)c1ccc(O)cc1 1784013376 DLKJTCFVQUGMOF-VAXXYWNWSA-N 457.527 0.782 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C[C@@H]21 1784486494 CSXBIIVHIAPQMF-HVMFNXBNSA-N 495.573 0.461 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1785571573 FJXRTJCRUPXFCK-UUOWRZLLSA-N 472.542 0.745 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)C1 1786705480 HFLOAOVCAYNOLJ-JCECYMMASA-N 450.536 0.498 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)[C@H]2C1 1789949963 PVFJHIZWOYALGA-HVAMYJMISA-N 490.601 0.751 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)[C@H]2C1 1790869434 OBFXDEWBKQORGL-RFZNHBKKSA-N 464.563 0.407 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O 1792451486 ULSJCJCLOUJIOM-KOXJRLGISA-N 463.575 0.997 30 20 JCED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1793569820 CYLPPYSQKHWGAQ-AYWYSENESA-N 489.594 0.998 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)c(O)n1 1794492029 RNYLLLNCSNDZMD-XOIINTDNSA-N 466.498 0.312 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nnc(C)o1 1795787686 AOVCUQWTSIHJCF-YYAJDYIMSA-N 463.535 0.980 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(O)nn2)C3)c(C(F)(F)F)n1 1795996844 ISPOUYNPYVCOOF-CULMDFNYSA-N 462.388 0.985 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1797703614 AGYVICZWYMFVFJ-CWQOZTLDSA-N 469.579 0.425 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C3)c1 1798577525 SMPXYIWNKIFZKE-CEQLMSFQSA-N 490.582 0.442 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1799334715 UMXIQUJDZOBHBI-VQQMMKBISA-N 469.494 0.535 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(N)=O)C3)ccc1Br 1799710606 RDZRLKHJPIZXMR-YWVIFJGQSA-N 450.293 0.192 30 20 JCED Cn1nc2c(c1C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)CC#N)C3)CN(C(=O)OC(C)(C)C)CC2 1800108940 MYBMPTBSXHLBFS-CCWDJLKJSA-N 472.546 0.830 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O 1800540941 IQAKPCIIUHAQDZ-AJYBTWMASA-N 466.579 0.962 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)N(C(=O)OC(C)(C)C)C1 1801102361 IJPHNJLFUXYMMD-RCJHGTSTSA-N 489.577 0.475 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801982972 GHXISPHAHARHES-YVSFHVDLSA-N 450.536 0.546 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2 1802087118 INKNQYXBNOLMIE-SFFUCWETSA-N 498.577 0.833 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802924843 GHSNIAKXCVIHHI-DCZWBIAUSA-N 460.531 0.868 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1803553553 UNQJMRBBOQNXMT-KPFFTGBYSA-N 453.499 0.397 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)CC2)C1 1804856568 QBCTXRVDIDWQPC-WAYWQWQTSA-N 457.619 0.856 30 20 JCED Nc1n[nH]c(CCC(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)[C@@H]2c2cccnc2)n1 1810152124 ORHGMHWDNKQQAJ-BFNFDLKXSA-N 470.534 0.950 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1814207716 KBHRRWKKOUFWEM-DYXWJJEUSA-N 497.600 0.844 30 20 JCED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1)c1cc(=O)n2[nH]cnc2n1 1817468576 DYPPUOQSNLDTFW-LEWUWPJKSA-N 483.489 0.976 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CNC(=O)c3cc(C)on3)sc2C1 1819923261 DTDSYKYMNPDLHZ-FMFIFOJESA-N 472.527 0.640 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828570913 FZLPDAWMJPZWJS-BVZFJXPGSA-N 498.536 0.441 30 20 JCED CN(C)C(=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828571643 FCISNFWUCLQYQN-RUZDIDTESA-N 466.538 0.940 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCN2C(=O)OCc1ccccc1 1828644803 GWJSRERRJXWYLS-VWLOTQADSA-N 475.505 0.879 30 20 JCED Cn1nccc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828717749 KZTFFNJNJKJOGM-XMMPIXPASA-N 479.493 0.574 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1829765948 ASGNZJDNJBVZAF-KSEXMQBYSA-N 453.499 0.263 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)CCO2 1829846347 RXHBZHGRIGGTPF-RPWUZVMVSA-N 490.557 0.622 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1831411590 ZNRMHZPQIZHCCM-QHCPKHFHSA-N 473.530 0.384 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1831432858 ORKWBORUMIUHFD-NYHFZMIOSA-N 479.486 0.970 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831486290 AUWAYGQJBKKLLP-PNLZDCPESA-N 489.635 0.937 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC)C2)C1 1831998654 PSPAMLDLZMHEQS-IUKKYPGJSA-N 468.595 0.910 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1832000114 HEKBRBLOIRHDCC-WZONZLPQSA-N 466.579 0.474 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832356861 HVRFHZSGMKJWCT-BLVRKAHLSA-N 489.617 0.706 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832521501 CROCQDFRISTNHN-ZXKJKHBNSA-N 467.563 0.771 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc4sccc4c3=O)CCO2)C1 1832896945 ZXMLZLXETLAJDF-VLIAUNLRSA-N 451.570 0.838 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832946551 LAUFQNJNWRUCQE-DVECYGJZSA-N 489.573 0.715 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CC2)CC1 1833466346 APSSPRVPHCUZGC-GHTZIAJQSA-N 494.633 0.872 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)c(O)n1 1833696377 GCPMXFQSNJIPGN-HSZRJFAPSA-N 469.498 0.785 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834328640 CKXPWJMNUOWZRD-MRXNPFEDSA-N 473.578 0.613 30 20 JCED N#Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)CC[C@@H](N)C(N)=O)CC3)CC2)cc1 1834732332 QCMXFXLXYCVYCB-JOCHJYFZSA-N 468.602 0.655 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835312046 LRFJMFVZAQZPLN-SEPYTNNBSA-N 480.562 0.191 30 20 JCED CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1835434761 LXLGIFQUJGRFNY-HXUWFJFHSA-N 468.432 0.735 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1835754146 UIIUYWUDYYYMHF-IERDGZPVSA-N 465.547 0.091 30 20 JCED CS(=O)(=O)CCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835769056 QONWLFAGCDEBLS-BCIXFCFJSA-N 472.608 0.522 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1)c1ccccc1 1836146834 CLAZHKUNLQVYCW-NFBKMPQASA-N 452.515 0.327 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836193371 KQIJUBADMPOTLQ-CJFMBICVSA-N 486.569 0.997 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)c2C1 1836773196 ULJQGAPLTGLGCJ-QFIPXVFZSA-N 489.533 0.012 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1837404908 CZWAUBWTFGRGGM-GAJHUEQPSA-N 499.580 0.975 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1)C(=O)O 1837428804 GSFMINGKTSEFAR-AVRDEDQJSA-N 467.639 0.557 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1837440812 ZJUOJDMYWULHBY-AGKSWIAYSA-N 464.563 0.504 30 20 JCED Cc1cnc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)cnn2c1 1837491119 JRGQRDIDFBPBAU-RUZDIDTESA-N 481.553 0.806 30 20 JCED Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837524600 JZLCRGSNSCNWMY-BUXOWXEHSA-N 460.531 0.918 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837527368 LZAAGFJYUWSMCX-VZGHSNBUSA-N 461.515 0.705 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(=O)Nc2cccnc2)CCO3)ccc1F 1837630265 NILHGUKYERPGQX-DEOSSOPVSA-N 481.484 0.730 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837640941 VGWMDCPTQDFQSR-WZONZLPQSA-N 452.515 0.485 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1837869486 QCWQQTQHDJIHKZ-LJQANCHMSA-N 468.620 0.844 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837918744 WGWOBZBFRWNOKV-UHFFFAOYSA-N 486.529 0.539 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)CCO2)C1 1838480923 QSZZBOLLOPIESD-NSYGIPOTSA-N 479.537 0.679 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4ccnn4)C3)C2)c1 1838584876 LROITSIVPAPACR-AOMKIAJQSA-N 454.487 0.490 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2)c1ccc(O)cc1 1838642832 NAIVUHILABRIMD-UQBPGWFLSA-N 480.521 0.743 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4nnc(C)s4)C3)C2)c(C#N)c1 1839132157 WOURCDBCPFHNAP-HSZRJFAPSA-N 485.566 0.968 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cncc(O)c4)C3)C2)c(C#N)c1 1839132256 BJZABWIFWGZNOT-XMMPIXPASA-N 466.494 0.980 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1839173849 PTXLBQQDDZKIOF-XMMPIXPASA-N 486.525 0.635 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1839174858 ALXXYENXAQBTSM-DGQXCUQSSA-N 489.525 0.418 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)C1 1839222534 QQQXEHBFQRMERB-AYMMHLMVSA-N 453.536 0.833 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(NC(=O)OC)c3)CCO2)C1 1839244015 YYOAUTNWGYTAFP-SBUREZEXSA-N 459.499 0.973 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2Cl)CCO3)CC1 1839424178 RYUVEGUNQOSEGF-HSZRJFAPSA-N 475.977 0.529 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)cc(C(F)(F)F)c1 1839442985 KVONVPAMVPGJGB-LJQANCHMSA-N 479.419 0.334 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1ccnn1 1839488613 BOMNJFBLBKCPTL-IVZQSRNASA-N 464.486 0.357 30 20 JCED CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)C1 1839488716 FLNNJMUOVUWUPZ-MHECFPHRSA-N 466.542 0.846 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3ncccc13)CCO2 1839541119 NWHHJXLAADTGFB-XLQQFJOYSA-N 465.510 0.558 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(Cl)c(F)c3)C2)C1 1840039718 FQDCXTNTQUQYHQ-FQEVSTJZSA-N 454.838 0.402 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840075950 LKGIAEYMDRMZOT-SIKLNZKXSA-N 458.552 0.104 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1840108162 ACKFINSSIQOJOR-YVHKJVDXSA-N 468.551 0.047 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)c1ccc(O)cc1 1840220965 MFHJWVBUEVARQD-UQBPGWFLSA-N 480.521 0.743 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1840818324 WHRFXONOOGDIJO-QHCPKHFHSA-N 474.583 0.442 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1840907474 WNGLXVJHQITQGA-GLDPYIMESA-N 479.574 0.929 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841961414 ODEBUCPIIXTQKC-HUUCEWRRSA-N 463.535 0.647 30 20 JCED C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 18662637 VSPLJASZJZYUBY-RHSMWYFYSA-N 483.568 0.194 30 20 JCED N#Cc1c(CCCNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)nn(-c2ccc(F)cc2)c1N 25165818 GNQJLROGLKZIFI-WMLDXEAASA-N 488.545 0.550 30 20 JCED CCc1ccccc1-n1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccnn2C)c1=O 502064647 VQJPXRKMKQFNPA-UHFFFAOYSA-N 451.552 0.851 30 20 JCED CCc1ccccc1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cscn2)c1=O 511676764 ZTJLBOFUTFMQTD-UHFFFAOYSA-N 495.630 0.869 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)cc(OC)c1OC 589158972 ICDRMPXJWWSEIS-UHFFFAOYSA-N 473.551 0.929 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O 608911109 KGFLUEQTTRMIDC-UHFFFAOYSA-N 490.541 0.870 30 20 JCED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2F)c1=O 608912030 KYMVRWALEANYBO-UHFFFAOYSA-N 472.586 0.999 30 20 JCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c1=O 608912752 BAMUVXBXNJLPOK-UHFFFAOYSA-N 462.597 0.043 30 20 JCED NS(=O)(=O)Cc1cccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 727108538 VLWDMKHYKVXVPL-UHFFFAOYSA-N 450.542 0.610 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(C)ccc1F 744121873 NZYSZPZWTJWGQK-AWEZNQCLSA-N 455.515 0.734 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnc(C)s2)c1=O 917761245 IHSVHEAOFPOQAO-UHFFFAOYSA-N 491.639 0.053 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)o1 919548882 CBNGPGHSYHXRIO-UHFFFAOYSA-N 460.454 1.000 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1503832316 XOBPUUNZXFBMBU-CALCHBBNSA-N 461.592 0.911 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1519530864 PMAQHZQBHGOVHU-MRXNPFEDSA-N 464.573 0.333 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1705998175 VPMHPCYCTWPWNT-UHFFFAOYSA-N 475.575 0.725 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CCCO 1711049776 WNNOOHBVOLWAAW-OAQYLSRUSA-N 467.574 0.959 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCN3CCCS3(=O)=O)CC2)c1C#N 1725868760 RDMFZHWITHFBPC-UHFFFAOYSA-N 475.623 0.752 30 20 JCED COCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1730637572 ZJTWEXGBBGPVJJ-AHRSYUTCSA-N 470.596 0.529 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779423231 JMADQBWZOFCYNX-ODTABLRLSA-N 462.551 0.957 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)c1 1780172203 DNTKGCMSVXFQIB-HSZRJFAPSA-N 481.465 0.780 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCN(C(C)=O)CC4)CCO3)C2)c1 1780174124 NUUVBZVWPPQWHB-XMMPIXPASA-N 469.542 0.174 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](C)ON=C(C)C)C2)CC1 1780804869 ZDLHGKMWJGXSED-JXHRLWIKSA-N 465.595 0.465 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780922489 JKPWGLHIBZNYMN-QFIPXVFZSA-N 458.540 0.085 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780924566 RHVPNFUYEOXANM-JTSKRJEESA-N 494.639 0.626 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(CC#N)cc5)CCO4)C3)CC2)CC1 1781110211 MWTDQYVFMUUHCK-DEOSSOPVSA-N 451.571 0.976 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)N1CCN(C)CC1 1781299257 KHDCJZZOQTVBGJ-UUOWRZLLSA-N 457.550 0.706 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(Br)cc(F)cn4n3)C2)C1 1782561762 NLDORKNMLWSPAV-SFHVURJKSA-N 480.250 0.162 30 20 JCED CC(C)[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783567454 PULYYALKYOJTJL-OPAMFIHVSA-N 451.520 0.844 30 20 JCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1783646656 MCHBBENLHWLPQE-GREBRCKQSA-N 456.499 0.502 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CCO2)C1 1783901082 ULXBHDNOOSXITJ-IERDGZPVSA-N 483.612 0.469 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2)c1ccc(O)cc1 1784012956 PSMBBZKIRUFNHN-AVRWGWEMSA-N 477.521 0.922 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1785608094 UPLCHCTXFJUWEL-AOMKIAJQSA-N 474.518 0.099 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1788676787 JBTQZIUVQDWAFN-IHNZEFCJSA-N 455.515 0.826 30 20 JCED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)cn2[nH]cnc(=O)c12 1789175832 LVQCFASZZMCTBU-FZVSIMQLSA-N 486.529 0.453 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)[C@@H]4SC(=N)NC4=O)C[C@@H]32)c1 1789257519 NCFSHZQLBLQCFA-UYJMCMLGSA-N 485.566 0.963 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1789839172 BGUNIQMGBUAFQT-HAGHYFMRSA-N 488.589 0.955 30 20 JCED CC(C)(C)OC(=O)NCc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791074355 SSARYQCNNVKFBA-LNLFQRSKSA-N 486.525 0.788 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(C(=O)OC)cc3)[C@H]2C1 1792340774 OXPRPUSDBXJKSS-VBNDLKKDSA-N 485.537 0.690 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1792451182 GJEIVVOUJYGCTI-BOQPXBONSA-N 496.605 0.995 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cc1 1795322811 ZZGNPDJMCAPCMV-RMFSNUHRSA-N 476.599 0.640 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc3ccccn13)C2 1797809723 CDBWTMQTFYBTMI-ZGNLGFJESA-N 455.515 0.995 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1800026325 JJYHKIDLTKHBAY-PLACYPQZSA-N 494.633 0.608 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1801158155 CIVMFSCBXOYDQM-ZMMAXQRCSA-N 491.589 0.784 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1801994576 TUULIJAEOADUSY-GQEURGSBSA-N 475.549 0.924 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCCNC3=O)[C@H]1c1cccnc1 1803549523 ZMLMAWZTQQQPQY-MMOPVJDHSA-N 464.526 0.770 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1804347255 YYKZCBHUOXTOHJ-LVCYWYKZSA-N 467.526 0.384 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1805660905 FDUQPHWXJKUBMD-KRWDZBQOSA-N 461.515 0.884 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665600 SXRNCMZATCWPBJ-OCCSQVGLSA-N 478.527 0.779 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1829267510 RCODTAWPYVJOJR-CVDCTZTESA-N 473.551 0.649 30 20 JCED Cc1nc[nH]c1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332683 UQDXUPAWEBYOOY-XMMPIXPASA-N 479.493 0.872 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCN2C(=O)OCc1ccccc1 1829396024 CBJKOLDVGMIBEE-VGOFRKELSA-N 451.487 0.319 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1829634322 JXZAVTPXELNXLP-RLWLMLJZSA-N 483.613 0.583 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCN(C)CC4)cc3)CCO2)C1 1829696865 LFNWRWPJRXLGAJ-WZONZLPQSA-N 462.616 0.827 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc4[nH]ccc4c3)C2)C1 1829773334 HDKZTQOPUBXRLR-WPZMDXFYSA-N 481.553 0.810 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1829860108 NQIDEFQAXUJTPX-NFBKMPQASA-N 458.515 0.552 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831188760 VMBJEQLWNNAROT-CMJOXMDJSA-N 468.514 0.419 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1831435729 XOBZEYVTWWWERI-FDDCHVKYSA-N 485.578 0.575 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1831487616 QQAMYFYZUJPJMB-QJNYJZHLSA-N 458.606 0.200 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CCO2 1832038951 MWVXDXSEMSDJLX-XXXZYALBSA-N 494.589 0.605 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832496971 KCFVPTZNEXWEKL-USEDDLAXSA-N 489.525 0.812 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832684331 RCKIBNOMSMSTPT-DEOSSOPVSA-N 466.494 0.867 30 20 JCED O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)CN1 1833123568 VPWBPCQXNFPBEU-XJNGEBIUSA-N 463.579 0.613 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ncn(-c3cccc(F)c3)n1)CCO2 1833352801 VBHCXGTWZRREAW-QHCPKHFHSA-N 453.474 0.890 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1833762115 XMLNEMQQZNXAAT-FQEVSTJZSA-N 451.527 0.208 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)CO2)C1 1834767248 OMVPVURWNZCDDC-UZUQRXQVSA-N 478.546 0.382 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CCOC1 1835346118 RAWXFPSXCXISTB-PKTZIBPZSA-N 478.546 0.430 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(-n5cnnc5)cc4)CCO3)C2)c1 1835498143 BNQPKYYMYLVWCH-QHCPKHFHSA-N 461.482 0.851 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)C5=NNC(=O)C5)CC4)CC3)c2c1 1835702331 TXVPGYONQNJPCO-UHFFFAOYSA-N 462.514 0.496 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1835773511 LDSSMEAGWRNVMG-QGZVFWFLSA-N 461.563 0.876 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1sc3nccnc3c1N)CCO2 1835873891 HTDKAHRDLAGHQX-BNOLWBGWSA-N 486.554 0.202 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836111471 XCQCDLSKNBGIEI-FFCJBUTOSA-N 459.528 0.737 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)ccc1Br 1836481305 YEOUZNPMPZLRMD-GHTZIAJQSA-N 475.343 0.919 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1836861137 MXOHWKURAPXEDF-KRWDZBQOSA-N 488.610 0.928 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1837396410 CWKOEKPEWUNTLZ-GAJHUEQPSA-N 469.579 0.883 30 20 JCED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c(=O)[nH]c1C 1837488743 OMBVRPDFRKCSMK-DEOSSOPVSA-N 472.542 0.155 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1837529401 SWDQAGDEWKWQSS-HLJFKENESA-N 471.514 0.933 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838582224 HHPIXFKSZGNYEE-JOCHJYFZSA-N 475.571 0.121 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838597866 AIZWXPZHFZFRJR-NRFANRHFSA-N 479.990 0.766 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)c(NC(C)=O)c3)CCO2)C1 1838606943 DLCNASXZOGIPAQ-BXKMTCNYSA-N 473.526 0.762 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc5ncnn5c4)CCO3)C2)cc1 1839049324 QYVIHPWAMBYILV-XMMPIXPASA-N 460.494 0.914 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)cc1C#N 1839080341 QEWNSICVJSXCPM-SKPFHBQLSA-N 472.542 0.138 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN(CC)CC)C2)C1 1839176204 BFMDYMWEFVUICY-WMZHIEFXSA-N 453.580 0.930 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210177 GXXUKVUKNCITKP-JTSKRJEESA-N 453.536 0.132 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1839420923 NBZUUFIIAFSCEK-DEOSSOPVSA-N 496.499 0.411 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(N)=O)C3)C2)cc(C(F)(F)F)c1 1839443501 LYBGFOUVBPUUGE-HXUWFJFHSA-N 468.432 0.913 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)N4CCN(C)CC4)C3)C2)c1 1839452925 DRTZVGWKKKSGAQ-NBGIEHNGSA-N 469.586 0.573 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4Cc5[nH]nc(C(F)(F)F)c5C4)CCO3)C2)CC1 1839738339 SMZOHWQZJGDQOG-RBZFPXEDSA-N 467.448 0.903 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CC[C@H]1C(=O)OC)CCO2 1840139954 KMMKKDPZCHSDDY-ZQAYVECASA-N 450.532 0.789 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)NC(=O)OC(C)(C)C 1840165075 VTWSHCNOIAVALU-PZPWOCDFSA-N 489.591 0.218 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1)c1ccccc1 1840320628 SRIAKIVWIABHGM-GBXCKJPGSA-N 457.527 0.996 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813737 RZYFKEXRHCWDGO-AOMKIAJQSA-N 466.535 0.022 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840819776 DWVHYLLNFLXYDQ-QFIPXVFZSA-N 456.455 0.188 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1840913032 VLVSEDLPXYHCDW-KBJGYGKASA-N 476.534 0.344 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1 1846211620 FHXDDXTXMWOJHE-JKSUJKDBSA-N 451.520 0.685 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1847510031 FDUQCSHVRQUFHL-XSLAGTTESA-N 494.589 0.990 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(S(=O)(=O)CC)CC3)nnc12 497879694 CFZABKRQCYDGBZ-UHFFFAOYSA-N 476.584 0.816 30 20 JCED Cc1nc(S(=O)(=O)NCCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1C 511727773 PIVGIKAMMVNDRP-UHFFFAOYSA-N 470.559 0.786 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)C1=O 513246388 VYGUQTFZHQGSJY-INIZCTEOSA-N 462.528 0.489 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1 514335908 KJLXBMJLHKAQDH-UHFFFAOYSA-N 457.512 0.746 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CC(N)=O 524281804 ACOGLKGIIAPCRZ-UHFFFAOYSA-N 461.927 0.938 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)cc2)c1=O 603796987 TVWCBVIWXTVEEL-UHFFFAOYSA-N 456.568 0.280 30 20 JCED C[C@H](c1cccs1)n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 726584037 NLABXGCGTXHVPS-CQSZACIVSA-N 455.565 0.676 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)c1 729671995 ZIUNVTAUCVHWPX-UHFFFAOYSA-N 463.581 0.381 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(=O)(=O)CC)CC1 748055618 PVWOQCYRXBJPDI-MRXNPFEDSA-N 456.590 0.778 30 20 JCED COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 916874988 JOIWICXJWGCECE-KRWDZBQOSA-N 465.528 0.735 30 20 JCED COCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1 918408932 BSVNSXFOLZNHIP-LYBHJNIJSA-N 493.586 0.535 30 20 JCED Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1=O 1165452356 IGXPGVWSBPYUFS-UHFFFAOYSA-N 456.812 0.835 30 20 JCED Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)c(=O)n1C 1289665466 LUXBTHANQJOBGU-UHFFFAOYSA-N 455.544 0.858 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(C(=O)N(C)C)c1 1541946578 XWWUKASKZLIHTE-QAPCUYQASA-N 475.575 0.562 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1N1CCOCC1 1541946669 ZBJQVSGOMAFGQY-WMZOPIPTSA-N 475.575 0.502 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CCO1 1618694957 ZJZZDKNVRUTFFN-IEBWSBKVSA-N 467.530 0.263 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCOC1 1706883721 PGJSKVCVZZIGTA-VGSWGCGISA-N 489.602 0.628 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1710333542 YUWQTNVNDORCRR-UHFFFAOYSA-N 468.562 0.465 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)CC1 1778114947 PIZHEKLMZMPBDH-XMMPIXPASA-N 488.610 0.992 30 20 JCED O=C(CCN1CCOC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1778782337 RAFZAJDEHCBQTG-HWVFXGPNSA-N 466.535 0.872 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064579 FMKGZCRUZNMXIG-UUOWRZLLSA-N 469.542 0.123 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)no1 1779125973 JYGBCXICMNUWBF-JOCHJYFZSA-N 455.446 0.867 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4nccnc4C(N)=O)C3)c2c1 1779941857 USABNYRWKWWGPE-MZNJEOGPSA-N 488.508 0.765 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781857269 AIAYKCRMTMDSFV-WNGNBXMQSA-N 470.523 0.188 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ccc(C(F)(F)F)cn3n1)C2 1782010655 UGSIEJAXRFGENR-JLTOFOAXSA-N 479.415 0.964 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(C)=O)C2 1783268107 ACNUOGHSDZZAQA-YZZKKUAISA-N 464.563 0.553 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C2 1783268249 MSVCVFGYMXZNSD-MNFWLRKXSA-N 478.590 0.928 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C[C@@H]2OCC[C@@H]21 1783567440 PLKRVPGVFZLBEJ-KOAQGZTJSA-N 491.541 0.319 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1784444829 FFBDUEVZPUXPRO-TTYHFUOFSA-N 462.572 0.674 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1785196349 NJPDSLYTJDVHKX-WMZHIEFXSA-N 474.514 0.853 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1785196350 NJPDSLYTJDVHKX-XXBNENTESA-N 474.514 0.853 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)C1 1785623285 NDFNJAMGIWRBFB-QFIPXVFZSA-N 463.531 0.690 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21)c1cc(=O)n2[nH]cnc2n1 1786975086 NNLPNWZOEQOBNM-IEZWGBDMSA-N 480.912 0.716 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787500524 LLKKXOYLRFNZKR-BWJWTDLKSA-N 466.560 0.278 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1788573951 WWYMCCNOZVJDMM-PJVZLEMVSA-N 483.606 0.815 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1788631538 MMPLDYQCAUKIBS-BRFLTPSNSA-N 476.599 0.467 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1790879185 ASXVWTXTWBIABR-DZKIICNBSA-N 454.430 0.948 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1792836989 BDJDRGPNYLDTFR-GPVSGQMNSA-N 477.908 0.998 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)c1 1796440466 XLIIQYIBSCRKCP-ALOBAPJISA-N 474.583 0.942 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc([N+](=O)[O-])c(OC)c1 1799247758 GUXQZLDMXZFUGU-HJZKZARXSA-N 472.498 0.594 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)c1ccccc1)C2 1799301638 DXHVOPPBVDKTBV-HATOLVCRSA-N 457.527 0.858 30 20 JCED COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1799383374 WLPBXVKDGBFUFO-ACHVPNTGSA-N 489.569 0.848 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2cc(C)on2)C3)c1 1799801734 DYLRCEPWAODTNR-RMFSNUHRSA-N 451.483 0.796 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c(I)c1 1799842643 ACYAIBQBFXOXNI-DPIQGUFMSA-N 484.246 0.288 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)C=C)C2 1802125332 FMVKJPQJPVAJFB-NRUGXNMXSA-N 462.547 0.183 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1C[C@@H]3C[C@H]3C1)C2 1802125818 VTXPKBQPDLOTEV-YUDLKVPISA-N 474.602 0.833 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1802129105 ZCSSWONXROPNPT-QTSPYONBSA-N 481.546 0.108 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812877869 BWNSGPXEYMIXDF-FUHIMQAGSA-N 474.514 0.715 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815669803 URSYLOUQIKOYAK-WBVHZDCISA-N 451.549 0.171 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)CN3CCNC3=N)CC4)c2c1 1823889344 OZDZMLWGWQDFFN-LBPRGKRZSA-N 463.527 0.957 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CNC(N)=O)CCN3C(=O)OCc3ccccc3)C2)c1 1829476163 OOMUIHWLEBBMOW-XMMPIXPASA-N 493.524 0.620 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829476174 OWTHLZUKXDQHSZ-VFNWGFHPSA-N 463.560 0.425 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829532598 VVNJPEYRPOIDEY-BZLIYVJTSA-N 451.474 0.902 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(c3cccc(OC)c3)C1)CCO2 1829639715 LWURHBXTTAXZBR-CLOONOSVSA-N 469.538 0.918 30 20 JCED CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1829848020 WJAVUJWNMYEMED-QFIPXVFZSA-N 497.520 0.270 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2)c1ccc(O)cc1 1829958836 BRMALHJVSGZXID-LZCXECNNSA-N 483.565 0.872 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831142939 IRDMJNFLLJVTER-NTKDMRAZSA-N 459.543 0.806 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1ccc(F)cc1 1831218627 YGEJGIFQBCIDJO-LADGPHEKSA-N 457.502 0.873 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3COc4ccccc4O3)C2)C1 1831387419 HWDHEBXOCYCDAR-IMWIBFENSA-N 458.511 0.711 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(NC(C)=O)c3ccccc3F)C2)C1 1831398954 NFPJBPFLRHEXEE-ZYKLXPEUSA-N 489.544 0.672 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C2)C1 1831421328 HZKRBWCYVJBYGL-XXBNENTESA-N 480.583 0.816 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831608077 BJUUDDSLUKYWOM-XFAGBWLFSA-N 496.605 0.814 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1832004034 KORSEINKKAZHKJ-TVTNDZMWSA-N 468.551 0.675 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832796436 UQEHQBXKDWWNET-QFIPXVFZSA-N 453.455 0.299 30 20 JCED CCOC(=O)N(CC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)Cc1ccco1 1835364506 WOJBFSDKIDJYRV-QFIPXVFZSA-N 462.503 0.998 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(-n5cnnc5)cc4)CCO3)C2)c1 1835498142 BNQPKYYMYLVWCH-HSZRJFAPSA-N 461.482 0.851 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1835672563 DTVGDJQIJDUROP-OAQYLSRUSA-N 464.498 0.134 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1835765451 JYFWESUYVUDEMO-MQHZAWOVSA-N 489.573 0.402 30 20 JCED NC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccccc1 1835817730 GKDPORRLVDZBEU-VHWNGOAXSA-N 454.527 0.897 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)c2C1 1836773219 UXJWNBYUOCSUFQ-HSZRJFAPSA-N 488.545 0.617 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1836842649 RLYWOQAOODSZEH-SJORKVTESA-N 459.609 0.904 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837169423 OERMCRFSVNJOHO-DYDJXISFSA-N 472.502 0.328 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1837427430 QIZKZTJJTKGTOD-DEOSSOPVSA-N 489.645 0.809 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1837440145 DAXROPFWHUDUCG-RZZUAFPKSA-N 460.531 0.699 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1 1837445418 XYWKZDZUUPXHJE-ZZAWEDPDSA-N 460.535 0.417 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491104 UXBOKGZRZZFMJV-AUSIDOKSSA-N 459.547 0.069 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)ccn1 1837528398 JBBZYFOVQGIUEJ-QNRXVKNXSA-N 489.529 0.639 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1837530623 OGAUHXJKQZEKTP-QHXINNDMSA-N 451.520 0.539 30 20 JCED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)no1 1837531076 BSTRXNJYMCEVST-ZISMNVMJSA-N 450.492 0.836 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1837566735 JDCWETIPOUSAKU-GDCHBODYSA-N 472.542 0.556 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837659114 QIKAQHFIMIBTNH-XMMPIXPASA-N 490.557 0.253 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1839072312 LVVWPMRQIQOVPO-XBKFQHLESA-N 480.562 0.214 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1839477066 URZKVTCDUVOZSU-OAQYLSRUSA-N 465.503 0.603 30 20 JCED CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488048 USWXTSZGPBGBNJ-FCORRRHLSA-N 454.531 0.878 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2ccnn2)CCO3)c(C#N)c1 1839710683 ONGGVOSUXXRDPJ-HXOBKFHXSA-N 468.514 0.418 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839717928 SAAVIWZFKZKJFE-PXNSSMCTSA-N 468.532 0.167 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C1)C2 1839738844 IOBLDYLGLYCIIT-XDHUDOTRSA-N 487.557 0.628 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)C2)C1 1839805210 FTYJCOTWLWRCCA-GAJHUEQPSA-N 463.531 0.245 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839844909 YCFUVEXXHPEULE-IUKKYPGJSA-N 469.579 0.931 30 20 JCED COc1ccc2[nH]cc(/C=C/C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2c1 1840043824 WFTIZDIOUPPQCQ-OCVYDVGESA-N 467.478 0.734 30 20 JCED CN(C)[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(Cl)cc1 1840044572 MEJAENDLGJCWCB-RBBKRZOGSA-N 463.918 0.487 30 20 JCED CC(C)C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N(C)C(=O)OC(C)(C)C 1840044998 LYXCWPNSBFABKC-HOYKHHGWSA-N 495.573 0.812 30 20 JCED CC(C)C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N(C)C(=O)OC(C)(C)C 1840044999 LYXCWPNSBFABKC-KOSHJBKYSA-N 495.573 0.812 30 20 JCED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1840321946 LULROWYXKCTIFP-HXUWFJFHSA-N 495.330 0.747 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H]3[C@H]5COC[C@H]53)CCO4)c2c1 1840609187 VBAGDDWZAROHCS-GNVZTASGSA-N 451.483 0.397 30 20 JCED NC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1 1840647514 FTKKWYMPNHWLAN-SJAQWOJPSA-N 474.514 0.385 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819631 XIJPYDHFJDQUIJ-SBUREZEXSA-N 458.515 0.260 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)no1 1840820697 FWCWHSIWBJBFBX-HSZRJFAPSA-N 454.483 0.933 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)C2)C1 1840844305 NYQFAVHFZQQFRV-MVOHMCPASA-N 491.585 0.881 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840901311 DUHDGRQNIOXZNZ-XQYSSQEWSA-N 485.585 0.733 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1ccc(C)cc1)CCO2 1840902348 BYEULLZFVMCRIX-KWQGRVAKSA-N 484.553 0.040 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnco3)C2)C1 1840906732 ILWPVDNVUNVSFL-AOMKIAJQSA-N 462.503 0.661 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCNC3=O)C1 1842564708 CZHCZEWVOZXIIR-HNNXBMFYSA-N 470.530 0.360 30 20 JCED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)CNCP(=O)(O)O)C2)ccc1Br 1842874891 DSPSWUZDWXGTRK-UHFFFAOYSA-N 471.248 0.863 30 20 JCED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)ccc1Br 1845457762 CQPWCUIXOGLILX-AWEZNQCLSA-N 460.288 0.736 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CNC2=O)c(C(F)(F)F)n1 1848029592 LZTUKAFSVOTBNA-STQMWFEESA-N 450.377 0.339 30 20 JCED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 486271335 RURJAZSJBVPHSF-OAQYLSRUSA-N 467.551 0.830 30 20 JCED CCCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccnn2C)c1=O 502013204 GOSKLXUYOFXMEG-UHFFFAOYSA-N 451.508 0.966 30 20 JCED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@H]1CCCO1 511066447 WIXDUHCKCXXZNO-ZWKOTPCHSA-N 497.573 0.658 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCNS(C)(=O)=O 518064981 TUJXRHOOSALGNP-UHFFFAOYSA-N 484.550 0.157 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 518131407 JBMOVYHWELKMDQ-UHFFFAOYSA-N 465.495 0.611 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)o1 523251595 BOKZXGDAOPSHAE-UHFFFAOYSA-N 464.503 0.261 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CC(N)=O 608912522 UCEYRPQQIXIAPB-UHFFFAOYSA-N 476.942 0.239 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(=O)N(C)C 609074964 VVCATSBBSDHJMU-UHFFFAOYSA-N 498.483 0.162 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCc2cnn(C)c2)C1=O 726738320 UKFODIQSTHPQST-DVCONVQISA-N 478.600 0.636 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)CC1 728536074 IFKBDQRUVVVGGD-UHFFFAOYSA-N 498.561 0.401 30 20 JCED N#CCCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 731223300 DNXYGKZJXUIYPC-LJQANCHMSA-N 496.611 0.375 30 20 JCED C[C@H](OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(N)=O)C1 831543017 BJPSWLUOHKUZLV-HOTGVXAUSA-N 478.571 0.941 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1CCOC 916200735 NZPZKXWBNGDNRX-UHFFFAOYSA-N 451.495 0.880 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 916417625 WZYXTZOVRUFEGJ-HNNXBMFYSA-N 468.557 0.597 30 20 JCED CCN=c1nc(NCC)nc2[nH]nc(SCC(=O)N3CCN(c4ncccc4C#N)CC3)n12 917392772 RWTXHVIMYSWSGN-UHFFFAOYSA-N 467.563 0.512 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 918609458 XGTOUNYWMUTYCA-WKCPZHCVSA-N 482.584 0.474 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)NCC(F)(F)F)CC2)c1C#N 1612470641 URZSLTAFVFTSFZ-CQSZACIVSA-N 494.482 0.148 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)CCO1 1620356082 RSJFNFKLZZGQNB-ZWKOTPCHSA-N 458.544 0.268 30 20 JCED CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCCO1 1641635038 ZLMVLYRUTFAFRQ-INIZCTEOSA-N 452.533 0.979 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 1654473583 IROKVBLNNFUAAS-HXUWFJFHSA-N 456.524 0.423 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CC1=O 1712486380 LDZQTZGQAMLLIJ-SFHVURJKSA-N 453.547 0.832 30 20 JCED Cc1nccn1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1725707085 WDYBOHYCWYVSDP-SFHVURJKSA-N 462.580 0.946 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1729680352 MHVYWPNDBRZSNY-ROUUACIJSA-N 458.544 0.735 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)c(OC)c1 1730091223 RSGWCQXTONVOGT-KRWDZBQOSA-N 456.503 0.940 30 20 JCED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1742233493 VPSOUKFXDKLYIN-OXJNMPFZSA-N 479.538 0.108 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCS(=O)(=O)N(C)C 1763044490 PNNHNGHBXWGNHH-HNNXBMFYSA-N 459.580 0.814 30 20 JCED CN(C)C(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1768439264 OGOTYGBGUKCUFI-KRWDZBQOSA-N 451.535 0.691 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778054846 DCOXUYRQTOAZRX-RCHKNJNJSA-N 489.492 0.726 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1778965440 RESJOBQRQNBCIZ-PONJGIIJSA-N 455.552 0.275 30 20 JCED Cc1cc2nnc(C(=O)N3CCO[C@@]4(CCN(C(=O)C/N=C/c5ccco5)C4)C3)c(C)n2n1 1779136407 QOZKNLAHPVKNCA-NYNQOQISSA-N 451.487 0.897 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(C#N)ccc5F)CCO4)C3)CC2)CC1 1781110675 XWLSMRJUKFLUFL-HSZRJFAPSA-N 455.534 0.921 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)COCCO)CCO3)C2)CC1 1781170036 LGYKDXHDCITNBL-QHCPKHFHSA-N 480.562 0.366 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5n[nH]cc5[N+](=O)[O-])CCO4)C3)c2c1 1782196708 DKZKBKXGDQZORQ-HXUWFJFHSA-N 450.415 0.823 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782196740 GCQQURFLFGFMJO-XMSQKQJNSA-N 454.487 0.029 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2)c1ccc(O)cc1 1782255810 VZISDSOBOODTNK-JDRJUVJTSA-N 496.564 0.955 30 20 JCED C[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CN1C(=O)OC(C)(C)C 1783555337 IFSSZEKVZHLQSL-SEPYTNNBSA-N 463.531 0.940 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1783894128 IBAOUZVMYNHMPA-XCGNWRKASA-N 486.635 0.896 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)N(C(=O)OC(C)(C)C)C1 1783930990 DXASCUXMWBLTGD-VWMXVWASSA-N 495.573 0.998 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3I)C[C@@H]21 1784484929 FYBBMPRLUGASNT-OSFYFWSMSA-N 486.310 0.646 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1784491768 SXZKRBXFIVRKGU-MPGHIAIKSA-N 466.560 0.414 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1785574504 LNRIQLGNLKLIBK-HTAPYJJXSA-N 453.536 0.396 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)C1 1786695956 QTAJVROSGWEHLY-FKSLSLAPSA-N 476.574 0.888 30 20 JCED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)CCC1 1786788697 WBILAWJLSWWWMR-CYBMUJFWSA-N 470.555 0.886 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)C[C@@H]21 1788474116 WOBZTWGICFYTBV-QBWPOKONSA-N 464.906 0.869 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601633 CSGHLXASFZPDEL-HVYSQBCLSA-N 494.637 0.680 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790142104 XNHLMFOYRNDSQZ-TTYHFUOFSA-N 462.572 0.674 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 1792426101 DPFDYGPFNYZJPA-YHSXXIMFSA-N 469.538 0.676 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793431998 FXHYZPBZCVJEQO-QLCXLMDBSA-N 466.579 0.947 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794266286 ZEENFNRARAGVFH-CYGHRXIMSA-N 487.557 0.853 30 20 JCED CN1CCN(c2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)cc2)CC1 1795597251 APIWRHGYWKKMGG-IUTQVRIDSA-N 482.629 0.923 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(S(C)(=O)=O)CC1 1797702974 JYLYNDKFKOZEID-LYBSBZHASA-N 452.577 0.155 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)cc1 1798691065 BPFOPDHURUATML-JWVYWZTKSA-N 485.566 0.765 30 20 JCED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1801694248 RVYLSITVLYEVLV-BTTYYORXSA-N 464.473 0.283 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)C2 1802125815 VTXPKBQPDLOTEV-FAXLKHNMSA-N 474.602 0.833 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cn3[nH]cnc(=O)c3c2C)[C@H]1c1cccnc1 1802488166 SDKQYKXRAUZCBU-YRTIDYAOSA-N 489.536 0.904 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNCP(=O)(O)O)C2 1804373793 JYWXAALCEUMDGT-FZKCQIBNSA-N 472.479 0.266 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@H]1c1cccnc1 1805167746 GCXWNOONBKQFRD-MHECFPHRSA-N 490.520 0.211 30 20 JCED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1806617188 FCKFHRUQMDVFKV-SIKLNZKXSA-N 456.439 0.864 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807148277 WUJBCVSJLWNHKT-FBBABVLZSA-N 492.584 0.978 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)cc1 1816667479 LULYXUJRXVTYEO-CYBMUJFWSA-N 475.494 0.609 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817249216 HNPQPZVAEIFRJR-UXLLHSPISA-N 489.577 0.911 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825660954 ZQNSVNIXDDNCLJ-TVZGQMOCSA-N 470.507 0.323 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCN2C(=O)OCc1ccccc1 1828592421 MNKZTVBSGVIWDC-CYFREDJKSA-N 468.510 0.960 30 20 JCED O=C(C#Cc1ccccc1)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1828875965 KOIXVWJAPUXXOP-SANMLTNESA-N 477.517 0.801 30 20 JCED CN1CCN(CCC(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CC#N)C3)C2)CC1 1828930983 VAJOJMRSIBLWGS-SANMLTNESA-N 496.612 0.990 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1831431958 IGDWLMCQXYXGDF-HOYKHHGWSA-N 476.526 0.497 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cc(C)ccc1C)CCO2 1832432087 ALYXSNSOCOGFSE-UTBBOMKLSA-N 471.554 0.997 30 20 JCED COc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1832820454 FCZDXPLJCHPTRH-XMMPIXPASA-N 473.574 0.761 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833027404 CVXBURZGQDKGSB-MZNJEOGPSA-N 472.542 0.643 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)n(C)n4)CCO3)C2)c(O)n1 1833404119 LWXLJRMKTRUUCU-HSZRJFAPSA-N 471.514 0.729 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c(C#N)c1 1833475915 ZBNSYDHEKPJMCB-XMMPIXPASA-N 482.493 0.279 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833570683 UGJILWPVRWYQJI-QTJZXUDQSA-N 461.450 0.565 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)=O)CCO2)NC(=O)OC(C)(C)C 1834726738 ZBICCSLIEYPFTK-JTSKRJEESA-N 453.536 0.891 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c(O)n1 1835305085 RNDGJBOJUOPAAH-JPYJTQIMSA-N 458.515 0.254 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835364281 PDQBARYSPXGUQY-FDDCHVKYSA-N 490.561 0.606 30 20 JCED COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1F 1835673311 ZVTYLJVVIZQQOH-QFIPXVFZSA-N 463.510 0.581 30 20 JCED C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674762 LWMGBXNTYWQHCV-WZONZLPQSA-N 458.563 0.620 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835688939 HVQUSUBSNFGGAT-HQGJICSSSA-N 458.563 0.810 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835729470 GMQRDKHBDXQVNX-LWJGVMBGSA-N 484.667 0.358 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)cc1 1836259862 NDZKLHAAUHAZMJ-QHCPKHFHSA-N 499.549 0.288 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3cc(Cl)ccn13)CCO2 1836368160 ZGGYSRJHLMBIAB-XXGSHBOYSA-N 487.944 0.916 30 20 JCED O=C(NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1cccs1 1837488548 JSHOGZQQCJDMNO-XMMPIXPASA-N 489.594 0.633 30 20 JCED COc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc1F 1837524146 AOVLNEXCJWRTCJ-UZLDXKMBSA-N 480.493 0.828 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1837525331 MCTJVUDUOXAQJG-XXVAPRDTSA-N 466.447 0.787 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1837533632 YAGRXUXTLVFBHT-FTDNPCGHSA-N 453.536 0.789 30 20 JCED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c(=O)[nH]c1C 1837561338 HSWWXVMDSRZTOI-DBNSOCDESA-N 457.487 0.169 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949538 HTYVKPRULPTERY-CYFREDJKSA-N 488.541 0.514 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn(C)c4)C3)C2)c(C#N)c1 1839131352 CBNAZEQDEOYCEK-QHCPKHFHSA-N 453.499 0.613 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncc(OC)c3)C2)C1 1839174294 QYIBLTRELKHYNU-DEOSSOPVSA-N 475.542 0.989 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839185393 YIXBHXCGEZFXIF-MBSDFSHPSA-N 492.577 0.594 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)ccc1F 1839186215 HEUOKXXCXQSOMK-NRFANRHFSA-N 463.535 0.713 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839225001 VJYQJIIFLRJHPO-QVKFZJNVSA-N 460.491 0.306 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839240787 VDQDYGYTPGQLKK-UELCCTMMSA-N 463.535 0.554 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452732 SQXWECTVRDPYEC-GCJKJVERSA-N 460.487 0.001 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1839453493 OAXPAVCDNGCACS-HSZRJFAPSA-N 467.482 0.511 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)c1 1839453966 LUGMLQSQEWCNLC-NRFANRHFSA-N 456.528 0.847 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1840055339 PNUPEDNDOUFNDA-AOMKIAJQSA-N 469.535 0.475 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1840108130 MZHAJBDAWHYXSB-YGKZAACZSA-N 497.593 0.359 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840164633 DIPZWKNBZYDVHD-YCRPNKLZSA-N 452.529 0.627 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1)c1ccc(O)cc1 1840219065 ADPMUCBZOQITAE-CPJSRVTESA-N 486.569 0.617 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1)c1ccc(O)cc1 1840220163 AKPJYRYZVQDPOI-GBXCKJPGSA-N 457.527 0.482 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccc(O)cc1 1840222624 VVLCVOSDUKVZND-FQRUVTKNSA-N 495.532 0.271 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c(O)n1 1840228216 HOCIJQHOKZMREO-XDHUDOTRSA-N 472.542 0.502 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1840908401 ASFYIILOBZXNBO-NTKDMRAZSA-N 489.573 0.634 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843082930 QOGXKDFLSPXSSI-LJQANCHMSA-N 494.556 0.884 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1847260273 RZULKZGKGAFDOC-WKWXBOELSA-N 454.527 0.226 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c1 16114311 YXPZHLUBLJAJTM-AWEZNQCLSA-N 493.563 0.933 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C(F)(F)F)c1 502015147 HFBIQSDASZGDAM-UHFFFAOYSA-N 477.468 0.917 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(F)cc3F)c2=O)cn1 523181840 ICKAQQROOXUWNZ-UHFFFAOYSA-N 471.489 0.755 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1C1CC1 590998915 VNPHOCCFMPOIEP-UHFFFAOYSA-N 473.551 0.926 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(NC(C)=O)c1 603495772 QPZWFSNVJQGPRV-UHFFFAOYSA-N 463.519 0.518 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CC(=O)N(C)C 608778776 GDFWBMMDZMEKER-UHFFFAOYSA-N 474.558 0.491 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCNS(C)(=O)=O 608913152 ZJZZPRADPDYLIY-UHFFFAOYSA-N 468.988 0.142 30 20 JCED N#Cc1ccccc1CN1C(=O)CN(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1=O 726586069 GGKVEIZTTBOAPT-UHFFFAOYSA-N 468.539 0.750 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 838976288 CHUFYGPWOJAWDW-MRXNPFEDSA-N 484.538 0.868 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(OC(F)F)cc3)c2=O)cn1 839308080 BCFACSOGHMAIMF-UHFFFAOYSA-N 487.488 0.596 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 857837264 BRZNSDVIAZUYLH-HNNXBMFYSA-N 482.497 0.711 30 20 JCED CCN1CCN(CC(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C(=O)C1=O 919146541 XZAFBOBISIJDSU-UHFFFAOYSA-N 455.471 0.790 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 920467446 QWRZCZMEMSFPEK-KRWDZBQOSA-N 457.508 0.653 30 20 JCED CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1142050506 ILHZRBYCGAFHTA-UHFFFAOYSA-N 452.533 0.603 30 20 JCED CCN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313549156 OWWHCCDKTRLHJE-UHFFFAOYSA-N 474.529 0.997 30 20 JCED COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1315538446 UZOGEVBHZZCAET-VQIMIIECSA-N 476.559 0.876 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1546588038 OYOXCUJNNISJRA-GOSISDBHSA-N 473.559 0.479 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)cc1OC 1554873752 ZWUTUHRRDILJFR-MRXNPFEDSA-N 462.532 0.727 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1555558567 XGRYFBPAVVOFCS-QGZVFWFLSA-N 467.527 0.560 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CCO1 1596641684 IUHMPFNUOBDSEQ-SFHVURJKSA-N 458.544 0.735 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1722765574 QJSXFLLTMMBBHL-JQVVWYNYSA-N 493.634 1.000 30 20 JCED CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1741714084 LHAFBLGEHOYXIB-GOSISDBHSA-N 487.586 0.868 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)C1 1750848463 POWNGSMOFGYJKQ-CEXWTWQISA-N 483.639 0.564 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1767847956 VBEZEXBFWFWQCU-UHFFFAOYSA-N 474.591 0.013 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778162584 SSNODVNYUFAGBW-HMLKYZKVSA-N 467.526 0.028 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779093021 XHWRKYVODHSUIG-IRLDBZIGSA-N 451.640 0.518 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)c3cccc(Br)c3)C2)C1 1780974042 MYSFQVJPGQLVGI-PKOBYXMFSA-N 451.273 0.400 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)CCNC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1783190983 HKGWKLJVGRTSEM-MBSDFSHPSA-N 464.563 0.908 30 20 JCED C=C(C(=O)N1CC[C@@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1)C(F)(F)F 1783207649 BWEYDXBTHAMIFP-LJQANCHMSA-N 468.469 0.631 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnnn1C)C2 1783267860 GCXDQRAMMYPPHR-PRCFCKQXSA-N 474.562 0.859 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1783478925 TWMNVHOPKPRYHF-IUUWJXCHSA-N 464.563 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)C[C@@H]21 1783528439 WRJVTOZTCNCHRO-KQYWMXRHSA-N 475.567 0.542 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)NC3)CCO2)C1 1783765483 OTNZMXRFPKMVJW-SEPYTNNBSA-N 464.563 0.812 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784604502 YCQZXGRZFMYOPO-ZOCZFRKYSA-N 463.539 0.533 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1)NC(=O)OC(C)(C)C 1785306987 SPIWKLVQTQLMBW-SYJLOODJSA-N 493.561 0.274 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785363984 UOGCALCWGBOPQK-ZHRRBRCNSA-N 450.536 0.786 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1785578418 YCCLXSRPZYOGBL-IRBZQWRBSA-N 481.546 0.349 30 20 JCED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)cn2[nH]cnc(=O)c12 1788660587 YXOABNORAHRUQH-FZVSIMQLSA-N 486.529 0.453 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1788660734 JJCGRJWXWQMYFW-HYVDPFPHSA-N 463.491 0.070 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789573301 UYSFAPYVKZTAGK-TUFLPTIASA-N 457.483 0.646 30 20 JCED CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327856 CYYMONDWWOKOKR-ZVZYQTTQSA-N 453.503 0.299 30 20 JCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)[C@H]3C2)CC1 1790667183 KCSRAFNTWFBUBW-YFNVTMOMSA-N 452.555 0.905 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)CC2=O)c1 1791073075 LLLDPZVZGMAXIE-FVCZOJIISA-N 469.494 0.116 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791073227 SXMWVWWTQWIYPX-QOMBBPHQSA-N 493.557 0.062 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC)[C@H]2C1 1791479255 WVEVATISOWLSGS-QAETUUGQSA-N 466.535 0.239 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)[C@@H](O)C1 1792449470 BEADPFWOEYKPLP-KYHREEPGSA-N 461.559 0.607 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCSCC2)c(C#N)c1 1792465721 QVHPXNJKWIAMBK-BBIADKPPSA-N 458.584 0.748 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)C(C)(C)C 1792921500 PKWCQVICMHJMQP-CWQOZTLDSA-N 451.564 0.900 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)OCC(F)(F)C1 1795085266 DDYMBXSTDBPBBO-JYYAWHABSA-N 472.489 0.761 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)c(Cl)c1 1799751994 SBQGHOROMRPEOA-YWVIFJGQSA-N 454.874 0.618 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnc2nc1O 1799922272 YVCGQRAFQCZUMQ-ALXJQNPVSA-N 452.515 0.820 30 20 JCED CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)cnc21 1800778217 HMTZSUKITFMSJU-XEMDLRDOSA-N 484.509 0.670 30 20 JCED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2ccc(C#N)cc2)C3)c(=O)nc1O 1801966815 JXGZNHLZELUOJQ-HATOLVCRSA-N 465.510 0.351 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncn4nc(N5CCOCC5)ccc24)C3)CCC1 1801981066 PBJNYCAMOPGSIR-XEMDLRDOSA-N 479.541 0.463 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1804373187 LERWUTVHQRZLOC-RDGPPVDQSA-N 496.630 0.272 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806590592 WXQKKYASXQNVDF-KRWDZBQOSA-N 489.573 0.686 30 20 JCED C=C(C(=O)N1CCC2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1)C(F)(F)F 1806900547 GXWGVILXFPDZAP-UHFFFAOYSA-N 496.490 0.783 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807146991 DTNJEAYFDWSLKD-UFYCRDLUSA-N 458.563 0.520 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1807151753 YDPFJHVFJRFQSX-UWJYYQICSA-N 467.530 0.944 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808270908 JFKBANANVVWVNE-INDMIFKZSA-N 460.579 0.843 30 20 JCED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN(CCO)CCO)CC3)c1 1823669430 JQGDHLSLCQPDPC-CQSZACIVSA-N 461.519 0.666 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1824266538 SDECBPHQRZYJJJ-ROUUACIJSA-N 465.547 0.970 30 20 JCED N#CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824807723 AYILXTOOWRTJEL-KGYLQXTDSA-N 462.557 0.149 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NNC(=O)C1)CC2 1828283783 DQDIZPAWVUXGQC-DGCLKSJQSA-N 474.543 0.848 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1829267711 ZHGHCGFYFJKMQY-XMMPIXPASA-N 479.493 0.646 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C3)C2)C1 1829661215 PERBXPXAJUFTBF-MBSDFSHPSA-N 467.563 0.685 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3SC)C2)C1 1829768846 KFPJVLIKKILBNI-DYRFGFBLSA-N 460.556 0.732 30 20 JCED CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1830518144 AJMYFHIHKGWBGJ-KXBFYZLASA-N 456.421 0.813 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2 1831136537 JBQNUGLUCNWIHH-QHCPKHFHSA-N 467.563 0.788 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1833452054 TZWUQBBYQKDUNO-QFBILLFUSA-N 472.652 0.459 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(N(C)C)o2)CCO3)c(C#N)c1 1833901104 QTZBQWWJFNGYFM-XMMPIXPASA-N 483.525 0.934 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CC(=O)N(Cc5cccs5)C4)C3)C2)CC1 1835340995 MEYUVTFPWVLLBQ-GAJHUEQPSA-N 472.567 0.857 30 20 JCED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)c4cccc(C#N)c4)CC3)CC2)CC1 1835511268 RIPFXHWQMWQIJF-UHFFFAOYSA-N 480.613 0.908 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835667361 DLIMAZALIDONHA-YKSBVNFPSA-N 474.558 0.467 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677984 STZFMQXACZSCBC-DEOSSOPVSA-N 497.556 0.792 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835765952 RMXQTRRGCFAQIB-WPWRZWQBSA-N 486.635 0.768 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1837446340 ISZXLRKINUWTMF-PWDRKSFLSA-N 484.601 0.312 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837447546 QOVPCYLEWGAXNU-XTVKVDEJSA-N 493.605 0.972 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(C)(C)C 1837486699 MMDMTSQWLPROKV-PXDATVDWSA-N 477.602 0.692 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc1O 1837524380 AIBFQJORIZMHGU-LHXMNEFISA-N 491.541 0.929 30 20 JCED CN(CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)C(=O)OC(C)(C)C 1837526825 GQXLSFDANFLGHP-FYGKWSDDSA-N 498.577 0.839 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1ccccc1=O 1837687194 SJULANLWMJYQEN-RDSWPZEHSA-N 459.547 0.337 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838117257 PPODNMBCFILXHU-FDDCHVKYSA-N 453.499 0.376 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn(C)c(C)c3Br)CCO2)C1 1838768249 FTKYPBOBWWTRMZ-FOIQADDNSA-N 483.363 0.599 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044545 MMNLAGJQRYZVFC-ZHRRBRCNSA-N 493.586 0.149 30 20 JCED CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(OC)cc4C#N)CCO3)C2)COC1 1839132844 SCRZQQMRDIDLID-XMMPIXPASA-N 457.527 0.992 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839419865 YVQRDQRBOQYVKC-NRFANRHFSA-N 465.503 0.674 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1839421931 UHTLUPZUJIJETD-RXVVDRJESA-N 465.503 0.345 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)[C@@H]4C)C2)C1 1839810108 DKNZTPGEXLGYLP-MZNJEOGPSA-N 487.557 0.898 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(I)c(O)c3)C2)C1 1839811413 SPBJKNYSFLSAFM-SFHVURJKSA-N 470.263 0.700 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c(C(F)(F)F)n1 1839869264 GGQZYLXNXQLPSM-XCLFUZPHSA-N 481.431 0.178 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840055240 MAFAUTDZPIQEDN-LRAJWGHMSA-N 489.591 0.218 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C2)C1 1840158209 HMCPPGOEJNYXIX-WAIKUNEKSA-N 490.557 0.819 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)c(C#N)c1 1840180899 JKZCRWPHWOQTSY-BJKOFHAPSA-N 489.525 0.182 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1)c1ccc(O)cc1 1840221344 NBOMHUQTEYNLEN-DVECYGJZSA-N 467.526 0.788 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840294907 SHXITTBMUXIQIO-YADARESESA-N 481.590 0.912 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840453342 HUSZWHPJODBFNF-OKEGVBJISA-N 459.547 0.777 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840820122 ZYEHOBMQYADMDI-UJRYQCAWSA-N 486.525 0.922 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1840907392 TZTQDXUIGBHJPT-YADARESESA-N 478.590 0.455 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1840913153 ZWWHVTNBOKYMQI-ZGNKEGEESA-N 490.561 0.355 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)C1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)C2 1846197498 WZQOWQCTMDVBKG-UHFFFAOYSA-N 477.514 0.518 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1847069542 OYWPGVOQKHYGAA-ROUUACIJSA-N 479.530 0.601 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 107885200 JTUCVZQCPXXCEC-UHFFFAOYSA-N 458.496 0.649 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC1 303174826 BYIUFKDVBISDDP-CYBMUJFWSA-N 455.378 0.913 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 515522537 FYJCCIIYRJHMEM-UHFFFAOYSA-N 456.524 0.653 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(F)c(C)c3)c2=O)cn1 521531153 VXNBHGBRVGBRJX-UHFFFAOYSA-N 455.515 0.829 30 20 JCED C=CCN(C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[C@H](C)c1cccc(-n2cnnn2)c1 596510907 PIRJJHPUUFZVTM-OAHLLOKOSA-N 476.497 0.592 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CC(=O)N(C)C 604270482 RPNIZXBYQWKCQK-UHFFFAOYSA-N 484.622 0.969 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)CC1 728608705 QOOKKZPCFVQACH-UHFFFAOYSA-N 484.534 0.723 30 20 JCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)N1CCSCC1 730550778 IFWZWFUKFFRWJE-UHFFFAOYSA-N 488.657 0.780 30 20 JCED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1=O 748576420 SNLYHRATOWUXNE-JOCHJYFZSA-N 499.505 0.157 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccccc1CN1CCOCC1 805942614 PSEITTVMQXSSHQ-UHFFFAOYSA-N 486.550 0.528 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)c1 913611254 PAQIIMRZVXNPCJ-UHFFFAOYSA-N 457.468 0.616 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCc3c(C)c4c(C)nn(C)c4[nH]c3=O)CC2)o1 915387735 BONPAVLBSXTJGB-UHFFFAOYSA-N 481.513 0.871 30 20 JCED CCN1CCN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918261813 ZSNWZGMCUJGCNC-LYBHJNIJSA-N 464.592 0.192 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCOC 920394825 GTBJZLDOQMXSGD-UHFFFAOYSA-N 474.495 0.265 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCSC2)CC1 1288986312 RRCCXIYROMTKCV-BEFAXECRSA-N 470.621 0.609 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314540617 VWQDJRLCPRIPSO-GOSISDBHSA-N 478.623 0.362 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690346162 MJFKNOOCRQJCFB-HZPDHXFCSA-N 455.972 0.540 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1697712299 JBUDQJXILHYHME-UHFFFAOYSA-N 462.532 0.068 30 20 JCED N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCN2CCC(O)CC2)cc1 1698488924 LKIWDUSHLPXOIE-GOSISDBHSA-N 453.547 0.887 30 20 JCED CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1711218795 PNHCFEGWNCHWAX-HSZRJFAPSA-N 488.614 0.913 30 20 JCED CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCOC1 1729945879 ZOWXRUHCTJSDMB-HSZRJFAPSA-N 453.547 0.832 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC2(C(N)=O)CCOCC2)cc1 1731185333 YOHVIXPZGRMOCB-UHFFFAOYSA-N 458.544 0.580 30 20 JCED CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1751216993 XYMMGTRAKMZVHC-FRQCXROJSA-N 457.576 0.687 30 20 JCED COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCC1 1769322996 ANNIAYUUIPUIJN-DOTOQJQBSA-N 451.597 0.882 30 20 JCED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777820386 BVSUVKIIABQAJR-VGOFRKELSA-N 455.519 0.709 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1778087643 PDVMYUATZWRMGK-JLHGSKIFSA-N 450.536 0.738 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778327440 PRSHPZCDVUYTTB-SFTDATJTSA-N 453.467 0.253 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106188 XSGKPHCRTZGHJP-OQDKFGDKSA-N 451.549 0.372 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106808 VFTHOOSRDXCSGH-VOVIXQRCSA-N 489.525 0.808 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)c1 1780600429 MRVNJFIBONMLQZ-JOCHJYFZSA-N 451.439 0.772 30 20 JCED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)N2CCOCC2)C3)cc1 1781011556 QKPJFZJAJKNHRQ-JCTONOIOSA-N 456.543 0.531 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781200651 LBOYBYALXAGNOM-FUMRIQNTSA-N 480.562 0.216 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CNCP(=O)(O)O)C4)c2c1 1781204599 GRIAANASLYPDKB-DYESRHJHSA-N 490.457 0.287 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cnc4c(O)nc(NC(=O)C(C)C)nc43)C2)C1 1782886111 NUVWJDSXONHHJQ-DEOSSOPVSA-N 497.556 0.760 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557083 GVEZKKQFVAVBDJ-KOSHJBKYSA-N 486.525 0.435 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1783616045 DZSCPYWFICNJTP-DGGJZMOXSA-N 462.547 0.880 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1)C(C)(C)S 1783777728 KPQAWPILLNFECZ-ZUOKHONESA-N 468.580 0.850 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)Cc4ccccc4C3=O)[C@H]2C1 1784163073 FANHXXFMWAAVOL-HQMSXXKGSA-N 481.549 0.620 30 20 JCED C[C@@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)C(F)(F)F 1784874922 TUMIIKQYHZMPMH-BKMJHITLSA-N 451.442 0.808 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nnc4cc(C)nn4c3C)C[C@@H]21 1788574589 DHLCGDBGNFTCFB-XLAORIBOSA-N 456.547 0.908 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)N1CCN(C)CC1 1788660291 HAYCEBPQUSOKJT-TVAOHMKVSA-N 465.595 0.131 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790860294 UOFVMVFWMSDRJQ-APAFKAMOSA-N 478.590 0.962 30 20 JCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1791269030 UBDYXLWCBDPYGA-BXWFABGCSA-N 462.510 0.968 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccn(C)n3)C[C@@H]21 1792258218 YTEHOWNQBQETEF-FFGOWVMKSA-N 473.574 0.859 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOc1ccc(Br)cc1 1792350148 LUAXEIYZHNQFDY-VTEUUUEMSA-N 465.300 0.896 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cncn1)C2 1793600183 YNEQDVYWGNYJDE-JCECYMMASA-N 462.551 0.898 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C2 1793832284 ZCBXTAUIALSVSV-BQJWPVKWSA-N 451.568 0.687 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(C)(=O)=O)cc1 1795414105 ZORPXDFVVUYOMK-ROAZTASUSA-N 475.567 0.081 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796445313 NLNYNXCINCKHCB-KQMKRTKOSA-N 493.582 0.962 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)[C@@H](O)C1 1799199328 YFLZMRWZBXQAEN-FLQYYVGBSA-N 483.565 0.856 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C 1799222058 MYYKNPOYAYHFRO-RPUYLAQPSA-N 486.635 0.656 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C(=O)OCCO 1799265063 LLRRQPNUUCKHOD-BZYLRBNYSA-N 455.511 0.946 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1799353395 HVWMTCJCRGTUJK-INLMFVPISA-N 498.577 0.381 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1799363892 LQZBUBKUSPRSND-FSNPWBFUSA-N 469.579 0.425 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2)c1ccc(O)cc1 1801054290 ZMNXDQCUOIEQLE-XWQURZDVSA-N 453.543 0.319 30 20 JCED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)OC(C)(C)C)C2 1801911152 CKDPJTKPPPGJOU-YVSFHVDLSA-N 465.572 0.682 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C/N=C/c3ccco3)[C@@H]2c2cccnc2)CC1 1809669226 OSBGPANQQIBFBM-WLIQDDFFSA-N 480.569 0.964 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)C[C@H]4NC(=O)NC4=O)[C@@H]3c3cccnc3)c2c1 1812069231 UUCAJUCATDSWKZ-RRMPHLOHSA-N 486.492 0.747 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1812494355 VDFJXFNAHPHVAO-CVROSWQUSA-N 460.556 0.523 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)[C@H]1c1cccnc1 1812875250 SSYKXFDCOMTXAV-SBUREZEXSA-N 474.473 0.862 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819674600 JTRRJOXOVWTQBX-WCQYABFASA-N 474.543 0.848 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)C[C@@](C)(O)CC(=O)O)sc2C1 1826068306 NPBABVHUMUQCLU-PLDCKWHNSA-N 450.517 0.529 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCCC1)CCN2C(=O)OCc1ccccc1 1828497143 OJNQENNUVGXULE-VWLOTQADSA-N 482.537 0.622 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCN2C(=O)OCc1ccccc1 1828618025 CCRRVRVFMBQFER-VWLOTQADSA-N 493.520 0.667 30 20 JCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1)N1CCN(C)CC1 1828807994 DBIABFAQHMTEGI-RLWLMLJZSA-N 496.612 0.988 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828969953 YLFXAASXYWTNDO-WMZHIEFXSA-N 490.630 0.876 30 20 JCED C#CCCC(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828989762 IEAWZMRNKLFHOT-CJFMBICVSA-N 483.569 0.445 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)cc1 1829635533 KFFPVCPSCDYVIQ-QHCPKHFHSA-N 452.515 0.629 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(F)cc(F)c3)C2)C1 1829765141 IGVLQEYWOJRCJG-XXGSHBOYSA-N 463.481 0.822 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)CCO2 1830778624 HGFIUAUSHWJGPL-AVRDEDQJSA-N 465.572 0.694 30 20 JCED Cc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1830916148 CZZKMFPCLGJQAC-KDYRRFBVSA-N 460.531 0.918 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831037962 AUSIKSHQNZEBHP-SBUREZEXSA-N 485.578 0.921 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)C(=O)c1ccccc1)CCO2 1831143883 PPMYLPVYHMUERP-HAAQQRBASA-N 484.553 0.073 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1831390981 CEWKGVGLCGWAHS-HTAPYJJXSA-N 453.536 0.348 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)cn1 1831490380 BDPGUCSXKCMELD-UWJYYQICSA-N 451.545 0.893 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831959032 KPOZZRBHFQPQOV-VKUXZERMSA-N 450.442 0.288 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833028882 WQYREYNVYKUKKX-MWTRTKDXSA-N 458.515 0.253 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)CCO2 1833566675 PQNUKZRDWPADIV-HSZRJFAPSA-N 454.458 0.134 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c(O)n1 1833696317 CMYJKMZTXGDKAY-DEOSSOPVSA-N 484.509 0.689 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)c(O)n1 1833696378 GCPMXFQSNJIPGN-QHCPKHFHSA-N 469.498 0.785 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc(C)c(C)[nH]c4=O)C3)C2)c(O)n1 1833696841 PYUNVHAYYWFMOS-RUZDIDTESA-N 497.552 0.990 30 20 JCED CCOc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cnc2c1cnn2C 1835354513 MSFHJOBQDHXEDF-JOCHJYFZSA-N 456.503 0.741 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1835714258 SJQSYBHTGSFURQ-IBGZPJMESA-N 459.547 0.933 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CNC(=O)c2ccco2)CCO3)cc1 1836121403 FJZKWANHQVLRCK-VWLOTQADSA-N 480.521 0.970 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nnc(Br)n3c1)CCO2 1836256441 MNNZGFLFXWGMCE-NRFANRHFSA-N 488.342 0.975 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 1836858056 CAIHJLYPACSFTA-SFHVURJKSA-N 456.543 0.848 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO2 1837221365 KAGMKVHRQYXWCH-SIKLNZKXSA-N 454.520 0.540 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1837403472 UFDRIDYTFVKFHT-QRRBZYCPSA-N 483.565 0.926 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1837841638 GAQBZJUXZGYHHG-MKQXIXSSSA-N 467.567 0.107 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838118643 SRVXBMRBTUVEHE-BTYRIHFPSA-N 498.540 0.866 30 20 JCED CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cc1C 1838149857 IAGSZLCFYYJDMF-DEOSSOPVSA-N 458.559 0.980 30 20 JCED Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1Cl 1838307971 FHEOKTBAZIRAPV-WTSMWHHMSA-N 469.926 0.673 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)c1 1838736049 GSRGXWBFRPQYSQ-OAQYLSRUSA-N 451.443 0.018 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1838825241 YWIXGRPJLHSDGF-GOSISDBHSA-N 479.578 0.570 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839036014 MWQKSLQPEQZIHA-BXKMTCNYSA-N 457.502 0.814 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)N2CCN(C)CC2)CCO3)c1 1839103683 UZTNGSIUPQYHNY-NBGIEHNGSA-N 469.586 0.573 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCN(C)C(C)=O)C3)C2)c(C#N)c1 1839131489 HODVFMDZHLHBCX-DEOSSOPVSA-N 472.542 0.434 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1839173409 OAJLFFZSZDJTNB-KOSHJBKYSA-N 495.573 0.962 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)cc1O)CCO2 1839269616 NEFPAJWKBLRWAZ-IBGZPJMESA-N 467.272 0.313 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839379124 USCHOPUGQBARFE-WEHRJKGCSA-N 480.525 0.196 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)cc2C1 1839622237 RYBRURZXGIZGLO-LPHATQMZSA-N 487.605 0.260 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839668064 YHCGZLSKVISSAO-QMHKHESXSA-N 466.498 0.170 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1839840752 LMIFRIYUYGVKLB-IXFSTUDKSA-N 468.595 0.897 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839987696 RNPXWZPSDUKHJH-QFIPXVFZSA-N 467.567 0.249 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCC4CC4)cc3F)C2)C1 1840043674 NSJYEEHDBAWNIA-HSZRJFAPSA-N 460.458 0.773 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840319035 NLEKAKIXCQRQEB-KSFYIVLOSA-N 484.550 0.268 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1)c1ccccc1 1840320629 SRIAKIVWIABHGM-HYBUGGRVSA-N 457.527 0.996 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1840907212 QGVIPGSUYQSIRE-HXOBKFHXSA-N 473.530 0.463 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1 1840912159 AVNLTWRBMONZKZ-PUZWTLIVSA-N 497.589 0.575 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)Cn2cnc3cc(Br)ccc3c2=O)C1 1841647732 HKRPBZRFSVUJEH-UHFFFAOYSA-N 473.283 0.450 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)C#CC2(O)CCCCC2)C3)CC1 1843837856 OGPXOSAXMLRCTM-UHFFFAOYSA-N 451.589 0.560 30 20 JCED C#CCCC(=O)N1CC2(CCCN2C(=O)CCOCCOCCOCCOCCOCCOC)C1 1846253834 OFXXCQMEUAILMQ-UHFFFAOYSA-N 498.617 0.723 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 1847264928 JPKSPJFLBNFRGX-LUPFYHBJSA-N 496.564 0.819 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 15527671 JPTWUUQHIUVCIW-QZTJIDSGSA-N 458.540 0.956 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3)CC2)cc1 16775878 DGDHWQCTEYCOGQ-UHFFFAOYSA-N 462.553 0.760 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1CC(N)=O 518075243 TVQQSZBACVTNNZ-UHFFFAOYSA-N 478.958 0.485 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 523256725 RZWXCGJOOMGPDJ-UHFFFAOYSA-N 494.598 0.719 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 552936094 MVTIISAVLLXIES-UHFFFAOYSA-N 484.581 0.235 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCNS(C)(=O)=O 589160279 DZYWRFCVLFWAAG-UHFFFAOYSA-N 485.534 0.789 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCN3CCN(c4ncccn4)CC3)CC2)cc1 603506977 GBVJCJKYMOSKGH-UHFFFAOYSA-N 498.613 0.576 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 729257977 YOTTXAOQMDFUKG-FQEVSTJZSA-N 470.570 0.379 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCN(C(C)=O)CC1 730026097 WIIYZPZULJWIPS-HSZRJFAPSA-N 454.483 0.385 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cnn(-c3ccccc3)n2)CC1 749396936 IIJUNBXIEFWRNQ-UHFFFAOYSA-N 480.506 0.829 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 794250330 HQBNMSOACKAMKY-UHFFFAOYSA-N 478.571 0.531 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 858005246 GBLJYXNUUGHQAN-INIZCTEOSA-N 457.512 0.282 30 20 JCED C#Cc1cccc(NC(=O)CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 917065921 ZMPNRILYVNYVMA-UHFFFAOYSA-N 479.562 0.943 30 20 JCED C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)c1 917923762 BZQVUZTXGQBJJJ-OAQYLSRUSA-N 456.480 0.648 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCCN2CCOCC2)cc1 918271746 VXRTXLJFHYCOHO-LYBHJNIJSA-N 465.576 0.667 30 20 JCED CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1 918285311 GEBMODVKQBZLQI-NMWGTECJSA-N 463.560 0.909 30 20 JCED N#Cc1ccc(CSCC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 919818130 OBQRTSOBILAJBY-QGZVFWFLSA-N 457.599 0.453 30 20 JCED C[C@@H]1CCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1291080772 UASLDABBCTVYST-MDYRTPRTSA-N 452.581 0.902 30 20 JCED COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1299434965 LEFBIZSXGIEBRX-UHFFFAOYSA-N 459.532 0.741 30 20 JCED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1307599695 QZQJBDIXUNBOPL-NXHRZFHOSA-N 452.602 0.795 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1359447290 SPIUKRWHWMFGAP-ICSRJNTNSA-N 472.571 0.983 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CC1 1502343172 KRLXVOGBHKZNTP-ZCNNSNEGSA-N 496.682 0.623 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCSCC2)C1 1510292388 ONDPFYUPYFTUKU-PXNSSMCTSA-N 483.664 0.790 30 20 JCED CN(C)CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1517009458 IWQDGRJNCALWOO-QUCCMNQESA-N 474.587 0.898 30 20 JCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC2CCCCC2)CCO1 1521130511 XNWOKFRNLFUABL-RDJZCZTQSA-N 450.565 0.748 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCO[C@@H](C)C1 1541116366 NXANXWYZQNDOBA-CEXWTWQISA-N 483.639 0.708 30 20 JCED C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)N1CCSCC1 1541806622 PVXCFYMZHMPLIO-OAHLLOKOSA-N 455.610 0.517 30 20 JCED COCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1555440726 VMBXXMDRIKSNJP-BEFAXECRSA-N 456.544 0.870 30 20 JCED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 1561512270 SUMVAZGMAOYWLA-UHFFFAOYSA-N 459.366 0.732 30 20 JCED CN1C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCS(C)(=O)=O)CCN2C1=O 1711274103 OFJKQMHRVUQFSL-MRXNPFEDSA-N 459.532 0.329 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCOC[C@@H]1C 1723612760 PUXPNTDBTHTFKH-SFHVURJKSA-N 467.578 0.730 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1749830520 MBDRYRFDWVZGEL-QGZVFWFLSA-N 454.597 0.657 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC(=O)N1CCOCC1 1761481115 LYSTYYZMUVIXMW-OAHLLOKOSA-N 453.569 0.267 30 20 JCED CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1762056277 QUZWFMGNKMZBDO-LJQANCHMSA-N 494.600 0.712 30 20 JCED COc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1768927772 UKIPQVDILFGORW-SFHVURJKSA-N 459.576 0.603 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCCN2CCCCC2=O)C1 1770349630 PXZCZXHXVXOWFE-GOSISDBHSA-N 479.607 0.754 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCC2(O)CCOCC2)C1 1771361421 MAIYYIBCOIFBLT-QGZVFWFLSA-N 468.580 0.283 30 20 JCED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778088250 BVZXXRDLKZYFIQ-YLJYHZDGSA-N 459.634 0.845 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)ccc1F 1778383437 MRLLDNFOXRJXCA-DEOSSOPVSA-N 480.500 0.714 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778753353 YZZAGPUOCOAJFE-LRXVAGHRSA-N 469.604 0.210 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cn3c(nc2=O)SCC3)C1 1780543886 BJZZFIIMYKNAJK-QZTZHPFYSA-N 490.626 0.979 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CC#N)cc2)C1 1781011587 SZCWOXVAVDQSRC-KKLQWCBXSA-N 458.515 0.945 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782191946 CDWXXHZEXLWXOV-LHSJRXKWSA-N 474.543 0.206 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c(C#N)c1 1782786936 HFLMJPLSLLXWJB-DEOSSOPVSA-N 495.492 0.709 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783130892 WHQBCBFWQOYINC-HCLVMJGWSA-N 492.598 0.779 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783134771 DEOQEHRXXWICFA-QMHWCDLVSA-N 474.514 0.515 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)ccc1Br 1783563387 QRIKXXWDQGWVGP-LJQANCHMSA-N 451.273 0.989 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cc([N+](=O)[O-])cn4)[C@H]3C2)cc1 1785214248 KTJMNNOHPIZYHV-IHPCNDPISA-N 452.471 0.885 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(C)(C)O 1785611539 PYQOAEAKLPAVOC-KWAHZMDQSA-N 495.621 0.952 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)c2C1 1788251427 ALIFMEAEVQNSRD-ZOBUZTSGSA-N 473.534 0.536 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1789890013 CMSCDATWDOMSEC-XSLAGTTESA-N 483.562 0.361 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C(=O)OC)cc3)[C@H]2C1 1791416633 ITITYOSMLJASDS-LEBGWRHOSA-N 469.538 0.854 30 20 JCED O=C(O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/C(=O)c2cccs2)C3)ncn1 1794367326 BZTFGKGDJHHQHG-BPNQKZMOSA-N 456.480 0.879 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794405533 WVORIBNOGSVRAU-HGKCTWBKSA-N 477.587 0.111 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cc1 1795415818 AUESETNTRVCUJW-XXPAMXQASA-N 476.599 0.694 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795446425 JVKOKTCEIRVXDF-IIZPIQPGSA-N 491.633 0.130 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnn(C)c1 1795772356 IZSYVXAXHBDLOC-JTJHWIPRSA-N 473.574 0.859 30 20 JCED Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(C#N)c[nH]3)C4)cnc2s1 1797064473 LTAAGYQDAHACNY-XOIINTDNSA-N 452.496 0.781 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1797650295 GJNVAXFMVSKWEQ-LOHZADLCSA-N 490.626 0.525 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1797712220 VUBAYIVGKAOXKR-JSJNYSNDSA-N 460.527 0.612 30 20 JCED COCCOCCOCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798433468 MSZXLHFDLKXBNJ-LQXUOVCPSA-N 468.595 0.793 30 20 JCED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cn2[nH]cnc(=O)c12 1798464792 OGMRUBUPNQTDPD-XVZARHNVSA-N 472.502 0.063 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CN3CCSCC3)C4)c2c1 1799882809 LSRPKNIVRKYJMX-CWPLJXCYSA-N 454.556 0.687 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C 1800825195 VUUMUERLIVQNPO-KNOPUDJJSA-N 495.617 0.910 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1800985867 PTDOJUDJVCSALY-WBAHDQRJSA-N 457.593 0.512 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1800999764 VBQYJMNGBCZHLX-YVWYUNDQSA-N 471.539 0.444 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(C)=O 1801660853 AANFNBBIGKDRNC-XMTFNYHQSA-N 495.577 0.566 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 1801866627 ASJZJERYPVOOFQ-FCQWJQKHSA-N 451.479 0.358 30 20 JCED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1801883880 YNVLDXJATZRYSI-RMFSNUHRSA-N 476.555 0.214 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1803552706 IMTXAPLGGRBGEU-SIXWZSSISA-N 460.581 0.986 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@@H]3c3cccnc3)c2c1 1804349764 WPRZZAUZWISFSH-YWMUFLPLSA-N 486.492 0.747 30 20 JCED N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@@H]2c2cccnc2)CC1 1806849659 DLLPMIFJIWTFRO-RDTXWAMCSA-N 454.512 0.856 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810149111 WTNGNPKYBQXIRV-APWZRJJASA-N 453.551 0.702 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](O)N2CCOCC2)CC3)c(C#N)c1 1822809481 YQUJQTZALINYHD-AOMKIAJQSA-N 485.566 0.829 30 20 JCED N#CCCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824810095 ZZJGUIDHXGQULW-KWCYVHTRSA-N 476.584 0.539 30 20 JCED N=C1NCCN1CC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828572353 PUVRYFQPXYTSGH-AREMUKBSSA-N 492.580 0.692 30 20 JCED O=C1CC(C(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCN3C(=O)OCc3ccccc3)C2)=NN1 1828572358 PXORNDAYMAZGCV-RUZDIDTESA-N 477.521 0.728 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1828807976 BQJOBBUCAATSNE-XMMPIXPASA-N 494.508 0.927 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC3(O)CCCCC3)CC2)N1 1828945340 REASUJIYSZZJPE-OALUTQOASA-N 458.559 0.903 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCN2C(=O)OCc1ccccc1 1829183650 PHGWINDQFKWPOH-DEOSSOPVSA-N 496.476 0.321 30 20 JCED C[C@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3(C#N)CC3)C2)C1 1829224848 DKZPPYCBTLTAPV-UUOWRZLLSA-N 467.526 0.877 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)C1(O)CCC1)CCO2 1829748543 ZLBSLCDSRJALTM-YDIMBITNSA-N 493.601 0.911 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)CCO2)C1 1830886910 MFDOUSDHAVMGQK-ZJTDPSCFSA-N 471.576 0.340 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)ccc12 1831214969 FAPMRPWEZYLARQ-VWLOTQADSA-N 480.521 0.994 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=Cc4ccccc4NC(=O)C3)C2)C1 1831396504 NIUIYTMFSBKVPO-AVRWGWEMSA-N 467.522 0.907 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1831399253 UAIDLOCSPGXXBE-JPYJTQIMSA-N 453.499 0.376 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831402017 LMSBOTPZMKUGNM-JKDBKWGBSA-N 467.522 0.391 30 20 JCED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831519115 ZRNNGIITXUGPHK-RWAHWCJQSA-N 455.515 0.912 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1831998755 SHYSLAMGQUFOCG-SBUREZEXSA-N 493.561 0.846 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1cccs1 1833031903 RKQWQKKBQJLWJG-ROZQTZPBSA-N 494.570 0.463 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)CC2)CC1 1833075154 RXPYLJZEOFCVCA-ODNCXDDGSA-N 457.619 0.757 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)c1ccc(O)cc1 1835437894 PGVNGXXBAZMSON-CYFREDJKSA-N 457.527 0.434 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)cc1C#N 1835566420 GXKYLCOOCAOVNC-CYFREDJKSA-N 487.557 0.008 30 20 JCED COc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835675324 NPCFWVAWIJPKHT-XMMPIXPASA-N 473.574 0.761 30 20 JCED Cc1nn2cc(CC(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)nc2s1 1835675381 PNXYYAAWCHVELE-JOCHJYFZSA-N 489.602 0.380 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2)c1ccc(O)cc1 1836353819 MJTUSUVHHMWBLL-JPYJTQIMSA-N 453.499 0.778 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4Cc5ccccc5C4=O)CCO3)C2)CC1 1836590787 FKDYQHZBXVRSIJ-XMMPIXPASA-N 452.511 0.793 30 20 JCED Cn1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1Cl 1837443557 FWLSTAAJSIEWJB-NVAXRVGSSA-N 452.943 0.615 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)Cc1ccccc1NC3=O)CCO2 1838443539 VKWGPYYPEWVNMG-VWLOTQADSA-N 477.521 0.981 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1838471037 HBLPDOITHGKTFP-FQEVSTJZSA-N 465.457 0.612 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838582580 UHHVAUQGOAGTTQ-HJPURHCSSA-N 456.499 0.328 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839062024 XRWLLQIGZULWON-CJFMBICVSA-N 486.569 0.997 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1839171625 BVZWNDLMPZBRKH-OAQYLSRUSA-N 455.577 0.001 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1839185720 JITFCPDCNJNAMQ-NXMSCROESA-N 494.589 0.438 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839209409 VIZCUEYUHNUGRR-SGXKBVARSA-N 489.635 0.673 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)ON=C(C)C)CCO3)C2)cc1 1839222407 MONIGMNEAWXZHF-NYDSKATKSA-N 463.531 0.986 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CS(=O)(=O)N4CCCC4)C3)C2)cc1 1839362080 WKVVLXNQGLKQHF-HSZRJFAPSA-N 490.582 0.248 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)ccc1Br 1839400866 DOOXXDHQBYRBNM-LJQANCHMSA-N 490.318 0.077 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420128 PFHGDGOTQROUQM-QFIPXVFZSA-N 457.462 0.823 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1)N1CCN(C)CC1 1839424641 UMAHHPQYRFNRMY-KOSHJBKYSA-N 490.004 0.918 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=S)NCC)CCO3)C2)c(O)n1 1839653502 WXLHGFMIJQJLKT-HSZRJFAPSA-N 491.614 0.460 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ccc(Br)cc4c3=O)C2)C1 1839810428 WZPXFKCXIONCRX-OAQYLSRUSA-N 474.311 0.994 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)C1 1840043069 GNCXNTORRVNNGC-JOCHJYFZSA-N 472.885 0.888 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840294906 SHXITTBMUXIQIO-NTKDMRAZSA-N 481.590 0.912 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1840763376 YRAYBFLCIXWOGL-YADARESESA-N 487.557 0.862 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)NC=O)C3)C2)cc1C#N 1840763592 GLGNWPPBFDFHGU-SBUREZEXSA-N 458.515 0.550 30 20 JCED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819409 JNGRYAXYLCDKTH-HSZRJFAPSA-N 458.515 0.166 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1840913710 LTAZSJGSLZUKRD-PMYBCWHUSA-N 491.585 0.805 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CCOCCNC(=O)OC(C)(C)C)C1 1841515033 TWRAPEWNIJDUMF-FPLPWBNLSA-N 464.563 0.980 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2 1841602821 JCKLIQWAODXUDW-ZWKOTPCHSA-N 478.590 0.990 30 20 JCED O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259254 WPYIGNOSWPHBSI-ZMOGYAJESA-N 462.514 0.860 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1847069555 NMMGKIRPWPNARI-MRXNPFEDSA-N 460.491 0.911 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1847803732 ZWEAKRXMFYDYQV-BDXSIMOUSA-N 485.603 0.555 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848068386 HRMUHOYTMRHCHZ-ULQDDVLXSA-N 475.546 0.437 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 25965030 GJIUYWPRYIEGIG-UHFFFAOYSA-N 472.523 0.657 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480220671 RHPFVUQUOGDOTK-UHFFFAOYSA-N 455.536 0.889 30 20 JCED CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc21 485097542 ANESOXRFNJEUFG-UHFFFAOYSA-N 463.498 0.710 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 502578096 VTSJSFFCRAPNKO-UHFFFAOYSA-N 466.560 0.591 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc(F)c3F)c2=O)CC1 517389554 HTLBNJPVAPDJBB-UHFFFAOYSA-N 474.533 0.817 30 20 JCED CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 518073130 HXZXRYZNNHRWIC-UHFFFAOYSA-N 476.536 0.433 30 20 JCED COc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1OCC(=O)NC1CC1 604169003 PBOORFUZPDRQPT-UHFFFAOYSA-N 478.509 0.907 30 20 JCED COc1ccc(-c2nn(CCC#N)cc2C(=O)NCCS(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 748061131 MLUJCKXVKVMIQN-UHFFFAOYSA-N 492.514 0.772 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(-n3cnnn3)c2)CC1 749193394 ISIHKJKSSAFKJC-UHFFFAOYSA-N 481.494 0.224 30 20 JCED COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 821812973 WGUNJTXEYLCJOU-CQSZACIVSA-N 459.480 0.871 30 20 JCED CN1CCN(CCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 916705781 VCSOMYMOASVIHL-LYBHJNIJSA-N 464.592 0.192 30 20 JCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 916933064 MATQJZQHOMQNKX-ZDUSSCGKSA-N 454.443 0.189 30 20 JCED COC(=O)c1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 917272497 MUMKDUWRQIJQPB-UHFFFAOYSA-N 472.479 0.430 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(-c2ccccc2)c1=O 917356829 SYXHUKWEPNUSEK-UHFFFAOYSA-N 492.605 0.201 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1=O 917475257 IYIBFFVEHJKEBU-UHFFFAOYSA-N 464.526 0.369 30 20 JCED CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 918590368 KWLWCCBQYIKLHB-HNNXBMFYSA-N 457.530 0.071 30 20 JCED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1CCCCCC1=O 918817897 JUJCEBCOLCXYQN-UHFFFAOYSA-N 464.544 0.567 30 20 JCED CCN(C[C@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 918916141 XDEAHSLJAXOZCA-OAHLLOKOSA-N 450.517 0.643 30 20 JCED COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920106945 KFAKPMOZSXEYHB-RHSMWYFYSA-N 452.489 0.857 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1507869069 RETBDAYMYCOMJZ-DLBZAZTESA-N 475.015 0.522 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CC1 1515995044 WNCZUZMBFFQAJA-JGCGQSQUSA-N 455.588 0.986 30 20 JCED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1552891960 SAJFBLFGBHPMPS-UHFFFAOYSA-N 496.615 0.634 30 20 JCED CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1610091500 OZNSMURXQMVEOX-HNAYVOBHSA-N 453.569 0.266 30 20 JCED CCOC(=O)C1([S@](C)=O)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1627828295 OWSJRPWHMWCESL-MMEWPQADSA-N 455.558 0.528 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCS(C)(=O)=O 1729396784 LHKGXPMUIWOMFS-SFHVURJKSA-N 496.615 0.554 30 20 JCED CCCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1745796366 PONJGUPRZUGIJF-IBGZPJMESA-N 450.547 0.949 30 20 JCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)[C@H](C)C1 1749849307 IKUCQEIONYUAPG-MRXNPFEDSA-N 472.571 0.813 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1=O 1769923667 SRLGQCZYGSAPSO-HSZRJFAPSA-N 469.546 0.090 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1779199644 IDQTVIGDFSJAAB-AVLTWZJDSA-N 450.492 0.277 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779235546 CZDBIKJHLIZRIQ-HSZRJFAPSA-N 460.531 0.626 30 20 JCED N#Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=N)N)C3)ccc1Br 1781077198 XIRYZTBFZJOHNV-OXQOHEQNSA-N 477.363 0.931 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782665306 AONQMCTUOIPCJX-UUOWRZLLSA-N 489.573 0.933 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561762 KDQPJYMNUMIRTQ-XOBRGWDASA-N 471.457 0.549 30 20 JCED C[C@H]1[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCCN1C(=O)OC(C)(C)C 1783566015 VJFKMJPKUMABLQ-QQMNAOGKSA-N 463.531 0.940 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1 1784411560 KRHZVPUVNWDIGC-OKYOBFRVSA-N 478.590 0.799 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785688783 JXRMLYHJIYZCHO-GXZWQRSESA-N 453.467 0.252 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)N(C)C)C[C@@H]32)c(O)n1 1785772509 FEBDPGGYVHVVFW-SNRMKQJTSA-N 459.547 0.770 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1 1789808260 GMJWHABQJVOSAD-OMZCGLGVSA-N 461.559 0.607 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1790173734 MFEKDAUTZYDWAY-ZVVDCOBXSA-N 472.542 0.924 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1 1790848985 PNFFWVSYKGGSIT-XSLAGTTESA-N 450.536 0.019 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)[C@H]2OCC[C@H]21 1791066188 MZUZVEPWQPQKGC-YKPCMBIXSA-N 462.547 0.904 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793088239 XWHXJUOLAJDNCL-JCECYMMASA-N 470.567 0.653 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1793819912 FTBPDVFOHWROBI-UPHUGPLXSA-N 486.598 0.688 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)c1 1794111091 DVQHNMJWOPUDRV-ZUMXRPEOSA-N 452.471 0.096 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C3)c(O)n1 1794491272 ZPAUVGCFCCKGLO-WOSNLTMFSA-N 496.568 0.580 30 20 JCED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794504541 WHSWCTBFLWMYTM-CWPLJXCYSA-N 454.531 0.161 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ncccc12 1796278151 OFJRTZCQWCULLA-WQDJSCAQSA-N 482.541 0.849 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Cn1cncn1 1797894250 HKDSJSPAXIPRLH-ZSXDVEMLSA-N 476.578 0.973 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1799365572 KKANROOHLFESDO-VLVHOKLOSA-N 471.554 0.903 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1799390091 WJKJRXNUCSRNLW-KSWRQPAISA-N 456.540 0.263 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2)NC(=O)OC(C)(C)C 1801928110 KOMURCLTPHPWEU-WFNPHZEWSA-N 481.594 0.028 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cn3[nH]cnc(=O)c3c2C)[C@H]1c1cccnc1 1802488158 SDKQYKXRAUZCBU-KGPYNAKISA-N 489.536 0.904 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@@H](CNC(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)n(C)c1=O 1802684634 OIGHJRRUTXEIER-WMZOPIPTSA-N 492.540 0.084 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1cccnc1 1804229821 ROUKMCSJXQIWIP-HXOBKFHXSA-N 474.473 0.862 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC2(CCCN(C(=O)C(C)(C)NCCC#N)C2)CC1 1809777547 QKANWQWELBXWPU-HXUWFJFHSA-N 471.606 0.970 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2c2cccnc2)c1 1812392310 LPDWLNAZOJKDBE-DYESRHJHSA-N 479.493 0.824 30 20 JCED O=C(CN(CCO)CCO)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1812715261 ZZQHRTDBMLWARB-DHLKQENFSA-N 450.539 0.426 30 20 JCED O=C(CNCP(=O)(O)O)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1817235502 JJLLSEFBLZNEHS-OMPOGXFXSA-N 452.408 0.839 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1819456784 SHNSOOOWEGJHRW-YIEDCZLXSA-N 458.475 0.856 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)[C@@H]3C[C@H](O)CN3)CC4)c2c1 1823892292 ZHRUFPCWRQNOJS-MKBNYLNASA-N 451.512 0.840 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1829635374 FDEWQQKDEUCYGT-NRFANRHFSA-N 482.459 0.626 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C3)C2)C1 1829670656 HKKNJPYBAFJXLN-MBSDFSHPSA-N 467.563 0.685 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C3)C2)C1 1829675365 ZRRXQYVKUWOULQ-KOSHJBKYSA-N 495.573 0.865 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)c1=O 1829898395 BONSPAZIQHGEFY-DEOSSOPVSA-N 450.495 0.570 30 20 JCED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)cccc1=O 1830458800 ZJCIKWZYAMNJIN-VWLOTQADSA-N 464.522 0.960 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831012536 DJZKWHCDPFPLNS-SBUREZEXSA-N 496.561 0.364 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1831213743 WCPMOKBPVRZGNM-DEOSSOPVSA-N 476.493 0.054 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831328641 FBYYYXKYNLVKTH-VGSWGCGISA-N 478.571 0.150 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC=C)NC(=O)OC(C)(C)C)C2)C1 1831386543 HQCXIMFQRWDWNG-IMWIBFENSA-N 479.574 0.951 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(Cc3ccco3)C(=O)OCC)C2)C1 1831402473 IDHCSACBWLRIFS-YADARESESA-N 491.541 0.733 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1831997698 FDYYGWHAADNACN-VFNWGFHPSA-N 485.607 0.539 30 20 JCED O=C(c1nn[nH]c1C(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832192425 VNDFGAZRLNQWSC-CYBMUJFWSA-N 463.310 0.794 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1cccs1 1833031904 RKQWQKKBQJLWJG-VJIOCRDPSA-N 494.570 0.463 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)cc1 1833489026 PQSFWTOSZCJGFW-HSZRJFAPSA-N 465.466 0.359 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)c(C#N)c1 1834678796 GCRNMMYSJFQBTJ-UHFFFAOYSA-N 455.563 0.164 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835531490 QFVFOEBZOFTBDM-HWHXTQLESA-N 488.585 0.909 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1835765458 KCYROWHWMVQRBE-COATZDGTSA-N 463.579 0.613 30 20 JCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)N1CSCSC1 1835782457 TWBRJEUPENUSKW-HNNXBMFYSA-N 454.618 0.689 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1836376871 PJFJVUUUMHYDAM-FQEVSTJZSA-N 459.635 0.376 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1836473373 FJZCHTFHVSHOCU-CYFREDJKSA-N 488.541 0.514 30 20 JCED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c2c1CCC2 1837490974 HHGRNKGQKUGVQH-VWLOTQADSA-N 470.570 0.677 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1)c1ccccc1 1837613230 YOARKGLAFOVRFL-OFVILXPXSA-N 467.570 0.480 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838478056 ZAAKPDKINDIKTI-RNVZNFDCSA-N 476.486 0.409 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)CCO3)C2)C1 1838604030 GIYDTQUPEHVHIJ-HSZRJFAPSA-N 469.498 0.715 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)CCO2)C1 1839085243 CPPHZXBGBZVVNX-HVRFAWQISA-N 499.630 0.786 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132059 PSFPBNCTMGBBNK-AUSIDOKSSA-N 473.530 0.013 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)c1ccc(O)cc1 1839165559 OHCSQCGFQOKNIG-WXVUKLJWSA-N 457.527 0.480 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1839174928 FBPXALAMVXPSQS-HSZRJFAPSA-N 456.499 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1839176404 MZIWPNTVXQDYAZ-GBXCKJPGSA-N 460.527 0.556 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)ccc1F 1839187666 QFMSQFQGAMFSRX-QHCPKHFHSA-N 483.456 0.498 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839385663 DMBUBENGGOHREL-HYBUGGRVSA-N 473.526 0.338 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2)C(=O)O 1839442883 GVBAVOIYBPNWTG-LAUBAEHRSA-N 498.458 0.710 30 20 JCED CN(C)c1c(F)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1F 1839469498 QGTDPYAWZWTMSM-OAQYLSRUSA-N 451.426 0.189 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1)C(F)(F)F 1839891445 FXNMTWUGFPBQOO-LJQANCHMSA-N 456.421 0.386 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839989525 QQXGBHVGKJUBIW-XMMPIXPASA-N 488.541 0.918 30 20 JCED CC(C)[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N1Cc2ccccc2C1=O 1840039739 GHKMVZNRBWFBOE-WIOPSUGQSA-N 483.521 0.211 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)ccc3OC(F)(F)F)C2)C1 1840043164 HHOVSNISGLGNBC-IBGZPJMESA-N 474.363 0.882 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1840072055 SGLUGIJQPUGBNM-RTFZILSDSA-N 467.563 0.779 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840362971 ISJYJJOEGVVVLD-ZRNBDRQBSA-N 475.546 0.500 30 20 JCED Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840818651 OAKNGJAGEUEBQB-DEOSSOPVSA-N 467.526 0.907 30 20 JCED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn1 1840818791 XMSFHVIWCIDUPB-HSZRJFAPSA-N 451.483 0.806 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1840906898 LEPPFTBIWZGIDP-UZUQRXQVSA-N 463.531 0.339 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1840907274 SQXSHOHYCWAJHF-UZUQRXQVSA-N 491.545 0.294 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(C)(C)O)C2)C1 1840909442 SRTVEDYARUUOLA-SBUREZEXSA-N 467.563 0.520 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1840956445 XPBGESCUZXNQJC-XTVKVDEJSA-N 493.605 0.972 30 20 JCED CC(C)(C)OC(=O)N1CCc2c(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)ncn2CC1 1843815087 CIYCZHIJTOSTGE-UHFFFAOYSA-N 471.514 0.581 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1845210269 UQQLTQBMSVMXBU-QGZVFWFLSA-N 453.499 0.937 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncn2nc(N3CCOCC3)ccc12 1847813172 XAJDWQKICSGQPT-BZSNNMDCSA-N 454.531 0.972 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)O1 1847851421 CNUHWVCAELQFNX-VGWMRTNUSA-N 495.533 0.102 30 20 JCED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 18393425 LZTWZCXEVXYXCE-AWEZNQCLSA-N 452.514 0.844 30 20 JCED C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 18662711 KDAKJBZKEXSFHA-MAUKXSAKSA-N 497.595 0.536 30 20 JCED C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 19314421 CDOHKOPEPVQZNY-HSZRJFAPSA-N 499.524 0.997 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C)c1=O 500543693 GSABOPHFOZDGMI-HNNXBMFYSA-N 458.496 0.552 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCN(CC)CC2)n(CC)c1=O 500551457 GUOJMIJSBGXMTE-UHFFFAOYSA-N 485.566 0.904 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc3c2OCCO3)c1=O 515651492 RAMVJJGANKODMN-UHFFFAOYSA-N 498.605 0.288 30 20 JCED N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O 589157966 OHHQMAYPUWWMMQ-UHFFFAOYSA-N 469.425 0.788 30 20 JCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(N)=O 608911250 VSOIWAODYRZJNF-UHFFFAOYSA-N 486.506 0.583 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCN(C)c1ccccc1 726578665 JUFPSNSFGLSMGJ-SFHVURJKSA-N 494.621 0.824 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccc2c(c1)OCCO2 726785255 NJPJHMQMJRNVQA-UHFFFAOYSA-N 479.562 0.685 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCc2cccs2)CC1 727814601 JHUFTXOEFPDXTB-UHFFFAOYSA-N 482.635 0.615 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1 728534395 JPVUUNBNPSFPSU-UHFFFAOYSA-N 490.607 0.846 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCS(C)(=O)=O 729672865 MERYKYXLVIHWRC-UHFFFAOYSA-N 481.571 0.521 30 20 JCED N#C[C@H](C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1nnc(N2CCOCC2)n1-c1ccccc1 744938728 NGOKCWBGOAKQBY-GOSISDBHSA-N 479.522 0.778 30 20 JCED N#Cc1cnn(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1N 746888917 MKWSUXPANHINDJ-UHFFFAOYSA-N 450.908 0.944 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 839266867 LZFAGVQIUCHMGX-UHFFFAOYSA-N 465.535 0.393 30 20 JCED Cn1cc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)cc2)c(=O)n(C)c1=O 884229771 ABEXOFNIKJRSKE-YRYLYKBFSA-N 461.496 0.608 30 20 JCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 913374501 GSGLLGKBRPJVPE-UHFFFAOYSA-N 482.497 0.754 30 20 JCED Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915367530 BWIKFBRPCQWXSY-UHFFFAOYSA-N 461.500 0.333 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)o1 915376828 PJQNBPLCGBSFAG-NUEKZKHPSA-N 457.487 0.610 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N(C)C)o3)CC2)o1 915392720 LKZKCJUOUGDLBY-UHFFFAOYSA-N 451.461 0.204 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)c1 918271385 XHUWQGGHJFBPHY-BOLJVCIBSA-N 474.539 0.994 30 20 JCED CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918301062 HHHDMOSXHQWXRI-NKFKGCMQSA-N 463.560 0.765 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1 918408360 GMXIBWOCBPGKIJ-OQKWZONESA-N 450.517 0.803 30 20 JCED CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 919362245 VDMVXJDCLCXBOF-QGZVFWFLSA-N 467.548 0.641 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 1136596757 SPXLUJJSBJXRLU-MRXNPFEDSA-N 457.556 0.833 30 20 JCED CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1302462330 WNRVOUKMCCUGOT-QGZVFWFLSA-N 458.544 0.974 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCS(=O)(=O)C1 1314741205 LBBWKETUGLYCLI-OAQYLSRUSA-N 458.544 0.458 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2COCCO2)cc1 1316534017 LVARRLJTHAXUME-IBGZPJMESA-N 456.503 0.615 30 20 JCED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCNS(=O)(=O)c2ccccc2)CCO1 1505326752 ZBNHSWQNORZKIF-MRXNPFEDSA-N 459.532 0.108 30 20 JCED CC(C)NC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1541702833 UDIIOEUYTDSFDV-OAQYLSRUSA-N 466.590 0.896 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC(=O)N1CCOCC1 1611672560 ULFWVGAYQUVDAY-INIZCTEOSA-N 487.586 0.788 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCOC(C)(C)C1 1611706837 GOIZJJJXZDSQFT-AEFFLSMTSA-N 480.639 0.176 30 20 JCED CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1618359316 UZTNIWHCTBDTHH-QGZVFWFLSA-N 496.615 0.491 30 20 JCED CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1711420969 KZTZKVASXXFSKX-UHFFFAOYSA-N 470.559 0.871 30 20 JCED C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1723879391 QMKNZQYQKXXSLQ-QGZVFWFLSA-N 461.592 0.770 30 20 JCED CS(=O)(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750201962 MZXOYKNSCKLOGU-INIZCTEOSA-N 458.548 0.257 30 20 JCED C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1760363376 LNYKGFNLAGDMSZ-SFHVURJKSA-N 481.600 0.559 30 20 JCED Cc1n[nH]cc1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1761607838 WMWFIBCTZKFALZ-MAUKXSAKSA-N 461.596 0.729 30 20 JCED N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)F)CCN1C1CC1 1770746349 CQVRZKFLKIPPEW-CQSZACIVSA-N 459.461 0.483 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1778889180 ZJHXKKHYDFXFJS-ZGNKEGEESA-N 481.521 0.937 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1779236331 FBOGMEYIMUYHKO-HPTBBYBNSA-N 455.515 0.829 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1781169433 PWOUARYCQJBALP-UAKAABGRSA-N 478.590 0.236 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1781290834 JYOIFWZDWGQESH-KSFYIVLOSA-N 452.552 0.812 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781293621 WNMMQWAYQHVJKA-GAJHUEQPSA-N 457.483 0.467 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1781311292 QMSLFMSXNSMUPV-NRYAXDJKSA-N 472.542 0.822 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)ccc1Br 1781901970 AWJFAFDDJDAHGS-MGPUTAFESA-N 490.314 0.362 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1782670856 PSYRMHUWQWMICY-GAJHUEQPSA-N 456.547 0.312 30 20 JCED CC(C)(C)OC(=O)NCc1ccnc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783557192 IIUYOTMWUNTLDQ-HSZRJFAPSA-N 472.498 0.638 30 20 JCED CCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563873 DJNPCYCJHUDSIE-AOMKIAJQSA-N 483.587 0.941 30 20 JCED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C[C@@H]21 1783682093 ZIMWQZHUGDPKSZ-LNLFQRSKSA-N 481.557 0.709 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)CCO2)C1 1783901312 XRYUOEUEYVTWPB-IIBYNOLFSA-N 456.609 0.687 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1785451673 DVYANCYXPHHZQY-QATBIIFWSA-N 459.518 0.741 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785546975 VYCXFJICSFIKDH-OAQYLSRUSA-N 474.564 0.627 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1785596505 XXMJSICNIXOEJK-YKAGIRRDSA-N 461.519 0.162 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4)C[C@@H]32)CC1 1788248291 FQUQLBUSABATPX-FKBYEOEOSA-N 453.543 0.316 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1788569980 ILVHTDMEEZPFOA-QXCZDIPSSA-N 483.606 0.815 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1792257743 KYGLLXOSKXEOIM-BURNTYAHSA-N 491.633 0.130 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792829398 FWZPRZUYCFIULM-XAPVIXHLSA-N 486.569 0.966 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1)N1CCN(C)CC1 1792836969 AAOHOVYBOAYDCC-OYWYANMWSA-N 458.990 0.917 30 20 JCED C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CN(C(=O)OCc2ccccc2)C1 1797240270 MKJONNMDTVVYQJ-ZEWLNRLRSA-N 497.548 0.959 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC(=N)N)C2 1799233345 RXNFCARLVHXQDJ-KYHPRHEASA-N 481.619 0.899 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C(C)(C)C#N)C3)C2 1800324171 BSVPOWYQVLTCLF-XLMAVXFVSA-N 457.531 0.762 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O 1800541118 FIZSSKHBCFZHFW-RCLSDMTESA-N 478.590 0.799 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncnn2C)C3)N(C(=O)OC(C)(C)C)C1 1801100361 UBRIXMLAFSVZGJ-YVSFHVDLSA-N 460.535 0.584 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2)NC(=O)OC(C)(C)C 1801932117 QVUINYPCLPJINY-KAUDDPROSA-N 478.590 0.962 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)c1 1802107177 LLRIDTMGUIHOHT-HGKCTWBKSA-N 458.565 0.930 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCC)nn1)C2 1802125597 JEGNHQHAWLRRPE-AXVVYFOYSA-N 487.557 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@@H]1c1cccnc1 1802490915 VCLXDZOWSAZSPL-ADWLJLTJSA-N 494.508 0.716 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)cc1 1802578586 VZOOAQRHNHZBQN-UGKGYDQZSA-N 471.454 0.927 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)C[C@H]1CO2 1807749111 MHIUSXYPWMQQEW-AQSFXEJRSA-N 498.536 0.954 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1808433356 SDKYNKWNVOIUFH-BXWFABGCSA-N 457.487 0.195 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1812876400 KNOIOQPXPNZSPB-FDDCHVKYSA-N 469.519 0.958 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829232773 WMBPVPOOBVLCQH-DFBJGRDBSA-N 496.520 0.147 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1cccn1 1829333626 BJWHKJVSAMXVEI-UQBPGWFLSA-N 493.520 0.984 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCc3cccnc3)C2)C1 1829773470 KJOTWXFKMCYUGN-XXXZYALBSA-N 456.543 0.719 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c(Cl)c1 1829958965 CBNUXOHTCXKXGA-KSFYIVLOSA-N 460.918 0.808 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1830297353 YEVHPCRMJXLKIF-GSHUGGBRSA-N 455.552 0.947 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1830470629 ZRXFVAUBVLQBAI-QHCPKHFHSA-N 470.913 0.405 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)c1ccc(O)cc1 1831576332 NDQMAOUWVVHPDZ-VAXXYWNWSA-N 471.510 0.454 30 20 JCED CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832468264 HNEBDBNGNSPBHX-NVQXNPDNSA-N 483.613 0.781 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832531365 OOEZTWXCQKACHI-AVRWGWEMSA-N 483.521 0.167 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ncccc1OC)CCO2 1832855589 NDHKVNYBXFAABI-FFYIOULGSA-N 472.542 0.338 30 20 JCED O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)CN1 1833122992 OPXDXZBDRXSFBZ-IBGZPJMESA-N 458.603 0.783 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834330047 AZRPESVGVVLQTM-SBUREZEXSA-N 475.546 0.407 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834402576 SXGXMEYRRWWWTP-SFHVURJKSA-N 451.568 0.747 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)CC2=O)c1 1835339468 ONYPPDBVGKXSTB-AVRWGWEMSA-N 482.537 0.808 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)[C@@H](O)N5CCOCC5)CC4)CC3)c2c1 1835766532 MBULMPKJVRVXSM-RUZDIDTESA-N 495.584 0.270 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835891647 SEEXMOAHBSPSBG-DVECYGJZSA-N 480.606 0.748 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1836649226 WWMBVFZFTFBHHJ-UHFFFAOYSA-N 492.016 0.977 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1836769004 HNBMSVNJPXLRFL-VSDWSMLSSA-N 465.547 0.084 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cc(C)cnc34)CCO2)C1 1836947226 HLTVQBZHZDGMSB-FDDCHVKYSA-N 457.531 0.681 30 20 JCED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837241708 QHQMMRVHLDUPIE-JPZYQRIQSA-N 454.589 0.300 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837317936 DJQGKYBNDWFBAM-HXUWFJFHSA-N 476.448 0.247 30 20 JCED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n(C)n1 1837490630 JEWCFHPEUULXBK-XMMPIXPASA-N 458.559 0.751 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1 1837490713 MKJYPVFQLLVYGH-HSZRJFAPSA-N 458.515 0.254 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837527372 LZZQOSXNWCGNDE-FPULXPDJSA-N 469.926 0.522 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1837528193 AUTSZAHGGOOEOM-KKRXVXNVSA-N 450.467 0.820 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1837530676 OXCSNVJFUWTOSE-GTBXIFBCSA-N 492.485 0.899 30 20 JCED O=C(/C=C/c1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837533346 QLCOROVNOMIXJO-XQBFAVHXSA-N 459.503 0.475 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)c(C#N)c1 1838069666 CNMBPRDAJKENEU-JOCHJYFZSA-N 455.471 0.308 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838509127 KZEOHBPDCNIYEO-HRAATJIYSA-N 461.544 0.729 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2)C(F)(F)F 1839084473 DOLPMHWTCNAXQG-GUXCAODWSA-N 459.465 0.962 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(Br)c(F)c1)CCO2 1839803234 PUOSBGYAHKWCDL-FQEVSTJZSA-N 483.290 0.675 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1839839719 KLKOTMRLKPYMQV-VGSWGCGISA-N 465.572 0.908 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1OC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]31)CCO2 1840011314 SXNVWACFMPMOAQ-YASKCIBGSA-N 491.585 0.738 30 20 JCED CC(=O)c1ccc(OCCCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840040108 OGPQUSLRQSLVER-DEOSSOPVSA-N 472.494 0.593 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)CCO2 1840093045 IVXPCVSIYGCDOP-OAQYLSRUSA-N 498.989 0.769 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1840164292 FCKJIIWKFWLCCE-XBJPRQPRSA-N 469.604 0.874 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c(Cl)c1 1840359777 PZMLSWZXGPXKGB-NRFANRHFSA-N 458.906 0.963 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)cc1C#N 1840763130 JYYITNYYNQELIR-XMMPIXPASA-N 497.508 0.930 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1840913129 YSCBZIWOIWJKFW-UJUVCNOISA-N 477.518 0.609 30 20 JCED CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195348 FVKWRSXTRJONAV-OAHLLOKOSA-N 451.520 0.986 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846981225 ZKIYPFHVTJNYBV-LJQANCHMSA-N 450.499 0.611 30 20 JCED C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2=O 16775881 JTXULYWOQCYKOE-ZHRRBRCNSA-N 473.555 0.892 30 20 JCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 22393427 MLGYFDDSSNSMAX-HNNXBMFYSA-N 450.268 0.847 30 20 JCED COc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccsc3)c2=O)c1 489170501 LNFSBEWCRGANFJ-UHFFFAOYSA-N 496.614 0.921 30 20 JCED Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(=O)(=O)N(C)C 511252854 MMSACXAXIUVSLL-UHFFFAOYSA-N 456.528 0.799 30 20 JCED COCCNC(=O)CN1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 516843690 UIIIQWQBWXMRNC-UHFFFAOYSA-N 470.530 0.929 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C#N)c(Cl)c1 523258022 TULVRMFBFZXXSF-UHFFFAOYSA-N 450.911 0.963 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccc(OC)cc3)c2=O)cn1 523581180 QKUWTKPPBCGBSJ-OAHLLOKOSA-N 467.551 0.778 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 608889657 OTVANAWGRMTHOW-UHFFFAOYSA-N 469.523 0.813 30 20 JCED CN(CC(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 609228224 KFUQDJMXMRNKPS-UHFFFAOYSA-N 478.552 0.838 30 20 JCED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CC2CCN(S(C)(=O)=O)CC2)cn1 726110525 HGWNNNWSKBKUIV-HNNXBMFYSA-N 456.594 0.642 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 729437100 RWIXDRZVLSIPHH-OAHLLOKOSA-N 480.543 0.834 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCS(C)(=O)=O 729672005 ZJOILUCOPUEGAG-UHFFFAOYSA-N 471.963 0.775 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)c(C)c1 729673102 DVKPZEAFOPBEGY-UHFFFAOYSA-N 461.609 0.847 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1=O 732468207 GOGFXJNGCUKOER-UHFFFAOYSA-N 499.952 0.300 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 769746788 NPKNZPGZFSRECH-UHFFFAOYSA-N 462.509 0.668 30 20 JCED CCOc1ccccc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1296841880 RLVSGSVJHQRIHU-AZUAARDMSA-N 490.586 0.981 30 20 JCED Cn1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1314906904 VXGYGESLHIAKRE-PXNSSMCTSA-N 462.580 0.717 30 20 JCED CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1508819688 ZPZQFELWVOXQJB-UHFFFAOYSA-N 494.600 0.570 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cc(F)cc(F)c2)C1 1519564142 RBPMEMPPPBQXNL-MSOLQXFVSA-N 482.513 0.861 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1596675660 WHBMADZXBHQYQH-QGZVFWFLSA-N 495.462 0.749 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1741876962 IKKTZKNBLKVLRW-SFHVURJKSA-N 473.603 0.867 30 20 JCED CNS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1748297598 RJTIOAUUYCLZMB-GOSISDBHSA-N 495.613 0.989 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1770344709 VIAAYIRZYDWGLZ-INIZCTEOSA-N 464.573 0.333 30 20 JCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1778136964 YDIITYBJCCXPMC-NMMYMHLASA-N 470.526 0.892 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c(C#N)c1 1778853720 HFQLXHHHCXZZAX-JOCHJYFZSA-N 453.503 0.272 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778916951 PFIFERXXQVRFEJ-NTKDMRAZSA-N 485.589 0.426 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1778922218 YENYEXZFIAYYJN-SEPYTNNBSA-N 498.577 0.657 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779181299 ZVGIQHLXUWXKKN-OWJWWREXSA-N 488.508 0.487 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ncccn3n1)C2 1779394985 DFJMXXYIQPSWAJ-WZONZLPQSA-N 466.542 0.950 30 20 JCED COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc([N+](=O)[O-])c1OC 1781178248 QQELNIVJQXSLLR-VGOFRKELSA-N 475.454 0.828 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781252709 SVBJHCLRGZDKGI-PNLZDCPESA-N 452.552 0.810 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1781269197 DEQHDZSCLHQPCX-HSZRJFAPSA-N 455.467 0.774 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781859682 TXRIRDVLLAFHIR-DOWHCJKDSA-N 453.540 0.131 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cc(Br)ccc1[N+](=O)[O-])CCO2 1783558572 RPZOGSRAJFOPKL-IBGZPJMESA-N 480.271 0.818 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565247 KCUBOHISBLQHAA-WMZHIEFXSA-N 487.513 0.162 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2)c1ccc(O)cc1 1784015116 WIMUKAQTNMEEAW-MHECFPHRSA-N 468.510 0.271 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)[C@H]2C1 1784191865 LUTPVNAPYMVUDO-DEPCRRQNSA-N 479.574 0.640 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C[C@@H]21 1784482073 FGMMNHQFDZBIOS-FKSLSLAPSA-N 467.563 0.544 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784596738 DFNOSEHOTUPXOK-NRYAXDJKSA-N 497.556 0.935 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1785572587 NAIGBIXXKVFLOZ-CLOONOSVSA-N 499.568 0.558 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CS(C)(=O)=O)nc3)[C@H]2C1 1787251662 ROOMQFYSKXOIOR-FRYIKTPZSA-N 479.599 0.793 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)cn1 1787251725 TVTHBOCOYNROFC-FUNHSSOGSA-N 488.566 0.932 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@H]3C2)c(O)n1 1788470267 XQOWZLABASBLJW-CBJWQOIJSA-N 476.530 0.564 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)NCC)[C@H]2C1 1788569406 YGXZXRLZOYXEPG-SPOLIRPYSA-N 493.605 0.590 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1788604065 NPUANCPGTBPKBI-BNLGVGOFSA-N 453.547 0.723 30 20 JCED C[C@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1788724399 ICMVORVMQYGKGP-SAJDGTNDSA-N 452.515 0.845 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1789928125 JRXYMBLIQWYPHD-MTAPDOHYSA-N 495.621 0.714 30 20 JCED CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC1 1791073238 USGZKUUQNPEXPH-ULQDDVLXSA-N 481.521 0.793 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792110077 IEILZRCRBWFGSJ-PJVZLEMVSA-N 495.621 0.418 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCN(c3cc(NC4CC4)ncn3)C1)C2 1793344577 DJABIPNYTYBPIR-BORCDFBASA-N 496.612 0.895 30 20 JCED CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1793471173 LTHGGSFPRJEYLH-HGKCTWBKSA-N 452.515 0.800 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nc(C)no1)C2 1793595958 UOXAFUWPMJWTRF-YYAJDYIMSA-N 463.535 0.980 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794403378 BONHKWPOOLOQOC-GGXPGOJBSA-N 451.545 0.421 30 20 JCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)n(-c2cccc(=O)n2C)n1 1795933068 LLWXQZMAADJFFP-CWPLJXCYSA-N 450.499 0.386 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796783510 NBFBHZYOSCWHGV-HGJUEJDCSA-N 484.601 0.918 30 20 JCED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C(=O)C(=O)O 1799787001 QCBWKJKEDHMXRS-XOIINTDNSA-N 482.415 0.323 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)C1 1801052391 UKKOSALBXAWMPV-RVNGOIKDSA-N 483.565 1.000 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801443464 VCNLYYHNIBQTGG-LVZMMCSGSA-N 479.603 0.606 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN(C)C(C)=O)C2 1802124709 HVJSJPNFQIETMX-AJYBTWMASA-N 464.563 0.361 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819894083 UXCFVJFHCLVRIZ-VFNWGFHPSA-N 471.539 0.656 30 20 JCED Cc1cn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C(C)(C)NCCC#N)CC3)c(=O)nc1O 1827990375 RNLYALKTGOUDJO-CYBMUJFWSA-N 473.559 0.608 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCN2C(=O)OCc1ccccc1 1828506274 ZPYFTDIHXPQCHP-NTKDMRAZSA-N 452.511 0.598 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 1829460989 DSCAOXSYFSFJFO-HSZRJFAPSA-N 475.567 0.897 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)(F)F)c[nH]3)C2)C1 1829765974 CPIYJQSALXFSSF-XQQSMPNESA-N 470.448 0.962 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)cc1C#N 1830050698 WLLGUFUILNOPSL-DEOSSOPVSA-N 487.557 0.687 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C4CC(O)C4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1830589609 GXDVYVZPBDNNJX-AMJMATRHSA-N 479.574 0.779 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830606815 JLWFIPGSAMGOMX-UOKFIYJESA-N 477.558 0.891 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1831316315 AQYZJMYRDHNUHC-VGOFRKELSA-N 498.001 0.476 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(=O)OC(C)C)C2)C1 1831386523 HJOIKWGQOIAXQM-KOSHJBKYSA-N 473.526 0.755 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832521499 CROCQDFRISTNHN-IKKUEZTCSA-N 467.563 0.771 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832541982 BRVWXALRIGZIDB-MWTRTKDXSA-N 475.567 0.838 30 20 JCED O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccc[nH]1 1832879089 PZROHOMDZYNAFJ-OJLHXUGZSA-N 474.562 0.063 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565487 MMCPNOLDBNYQEV-HXUWFJFHSA-N 487.525 0.908 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1833599137 GKXNFFBHTOMWKA-JOCHJYFZSA-N 495.554 0.065 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c(C)c3F)CCO2)C1 1833676196 KNDFASSKBSISFK-MWTRTKDXSA-N 493.536 0.844 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1scnc1C1CC1)CCO2 1833725888 QYNAMOYGRXFBHX-QJKPHDSHSA-N 460.556 0.949 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(O)n2)CCO3)c(C#N)c1 1834193533 ICLMDYOKPXGQRB-DEOSSOPVSA-N 466.494 0.980 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)=O)CCO2)C1 1834720232 OBPWQCFYWNZWBL-JPYJTQIMSA-N 465.547 0.729 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1835350165 GXBIZVGVPIYNHH-QFIPXVFZSA-N 461.540 0.393 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835354510 MHBLXKSTBCBIPD-PNLZDCPESA-N 466.535 0.117 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835670232 XIONZXVAGACTLZ-UHFFFAOYSA-N 480.573 0.842 30 20 JCED COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835675373 PFEOHDSNEJLGNS-HSZRJFAPSA-N 459.547 0.371 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835769510 VYDIYWAZUMACOG-TUCSVVMZSA-N 487.561 0.290 30 20 JCED N#Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)cc1 1836287883 SFSHETOKLKJVOR-IBGZPJMESA-N 452.515 0.342 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4cc(F)ccc4n3)CCO2)C1 1836959264 JATWCMZIJAGPOQ-QHCPKHFHSA-N 472.521 0.825 30 20 JCED O=C(/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)NC1CC1 1837247625 XOQSNZQVFUJOLM-SINIUOCSSA-N 471.941 0.983 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cc2NC1=O 1837445192 IZZVPXXPKOWDTN-SVDRVRPESA-N 499.568 0.948 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837518833 RLMDZTILSCLLLW-JTHBVZDNSA-N 481.666 0.145 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837606463 UQTXTBGRNGPCKQ-BVZFJXPGSA-N 492.536 0.166 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1)c1ccccc1 1837614548 QELQWTWKKPSIQU-LLZJGCNPSA-N 485.581 0.291 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1837668762 UOTWVXDBNJBEOL-YKSBVNFPSA-N 475.590 0.906 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837693514 UVPATKLZSIHRRQ-UZUQRXQVSA-N 459.930 0.839 30 20 JCED N#CCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)cc1 1837841467 KWHMXWGHEYOCCQ-NRFANRHFSA-N 455.559 0.958 30 20 JCED COc1cncc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838732553 VKHYWLOEOBIFJD-QHCPKHFHSA-N 453.499 0.993 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)c1 1838907559 ZEUFGAXNBIYJAW-IBGZPJMESA-N 455.389 0.734 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnn6ncccc56)C4)C3)c2c1 1839487735 FWKSUECHFHHADJ-DEOSSOPVSA-N 486.492 0.861 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1)c1ccc(O)cc1 1839865690 PPVDISGUDDMZHZ-DVECYGJZSA-N 457.527 0.611 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c(C(F)(F)F)n1 1839869262 GGQZYLXNXQLPSM-RNODOKPDSA-N 481.431 0.178 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)nc3F)C2)C1 1840041172 WLBVBQYJJGDXMG-SFHVURJKSA-N 470.251 0.141 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049858 PHECTKZNAIFYDM-XWVBEDFJSA-N 451.520 0.539 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840075935 KIFKCKKFLNHLNF-VWLOTQADSA-N 489.569 0.627 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820518 UUJLYDPBPQUPSN-XMMPIXPASA-N 467.526 0.976 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1840821023 XAVCRLAVHZJCST-XMMPIXPASA-N 456.543 0.879 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCNC(=O)OC(C)(C)C)CCO2)C1 1840905408 HSMJGHCIOVSLEQ-JPYJTQIMSA-N 467.563 0.786 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1840908384 ANBQHZNYYXTKKO-DVECYGJZSA-N 489.573 0.565 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1840913467 ADKLTZLLONNSEV-SMGXNKOPSA-N 492.573 0.048 30 20 JCED CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1840928811 PTZMQNOUTQRSSH-VWLOTQADSA-N 461.603 0.873 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](COC)NC(C)=O)C2 1847069609 PVGTYYWWMFYBEQ-DLBZAZTESA-N 450.536 0.258 30 20 JCED C=CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 498018773 JKIJUFASKXSNFO-OAHLLOKOSA-N 468.601 0.958 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)c1 505960619 PSPRSRAKNIWBEW-QGZVFWFLSA-N 452.577 0.450 30 20 JCED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 514491584 YBVDIWNXPGQNAK-UHFFFAOYSA-N 474.564 0.933 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)c1=O 521799536 RXSXJTYCHQIBJV-UHFFFAOYSA-N 458.475 0.513 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2CCCSC)CC1 590996079 PBCXDDOBUNLHQJ-UHFFFAOYSA-N 457.625 0.725 30 20 JCED CCS(=O)(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 729559960 PZCCZLADZFIHSK-LVZFUZTISA-N 457.578 0.999 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCCc2ccccc2)c1 747007017 OKXBDBGCDRVMSS-OOAXWGSJSA-N 485.566 0.913 30 20 JCED Cn1ncc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C1CC1 747251113 DLEQBUCLESTGEA-UHFFFAOYSA-N 457.512 0.859 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)Cc2ccccc2)CC1 748727554 IZAKSJCRNILFFD-UHFFFAOYSA-N 484.534 0.293 30 20 JCED COc1cc([C@@H](C#N)NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc(OC)c1OC 750574954 IUKZNVMZRYRPBZ-DZGCQCFKSA-N 464.500 0.559 30 20 JCED Cc1nc(SCC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C#N)c(C)c1C 834313536 PHWCZXNCDICFPZ-KRWDZBQOSA-N 480.612 0.845 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 878407040 JPXOXWIVUBIKIL-DOTOQJQBSA-N 456.542 0.083 30 20 JCED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 913173821 QAJGQNVWCODPTK-HKUYNNGSSA-N 471.557 0.098 30 20 JCED C=CCn1c(SCC(=O)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)nnc1C1CC1 913534548 YSZYWNKSWLAYDF-UHFFFAOYSA-N 494.599 0.750 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 918246994 YVMWHFYQEQEGNB-PXLXIMEGSA-N 499.596 0.463 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCNC(=O)C(C)(C)C)CC2)c1C#N 1290577237 MGEPLOACVWPGLS-UHFFFAOYSA-N 484.609 0.819 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1298013831 XQWSGAAHORADJV-FQEVSTJZSA-N 485.614 0.994 30 20 JCED CC(=O)N1CCC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)C1 1301688329 UZSODPHJHARMII-MOPGFXCFSA-N 493.634 1.000 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1360136543 MMVFDHCSGOWGJC-IBGZPJMESA-N 495.650 0.586 30 20 JCED CNC(=O)COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1464037502 SMWVHOBDPZRLDL-UHFFFAOYSA-N 456.524 0.759 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CCOC)CC1 1515993804 INKCENBQNFVZRR-HSZRJFAPSA-N 455.563 0.862 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1541678959 NBHXRTCVNSOWII-INIZCTEOSA-N 461.548 0.444 30 20 JCED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)C2)nc1 1563909459 WDTCXYUDYUWMCJ-GOSISDBHSA-N 450.503 0.645 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705755217 OLEHNRCPRZJIQX-IRXDYDNUSA-N 475.015 0.665 30 20 JCED COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1711479681 ZUDPJGSHQQAANV-JOCHJYFZSA-N 455.519 0.684 30 20 JCED CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1728209457 XACHKPIQIQBZCB-BEFAXECRSA-N 453.569 0.267 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740739698 YCLPKSABAHQQKE-OCCSQVGLSA-N 458.386 0.973 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCC(=O)N(C)C 1743234431 KKMPBWLHNHWTNW-HOTGVXAUSA-N 466.550 0.474 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ncccn3n2)C1 1778588367 QOCSYWRGBSEDOZ-OPAMFIHVSA-N 456.503 0.761 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778790273 PEJCIOACVFTVMI-XCGNWRKASA-N 484.550 0.350 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)c1 1780173024 ROWWAWVBKCRSEX-HOYKHHGWSA-N 455.559 0.646 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781051786 TWJMCSPKDFFYKW-DIWPJMFTSA-N 464.563 0.009 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1781269780 MYRSRCPZDHBPNN-HXOBKFHXSA-N 483.562 0.601 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781295203 KJLXGTFCAYIOON-VFNWGFHPSA-N 451.520 0.750 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)ccc1Br 1781904339 IUPVSYDRIVAYJY-HXUWFJFHSA-N 490.314 0.316 30 20 JCED COc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)ccc1[N+](=O)[O-] 1782013822 OPLJUXLJEQTJLA-XMSQKQJNSA-N 459.455 0.748 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1782848775 HYKKTLQNHNWRBR-AVRDEDQJSA-N 458.519 0.988 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)CCO2 1783046865 WSWPAKFSYIFPAY-UQBPGWFLSA-N 490.601 0.550 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)cc(C(F)(F)F)c1 1783261389 KEVONYJVVHZFRR-OAQYLSRUSA-N 484.475 0.307 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(C)=O)C2 1783268106 ACNUOGHSDZZAQA-PMAPCBKXSA-N 464.563 0.553 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783558066 NNSOTINMGLXCDH-QQMNAOGKSA-N 463.531 0.988 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(O)cc1 1783565648 WODXYFYTMNDQHB-GBXCKJPGSA-N 487.509 0.876 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1783767827 DIBSWDJZQKNCTR-NTKDMRAZSA-N 479.622 0.533 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1783975952 RBNRZXAMYBAWGW-FQEVSTJZSA-N 452.433 0.999 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)N(C(=O)OC(C)(C)C)C1 1784087893 CFMWGGBZOCNKGR-PNLZDCPESA-N 475.550 0.630 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1784245847 QJRFBHFXWLBJEI-SIKLNZKXSA-N 460.556 0.892 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1784309833 BTSBJCJGNBZECS-VUMVONDWSA-N 489.573 0.714 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1785572062 HJKKZZISQPCZOG-HXOBKFHXSA-N 459.499 1.000 30 20 JCED CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785604673 LPTJNKBSYHXTGQ-AOMKIAJQSA-N 451.520 0.844 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786698499 PVELXXVYMUIPOG-YVSFHVDLSA-N 450.536 0.546 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787494487 LWJYVBIOQLSUSB-BRFLTPSNSA-N 476.599 0.467 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCN(C(C)=O)CC4)[C@H]3C2)c(C#N)c1 1788248770 VFAPWVUBKXMKHP-OYDLWJJNSA-N 497.596 0.253 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 1788658972 RRMBDURATCMKGX-CTLPRUSGSA-N 456.503 0.852 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327190 WEXXYFQCGXQXTH-BPODSCFKSA-N 452.515 0.895 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)C1 1791329678 FMCDKEREFOPGOH-ACTFIFLWSA-N 450.536 0.642 30 20 JCED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccccc4C#N)[C@H]3C2)cn2[nH]cnc(=O)c12 1792147068 FHPGIEFZOYYCQN-CUWPLCDZSA-N 490.520 0.875 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(c2cc(OC)ncn2)CC1 1793133178 ZUQSHNBUHAMYMA-NSAZKJPHSA-N 473.574 0.882 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(C(=O)OCC)ncn3c1)C2 1793342471 HDJMUOKUIGEDRM-BOLBYERCSA-N 468.510 0.753 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1793595988 VHBISHLOANLFFF-LOUJCGABSA-N 477.518 0.560 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793789424 OCYSDHWMTXNHTJ-LORHWOILSA-N 475.546 0.101 30 20 JCED COc1cc(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)CC2)ncn1 1795597550 MWGHKHPEPAMLOH-HATOLVCRSA-N 499.616 0.573 30 20 JCED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C2 1796044434 GSQDMXLTRAQTGT-BCDXTJNWSA-N 453.609 0.578 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c(-c3ccsc3)ccnc12 1796079234 HIYSZSLKEYZDIK-YVWYUNDQSA-N 465.491 0.749 30 20 JCED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H]1SC(=N)NC1=O 1796881337 TVSGPJNJSNBTJU-ZLQUDTIQSA-N 451.549 0.956 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2sc(C)cn2c1=O 1797063570 QKGQQHDRJDZNQU-JLVBRIDZSA-N 474.539 0.777 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1797784263 RNPUKFVAXDXHFW-BBIADKPPSA-N 484.549 0.738 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)CCC 1797930927 JAOWADVCACITGP-BFMVXSJESA-N 478.590 0.797 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1 1798466024 ZYXQCCVZFNSHJA-REPLKXPHSA-N 451.589 0.054 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccc(F)cc1 1799048039 SIIJIDOMGMLDMP-FQERERFUSA-N 472.517 0.392 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883062 GXQWNNBTDDMKRI-FRQROOTJSA-N 459.528 0.318 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)=NO2)C1 1801861021 UMNNWJNAYLGYKK-SAPPFGIOSA-N 474.514 0.869 30 20 JCED Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)c(=O)[nH]c1C 1801989319 KFAQUWAISIGIBX-XEMDLRDOSA-N 451.483 0.541 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)[C@H](C)CC)C2 1802125550 YZUKJPAWFZLGEK-NYLIBXOJSA-N 451.564 0.900 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N(C)CC)C2 1802128129 OSBRNMRRXSCGBB-UJWQCDCRSA-N 450.580 0.833 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C 1802159850 PTKCNAMWCHLUDH-DFGXFYAUSA-N 467.567 0.494 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1802481600 KTEKGKLRLMJTBH-CWZDDEHYSA-N 477.525 0.200 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1807125528 SFDFCNDCYVTMAL-MBOZVWFJSA-N 473.530 0.418 30 20 JCED C=CCC(F)(F)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816674363 PUQLOKRNORVWHQ-QMMMGPOBSA-N 450.431 0.706 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819451114 LBXIXGXEHVAEMA-CCMYJSEWSA-N 461.479 0.483 30 20 JCED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1823079459 MVQTUORJNZLRAU-QWRGUYRKSA-N 458.504 0.901 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCN2C(=O)OCc1ccccc1 1828634575 PCNMEUCUBMLQQW-RUZDIDTESA-N 493.520 0.882 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1829267411 XEJJCAWVFQXPFT-DEOSSOPVSA-N 477.477 0.874 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccoc4C3)C2)C1 1829762290 CJHQRFFGJIHINL-LVVLGITISA-N 457.527 0.699 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)c(C(=O)O)c(C)c3)C2)C1 1829771252 NJKZPTAOJKCFKK-ASYDGFSTSA-N 485.537 0.930 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)c3ccc(OC)cc3)CCO2)C1 1830218668 PTPKRHBALKLRFN-MZLICYQSSA-N 462.543 0.758 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830462735 KPUXZKFNXSUZFP-VHFIJRQBSA-N 454.527 0.987 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831200481 FYQRXWUERJTWCX-XMMPIXPASA-N 463.575 0.448 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831325635 YYSMMUPJPRQLJS-YCRPNKLZSA-N 498.989 0.609 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(NC(=O)OCc4ccccc4)CC3)C2)C1 1831392955 RRPCEKMNVHVXCI-CPJSRVTESA-N 499.564 0.940 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1831397614 TXMHWMAFPRBSTH-UZUQRXQVSA-N 459.499 0.367 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1832000373 NFNQBEYHQRHCTH-IXFSTUDKSA-N 464.563 0.440 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835066235 WMZDKWAHOOQIDE-OALUTQOASA-N 466.627 0.313 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CN)CC3)CC2)c(C(F)(F)F)n1 1835066262 NEOGVBPTANKKDS-KRWDZBQOSA-N 467.496 0.443 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835110857 ZCPWUYKVIHSTJO-DAYGRLMNSA-N 465.620 0.952 30 20 JCED Cn1ncc(I)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342027 ODWJFZBXSDQUCU-GOSISDBHSA-N 499.309 0.398 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCS(=O)(=O)c4ccccc4)C3)C2)CC1 1835342736 NZMDHOUNWLHDNZ-QFIPXVFZSA-N 461.540 0.611 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1835677167 KICYRTKUQFFEME-XMMPIXPASA-N 466.542 0.982 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1835677450 INWBRUOYTYHLIZ-HSZRJFAPSA-N 474.562 0.277 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1835677466 JJJSGRCSCKPIRS-DEOSSOPVSA-N 481.557 0.619 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)cc(C(F)(F)F)c1 1835748998 YDPQFNMKBRKEQE-LAUBAEHRSA-N 497.474 0.240 30 20 JCED CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835766206 XKTXHWUXFYIQCM-MNQDVBFDSA-N 466.583 0.358 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1)n1cncn1 1836520612 OCZJQNKEKNUUEK-MZSRDANUSA-N 459.528 0.796 30 20 JCED COc1cc(N2CCC(C(=O)N3CCC(OC4CCN(C(=O)C#CC(=O)O)CC4)CC3)CC2)ncn1 1836773920 ICHQAPMVHOTBLS-UHFFFAOYSA-N 499.568 0.788 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCN(C(=O)OC(C)(C)C)C3)CCO2 1836774847 MPNAVQDDEQUKBL-QHCPKHFHSA-N 473.530 0.337 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837170142 KECFPZVPCCXUCF-QFIPXVFZSA-N 457.487 0.309 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493737 VOZUQCKGXGBIJK-RUZDIDTESA-N 496.601 0.211 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563249 LXXIAQDAAAKOMD-IGPUNGKJSA-N 459.503 0.312 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)c1 1838579666 XOHNZIBFJAIQBO-VWLOTQADSA-N 493.520 0.462 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])c4c2OCO4)CCO3)c1 1838628390 BNQVQOOZRRQPGC-JOCHJYFZSA-N 483.437 0.907 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C(=O)OC)s3)CCO2)C1 1839034109 PQALGRAEIPMBED-OPAMFIHVSA-N 464.540 0.572 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1cccc(Br)c1)CCO2 1839055530 OQCHMPLORMCLIF-QUCCMNQESA-N 481.299 0.027 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)CCO2)C1 1839083335 QLWRYRVNGFQPGH-IECBHUPTSA-N 475.590 0.126 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)CCO2)C1 1839084302 WUYWBYHVNPAHBY-GKAYAJSDSA-N 464.563 0.645 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@]2(C)CCCN2)CCO3)c(C#N)c1 1839122941 NBCSRJSXRDDTCN-RPWUZVMVSA-N 456.543 0.708 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)c1ccc(O)cc1 1839165558 OHCSQCGFQOKNIG-WWEVIYMKSA-N 457.527 0.480 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1839176586 XDIFGOGEDLNWKG-XPPIMPSXSA-N 464.515 0.296 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)cc1 1839361487 NULAUUVQFCXZBK-QHCPKHFHSA-N 465.466 0.625 30 20 JCED C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCO2)C1 1839443622 QQENGDSLVXBGME-VLIAUNLRSA-N 468.432 0.782 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)CC#N)C3)C1)CN(C(=O)OC(C)(C)C)C2 1839620900 UPDSROZIGUNZRJ-QHCPKHFHSA-N 488.545 0.654 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)CC1 1839895681 OCDMQVNZYJWARK-QHCPKHFHSA-N 455.511 0.900 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1)c1ccc(O)cc1 1840220148 ABXMKHJVUQBLNY-LVXARBLLSA-N 494.548 0.603 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1840291336 NLQYDPKYIMYXGG-SEIBCYHCSA-N 485.581 0.816 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)ccc1F 1840410970 ZMLKIJGJAOLPIM-QHCPKHFHSA-N 469.473 0.565 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(N)=O)C3)C2)cc1C#N 1840763695 MXHDUGNIESKZQC-QHCPKHFHSA-N 458.515 0.681 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(=O)OC)cc3C)CCO2)C1 1840785500 MXYIUBASCLXWHP-KOSHJBKYSA-N 458.511 0.890 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C(=O)OCC)CC3)CCO2)C1 1840817703 QBCMMKRXCUIORY-DVECYGJZSA-N 481.590 0.884 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1840908838 IKLDAUKSSOZBFB-NXMSCROESA-N 492.573 0.050 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)O)C2 1844215422 DZNUTZPYHBWLRK-HUUCEWRRSA-N 454.524 0.376 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034473 WJTNNLMJJXAPSA-OAQYLSRUSA-N 488.585 0.348 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC=O)C2 1846365976 IFBVRVIMJVPCDS-HOTGVXAUSA-N 481.550 0.130 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 16557634 YXIUULDPGGINMR-UHFFFAOYSA-N 451.482 0.041 30 20 JCED C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C(C)C 503402485 AWTLNUKVHZJXMX-FQEVSTJZSA-N 456.657 0.504 30 20 JCED CN(CC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 503706999 ZCJQNCFTVHMCFI-UHFFFAOYSA-N 469.567 0.639 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)c2c(O)nc(=O)n(CCCC)c2N)C1=O 504704073 SOXNHDZTBUHENE-UHFFFAOYSA-N 482.497 0.841 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 518263066 OFCSGKXLIOEMAE-UHFFFAOYSA-N 483.506 0.152 30 20 JCED C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)CC1 552507762 HLXJLXZVYFMWOT-UHFFFAOYSA-N 482.563 0.140 30 20 JCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 604218941 OGGPLVFXUSFODI-UHFFFAOYSA-N 480.481 0.614 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OCCCC#N)c2)c1=O 608855608 SKYXVNVTKAGKHF-UHFFFAOYSA-N 479.562 0.462 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 608951851 YDHQGEYFQJVBFM-UHFFFAOYSA-N 472.571 0.931 30 20 JCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC2CCN(S(C)(=O)=O)CC2)C1=O 726401190 NZHHPIALSFDCBC-INIZCTEOSA-N 481.600 0.525 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)NC(C)(C)C)cc1 728144917 KYNHDQUVGLLQPK-JLPGSUDCSA-N 451.549 0.859 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)CC1 728534919 XLAKSWVEULDDQJ-UHFFFAOYSA-N 476.599 0.767 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCS(C)(=O)=O 729673464 QTSAKYZPERHEMK-UHFFFAOYSA-N 468.560 0.308 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCC(F)(F)F)cc2)c1=O 742531052 QHCXXIHZSXNESK-UHFFFAOYSA-N 497.495 0.859 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(Cl)c3)c(=O)n2CCOC)CC1 916200149 VNJPJWZVZLUAIA-UHFFFAOYSA-N 460.987 0.877 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1OC 916922741 FEJJZNROLHGPNA-OAHLLOKOSA-N 465.466 0.331 30 20 JCED Cn1cc(/C=C\C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O 917010281 AUSAXIQINSBUCB-FMYZQTRCSA-N 466.454 0.063 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCCc1ccccc1 1288826098 OOMXNYPVUBOZSV-QRWLVFNGSA-N 463.539 0.689 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC12CCOCC2 1301808610 GMVUPVRXYYJHGP-ZWKOTPCHSA-N 482.607 0.794 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1-n1cccn1 1303837530 YGARRDGUUYCANG-KUHUBIRLSA-N 459.511 0.959 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1303861472 FIPIFEVIQSPTLK-PKOBYXMFSA-N 494.666 0.300 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 1317808557 DUWJATFGYJTJQW-IBGZPJMESA-N 480.612 0.290 30 20 JCED C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539596389 LUJRWBWWAAPDFA-CQSZACIVSA-N 466.344 0.764 30 20 JCED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(=O)(=O)c2ccccc2)CC1 1620353354 JYCPNYJCIBJYOT-KRWDZBQOSA-N 478.600 0.899 30 20 JCED COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CCC(=O)N2CC(C#N)C2)CC1 1637795999 JFLDTAIPSVDUKK-UHFFFAOYSA-N 454.936 0.944 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1692784634 OJLGJUYXDZFLNQ-RDTXWAMCSA-N 458.610 0.843 30 20 JCED CS(=O)(=O)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712696569 FYFAWDPQVPFIMA-INIZCTEOSA-N 458.548 0.537 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1=O 1723780258 QFFGTSIPRLBBMY-IAGOWNOFSA-N 467.596 0.752 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CCOC)c2)CCO1 1767714171 YULBNGOUVWXKHF-IBGZPJMESA-N 450.503 0.659 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)ccc21 1777866566 VKDFIIXPANVRFF-ZTNDBTQUSA-N 485.541 0.850 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)cnc2c1 1777998068 BUZKRYWGJKXUPW-LUKVOKQUSA-N 483.525 0.975 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)ccc21 1779019422 PMPGFAPXFGGRGY-LPHATQMZSA-N 468.558 0.792 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779041388 CJZVVYKMTRBNMU-UZFJHSOTSA-N 495.646 0.770 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5nccnc5C(N)=O)C4)C3)c2c1 1779876158 FFTLSECVZNCRHH-JOCHJYFZSA-N 460.454 0.081 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)N2CCOCC2)C3)c1Cl 1780099332 MCVRGJCPIFHRQW-JMUQELJHSA-N 476.961 0.990 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780804584 USHXZNRVPATIER-FTFYGEEPSA-N 469.535 0.796 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)CCOC1 1781307989 GVWJGVSXRHYRFE-RPWUZVMVSA-N 493.605 0.782 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)CS(=O)(=O)N4CCCC4)CCO3)C2)c1 1781963621 OJCFYQYLOMCHJX-OAQYLSRUSA-N 464.519 0.566 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)c1ccc(O)cc1 1784019418 HBKOXQLFBNPCGP-NLFFAJNJSA-N 464.522 0.976 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1)n1cnnn1 1784595988 VVKYHNRWUWYHHM-KPZWWZAWSA-N 464.408 0.663 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4C(=O)C=CC4=O)[C@H]3C2)c(C#N)c1 1784804620 INEYTOJQJKKRKO-YYWHXJBOSA-N 480.521 0.404 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1785574471 LBKXLLNIMVENMW-LHSJRXKWSA-N 476.490 0.678 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3sc4nccnc4c3N)[C@H]2C1 1786948984 JCXZKXYFXFCOAE-LSFZBXBFSA-N 470.555 0.725 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)n(C)c(=O)n4C)[C@H]2C1 1787961911 LKVHJZKTDNGBTJ-WFXMLNOXSA-N 484.553 0.980 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)n4cncn4)C[C@@H]32)c(C#N)c1 1789842738 JLYNBSIKVIDODL-OQRYQMPQSA-N 452.515 0.942 30 20 JCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C[C@@H]32)CCC1 1792141438 NVBNGCDQHVQZSM-SZMVWBNQSA-N 466.498 0.966 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1792794137 QOJJKIDTCOMZOO-HFNNTQPYSA-N 481.615 0.651 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1793348284 LOPJFZZJKLLXKO-DMUMMCEESA-N 469.579 0.835 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)n1 1796720006 OQPOTSKZWWLEDP-VRSUEAKESA-N 460.491 0.673 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1797710991 PRULHZOHUXHYHQ-QEOTZNIISA-N 455.552 0.035 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2 1799232952 BDPLGTAWHGAFHC-XMTFNYHQSA-N 474.562 0.715 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2 1799321980 VNXLPMDCYPVLBX-UJMXGEILSA-N 496.605 0.587 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=S)NCC)c1ccc(O)cc1 1800186856 QMAWOTHSKLHHIV-XWQURZDVSA-N 472.611 0.963 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1800673045 QGFNDRIDSIXUHL-RFTGSIGZSA-N 454.524 0.630 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccsc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800781039 FCELYJOUCMXLRT-AXVVYFOYSA-N 491.566 0.862 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1802140920 XDZKQACFEKLJRZ-XSDDWTICSA-N 474.562 0.727 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1802187456 HRZUQWSBHDSMGN-UPHUGPLXSA-N 496.630 0.575 30 20 JCED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)cc1 1802575089 GRSOUIUIOYGKPI-XXBNENTESA-N 460.494 0.754 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1804188795 VJTMOKYIRVGSSN-ZEQUCSKPSA-N 452.471 0.351 30 20 JCED C#CC(=O)N1CC[C@H](CNC(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1807333954 PEADTVKQBXZAEK-QRWLVFNGSA-N 465.535 0.575 30 20 JCED O=C(NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807358130 WVMJNNYBRDHZST-FZTJRJCLSA-N 474.481 0.844 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1)[C@H](O)N1CCOCC1 1810354018 MYIZVZBMBIFSCB-DXZOSCPNSA-N 475.546 0.267 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)NC(=O)c2cnccn2)[C@H]1c1cccnc1 1810435737 FIFLEODBAGAEQV-RVRWZBRYSA-N 491.552 0.554 30 20 JCED CN(CC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1)C(=O)C(=O)O 1819777704 ARBLDBIBQOPZCF-QDBSGRMGSA-N 450.521 0.070 30 20 JCED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1820966427 HVMNGWYXZDKQLT-NVXWUHKLSA-N 468.580 0.933 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1823018161 PQACIZZTPRLVCL-DGCLKSJQSA-N 466.516 0.419 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=N/O[C@@H]3CCCCO3)CC2)N1 1828970863 QHCFZLDKYDXRTE-TYWMYEQJSA-N 463.535 0.733 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1829461315 ROIDYICSBRWAFP-HSZRJFAPSA-N 465.514 0.539 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccccc3OC)C2)C1 1829762395 IZGZFSDYFQQGKN-ZVDPHFIASA-N 471.554 0.943 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N(C)C)c3)C2)C1 1829769556 ZWNFCGNXQPPOEW-HMLKYZKVSA-N 456.543 0.681 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1829770561 YBNKTGACJZWCKW-XXGSHBOYSA-N 453.499 0.263 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1829907357 JQJOOTZNIOVSFN-KNQAVFIVSA-N 461.540 0.134 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)c4ccccc4o3)CCO2)C1 1830306019 DMLAJPVEEXHGQY-XDHUDOTRSA-N 454.479 0.901 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/C(=O)NCc4ccccc4)CCO3)C2)c1 1830677899 WVZATKDGHNOZGJ-ZHBSTKLQSA-N 477.521 0.829 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)(C)C 1831090061 XHWHNJGOCFZCIS-CELOQEIPSA-N 465.595 0.465 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216226 ZSADBLLPOTVROB-AXHZCLLHSA-N 477.558 0.227 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218054 JOKBHAFOHMKVHC-BXKMTCNYSA-N 457.502 0.814 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1831387337 OWIFPEBZFLOOOM-UZUQRXQVSA-N 471.489 0.515 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(Br)nc3)C2)C1 1831397003 NQRISZDYZICTNI-IIBYNOLFSA-N 480.359 0.881 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)C#CC(=O)O)CC2)[C@@H](O)C1 1831673947 ZRKNHKUHMCAASU-OTWHNJEPSA-N 477.558 0.922 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832819927 ZYLROGLLPOOKAP-YADARESESA-N 489.573 0.715 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(NC(C)=O)n1)CCO2 1833338694 WTOIHHKRDQRNRG-QHCPKHFHSA-N 474.514 0.619 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(F)(F)C(F)(F)C(=O)O)CC2)CC1 1833660182 GWNGWXPCUPLNTC-ZDUSSCGKSA-N 465.444 0.952 30 20 JCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1834518359 SNRUYNSVEQNVLC-UHFFFAOYSA-N 451.527 0.162 30 20 JCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1 1835047643 ULXDAPHHDLVYRO-IBGZPJMESA-N 450.580 0.857 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOC)CCO2)C1 1835240709 YVCMXIYRABSCPA-JTSKRJEESA-N 453.536 0.396 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCN1Cc3ccccc3C1=O)CCO2 1836591393 XDSMWJSEGQNDNX-MOLSVDMISA-N 497.596 0.961 30 20 JCED Cc1nn2cc(CC(=O)N3CCC(OC4CCN(C(=O)C#CC(=O)O)CC4)CC3)nc2s1 1837009696 UTSVBPCPHFLQQG-UHFFFAOYSA-N 459.528 0.728 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837195904 CDVKYYYHIHUQGZ-HNSFORISSA-N 472.502 0.557 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1837367689 SCSWJVWLXUKSCM-HJPURHCSSA-N 493.561 0.178 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(NC(C)=O)o1)CCO2 1837448620 PDPANFVRPUIBPL-GSRQWWPUSA-N 460.487 0.166 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1837493734 UZZVBSHAZDWITQ-XMMPIXPASA-N 461.559 0.154 30 20 JCED CC(C)n1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837528391 IPAPWSVGPAONPG-WEBAALOPSA-N 464.523 0.458 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837563484 MNGHCBOMNQHKRB-DBNSOCDESA-N 452.471 0.511 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2)NCc1ccco1 1837564179 BBYLDOKDRWZMAX-JCQVWYSLSA-N 484.509 0.621 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1837567292 CBFACDLAKDAUDZ-RCXBTSAPSA-N 455.515 0.683 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(=O)oc4)C3)C2)c1 1838580547 IZDNLLVYMAGBKO-HSZRJFAPSA-N 453.451 0.904 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838582629 WNXWXRVRCJVUAT-KCEHZKJRSA-N 463.556 0.796 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736187 PIXRLIGHIYEHKN-JPYJTQIMSA-N 491.545 0.496 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)c(C#N)c1 1839133083 ZUWBXJQGVWPXNO-FQRUVTKNSA-N 499.612 0.202 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1839176598 XKBXLOYSTJRDAE-XMMPIXPASA-N 484.509 0.915 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1839222870 CYVOLYVQGBTKEW-HRAATJIYSA-N 482.559 0.356 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1839226722 VPJIORPMHQROAX-SPLOXXLWSA-N 451.476 0.674 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839560611 AKUUFBNPJHCGEQ-XCUVTCGESA-N 471.514 0.933 30 20 JCED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839716731 YXOODHSGIUOGMF-HSZRJFAPSA-N 453.499 0.599 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839885731 OCEUBHNWWCNHGU-DVECYGJZSA-N 496.605 0.829 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@H]2C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840008295 FEEZFYCVMNXAIB-UUOWRZLLSA-N 492.573 0.630 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840077806 MIYWIZXGPBOFST-XMMPIXPASA-N 475.542 0.698 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CC(C)=O)CCO2 1840134335 VJQQQDWVXWKVNL-YIGJPRQDSA-N 479.574 0.975 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1840795445 IRXXGWOPYOQLQE-SBUREZEXSA-N 482.578 0.568 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840856883 CWZPHFSXCVNURT-NFBKMPQASA-N 460.506 0.633 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1840907513 XJVAAUNHLPXLAP-FHAGJXEFSA-N 492.617 0.844 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(C(=O)OC)cc3)CCO2)C1 1840957719 QKGIKDQZBVOFBI-MHECFPHRSA-N 474.510 0.347 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C2 1846196946 FNUNRFYUJBQHIL-UHFFFAOYSA-N 453.904 0.300 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC(C)=O)C2 1846366207 ZXORWGOXPBIKPL-WBVHZDCISA-N 495.577 0.520 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)C[C@@H](NC)C(=O)O)C3)N(C(=O)OC(C)(C)C)C1 1846449087 MRLPAHSVZQEBTJ-CVEARBPZSA-N 450.536 0.818 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1846561803 QDHGHBPCQCHETD-RBUKOAKNSA-N 486.573 0.577 30 20 JCED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2)NC(=O)OC(C)(C)C 1846933880 PCACLTSIGURUPW-HOTGVXAUSA-N 451.568 0.642 30 20 JCED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)CC2)cc1 19355027 YCYAUUPBHPEFRM-UHFFFAOYSA-N 457.512 0.468 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 490743874 GNXJISLRVBZCOH-UHFFFAOYSA-N 456.528 0.881 30 20 JCED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccnn3C)c2=O)c1 502062876 JFJJKPBDKAEQQY-UHFFFAOYSA-N 462.535 0.716 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCCC(=O)OC 514523241 AESWCLVOXTYYED-UHFFFAOYSA-N 458.496 0.800 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 515814288 ZBWLPXFEYHAFPW-UHFFFAOYSA-N 478.552 0.524 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(CC)cc2)c1=O 523476703 CHWMXFXCUYKEFJ-UHFFFAOYSA-N 484.622 0.460 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)c1 589156993 HXRDCESFIVNPGZ-UHFFFAOYSA-N 481.505 0.945 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cc1C 604270499 TYPQZWBWINQQEX-UHFFFAOYSA-N 456.568 0.590 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(C2CCN(C3CC3)CC2)C1=O 726403786 NDDDOXPVNZIGFZ-QAYQYMSWSA-N 479.628 0.897 30 20 JCED C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(=O)NCc1ccco1 744908116 LOPXJXJPYDOYKA-HUEFVVPSSA-N 475.527 0.852 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCN(C(=O)OCC)CC2)c1 753658217 OGNIJWRQYORATJ-UHFFFAOYSA-N 451.501 0.492 30 20 JCED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 913243239 QUPCHWQYXHILSU-QAPCUYQASA-N 450.517 0.128 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917783046 FUUIDICLCAHGNZ-UHFFFAOYSA-N 487.582 0.176 30 20 JCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 918269123 KPFAZRRAUJJQCI-UHFFFAOYSA-N 476.490 0.280 30 20 JCED COC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1504578798 JWBIAEJEQVQDGC-WMZOPIPTSA-N 477.591 0.748 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCCCCC2)C1 1555813359 NNSHIJAZEWXASN-DYESRHJHSA-N 497.597 0.846 30 20 JCED CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1618476426 XALVATHSURHSGI-IBGZPJMESA-N 471.587 0.604 30 20 JCED N#Cc1cc(Br)cc(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)c1 1661414150 MMGZBDVDHWBEDY-UHFFFAOYSA-N 454.393 0.978 30 20 JCED C[C@@H]1CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 1743341299 SWBHXKRFYXKFSK-WIRSXHRWSA-N 499.613 0.552 30 20 JCED C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1751145901 UABPJBMEWBXOFI-MJGOQNOKSA-N 481.623 0.462 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1)c1ccc(O)cc1 1778359762 XQIWFIMTLVSVFH-WNCULLNHSA-N 496.608 0.883 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO3)c1 1780167285 NFGKZUKAKIVAHW-YADARESESA-N 488.541 0.896 30 20 JCED CN(C)C(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1 1781206283 RZSSNBDLXMFCCG-WZONZLPQSA-N 467.530 0.833 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN(CCO)CCO)C3)c1 1782972747 BKMQNWKHQNLIAQ-OPJGWUQDSA-N 472.586 0.728 30 20 JCED C=C(Br)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCO2)C1 1783765697 RPPKJISLFAYJFT-DJJJIMSYSA-N 492.367 0.319 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CCO2 1783889131 QFPOTKMSOIOZCU-XSCGUKCZSA-N 477.649 0.797 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)CCO2 1785426417 YYRLWRHEZDMIIC-RUZDIDTESA-N 458.603 0.953 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)[C@H]2C1 1788093451 XUOLYYXBUKKFBQ-SSFAQJFESA-N 493.601 0.622 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)CNC4=O)C[C@@H]21 1788600929 LGRTVKRVBNRECK-BPQAAXRGSA-N 453.543 0.995 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1790174579 COZOKCUCQLJXSI-PELHAWKISA-N 484.550 0.338 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)[C@@H]1CCCS1(=O)=O 1790748377 XXQLZNGYOOGFOI-VJANTYMQSA-N 452.573 0.242 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C[C@@H]21 1792175240 ILSGVHOHGLHFKG-FJIDUMEYSA-N 465.547 0.836 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1792176249 YHAULLVMCBLATM-UFYCRDLUSA-N 462.591 0.932 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792560192 KEFOOOYSBVPWMW-HNJRGHQBSA-N 458.515 0.533 30 20 JCED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1792630256 IYPNNBRAWPLBBA-CWPLJXCYSA-N 454.531 0.161 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)C2 1793340356 TWECUKMFAZNKLS-XQPJFTJZSA-N 477.583 0.290 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794210635 SKIZIFKXQOKWJJ-CWQOZTLDSA-N 489.573 0.920 30 20 JCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599071 PHPCQIHLNLOXNM-OPVJXMOQSA-N 455.559 0.887 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1796445213 MFWWCEVNEALPLK-BPNQKZMOSA-N 490.563 0.542 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 1797297870 FIWNPLLMJNXVLD-ZDGQBVMCSA-N 490.601 0.937 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)[C@H](O)C1 1797310313 XJWOABCWNUWRTR-XSDDWTICSA-N 464.563 0.888 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)c21 1798428757 PIIGUBLBOVPOLD-JLVBRIDZSA-N 454.531 0.764 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)C1 1799195976 KIPZWXPAGKBLLC-HVJVJISESA-N 498.580 0.918 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccn1 1800203187 UFAQNLWUHOXRJB-LJCCNALRSA-N 458.515 0.299 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1ccco1 1801273625 CHMUWBXFNANXOE-DXEZIKHYSA-N 475.498 0.913 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cncn1 1801356710 ZQZGIXPOQPTHCP-DFBDCSAJSA-N 462.551 0.898 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c1 1801762721 LUWGIJXHGAAGLS-PJKMLTEKSA-N 483.550 0.982 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(N4CCCNC(=O)C4)n2)C3)CCC1 1801976870 MKDHIHQVRJPCIH-UPHUGPLXSA-N 466.542 0.305 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1814035150 DQDAHUSEQFDWPR-IMFGXOCKSA-N 453.499 0.397 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CNC(N)=O)[C@H]2c2cccnc2)c(C#N)c1 1814228446 SETHQBANUHSHMY-VGOFRKELSA-N 450.499 0.879 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814768118 QDHLVSZMAZWFRE-RYUKKXEOSA-N 475.464 0.309 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)NC(=O)OCC)sc2C1 1819470815 QMDNEKBUNQTVAI-GTNSWQLSSA-N 454.505 0.629 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)CC1 1826195679 XHUXMVZNNJSJHH-RURPWVQCSA-N 468.558 0.718 30 20 JCED NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1828964027 MSUUVMKGIBVFRK-RGXRWQALSA-N 470.574 0.869 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCN3CCN(C)CC3)C2)C1 1829262683 WHVUVRAWEBEDDK-AREMUKBSSA-N 481.597 0.709 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCCn3cccc3)C2)C1 1829770124 DWRCAUHFQAKOEQ-XXXZYALBSA-N 458.559 0.973 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468763 XJNUPZJVLLVPEJ-OFNKIYASSA-N 477.945 0.299 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c([N+](=O)[O-])c1 1831219070 QELYKSFQYNIOTM-HSZRJFAPSA-N 471.466 0.865 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC(=O)NC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1831280455 BNZNCTQDKHAYGU-SBUREZEXSA-N 480.562 0.145 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1831392160 JRLPGSAYIGWKNQ-LIRRHRJNSA-N 469.336 0.291 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 1831402623 MPYFWYWULWAUSE-LYXWCMDISA-N 479.574 0.784 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1831438498 SQVZXEKIQHRSSM-YTZAWJCFSA-N 495.573 0.960 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1831998141 JYUDWIFUXGOUQH-MWTRTKDXSA-N 491.545 0.722 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1832110711 VRCOVXWCWYDPMV-XMMPIXPASA-N 491.585 0.618 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832358345 YJLRNKRBAHVZTF-JVFUWBCBSA-N 477.602 0.807 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)CCO2 1833726221 WTTDLCNZVORKRK-SANMLTNESA-N 497.596 0.672 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)[C@H]2C1 1834768874 QMCCLBGOLMAVPQ-YTSMVRMISA-N 478.546 0.238 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835345078 BJTDNTSORNBPTP-HJPURHCSSA-N 458.490 0.704 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@H](N)C(N)=O)CCO2 1835742575 AGSGTOGZBCVKFB-PGRDOPGGSA-N 466.655 0.087 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1cccc1C=O 1835953775 GTQQGCKYARXIBO-JPYJTQIMSA-N 459.547 0.600 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)o1 1836019294 KREYPVXGCPGWSK-HSZRJFAPSA-N 453.499 0.881 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1837308874 CQIWLANTCAKJLM-MBSDFSHPSA-N 460.531 0.938 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1837401959 APEMGACTWZAYCE-XXBRFSHSSA-N 450.532 0.359 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1837443595 LGAWVJUZABUFMX-DGEAWOGYSA-N 454.531 0.876 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837485996 SUGKSYOISLRNFK-HOYKHHGWSA-N 480.525 0.684 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1837529099 PRJGRPGXDSCNKC-BVONVKGESA-N 475.546 0.818 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1837559980 GJAQMLSDIOFILP-AMFJNGDOSA-N 457.483 0.940 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838249398 UWEZIFUXKPKQKD-CWZGJQGVSA-N 450.467 0.820 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1838285263 JLHGOJSNTHBRKC-NRFANRHFSA-N 450.624 0.806 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C3)C2)c1 1838737912 FPFGRNLHNPTWRJ-HSZRJFAPSA-N 493.480 0.262 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)c(N(C)C)c3)CCO2)C1 1839114410 QSQOJKSUSXJCSV-HOYKHHGWSA-N 459.543 0.870 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1839223843 JLQJGCKWPFSBLV-YADARESESA-N 489.573 0.789 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(NC(C)=O)c1ccccc1F)CCO2 1839234183 XXGDXDGNFSHCLK-ZYKLXPEUSA-N 489.544 0.672 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1840077759 KNQCQJGUEAAVEK-DENIHFKCSA-N 473.567 0.313 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c([N+](=O)[O-])cc1O 1840162469 YEQCQQBJWPACHC-HXPMCKFVSA-N 455.489 0.697 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1)c1ccc(O)cc1 1840219425 NJHIRXOHOOYPFW-UZINWLIJSA-N 483.565 0.872 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1)c1ccc(O)cc1 1840221296 KJLFTWKUAPSHQI-NNPDTBDGSA-N 471.554 0.857 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnnn4C)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251569 MAFQSFWTOLFCJL-GAJHUEQPSA-N 490.561 0.451 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840909082 MIIMIWYBWPVCAK-HXOBKFHXSA-N 489.529 0.169 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCCC23CN(C(=O)C#Cc2ccccc2)C3)N1 1845873692 YIHVXGZRLKVPMY-RBUKOAKNSA-N 466.563 0.422 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)[C@@H]2OCCC[C@@H]2C1 1846197440 MLMKAPIHXDDYPD-FUHIMQAGSA-N 475.542 0.940 30 20 JCED CN1CCN(S(=O)(=O)c2ccc(N(C)CCCc3n[nH]c(N)c3C#N)c([N+](=O)[O-])c2)CC1 18052612 ZZEDBNJCYABEML-UHFFFAOYSA-N 462.536 0.777 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 18760853 OQVGMBSXPCOYQE-HJPURHCSSA-N 489.550 0.730 30 20 JCED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)c1 116389245 WLFSWMFNINYCLP-JOCHJYFZSA-N 470.507 0.672 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 515945050 INOVCMPIDWJKBM-UHFFFAOYSA-N 475.553 0.938 30 20 JCED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 521807719 ZEVVYZFBCTYGHN-QGZVFWFLSA-N 494.643 0.656 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 523088862 NMCXNCMPMDEYQV-UHFFFAOYSA-N 484.622 0.931 30 20 JCED CN(C)CCNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cocn2)C1=O 730723286 GEWNZKOYPUMNSO-OLRQPGBRSA-N 494.599 0.390 30 20 JCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 731126749 LUUCMHPCBZYJHG-CALCHBBNSA-N 464.544 0.135 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 916788550 FDWKRIIXKSCTQS-CQSZACIVSA-N 481.556 0.226 30 20 JCED COc1ccc(C(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c(OC)c1 918380963 CPPHGCVYESAVKX-UHFFFAOYSA-N 472.523 0.727 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1 918408361 GMXIBWOCBPGKIJ-XLNRJJMWSA-N 450.517 0.803 30 20 JCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)OCC(=O)N(CCC#N)CCC#N)CC2)c1 920613834 KTOOWLXAVOJVOJ-UHFFFAOYSA-N 461.544 0.646 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1288254634 LXTWZZGEMYVDCI-UHFFFAOYSA-N 482.589 0.900 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1302497390 VHCPZXWDRUQXTM-INIZCTEOSA-N 452.562 0.379 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCN(C)C1 1303863345 QKCBBDJXSFXZGW-JTSKRJEESA-N 488.618 0.153 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1518520140 PVPPJAZWQZEARF-IAGOWNOFSA-N 476.559 0.876 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCN(C)C)CC1 1541803662 KRIBBSBNXXDBOF-ICSRJNTNSA-N 496.682 0.623 30 20 JCED CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)N1CCOCC1 1611767218 JNPTXILGAJRHTI-PGRDOPGGSA-N 495.650 0.852 30 20 JCED CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCS(=O)(=O)N(C)C)CCN2C1=O 1748050997 UPUCRBRYAKPXGJ-KRWDZBQOSA-N 458.548 0.264 30 20 JCED CS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770362886 VCQHSBZZQSAHCD-KRWDZBQOSA-N 460.564 0.662 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778268570 YFNSJMSEKGMOQA-BTZRARBUSA-N 491.633 0.533 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)no1 1779062922 MWFWJFJJOLOHJS-QHCPKHFHSA-N 458.515 0.840 30 20 JCED CN(C)C(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779418194 REJQNVSHHIYVNX-UVIHBVCPSA-N 453.540 0.301 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1)c1ccc(O)cc1 1779879579 KFZJJXWLTVFLCJ-BVZFJXPGSA-N 477.521 0.922 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(C#N)c[nH]3)C2)CC1 1780180617 IKYZDORWONLGEQ-NFBKMPQASA-N 456.547 0.178 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781383660 MBEHOZYLIFTYFN-QHCPKHFHSA-N 454.564 0.706 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1781399913 GLOLWBNNCIADND-XFQAVAEZSA-N 456.540 0.503 30 20 JCED O=C(Cn1ccncc1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1781485381 NLIZTZHOBSANJQ-AUSIDOKSSA-N 456.543 0.456 30 20 JCED CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781786262 VJWQZRFOLQSDIB-LJQANCHMSA-N 488.440 0.640 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncn(C)n1)C2 1783268994 VIGXQIRHIHPPSH-YGKZAACZSA-N 474.562 0.859 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783443501 QXDGWECDERDJNU-VNYTWHDVSA-N 458.515 0.535 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1783765874 BRJNBOLEGIVUSG-VVBPWWLESA-N 468.551 0.348 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1)C(C)(C)S 1783778620 VZRWHVIWAKUWMT-FOIQADDNSA-N 493.648 0.463 30 20 JCED CC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783782236 RAOXDFQKTZQSOP-IIBYNOLFSA-N 472.608 0.554 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)CCO2 1783905815 RXGZCIMYLFLIFQ-XMMPIXPASA-N 453.543 0.655 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1)C(C)(C)S 1784041928 LPQRJVTXYHOJLL-QDOIMOTRSA-N 498.646 0.944 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)n4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089406 DUARTJUEKRIMMF-QMHKHESXSA-N 489.529 0.897 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1)NC(=O)OC(C)(C)C 1784601994 VDIKNEHWCBGZMA-HOIFWPIMSA-N 477.566 0.924 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]21 1784784744 SKNDHCKPQIBPQC-WRNCNIFXSA-N 466.579 0.960 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785518337 UHEBTFQMEQBNOL-HTAPYJJXSA-N 451.520 0.686 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1)c1ccc(O)cc1 1786900137 YKHSFNXSORYFMD-UMBQZNGKSA-N 471.554 0.932 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)[C@H]2C1 1789289436 NWISGTSFEJUNSQ-OAOQPFQOSA-N 459.455 0.955 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C34CCN(C(=O)OC(C)(C)C)CC4)[C@H]2C1 1791022220 WVGKRJXXOOHVAQ-OKYOBFRVSA-N 488.585 0.363 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791073225 SXMWVWWTQWIYPX-DFQYRXGOSA-N 493.557 0.062 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C[C@@H]21 1791263741 LINPKSBVAIYDEI-UITRFSOLSA-N 457.593 0.968 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)[C@@H](O)C1 1792449513 FULCPASHYJFKLU-ADHGMGHFSA-N 464.563 0.744 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C1 1792450212 FMMRNQHTQBKHTO-CQVUMHHCSA-N 475.586 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1cccc(Br)c1)C2 1792489828 XXJRQWJRLHPIBT-UFIVBPFWSA-N 492.370 0.931 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1793313635 ABWNLWYZIIGDFR-FRQROOTJSA-N 468.963 0.743 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13COC[C@@H]1CN(C(=O)OC(C)(C)C)C3)C2 1793341460 UQTKOPRLFFDDDV-HUHBNPCOSA-N 491.585 0.498 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CNC2=O)cc(C(F)(F)F)c1 1793763906 OTHXLTAWQHRDPK-ZSBFGKGUSA-N 479.415 0.332 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CC(=O)NC2=O)c(C(F)(F)F)n1 1794085358 BOVPGRXDPHHTQP-CLLJXQQHSA-N 464.404 0.776 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795277841 OYOOLYUQBVFTLH-VLVHOKLOSA-N 471.554 0.903 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)cn1 1796080287 HFPRRMWHNJCIBK-HGKCTWBKSA-N 457.512 0.343 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1C[C@H]2C[C@H]2C1 1797640420 YCZLQUXOKHRLHU-YICFOJQDSA-N 474.602 0.833 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1797708037 ABKYLMQJNCFZAA-CWQOZTLDSA-N 468.595 0.391 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1797784327 AAVODLLCLRPDBB-RMFSNUHRSA-N 495.536 0.580 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1798471586 PJFQZOVQVQWCLE-CXPHAPSRSA-N 453.492 0.648 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2 1799156018 FBHLXIHCLOOLIL-BCKAASPTSA-N 455.577 0.673 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)n(C(C)C)n1)C2 1799302740 LEVVCBJIMRXGHI-CCWDJLKJSA-N 462.503 0.875 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1799302756 MFFQOROXJHNSPK-HGKCTWBKSA-N 465.528 0.198 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1802125230 CEODVMRCQPFCCW-UKBAYJJMSA-N 485.541 0.526 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)COCCOCCOCCOC)[C@H]1c1cccnc1 1803553429 RDROIIKNUJHNPB-BKULYWANSA-N 491.585 0.822 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1804092040 XWDLGYINFSTEAS-BEKAPACXSA-N 472.502 0.168 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1807152023 YYEXBVFNJBTFAT-IPMKNSEASA-N 461.588 0.946 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1810359649 FGVOHGKDPGGNBH-GRDWHNLYSA-N 472.502 0.168 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CSc2nc[nH]n2)[C@H]1c1cccnc1 1813344318 JHZGHUNKZNGYDJ-FRWFVBGZSA-N 455.544 0.856 30 20 JCED CN[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1)C(=O)O 1817367132 FVNGPIBSHVWPFY-RBDRBDEXSA-N 450.496 0.994 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC1 1823748703 YWARKDCQSDDZRZ-BRYSGOQDSA-N 477.558 0.959 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cc1ccc(C#N)cc1)CC2)C(=O)C(=O)O 1824665907 RMQMWXNDRBPZBC-CQSZACIVSA-N 455.496 0.712 30 20 JCED COC(OC)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828564522 ODQZFJHJAOLABV-HSZRJFAPSA-N 473.482 0.145 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1828583521 JYFSYHRBVOGLKZ-UUOWRZLLSA-N 485.541 0.145 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1ccnn1 1829247103 NHSSMMFSBICBHA-HOYKHHGWSA-N 494.508 0.379 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncccc3OC)C2)C1 1829764849 XZOCTBQPDZFPPM-FFYIOULGSA-N 472.542 0.338 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1829771070 DBTKHKVQHPGEHT-POUSAUBHSA-N 468.510 0.110 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)ccc3-n3ccnn3)C2)C1 1829771267 OVLMLNLCHCDDAT-KBDOHKNDSA-N 494.552 0.504 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1830059704 JNFPHJHLVXOWCD-JOCHJYFZSA-N 470.486 0.298 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064559 NQJLMTWMHCVWSR-HJPURHCSSA-N 478.546 0.919 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830462734 KPUXZKFNXSUZFP-IRUWDQCASA-N 454.527 0.987 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO3)C1 1830881817 KVBXANDEKVAZCD-WZONZLPQSA-N 467.563 0.685 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C(C)(C)C 1831093657 MZSBSZRPYXJKLY-RCZVLFRGSA-N 486.569 0.944 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831192268 CKTUJXRBFJXYCI-UZUQRXQVSA-N 458.515 0.308 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1832004867 QGXKTGTVFKOWAI-YUWJWYLASA-N 475.608 0.689 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CC(=O)NC)CC2)CC1 1833441358 UPJPOCPUTUUNHJ-IBGZPJMESA-N 477.606 0.611 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4sccn34)CC2)CC1 1833466873 BBLMSWDTCCAZHH-MRXNPFEDSA-N 471.583 0.980 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnn(C)c4)C3)C2)c(O)n1 1833699632 GTVWVSPRDZIGFY-DEOSSOPVSA-N 469.542 0.952 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834877851 NAVYCZKDYUOVCN-LJQANCHMSA-N 488.593 0.161 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC(=O)N(Cc5ccccc5)C4)C3)C2)CC1 1835338267 CKKHUCWFWFJZTK-NLFFAJNJSA-N 466.538 0.795 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5c4CCc4ncccc4-5)C3)C2)CC1 1835345099 CQTJUVOWBGRUSH-XMMPIXPASA-N 462.510 0.944 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677145 JDLJKNYJXNKEJY-FQEVSTJZSA-N 497.394 0.534 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)o1 1835677449 IMEBKWJNWFANME-QFIPXVFZSA-N 461.519 0.590 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5c(n4)OCCO5)CCO3)C2)c1 1836470365 SCIVYMYYQPUMHP-QFIPXVFZSA-N 453.455 0.436 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837195917 CJYDJCSBZOJGAD-DBNSOCDESA-N 452.471 0.740 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837524496 IJLOFIWNRBAFRX-UEVPCVAJSA-N 462.503 0.446 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837658800 ZUUVYDZWLGBECD-KOSHJBKYSA-N 476.574 0.316 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C(=O)OC)s1)CCO2 1839033895 DUMYHRHHKWHDLM-FUMRIQNTSA-N 491.566 0.392 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CC34CCCN3CCC4)CCO2)C1 1839117623 XRKWMOFCJBWHNM-XMMPIXPASA-N 461.607 0.743 30 20 JCED Cc1cccc(C)c1NC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839157051 HHSIKCCCNJKDOR-VWLOTQADSA-N 485.585 0.980 30 20 JCED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839188051 IXGSONOFRQUZJY-SIKLNZKXSA-N 465.547 0.810 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2ccnn2)CCO3)c1 1839709542 KRERWCCDFNYOCA-OPAMFIHVSA-N 454.487 0.490 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1839738093 JRZACHYKGGKCRI-ORAYPTAESA-N 455.437 0.903 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839773815 OPVJVMCRBBVIFO-KNUDPRRNSA-N 495.573 0.905 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(OC)CN(C(=O)OC(C)(C)C)C3)C2)C1 1839808369 OVEDUPPPFLBMJS-QFIPXVFZSA-N 451.520 0.102 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839894123 JOQCDPLRMCZOLC-YWZLYKJASA-N 495.495 0.837 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840059955 XGGWMJOPIJAZAY-YTZAWJCFSA-N 492.573 0.507 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1840170539 MUPRBJIDDCTFNQ-HOYKHHGWSA-N 495.573 0.703 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CSc5nc[nH]n5)CCO4)C3)c2c1 1840381126 CLTPGGHCNGPVFK-NRFANRHFSA-N 482.526 0.415 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819590 UUGJYRQJWPYKTN-XMMPIXPASA-N 483.525 0.550 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)CCO2)C1 1840856205 IGHDGAZTIBCGDA-WSUBETFTSA-N 491.560 0.920 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840896167 KAPXMSNZNJUOLS-JOCHJYFZSA-N 473.576 0.355 30 20 JCED C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 18662712 KDAKJBZKEXSFHA-QAPCUYQASA-N 497.595 0.536 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1=O 498472575 KZOYPAJPAKATJX-UHFFFAOYSA-N 477.403 0.782 30 20 JCED CC(C)(C)c1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cs1 517986622 IJHJSCQPYJIUML-UHFFFAOYSA-N 487.651 0.950 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cc(C(=O)OC)c(C)o3)c2=O)cn1 523864888 HPAKIPHHBKKOFU-UHFFFAOYSA-N 497.533 0.165 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(C)(C)CN(C)C 608911661 DIOKXHZMDSTSGS-UHFFFAOYSA-N 487.582 0.671 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 726597329 HLNOWYBDEVWXGM-WMZOPIPTSA-N 482.628 0.471 30 20 JCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CCNS(=O)(=O)c1cccnc1 726996433 KGACNAOWFIVNLF-UHFFFAOYSA-N 454.468 0.989 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CCC(N)=O)C2)cc1 727231395 KPOBGGHWNULXTK-TZBHCYISSA-N 463.560 0.942 30 20 JCED N#Cc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 746553601 FBHYGTAGQJKEPK-UHFFFAOYSA-N 459.480 0.857 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 837286611 YZKOXTBGSKCMQE-UHFFFAOYSA-N 490.589 0.233 30 20 JCED Cn1cc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)cc2)c(=O)n(C)c1=O 884229770 ABEXOFNIKJRSKE-VGMNTSGFSA-N 461.496 0.608 30 20 JCED N#CCCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 912685003 OBSBIBJAWPQRFA-UHFFFAOYSA-N 470.507 0.911 30 20 JCED N#C[C@H](C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917012581 AGPCRMJYAAUSDY-ZQWRCKPKSA-N 477.477 0.759 30 20 JCED CCS(=O)(=O)NCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1314563557 YFHZEXVBVFOTCV-HNNXBMFYSA-N 461.596 0.892 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1503840376 VVQOEWWUBPEHOK-UHFFFAOYSA-N 487.586 0.727 30 20 JCED COc1cc(C)cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1517948795 MBSFJJWDPIXWIK-OALUTQOASA-N 476.559 0.705 30 20 JCED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1552456194 LZBVQZCTHDGNBO-PSTIOWGYSA-N 460.560 0.839 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(C)=O)C1 1589404536 KNCLUZYFKWWRLY-CABCVRRESA-N 491.412 0.625 30 20 JCED Cn1cc([C@@]2(C)CN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)CCO2)cn1 1696850045 TXEGEDIDIIVTLX-OAQYLSRUSA-N 470.559 0.851 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1731018845 OVMJKEBCQTUXRG-UHFFFAOYSA-N 457.560 0.815 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1743383546 LPKWOLKSERXQNC-GAJHUEQPSA-N 453.547 0.567 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1768246090 QRMHLUVGXDNVRO-UHFFFAOYSA-N 452.562 0.333 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC3(O)CCCCC3)C2)CC1 1779397709 SMGTULDRJUYZBS-RCZVLFRGSA-N 488.629 0.363 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)ccc1Br 1781902149 AMOXQSPOAVNRLE-FQEVSTJZSA-N 475.347 0.604 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1783766510 YSRTWIXVYUUOLY-DRSNIGMVSA-N 487.619 0.966 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1785572757 PLBGQQYPKSCJLW-OSPHWJPCSA-N 487.557 0.747 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)n1 1787749752 QIVVKMHZYKPONH-ZOBUZTSGSA-N 474.518 0.874 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1788591706 VNFAVZTXUMXJKU-FJIDUMEYSA-N 462.623 0.615 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C[C@@H]32)c1 1789346407 RMYBJIJSVXDOPW-MPGHIAIKSA-N 454.443 0.250 30 20 JCED CC(C)N(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C(=O)OC(C)(C)C 1791072788 BTMWQGQMXUQKIU-ULQDDVLXSA-N 451.520 0.700 30 20 JCED CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1792773716 OGKOKOGNEZHMOO-WEMPKCCASA-N 471.510 0.759 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)[C@@H](O)C1 1795417867 IXDGFSLWEGSBKC-JMEXBRRFSA-N 464.563 0.888 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)c1 1796440969 CETBRDURIIJTOY-CEQLMSFQSA-N 460.556 0.496 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)c1nc2c(=O)[nH]c3ccccc3n2n1 1797104112 FBALAOLKCQWNLC-OPMZPASUSA-N 482.500 0.826 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1797811841 ZARYFZPKKFIFTQ-QEDNUZOQSA-N 487.557 0.650 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)C#N)C4)C[C@H]1CO2 1799152812 LPYYJAWGZHVFLD-TURABVPUSA-N 462.547 0.904 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2)C(C)C 1799385095 CIZHVZLIVKJQKE-IYYNEKPFSA-N 484.619 0.266 30 20 JCED CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2C1 1799885570 OKRGCWIPLGDAHA-FAQVEIGNSA-N 488.552 0.984 30 20 JCED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1800495959 YGISKIUARTZLSM-KCYAQADSSA-N 452.552 0.557 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1800807918 DNCPMBOLMXJUQK-YCOHNSLCSA-N 482.578 0.747 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2)c1ccc(O)cc1 1801058798 VZEDOPTZPXVOJP-UHYQSWOWSA-N 465.506 0.404 30 20 JCED O=C1CN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=N/O[C@H]3CCCCO3)[nH]n2)C(=O)N1 1815668554 XDVGCFSKKIPZHV-RUEBRPKVSA-N 461.479 0.483 30 20 JCED O=C1CN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)C(=O)N1 1824972452 UZFCHVOWCGOORD-JPFMVSBKSA-N 463.535 0.687 30 20 JCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)CC1 1827303429 QXRXFDXITACAKS-LJQANCHMSA-N 494.552 0.887 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1829260704 BTPJHPRFOWRACJ-CYFREDJKSA-N 452.511 0.598 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1829765561 ZPKHXLBTVOZKEH-BNOLWBGWSA-N 488.932 0.540 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1829770498 UPIXWPFGTOJMPD-IBLIISRWSA-N 465.510 0.558 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc(Cl)c3OC)C2)C1 1831397493 RSDJNBJCVBNWMZ-YCRPNKLZSA-N 451.907 0.852 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1831998462 NESXZVYFRZBRNX-MHECFPHRSA-N 489.573 0.945 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833205714 WKLLZZKTFNQPQM-HNNXBMFYSA-N 450.536 0.559 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833238186 HRGWBUJVZCVDSU-FQEVSTJZSA-N 485.972 0.861 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3C(=O)OC(C)C)CCO2)C1 1833393309 OHRYKZHGLPWWOB-MHECFPHRSA-N 473.526 0.755 30 20 JCED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cc1O 1833409349 HVCWHQFQOWSPHV-JOCHJYFZSA-N 465.470 0.257 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CC(=O)Nc3cc(C)on3)CC2)CC1 1833465706 QBCOGNUXRPWXOR-KRWDZBQOSA-N 459.547 0.922 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4noc(C)n4)C3)C2)c(O)n1 1833696844 PZDKRPUTSOUWGL-QHCPKHFHSA-N 471.514 0.910 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)c(O)n1 1833700215 RTPWKZBLDURSBV-JOCHJYFZSA-N 479.555 0.794 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833785048 BQHSNYXWIUDEEL-UHFFFAOYSA-N 474.566 0.645 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834768718 LMZLGJZOUSGFJP-KTXJPYHWSA-N 492.573 0.628 30 20 JCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)N1CCN(C)CC1 1836374369 XAWOJMUYNMGNME-YYLZNNKQSA-N 492.665 0.723 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1836380891 LBYNFUPUOHXNTB-JOCHJYFZSA-N 487.538 0.210 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837135358 GBFMSNSFZLSAOV-DEOSSOPVSA-N 471.510 0.874 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837150370 PNEVHLOCOSVXHE-NTKDMRAZSA-N 457.527 0.573 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(C)(C)C 1837440230 GMWHSRSYIHGMBY-HNQIHDJFSA-N 465.595 0.465 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c(O)c1 1837445310 PCOCXMMWGOKMMP-RZZUAFPKSA-N 460.531 0.943 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1837527083 JPDVMHDCBRRROS-XKUSAJHISA-N 475.546 0.888 30 20 JCED NC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cc1 1837532240 ASCCADSRQNGUBG-SJAQWOJPSA-N 474.514 0.385 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1838357639 JIRTXVUWJGLTNW-ROUUACIJSA-N 455.552 0.623 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccnnc4O)CCO3)C2)c(O)n1 1838367876 SVSYKSUNZZLECM-QHCPKHFHSA-N 469.498 0.785 30 20 JCED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c(O)n1 1838671485 KRZNBAAUERLYFD-ICILYHDOSA-N 462.503 0.695 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)Nc1c(C)cccc1C)CCO2 1839156267 KAAZSZVYDFDUKY-KWQGRVAKSA-N 484.553 0.557 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839274305 REXBUXZBEKBYJF-XMSQKQJNSA-N 463.487 0.944 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1839388155 IEMVXZBYAGJGIG-LIRRHRJNSA-N 463.478 0.497 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)cc1 1839649551 XIQJMRGORZBYBA-XMMPIXPASA-N 465.510 0.686 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)c1 1839718769 MBENBPGRFDFXLN-XMMPIXPASA-N 495.492 0.707 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839771998 LTFIZCACONBXPZ-ACTFIFLWSA-N 453.511 0.717 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccc(Cl)cc3)CCOCC1)CCO2 1839805784 YXHXTSCPEGTHQR-HSZRJFAPSA-N 490.940 0.933 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1840158797 QFQAMMOTQXTOFV-JXFKEZNVSA-N 456.586 0.625 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840169348 ZERITLXEYIVQKV-KHCICDEESA-N 479.574 0.474 30 20 JCED Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840388298 QLETZTBOXACAEH-DZQSVEARSA-N 460.579 0.900 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1 1840713729 HOXHXYQFNLDHBP-CMJOXMDJSA-N 467.482 0.899 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1840820199 DPEDTESBVUMYCZ-DEOSSOPVSA-N 465.510 0.850 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn3C)C2)C1 1840912493 JWPAMXOXHAOAOE-UOKFIYJESA-N 489.573 0.960 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842946651 VXOVVGODKDLVKJ-JKSUJKDBSA-N 451.568 0.642 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N1CCCC13CN(C(=O)CC#N)C3)CCS2(=O)=O 1846141144 AAFMWBOVQPAPLC-OAHLLOKOSA-N 466.560 0.528 30 20 JCED C[C@H](C(=O)N1CCCC12CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2)n1cnnn1 1846647453 YQHSDICUJVDVBP-MRXNPFEDSA-N 472.550 0.978 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1847262105 NBKRNXRFSKXITM-ANSOXZBUSA-N 476.574 0.665 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 109261711 KCVXOROTGVCQFA-UHFFFAOYSA-N 466.497 0.215 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C(F)(F)F)cc2)c1=O 480250675 KLUPGEOUHITEKL-UHFFFAOYSA-N 480.512 0.900 30 20 JCED CCc1ccccc1-n1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccnn2C)c1=O 502059867 ZBRIDVJRZZRIOU-HNNXBMFYSA-N 451.552 0.849 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)cc1 505945175 YKEUWJWJODTPIF-KRWDZBQOSA-N 452.577 0.450 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1OC 507090425 YHWQEIAXNYNIQV-UHFFFAOYSA-N 459.524 0.225 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)c(C)cc2C)c1=O 590985348 ISUZTOYYASWTFP-UHFFFAOYSA-N 454.596 0.806 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CC1 728536254 QDCDJTJKQJEJTL-UHFFFAOYSA-N 476.599 0.767 30 20 JCED COc1ccc(NC(=O)COC(=O)c2ccc(C#N)cn2)cc1S(=O)(=O)N1CCOCC1 730893583 YAFCNDMKDCBWEH-UHFFFAOYSA-N 460.468 0.778 30 20 JCED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O 750962808 SBZYFYCZJFXICO-QHCPKHFHSA-N 499.524 0.997 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1 811834735 XOFFTVFKUJGKDE-UHFFFAOYSA-N 478.548 0.730 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(NC(C)=O)c1 913151380 FYHZHTAFSFJWPF-AWEZNQCLSA-N 480.550 0.245 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)o1 914684568 KUUKPEJNCYHFHQ-UHFFFAOYSA-N 486.510 0.175 30 20 JCED COCCCNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 916874900 HNFOUFWNBHCSGA-GOSISDBHSA-N 498.989 0.815 30 20 JCED CNC(=O)Cn1cc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)cn1 918452283 PVFAPZKRVHTFMW-NLRVBDNBSA-N 489.558 0.799 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1 918591917 GRXJTXVKHZRCMA-UHFFFAOYSA-N 483.506 0.731 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 918610981 VXQKMCUIPGNVPH-FXBPSFAMSA-N 463.541 0.936 30 20 JCED CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 920249236 PHJFLOQMKROFOB-UHFFFAOYSA-N 463.604 0.668 30 20 JCED CC1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1291183751 CPIBXDUTFYHPPH-IEBWSBKVSA-N 464.640 0.797 30 20 JCED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1300857715 YIUOISQJWQHXQJ-UHFFFAOYSA-N 461.386 0.827 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(F)ccc2F)C1 1316355076 IWGNMNXWACJCEN-NVXWUHKLSA-N 468.486 0.666 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 1359085042 ZNHYYWHIDYFQNK-OLZOCXBDSA-N 477.385 0.221 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1360299287 VNGLQHWNJGDGBW-UHFFFAOYSA-N 464.574 0.990 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCS(=O)(=O)N(C)C 1494136250 LBMQSBKZTLKMNV-HNNXBMFYSA-N 461.596 0.844 30 20 JCED CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 1502315936 WUCUTJZPCSDCJI-KNQAVFIVSA-N 496.616 0.706 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1510115699 RVENMKYPIXSLPK-MOPGFXCFSA-N 495.650 0.709 30 20 JCED CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1517780327 MZIYUMIWQCBPKK-LJQANCHMSA-N 483.573 0.744 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1N1CCOCC1 1541946666 ZBJQVSGOMAFGQY-AEFFLSMTSA-N 475.575 0.502 30 20 JCED CN(C)S(=O)(=O)N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1565661813 NHYKHICTHSGORW-MRXNPFEDSA-N 458.382 0.896 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1611686857 NMUQADJDNSJYFG-ZENOOKHLSA-N 483.492 0.593 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1619913072 UFSLUUWKEAECCZ-KRWDZBQOSA-N 454.597 0.657 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690229233 QRVJRWNKMCSVEC-NWDGAFQWSA-N 453.384 0.712 30 20 JCED C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1751283270 NXMSFPXWYVXBEP-QHCPKHFHSA-N 467.530 0.679 30 20 JCED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 1767515207 LJPHAKFTGJQMSA-DYESRHJHSA-N 460.560 0.419 30 20 JCED COCCN(C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1769783943 JOKICRCFAXJONO-SFHVURJKSA-N 477.591 0.502 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1770685375 XWXXLIRKCUFLLT-UHFFFAOYSA-N 487.586 0.584 30 20 JCED N#C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1770747195 MRKQIVVIRWGRRH-QAPCUYQASA-N 482.360 0.986 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(C#N)c[nH]2)C3)no1 1779436370 STNSRLUIFXYKHE-XMSQKQJNSA-N 454.487 0.740 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)COCCO)CCO3)C2)CC1 1781170035 LGYKDXHDCITNBL-HSZRJFAPSA-N 480.562 0.366 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782727853 RLKSASNNOXYZDW-YJMIJIGASA-N 453.543 0.072 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783611624 FPKQEVLGKLNIEV-DDOIHHOZSA-N 467.563 0.778 30 20 JCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CCO2 1784201842 MQHLORNKDCUVOG-IXFSTUDKSA-N 476.599 0.190 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785379548 KTTZQARONXTZLQ-AUSIDOKSSA-N 474.514 0.610 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1785383494 RAZHZOLEAQNAJE-HSZRJFAPSA-N 451.483 0.895 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1788470513 APFMZCHCDSODNM-HILJEMBLSA-N 465.528 0.531 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21 1788601368 ALVCEFHXSMDCQJ-USCOOSACSA-N 457.531 0.918 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H]3C(=O)OCN3C(=O)OCc3ccccc3)C[C@@H]21 1790794010 STZSGIPBXJRJTB-TUFLPTIASA-N 483.521 0.901 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(Br)ccc3O)C[C@@H]21 1791078105 KGJVLZOYOWTOHD-NUTKFTJISA-N 465.300 0.765 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C[C@@H]21 1791078155 VMKQOGUSCDQPAD-WBAXXEDZSA-N 497.957 0.076 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792148285 AYTNXKPHUYJWCS-MQKZXWNDSA-N 459.499 0.533 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1792259150 ZZGDKFZEWVWGSS-VJANTYMQSA-N 474.562 0.565 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C[C@H]1CCOC1)NC(=O)OC(C)(C)C)C2 1793342945 BGTRJAAWLFIYIQ-HUJIQXBTSA-N 493.601 0.934 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1793600119 UMKBRWWIXPMENQ-SFNKJDCFSA-N 462.551 0.727 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)[C@H](C)CC 1795557353 SUIIHTIGWSWNMO-RCFCFVIZSA-N 450.580 0.866 30 20 JCED COC1(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)CN(C(=O)OC(C)(C)C)C1 1797155290 IOHXHASQVYUZOV-PNBKFKSVSA-N 457.593 0.920 30 20 JCED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCCNC3=O)cc1 1797321005 YUGJRBCUIWMTLZ-OPMZPASUSA-N 462.510 0.334 30 20 JCED COc1ccc(OC)c(C(=O)CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1 1800781297 YXISTAJRMNDGFP-LTQWCFAGSA-N 458.467 0.344 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cncn1)C2 1802125922 CIVWCMDMANKGEJ-DFBDCSAJSA-N 460.535 0.345 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)[C@H]1c1cccnc1 1802483466 RJWJZOQJUHBDIG-VGUQJHJQSA-N 457.531 0.097 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1803034494 GYDXYLNBEGZLLK-BXWFABGCSA-N 460.487 0.061 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)c(C#N)c1 1804354432 ONVFXLHGRXYZPV-HCLVMJGWSA-N 490.520 0.808 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)C1 1804857789 ZUDPAUGORCBTTO-WAYWQWQTSA-N 457.531 0.347 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)Cn4cnnn4)[C@@H]3c3cccnc3)c2c1 1807614345 WOGWCYNYSWMBJX-KKSFZXQISA-N 456.470 0.836 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809669749 CUCXOQULPXSIBZ-URXFXBBRSA-N 485.585 0.761 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810328534 ZXNCPXKLVXUKSY-JQVVWYNYSA-N 455.559 0.379 30 20 JCED Cn1c(=O)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)nc2ccccc21 1818380555 IAXXDWLVXLBNED-NSHDSACASA-N 451.464 0.704 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)CC1 1825675539 ROGAYFXMBMXIDB-CQSZACIVSA-N 491.570 0.696 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)CN)C2)C1 1828494338 IEARFIZFDFMHMB-LDALOYHTSA-N 497.596 0.892 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(=O)N(C)C)C2)C1 1828580060 MYKDNIIEDURJJD-KBMIEXCESA-N 484.553 0.565 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1829634319 JXZAVTPXELNXLP-HFZDXXHNSA-N 483.613 0.583 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829634542 QXFQTDYPXQBCQW-RDPSFJRHSA-N 454.527 0.568 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCOc3ccccc3)C2)C1 1829765274 RCFKCGDLYDQYMJ-HMLKYZKVSA-N 457.527 0.770 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1829807615 BEHARKQLKQJOIY-NUEQRWBQSA-N 472.590 0.920 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)cc1 1829902747 ZNDULGPJGAHIBM-XMMPIXPASA-N 476.493 0.619 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1 1830217319 OBCQXYZCOIJLRW-QNRVUJQYSA-N 491.541 0.714 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460724 UAGSGDHJRYCFDC-CVDCTZTESA-N 457.531 0.394 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccc3ccc([N+](=O)[O-])cc31)CCO2 1831114832 CNNGBYYTZSZXCS-JOCHJYFZSA-N 470.438 0.094 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c2ccccc21 1831213205 HVYHGIFBAPVGMS-XMMPIXPASA-N 452.511 0.210 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3c[nH]c(C)c3C(=O)OCC)C2)C1 1831388727 WNMAYNHAGBALBK-UQBPGWFLSA-N 489.569 0.927 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1831397549 SDGUCARWBHSOAM-VGSWGCGISA-N 453.536 0.394 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1831404735 TUCRWWZTMWADGX-JTSKRJEESA-N 483.537 0.440 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831420383 XVSXQHYLRAQFKH-XLNZFTOWSA-N 497.589 0.670 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1831435730 XOBZEYVTWWWERI-JPYJTQIMSA-N 485.578 0.575 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)ncn4)CCO3)C2)c(O)n1 1831733037 WBUNBICWKFJVNX-HSZRJFAPSA-N 469.498 0.785 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1831997717 FLCGFBBGBHFQQB-YADARESESA-N 491.589 0.888 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832078810 ODZLYIBDDGQYCC-GAJHUEQPSA-N 479.530 0.320 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832934042 SQYOWMWDJIVUFV-HXOBKFHXSA-N 491.545 0.294 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)Cc5cncnc5)CCO4)C3)c2c1 1833125021 FTTKWEXQDSAYPR-QHCPKHFHSA-N 461.482 0.537 30 20 JCED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833488439 FJMUKUTWRVQYRT-OAQYLSRUSA-N 450.605 0.828 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833617181 CLZJKOJDFDMYSJ-XLQQFJOYSA-N 480.525 0.196 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cn1)CCO2 1834477777 ZCEYKXXIHGYGGQ-KDGIGMFRSA-N 450.467 0.820 30 20 JCED N=C1NCCN1CC(=O)NC1CCN(C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1834704533 OVKWPFHCUDYUGP-ONEGZZNKSA-N 472.615 0.899 30 20 JCED CCc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c1I 1834758601 QCWYRBCIXJJJFP-QGZVFWFLSA-N 487.298 0.560 30 20 JCED O=C(NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1cccs1 1835095756 CBFJJQIQBMPJOZ-XMMPIXPASA-N 467.547 0.986 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC1CCN(C2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1835120086 OASLYNVWFCGJEK-ONEGZZNKSA-N 457.556 0.935 30 20 JCED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](S)C(C)C)CC3)CC2)CC1 1835510610 UTDSLDBQXUZJRP-JOCHJYFZSA-N 467.680 0.677 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(F)cc3)C2)C1 1835672646 FWCUKIPTVZBRAK-HSZRJFAPSA-N 462.522 0.943 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1ccccc1=O 1835677204 BGINSLOOBPGGPZ-FDDCHVKYSA-N 459.547 0.148 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1835677373 PFEFLMUUMKSYOF-HSZRJFAPSA-N 454.531 0.686 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835677698 MTFNDCJAGVDIIQ-HSZRJFAPSA-N 458.563 0.499 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1835713139 HNMQMVBJEJPVBQ-HXUWFJFHSA-N 475.590 0.858 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CN)c1ccccc1)CCO2 1835817522 FZCSFGVVFTZGOV-YKSBVNFPSA-N 459.543 0.695 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCCO3)CCO2 1836678622 ZGMDTNHJAXEQAA-UKDBKGKESA-N 483.565 0.869 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c1 1837253147 QXOJRLQKLWQNSF-UUMVVRSSSA-N 468.510 0.472 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1837395989 ACLRNUVZSLUWKS-KBMIEXCESA-N 484.553 0.577 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1)n1cnnn1 1837432710 MOODYUXYDHJLCT-WIYYLYMNSA-N 462.627 0.742 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)(C1)C2 1837446897 QIVWWWHUAPJQRV-ROHVUPLZSA-N 462.547 0.258 30 20 JCED Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837488816 SUWLKRYEHLSQHL-XMMPIXPASA-N 458.559 0.655 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837488998 WSBUTDPQKTWDNW-HSZRJFAPSA-N 476.505 0.551 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2)C(F)(F)F 1837502678 MGVWWHRSXGGAHX-MAUKXSAKSA-N 466.409 0.056 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1837527639 ROKZXTSGXGMJTG-FGKIGFKSSA-N 453.536 0.789 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cc(O)n1 1837529508 USQYXZPYHCWXGK-GTBXIFBCSA-N 462.503 0.695 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1837531308 IOYGMTDWCNGYBX-KQKDOZOKSA-N 451.476 0.371 30 20 JCED O=C1CCc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)nc2N1 1837562126 DZCDVSCKVMJWOY-RCHKNJNJSA-N 481.509 0.748 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837566856 PXADKJJLKYIAKG-CSOJOJLQSA-N 459.455 0.586 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837640940 VGWMDCPTQDFQSR-MBSDFSHPSA-N 452.515 0.485 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Cn2cncn2)CCO3)c(C#N)c1 1837647848 YFDBLLSPNFROKQ-UUOWRZLLSA-N 482.541 0.494 30 20 JCED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)CNCP(=O)(O)O)CC3)CC2)ccc1F 1837836099 YDQQDQSMMOJEML-UHFFFAOYSA-N 496.476 0.963 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c1 1837947651 RHTQFYGRZVUMLF-HSZRJFAPSA-N 481.465 0.439 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5ncccc45)C3)C2)c1 1838581774 OWUGNISFECBDRW-DEOSSOPVSA-N 476.493 0.993 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccc1Br 1839401539 NOCWBQWQYZHLBD-FQEVSTJZSA-N 476.283 0.479 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCO2)C1 1839482185 HKHHOKGWSOBSGU-QHCPKHFHSA-N 499.528 0.823 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)[C@H]2C1 1840011183 RMZFUCGPZRJHJA-OIMFZILRSA-N 478.546 0.238 30 20 JCED CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840040062 HKKXXWXUBIQXKP-QFIPXVFZSA-N 497.520 0.270 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1840108025 IYNOZMYLZJUGHG-GGUMNFRJSA-N 496.605 0.827 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219280 HEANGUPORUTLFG-GOTSBHOMSA-N 465.547 0.228 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)OC)CCO3)C2)c(O)n1 1840319579 SXPQKYKEKTWUGH-QFIPXVFZSA-N 462.503 0.332 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466902 CRIGQQTWKDIBCS-NTKDMRAZSA-N 489.573 0.336 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1)NC(=O)OC(C)(C)C 1840795630 TXTJZZJKIFMKCG-FDDCHVKYSA-N 492.577 0.594 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CC)C1 1841284080 WHAJTOOHYLBWIS-HOTGVXAUSA-N 468.551 0.766 30 20 JCED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1)NC(=O)OC(C)(C)C 1841892898 FLNSVYLSNKNHPB-OAHLLOKOSA-N 463.535 0.601 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842305160 SJVRFVOVYIXVSO-UHFFFAOYSA-N 469.542 0.734 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC)NC(C)=O)C1 1844387918 ISYXEZPONULGNM-IAGOWNOFSA-N 450.536 0.258 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C3)c1 1844727058 BYEJPQJQTUDDOI-HXUWFJFHSA-N 450.499 0.854 30 20 JCED CCCCn1c(N)c(N(CCOC)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c(=O)[nH]c1=O 24594712 BBNOZUHACGEZBO-UHFFFAOYSA-N 492.558 0.091 30 20 JCED COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 31079700 NSQLNNWMCUMHMM-IBGZPJMESA-N 485.566 0.844 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)CC1 105027900 YUMRMVOIUZAMMX-FQEVSTJZSA-N 467.551 0.303 30 20 JCED CN(CC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 497811994 LKWCICWMZJHGHY-UHFFFAOYSA-N 461.544 0.940 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 506233309 NOQYZVGWBSLLBF-UHFFFAOYSA-N 463.497 0.965 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(F)cccc2F)c1=O 522284433 KGYJLEMRTKTCJC-UHFFFAOYSA-N 451.495 0.880 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 608827988 BPRURBZWCCFXIQ-AWEZNQCLSA-N 463.519 0.047 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 619103175 XUZSUULTWZNVSH-HNNXBMFYSA-N 456.528 0.927 30 20 JCED COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 726727750 WNEUNZPMPBORDJ-ADSWHHSESA-N 465.532 0.785 30 20 JCED CC1CCC(NC(=O)CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 728281629 MTVMCFAVBWKXNG-UHFFFAOYSA-N 461.588 0.564 30 20 JCED C=CCCO[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 921217416 MGADBRNPJQTDAK-INIZCTEOSA-N 468.528 0.815 30 20 JCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CCO1 1309077114 QCTPBZXKVZBNCU-MRXNPFEDSA-N 452.924 0.977 30 20 JCED N#Cc1cccc(-c2nnc(N3CCN(CC(=O)N4CCCC4)CC3)n2CC(=O)NCC(F)F)c1 1316531564 PBOFCLIAWNORPC-UHFFFAOYSA-N 486.527 0.942 30 20 JCED COC(=O)N1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1503890966 SAVHOKWGJHXJAY-WBVHZDCISA-N 483.595 0.685 30 20 JCED C[C@@H](CC(=O)NCc1ccc(N2CCN(C)CC2)nc1)/N=C1/NS(=O)(=O)c2ccccc21 1540677013 SIQKNFCNXCGRDG-INIZCTEOSA-N 456.572 0.967 30 20 JCED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1693751776 YMEYKMRCUIIJJT-WBVHZDCISA-N 457.560 0.765 30 20 JCED N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCS(=O)(=O)N2CCSCC2)cc1 1712879643 IGHUIWZSCKRWER-UHFFFAOYSA-N 475.600 0.522 30 20 JCED CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1729668811 WOPQNNDFRXBRNW-GOSISDBHSA-N 487.586 0.727 30 20 JCED CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)NC)c2ccccc2c1=O 1746470073 NDWJMWWRHYYUSA-AWEZNQCLSA-N 458.548 0.962 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)[C@@H](C)C1 1760619247 VHESEFNMXXWCJH-SBUREZEXSA-N 453.547 0.852 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1763197569 FXPSSPBMYPJLJO-XSYGEPLQSA-N 494.666 0.564 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1767844273 MFQZUULKJMVKDR-OAQYLSRUSA-N 470.559 0.851 30 20 JCED CC[S@@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768335096 GOVBVBXWXXGAHC-JGCGQSQUSA-N 456.576 0.762 30 20 JCED CS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1770337925 TWCRJEWUFJMNKQ-INIZCTEOSA-N 461.523 0.611 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CS(=O)(=O)N3CCCC3)C2)c1 1778090517 ZPNKHOQUPFRIKI-WIYYLYMNSA-N 463.560 0.439 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778960154 STWYNXURHRSSEQ-HZCFWTAGSA-N 493.605 0.993 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019458 QLLUWZGCDHJKKU-LPFFWNTMSA-N 481.594 0.564 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1779072253 IFPDNDJJOWLMQE-NFBKMPQASA-N 457.483 0.805 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1781861824 VNEIWTBTYDHVRT-VGOFRKELSA-N 462.478 0.984 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3OC)C[C@@H]21 1783528326 NDMXTSDKKGSDMY-BFBMHGIHSA-N 457.527 0.912 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783604326 JNAZRMNCMAQKCM-TTYHFUOFSA-N 462.572 0.408 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1785596091 DBNHWBRUDYOZAC-UJUVCNOISA-N 450.536 0.551 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc5ncccn5n4)[C@H]3C2)c(C#N)c1 1787938967 CPSRVMAMETUEAZ-VDGAXYAQSA-N 475.509 0.841 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790330662 NFLQAZDLNITHIG-PXXNVOBCSA-N 469.498 0.644 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)CC2=O)c1 1792427313 DQAZQTVDMHYTIV-XWQURZDVSA-N 497.596 0.920 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)C2 1793340909 RFWOFCOFSYLGMT-RDPOXOKHSA-N 482.512 0.672 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1793368776 UXJAMLYUMUPTGV-GCJYXCDPSA-N 454.570 0.757 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(N)=O)C2 1793595537 QSXNJDZSNPVFAW-NNXHMXCWSA-N 467.567 0.492 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793837136 KFJJDSYOPDGUSW-HATOLVCRSA-N 483.707 0.358 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O)NC(=O)OC(C)(C)C 1796325483 XLMNRYVQQWNYCK-FSNPWBFUSA-N 481.594 0.882 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2)[C@H]1SC(=N)NC1=O 1796430107 ZVSHLYSBCHOYMU-BONOGKKUSA-N 473.530 0.632 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c1Cl 1798590142 CKNWNQUGWWPISH-IVWMJMPLSA-N 489.941 0.880 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798635066 WIWXBRDPWPVVKT-AXVVYFOYSA-N 487.557 0.670 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2)C(F)(F)F 1800549966 WWVRZIWQALPUSP-JJLQDPRZSA-N 476.415 0.893 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1800986383 QAHNBVZUOXEQBC-ZUMXRPEOSA-N 491.595 0.186 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1800996237 VIPRRFSIZKDPAI-CLWJZODNSA-N 465.547 0.836 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(N)=O)C2)NC(=O)OC(C)(C)C 1801928026 GBNVTHPACOJCLA-OREBXVKISA-N 481.594 0.882 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1802024608 RVOYARJCVWTKEW-HGKCTWBKSA-N 460.531 0.755 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN(C)C)C2 1802139949 TVLZZQHEYPGMOV-XSDDWTICSA-N 450.580 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1802480100 AKVNHEZUIIMGCV-CXJFKTAMSA-N 452.519 0.279 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1 1803507298 SOZYHODAJXNLAV-BJZITVGISA-N 458.544 0.929 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807952478 SALPYMNVWQQTSX-VGOFRKELSA-N 499.491 0.478 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1809665941 SRPQXILROUKSSI-BYGXPYSHSA-N 482.585 0.110 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1810355827 GDWBGRBNMHFKEW-NANFTHHLSA-N 483.462 0.341 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CS(=O)(=O)N2CCCC2)n[nH]1 1818107335 LNHQQNYPEKPGDB-RDJZCZTQSA-N 451.549 0.866 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCN(C(C)=O)CC1)CC2 1819714633 OBXMFDKJFIFXTO-MAUKXSAKSA-N 463.604 0.792 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1828026517 KFXOCOSTJRBPCO-ZDUSSCGKSA-N 468.495 0.558 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1828808059 HSBHVMFEUNWLJJ-SFYKDHMMSA-N 455.515 0.075 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccoc4cn3)C2)C1 1829771193 LBMZDXNILUYCSM-XXGSHBOYSA-N 454.483 0.756 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)n1ccnn1 1830463370 ZPDACTPELFMCDQ-WZONZLPQSA-N 452.515 0.800 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(OC)OC)CCO2)c1ccc(O)cc1 1831041013 JBBQBJIYXCHLIQ-CYFREDJKSA-N 460.527 0.965 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831329314 LNQXIJNBDPUYNU-BTYIYWSLSA-N 482.534 0.095 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831331459 DAMPXTTVDFSYOO-JOCHJYFZSA-N 463.556 0.382 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1831393935 SHRZKGLPTYAXMJ-CPJSRVTESA-N 471.554 0.632 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1831421489 KDJJUKOIPZTHKC-CVDCTZTESA-N 480.583 0.898 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831464848 SOJQIFJJYGJPGM-YCRPNKLZSA-N 467.519 0.448 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832204952 HLMBBWBPPDUUHS-RZZUAFPKSA-N 469.546 0.359 30 20 JCED COc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1832913142 YORIEAJEKFEACR-DEOSSOPVSA-N 473.574 0.761 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1833683534 XJJQVCZBFFQJHY-XUHCNCODSA-N 462.526 0.968 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834330044 AZRPESVGVVLQTM-GAJHUEQPSA-N 475.546 0.407 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834760472 DVZYHBYYAFJKTP-YVHKJVDXSA-N 468.526 0.952 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835289500 FWEUJMMCEBIUHH-WIOPSUGQSA-N 456.539 0.875 30 20 JCED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1835600814 ZPAVLFLTJKGRNM-OZWPHOJSSA-N 458.559 0.939 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1835677247 CRMAJHIWNUSQNV-QFIPXVFZSA-N 459.503 0.162 30 20 JCED Cc1ccc(-n2ccnn2)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835680593 MDKKCVCSWYHCFN-VWLOTQADSA-N 495.584 0.928 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c(C(F)(F)F)n1 1836321906 PKQXQFWXMLXLDO-NRFANRHFSA-N 497.474 0.374 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1837305934 NIRCZHYDUXULEY-KSFYIVLOSA-N 478.571 0.677 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837428956 OBTKHTDZPHVAGZ-PGRDOPGGSA-N 466.655 0.941 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)c(C)n2n1 1837443946 UYBRQOGQIFXTMV-HPTBBYBNSA-N 484.561 0.283 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1837527512 OQOIXTJXKWJFNF-GSJUJJHQSA-N 498.540 0.866 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)ncc1[N+](=O)[O-] 1837528301 FJZGPBVDBORNQR-LVJFVWMNSA-N 491.501 0.897 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C1)CCC2 1837565129 MCFICBJYWUZQCX-AMFJNGDOSA-N 455.515 0.691 30 20 JCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n(C)n1 1838043262 ITUATVPAXGRBND-PTJKWTKHSA-N 463.535 0.582 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)cc4nn[nH]c34)CCO2)C1 1838617731 DVVKJEOKNMHUHS-LHSJRXKWSA-N 461.906 0.720 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1839173160 CGAHVGAQUKAIDF-KBMIEXCESA-N 491.585 0.743 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CCOC1 1839192298 UXKOCSFSZOGRKX-PKTZIBPZSA-N 480.562 0.676 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)cc1 1839652153 RFJVAAVQIZNEJU-HSZRJFAPSA-N 451.483 0.757 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839667710 DPJQYZNYXVLTSG-KKSFZXQISA-N 466.485 0.868 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839716568 QDCSZFUNLQOJSN-YADARESESA-N 489.573 0.565 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ccccc3[N+](=O)[O-])C2)C1 1840044185 OZLZDXFPQLCBIP-HXUWFJFHSA-N 463.468 0.231 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840157018 BVUCYAREQVZKFO-CKJXQJPGSA-N 473.592 0.397 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1ccccc1=O 1840819695 AQNZJYOQUXCNNZ-CLOONOSVSA-N 480.521 0.816 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840905298 GDACRBMBAZQUJB-YADARESESA-N 474.558 0.982 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)c2nccnc2C(N)=O)C1)C(C)(C)S 1844596794 IJYAWPHUJJNBFI-OAHLLOKOSA-N 492.602 0.994 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@H]1CCCCO1 1847640873 IHAAXBNOWBTGOV-YQIKKBNNSA-N 468.551 0.993 30 20 JCED COCCCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 20008696 IHEDOXRNAZCOJE-UHFFFAOYSA-N 472.546 0.954 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 28089153 IHUAXUATNCWZIO-UHFFFAOYSA-N 487.563 0.897 30 20 JCED COc1cc(C#N)ccc1OCCCC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 480586393 TUTRENKMQPPDKW-UHFFFAOYSA-N 476.511 0.951 30 20 JCED N#Cc1ccccc1N1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 510513950 KMFQLBMSNGQQOV-UHFFFAOYSA-N 483.598 0.937 30 20 JCED COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 518135553 QHGKDMLMDSQJRL-UHFFFAOYSA-N 499.549 0.740 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc(F)c3)c2=O)cn1 523581401 VDZMQRCDTDAMOO-UHFFFAOYSA-N 453.499 0.616 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1CC(C)C 590913578 IFWWRVDQSQBSTJ-UHFFFAOYSA-N 473.551 0.959 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCCC(=O)OC 592994026 VFFMQPJKPAKZFY-UHFFFAOYSA-N 498.540 0.612 30 20 JCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2)c1 604207388 LVONXACMEOPSLH-UHFFFAOYSA-N 498.561 0.762 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)c(Br)c2)c1=O 604270474 QZXLCFLOKYIYDZ-UHFFFAOYSA-N 493.358 0.681 30 20 JCED CN(CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C)c2)c1=O)c1ccccc1 726579115 VTTMDTVBGWUILH-UHFFFAOYSA-N 492.605 0.532 30 20 JCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3c(Cl)nc(N)nc3N3CCOCC3)cc2)CC1 727971757 HMPANMIAYWZPCO-UHFFFAOYSA-N 495.009 0.931 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)NCc2ccc(C#N)cc2)c1 746555936 SLRJOULPVLPBCR-UHFFFAOYSA-N 458.496 0.398 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 811832930 DPBOQXXTIOBMMY-UHFFFAOYSA-N 479.536 0.658 30 20 JCED Cn1c(=O)ccn(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c1=O 915394184 PCXJZRUHONVJEQ-OAHLLOKOSA-N 469.498 0.460 30 20 JCED CC(=O)NCC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918274816 XPVMBWJRGLCDOZ-CLCOLTQESA-N 463.560 0.813 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 918279125 NTENPZXQPAAREU-CVIUTVQRSA-N 484.600 0.769 30 20 JCED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1OC 1300190984 KDEAIERDELRGCP-UKRRQHHQSA-N 450.521 0.683 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CS(C)(=O)=O)CC1 1301968871 RBLNKXJHQNVFMB-CABCVRRESA-N 474.609 0.032 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(C2CC2)C1 1301969362 WGMCMXKCSPWMMC-RYRKJORJSA-N 451.597 0.691 30 20 JCED N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1316541289 VUQJEUORACTGKV-QFBILLFUSA-N 467.935 0.789 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)C 1359084976 XNVLMMIQBARPPC-ZDUSSCGKSA-N 479.401 0.480 30 20 JCED COC[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555236526 CNSDGCGSXZBOJW-KBAYOESNSA-N 467.596 0.070 30 20 JCED COCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1555440727 VMBXXMDRIKSNJP-DNVCBOLYSA-N 456.544 0.870 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1COCCO1 1611705102 NFALFCKBWVAPIZ-JKSUJKDBSA-N 493.565 0.641 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1618840331 OMRLGDMLXUCPAN-UHFFFAOYSA-N 453.532 0.483 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCOCC2)CC1 1691005315 ZCDHKTOABZDTAK-IRXDYDNUSA-N 467.596 0.072 30 20 JCED Cc1ccc(C(=O)NCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1693015975 OUWRCSMTHGJLPS-HKUYNNGSSA-N 489.602 0.945 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)COC(=O)N2 1696622986 IORQQHGZMAGYCM-UHFFFAOYSA-N 459.532 0.787 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1778967541 LLVMIXYCWYBIJE-UTKZUKDTSA-N 451.545 0.502 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063963 VXPYGHOFEWAQAC-MHECFPHRSA-N 479.574 0.401 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)c1 1780600431 MRVNJFIBONMLQZ-QFIPXVFZSA-N 451.439 0.772 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781111260 JUOYEKWDXYDYSY-NWFVXXGESA-N 465.547 0.082 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1781165784 XJPHTSLFWIRFRO-RHGYRFJNSA-N 494.589 0.576 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1781310804 ULOSZCCUVWCGBO-NTKDMRAZSA-N 472.542 0.776 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781399482 GESWTXDYVLTPRN-KNQAVFIVSA-N 473.567 0.313 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC)CCO2 1783054254 DDAIQPZJQZZIAB-SEPYTNNBSA-N 463.531 0.496 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCNC(C)=O)C2 1783270351 ZXFBTHRROBMDCC-KHCICDEESA-N 478.590 0.943 30 20 JCED CC(C)(C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ncc(Br)cn1 1783557481 HUOUUDRULDBBKJ-IBGZPJMESA-N 465.304 0.435 30 20 JCED Cn1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C3)C2)n1 1783780576 ZZHOOVPNEHTVGG-SZNDQCEHSA-N 482.607 0.860 30 20 JCED CC(C)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)c1ncc(Br)cn1 1784233442 KLFPZODNMUVGOK-QEJZJMRPSA-N 479.331 0.584 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]2C1 1784522395 VEOIGGFJKNDJHB-SPOLIRPYSA-N 499.630 0.563 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1784785072 VPCWPUKZQYKWRM-ADHGMGHFSA-N 464.563 0.572 30 20 JCED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)n(C)n1 1785616347 JATXGCKOFUOECJ-ZWOKBUDYSA-N 453.499 0.973 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786370023 DKSWXXNNTWJDFW-NXOAAHMSSA-N 466.535 0.726 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1788227715 SCVKYQIBNWRTRU-WMUXEFRJSA-N 467.494 0.403 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788652656 JZVKLILOAQUHKD-DNQNUKJESA-N 452.552 0.657 30 20 JCED COc1ccc(-c2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)n[nH]2)cc1 1791075707 PHOPCKBNCKETPT-KNBMTAEXSA-N 452.467 0.767 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792239996 RHJYBSKJBQIGQY-AJNGGQMLSA-N 456.590 0.627 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@@H]21 1792256754 JLPSBIWHGPOYNI-DWRORGKVSA-N 487.557 0.995 30 20 JCED CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1792627712 XAKIFPABYSZPFS-DRXBFXEBSA-N 468.436 0.446 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1793597756 WPPKVRXEQFLSRG-RCLSDMTESA-N 479.622 0.293 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O)NC(=O)OC(C)(C)C 1793948511 VFIGFCAUSXNVKF-NTODXPRQSA-N 493.561 0.034 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N(C)C)o1 1794605367 XPDDOHMVQOTHIW-DFGXFYAUSA-N 475.546 0.860 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1797815171 KZDWQIJZYAOQMC-HWZZDCQOSA-N 452.508 0.634 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)nc1)C2 1797816016 YVAMESRLFKAHNZ-ACGBBXNNSA-N 468.514 1.000 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798496779 HBELXXDXVBBCGW-VEKQLQJNSA-N 454.524 0.997 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1799679417 ADABVQYYLXEEIX-SHJAMOMRSA-N 458.515 0.533 30 20 JCED Cn1ncnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800906435 NHJMZFVYNHRYFQ-LXTVHRRPSA-N 482.607 0.620 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2)c1ccc(O)cc1 1801054191 NCFPLIMJISBAEJ-AYMMHLMVSA-N 479.470 0.204 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801441050 MWHAEOYVRZEQDM-BAGFOUIPSA-N 475.550 0.293 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)[C@@H](C)CC)C2 1802125556 YZUKJPAWFZLGEK-XEZGLNCPSA-N 451.564 0.900 30 20 JCED COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)cc1 1802230793 KKMXUVDRTMTXFT-UPHUGPLXSA-N 452.467 0.955 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)nc3cccnn23)[C@H]1c1cccnc1 1803550781 SADVWGPEJUIAEC-NRJQMVOHSA-N 460.494 0.842 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806852142 NJGRCFBIHZWOCB-KRWDZBQOSA-N 453.499 0.766 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC4(CCCN(C(=O)C[C@H]5NC(=O)NC5=O)C4)CC3)c2c1 1806853009 ZPKYCLUNFSVZNI-QGZVFWFLSA-N 463.498 0.877 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1807947106 YMUBMGXASMPWKB-FXAWDEMLSA-N 469.465 0.713 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810328406 IGMNCCSBRKBJSK-WWNPGLIZSA-N 470.570 0.437 30 20 JCED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](N)CN)CC3)c(C(F)(F)F)n1 1815975614 KWLGOLFEQGHEEY-KCJUWKMLSA-N 453.450 0.940 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1819452248 HSAIFVJZUYZEFS-MQFVPBGYSA-N 472.439 0.656 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819900164 FVPRPKFXQMSENG-FCYGAINYSA-N 487.604 0.912 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819901025 AZSSEMSLNXKHSO-DLBIENHSSA-N 469.520 0.649 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)sc2C1 1828307720 GACCLFWJSFHYTF-IPYPFGDCSA-N 493.586 0.862 30 20 JCED Cn1cc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cn1 1828712265 XBBHFYIBONAWKH-DEOSSOPVSA-N 479.493 0.574 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc(C)c(O)nc1=O)CCN2C(=O)OCc1ccccc1 1829451088 AYOMLUNOPKJSFA-RUZDIDTESA-N 493.520 0.343 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)cc1 1829902681 YCKKWJQUEFLZRI-HXUWFJFHSA-N 451.426 0.667 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5cccnc45)C3)C2)cc1 1829903108 IHJWBTJJGWJTJI-DEOSSOPVSA-N 460.494 0.914 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064865 VSVSSMSADPDKAQ-DGGJZMOXSA-N 480.562 0.363 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468012 CMIOROZAUVWOPF-UGKGYDQZSA-N 479.917 0.212 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCOC2=O)CCO3)c1 1831013393 QINDFIGJNYMXOG-HSZRJFAPSA-N 456.499 0.399 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213535 PSWGUQRIPCZOAP-IBGZPJMESA-N 451.321 0.666 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1835119229 YQJGOSTUJJDIHN-ONEGZZNKSA-N 487.582 0.610 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835124403 FQBXAMNSVRSQPC-YTZAWJCFSA-N 494.589 0.581 30 20 JCED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1835239711 DYEIDDNJFZLUGT-JOCHJYFZSA-N 450.919 0.811 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c1 1835641791 SHNLNLXBOPYFMN-HXOBKFHXSA-N 454.531 0.224 30 20 JCED O=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)CCN1 1836520894 WGOBJEGAQIENMJ-JZPRSCHJSA-N 461.540 0.470 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)c1 1837319325 RMTUWVTWZMTBEN-FQEVSTJZSA-N 485.415 0.742 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1)c1ccccc1 1837362771 NEKXQSYUXZXBDH-YADARESESA-N 452.511 0.516 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1837393636 XQGBLUJHTDFIFT-SKPFHBQLSA-N 460.527 0.856 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527521 OYEHWEFXKZZPFO-IXEKKTNKSA-N 465.551 0.254 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837564201 CEGYIXQWEMNFCX-JJDHCWFKSA-N 471.514 0.707 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1)c1ccccc1 1837614593 RRXRRCTWERDASB-NFBKMPQASA-N 452.515 0.327 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837837442 CEOXCAACEAEJBO-YRPGDMADSA-N 467.910 0.729 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838067365 KNHUVDMVUKTTPG-UUCLDJJNSA-N 467.567 0.961 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(OC)nn4C)C3)C2)c1 1838580441 CAMWFTORQNGABD-HSZRJFAPSA-N 469.498 0.693 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838731834 BEQRWWBUXVENKT-JOCHJYFZSA-N 452.471 0.624 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Br)ccc1O)CCO2 1838890929 UWIODPQWDBDLJL-LJQANCHMSA-N 467.272 0.313 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839130487 BLGKCGZLXQLTPK-HOYKHHGWSA-N 491.541 0.228 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)ccc1F 1839187916 DSSLNZDXVZKYMI-HXUWFJFHSA-N 486.422 0.375 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3[N+](=O)[O-])CCO2)C1 1839232575 PFPMHWBJILXJQC-GAJHUEQPSA-N 475.498 0.641 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cc1 1839363493 WVLAZWONCJSEQP-OAQYLSRUSA-N 454.443 0.768 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2c(O)cc(O)cc2O)CCO3)cc1 1839370927 QKKMSCOYUMOKQX-XMMPIXPASA-N 467.478 0.988 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839387232 DQPFWPDPXFCKTO-FDDCHVKYSA-N 474.514 0.471 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)ccc1Br 1839400865 DOOXXDHQBYRBNM-IBGZPJMESA-N 490.318 0.077 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)NC(C)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1839881084 LDFKSCDATFYIFA-YIGJPRQDSA-N 494.589 0.533 30 20 JCED C[C@H](N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C1CC1)c1ccccc1 1840044344 DQVCKUHXZQBSFA-WYRQLCSISA-N 469.538 0.660 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]13C[C@@H]1CCN3C(=O)OC(C)(C)C)CCO2 1840082944 YSUAHFOXSMNWKG-APTYZTEPSA-N 491.585 0.881 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](C)S)CCO4)cnc2s1 1840160760 RIWLQSGZRAMEPV-ORAYPTAESA-N 452.558 0.453 30 20 JCED NC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1 1840647516 FTKKWYMPNHWLAN-ZWGHOPNTSA-N 474.514 0.385 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 1848150954 LRCMGZMFLHGXQC-MNEFBYGVSA-N 489.536 0.576 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848213365 FDGVGILKLWZJRJ-IGEXJBOUSA-N 459.503 0.724 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)c1 518715472 QNLWPIQELINOCP-UHFFFAOYSA-N 482.606 0.983 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 602252470 JSYLNNMEXBPDFB-UHFFFAOYSA-N 490.494 0.175 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(OC)cc2OC)c1=O 603792902 HCWWUTQTJFIDDQ-UHFFFAOYSA-N 468.579 0.780 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 603795716 GETILILSJVSYNY-UHFFFAOYSA-N 485.566 0.425 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(=O)N(C)C 604270089 DVNCIIQXGXCEGW-UHFFFAOYSA-N 498.483 0.162 30 20 JCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 609086860 FCMDMTTYGZNVMT-UHFFFAOYSA-N 451.430 0.101 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)CC1 728534025 DISPHVDFPNYXPZ-KDURUIRLSA-N 460.600 0.860 30 20 JCED CS(=O)(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 729381852 BQLRBKHUKBFIAM-UHFFFAOYSA-N 451.482 0.422 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 838248590 OXRVGTSEHOQHSJ-UHFFFAOYSA-N 477.926 0.300 30 20 JCED Cc1c(NC(=O)[C@@H](C#N)C(=O)Cn2nnc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C 916961347 OZUDEEQMENQQKF-KRWDZBQOSA-N 457.450 0.937 30 20 JCED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918267647 XHUUIOMRIQWXKJ-OQKWZONESA-N 487.604 0.226 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC3(CC2)OCCO3)c1 918409064 WDGDWKYGXJLLSV-XLNRJJMWSA-N 450.517 0.803 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)c1 918429587 LJPRONDSDWMXBV-LHLOQNFPSA-N 498.565 0.818 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](c3nncn3C)C2)c1 918440275 SCEQJBKPFKWQCS-VKEPEHDUSA-N 473.559 0.973 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C1CCN(C)CC1 920397086 GKCFZBJMHSODEW-UHFFFAOYSA-N 454.600 0.933 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN(C)CC(F)(F)F 1288861596 BNKMIOYDRCXMLT-ZFWWWQNUSA-N 478.545 0.559 30 20 JCED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1302456633 VLMZHWKRMDSQJU-UHFFFAOYSA-N 466.589 0.769 30 20 JCED C[C@H]1CN(C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1512357459 UJPYYSPYDHKRQW-VVLHAWIVSA-N 469.612 0.505 30 20 JCED CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1517631646 SIUXMHWASUCVQN-GOSISDBHSA-N 455.544 0.944 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1539803197 GWPIHSWHOAVLMJ-HOTGVXAUSA-N 471.971 0.675 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1541675658 SGPVPCQKTIMAQT-SJORKVTESA-N 484.527 0.856 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1=O 1555575784 OUZBZPJUYPIVDR-SJLPKXTDSA-N 451.531 0.979 30 20 JCED CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1558592114 NWCZGEAZFBKMPR-IAOVAPTHSA-N 452.533 0.976 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c1 1610893375 MKFHOOYLDOSJNQ-UHFFFAOYSA-N 450.489 0.217 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCO[C@@H]1C 1692346950 SUHFFXYCCYHPJD-LVCYWYKZSA-N 484.623 0.917 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2CCCO)c1 1712687079 OJCHYZCMHVWELJ-MOPGFXCFSA-N 474.587 0.924 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CCO1 1748222991 LLXYSZXGSZWBOM-YZGWKJHDSA-N 470.530 0.731 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1748278641 SDOPJRCJLGKXPQ-UHFFFAOYSA-N 454.535 0.075 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2cccs2)C1 1750210925 YWZYDPPSMDVOQL-INIZCTEOSA-N 493.615 0.842 30 20 JCED Cc1nn(C)c(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1751823470 NSVATNSWUQCIII-DYVFJYSZSA-N 450.569 0.748 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778052345 BVUHFDPGLXJLKG-AOMKIAJQSA-N 470.555 0.969 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778054254 XLPFKYINIZUVOO-IQMFZBJNSA-N 466.498 0.605 30 20 JCED Cc1ccn2c(=O)c(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)cnc2c1 1778689815 FCOBOJYZJDQWDN-UZUQRXQVSA-N 452.467 0.218 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1779099639 JYVWXPCJFAGXSJ-QGILJNMMSA-N 450.452 0.150 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779103180 NYZSTJORELLZSR-YRWBNLPSSA-N 475.546 0.646 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1)c1ccccc1 1779182775 DTYIBEHNJBANLO-DENIHFKCSA-N 463.471 0.738 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1779236197 BOHQTVHNFKKOGX-VWLOTQADSA-N 470.570 0.815 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cc6n(n5)CCCNC6=O)CCO4)C3)c2c1 1782194565 DSSLAIZJPQVLGO-XMMPIXPASA-N 488.508 0.522 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)=NO2)C1 1783452567 NEVXAODLGNOYKF-QHCPKHFHSA-N 472.542 0.996 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1783769180 YGBSMJAEBDJJEJ-QRQCRPRQSA-N 477.566 0.619 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN(CCO)CCO)CCO3)C2)cc1C#N 1785197996 QKSVFAZJBYMDDC-DEOSSOPVSA-N 474.558 0.076 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1785452958 ABQOKCGANSZGRQ-SQJMNOBHSA-N 487.576 0.985 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1785574708 PDBDYOZRWIHMOC-RLSLOFABSA-N 485.585 0.698 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1785622904 YRDNEVHPVQGCGC-GMWOSMDTSA-N 475.546 0.103 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368002 CGFMWGKZPYZEPQ-QAETUUGQSA-N 486.591 0.208 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787150760 AAAPYGGDUDCLCN-WSMBLCCSSA-N 452.533 0.023 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(=O)n4O)C[C@@H]32)ccc1F 1789904735 RPDSKNLRQCHREI-KNBMTAEXSA-N 454.458 0.932 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=S)NCC)[C@H]3C2)c(O)n1 1790566728 FEFJDZZMKYSHSZ-SNRMKQJTSA-N 475.615 0.983 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1791142415 JDRQAOHGXONJLT-HJOGWXRNSA-N 488.581 0.714 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)OC)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1791480139 ISROROFVXSUFMY-XSLAGTTESA-N 480.562 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(F)F)cn1)C2 1792484626 QZJKABGYAIXENW-KUIZXIRVSA-N 450.442 0.745 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792887637 UCGKHFHFINWEHU-NQNKBUKLSA-N 456.540 0.263 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1793344185 JILQXDBYFVDMQO-REAORAKASA-N 493.601 0.622 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1793600030 PUHUHBVJIUSCJQ-FQLMCAECSA-N 492.495 0.724 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c(C)c1F 1794477144 XUSZRTVHOOAYNO-IVSAIRAKSA-N 463.510 0.977 30 20 JCED Cn1nc(C(F)(F)F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599017 LKBVYQLLJGRVQZ-YWVIFJGQSA-N 456.469 0.924 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 1797280082 UCJGVYFEESJCNR-HSFPKCAOSA-N 494.564 0.784 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744403 LFJFOFHFLQHQAZ-VCTUQFAOSA-N 457.531 0.818 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1797780953 RGSJIMZXUGAUCB-AGGWBTHJSA-N 464.412 0.630 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(S(C)(=O)=O)cn2)C3)c(C#N)c1 1799239082 WRMAKTMQKFEAFX-FEJSZKPUSA-N 498.561 0.811 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(=O)n5[nH]cnc5n3)C4)c2c1 1800874176 PFXPFWQHPAYJEL-BTTYYORXSA-N 457.454 0.731 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCSC 1801032481 WALNYDJMXGATQH-RZFLPCETSA-N 469.604 0.607 30 20 JCED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2Cl)C3)c(=O)nc1O 1801970165 DQQOWBNIVWGDBC-CCWDJLKJSA-N 471.901 0.686 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(I)cnn1C)C2 1802021617 PUKWWRWXSKVRDX-JJLQDPRZSA-N 456.284 0.641 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3c3cccnc3)c2c1 1807118648 QETLSTHPDUYYJB-HTAPYJJXSA-N 471.525 0.989 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1807144825 BVVVVKBCBCEKHD-YLJYHZDGSA-N 478.557 0.623 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)Cn4cnnn4)[C@@H]3c3cccnc3)c2c1 1807614341 WOGWCYNYSWMBJX-IERDGZPVSA-N 456.470 0.836 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CN3CCNC3=N)C2)CC1 1809752638 JUOZBADGLJGYLB-SFHVURJKSA-N 474.606 0.974 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1815671060 VBMLCNHCHQUOKK-LUJYGJGBSA-N 479.607 0.604 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](COC(C)=O)OC(C)=O)sc2C1 1819852440 YJJNDRVSZXLJCA-LOWICHSDSA-N 478.527 0.408 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CNC(=S)NCC)sc2C1 1824492540 KPJWEDAWJSELJA-QDZRJHCZSA-N 450.590 0.398 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCN2C(=O)OCc1ccccc1 1828585165 RFEZQOCQAPSIPF-WZONZLPQSA-N 475.567 0.752 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3ccnn3)C2)C1 1828806304 PIXPMQZVVXSXGU-JOCHJYFZSA-N 451.487 0.644 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCn1cncn1)CCN2C(=O)OCc1ccccc1 1829388069 WUCGHWCEHKIQKQ-DEOSSOPVSA-N 494.508 0.208 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC(=O)OC(C)(C)C)C2)C1 1829763030 YZLXRZDXCKCVBX-DHSLYTQISA-N 479.574 0.813 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1829766032 HDIUUVJSIUQYGL-UZQCKINESA-N 453.499 0.491 30 20 JCED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n[nH]1 1829900584 HYTVZKFSTYCLCT-HSZRJFAPSA-N 451.483 0.797 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)cc1 1829903440 TXCMFDVNAJHBAT-QHCPKHFHSA-N 461.482 0.309 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1830351745 CLSFAVNHAZKVOZ-HFJQGTKSSA-N 495.523 0.834 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1 1830456834 SWIRBAQTTLWHQX-HSZRJFAPSA-N 456.499 0.399 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830673942 BPPMUDZJMRSVOD-NKOIWJIPSA-N 469.538 0.354 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1831438480 OFSQPLMFBIYBMQ-VGSWGCGISA-N 485.553 0.993 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOC)C2)C1 1831998668 QNLWZMYIEZHUEB-HTAPYJJXSA-N 455.552 0.949 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832201910 PLLXLBXLOHJFGE-RUZDIDTESA-N 459.506 0.939 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833032198 YIZKFBPCADMEKQ-JTSKRJEESA-N 465.572 0.507 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c1 1833238036 VHECDZBJMFNDSO-NRFANRHFSA-N 480.569 0.661 30 20 JCED COC(=O)CSCC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833478819 FTRDFEAPGNORGN-DHNIJCFSSA-N 484.619 0.993 30 20 JCED CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1C(=O)O 1833608816 TXCOOQOJNXWNRA-JOCHJYFZSA-N 470.486 0.746 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833620885 LTJJORPHDVGIBR-BEQIRNJDSA-N 498.540 0.866 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833828316 YYDIBQUFGCIDNS-QFIPXVFZSA-N 456.886 0.957 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834196504 JSJGGRGXUOPWKJ-HSZRJFAPSA-N 452.467 0.808 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)c1cnc(O)nc1O 1835070420 NMZVTCRWUZCRIU-OEBVFIGYSA-N 476.534 0.602 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835840278 JOLFUDLVBGCHBO-OAQYLSRUSA-N 452.596 0.692 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)cc1 1836255437 CBSNLCYLSNSWEL-HSZRJFAPSA-N 499.549 0.022 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837135457 IZQQSJFTROUUTB-QFIPXVFZSA-N 459.524 0.811 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1837396114 CDBIZUOCWGTOAK-CJFMBICVSA-N 486.569 0.520 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1837399332 QUXIEQWSZSMANR-NSXLHWASSA-N 473.526 0.751 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1837445107 CZOVHXDMEGGABW-XBNCBFDQSA-N 475.590 0.316 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837526687 FQJASPJHUQLWOF-OULMTPLFSA-N 472.502 0.557 30 20 JCED O=C1Cc2cccc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)c2N1 1837530183 JTZBLFOEAPWYQB-BOYHNBDRSA-N 486.525 0.780 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1837530618 OGAUHXJKQZEKTP-IARPCUQLSA-N 451.520 0.539 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)N1CSCSC1 1837572761 QCZAGBLUTYKHFT-CMQXEDBBSA-N 485.676 0.958 30 20 JCED NC(=O)[C@@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1837881675 JEMTYYWNZJYEFE-MKQXIXSSSA-N 467.567 0.107 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)CC3)CC2)c1 1837990059 AYLNVNOTXGWOSU-UHFFFAOYSA-N 486.554 0.964 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c1 1838502164 ZOYKOJQIUCQJKJ-XMMPIXPASA-N 474.477 0.345 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838827793 IFNYGQFFOFLBOL-JOCHJYFZSA-N 469.454 0.944 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1839073249 VGZCKKDNWOUPSN-HTAPYJJXSA-N 453.536 0.394 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)[C@H]4C)C2)C1 1839810107 DKNZTPGEXLGYLP-BXKMTCNYSA-N 487.557 0.898 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839877268 PAKSWDYAUBHPDJ-ZUOKHONESA-N 483.447 0.567 30 20 JCED COc1cc(OC)c(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043417 WVHUWXAEROHNKL-OAQYLSRUSA-N 450.419 0.001 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)CCO3)C1 1840060598 YJVQRPXQESZHCI-YDIMBITNSA-N 479.574 0.779 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOc1ccccc1Br)CCO2 1840073318 JYEIBRQYTDQSSF-OAQYLSRUSA-N 495.326 0.762 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1840218451 GWFHBXCUIAFBHP-GOTSBHOMSA-N 480.562 0.364 30 20 JCED CN(C)C(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1840788806 YPYVZLQVAFXXKN-RUZDIDTESA-N 485.585 0.740 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819795 FPJHCBWVXIJSMA-SBUREZEXSA-N 456.499 0.084 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820427 OTWFQHFYLMRFIY-PKTZIBPZSA-N 475.498 0.009 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)C#Cc2ccc(Cl)cc2)C3)n(C)c1=O 1841984322 WBZLYNMWVVPJGH-UHFFFAOYSA-N 494.939 0.342 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153550 NTMUCXOOZGMYCZ-KRWDZBQOSA-N 454.531 0.974 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)C2 1846196436 ZBGLDWLESGPAAC-UHFFFAOYSA-N 451.479 0.373 30 20 JCED C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O 24138834 DRUWXCUHXYJBAN-HSZRJFAPSA-N 499.524 0.997 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 105458235 BKLJIWLDZBDAOA-UHFFFAOYSA-N 455.448 0.619 30 20 JCED C=CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 108938639 UUPHEEFEQRETKI-OAHLLOKOSA-N 458.558 0.718 30 20 JCED Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 483062044 YPPFMWOIGWUMKB-UHFFFAOYSA-N 455.496 0.437 30 20 JCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 517142314 OKBJMRIBOBKIEV-UHFFFAOYSA-N 478.509 0.687 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cccc4c3OCO4)c2=O)cn1 522389531 LNKXJYLZCUSXQY-UHFFFAOYSA-N 463.519 0.970 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(OC)ccc1OC 523254823 SEVPAYKIDHLPLS-UHFFFAOYSA-N 451.508 0.455 30 20 JCED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 589801992 YGKOJSQLLCKIHJ-UHFFFAOYSA-N 452.533 0.301 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 608828395 SETXHPUZNVINGZ-UHFFFAOYSA-N 490.541 0.812 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(-c3ccccc3)s2)c(=O)n1CC(N)=O 608912635 YUGTZZKMZLXBJS-UHFFFAOYSA-N 480.571 0.485 30 20 JCED C#CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)cc3)NC(=O)N2)CC1 728572427 CTOJZYRINALUFR-NRFANRHFSA-N 473.961 0.878 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCS(C)(=O)=O 729674122 CDKOTVIPQRPZKV-UHFFFAOYSA-N 469.610 0.062 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)C1CCN(S(C)(=O)=O)CC1 744993760 NUBDCWAAJFBJGZ-UHFFFAOYSA-N 476.511 0.581 30 20 JCED C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 758311360 LQXTXLPJJDFRMM-QHCPKHFHSA-N 497.533 0.985 30 20 JCED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 916875867 VXTCUNXCHCVTCE-CQSZACIVSA-N 488.360 0.945 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(-c3ccc(Cl)cc3)c2)c1=O 917768792 MYOOLZRIFJVYCR-UHFFFAOYSA-N 499.980 0.757 30 20 JCED CCOc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1198957933 PSIFOKBPVIMWBN-OAHLLOKOSA-N 456.546 0.623 30 20 JCED CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1516809429 YIXZLXBECJBZFG-UHFFFAOYSA-N 457.564 0.948 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1517629405 RTAMPAIXHOGLDR-AWEZNQCLSA-N 455.338 0.986 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCc1ccccc1 1541116574 QVOXFTNMVSIQFJ-HKUYNNGSSA-N 489.602 0.566 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCN1CCCS1(=O)=O 1696676569 PSBVCCAZSWLFGL-UHFFFAOYSA-N 457.560 0.944 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1706865625 BOXIBIAXCPEPTN-GJZGRUSLSA-N 458.610 0.986 30 20 JCED CC(C)OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723722465 HHXDAURYPLDRPF-ROUUACIJSA-N 467.596 0.213 30 20 JCED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1=O 1728599298 AQCQDQRMWUFWGI-QHCPKHFHSA-N 453.547 0.854 30 20 JCED COCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1749614055 PRBSFLGCMRXPLW-KNQAVFIVSA-N 492.602 0.907 30 20 JCED Cc1nn(C)c(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1751824370 XVJMQNIXEAFBNZ-DYVFJYSZSA-N 450.569 0.606 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccnc1N1CCOCC1 1760689346 WEECLRQBHFVMCN-HOTGVXAUSA-N 462.580 0.764 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1)c1ccc(O)cc1 1778790428 QYUXHPNCJXFWAM-MEKIYTOJSA-N 473.526 0.784 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ncccn3n1)C2 1779422945 UALAJZMEPUHSCM-UDYHDUIUSA-N 471.518 0.781 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1779557051 WGSQXYDBCOXLQN-PQNGQFLHSA-N 474.533 0.905 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781200758 QOMVAEFONREDIQ-VGSWGCGISA-N 453.536 0.396 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C[C@@H]21 1783530843 MQVVPJPKOJDPTA-XMVVGHCXSA-N 457.487 0.750 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)C2)C1 1783566624 XKLYUCWYTHAENR-HSZRJFAPSA-N 461.515 0.551 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783682880 ZSAZRQJNYHRLQL-QAETUUGQSA-N 452.552 0.792 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4CNC(=O)O4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089589 VIRFNXGCZOPXKA-PONJGIIJSA-N 464.519 0.490 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1784198801 QEWJZYWSBBRWGT-ACRUOGEOSA-N 493.601 0.937 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4C(=O)C=CC4=O)[C@H]3C2)c(O)n1 1784799770 QAKONCQDYQYVNV-VDGAXYAQSA-N 482.537 0.814 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1784854026 SKKQFUASPJPXMD-FYQPLNBISA-N 493.601 0.766 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2)NC(=O)OC(C)(C)C 1785305710 AEBKBPYMXVPZHY-VGSWGCGISA-N 462.551 0.968 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785328166 LNYMBHITDUKSGE-KDDMCQSNSA-N 464.588 0.927 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1785578448 YTLNSGCZDDMIQF-QQMNAOGKSA-N 462.547 0.259 30 20 JCED Cc1cnc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]43)cnn2c1 1788335886 AFWGBPKFFKVSMP-WDSOQIARSA-N 453.547 0.913 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(C)=O)[C@H]2C1 1790869538 SHGCDETZKBJFAU-OKYANQEVSA-N 478.590 0.960 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(NC(C)=O)cc1)C2 1792489266 MEYWDSZJXIOSEZ-KALPFLKPSA-N 454.527 0.636 30 20 JCED COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C 1793385348 LFMCVSLKPWEXPI-YHELAOLJSA-N 476.636 0.617 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1793593327 GUVQDLSWJUZWLC-KRXQYRFLSA-N 489.529 0.847 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794009377 QWQYSXHGTVMZHC-FZKCQIBNSA-N 463.535 0.646 30 20 JCED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1795276018 UWGPQVNZGAICOS-OPMZPASUSA-N 482.500 0.826 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1 1797614843 CLWVZTCPGOQOAI-UPDNIFCFSA-N 488.585 0.880 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)C3)c1 1798858852 YBLVBAHIIIBVAX-PDOICOKGSA-N 463.494 0.768 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799063815 DKRFNBONSDWQDB-JNNRSPCRSA-N 490.582 0.022 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)=O)C2 1799322731 LORNHYXJHPWJPQ-SFNKJDCFSA-N 452.552 0.572 30 20 JCED CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1799326311 VJYVJMIMYZWPQL-JHDGKUDLSA-N 469.561 0.609 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C2 1799334451 BUBJRAIPLMWOEG-RECXWPGBSA-N 486.569 0.972 30 20 JCED O=C(COc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1800204009 NCIPZFFBRSUHLF-MFKICJERSA-N 456.886 0.856 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(F)CC1 1800358293 XZWFXAGWKZLNRX-YYIAUSFCSA-N 498.552 0.884 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1800723265 KGJIXARHBPMQSF-DBENCMRHSA-N 461.559 0.871 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)OC(C)(C)C)C2 1800723816 ORHFJPVAEXJPPG-SFNKJDCFSA-N 497.614 0.576 30 20 JCED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)ccc1Br 1800779643 RABAADLHNOZODS-IVWMJMPLSA-N 451.273 0.749 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801443518 XKNCSIVMVIWPKL-MULDDASSSA-N 478.615 0.378 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)COc2ccccc2C#N)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812393414 JXZGBIZJDXGUFQ-PGRDOPGGSA-N 479.493 0.581 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1819899805 AUDMJJQDOMROCO-YNEFKOSYSA-N 499.615 0.315 30 20 JCED COc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN(CCO)CCO)n[nH]2)c(C#N)c1 1822027056 ZZOSLJMHEWIDBC-OAQYLSRUSA-N 484.557 0.811 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1822833542 WHDUANUCFPDGMC-LBPRGKRZSA-N 466.516 0.684 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822995612 PLCKYWBBWGARSL-ZFWWWQNUSA-N 466.560 0.981 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661527 VNZHZFXWHQQFRN-WCQYABFASA-N 466.516 0.419 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NNC(=O)C1)CC2 1828283784 DQDIZPAWVUXGQC-WCQYABFASA-N 474.543 0.848 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807940 ZNMLLUDVLSPOFL-YKSBVNFPSA-N 485.541 0.503 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[S@](=O)c3ccccc3)C2)C1 1831401872 HIYGLBVKEHYJDM-LAINEXORSA-N 462.568 0.677 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1832000178 JCAAQBXLVKSHBO-YADARESESA-N 490.557 0.859 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CCO2 1832035981 GGTDDFIWLPBLMY-SBUREZEXSA-N 467.563 0.784 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1832111474 KJYNJDZRBJIAAV-JOCHJYFZSA-N 467.563 0.781 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)Cn3cccn3)CC2)CC1 1833073975 VDEMQECDLQEACZ-SFFCAUCYSA-N 456.591 0.949 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833572823 OZGRTKASCXKMOB-OAQYLSRUSA-N 466.466 0.362 30 20 JCED CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)CC1 1834624571 JXHPLKNNFBSLDW-LGUFXXKBSA-N 472.634 0.908 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1834760380 ASXSEWUVUJUWMQ-QHCPKHFHSA-N 488.545 0.617 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)C(C)(C)S 1834768600 FQYGOIQFWHZJCZ-IERDGZPVSA-N 470.592 0.958 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099312 GFKSHDSRCMKIKF-XMMPIXPASA-N 452.511 0.651 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1835674719 KXVSIQXQKZSVNN-QHCPKHFHSA-N 473.530 0.205 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1835677966 RVDYMCVDCDVIEW-RUZDIDTESA-N 488.585 0.800 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677985 STZFMQXACZSCBC-XMMPIXPASA-N 497.556 0.792 30 20 JCED COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)nn1 1836056449 JSQGXWJYJAXGOX-UHFFFAOYSA-N 457.579 0.952 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)ccc1Br 1836148595 ATXJDAGHALUEQL-IBGZPJMESA-N 490.318 0.077 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnc[nH]4)CCO3)C2)c(C#N)c1 1836488285 LFOMDRSHNLFNOA-HSZRJFAPSA-N 453.499 0.532 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCc2nc(N)n[nH]2)CCO3)cc1 1837268685 MNUQZBDXZPRSAE-HSZRJFAPSA-N 467.530 0.280 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)ccc1Br 1837366463 WJFZGKDOJRLYBQ-FQEVSTJZSA-N 490.314 0.267 30 20 JCED COc1cccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837440856 BOIWTBRERHTYCO-CFUMORPUSA-N 473.574 0.951 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1837443808 KBJQXEPZWGVNRK-XTVKVDEJSA-N 454.531 0.876 30 20 JCED CC1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1837526046 RZKMOBWWQZCJKL-KDYRRFBVSA-N 466.579 0.704 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)NCc1ccco1 1837635841 HETJIGTWWBPHHN-JCQVWYSLSA-N 484.509 0.621 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837699639 CQFRHONUYPXEBC-IVZQSRNASA-N 460.918 0.972 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c(O)n1 1838325367 DWYQAWJOGLBVQT-XMMPIXPASA-N 496.524 0.179 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CCO2)C1 1838585209 CQZRGJCHLVXYCP-OBWXTZQISA-N 471.510 0.514 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839107761 WXUVMPGBRGJBFO-KNQAVFIVSA-N 465.595 0.024 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3OC)C2)C1 1839175103 PHKLDUDXRZIXNP-QHCPKHFHSA-N 461.515 0.978 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CCOC1 1839192299 UXKOCSFSZOGRKX-XZOQPEGZSA-N 480.562 0.676 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210047 BZQXVHGGESVZQV-NXMSCROESA-N 499.605 0.292 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839273212 AVANKIRXTQKGCV-LXHZQTKUSA-N 474.470 0.229 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cn6ncccc6n5)C4)C3)c2c1 1839488229 FOGLNCQXMATEAW-XMMPIXPASA-N 486.492 0.861 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1839716740 ZNKHICBIJBACNE-XMMPIXPASA-N 472.542 0.852 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840008791 RAFFGHYRWRCLNI-XMMPIXPASA-N 490.557 0.622 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1840163846 OZQNOUKOJCMLQN-CWTRNNRKSA-N 452.558 0.514 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840166643 VJSKENLVNAVZPU-NTKDMRAZSA-N 479.574 0.882 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1)c1ccc(O)cc1 1840219424 NJHIRXOHOOYPFW-LZCXECNNSA-N 483.565 0.872 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840436547 MVSAWTVAXBEPFA-JJDHCWFKSA-N 457.531 0.748 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840497092 HRKAXKSEYNUHFM-BTCHJHNJSA-N 462.503 0.315 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@@H]1CCOC1)CCO2 1840589097 YVCMTXXCGKQJIE-NEQAHEGBSA-N 453.536 0.789 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840795699 XMSAJSMOPCKGKN-JTSKRJEESA-N 453.536 0.891 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818056 HXTRWHREAZRQAN-YKSBVNFPSA-N 456.543 0.878 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1840820215 FIKDUZYGLNWZDE-DEOSSOPVSA-N 494.483 0.889 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1840840249 HUVVOFHTKGRZEZ-DEOSSOPVSA-N 453.495 0.543 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840844484 YJYUULHSZHGXNM-UQBPGWFLSA-N 491.585 0.882 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842885341 ZFAOUTYQZRUSPI-GOSISDBHSA-N 483.573 0.681 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1847510029 FDUQCSHVRQUFHL-VSZNYVQBSA-N 494.589 0.990 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)cc1C#N 1848072658 GANVHEPUIRRQKZ-PMACEKPBSA-N 474.583 0.891 30 20 JCED Cc1c(C#N)c(NC(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)n(-c2ccccc2)c1C 10192292 HEAKUIKSRCWYIJ-UHFFFAOYSA-N 489.492 0.895 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 33090865 BCZXPNGHNGCPAG-UHFFFAOYSA-N 463.541 0.107 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)c1 105253666 KLLRLALPTHYPFY-UHFFFAOYSA-N 473.511 0.492 30 20 JCED CN(CC(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F)S(=O)(=O)c1ccc(C#N)cc1 518689497 FXUYJVWIVXOQER-UHFFFAOYSA-N 461.475 0.562 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 522540562 USFTYQMOAXKLLS-UHFFFAOYSA-N 478.505 0.499 30 20 JCED Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1F 609050058 IYBFCAJZMRJILH-UHFFFAOYSA-N 498.500 0.453 30 20 JCED CN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc21 609226991 HRVOSBSJMHGJJX-UHFFFAOYSA-N 481.534 0.939 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(=O)N(C)C 618433611 MDXFZHLBUGGWSU-UHFFFAOYSA-N 468.514 0.446 30 20 JCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccnc2OC)C1=O 726401516 AQTWQHJPZMSLRV-CLXZYQIKSA-N 477.568 0.874 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 769639964 CLJKFQQXJVPMBX-AWEZNQCLSA-N 494.551 0.657 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)n(C3CC3)c2C)c1=O 838212647 HABNUKQXEHVPMB-UHFFFAOYSA-N 499.637 0.261 30 20 JCED C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)NC1(C#N)CCCCC1 912685515 NJUDEGXBKZDXLF-HNNXBMFYSA-N 462.528 0.695 30 20 JCED N#Cc1ccc(N2CC[C@H](OC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2=O)cc1 912686049 KJGHUXNIUYMZEV-IBGZPJMESA-N 468.491 0.641 30 20 JCED CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 918774451 DNHPWQHCUHYXCS-RXVVDRJESA-N 463.556 0.836 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C(C)C)n3)c(=O)n2CCOC)CC1 1251156664 ZCYJOHLJBKRKRZ-UHFFFAOYSA-N 475.640 0.803 30 20 JCED CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1299033933 QIQXYRCPTGRQOC-VWLOTQADSA-N 494.600 0.855 30 20 JCED Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1304419534 YGFXVMIELPIDEQ-SFHVURJKSA-N 459.576 0.891 30 20 JCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1467706805 JVXVWSQABITXQQ-KBXCAEBGSA-N 458.544 0.493 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1503287780 ZMZWBZRNTMTJDF-OAHLLOKOSA-N 461.548 0.335 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1508425122 PPFODENPRMCZOO-KBPBESRZSA-N 467.518 0.701 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)N(C)C)CCCC1 1509954440 NVUSGGXNHKOMAE-SJORKVTESA-N 481.623 0.998 30 20 JCED CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1596431144 LTCNAOQGVRGRTR-LJQANCHMSA-N 457.560 0.957 30 20 JCED CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1614983933 LCNQIAYEHCSZBK-MRXNPFEDSA-N 453.569 0.267 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc4c(c(C#N)c3=O)CCC4)CC2)cc1 1643890574 KBMOJBKBBLBGTC-UHFFFAOYSA-N 456.524 0.750 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705755216 OLEHNRCPRZJIQX-IAGOWNOFSA-N 475.015 0.665 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCNS(C)(=O)=O)CCOC1 1710485000 SSPHALCQPKHPNF-SIKLNZKXSA-N 490.586 0.929 30 20 JCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1710984472 VMWVXDHZURGASG-QGZVFWFLSA-N 452.519 0.763 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC2CC2)C1 1724010430 JGDAXMRSWGIBBK-UZLBHIALSA-N 465.580 0.267 30 20 JCED CCN1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CC1 1746469729 XVWNCHOGIFRCAP-RTBURBONSA-N 482.655 0.377 30 20 JCED CC(C)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)N1CCOCC1 1761476980 WCJPCWROHOIDAI-AEFFLSMTSA-N 453.613 0.985 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)NCC(F)F 1762294521 OEHUCVLDYGIQQL-OAHLLOKOSA-N 452.510 0.754 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC(F)(F)C1 1778177110 OZXRYKUXCZJTJQ-YCRPNKLZSA-N 485.484 0.797 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778277713 YZLWCGDRVTXONI-BKMJKUGQSA-N 483.613 0.999 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017472 QBILYHUVFORFCU-BPWCYXMDSA-N 481.594 0.828 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C(=O)Nc4cccnc4)C3)C2)c(C#N)c1 1779204403 GQTQBNNGZGKFSH-DEOSSOPVSA-N 463.494 0.973 30 20 JCED Cc1c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn2[nH]cnc(=O)c12 1780021676 LGAYXFSTXIUODI-XMMPIXPASA-N 486.492 0.836 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1 1780779505 USYJVFYNFHZWOI-NRAIQUKZSA-N 481.590 0.814 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2ccccn2)C1 1781488168 YJWUPBVRWMPBRH-KKIGLAAZSA-N 456.543 0.752 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781966580 LLDFFTQSCYDQIB-DEOSSOPVSA-N 493.532 0.837 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017294 GPXKVOJWGZFTRR-DCLXLUIPSA-N 473.501 0.475 30 20 JCED CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2)C(=O)C(=O)O 1782751475 HQIRWEBXOSYJPH-HXUWFJFHSA-N 493.314 0.307 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4nc(N)n[nH]4)C[C@@H]32)cc1 1783443344 RCEZWBGQYQSICM-FHWLQOOXSA-N 451.531 0.804 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1nc(-c3ccc(F)cc3)no1)CCO2 1783558240 VDKSDNCADWKSRQ-JOCHJYFZSA-N 456.430 0.726 30 20 JCED COc1cccc(-c2ccc3c(C(=O)N4CCO[C@]5(CCN(C(=O)C#CC(=O)O)C5)C4)ncn3n2)c1 1783562836 RMYSUZRPJZISOC-VWLOTQADSA-N 489.488 0.936 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOC4=O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1784281615 NYAWWQXEIWRBAM-VJANTYMQSA-N 492.573 0.984 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)c(=O)[nH]c1C 1785376309 QVTZIIZENIHMPY-QHCPKHFHSA-N 451.483 0.781 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cccn2c(O)nnc12 1787386146 WCWDLCZLENRBHZ-NHVAJMQMSA-N 472.502 0.557 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787499384 BEHJVMWGFMNDFQ-BOFVXQRXSA-N 495.565 0.830 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N(C)C(C)=O)[C@H]2C1 1787518716 KXIHQFRDGMCUIB-ZKIDJSGLSA-N 478.590 0.750 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1)c1ccccc1 1788651961 RLEASZJLAQDPEE-NRAAZAKSSA-N 469.582 0.814 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=N/O[C@H]5CCCCO5)[C@H]4C3)CC2)CC1 1788660395 MPTOAHNOFSHZFL-OJEQAERHSA-N 477.606 0.275 30 20 JCED Cn1ccc(=O)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1789227498 VKSJLJAJPJGEPR-JLMWRMLUSA-N 450.495 0.929 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1792148415 DPWIIPRZEALSOE-BJLQDIEVSA-N 451.483 0.786 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1792490341 PHSHEYVESYAZOW-IHDPIKAKSA-N 482.581 0.070 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)c1ccccc1F)C2 1792490670 KJZSPKRETLJZFA-NICVUCQGSA-N 486.544 0.625 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(C)(=O)=O)c1 1792694957 BGLJGUMDLKQVPU-KAXDBTLWSA-N 461.540 0.152 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn(C)c(CC)c1Br)C2 1793342889 YANCNPKYUJNIJJ-ZJOBFFGXSA-N 467.364 0.987 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(Cc2cccs2)C1 1793973903 IWFZFWXXIXLIGJ-UGNRZPKXSA-N 487.626 0.968 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)c(O)n1 1794490811 OLJNMENFQOAFMS-QXGSTGNESA-N 463.556 0.686 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O)c1ccc(O)cc1 1795534483 RWDQOBIIVWRZEV-SUYVIKNLSA-N 456.543 0.072 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C(F)(F)F)cn1)C2 1795598529 JGFZWGVJFKFEFH-YWVIFJGQSA-N 454.453 0.980 30 20 JCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)c1 1795727214 SZEMKSLPHUNJIT-UPHUGPLXSA-N 461.482 0.125 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NC=O)N(C(=O)OC(C)(C)C)C1 1799294922 KCTLNHJDTYXBIE-JCECYMMASA-N 450.536 0.276 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3CC3)C4)[C@H]2C1 1800723788 MKHNVKATVKXFDD-NYOMPZLHSA-N 473.570 0.871 30 20 JCED CS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1 1802775741 WPZGSEYVEHJIAA-UWJYYQICSA-N 455.492 0.893 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CNC(=O)c2cccnc2)[C@H]1c1cccnc1 1804364481 BYLONDXPQCVGTA-PLKRASQRSA-N 476.537 0.771 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC3(CCCN(C(=O)C(C)(C)C#N)C3)CC2)n(C)c1=O 1805043299 WJKSEMUHWGPVBN-UHFFFAOYSA-N 469.546 0.215 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819843101 BPVBNIGULOEICN-CYBMUJFWSA-N 481.538 0.799 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819897940 FKXGHZSAAIWFDY-KMKNYMLNSA-N 486.514 0.629 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)Nc1nc3c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC3)C2 1824794094 SPEWKMKZFRPWET-STQMWFEESA-N 485.522 0.779 30 20 JCED CC(C)[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1828583842 BEHAILZHYIIVAR-JTSKRJEESA-N 465.572 0.704 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CS(C)(=O)=O)CCN2C(=O)OCc2ccccc2)C1 1828909878 WBOZIVCUCCHOSF-IERDGZPVSA-N 483.612 0.801 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(O)nc1O)CCN2C(=O)OCc1ccccc1 1829050489 PNYGWRHNBQCIQW-QHCPKHFHSA-N 480.481 0.867 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ccccc5n(C)c4=O)C3)C2)C1 1829668506 RQJSUNYZQRJBGB-XMMPIXPASA-N 452.511 0.970 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(F)F)cn3)C2)C1 1829763908 FQBJEKGERQISKL-LXHZQTKUSA-N 480.468 0.611 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CC)NC(C)=O)CCO2)C1 1829864485 IQUMRAMCCVFTQU-JXQFQVJHSA-N 494.589 0.274 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1830466844 OAKNITYJGXFWKF-XMMPIXPASA-N 475.973 0.870 30 20 JCED O=C1CSc2ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2N1 1831221647 WPTYVKISZPTAET-JOCHJYFZSA-N 456.524 0.609 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1831393277 VSNDWGOXROPNSP-HNVPCBRESA-N 485.581 0.382 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1831401547 BPAHKLISWHMKBA-GGUMNFRJSA-N 493.557 0.407 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831989920 BBZUWDVDDLWVOC-KHLOOKIASA-N 469.535 0.704 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1832052718 VVNOVMVJCBJXLJ-FWXZJNEGSA-N 493.605 0.924 30 20 JCED Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)s1 1833021565 SEBJHZYQKZEAIH-HFSPCEDCSA-N 481.575 0.765 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834717264 XEBYXOWHRALZOK-IBGZPJMESA-N 494.637 0.683 30 20 JCED CCc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c1Br 1834758706 VDROKAIKQBCBSZ-SFHVURJKSA-N 454.325 0.729 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835116892 LOGULJHPIBNDOK-UHFFFAOYSA-N 450.605 0.397 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCOC[C@@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)C1 1835347667 BPTAVHIDWFTDMH-PKTZIBPZSA-N 478.546 0.118 30 20 JCED Nc1n[nH]c(CCC(=O)NC2CCN(C3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)n1 1835666471 IGCGDJRVVZQDEZ-UHFFFAOYSA-N 471.606 0.590 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1835675281 LZPJGMRHKYHFKE-RDPSFJRHSA-N 472.542 0.565 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1835676788 ACTLQKWBUYGKSN-HSZRJFAPSA-N 454.531 0.686 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N2CCOC[C@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)CC1 1835681085 PSPSSZDDACDWMQ-QHCPKHFHSA-N 493.605 0.782 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835753410 OKPCGUWDXNOEEN-IBGZPJMESA-N 475.634 0.964 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836397759 WGHOTRWZDGXRKZ-JOCHJYFZSA-N 457.487 0.309 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc([C@@H](C)C#N)c4)C3)C2)CC1 1836768820 DLTSXMJMTXRSJS-RXFWQSSRSA-N 497.596 0.548 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837297648 XKFMZAFKJZXHSU-VNZMSGEBSA-N 473.526 0.751 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837531362 KLKCDDJMEANMQH-USTSCIQPSA-N 465.551 0.444 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ncn(-c4ccccc4)n3)CC2)CC1 1838124421 OBYHANITVHKTDT-UHFFFAOYSA-N 451.483 0.968 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)N1CCN(C)CC1 1839104915 YTQMXGNOYACQOO-MHECFPHRSA-N 490.004 0.918 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131053 JQFJQLGAUHRUGH-BXKMTCNYSA-N 472.542 0.480 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CNC(C)(C)C)C3)C2)c(C#N)c1 1839131876 DYFQYQKXXGWELE-XMMPIXPASA-N 458.559 0.954 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4C)C3)C2)c(C#N)c1 1839132516 INJHUNAPRNFMDO-DEOSSOPVSA-N 467.526 0.771 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)N4CCN(C)CC4)C3)C2)c(C#N)c1 1839133085 ZUWBXJQGVWPXNO-RXFWQSSRSA-N 499.612 0.202 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839204473 RIQQCXMHAULHHJ-SBUREZEXSA-N 480.562 0.412 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1839215700 GWHZWBDNNRYFKU-AVRDEDQJSA-N 460.918 0.902 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1839227394 DQKLXZDHSWLSSC-WZONZLPQSA-N 476.578 0.590 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(S(=O)(=O)CC)cc1)CCO2 1839801711 YKQFSUPNELTYEQ-QHCPKHFHSA-N 462.568 0.893 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NO[C@]4(CCCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 1839805803 QGUYBVDORMTYRN-RPWUZVMVSA-N 490.557 0.622 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839895584 JNPWBOKAXALMBY-SBUREZEXSA-N 495.573 0.865 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)(C1)C2 1840005434 AQPZJBLUUVZNHI-OUSGTUJFSA-N 462.547 0.258 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)[C@@H]2C1 1840010204 QFZSMLDTXDVDDY-PDPLOHQNSA-N 462.547 0.859 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840160510 JCKKNRMWNCBLDW-AUSJPIAWSA-N 461.581 0.301 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1840163455 UIJOVQGBPLBXSZ-ZXJYCPGTSA-N 485.603 0.540 30 20 JCED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)cn1 1840465796 UIMCRZHTSLBWSI-QHCPKHFHSA-N 455.490 0.672 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840497384 XJUSYHULRPHADY-DEOSSOPVSA-N 457.527 0.485 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1840715675 JWTUXEJMFPUSGB-UUOWRZLLSA-N 465.510 0.641 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1840716902 WZXWGSMIAVZVKF-VWQFJMCTSA-N 454.527 0.910 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840801230 RCRDRSTWIIVHKM-VGSWGCGISA-N 455.552 0.949 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n(C)n1 1840818480 FANJHOIZZKNDLM-QHCPKHFHSA-N 469.498 0.449 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]3C[C@@H]3N1C(=O)OC(C)(C)C)CCO2 1840911854 NDUMCWJFQAKLRU-UDYZQQPESA-N 491.585 0.879 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1847070012 SKSLWHFAPTWXOP-MRXNPFEDSA-N 480.525 0.823 30 20 JCED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)n1 17164363 FKAUSJFOROZKKC-OAHLLOKOSA-N 464.525 0.969 30 20 JCED N#Cc1ccnc(N2CCN(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)CC2)c1 29445683 IUUKOFROHCQQQT-JOCHJYFZSA-N 476.537 0.586 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccc(OC)c(F)c3)c2=O)cn1 522381997 HHUYEYHUYLKTAA-CQSZACIVSA-N 485.541 0.917 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(C(N)=O)cc1 522531297 FVFQJMJMWRBKHR-UHFFFAOYSA-N 497.602 0.809 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O 608911233 UIMCMIMGMCDHEW-UHFFFAOYSA-N 499.412 0.265 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cccc(OC(F)(F)F)c2)c1=O 728039958 VRRKVFAHDBLADR-UHFFFAOYSA-N 458.443 0.384 30 20 JCED C=C(Br)CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 728404725 OPDAUPHNELADNY-UHFFFAOYSA-N 452.353 0.860 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCS(C)(=O)=O 729675279 YXQMLXPHPMROGO-UHFFFAOYSA-N 463.581 0.000 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 749384540 HMXYEYZFGVVIOA-SFHVURJKSA-N 476.555 0.698 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 771807641 LBPSBTLRQWGJPZ-WMLDXEAASA-N 476.349 0.686 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCC1(N2CCOCC2)CCCCC1 791260493 WLJOROIJUQMZJA-UHFFFAOYSA-N 478.571 0.420 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)CC2)cc1 913081570 BLLNOZBAZGNQPI-HXUWFJFHSA-N 484.513 0.650 30 20 JCED CN(CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)c1cccs1 914960500 KRKFICKPECYPDV-UHFFFAOYSA-N 490.563 0.768 30 20 JCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCNc1ncccc1C#N 915785148 OHVIAIYFJWTYRC-UHFFFAOYSA-N 472.527 0.449 30 20 JCED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 917354187 IDJCWPMXYAEPIE-UHFFFAOYSA-N 465.557 0.680 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C 918930181 KBNIMEPRGMFIAF-HIFRSBDPSA-N 452.533 0.420 30 20 JCED CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)NCCN1CCOCC1 1125005859 UFQVOWUAEHQGIE-JLMWRMLUSA-N 455.559 0.890 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1=O 1316116039 LUBKFKIWGFGDEV-CTNGQTDRSA-N 481.557 0.653 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC[C@](F)(C#N)C3)CC2)cc1 1447744453 MOOGNCUELRTZJC-FQEVSTJZSA-N 452.508 0.772 30 20 JCED Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)cn1C 1457677503 RZXIQVLCKQOWSB-KRWDZBQOSA-N 456.528 0.486 30 20 JCED CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1469186358 LCVVWEHYFIINNI-UHFFFAOYSA-N 452.533 0.603 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)C1 1555814539 ZFJDWEYMBGZTEO-SJORKVTESA-N 486.620 0.176 30 20 JCED Cc1ccc(NC(=O)c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNS(C)(=O)=O)cc1C 1693114619 BKHMKOJHUJKCJD-LJQANCHMSA-N 486.602 0.873 30 20 JCED COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1697453936 NNXZLMZQVPJJFK-MAUKXSAKSA-N 480.522 0.536 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)n1 1707832148 YZYVUFCXAADYSD-MRXNPFEDSA-N 465.484 0.995 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1723879390 QMKNZQYQKXXSLQ-KRWDZBQOSA-N 461.592 0.770 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CN4CCCC4=O)n3C[C@@H](C)N(C)C)CC2)c1C#N 1742669599 OUPOCYRSRCBYMB-MRXNPFEDSA-N 454.583 0.591 30 20 JCED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1=O 1765487764 QKWBNCPZARMDRA-UHFFFAOYSA-N 494.600 0.951 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1765911564 CNEVODVNTAIPNW-PXNSSMCTSA-N 452.581 0.541 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1768464360 OESKYZVMHUBNGM-IBGZPJMESA-N 485.614 0.852 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1769107831 XAMZQETYWZDBCL-INIZCTEOSA-N 467.596 0.513 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1769380278 OEJHBPKVVUTMTM-HRAATJIYSA-N 476.559 0.662 30 20 JCED N#C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1770747187 MRKQIVVIRWGRRH-CRAIPNDOSA-N 482.360 0.986 30 20 JCED CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1771351989 GGMSVHPRCMETNE-NRFANRHFSA-N 461.544 0.894 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779102022 SMUGFUPXSSQMHV-FAKCTINISA-N 477.474 0.971 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)CC2)CC1 1779104726 GBIWCDHJITXTRQ-DMZUZXHHSA-N 463.579 0.125 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1779319110 VFIBXFSCUSTQLE-OXJNMPFZSA-N 483.447 0.567 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1780876249 YSUFQBOOCANVBO-YLNCNTMDSA-N 458.490 0.843 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1783272315 RIAWDCAIEJOZHZ-FTQGJBRDSA-N 465.595 0.256 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1783602124 KQCANTQRFZBHDH-UZUQRXQVSA-N 489.529 0.786 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783932895 JQAHYVOUCIDEFI-JUJUEEDWSA-N 495.573 0.902 30 20 JCED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C[C@@H]21 1784382027 SLOQDRGPNNHFIM-ZJOUEHCJSA-N 478.553 0.573 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1784786430 XQQNLMDTRNLJDZ-QAETUUGQSA-N 473.592 0.480 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2)NC(=O)OC(C)(C)C 1785305700 ZVPAIWHXIXMJJS-HYFFOGBASA-N 477.566 0.924 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786694832 UJYPLUROIGCGRD-XSLAGTTESA-N 462.547 0.906 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)cc1 1786860543 GZUWRLNBFNBBEX-ACRUOGEOSA-N 469.586 0.986 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1cccn2c(O)nnc12 1787385589 KRFMBFGZMSEIKP-WDSOQIARSA-N 467.526 0.727 30 20 JCED Cc1cc2nnc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/O[C@H]5CCCCO5)C[C@@H]43)c(C)n2n1 1787910522 KUIYRSUCBBFQDM-OTAMJXPLSA-N 485.545 0.863 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=N/O[C@@H]5CCCCO5)[C@H]4C3)ccc21 1788659372 KNQPOKYSNPIOEA-GTPDTVSMSA-N 499.568 0.999 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]3C2)cc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c1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 1794005269 SPZYMIXDAZQDDH-CWPLJXCYSA-N 454.443 0.575 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795597411 IMBULAOYHVVVCU-HATOLVCRSA-N 497.596 0.639 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)cn1 1795887674 AGUYHNMABXEDTM-DMUMMCEESA-N 459.547 0.698 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C/N=C/c1ccco1)C2 1797839395 ASELWPZHFMXYAK-OAPDFWRWSA-N 497.552 0.924 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F)[C@H]1SC(=N)NC1=O 1799745568 UIRMZKWCILLLCB-OYLQLQMYSA-N 459.503 0.703 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1C)C2 1802125838 WZEZAIOXEAYHMT-UKBAYJJMSA-N 457.531 0.905 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1804408841 YHLMWTULJDQTMQ-CNALLMJASA-N 475.546 0.646 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1810355479 BDKZVDHZKHLJCL-VBBNGVEQSA-N 459.547 0.949 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810359427 YFAUFTKXDDPPEU-PZXABKLMSA-N 469.498 0.541 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)NC(=O)OCC)sc2C1 1819470816 QMDNEKBUNQTVAI-PIGZYNQJSA-N 454.505 0.629 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819780411 AYZFCBTWLVCZRC-XWGGLRLASA-N 486.602 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3cnncc3C(=O)O)sc2C1 1820493485 MOXUDUQVBYTSNO-GZTOBOFZSA-N 456.484 0.716 30 20 JCED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC3)c1 1823665178 WUGVVBLKLQQALD-NSHDSACASA-N 456.459 0.931 30 20 JCED CN[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1)C(=O)O 1828806009 IEACHKOPZQKFKV-FDDCHVKYSA-N 471.514 0.415 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4C[C@H](O)CN4)CCN3C(=O)OCc3ccccc3)C2)CC1 1829202512 NTYJMEAIALWGSO-ZYLNGJIFSA-N 481.553 0.465 30 20 JCED COC(OC)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330818 RRHBFKUYRDGQRB-QHCPKHFHSA-N 473.482 0.145 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C3)C2)C1 1829670612 FPWSTDRVPAFMHM-QHCPKHFHSA-N 467.563 0.950 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3Br)C2)C1 1831396650 OSUQHUJOFQAUSO-QRWLVFNGSA-N 466.332 0.952 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1831997996 BFSIHWMYMBBSLQ-KHCICDEESA-N 496.605 0.827 30 20 JCED O=C(COC(=O)C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832190957 OLUUWEUNJXADFE-ZDUSSCGKSA-N 454.295 0.449 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)c1 1832380625 IASNQMKYWXBPMU-MZNJEOGPSA-N 467.526 0.992 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832729505 GKDCUNDPIVDTJZ-FQEVSTJZSA-N 452.458 0.479 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1833565270 CQWRZDVAMQFFLZ-QHCPKHFHSA-N 477.583 0.890 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833828315 YYDIBQUFGCIDNS-JOCHJYFZSA-N 456.886 0.957 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835516032 ORTDYUQZKOXSPP-KRWDZBQOSA-N 472.590 0.793 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1835675528 USNDDUFYZPMFRO-QHCPKHFHSA-N 461.538 0.892 30 20 JCED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1)C(=O)O 1835732253 KDVOTSIEBPCVJK-JWGRYVKWSA-N 450.584 0.092 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835765474 KNKSHZFHUBOOKX-NGONFYQLSA-N 451.568 0.599 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835876842 RKCOEGPSSBPPEK-RCDICMHDSA-N 475.571 0.917 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3Cc4ccccc4C3=O)CCO2)C1 1836591361 VTNSKOZJKXXAJE-SANMLTNESA-N 497.596 0.771 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1837390544 ATSHGVJJKRLXOO-HYBUGGRVSA-N 462.543 0.973 30 20 JCED C[C@@H](Nc1nccs1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443893 SXKKYWJZCHBKJF-RDRJKUMFSA-N 464.592 0.872 30 20 JCED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527699 TUTSXYVEKOPEFU-FWAUGURXSA-N 451.480 0.164 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837918651 MJDUPVOBAIUSPU-HNNXBMFYSA-N 473.534 0.831 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1Br)CCO2 1838075665 AHYBYIPPOUMSTD-GOSISDBHSA-N 452.261 0.002 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838392682 AUOCWPKYSGLXFO-JVWAILMASA-N 471.562 0.659 30 20 JCED O=C(C/N=C/c1ccco1)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838401984 FLLKJHCMBHDUHS-JECJHWOISA-N 462.547 0.348 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc([N+](=O)[O-])c5c4OCO5)CCO3)C2)CC1 1838628169 YMPXBTJNLNKINU-NRFANRHFSA-N 458.427 0.697 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)c1ccc(F)cc1 1838738760 ATBDQXKQIJBKPI-XUZZJYLKSA-N 483.500 0.973 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838808599 GVEIEUWKUHESLU-JOCHJYFZSA-N 456.455 0.188 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(-n5cncn5)c4)CCO3)C2)c1 1839436957 WRAUOCXCBSCIDA-QHCPKHFHSA-N 461.482 0.851 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)c1 1839452238 PUQODCOKHSMKNL-WIOPSUGQSA-N 463.538 0.902 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476588 XTUPQICGEUANEK-NRFANRHFSA-N 467.519 0.849 30 20 JCED CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)COC1 1839489299 XAPAOUVNYXOCRK-HSZRJFAPSA-N 453.499 0.931 30 20 JCED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489359 YRPYKOSHKKKQSV-JOCHJYFZSA-N 454.487 0.031 30 20 JCED C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)CCCN1 1839489370 YWOQAIFLLHZIGP-DHIUTWEWSA-N 452.515 0.647 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3c(C)cccc13)CCO2 1839594278 CTSBWZLTBNPWJE-WEHRJKGCSA-N 467.526 0.800 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1839839674 JCTHQAIXSWDYBW-IIBYNOLFSA-N 451.545 0.767 30 20 JCED CCOC(=O)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1840043199 JLHUAGJIHBRPJN-QFIPXVFZSA-N 462.430 0.160 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)CCO2 1840092953 DZPHYTSDLOLFOA-HXUWFJFHSA-N 484.962 0.378 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110987 PLRCLDLUVBUXEC-IERDGZPVSA-N 455.577 0.678 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840856166 HBHGIMCNNVGTGP-YKSBVNFPSA-N 472.542 0.698 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840907125 PKRYNRGVZTZNFK-WAIKUNEKSA-N 489.529 0.169 30 20 JCED CN(CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C(=O)OC(C)(C)C 1840911915 QNSQQKQLVGESHP-QFIPXVFZSA-N 467.519 0.178 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)CC[C@@H](N)C(N)=O)C3)CC1 1845137182 PVKDCXCBSUCDOB-MRXNPFEDSA-N 476.578 0.323 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1847068526 DQQNAGLSMOQYIK-QVKFZJNVSA-N 451.520 0.722 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1847068747 FSKPHMJVJQBSOP-CVEARBPZSA-N 455.577 0.787 30 20 JCED CCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 19353027 MUPPTVQMFTYKNP-UHFFFAOYSA-N 466.516 0.772 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)nnc12 106185728 AEDCOHYKGUEMQW-AWEZNQCLSA-N 476.584 0.863 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(F)c2F)c1=O 518066779 CWORSGONLYUNDM-CYBMUJFWSA-N 451.495 0.879 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(C(N)=O)cc1 522530713 RIGYBASUXBLYFT-UHFFFAOYSA-N 468.560 0.715 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1-c1ccc(OC)nc1 524411065 ISLHLOHRUBRQHW-UHFFFAOYSA-N 490.463 0.986 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 556556962 FNEOPBOZNSAHFU-IRXDYDNUSA-N 455.558 0.687 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1CCCSC 590997780 DAUJUAHNEXYNET-UHFFFAOYSA-N 491.591 0.666 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1[C@]1(C)NC(=O)NC1=O 604024196 QCRUFZOMYURSGZ-NRFANRHFSA-N 470.511 0.527 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C(=O)c3ccco3)CC2)CC1 608896176 QXGFBUIANZCDHH-UHFFFAOYSA-N 471.539 0.442 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c1=O 608910863 SXGKELGFGNKYLH-UHFFFAOYSA-N 458.496 0.820 30 20 JCED C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 748739167 LVPHCXMIWVIGAF-HNNXBMFYSA-N 474.495 0.346 30 20 JCED C[C@](C#N)(NC(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 825228848 IBRHBBIRCYJLOL-HXUWFJFHSA-N 451.501 0.868 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 839221652 CNIPBIDNPAHNKK-YCPHGPKFSA-N 485.584 0.519 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 849195915 MZSZYWUJRJLPBQ-OALUTQOASA-N 460.600 0.860 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](C)O 887546099 AZHXWJIRFNRGMG-QWQRMKEZSA-N 463.512 0.811 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2Cl)c1=O 916198295 KMEDRZLATPDYHD-UHFFFAOYSA-N 476.986 0.161 30 20 JCED COc1ccc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 916773120 AOFWFBWPARJDHV-UHFFFAOYSA-N 465.509 0.706 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N[C@H](C)C(=O)N2CCCCC2)ccc1F 919074947 IIOZCMLKDKFGFV-CQSZACIVSA-N 455.508 0.964 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 920037800 RKKHAFFUHSHKFC-UHFFFAOYSA-N 466.497 0.215 30 20 JCED COCCN(CCC#N)S(=O)(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1192190258 QWHFZIYBMXXNCX-MRXNPFEDSA-N 458.581 0.748 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 1303639483 FLPXJNNZQURWAM-RDJZCZTQSA-N 467.596 0.798 30 20 JCED CCN1CCN(C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1313951782 WGDGCVDGXPPRLK-QZTJIDSGSA-N 466.656 0.902 30 20 JCED CN(C)S(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1314679112 VVTGVZNUIWYEKL-KRWDZBQOSA-N 455.541 0.603 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1315752286 NCNWLNPLCBSJDQ-SBUREZEXSA-N 470.530 0.564 30 20 JCED COCC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1504758472 VAKGCHMXTZTQKY-OXQOHEQNSA-N 470.596 0.529 30 20 JCED C[C@H](CC(=O)NCc1ccc(N2CCN(C)CC2)nc1)/N=C1/NS(=O)(=O)c2ccccc21 1540677014 SIQKNFCNXCGRDG-MRXNPFEDSA-N 456.572 0.967 30 20 JCED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)C1 1555985865 WLADULNDVHKIHV-DYVFJYSZSA-N 457.557 0.050 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CCO1 1696973992 QCUDSYYDVMLHBD-LJQANCHMSA-N 488.570 0.505 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1705688392 QWWFTPAFUKRLCZ-GFCCVEGCSA-N 468.399 0.170 30 20 JCED CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705977314 RNNMCOKJCHONHH-NRFANRHFSA-N 458.544 0.425 30 20 JCED CN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1710987434 UNCTZPYDFWPVMV-UHFFFAOYSA-N 454.510 0.826 30 20 JCED CCN(c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1764765498 LRQDORWSDHGQHP-MRXNPFEDSA-N 452.562 0.379 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1768245335 JJKVAADQYIXIKZ-HXUWFJFHSA-N 485.614 0.994 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1778362512 NXMPCPCRIGOCOV-ZSVMJGIMSA-N 493.601 0.863 30 20 JCED Cn1c(=O)n(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c2ccccc21 1779100843 FBIZAFLSTPNJGS-UOHCAARNSA-N 485.541 0.699 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)/C=N/N4CCCCC4)C3)CC2)CC1 1779366192 XMQGKFOQTKKCDX-KELNXXOKSA-N 474.650 0.752 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(=O)nc6cccnn56)C4)C3)c2c1 1780060164 LVZSWSQWZYHVRI-DEOSSOPVSA-N 484.476 0.595 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C3)C2)c1 1780203592 LEJYPTSFDPOOAO-JOCHJYFZSA-N 463.454 0.636 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cn3c(nc2=O)SCC3)C1 1780543882 BJZZFIIMYKNAJK-HOOSLVGPSA-N 490.626 0.979 30 20 JCED CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781167157 LITBYEZZGWDPSS-HSZRJFAPSA-N 477.562 0.493 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1781400480 QKIVUWCNPRPCJA-NLSFWIRASA-N 482.578 0.989 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1782893169 JIFUVMRFXTVOCV-MZNJEOGPSA-N 491.589 0.882 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783168305 YNXFHLOZVXVTCE-HKHQJRESSA-N 462.547 0.422 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C)nc3C(F)(F)F)C[C@@H]21 1783531591 LCBZVIFTMFZURV-KIDWBVPLSA-N 469.464 0.891 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C[C@@H]21 1783531737 SSZRCVMILKOGAP-XMPSOHPZSA-N 464.522 0.860 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2)c1ccc(O)cc1 1784013045 RSNXOLJFNVRGJQ-GRYUFTJMSA-N 471.554 0.370 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1)c1ccc(O)cc1 1784013552 FKNSDHCEFJQMTD-WXVUKLJWSA-N 456.543 0.312 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)C(C)C)[C@H]2C1 1784192733 KGRIHECAZYTJHS-VPAKFMSCSA-N 451.564 0.900 30 20 JCED CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1784411882 ZFGPOAULCQQFQP-BZSNNMDCSA-N 491.589 0.643 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H](NC)C(=O)O)CCO2)NC(=O)OC(C)(C)C 1785303775 JPNPVKWPKYKXRI-HKARXFIJSA-N 482.578 0.739 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1785554162 CUFZFAOYMCMQPS-UUOWRZLLSA-N 455.559 0.917 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1785593097 SLJDEBJUOVVAFU-ZGNKEGEESA-N 479.578 0.557 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785784212 RQLZGHIOEJRMST-YZVAWVHESA-N 489.642 0.956 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786799111 RSAPVSKVXULSNU-BURNTYAHSA-N 485.585 0.932 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788256033 HZLXBUZLMWNRMW-LNMJFAINSA-N 459.547 0.183 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1788572400 FTIQWRMZCMCCAX-PYTWLRIVSA-N 466.560 0.005 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1788679816 QJWZDEYQYLACME-JOASTDKCSA-N 485.566 0.583 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)[C@H]2C1 1789289434 NWISGTSFEJUNSQ-DNUAJFIVSA-N 459.455 0.955 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1789891414 YTYUFHGSXMCLKE-DWRORGKVSA-N 473.530 0.084 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327940 HGVMJEGROVNTPT-CJCBUOBESA-N 452.515 0.943 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)ccc12 1791075953 IBUAMVMOZZXMPH-BQFCYCMXSA-N 468.466 0.192 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791079623 VTLVXGLVRSYOHS-KKUMJFAQSA-N 453.467 0.013 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H]5CCNC(=O)C5)[C@H]4C3)c2c1 1791347523 IWZHBQBKHYYPTJ-MRHSLFKSSA-N 450.499 0.554 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793419055 IWHJUDPNMIJXJM-BPKGMFCQSA-N 466.535 0.544 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)[nH]2)C3)c(C(F)(F)F)n1 1795999566 UJSMCQIQFZFEGH-WDAIWFPHSA-N 450.377 0.918 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797103196 ZUPHCPDYUJPDQM-AFIMGQEJSA-N 466.498 0.365 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1797712100 QWKWCMBTXWGNPT-MVJTYMMSSA-N 471.514 0.455 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1797740938 HEHZFIAXGKWTOF-GQKLUMADSA-N 454.531 0.641 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)C1 1797744524 ZLTMUDZIJKQKIV-GAFAPUJVSA-N 493.605 0.276 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798493284 HZYHPROAGWPMIH-YZCFCNCRSA-N 478.590 0.745 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2)N1CCN(C)CC1 1799183674 CGKGRPJNZGGWPH-YPIYEQTHSA-N 455.559 0.163 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1799354108 SSDYITHVMJCTPW-JTJHWIPRSA-N 493.601 0.550 30 20 JCED CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800778464 ADEUIUFLWRRBPQ-QOIOWGMHSA-N 499.511 0.946 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Br)c(F)c1)C2 1800779086 SKICZLMDEZRANW-DBWKPXFBSA-N 453.264 0.808 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1800996090 HNVRTLDYTHPKGF-DMUMMCEESA-N 499.630 0.708 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1801275611 IBGASWGXXMKQEQ-BAAGSCJXSA-N 470.530 0.642 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(F)ccc1[N+](=O)[O-] 1802092867 PNNQHCLWGGOIOA-JLRLZTEKSA-N 460.462 0.724 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1802151947 NCCREBCMHHBTSF-IECFSIQFSA-N 467.563 0.279 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)ccc1F 1808551670 ZIFNWBMEVHSEGK-BPXKWBHBSA-N 478.484 0.939 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1811187282 MFKXNBVEBQSPOP-BKICRHHVSA-N 464.530 0.762 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1814063562 KQVLONAZMFAADB-TUACAJSNSA-N 479.537 0.689 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)[nH]n1 1814439075 YUQGNDPNHAPLHO-MHEJJFAZSA-N 475.502 0.755 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815850817 YAAXQOGNBMOLEM-NSHDSACASA-N 491.599 0.802 30 20 JCED O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828914480 GGZCCOBDYMMTQD-FSTGKYBXSA-N 469.550 0.518 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1nc(N)n[nH]1)CCN2C(=O)OCc1ccccc1 1829124893 WURBKROYVBWTFW-HSZRJFAPSA-N 465.514 0.405 30 20 JCED Cn1cnc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)c1 1829332753 XHNJDYNMSLAMGM-DEOSSOPVSA-N 479.493 0.574 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3C)C2)C1 1829764812 WUXRXPQNSPNMEF-FLJZWSDKSA-N 482.581 0.358 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)cc1 1829901135 WEFZUNOTJDBVBW-QHCPKHFHSA-N 452.467 0.270 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830456623 NXTNRRJYEMTCLU-XMYAASDLSA-N 466.538 0.806 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C2)C1 1831388497 ZBXSYHRETZCKTO-UZUQRXQVSA-N 467.563 0.784 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1831391619 DNCMSNYOQAIZLF-CLOONOSVSA-N 469.538 0.527 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1831485006 KPJKCZSTLNOWBO-YLJYHZDGSA-N 471.601 0.510 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1833467230 NYYUVYDLHVHSSA-KRWDZBQOSA-N 466.542 0.313 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c(O)n1 1833700484 ZDCAAQNRKQCUAO-QHCPKHFHSA-N 469.498 0.373 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)CC2)CC1 1833701876 PVRAUCJZSQBCBX-UHFFFAOYSA-N 460.462 0.936 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834403201 SPOGRDPNNYUCJX-GOSISDBHSA-N 479.578 0.928 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349461 DZSZILFJCBKSCO-GAJHUEQPSA-N 460.531 0.663 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835415407 RWCFWSBHXOUIIY-HSZRJFAPSA-N 456.499 0.016 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)c1ccc(O)cc1 1835437897 PGVNGXXBAZMSON-DVECYGJZSA-N 457.527 0.434 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835495050 FXVAJBAIJSUHSG-GSJUJJHQSA-N 498.540 0.866 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1835677611 RTVVQADBZSCGPQ-QHCPKHFHSA-N 454.531 0.915 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1835677975 SCGYXQUPAQIZMS-QFIPXVFZSA-N 489.964 0.963 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1835757721 UQUZDVLSTDIEHD-FQEVSTJZSA-N 462.547 0.747 30 20 JCED N#Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)CNCP(=O)(O)O)CC3)CC2)ccc1F 1836409098 HUTZYPVIINFKKV-UHFFFAOYSA-N 495.492 0.536 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837139262 WQPGCXIAVFKZNO-CMJOXMDJSA-N 472.498 0.692 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)C1)c1ccccc1 1837207713 DWIMFZNOJVKZLV-WATLYSKOSA-N 487.553 0.705 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837398780 IJJOAWFDARBZLZ-UQCOMZBSSA-N 453.536 0.545 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524568 JSVBSMRWTOPCJG-UWDDZFTESA-N 465.507 0.028 30 20 JCED NC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1ccccc1 1837562726 OHSLBABCCFWIJA-NQXOLCDVSA-N 454.527 0.897 30 20 JCED CCc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)co1 1838135329 GLYKXYJIGHHAKI-KQKDOZOKSA-N 450.492 0.836 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1838173532 VEXPZXULBCTTNW-UHFFFAOYSA-N 460.443 0.699 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccc(Cl)cc3)[nH]n1)CCO2 1838703635 YVBTUHJJDHBLPH-QFIPXVFZSA-N 472.885 0.888 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)C[C@H]1CO2 1839085711 LYCZPGKIEOKAMQ-DPSWKAHMSA-N 490.557 0.525 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5[nH]cnc(=O)c5c4C)C3)C2)c1 1839452948 FZDKDQZZIMMZKB-VWLOTQADSA-N 490.520 0.895 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1839808163 MNDQOMDIVPPQRM-HSZRJFAPSA-N 473.530 0.337 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(O)c3)C2)C1 1840043628 KRUDSCQDEWGMFF-IBGZPJMESA-N 467.272 0.313 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3O1)CCO2 1840135115 HQDCMLPVFKJMMO-YTYIHYLFSA-N 469.538 0.695 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1840202294 LLCNZPYNANXHPZ-FQEVSTJZSA-N 453.417 0.173 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c1 1840551335 VZQLJGUOPRJBJF-HTAPYJJXSA-N 463.556 0.818 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1847436620 RAELUULUOLXVSU-SAJDGTNDSA-N 457.527 0.877 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 29601957 ZWKUQCUHDTUGJI-UHFFFAOYSA-N 483.616 0.757 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CC2)c1=O 500567121 WXXNAJYUCOSWOC-UHFFFAOYSA-N 470.507 0.913 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)CC2)c1 518071517 QOYVSOMZRNJSCS-UHFFFAOYSA-N 454.512 0.780 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3csc([N+](=O)[O-])c3)c2=O)CC1 518714474 PXJFXIDCVAZVIJ-UHFFFAOYSA-N 459.553 0.928 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCc1ccccn1 523180774 HAYAXZVXQGPHSB-UHFFFAOYSA-N 491.529 0.818 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(OC)c(C)c3)c2=O)cn1 523862955 KMEJNFXBXAMJEO-UHFFFAOYSA-N 467.551 0.698 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccccn2)c1=O 589161245 RZKSYDBLPXPEQO-UHFFFAOYSA-N 454.533 0.240 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O 608910983 ANHKSBDJKNABFD-UHFFFAOYSA-N 452.414 0.075 30 20 JCED Cc1nc(/C=C/c2cn(C)c(=O)n(C)c2=O)sc1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 726847812 IOEVZZUUGHMWMZ-CDJQDVQCSA-N 455.496 0.313 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 727010884 PUPLKUUGXBUPOQ-QZTJIDSGSA-N 463.512 0.026 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CCS(C)(=O)=O 729671122 IBGWEWQFKZHHTC-UHFFFAOYSA-N 498.424 0.746 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)CC1 748517905 OQMTYGXEQFOHRP-IBGZPJMESA-N 471.491 0.774 30 20 JCED Cn1c(N)c(C(=O)COC(=O)c2ccccc2N/C=C\C(=O)C(F)(F)F)c(=O)n(C)c1=O 756281076 HOTVOWPXKJZCDP-FPLPWBNLSA-N 454.361 0.763 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCc3cc(=O)n(C)c(=O)n3C)CC2)cc1 818294135 SWAGBULSCUULDG-UHFFFAOYSA-N 463.516 0.400 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 831243390 JEGBUKVMRYGDTC-KBPBESRZSA-N 471.557 0.083 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CSCCS1 1288861905 FYEWUWRJPOMHGT-NUEKZKHPSA-N 471.678 0.913 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1295481923 CAUCMLLLCNEOGE-XMMPIXPASA-N 467.574 0.959 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1315744927 UDEQUTHIYSLABN-GOSISDBHSA-N 487.586 0.393 30 20 JCED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)NCCNS(C)(=O)=O)n2ccc(=[N+](C)C)cc2)N=C1C 1318375461 XFOGGUMZEZTDRB-UHFFFAOYSA-O 480.636 0.864 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCCC2)n1CCNS(C)(=O)=O 1512369025 PVVUPHCAKBCJCC-OAHLLOKOSA-N 459.580 0.862 30 20 JCED CC(C)(C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1541197214 WHVCHXIEFJPASU-LIRRHRJNSA-N 471.559 0.358 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1617388157 ZYYDNSLVRLAVMX-SFHVURJKSA-N 457.560 0.957 30 20 JCED C[C@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1706901997 NAJLZWLSQOBASO-OPYAIIAOSA-N 494.549 0.387 30 20 JCED C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1722540689 OWPPKSANGHBPFU-GOSISDBHSA-N 460.560 0.603 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCc1ccccc1 1723780056 PHDKXBFWENPEHV-HKUYNNGSSA-N 489.602 0.708 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749269098 MXOIOUZIEWCMML-HUUCEWRRSA-N 460.988 0.859 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1769107832 XAMZQETYWZDBCL-MRXNPFEDSA-N 467.596 0.513 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060689 HWDUMZWSBGMHSV-DFBJGRDBSA-N 493.601 0.791 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CCO2 1779135965 LGZWEMAKBNERRF-YGYQLRJYSA-N 489.492 0.726 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)[C@@H](O)C1 1779139415 CQFXMCSMKZZBKW-LQMYNRDGSA-N 490.557 0.756 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1779362445 LVNVRNFMURVUSL-JHZKCOCWSA-N 470.534 0.017 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](S)C(C)C)C2 1779400830 UNEIZPQVKMVPJL-NEYJZJCJSA-N 458.577 0.950 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOC1=O)C2 1780737848 AEFRTORXQWZRPM-VGOFRKELSA-N 451.520 0.852 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1782206726 LPFPWVGHBWVGEF-UKHSJILJSA-N 452.552 0.588 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783604325 JNAZRMNCMAQKCM-KNTRFNDTSA-N 462.572 0.408 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784506285 LJFJKXROWZRLFV-VMXHOPILSA-N 469.579 0.833 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1785573202 SPABFJYBJDNISX-NPMXOYFQSA-N 487.513 0.535 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785631652 XPGYBWHICCOVBF-KSFYIVLOSA-N 465.551 0.181 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 1788657049 XIIJCNKMIHDEPA-AFYSCSKTSA-N 478.571 0.987 30 20 JCED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)cn2[nH]cnc(=O)c12 1789175831 LVQCFASZZMCTBU-CMXBOJOXSA-N 486.529 0.453 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789345268 WTTSEORSELNZOO-ONTIZHBOSA-N 492.573 0.566 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789511001 ARRFLAZQIUBBQL-UVUJQTEASA-N 464.526 0.622 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1792257273 CLYYIECRCORASP-XSLAGTTESA-N 460.535 0.174 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Cn3cncn3)C[C@@H]21 1792257655 ZWKMGCAZYSAISR-DEPCRRQNSA-N 488.589 0.811 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1792489164 KYACSRIJGJAHNZ-KUIZXIRVSA-N 459.459 0.060 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NCC=C 1792491397 SVENRSYDNLKSGX-WGBUWIMHSA-N 474.558 0.351 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1793351815 UUWAVOJUXFIAJR-KYHREEPGSA-N 481.590 0.787 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O)NC(=O)OC(C)(C)C 1793436032 MFPFQVKQULYCKM-ISIBIEBGSA-N 466.579 0.947 30 20 JCED O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1793958473 WZTLJXXYKSHJNS-INUXOSNVSA-N 468.535 0.902 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794005688 BHCBPZMOSNKTLF-VPTLXERWSA-N 454.443 0.332 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)ccc1F 1794112348 QTCWISDGWQAHST-PPSDVSMJSA-N 495.511 0.836 30 20 JCED O=C(CNC(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1794116798 GVLLZTQLMRMIEU-SJSYYZABSA-N 464.544 0.597 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)[C@H]2C1 1795420530 FUHPQGZNRRZJEN-XGZVRMHOSA-N 462.547 0.762 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795454071 XLJKZJOVWUMGKK-CLWJZODNSA-N 462.547 0.115 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)c1Cl 1795730670 SXDGXCVHJCMYNY-IVWMJMPLSA-N 467.873 0.460 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796447265 YZPDEYGPQSJXLM-XEWVVGMWSA-N 479.555 0.920 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797117815 COVLOCNUSQVNEU-FQRJBHLQSA-N 453.467 0.012 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)c1 1797744428 NBEYYDUNENFYTH-NOZHCWEDSA-N 480.562 0.904 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(F)F)c(O[C@H]2CCOC2)c1 1798517618 RZJNCCVEHAAILH-YJXLLHPSSA-N 494.447 0.747 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799239960 RGZRZUGDVTYMRD-WMIGDMCZSA-N 457.531 0.407 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N(C)CC 1800170408 KGTHYPNRNAJLBU-UJWQCDCRSA-N 450.580 0.833 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2)C(C)(C)S 1800906165 HCJBFZHTKFLVBL-DLTLXFJOSA-N 495.602 0.987 30 20 JCED N#CC1(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[C@@H]2c2cccnc2)CC1 1806858783 MYUGHKOZZGRKMR-AJYBTWMASA-N 496.593 0.571 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807149025 CBIMJHZSIQLMSM-PKOBYXMFSA-N 459.620 0.853 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1808423568 UMXLDSSDYVNIQR-QINKANGISA-N 486.594 0.875 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1810362207 YURADFUGWRKRNZ-PLUZVACZSA-N 475.546 0.768 30 20 JCED COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)c(C#N)c1 1815066505 HMVINNQOLSTAFT-ZBFHGGJFSA-N 470.555 0.771 30 20 JCED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815669733 PVHRAEDGXVBXBM-NVXWUHKLSA-N 453.565 0.723 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200059 FLSOWULTVAMRND-BPUTZDHNSA-N 475.502 0.860 30 20 JCED C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2)N1CCN(C)CC1 1822684016 AYLBAFOFDTVZPZ-HOTGVXAUSA-N 461.636 0.973 30 20 JCED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CNC2=O)CC3)c1 1823665177 WUGVVBLKLQQALD-LLVKDONJSA-N 456.459 0.931 30 20 JCED CN(C)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828856103 CEXICTPCQFITRD-HSZRJFAPSA-N 456.499 0.088 30 20 JCED CN[C@@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1)C(=O)O 1828990360 NVMVSZFJJGPFEF-MBSDFSHPSA-N 471.514 0.415 30 20 JCED Cn1nc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)cc1O 1829330850 SNFGKILTMSOAHT-XMMPIXPASA-N 495.492 0.279 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)cc1 1829628138 LHLIJPDJQPSNBH-QHCPKHFHSA-N 482.497 0.752 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 1829762801 RRCDXXOXGDACDC-QZOBCFMQSA-N 486.525 0.842 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC)c3F)C2)C1 1829773835 XBIYPYYWLSTPRN-YLNCNTMDSA-N 461.490 0.763 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5ccncc45)C3)C2)cc1 1829903464 UYZKQVLNNBWTBG-XMMPIXPASA-N 460.494 0.914 30 20 JCED O=C1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CN1 1829944271 BNNIXSKOLQQWBK-JPYJTQIMSA-N 459.930 0.674 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3[C@@H]1O)CCO2 1830819119 MKUHXFXWIXGBKC-AQHVHYGPSA-N 456.539 0.777 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(C(=O)OCC)ncn4c3)C2)C1 1831392406 DJSQVAJVFOUEHS-AVRWGWEMSA-N 498.536 0.619 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1831404588 QPPSAMFHPTUFTP-OFNKIYASSA-N 453.580 0.976 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1831421213 GSRKGCIMQTXMLH-ZHRRBRCNSA-N 464.519 0.823 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831456648 SEKWBVOXFNZUBK-IKSNEBHTSA-N 484.596 0.624 30 20 JCED Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1833043635 WRPBVGJEUNHQER-DEOSSOPVSA-N 467.526 0.907 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1833075868 CBAPSPQNSHEPGX-ARJAWSKDSA-N 461.607 0.139 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833114475 HKGZOOONASJUQP-DVECYGJZSA-N 489.573 0.945 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1833467231 NYYUVYDLHVHSSA-QGZVFWFLSA-N 466.542 0.313 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1833467713 WDBODKINRGLFOG-FQEVSTJZSA-N 459.635 0.376 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2C)CCO3)c(C#N)c1 1833873222 QSXHBOYMZDGZKU-RUZDIDTESA-N 480.521 0.578 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756361 UWAUELMLDFXGSX-NTKDMRAZSA-N 487.557 0.887 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c([N+](=O)[O-])c1 1835345937 LOZGXUYDYUATHP-JOCHJYFZSA-N 458.471 0.906 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cc1F 1835364638 CHNMNCVVBNSFMR-FQEVSTJZSA-N 453.492 0.603 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835531493 QFVFOEBZOFTBDM-PIBDYAPNSA-N 488.585 0.909 30 20 JCED CC(=O)Nc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835677172 KSNZBBMDTWDQIH-RUZDIDTESA-N 485.585 0.926 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835710774 YXHPIYQDMSCERQ-STKBOAFRSA-N 480.610 0.795 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)N4CCOCC4)CC3)CC2)cc1 1835759449 NEJHOUMUWKTQHX-VWLOTQADSA-N 469.586 0.323 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(C(F)(F)F)cn3n1)CCO2 1836289551 WRUYAWSEDJIUKE-SFHVURJKSA-N 452.393 0.732 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1836374359 WUWTZWKRXGYRPO-UGKGYDQZSA-N 463.667 0.767 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1837214862 YUQRJLWWUBQBHC-ZDWFVDTJSA-N 474.514 0.448 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1837396411 CWKOEKPEWUNTLZ-HXOBKFHXSA-N 469.579 0.883 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1 1837445185 IRDPOJUWLCGQDE-IGPUNGKJSA-N 461.567 0.575 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)C(C)(C)C 1837524879 IGKUKKIYZWARQT-PLERZZPGSA-N 482.578 0.523 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)no1 1837544408 AHXOYKFJNAEFOI-FXAWDEMLSA-N 454.549 0.124 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1)c1ccccc1 1837613607 BLPWIOVPNMGWBD-URXFXBBRSA-N 451.527 0.932 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c1 1837797413 KXHDXULFIUOOKX-NRFANRHFSA-N 454.443 0.882 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)c(C#N)c1 1838109120 BLLFWXWCPZKEEU-QFIPXVFZSA-N 456.455 0.573 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c1 1838579433 LARNBTMDGXHWFB-HSZRJFAPSA-N 452.467 0.584 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c1 1838908988 FLKJPDVLAFBNRI-NRFANRHFSA-N 474.564 0.489 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1839173411 OAJLFFZSZDJTNB-UUOWRZLLSA-N 495.573 0.962 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)OC(=O)OCC)C2)C1 1839176330 IGCNEPRVXRGUSR-IIBYNOLFSA-N 456.492 0.514 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)cc1 1839363562 XPUDTSLUEMLGIQ-HSZRJFAPSA-N 461.482 0.574 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(Cc3ccccc3)C(=O)OC)CCO2)C1 1840083538 JIIOEEHOHJLFPB-CJFMBICVSA-N 487.553 0.750 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1840233152 OPSHRDUCNPTBLL-HOOSLVGPSA-N 494.589 0.438 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CC[C@@H]1CCOC1)CCO2 1840589096 YVCMTXXCGKQJIE-FTDNPCGHSA-N 453.536 0.789 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1840906768 JYLWXZDKWVPQIL-CYFREDJKSA-N 494.589 0.228 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1840912766 PZMANJSRUQZNAV-MQNAVGNWSA-N 490.561 0.204 30 20 JCED C[C@@H]1[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCN1C(=O)OC(C)(C)C 1840963231 VUBBVDHUSQKQLC-SEPYTNNBSA-N 479.530 0.176 30 20 JCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H](O)N3CCOCC3)C2)c(C(F)(F)F)n1 1844295225 LYDODJAELAJCFW-KRWDZBQOSA-N 453.421 0.440 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)NC(=O)OCC 1847939891 KFYWJJROXOBQRN-VGWMRTNUSA-N 454.524 0.722 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccnn3C)c2=O)cc1 502058134 YVMOASBULQUEMI-UHFFFAOYSA-N 467.551 0.687 30 20 JCED COC(=O)Cc1c(C(=O)OC)sc(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)c1C(=O)OC 505786145 YLCKSEWKUKSSFI-UHFFFAOYSA-N 476.467 0.721 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OCCOC)c3)c(=O)n2CC)CC1 515690274 LDRMYUIXKRMNKV-UHFFFAOYSA-N 470.595 0.622 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccsc3)c2=O)cn1 523859444 PCFJNZHMVFWIRI-UHFFFAOYSA-N 484.607 0.128 30 20 JCED Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCNS(C)(=O)=O 524282873 PPUKMYDLCRTLAY-UHFFFAOYSA-N 474.589 0.610 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(=O)N(C)C 604270216 UAJATSUKONJTJT-UHFFFAOYSA-N 483.377 0.570 30 20 JCED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1 608912720 WREZTQVVKIQRBM-UHFFFAOYSA-N 474.608 0.201 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)c1 727670701 FSWCEJPNTLUTOA-UHFFFAOYSA-N 457.508 0.830 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)c1 731202121 HCNOWSFIGWAHTN-UHFFFAOYSA-N 472.542 0.925 30 20 JCED CC(C)(C)C(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 749838899 XPTWOUZTMGTSCA-UHFFFAOYSA-N 450.517 0.097 30 20 JCED CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 853671258 KSQUYSIAEVNQGH-AWEZNQCLSA-N 466.516 0.348 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc3nc(O)[nH]c3c2)CC1 914925985 BJFCGNWBFQOYSV-UHFFFAOYSA-N 469.479 0.830 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 916199904 MVCOFVYGDBPWNW-UHFFFAOYSA-N 495.504 0.528 30 20 JCED CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918445518 IQBQBINHWHSLFQ-OZWUBDKWSA-N 451.549 0.859 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)CC2)cc1 1115838046 WFKXDLSYWVOENW-UHFFFAOYSA-N 475.571 0.555 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297738325 PIVHRHZWWXMOID-HXUWFJFHSA-N 489.650 0.988 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1315065930 XCHNMZDKSKPDQE-GOSISDBHSA-N 459.576 0.524 30 20 JCED COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1316070193 RABYDXAEJMQIII-UHFFFAOYSA-N 461.592 0.913 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 1317808560 DUWJATFGYJTJQW-LJQANCHMSA-N 480.612 0.290 30 20 JCED COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1518721412 WLAIFAOMPAAMJX-FQEVSTJZSA-N 497.600 0.992 30 20 JCED CCN1CCN([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1547700117 LLXISYHCMHJEKW-QZTJIDSGSA-N 453.551 0.680 30 20 JCED CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1586644177 RKVKKQWJESDQQY-UHFFFAOYSA-N 458.496 0.984 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CCO1 1696973991 QCUDSYYDVMLHBD-IBGZPJMESA-N 488.570 0.505 30 20 JCED CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729200372 OPMGBHJOACBORY-UHFFFAOYSA-N 460.564 0.444 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)F)CC1 1740821400 GEMXHAKCUVXDLD-ZDUSSCGKSA-N 454.931 0.751 30 20 JCED CCC(CC)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)OC 1743974760 MDVSYSZKOHYDEO-JKSUJKDBSA-N 456.569 0.545 30 20 JCED CCC(CC)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1743998108 VLOVRQAOMAPYFU-GBESFXJTSA-N 483.639 0.706 30 20 JCED Cc1cc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)CC2)no1 1751426833 JRTVPYUVUOFSII-UHFFFAOYSA-N 470.559 0.985 30 20 JCED NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/C(=O)c2cccs2)C1 1778096629 FBLICGPYHZLTDC-NGTCXGGKSA-N 462.572 0.594 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1778362495 NXMPCPCRIGOCOV-PIYXRGFCSA-N 493.601 0.863 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778917538 MDAATZWJPQUMFO-ZDWFVDTJSA-N 457.531 0.182 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779319247 OMRUNFLHOIOQTF-AXHZCLLHSA-N 496.605 0.827 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1779364490 UWFBRHTZIGODDK-SASUPONLSA-N 485.589 0.616 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc(Br)ccc3O)C2)C1 1781194484 NXKAHNSIWVVCRA-LJQANCHMSA-N 451.273 0.615 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1781401253 XBSMVNXIANSIOR-SCYDXJQRSA-N 482.578 0.988 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(Br)c3[N+](=O)[O-])C2)C1 1781927245 GFGASEUBNCZBOL-GOSISDBHSA-N 466.244 0.889 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)cc(C(F)(F)F)c1 1782033351 BKVFEDSSKZVOSB-ABSDTBQOSA-N 452.433 0.743 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782640104 PNBDRZCMWJMONE-UUOWRZLLSA-N 487.557 0.861 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CNC2=O)C3)c1 1782971242 XYVBBGZNBTYMML-SWWFSWNPSA-N 467.526 0.993 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567535 RYAWNHZDSQAACR-QQVQHEQESA-N 461.515 0.692 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783896941 FMADTFPHIMJHDB-CKNLXJGOSA-N 459.565 0.591 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1783921755 SBRNFYDQEYVCGO-IERDGZPVSA-N 473.592 0.720 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1784485135 IEJMCWTWOXUMOR-FKSLSLAPSA-N 467.563 0.280 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCOCCOC)C[C@@H]21 1784494412 ZWLGRVRBACSPCB-FKBYEOEOSA-N 486.606 0.645 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784530791 GADQMXLAGXYLFH-VGSWGCGISA-N 462.551 0.968 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1785576496 DRBINIPMPDBXSI-HJPURHCSSA-N 483.529 0.484 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1785576914 QVULOXOHJJWPLO-MWTRTKDXSA-N 489.529 0.308 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4CCOCC4)cn3)[C@H]2C1 1785723214 TUYLHLPKYJZFMW-VCOUNFBDSA-N 484.601 0.793 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788604080 OKJLCQOIXYMUEB-HLIBSZEHSA-N 467.567 0.281 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788661184 FHQXTCLAAUEOSE-VWEZQDLNSA-N 452.552 0.800 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1789840808 NZJMWCMMZQXSKP-FSGKZVOOSA-N 490.601 0.799 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]2C1 1791142731 DARIIGHWVIPZEH-UFYCRDLUSA-N 474.620 0.582 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21)c1ccc(O)cc1 1791331413 VEOWUEMLKUDAQE-FQFSJJOFSA-N 470.570 0.462 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792282643 MFHNEIHAQLUYAG-NXOAAHMSSA-N 467.567 0.494 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1793599880 IVTVZJCWNKDHMM-LVEJAMMSSA-N 464.563 0.572 30 20 JCED O=C(CNC(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1794116952 VJMCQBZDYGIELQ-UPHUGPLXSA-N 459.568 0.766 30 20 JCED O=C1CN(c2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)n2)CCCN1 1794506512 IWFIMVJZYQSOBK-GYMKTPOBSA-N 497.600 0.083 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cnnc2)cc1 1795494938 TYEMKYFKBZJSSG-RMFSNUHRSA-N 453.499 0.980 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC=C)C2 1797669011 LIPNETAOSXUJTQ-SFNKJDCFSA-N 480.562 0.958 30 20 JCED C[C@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236158 KTNAAOGDPQTNEF-VXIBKDFQSA-N 491.589 0.628 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1799354064 SGLCLJALABWHOI-SBXLSSBRSA-N 481.594 0.323 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1799364936 HNWGMENAIWSYKT-DFGXFYAUSA-N 450.536 0.546 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(Br)cc(F)cn2n1 1800126358 FDPJAMGTEIUAIR-NFFDBFGFSA-N 494.321 0.872 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccn3)nc3ncccc13)C2 1800777784 BCSCZGCRSVIUAR-RSQQPWMTSA-N 471.473 0.983 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=S)NCC)C3)N(C(=O)OC(C)(C)C)C1 1801103152 FHWPNEKESKGIOY-ZMMAXQRCSA-N 495.646 0.626 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C)cn1)C2 1802124931 KRPOZXSEUFEQAI-ZMMAXQRCSA-N 457.531 0.905 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cccnc2C(N)=O)[C@@H]1c1cccnc1 1804806847 CPMBHECXFVXXQD-JUOHCQIYSA-N 462.510 0.754 30 20 JCED Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)c(=O)nc1O 1807151768 OUXBRCROBINSLL-AZUAARDMSA-N 481.557 0.640 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808226723 RLKNFLOBZILMMR-UWJYYQICSA-N 474.514 0.717 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)COc2ccccc2C#N)[C@H]1c1cccnc1)C(=O)C(=O)O 1812393413 JXZGBIZJDXGUFQ-GCJKJVERSA-N 479.493 0.581 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815069719 ITAYASAKALVCBG-GUTXKFCHSA-N 492.602 0.565 30 20 JCED CC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828574504 AUQVOXUOUPRLSL-VWLOTQADSA-N 466.538 0.988 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCN2C(=O)OCc2ccccc2)C1 1828591836 BUKHYOUYYKSOEJ-ULYRPOKDSA-N 476.555 0.865 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1828922637 ONGQBCLPWKFLEC-HOYKHHGWSA-N 496.524 0.340 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCN1CCN(C)CC1)CCN2C(=O)OCc1ccccc1 1828930838 QSCRXBZUZCFLDK-SANMLTNESA-N 481.597 0.709 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330459 HGGDMUJUIXEERL-RUZDIDTESA-N 498.536 0.441 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3CCOCC3)C2)C1 1829332515 PLDUVEHDWOKLEZ-RUZDIDTESA-N 483.521 0.953 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)cc1 1829629984 LPTKKUDYBYSMTB-QHCPKHFHSA-N 451.483 0.757 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C3)C2)C1 1829673249 IFBQFCQWRWKTLH-HOYKHHGWSA-N 495.573 0.865 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830059711 DNQAVYODRKFZDY-KSFYIVLOSA-N 468.551 0.268 30 20 JCED Cn1ncc(I)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213827 ZIKPNOQZXWLQNE-IBGZPJMESA-N 498.321 0.508 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1831221136 FODFCXZWGXVNPQ-LLZJGCNPSA-N 467.566 0.492 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(NC(C)=O)c3)C2)C1 1831397764 XDGARZSZIBAFIF-XDHUDOTRSA-N 473.526 0.762 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1831434097 QVAVFOQLJBPTHT-YVHKJVDXSA-N 455.552 0.947 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC(F)F)cn3)CCO2)C1 1833636565 FWTPHXPEEKEWCH-BTYIYWSLSA-N 453.442 0.791 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835510703 ASKVKPIHPKEEGH-JOCHJYFZSA-N 477.650 0.295 30 20 JCED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1)C(=O)O 1835766522 PLGDVZDIIMGSCZ-NTKDMRAZSA-N 488.541 0.478 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836205636 AZQJVQPWVMIVRQ-VGOFRKELSA-N 478.550 0.204 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1837309556 OVGSUCJEWJBNLZ-KOSHJBKYSA-N 471.558 0.855 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)c1 1837319326 RMTUWVTWZMTBEN-HXUWFJFHSA-N 485.415 0.742 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1cccc1C=O 1837441940 JKBLPAYHVMCWPK-YFMBHZQQSA-N 459.547 0.790 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1837566736 JDCWETIPOUSAKU-XDOYYURNSA-N 472.542 0.556 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1)c1ccccc1 1837614706 VBCNNTIQHFXEDY-URXFXBBRSA-N 451.527 0.932 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837968494 AYZYUJXXOFSEHU-RJGDLVSHSA-N 451.476 0.371 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1838386466 NQVNOBOEZGXTOY-VQTJNVASSA-N 453.580 0.709 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1839069246 SQTFDARZMXPOJW-OHUGHZGNSA-N 492.617 0.701 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1839173270 HHKRFKUFGZHSMA-JOCHJYFZSA-N 453.536 0.259 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839173666 FSXQROTXCHDZAG-JOCHJYFZSA-N 478.502 0.277 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839207204 NHPNIQQXVDLNNK-AIFGKWQTSA-N 474.352 0.899 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1839389089 VQFGPUWWWMODNK-NYYYPAOWSA-N 461.515 0.804 30 20 JCED CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1839401492 KYSVWFFVXDYUOJ-HXUWFJFHSA-N 479.331 0.527 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2Cl)CCO3)CC1 1839424179 RYUVEGUNQOSEGF-QHCPKHFHSA-N 475.977 0.529 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)ccc3-n3ccnn3)CCO2)C1 1839478253 KWRXITCAVFBUME-CYFREDJKSA-N 467.526 0.684 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nc2nccn12 1839548635 BTLSTYGKRCGKIO-RUZDIDTESA-N 481.553 0.806 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CCC4(CC2)OCCO4)CCO3)c1 1839774016 ZNTMWARGCWRSBN-JOCHJYFZSA-N 458.515 0.890 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)CO3)C2)C1 1839810008 YGQPQPGZQUKSLK-KKSFZXQISA-N 487.500 0.347 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)[C@H](C3CCOCC3)CN4)C2)C1 1840041644 ZKEXSKYLQJTYPX-LVXARBLLSA-N 497.548 0.780 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840165074 NAAKIYHGIPDDOU-QYWGDWMGSA-N 455.577 0.678 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/OCC)CCO2)C1 1840312144 NVBZQBGYAKNTQE-IUOPKOMUSA-N 465.547 0.910 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)C2)C1 1840841515 FBSOVULUTINLFT-DEOSSOPVSA-N 467.526 0.363 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(C(=O)OCC)ncn4c3)C2)C1 1840841647 NBUXCXZCUNWSFK-DEOSSOPVSA-N 468.510 0.994 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840844115 DISBBEXFTZOVIZ-MIOZMULLSA-N 491.585 0.738 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCNC3=O)C1 1842564724 GFHDKIJSHLLBTA-OYLFLEFRSA-N 484.557 0.913 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845106683 BQUGHOFPUYACGL-BBWFWOEESA-N 451.564 0.991 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1848128740 KDULNOXMGQDHAS-JYJNAYRXSA-N 488.545 0.327 30 20 JCED C#CCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 18530083 HULMXNDWXGJOBW-UHFFFAOYSA-N 455.920 0.246 30 20 JCED Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(=O)c(C#N)c1C 27945166 HPUFZUBXEPWUOK-UHFFFAOYSA-N 460.472 0.173 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1[N+](=O)[O-] 32832641 WTPJZJGTXMAJKD-LJQANCHMSA-N 451.505 0.718 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3OC)c(=O)n2CCCC(=O)OC)CC1 501772309 FJVNWWRRZDJFBA-UHFFFAOYSA-N 498.605 0.539 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OCCOC)OCO3)c(=O)n1CC=C 520398333 CNVBHVCSNYFWLD-UHFFFAOYSA-N 469.519 0.655 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2csc(C)n2)c1=O 523466743 DOQAIJDQCJVRMC-UHFFFAOYSA-N 461.613 0.378 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCc1cccnc1 524107430 GHNFLYUSZNCWRJ-UHFFFAOYSA-N 488.569 0.844 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1CC(=O)N(C)C 604270475 RBYKEFIKTWIDDA-UHFFFAOYSA-N 496.614 0.992 30 20 JCED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC1CCN(CC#N)CC1 609328932 WNPMIELRHWDKFO-OAQYLSRUSA-N 491.614 0.566 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(C)c3C)c(=O)n2CC(=O)N(C)C)CC1 609416843 RLHRKTYBOUXBNL-UHFFFAOYSA-N 481.622 0.282 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCS(C)(=O)=O 729671102 HFCDTWVWESAZEF-UHFFFAOYSA-N 453.492 0.038 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 800542231 CHIPNSDLOBDINS-UHFFFAOYSA-N 465.532 0.794 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C(=O)C2CCCCC2)CC1 918872400 LPQVSCFBURXXRI-UHFFFAOYSA-N 490.582 0.956 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1455475924 IKOFAISNYKINPP-KRWDZBQOSA-N 451.549 0.930 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1547764438 KQYVWQXUYIMCIG-GAJHUEQPSA-N 453.547 0.615 30 20 JCED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 1555406508 TUMILZDPGVXPFL-FXAWDEMLSA-N 470.530 0.828 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1596297215 LWBYMKLKEQXUIP-HXUWFJFHSA-N 457.510 0.889 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)=O)C1 1698061855 WJUVVCOYZUXUTQ-RTBURBONSA-N 497.622 0.236 30 20 JCED CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1712707044 VMLIFXZRUMVYCW-INIZCTEOSA-N 478.600 0.769 30 20 JCED CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729741715 WHDGWYMKGHJSGL-QGZVFWFLSA-N 460.564 0.662 30 20 JCED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1730998107 JMRISTDABZDYLB-GOSISDBHSA-N 458.544 0.689 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1761271424 QBARJWKDHOZUFE-QGZVFWFLSA-N 466.589 0.768 30 20 JCED CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1764675139 OTMRNGJALMXKOW-OAHLLOKOSA-N 454.539 0.271 30 20 JCED COCCN(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1769780755 QWBAYAMPORFBOO-NQIIRXRSSA-N 483.639 0.709 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778052599 FYTOWTWFJKNUOQ-DEOSSOPVSA-N 480.525 0.997 30 20 JCED O=C(/C=C/C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1)c1cccs1 1779413390 NXPFEAZEVMQRKV-VNPBNPOPSA-N 477.583 0.652 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1nnc3cc(C)nn3c1C)CCO2 1781269418 QGZVORPPZFLWOF-QFIPXVFZSA-N 456.503 0.694 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781310100 AZEPKJFLUOZTGL-HYBUGGRVSA-N 482.541 0.979 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1)C(C)(C)S 1781321090 GFIFBLSZVRBHGX-IIBYNOLFSA-N 475.608 0.427 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195574 GJPANGZYIPRLDD-MHECFPHRSA-N 498.540 0.764 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782197843 DURQAJKENAZYKS-YADHBBJMSA-N 455.471 0.494 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1782634284 ZRSRAKKSQFUBDN-QRXVHFADSA-N 462.547 0.773 30 20 JCED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1785071381 XVIGIICZTWAZPZ-FPSMNIFISA-N 461.515 0.524 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2)NC(=O)OC(C)(C)C 1785307204 ZKBTZOURQHMKTD-WAIKUNEKSA-N 493.561 0.228 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1785593832 GVMFILJTMKEBJR-ZBWOKKAISA-N 480.562 0.348 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785606842 FCILSVKYZQCXRC-SBUREZEXSA-N 482.578 0.568 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787494347 KKSDTCZVXDCQJO-IYXGVVJKSA-N 455.540 0.954 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C[C@@H]21 1788569876 BUEYILGGWNTAQG-WQLZPPOKSA-N 487.597 0.719 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1789934498 GFLSZWCZVCBBLP-YVSFHVDLSA-N 450.536 0.546 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1793341488 WGPNCJMNXMKFKS-FWBPUNABSA-N 493.601 0.622 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1793349464 XZAPOUISTNYDOR-RVDAZCDBSA-N 481.590 0.929 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2 1793349993 UVEMTWLRLRPALA-IECFSIQFSA-N 467.563 0.279 30 20 JCED C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1793432716 AYIPCTUPYQJTBY-BDLOOMQFSA-N 486.635 0.689 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1793823480 SIPUNMNWNPRCRL-JLVBRIDZSA-N 450.586 0.400 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc(Br)nn2c1 1795927293 KNPXFLQHFMYCQY-FAYQHZLMSA-N 476.331 0.733 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ccc(Br)cc2n1 1797314525 OQHBXKABFICMPU-KSPBDQMDSA-N 461.272 0.388 30 20 JCED CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)n1 1797808629 LKTNVSHHEYRGES-NNYDRLTOSA-N 459.503 0.772 30 20 JCED COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cc1 1797817523 PWRKENBPIUJSQR-KNUYXBTBSA-N 489.525 0.971 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)NC)C2 1799231595 HFKPRWXFZDIRSC-CLWJZODNSA-N 464.563 0.409 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1799685645 IVZUEKSIKXJWMF-YXHBDPGZSA-N 474.514 0.875 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)N2CCOCC2)C3)ccc1Br 1799710338 SFCKAJMHFYIAHQ-YNVMFWSZSA-N 493.358 0.175 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1800020921 NRRDZJPGMSTVNA-ADHGMGHFSA-N 489.573 0.920 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)O[C@H]2C1 1800732791 KIFZVCOYSJMHFS-ZBLLQYKHSA-N 474.558 0.904 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1802234220 YWFOBBDPTUWRSW-QTMHVTGLSA-N 467.563 0.803 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806699079 CRTDIJXCZQVROX-UYSKRRQASA-N 484.619 0.477 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808358159 XFKAWDLWTYJLSG-HLIPFELVSA-N 474.514 0.715 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CSc2nc[nH]n2)[C@@H]1c1cccnc1 1813344322 JHZGHUNKZNGYDJ-VPCYTDGVSA-N 455.544 0.856 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1826892625 NDHKCXJJGDIPPD-SFHVURJKSA-N 468.562 0.933 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCN2C(=O)OCc1ccccc1 1829042112 OEESLBGXFSIAFE-YADARESESA-N 466.494 0.055 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCOC3=O)C2)C1 1829260497 QVYYVTWQPMBZPL-QHCPKHFHSA-N 454.483 0.524 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCN2C(=O)OCc1ccccc1 1829261097 OPLCGXYXVRKLPW-XXBNENTESA-N 473.551 0.649 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccno3)C2)C1 1829332388 JGXWDBXITFLHEK-QHCPKHFHSA-N 466.450 0.828 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1830882481 VDBCSRZGPQKGSN-ZHRRBRCNSA-N 468.551 0.268 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831464846 SOJQIFJJYGJPGM-QVKFZJNVSA-N 467.519 0.448 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1831997776 GCSSJDPXQIZPOJ-AOMKIAJQSA-N 463.535 0.949 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1831998228 KVBLDZNEDMDESS-MBSDFSHPSA-N 477.562 0.809 30 20 JCED COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1832579564 XNTHEHBDNAYWHN-RGXRWQALSA-N 473.574 0.951 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1833451865 JIAXRPCCAOMIBZ-LJQANCHMSA-N 496.674 0.584 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncn(C)n4)C3)C2)c(O)n1 1833696350 DZIACNBULOBDHV-QFIPXVFZSA-N 456.503 0.418 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1833863408 SDBUDRFHFRAWIQ-BDNZGDGKSA-N 474.539 0.999 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834327424 LSSMFIKUEYCFEN-UHFFFAOYSA-N 484.605 0.094 30 20 JCED CCc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c1I 1834758595 QCWYRBCIXJJJFP-KRWDZBQOSA-N 487.298 0.560 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)nn1 1835101883 KHFAPZDAJRPWCE-DEOSSOPVSA-N 450.495 0.997 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)COCCOC)CCO2)C1)NC(=O)OC(C)(C)C 1835247687 WPOORKGRJIUOHX-CYFREDJKSA-N 499.605 0.965 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1835356898 RIOUXLDRGIWSDX-QPPBQGQZSA-N 456.543 0.648 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1835677118 IVKDYLHJCZUTSN-QHCPKHFHSA-N 454.531 0.686 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836161465 IXFOFRLQBALRIB-CJFMBICVSA-N 486.569 0.997 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)CCO2 1836260202 VUWWJIJPFUTLNO-XMMPIXPASA-N 467.526 0.363 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccc(C(F)(F)F)cn4n3)CCO2)C1 1836290022 VQCFBCJKTXFRJB-VFNWGFHPSA-N 495.458 0.856 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](C)S)C4)C3)CC2)CC1 1836727546 LJIFXIHTFGMRRD-HOYKHHGWSA-N 496.674 0.484 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc1 1837486902 SPCVYTGHNSTCMV-OZXSUGGESA-N 486.565 0.884 30 20 JCED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1C 1837491132 VBEAKXOFAGWNHO-DEOSSOPVSA-N 458.559 0.751 30 20 JCED Cn1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1Cl 1837531355 KIBFRRHOQKDFKN-AGVQAPASSA-N 469.926 0.673 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837701578 SEXMRINJPXHJBX-OSPHWJPCSA-N 470.526 0.256 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838791463 AOIWEIAATRRKBI-PKZHZFTJSA-N 480.525 0.196 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)ccc1O 1838973910 JTMWIYQAZPHNQO-HEXBWUFUSA-N 477.514 1.000 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839107763 WXUVMPGBRGJBFO-UGKGYDQZSA-N 465.595 0.024 30 20 JCED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131817 APLUYISXWAKCOV-OWSXEPHWSA-N 458.559 0.939 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839188000 GEVOMTBLPZJHFX-GOTSBHOMSA-N 477.489 0.312 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)ccc(OC)c3OC)CCO2)C1 1839374372 USCOPQFEGRBSIR-HJPURHCSSA-N 464.490 0.951 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCc5cnc[nH]5)C4)C3)c2c1 1839487606 OUAIFTCKSSVMPD-QHCPKHFHSA-N 463.498 0.860 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1839840363 AMDNXHQGCLRKCL-VGSWGCGISA-N 465.572 0.908 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1)C(F)(F)F 1839891444 FXNMTWUGFPBQOO-IBGZPJMESA-N 456.421 0.386 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCCC4)c(F)c3)C2)C1 1840043060 FYNNNKVPAKKHTM-QHCPKHFHSA-N 459.474 0.584 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1840143283 PNEDFZUZGBUUII-PABYOWBDSA-N 465.547 0.999 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840158655 OYKVTHJAWLGKKI-YUWJWYLASA-N 475.608 0.689 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(Br)nn4c3)C2)C1 1840159531 GWQTWKVNMISZNI-XIKOKIGWSA-N 484.376 0.880 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1840160582 LSQZQLQBEJOFNW-ACTFIFLWSA-N 487.619 0.379 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840164787 QDXOBSSKVLYPPP-IIBYNOLFSA-N 470.613 0.797 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840174716 UDULVFHJBIHNHV-PNLZDCPESA-N 453.536 0.247 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)cc1C#N 1840763705 NCDVTYUQHPXUQT-DVECYGJZSA-N 470.526 0.552 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1840906964 NBVYVKXCWUTQIX-BXKMTCNYSA-N 488.541 0.774 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1840908687 OLARTUNZMLKHDM-IMWIBFENSA-N 479.574 0.786 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1840908967 SZZOVYWUWPFFHB-ZBSGDCQRSA-N 491.585 0.927 30 20 JCED N#Cc1ccc(N2CCN(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)CC2)nc1 497463332 CMGYJWFRZJOOSR-JOCHJYFZSA-N 476.537 0.586 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)cc1 507492411 HQPUCIQWESRMLR-UHFFFAOYSA-N 464.525 0.825 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CCNS(C)(=O)=O 518211780 JQQXUBICNFSQFZ-UHFFFAOYSA-N 482.653 0.502 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccnn3C)c2=O)cc1F 523299602 WEVASUJAQUKUOX-UHFFFAOYSA-N 453.499 0.906 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(=O)N(C)C 604269823 DVAWRKIPRXREHN-UHFFFAOYSA-N 497.404 0.961 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(C#N)c(Cl)c2)c1=O 608827543 HRBJGJDPHYBKDF-UHFFFAOYSA-N 480.937 0.519 30 20 JCED CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403435 KIBHFZIJEHPXPO-LRPJYJENSA-N 481.600 0.327 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c(OC)c1 726577805 VUYPRNMSYAKGRL-UHFFFAOYSA-N 482.543 0.649 30 20 JCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 728573866 YRTHELDFWNKOEH-LJQANCHMSA-N 475.615 0.555 30 20 JCED CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 748407339 CRYUDHQJMZGMDB-MRXNPFEDSA-N 456.542 0.956 30 20 JCED COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769842870 LCMSRNVEVIBUJM-UHFFFAOYSA-N 474.495 0.452 30 20 JCED CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 919473936 SCXRZHNBHLTXLL-QGZVFWFLSA-N 467.548 0.641 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)c1 927570616 HVNHUYISYMAUQW-HNNXBMFYSA-N 451.501 0.444 30 20 JCED CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1295175204 UZPXEAXKYSKOHT-GOSISDBHSA-N 478.600 0.866 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC12CCOCC2 1301808608 GMVUPVRXYYJHGP-QZTJIDSGSA-N 482.607 0.794 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1301913684 RSONRSOGGOFTPX-HXUWFJFHSA-N 470.530 0.612 30 20 JCED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCOC1 1728797196 ZMIIVFSWWCCTDS-ATZDWAIDSA-N 456.544 0.654 30 20 JCED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CC(=O)N1C 1763089970 REQNDTYTWWFOBH-OAHLLOKOSA-N 458.544 0.423 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1763269075 ISVOOZKWDUZAHC-SBUREZEXSA-N 453.547 0.567 30 20 JCED Cc1cc2nnc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)c(C)n2n1 1779101798 QHQOGCWJFJPZSV-VFJYRVFXSA-N 471.518 0.714 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1779199559 GSPBUHLDVDKHAF-VOBBWUNBSA-N 453.540 0.037 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1)c1ccc(O)cc1 1779317276 HVMZDONUEBVYLQ-XTJBDQBJSA-N 471.554 0.870 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)c3cccc(Br)c3)C2)C1 1780974040 MYSFQVJPGQLVGI-IEBWSBKVSA-N 451.273 0.400 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4ccc(C(F)(F)F)cc4n3)C2)C1 1782176912 NDJSUBHQCYNOOA-IBGZPJMESA-N 450.373 0.885 30 20 JCED CS(=O)(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783134007 RYEXOXPTHPVJJU-DENIHFKCSA-N 463.556 0.886 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)CCO2 1783923131 GAQHIIKVIYSCEZ-VWMXVWASSA-N 476.574 0.766 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784044721 JPVWTLUHOHUJTC-HZCFWTAGSA-N 476.574 0.812 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1785306171 JPNPVKWPKYKXRI-SAHWJRBASA-N 482.578 0.739 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1785573391 VVKWWLNRJAASFO-WZONZLPQSA-N 457.531 0.766 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785609009 JWQDMEDYFDMVOJ-VVBPWWLESA-N 483.566 0.386 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1785728056 OXWXAVIACAXNPR-FDDCHVKYSA-N 473.530 0.966 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787498475 OGDXVAMMRKVAAO-FMCFTNBYSA-N 485.566 0.719 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(C#N)c4Cl)C[C@@H]32)CC1 1788248248 CZDPVJNJHVVMKM-JBACZVJFSA-N 487.988 0.969 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)n3nc(C)ccc3=O)[C@H]2C1 1788731550 PGQZCYUHTIYDOA-CADBVGFASA-N 460.575 0.840 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)[C@H]2C1 1791065435 XLLYSLNIUJHTSY-ZGCDOVMNSA-N 478.549 0.735 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1791221610 GYWHSCMOQYJPBJ-VJANTYMQSA-N 499.630 0.708 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21)c1ccc(O)cc1 1791336173 QLCINNPIEJUDNF-NQOGSSOHSA-N 470.570 0.462 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)NC)C[C@@H]21 1792258145 UCYFDPGASRGKTR-VMXHOPILSA-N 450.580 0.881 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)C1 1792559036 KQNDBZMKPVJPAC-HVJVJISESA-N 498.580 0.918 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1793351818 UUWAVOJUXFIAJR-XQPJFTJZSA-N 481.590 0.787 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793419301 PGXRVEKDGBXHAR-MDMSPXHWSA-N 478.546 0.381 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccnc3C(N)=O)c2c1 1794269043 ROBWAIIAQFMNCO-ZSBFGKGUSA-N 459.466 0.445 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)c1 1794321160 ZDHWBFJEQBPKMP-GTVAPADQSA-N 460.512 0.400 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)[C@H](O)C1 1795081747 NRLOYPDZOQXMRS-VRJGGCKTSA-N 450.536 0.498 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC[C@@H](N)C(N)=O)CC1 1796085842 RLHKCAJXXUSFID-XMTFNYHQSA-N 490.605 0.758 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796480759 ODCFZCQMAVGVQV-NNNWTRQLSA-N 454.527 0.942 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)c2C1 1797315691 SYWSDRAPAUNNFS-SCAQPMJSSA-N 485.545 0.536 30 20 JCED O=C(COC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1797652751 VYHBFGBRVVZKCQ-SRSLHRDFSA-N 468.278 0.037 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)C2 1797714653 ZTZJWLYXDDNRAT-SVKAJCTQSA-N 493.601 0.928 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1797815625 SEYTUTJXJFGHFX-RRGZJZOKSA-N 491.570 0.010 30 20 JCED CCCN1CCN(c2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)cc2)CC1 1800779487 JVWHMHPINWUIPQ-IRJINJETSA-N 468.554 0.510 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1800990525 RGBVAZYJXMHKFJ-RMRDIRSESA-N 483.612 0.229 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)cc1 1802576978 ZPRCVDQICNOKBR-NNMXDRDESA-N 460.494 0.800 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)c[nH]1)C2 1804430849 RXRPBVQYCPLIFS-IVSAIRAKSA-N 458.519 0.907 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]2c2cccnc2)ccc1F 1807192806 CGQJANIPHTXAQI-LLBVYWAGSA-N 466.517 0.934 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810331884 OZEYVOMFWZEJFQ-YADARESESA-N 464.522 0.711 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827401816 OYSCRTSHPIZBBU-IRXDYDNUSA-N 457.535 0.619 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCN2C(=O)OCc1ccccc1 1829226776 FKAPOCZUYIUMDE-CYFREDJKSA-N 454.527 0.986 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1829346751 ZTSQKUSBRCYSQL-XAEMIUIASA-N 474.583 0.893 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnc4CS(C)(=O)=O)C3)C2)C1 1829664983 JODJZZXNURJZIO-QFIPXVFZSA-N 463.556 0.662 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cccnc3)C2)C1 1829764996 DUFPOHNCEWJVKD-KGPYNAKISA-N 457.531 0.197 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1829766011 FUWKFGRUJRENGC-POUSAUBHSA-N 455.511 0.550 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc(C)s3)C2)C1 1829773652 PQTMVKJOQVXDRF-NUTBXXOCSA-N 460.556 0.780 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830050497 LWHMLBVIIMYOPY-AOMKIAJQSA-N 468.551 0.268 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207384 HHAHTESMNWURBL-WSUBETFTSA-N 469.538 0.036 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1831421212 GSRKGCIMQTXMLH-OPAMFIHVSA-N 464.519 0.823 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832424466 ZDGRROHHLUQSFA-NNSWWULUSA-N 480.562 0.374 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2)C(F)(F)F 1833029000 ZEEZQRPAXXDNJS-XCLFUZPHSA-N 486.447 0.568 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnc4c(c3)CCNCC4)CC2)CC1 1833077175 SEIXAGKKFQFQIX-ARJAWSKDSA-N 494.640 0.813 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)[C@@H]5CNC(=O)O5)CC4)CC3)c2c1 1833513863 TXDDCZPUYYHXSW-IBGZPJMESA-N 465.514 0.728 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C3)C2)c(O)n1 1833696187 VCNWFYQQQHWTDM-GAJHUEQPSA-N 495.598 0.657 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834177488 MJMQAUOZICTXBR-JPYJTQIMSA-N 475.546 0.407 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCN5CCOCC5)CCO4)C3)c2c1 1835447389 APMGYGKPJLIVMD-DEOSSOPVSA-N 482.541 0.227 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n(C(F)F)n1 1835677989 SXOLQZKNVQMNEX-NRFANRHFSA-N 468.505 0.939 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835768326 YXWFTGKDJFGUNC-OCCKZLSWSA-N 451.568 0.612 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)s1 1836078268 MEBRYZAXRVPGIO-FQEVSTJZSA-N 450.565 0.127 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)c(C#N)c1 1836128360 KAECFCNOOXYBNZ-VWLOTQADSA-N 496.520 0.589 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2)NC(=O)OC(C)(C)C 1836141182 ADUMNSDJIGSVNU-JPYJTQIMSA-N 492.577 0.594 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1837393436 RHSDQGLHMRKWPY-VGSWGCGISA-N 477.587 0.671 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1837403920 WEQYBLRKYCFCBD-UUOWRZLLSA-N 457.527 0.824 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446634 LVDNFOIMZFPORX-FYNVVKEXSA-N 476.574 0.670 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1837525634 XWIORBFGYORIBA-WUWKPAIXSA-N 453.536 0.931 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1837530961 ADXWGLLDAQQUJX-DTKOAWRHSA-N 467.910 0.729 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837566892 RYKSQPOSNYCAJA-BMUJQWSWSA-N 470.408 0.606 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)n1ccccc1=O 1837681150 SRMVUTKVYXFUTE-KBMIEXCESA-N 464.522 0.980 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)N4C[C@@H]5C[C@H]5C4)C3)C2)c1 1838582475 OCYXPFLDAPVHRR-WDRWKGISSA-N 468.554 0.977 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)nc2ccccc21 1838737126 JOYATTPWKXNFMG-DEOSSOPVSA-N 476.493 0.517 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)C3)C2)c1 1838905576 NIHYFFNLKGYRHO-CJAUYULYSA-N 493.520 0.635 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1838907244 GWLLOBJRSAXMIZ-QFIPXVFZSA-N 451.439 0.430 30 20 JCED CC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1839401257 UKYGXSKEDHYKEB-IBGZPJMESA-N 450.289 0.980 30 20 JCED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487957 OAXMOOLTJQUIJK-QFIPXVFZSA-N 455.471 0.458 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488955 KGDDTKXVKYARDZ-GBXCKJPGSA-N 482.541 0.809 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839666627 COXDYWQAFDUFGV-WVMBUTMQSA-N 474.558 0.229 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718665 HPAUQPANTRREKY-LJQANCHMSA-N 470.429 0.424 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1839809685 HIMUQYOBDQWOEA-HSZRJFAPSA-N 460.531 0.617 30 20 JCED COc1ccc(C(=O)CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840041556 UDINRADNOSHUQS-QHCPKHFHSA-N 458.467 0.203 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)C[C@H]2C1 1840044297 BWECATRYFYAFQH-VWMXVWASSA-N 491.541 0.178 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044462 XZTNFZVTJQGRSU-OGPHDPQKSA-N 491.541 0.319 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(C)=O)C2)C1 1840156214 KPFZCMQBWYDOGT-HTAPYJJXSA-N 484.550 0.268 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1)c1ccc(O)cc1 1840220883 ICKHGMKEKFUWGN-BVZFJXPGSA-N 496.520 0.861 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840344402 DXTTZTFVLMUGFK-GRGOARACSA-N 487.557 0.796 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCN(C)CC4)C3)C2)c1 1840714922 LYRLWVCMXWGLIA-NBGIEHNGSA-N 469.586 0.631 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813755 UAPFVDZHZYCZDI-GAJHUEQPSA-N 480.562 0.676 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1840909001 LFJJQXNHCPFBIX-RLSLOFABSA-N 492.617 0.701 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)ccc1Br 1840921133 DVAMMQGKJYZTKC-IBGZPJMESA-N 480.319 0.059 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COC)C1 1842691600 MUPDQWXSMYGUBY-HNNXBMFYSA-N 454.524 0.642 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)N2CCN(C)CC2)C1 1845100937 DJMTUHNTOVFDJY-MOPGFXCFSA-N 461.607 0.742 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1847080970 WXQIHBNNQVDGCB-QKFKETGDSA-N 483.529 0.704 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@H]1CCCCO1 1847640871 IHAAXBNOWBTGOV-MDYFRJEFSA-N 468.551 0.993 30 20 JCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)C2=O)cc1 10682045 WXEUXARFZYPUFS-DEOSSOPVSA-N 495.492 0.846 30 20 JCED C#CCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 19058816 ADTUDYLFUSROQJ-UHFFFAOYSA-N 499.954 0.372 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(C(N)=O)cc1 522537061 SKWGHWIWKZTMGC-UHFFFAOYSA-N 488.525 0.852 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccc(S(C)(=O)=O)cc3)c2=O)cn1 523183094 QNAIETOHOBNNFA-UHFFFAOYSA-N 497.602 0.644 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O 524122807 SJHVAXRDSGTGQX-UHFFFAOYSA-N 480.468 0.856 30 20 JCED N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)ccc1OCC(F)(F)F 604146021 LYOGTBANOPQQHK-UHFFFAOYSA-N 481.431 0.731 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727221299 LAGIOJTVYKHILT-BTDLBPIBSA-N 453.297 0.879 30 20 JCED C[C@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 729790268 WBCSLZQPEGWPSL-CVIUTVQRSA-N 451.549 0.275 30 20 JCED COc1cc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc(Cl)c1OCC(N)=O 745987087 MCIPYIFADHABIH-UHFFFAOYSA-N 496.977 0.990 30 20 JCED O=C([C@@H]1CSCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCSCC1 747440426 CPTWTYCORPDDGE-HNNXBMFYSA-N 468.626 0.982 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 853707463 JLJJVKZRQSBTKS-HOTGVXAUSA-N 499.611 0.863 30 20 JCED O=c1c(C=NNC(=S)NCCCN2CCOCC2)c(N2CCOCC2)nc2ccccn12 874036916 NZZZZZWNGNWAGI-UHFFFAOYSA-N 459.576 0.051 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 887216605 BPUUGZDGGMHBLX-CQSZACIVSA-N 469.516 0.202 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)ccc1F 914657421 IPWLCZQLAHDSPR-WMLDXEAASA-N 476.548 0.775 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)c1 918272993 XPJVFPPKDBAPTE-CFRMEGHHSA-N 463.438 0.233 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1 1503622897 XZRSSDFBPLZHEK-MRXNPFEDSA-N 466.589 0.627 30 20 JCED COc1cccc(OCCN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 1546007521 YLSGJOLTYNHTPH-UHFFFAOYSA-N 458.540 0.957 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 1588082233 OHVZPEBDFKFEGB-UHFFFAOYSA-N 456.480 0.550 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1706820818 GDAROBZBILCGSE-ZHALLVOQSA-N 480.639 0.033 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1747443053 RKSFWTGRJOUYBP-IBGZPJMESA-N 470.559 0.858 30 20 JCED COCC[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1769559781 JUIRXRUSVLMPEN-FXAWDEMLSA-N 470.596 0.529 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1779323257 OJTVAVBOFIAEMA-IECBHUPTSA-N 496.605 0.827 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1781167935 LWNSANAORYJQOC-YTZAWJCFSA-N 476.574 0.792 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1781251794 ISRRWYKEUSAFRF-HYFFOGBASA-N 452.552 0.810 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1781389969 AWMRNDLKKGMNAT-FOIQADDNSA-N 452.533 0.730 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567677 WAVPCGVDCGQNPF-YGKZAACZSA-N 463.531 0.988 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@H](C)S)C4)C3)CC2)CC1 1783894027 PHNRVWSNWQTLHD-GAJHUEQPSA-N 466.648 0.858 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#Cc4ccc(Cl)cc4)[C@H]3C2)c(=O)nc1O 1783920034 ZONRHJYWULTIKT-IHPCNDPISA-N 484.940 0.942 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CCNC(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089105 ZHZXRWQEEOJIHB-FDDCHVKYSA-N 464.563 0.908 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]2C1 1784097435 YQXURJJFHREKSM-YSMJTFFMSA-N 478.590 0.985 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1784118269 ZNASBRCPSFSDNQ-BXKMTCNYSA-N 488.541 0.307 30 20 JCED CC(C)(C)OC(=O)NCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784821643 JWQLJOBRZBEWRR-ULQDDVLXSA-N 451.520 0.749 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1785572048 HHQVOUKLHLHVMK-BXKMTCNYSA-N 472.542 0.745 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1nc2ncccn2n1 1787937046 DOJXMVKCCBNGAO-MYGLAACXSA-N 457.491 0.247 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1)c1ccc(O)cc1 1788655053 LGBIGLGCKDWKBM-XQQZWPKFSA-N 485.581 0.520 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21)N1CCN(C)CC1 1789800809 VCJUHVZJNAIRGH-ROQCDXFCSA-N 469.586 0.553 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1789934354 UTZNUWAVKOIXQR-PRZNWLQASA-N 495.621 0.714 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CSc5nc[nH]n5)C[C@@H]43)c2c1 1790330714 PCHBPDSWCGENQO-QRTARXTBSA-N 466.527 0.938 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(I)cnn1C)C2 1793356992 GMZOGATVWYIKEK-XPCVCDNBSA-N 488.326 0.819 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795421058 NNYIYIDCGFHORH-ZMMAXQRCSA-N 493.561 0.685 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C 1795580147 NFXGLXFNUXZVSR-MHORFTMASA-N 481.594 0.992 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1799221435 GTEXVJHTUBHUAT-ZMMAXQRCSA-N 493.605 0.887 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3nc5ncccn5n3)C4)c2c1 1799882335 IRPREXOJNPERQB-XOIINTDNSA-N 457.454 0.389 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c(-c4ccsc4)ccnc13)C2 1800776085 RNWUVINLBVBTMB-YVWYUNDQSA-N 465.491 0.749 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801438103 TYGWVVKREQUJHB-QTMHVTGLSA-N 489.577 0.521 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(N)=O)C2)NC(=O)OC(C)(C)C 1801931107 GBNVTHPACOJCLA-OYNZLANYSA-N 481.594 0.882 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccc(C)cc1 1802119756 RAMDGRSQADAUPR-HATOLVCRSA-N 457.527 0.824 30 20 JCED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)c(C(F)(F)F)n1 1807830508 IBJHBKYIACVXSB-COXVUDFISA-N 461.448 0.973 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)[C@H]2c2cccnc2)CC1 1809600666 URKADQCZDAHZPZ-GKFCWMLESA-N 472.590 0.864 30 20 JCED CN1CCC[C@H]1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828617760 KYMKQMHXPZIZFL-CPJSRVTESA-N 482.537 0.621 30 20 JCED Cc1cc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n[nH]1 1829178936 POILZEIRIZEMPR-XMMPIXPASA-N 479.493 0.872 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC#N)C2)C1)n1cnnn1 1829396098 DBDPSXCHLVGLPS-FDDCHVKYSA-N 480.529 0.990 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1829465856 CXNCIJLMCDGEHQ-AREMUKBSSA-N 492.532 0.777 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(F)F)cn3)C2)C1 1829763910 FQBJEKGERQISKL-QJKPHDSHSA-N 480.468 0.611 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)c1 1829773526 VGJAMARSGVSENQ-FQEVSTJZSA-N 461.588 0.850 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1829945121 RREJTZGFAPQOCP-YKSBVNFPSA-N 454.527 0.473 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830663460 CLXKYVFPFRCNSF-XMMPIXPASA-N 470.526 0.843 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1831418750 GMBWVVNCGIHSEF-JCYRRQQNSA-N 489.569 0.213 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831723938 UWPXKMSUDPPXMD-RHGYRFJNSA-N 492.573 0.771 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832003832 DWSPHQXRBVCYRS-YQOVMPOYSA-N 479.574 0.784 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834321726 LBYIYFMFGRAIHV-SBUREZEXSA-N 477.562 0.960 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)on3)CCO2)C1 1834350384 OLWJKLRVJQPVBO-SBUREZEXSA-N 476.530 0.970 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1834755989 GSBJBDKDRMDGQX-QHCPKHFHSA-N 454.483 0.433 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1834945298 YVFAQPXCEXXJEV-MBSDFSHPSA-N 468.595 0.864 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c2ccccc21 1835099175 BFRLDVKFVQIHLD-HHHXNRCGSA-N 488.544 0.848 30 20 JCED Cn1ncc(I)c1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835357298 QZPWQFKIMFIFQP-KRWDZBQOSA-N 487.298 0.398 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1)NC(=O)OC(C)(C)C 1835517037 QEWIDXHKOYLDML-AOMKIAJQSA-N 499.634 0.929 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1835682713 SDJOTWBULBMEIE-DEOSSOPVSA-N 466.542 0.982 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1835710521 QKVRMDLNYHDYSJ-LJQANCHMSA-N 475.634 0.964 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)s1 1836079884 BDOCQCMKVCSFPN-JOCHJYFZSA-N 462.572 0.544 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)N1C[C@@H]2C[C@H]2C1 1837286782 JLULOEDRSMZYOB-FZALXBSSSA-N 478.553 0.845 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1837525325 MCTJVUDUOXAQJG-MFBSEBAMSA-N 466.447 0.787 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1837531138 WXOISIFOQUNYAP-XQHLYRQSSA-N 471.514 0.933 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837562684 BQLGLKZKDFCZAT-JBMWNJKUSA-N 487.469 0.781 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncon1)CCO2)NC(=O)OC(C)(C)C 1838324961 ULTOEMUBMPVQHX-ZHRRBRCNSA-N 479.534 0.999 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838579591 RYERKJPPOSZWEX-QMHKHESXSA-N 458.515 0.552 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2)c1ccc(O)cc1 1838642829 NAIVUHILABRIMD-CLOONOSVSA-N 480.521 0.743 30 20 JCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838741987 KPQKLYPORNCCKK-PNCHPQGNSA-N 458.515 0.936 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1839225956 ZPEOSODWJTYBOA-OPAMFIHVSA-N 491.570 0.935 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)c1ccccc1F 1839233852 RHCVENDDBDMJEY-DHIUTWEWSA-N 460.506 0.937 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)ccc1Br 1839237430 IIOVDJGXCWALAE-HXUWFJFHSA-N 489.330 0.682 30 20 JCED C[C@@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839745289 LSWXRDKWHBQQQQ-FTJBHMTQSA-N 493.564 0.770 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1839801606 SBGXAYXCEQPCCH-JOCHJYFZSA-N 463.556 0.783 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(Br)c3F)C2)C1 1840039760 HGLXJYPHWGROQB-FQEVSTJZSA-N 483.290 0.675 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840071740 GWKCQEFAYUZSJK-IMRHEYAYSA-N 480.562 0.507 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1840820160 BMLFHQRZUSRFJY-XMMPIXPASA-N 483.477 0.824 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841893454 NBMHIFWKBGSPIB-KRWDZBQOSA-N 484.619 0.390 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845581972 BXLSWHLTJAIAPO-AWEZNQCLSA-N 458.482 0.860 30 20 JCED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845874218 IPUJFBDDDZVXKC-UONOGXRCSA-N 456.515 0.581 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1=O 27482381 KLVJDKJGRSGHDM-UHFFFAOYSA-N 475.571 0.125 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 106037773 XLYXJWMDDLZOSV-HOTGVXAUSA-N 489.602 0.649 30 20 JCED N#Cc1ccc(CN2CCN(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 503216415 MGXTUCUFQXZUSB-UHFFFAOYSA-N 497.625 0.932 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](C(=O)NCC3CC3)C2)CC1 514457480 RFFVDZREIDMCPV-FQEVSTJZSA-N 473.599 0.629 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC)c2=O)c1 515683240 UMIZITBBAKVOCF-UHFFFAOYSA-N 470.595 0.670 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC)n(-c2ccc(OC)nc2)c1=O 524234956 BJQJWAKVKMGTHQ-UHFFFAOYSA-N 481.490 0.859 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCCSC 590995742 WWVKMAMVNUKOAS-UHFFFAOYSA-N 462.553 0.837 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O 608911618 LZVQQQNWVSSEFZ-UHFFFAOYSA-N 468.457 0.070 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)c3cc(Cl)cc(Cl)c3)n(CC(N)=O)c2=O)cn1 727161234 SHJCXKMLZKBUJW-UHFFFAOYSA-N 462.318 0.821 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccccc2Br)c1=O 727164126 LEMCGTHWJAVJJN-UHFFFAOYSA-N 453.343 0.248 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 728536346 WUFZHIGTLCERDN-CALCHBBNSA-N 497.017 0.645 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 729675238 WIOVNDHBXWKJFV-UHFFFAOYSA-N 490.563 0.424 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1 749275208 YXTJPTQOAFSXSF-UHFFFAOYSA-N 466.422 0.413 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 811833878 XJXYAFXMMRMAFO-OAHLLOKOSA-N 493.563 0.150 30 20 JCED COCCn1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c1C 839376792 PAOWKBOBYBHOTH-UHFFFAOYSA-N 456.568 0.671 30 20 JCED C[C@@]1(C2CC2)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 917013068 GWBQDAMKVGTSGA-VGSWGCGISA-N 468.470 0.673 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)s2)c1 918244505 CZRDVNJVPSDFCN-PXLXIMEGSA-N 499.596 0.463 30 20 JCED CN1C(=O)c2ccc(NC(=O)COC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2C1=O 919316545 ZRAOSOYMAUFKAD-UHFFFAOYSA-N 455.448 0.881 30 20 JCED CC(C)[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 919318227 GMVFMIWEAZQMJE-WMZOPIPTSA-N 456.542 0.344 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 928870799 XBWVCNNHLSTDMO-YOEHRIQHSA-N 478.571 0.940 30 20 JCED CS(=O)(=O)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1302449769 TZAOIORMSVHGKL-UHFFFAOYSA-N 478.600 0.723 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCC(O)CC1 1509686019 VZUFRSLUUVOFHU-UHFFFAOYSA-N 481.605 0.856 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1510295344 YNMBWYPMUJJXQV-HZPDHXFCSA-N 470.621 0.592 30 20 JCED COCC[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1555426339 IJSKBCHHDJUHTH-SIKLNZKXSA-N 492.602 0.907 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1593807370 KERAJBRFUZUXDL-KBPBESRZSA-N 469.033 0.749 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690219834 MCWHZAHNLUJKTG-CHWSQXEVSA-N 461.386 0.998 30 20 JCED CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1746682303 BZUWWMOMXBUACO-OAQYLSRUSA-N 467.592 1.000 30 20 JCED CCO[C@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCNS(C)(=O)=O)CCOC1 1765912496 IZBKWZIWAMJCPW-JOCHJYFZSA-N 489.602 0.678 30 20 JCED CN(CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)CC(F)(F)F 1767327689 NVGAFSLVPQBWMC-WMLDXEAASA-N 497.519 0.937 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1779331575 YRUWUZHEGKWGDJ-FGDDKPPBSA-N 483.606 0.959 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1780809376 VMRKCTPAARLZHP-VLVHOKLOSA-N 451.612 0.937 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1781169458 QYZGXKPOQFAVRS-PMAPCBKXSA-N 464.563 0.648 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781250647 DCHTVMMKHUIXLD-DRMXPCRNSA-N 472.542 0.822 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781352785 FVCSUMBTORROEZ-MSISTTHUSA-N 481.594 0.564 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783151016 JXZUDPIAVNPHRI-UZUQRXQVSA-N 464.563 0.779 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1784484791 CDBBGDYYRJHZAZ-HLXURNFRSA-N 479.574 0.232 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784534818 QKEGXZUSNZOTBL-KDDMCQSNSA-N 464.588 0.927 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1785577496 XNWVCERHQLOWHE-MWTRTKDXSA-N 475.546 0.789 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1785596188 GYJFFDKNOCOPGG-UZFJHSOTSA-N 495.646 0.770 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]3C2)c(O)n1 1786644772 RHXOIGUHIQLBSN-WBAXXEDZSA-N 451.545 0.544 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1786678457 VEDNHYAXNMCFOW-AVEIZBFRSA-N 462.547 0.161 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]2C1 1786844477 KCYDHKWEJHOWAL-SPOLIRPYSA-N 468.595 0.799 30 20 JCED CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1)C(=O)C(=O)O 1787510995 UTFZODSALPSUDM-ZKORBPAESA-N 463.512 0.010 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)[C@H]2C1 1788093449 XUOLYYXBUKKFBQ-RDWCLUPISA-N 493.601 0.622 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1788603167 BJQFJPNNHNYUPM-KNIIRZAFSA-N 472.571 0.821 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1789892411 XWQGTTSDKOWBSR-DEPCRRQNSA-N 461.559 0.877 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=N)N)C[C@@H]32)ccc1Br 1790197563 RLMKQZRNSCWRLQ-NOLJZWGESA-N 463.336 0.397 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C[C@@H]21 1790788796 LQDKIJYQKAJCNF-BJLQDIEVSA-N 498.584 0.760 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1792266912 KIXUEKRKFYIERW-JCHKBEJOSA-N 493.605 0.707 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)nc1 1794427087 VPJOPSNFDQMFQV-UHXXWTPBSA-N 480.543 0.217 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798493714 HNYLEATYTPCRAR-CVGSJKEPSA-N 453.492 0.648 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)C(C)C 1799385632 OZFLUHUFHFYERX-AINOVGTFSA-N 488.585 0.361 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)C3)c1 1799799733 TYIDKCRFBDPSES-LKIBZCMFSA-N 455.540 0.872 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)CO2)C1 1800710067 GLMJJPSNXCNLEU-BMFAXAFESA-N 462.547 0.906 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1I)C2 1800773487 FVIAQOJDSHWKQJ-HBCWATKFSA-N 482.274 0.511 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccco1)C2 1802124430 AOGVLOJVXCFJNL-DFGXFYAUSA-N 459.499 0.969 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(C)C)C2 1802126260 JNOQBIDRJUVWIA-DMUMMCEESA-N 450.580 0.833 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c(O)n1 1805143237 UGRKZLBSOMUURJ-RDPSFJRHSA-N 497.596 0.907 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810362211 YURADFUGWRKRNZ-ZDAJBLSRSA-N 475.546 0.768 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1810559819 OOHNJIBQEFZMJJ-UFYCRDLUSA-N 458.563 0.520 30 20 JCED CNC(=S)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2 1819806011 ZSNKSCSDNPRGDX-LBPRGKRZSA-N 451.622 0.821 30 20 JCED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CNC2=O)CC3)cc1 1823486695 ILITYKDCZIKFHW-CQSZACIVSA-N 452.496 0.987 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)[C@@H](O)N3CCOCC3)CC4)c2c1 1823891740 HWOHRQGWGYKWQR-LRTDBIEQSA-N 481.538 0.767 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)cc1 1829631150 HEGJYSUZMOGSBF-JOCHJYFZSA-N 459.572 0.964 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)CCO2)C1 1831255461 QHLVUBKQFGXFJB-SQJMNOBHSA-N 483.569 0.918 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CS(=O)(=O)CC)CCO2)c1ccc(O)cc1 1831345924 RFDVDZOBKFSSRQ-YKSBVNFPSA-N 492.594 0.780 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831402014 LMSBOTPZMKUGNM-FZZNZUPLSA-N 467.522 0.391 30 20 JCED Cc1onc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1C 1831977204 CQWXEZDJUBSXPD-DTXYYNOZSA-N 450.492 0.890 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251238 DSHVANZLLKVQMI-QGZVFWFLSA-N 452.401 0.992 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)ccnc1Cl)CCO2 1833247309 WEVFTJGSNYISDB-VKUXZERMSA-N 466.897 0.803 30 20 JCED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(C#N)c[nH]4)CC3)CC2)CC1 1835511242 PKRWBURKLLQZDQ-UHFFFAOYSA-N 469.590 0.236 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1835682445 JHKAMXAONFUMDR-DEOSSOPVSA-N 468.558 0.775 30 20 JCED CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1)C(=O)O 1835750400 XORZWXJFYZXUBG-HXUWFJFHSA-N 462.591 0.319 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835765949 RMXQTRRGCFAQIB-CVMHLPAOSA-N 486.635 0.768 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1835767519 CHWUEXRVQIDTHE-DIVQNALZSA-N 463.579 0.709 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)c1ccnnc1O 1836062944 QSNATCCOKKBEEG-FBTHGLLTSA-N 460.535 0.896 30 20 JCED COC(=O)c1ccc(CC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)s1 1836334646 FCAKROPBQULHMH-UHFFFAOYSA-N 461.540 0.737 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)COc3ccc(O)nn3)CC2)CC1 1836504854 ONSJSCFGWVCCAZ-SFHVURJKSA-N 461.563 0.706 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1 1836862727 VZROBYFWJVGFDL-QGZVFWFLSA-N 474.514 0.793 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc4ncnn4c2)CCO3)c1 1837169929 VJCCJYQDHJQDEA-DEOSSOPVSA-N 476.493 0.993 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CSCc1[nH]cnc1C)CCO2 1837327684 ZCWPATFBMAGVCS-XSAUMEDDSA-N 477.587 0.266 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@H](C(=O)OC)C3)C2)C1 1837403673 XPQKPZMSLAWSNA-LYXWCMDISA-N 466.575 0.995 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837443410 JLGDSDGXPSJQOS-HMBQRMAMSA-N 469.586 0.629 30 20 JCED COc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837524276 DPHDPIIHVXEKHB-PTJKWTKHSA-N 462.503 0.689 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1837526106 BOWKEFKGBOFAID-PPIYXURKSA-N 489.525 0.943 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2 1838472378 HVQUBNDVXMUECC-QHCPKHFHSA-N 455.515 0.595 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1839131285 VXHIWVOAQIXRFE-HSZRJFAPSA-N 475.546 0.897 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)ccc1F 1839187397 ZSBOFMTZLJHSFI-JOCHJYFZSA-N 471.445 0.211 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839207283 NHPNIQQXVDLNNK-WEIACGKOSA-N 474.352 0.899 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1839227400 POAFBUSMFIGWKM-JPYJTQIMSA-N 477.562 0.544 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)cc1 1839362991 BZKVHOIPIMLQBZ-WEHRJKGCSA-N 452.511 0.657 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839380327 DBBVDTUKCREBFD-YKSBVNFPSA-N 469.542 0.910 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)n1 1839420417 HYUHSDPHVMIYGS-HSZRJFAPSA-N 471.489 0.924 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)c1 1839421136 XSXJPSPSLVMQHB-QHCPKHFHSA-N 467.457 0.801 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488522 WYWRXPYEOWLPIV-HJPURHCSSA-N 478.513 0.432 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839988005 QKBBVMHEZJJJHV-KPSNGJBRSA-N 484.550 0.497 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840008755 QBXNZUWZIGUSLN-HXOBKFHXSA-N 463.531 0.102 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C1CC1 1840039745 GTBXRWPDDUFFJQ-UZUQRXQVSA-N 479.530 0.224 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c2cc(O)ccc2n1 1840042300 MLCZVZJPOCGSQJ-QHCPKHFHSA-N 453.451 0.407 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840158652 OYKVTHJAWLGKKI-FAPUVCABSA-N 475.608 0.689 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1840177291 WDDFPIZBPADOJS-BJKOFHAPSA-N 473.526 0.563 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cc1ccccn1)CCO2 1840330672 LTKUZLQHJOPQNS-RHPOUKCLSA-N 456.543 0.575 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(C)nc1C)CCO2 1840336224 MIHFKGYAKLJERZ-SOONCWKUSA-N 470.570 0.946 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnn(C)c4)CCO3)C2)c1 1840465651 KVPRKWLVGBIMEM-HSZRJFAPSA-N 453.499 0.613 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C3)C2)c1 1840714326 QCCLEWUJQICONO-FYSMJZIKSA-N 491.508 0.428 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1)NC(=O)OC(C)(C)C 1840795398 GGFUYZOZZVNDFS-AXHZCLLHSA-N 478.590 0.830 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840856016 BGUITQQLXPMZDA-RCZVLFRGSA-N 471.529 0.743 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1 1841301179 FDNPTMZFTVWWLM-IRXDYDNUSA-N 494.589 0.992 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842873347 MTONNCDTQHTFGV-CQSZACIVSA-N 460.468 0.384 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(OC)OC)C2 1844215322 UKAHYSOAPGJKLK-OAHLLOKOSA-N 484.550 0.614 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CN(Cc2ccccc2)C(=O)C(F)(F)F)C1 1845190591 DZIALTWDRONRFR-UHFFFAOYSA-N 451.401 0.869 30 20 JCED N#CCc1ccc(C(=O)N2CCCC23CN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)cc1 1845412988 VDSCKJKHJFYPOO-RBUKOAKNSA-N 481.578 0.750 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1nc3c(Br)cc(F)cn3n1)C2 1846196756 KZKTUENRBQNPIS-UHFFFAOYSA-N 450.224 0.536 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O)C(C)(C)S 1848070479 DRJHQAFNIOPYKW-HEHGZKQESA-N 483.591 0.342 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 523258071 VROUORBQPJYGES-UHFFFAOYSA-N 495.586 0.379 30 20 JCED COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O 590709570 LEIWRFLLLVDIDE-UHFFFAOYSA-N 475.527 0.631 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1 642786940 SCHSTSWBHPGBQX-UHFFFAOYSA-N 491.570 0.803 30 20 JCED Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(O)c1O 727003845 IFMXOMLBKMMSFI-UHFFFAOYSA-N 459.480 0.968 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(-n3cnnc3)cc2)CC1 727521143 XFJNBITXMZCGHO-UHFFFAOYSA-N 480.506 0.829 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)CC2)o1 915377775 FMAXMOMJNNPUDR-FPTDNZKUSA-N 472.502 0.547 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3CCO)c1 918450053 QZEAIFUPKILVBV-IBGRPIGGSA-N 488.570 0.821 30 20 JCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 920923115 QJHKOKGABDHCSR-UHFFFAOYSA-N 465.514 0.182 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1303470035 NCBBTZVVQFTJCH-UHFFFAOYSA-N 461.592 0.913 30 20 JCED CCOC1CC(O)(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1 1314254728 RBEYGGNTXCUNOG-UHFFFAOYSA-N 468.562 0.940 30 20 JCED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 1438409296 ORFSOWDUGKJUAV-LJQANCHMSA-N 450.561 0.782 30 20 JCED C[C@H]1CN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1512368876 XCGIHJVTLYNTEY-XDNAFOTISA-N 466.608 0.797 30 20 JCED N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)CCO1 1521122808 ZXYVFISVDBYSRT-SFHVURJKSA-N 487.948 0.839 30 20 JCED CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCC1 1620225061 YJTRTPHQZAHNIF-CABCVRRESA-N 456.594 0.625 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(S(=O)(=O)NC)c2)CCOC1 1696094457 QNCZYIFDMDILNG-DYESRHJHSA-N 476.559 0.615 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1723956241 LFDROKXVJRLOSM-HZPDHXFCSA-N 453.569 0.410 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)c1cnc(O)nc1O 1778007068 MPNNKIKXLMWGHA-VGOFRKELSA-N 458.515 0.714 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778052601 FYTOWTWFJKNUOQ-XMMPIXPASA-N 480.525 0.997 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778080678 JXRMLYHJIYZCHO-WIEQDCTASA-N 453.467 0.252 30 20 JCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)nc4cccnn34)C2)CCC1 1780040328 WWPURIBRDNHOBZ-UZUQRXQVSA-N 450.499 0.911 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)c1 1780168971 XBTDWCRSCGVIRE-HSZRJFAPSA-N 464.482 0.264 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781903282 UENZAXPBFIMJOY-OXQOHEQNSA-N 495.330 0.829 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)C2)C1 1783020685 XZQHNSNRJJBPKS-JPYJTQIMSA-N 462.568 0.891 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)CC1 1783112636 SFULPFISHKEADA-HOYKHHGWSA-N 492.573 0.141 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncn3-c3ccncc3)C[C@@H]21 1783530242 MKTZRELBRRVZBE-FQUWNOGJSA-N 464.526 0.719 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566682 YKKZKNQLMYAAEJ-DQEYMECFSA-N 485.537 0.170 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1783643658 XFQRTRAQPANPQA-KNXBSLHKSA-N 450.536 0.880 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)C1 1783768942 TYKFKRVZVWVBRH-PMAPCBKXSA-N 482.578 0.437 30 20 JCED COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1784512246 LPRDQJRTGIYKCG-BZSNNMDCSA-N 452.573 0.571 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)C1 1786695965 QTAJVROSGWEHLY-VMXHOPILSA-N 476.574 0.888 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1787124800 LWZXRWZHVACMNJ-HLXURNFRSA-N 479.574 0.375 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3C2)cc1C#N 1789766824 YAPJWMPFINDAFG-OYJIISJGSA-N 456.543 0.662 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H]5CCCS5(=O)=O)[C@H]4C3)c2c1 1790751046 RGIVCZFJWFYUQG-OYSPMZIOSA-N 471.539 0.605 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C[C@@H]21 1792171318 QCDVMAUTNYVTKH-UFYCRDLUSA-N 481.590 0.937 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCN(C)CC3)cc1)C2 1792486688 TXHDPVOWLJKORR-DTDMMECASA-N 481.597 0.500 30 20 JCED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1792629784 UDKNZNJMEGYKCH-UPHUGPLXSA-N 452.511 0.741 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NCc1ccc(OC)cc1)C2 1793346335 LRGQNHCSXSKGFE-ZLWLXJDCSA-N 471.554 0.720 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2 1793355787 QUYOYHYXHATMSY-UYTYNIKBSA-N 455.552 0.707 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)C2 1793360114 FQQOAJHLMLARAK-TZGYDXHLSA-N 481.590 0.928 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795082245 BDVURUGRQYOVAX-DFGXFYAUSA-N 479.582 0.036 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795418615 HQIYBHDBUJARRV-KYHPRHEASA-N 479.582 0.036 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nnc(C)s1 1795824095 NENWWQLGDRCQGY-RCJHGTSTSA-N 477.587 0.895 30 20 JCED Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C/N=C/c3ccco3)C4)cnc2s1 1797064474 LVGBKDXYWCNMLO-ONPAUUETSA-N 469.523 0.980 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1797789151 AINQYAXLXLCEEN-JSJNYSNDSA-N 461.446 0.395 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)C1 1799200109 RHOLDIOPPAWHSH-LFBQXAIUSA-N 493.605 0.276 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 1799333946 OWHJYZWCOCZMQC-MIVVTYSHSA-N 495.573 0.769 30 20 JCED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1)C(=O)O 1799708476 WTWTZBCYRKPDLF-KPEUIFRASA-N 479.331 0.587 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c(I)c1)C2 1800779775 VMCKZNGLDJGFBV-DPIQGUFMSA-N 484.246 0.288 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2 1800800307 YNSVUGBMXWHZBP-JAPOXJDPSA-N 487.619 0.987 30 20 JCED CCOC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)CC1 1801986684 KMUHEVIBYDKPCM-REPLKXPHSA-N 463.579 0.726 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(C)=O)[nH]n1)C2 1802124868 JIOMONDIJOLELQ-RCJHGTSTSA-N 473.530 0.732 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)Cc2cn3c(nc2=O)SCC3)[C@H]1c1cccnc1 1807368959 WQCXVHUIUIBSRU-MGPUTAFESA-N 467.507 0.081 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cnncc2C(=O)O)[C@H]1c1cccnc1 1810792615 HILHIQHCIBNURF-WUDFEMJASA-N 464.482 0.748 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879005 CYABPIGQKAWGOQ-CBGDNZLLSA-N 474.514 0.451 30 20 JCED COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](O)N4CCOCC4)sc3C2)c(C#N)c1 1819891451 QQSPETIEBKBPMD-OPAMFIHVSA-N 485.566 0.829 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 1829460990 DSCAOXSYFSFJFO-QHCPKHFHSA-N 475.567 0.897 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)C3)C2)C1 1829664772 AAGVXOOINUGBKK-VWLOTQADSA-N 483.569 0.444 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1829760055 PCKPXDMTJGOBRT-VKUXZERMSA-N 464.906 0.369 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccc(Cl)cc3)C2)C1 1829762871 USGWGPSYBMSNNC-YLNCNTMDSA-N 475.929 0.838 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1829771857 XTYYQMDMNUANOF-IYZQMXKPSA-N 453.499 0.491 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)c2ccco2)CCO3)c1 1829826031 OZKUFMUZLIXDIQ-NZQKXSOJSA-N 455.467 0.963 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830060595 PSUHVGWGCDVMSY-MWTRTKDXSA-N 460.506 0.950 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C)C2)C1 1831391433 BCFZGPWEHHSGMO-AJGMTHFWSA-N 493.601 0.984 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3C)OCCO4)C2)C1 1831393946 SLZKKEGWXMXJSD-HOYKHHGWSA-N 458.511 0.875 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CC3)C2)C1 1831394063 UOQGJMOXRPCNLG-WVMBUTMQSA-N 479.574 0.784 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1831398557 HAGKNIMSUONLGX-MWTRTKDXSA-N 454.483 0.444 30 20 JCED Cc1noc(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1832558112 XGGYELBRWKEPFH-DEOSSOPVSA-N 459.543 0.989 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1832692593 XXNIYLZKQFSXID-HTAPYJJXSA-N 478.622 0.092 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ncccc1OC)CCO2 1832855590 NDHKVNYBXFAABI-QZOBCFMQSA-N 472.542 0.338 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCC4)CC2)CC1 1833075042 LZFOXBHULVKORI-WAYWQWQTSA-N 454.575 0.873 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1833610916 UDUIBXZECHLPIQ-OALUTQOASA-N 466.627 0.313 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1833689632 XOUSWOYJTUOBHM-UHFFFAOYSA-N 461.563 0.676 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@]3(C1)CN(C(=O)C1(C#N)CC1)CCO3)C2 1835346656 NPUNVPWNBNAUJZ-XDHUDOTRSA-N 485.541 0.382 30 20 JCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1835440654 WVAYZHSLFFEBGH-HNNXBMFYSA-N 460.666 0.548 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731698 ROAJDANNFCSSOQ-YZYPULCFSA-N 494.637 0.873 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835766695 MWRKXMVMDWWSKG-VGSWGCGISA-N 453.584 0.010 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)/C=C/C(=O)NCc3ccco3)CC2)CC1 1835804595 FMIUWUMHZHEKSN-MDAAKZFYSA-N 497.596 0.882 30 20 JCED CC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320884 VTFFVXJXMVIPHY-BEFAXECRSA-N 456.421 0.813 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)C1)c1ccccc1 1837207710 DWIMFZNOJVKZLV-STWLZBDKSA-N 487.553 0.705 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1)c1ccc(O)cc1 1837277472 KTDXBGXPLNDIIB-KBMIEXCESA-N 496.568 0.679 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837296509 DRSHOJWZIBZRBL-PPIYXURKSA-N 482.493 0.890 30 20 JCED CC(C)n1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1C(=O)O 1837440966 JKVVRGQHALDZDO-HPTBBYBNSA-N 490.561 0.704 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1837444038 PIRDQYZBSQRNNA-HBAGGBEISA-N 454.531 0.876 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531082 BZVMLCINQNWUKA-MHPMKTAKSA-N 475.546 0.867 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1837559794 ICGGJTITFWEKNK-XOKVZSEQSA-N 469.494 0.995 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1838285264 JLHGOJSNTHBRKC-OAQYLSRUSA-N 450.624 0.806 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1)c1ccccc1 1838326473 AVINBIQQEWRNCS-IBVKSMDESA-N 491.548 0.843 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1839186033 WLVOYSGRRYXTST-WVMBUTMQSA-N 496.605 0.827 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1839186038 WQWKQKHQJCDDCX-ZHRRBRCNSA-N 479.534 0.999 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)c1 1839420676 WXVMJTKELTVOKL-REWPJTCUSA-N 453.474 0.862 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1)c1ccccc1 1839870414 LQJDAFHZVKVBHT-WATLYSKOSA-N 453.539 0.776 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nc(C(F)(F)F)[nH]c34)C2)C1 1840042811 OZTLMXZKVCSPSC-FQEVSTJZSA-N 480.399 0.740 30 20 JCED CC(C)(C)OC(=O)N1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840045123 RSDUPXBIZMPKGD-QHCPKHFHSA-N 479.530 0.178 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CCO2)C1 1840372086 PTUKLGTXEQICPX-YLJYHZDGSA-N 469.489 0.125 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1840819597 UXSMXFZGWTXKOO-HSZRJFAPSA-N 477.481 0.145 30 20 JCED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)cc1 1841100960 GQOKAMJKXGGENF-RBUKOAKNSA-N 481.578 0.484 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cncnc2[C@H]2CN(Cc3ccccc3)CCO2)C1 1844403004 FYHXZNWPYBKOLB-OAQYLSRUSA-N 489.532 0.955 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2)C(C)(C)S 1846302030 VOFJJIMFUKWZCR-QGZVFWFLSA-N 480.587 0.717 30 20 JCED N#Cc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)c1 14868546 WFAHCMCWJLQCIW-HNNXBMFYSA-N 455.539 0.824 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1 16123290 JFLGVXKVDYYPBE-CQSZACIVSA-N 493.563 0.933 30 20 JCED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 498187120 YXDYYUWJPXONTC-IAGOWNOFSA-N 466.608 0.844 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C1CCN(C)CC1 516371969 GDDIRNHYUOZAFK-MRXNPFEDSA-N 498.605 0.617 30 20 JCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 518074528 NTNLXQHPQYHLTE-UHFFFAOYSA-N 450.455 0.143 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)c1 520484602 VXXGAHSYVLWJNK-UHFFFAOYSA-N 491.552 0.303 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cccc([N+](=O)[O-])c3)c2=O)cn1 523574637 XBUFUMTUZGMIIW-UHFFFAOYSA-N 468.495 0.289 30 20 JCED CCc1ccccc1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccncc2)c1=O 609407844 FNKIKQRGBHSNOB-UHFFFAOYSA-N 489.601 0.808 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 728535046 WHAKIZFUIGFTON-JOCHJYFZSA-N 492.598 0.044 30 20 JCED Cn1nnc2cc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 729735658 YVDKOKFRYIHSRE-UHFFFAOYSA-N 468.495 0.530 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 751398220 BEAACMHLHXMGJQ-QGZVFWFLSA-N 471.539 0.994 30 20 JCED COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 821798395 GWBJHNVQRTYGIF-CQSZACIVSA-N 459.480 0.871 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)ccc1F 914595401 KGEBOOIPXHJNJE-UHFFFAOYSA-N 465.507 0.983 30 20 JCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 916198922 XOQRXAYVZRWJJM-UHFFFAOYSA-N 461.540 0.610 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)C[C@@H](C)O1 1115913551 PNOMSVOLQVEFKO-ZIFCJYIRSA-N 475.571 0.409 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)CC1CC1 1288155154 QVYNYWVNSWKYDY-UHFFFAOYSA-N 486.602 0.834 30 20 JCED CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1501208372 YDQQMUHYHPGUFL-SFHVURJKSA-N 475.575 0.645 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCOCC1 1541804471 WROPQLLFINWCBV-CVEARBPZSA-N 456.569 0.281 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1547765228 NOOGMZFXQUQJAG-HXOBKFHXSA-N 453.547 0.615 30 20 JCED N#Cc1cccc(-c2nnc(N3CCN(C(=O)N4CCOCC4)CC3)n2CC(=O)NCC(F)F)c1 1620348872 ITMQFCPNAWEIEN-UHFFFAOYSA-N 488.499 0.772 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 1741067531 SXUFAGFTHQRWMN-NRFANRHFSA-N 494.600 0.985 30 20 JCED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC(=O)N1C 1743244802 KLUXRPYFQCMDFE-CRAIPNDOSA-N 457.560 0.908 30 20 JCED CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1748268170 QLRFUOIQFADDFS-INIZCTEOSA-N 474.591 0.218 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3[nH]ncc3c2)C1 1778935523 XSETWRNGSZUJFO-FJIKSPBJSA-N 452.515 0.944 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc3ncnn3c2)C1 1780546252 BMLPNILWNDRBJS-LRCOXEPWSA-N 466.542 0.644 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1780739591 QAGYQAMXIYPEMN-HOOSLVGPSA-N 497.589 0.895 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2 1780803206 ALOMIMLTONYPEL-DBXWQHBBSA-N 472.608 0.727 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)c(C#N)c1 1781173408 DHNYTXXBMWWIMA-QHCPKHFHSA-N 499.549 0.405 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)ccc1Br 1781901969 AWJFAFDDJDAHGS-FOIQADDNSA-N 490.314 0.362 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c(O)cc3C)C2)C1 1782098614 LWMXSNOUAAYWTG-QATSOJGNSA-N 458.471 0.911 30 20 JCED C=C(C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1)C(F)(F)F 1783206140 AWJHPXXNWIUSRA-SFHVURJKSA-N 458.462 0.840 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783455170 GEOMBNHZVJWFNF-JLTOFOAXSA-N 468.576 0.900 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(cnn4C)c3OCC)C[C@@H]21 1783531334 SAHUPFCESGVLNB-JUTDANKFSA-N 496.568 0.819 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1783885297 YENYEXZFIAYYJN-SAHWJRBASA-N 498.577 0.657 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CCO[C@@]4(CCN(C(=O)[C@@H](C)S)C4)C3)c2n1 1783894242 IUQQGRCGAGFOLM-ASSNKEHSSA-N 491.574 0.275 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C[C@@H]21 1784484389 VGCVJHJVOCBRQG-UMGGQSCQSA-N 452.511 0.635 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(I)ccc3F)C2)C1 1785244113 DQFGOITZSLIIEJ-GOSISDBHSA-N 486.237 0.962 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1785578277 WRAVBIAPPGFDPY-PNLZDCPESA-N 460.535 0.586 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786860142 WDJFPZWEJJQWQS-QAETUUGQSA-N 467.567 0.091 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC(N)=O)[C@H]2C1 1787412413 CFZAITPFFYXDHF-ATIWLJMLSA-N 479.578 0.330 30 20 JCED NC(=O)c1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788660470 REYQFNBYZARTDA-ICJJWYMZSA-N 458.515 0.908 30 20 JCED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1790571957 IBSPVOXERFNZRR-LNLFQRSKSA-N 459.572 0.401 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)c2n1 1790704266 WFRZDPGQBKRQCJ-KKUMJFAQSA-N 484.517 0.020 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793052320 NBJHDGXTIZUXEZ-DNGCBJQESA-N 483.565 0.764 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795416606 XUYIHPJUYLEVGZ-JMEXBRRFSA-N 462.547 0.763 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1)c1ccc(O)cc1 1795732310 QEDASFACVUMCBI-OVCNXMPXSA-N 490.520 0.524 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994391 GNIUNVYIBDPZEI-NFFDBFGFSA-N 482.463 0.883 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1)C(C)(C)S 1796315458 NLCSDVQECSBNJM-BQJWPVKWSA-N 468.620 0.706 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ncn(-c2ccccc2)n1 1796540882 YFTOWSBWAVJERH-GTZTZOHHSA-N 468.514 1.000 30 20 JCED Cn1c(=O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)nc2ccccc21 1796996837 WUJZMIOQPWMZLU-KYMBBGCHSA-N 483.525 0.666 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1799233396 VBKPOLMNZOLVIO-ZSXDVEMLSA-N 489.577 0.521 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO 1799343786 ZBLODGPUSHBWOT-PZPPHJHLSA-N 453.536 0.054 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800988971 DEBIPPZVXGTMGP-MNWMBMHPSA-N 499.630 0.941 30 20 JCED CN1CCN(CC(=O)N2CC[C@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2c2cccnc2)CC1 1810358162 PLJPQMDNAQATIM-HAMDMGTQSA-N 472.590 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)Cn2cncn2)[C@@H]1c1cccnc1 1810472761 LLJDJXGBLGMNKE-JOWGEMCWSA-N 451.531 0.874 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817063428 LRJLAFVUDKWURW-SGMGOOAPSA-N 452.581 0.811 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1820893037 PXUITSITSUZLCI-KRWDZBQOSA-N 481.575 0.642 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1823743864 IIHZNNRXSAVWNI-MJRGOJFPSA-N 467.530 0.509 30 20 JCED CN(CC(=O)N[C@H]1CCc2nc(NC(=O)COc3ccccc3C#N)sc2C1)C(=O)C(=O)O 1828033229 NYEYTPZIZRLHGB-ZDUSSCGKSA-N 471.495 0.549 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1828595638 UZSLAMCDTIUBGZ-SBUREZEXSA-N 455.515 0.864 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828960984 HDRAJNVEDNBBTH-XMMPIXPASA-N 472.542 0.907 30 20 JCED O=C(CN(CCO)CCO)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828979056 RFDRPAGDECXTMI-PNXCTOMCSA-N 468.595 0.422 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1829353057 OVJQPZLNVOZMRF-QFIPXVFZSA-N 453.503 0.701 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](OC)c3ccccc3)C2)C1 1829765278 RORDRGBWZDKAGS-AYTIABRCSA-N 457.527 0.689 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1829770321 JCFSOVICFHXCTE-UOUGDEPUSA-N 484.553 0.331 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)cc1 1829905841 NMWIKEAQIHCYTR-RUZDIDTESA-N 474.521 0.843 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1831137268 WQLSVZQCJQXUBF-OAQYLSRUSA-N 454.524 0.288 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC=C)NC(=O)OC(C)(C)C)C2)C1 1831386544 HQCXIMFQRWDWNG-JXQFQVJHSA-N 479.574 0.951 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1831396587 FUMIRXGJHUFUIZ-OPAMFIHVSA-N 464.540 0.572 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1831412053 BKYOVTSDLUDKRR-GCJKJVERSA-N 471.551 0.269 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1831435123 LTQGCXQGMNBEHE-OYHNWAKOSA-N 476.555 0.787 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1831609198 KRMDAJDHGOHGLO-LHSJRXKWSA-N 493.358 0.902 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3ccnn31)CCO2 1833027423 DCHWAZNNXNGWNB-MBSDFSHPSA-N 473.530 0.265 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833028884 WQYREYNVYKUKKX-WAIKUNEKSA-N 458.515 0.253 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)Cn3ccnc3)CC2)CC1 1833076637 FMRPCILZBBWVKD-HMECNJMJSA-N 456.591 0.949 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834563338 HYYCQLVJXPOWPT-HXOBKFHXSA-N 457.531 0.465 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1835098430 KMEOIIQPXBBYHW-XMMPIXPASA-N 461.478 0.557 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 1835644731 FGBSWPBXQXLXJQ-NRFANRHFSA-N 457.531 0.808 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1835668114 RRFUKISATJPGHU-HSZRJFAPSA-N 473.530 0.876 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1835668115 RRFUKISATJPGHU-QHCPKHFHSA-N 473.530 0.876 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1835677739 WAPUFDUQZFGPSN-SANMLTNESA-N 499.612 0.875 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1836213322 GDCIRLMWZZNWNV-JXQFQVJHSA-N 477.558 0.227 30 20 JCED COc1nccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1F 1836237641 OYAJGSBIRIVJBO-BTJNRMLXSA-N 480.493 0.828 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)C1=O 1837136203 FAOLCLOQGMNYIV-SANMLTNESA-N 473.485 0.943 30 20 JCED O=C1NCc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)ccc21 1837150582 SQOGCJMRZHMIQC-HWJGKWOHSA-N 486.525 0.529 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1837396119 CDBIZUOCWGTOAK-CPJSRVTESA-N 486.569 0.520 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493465 GQWOTFMAOASCDB-IPVFLDMMSA-N 488.581 0.897 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1837524659 DVMQXWFJRSFJQE-OBKNTDCBSA-N 450.467 0.820 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc(O)n4c2CCCC4)CCO3)c1 1837759144 RUYGVLCITRQJAH-JOCHJYFZSA-N 454.487 0.509 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)ccn1 1837977314 CJHRKVVZZWAXEB-VJIOCRDPSA-N 462.503 0.689 30 20 JCED Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1838097738 AHVYVORKSZOVSX-HSZRJFAPSA-N 461.482 0.917 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1Cl 1838595330 NKSLUNPFXGLPFD-NRFANRHFSA-N 462.890 0.734 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)c(C#N)c1 1839132443 GXWORJPYVXAWFN-QFIPXVFZSA-N 456.455 0.573 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1839203678 RTFYHDAAIZWPBM-PNLZDCPESA-N 489.635 0.673 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839222849 CNHZSGPWIGXDFR-KXBFYZLASA-N 452.468 0.049 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)c1 1839452022 CMMVQGPAEIYDNN-XMMPIXPASA-N 476.493 0.999 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c(C#N)c1 1839784182 SZERZHRSFMNYDP-NFBKMPQASA-N 491.566 0.143 30 20 JCED C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1840027239 LWVWJDJQBRSDED-DJJJIMSYSA-N 452.305 0.772 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccc(C(F)(F)F)cn34)C2)C1 1840042363 QJCYEIRPJIQCCB-FQEVSTJZSA-N 480.399 0.511 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1)c1ccc(O)cc1 1840219874 KJOPPOJIPZRUJQ-LVXARBLLSA-N 483.565 0.968 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)cc1 1840227620 WKMIUQFIVHKLIX-GBXCKJPGSA-N 454.527 0.473 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840425932 HWIPXMHWJHMNPB-POSBYCEFSA-N 476.530 0.834 30 20 JCED Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)c(=O)nc1O 1840806292 RTBYVAKJKWQISX-RUZDIDTESA-N 495.536 0.218 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1840820097 YOFVSQUDXIYWEY-FQEVSTJZSA-N 494.430 0.844 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)C1 1846216363 GREFNBQQTJTZID-ZMJQMOPZSA-N 462.547 0.419 30 20 JCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)C3)C1 1847101372 HSTZSJCRLFBREQ-DFFLPILJSA-N 466.604 0.881 30 20 JCED COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] 16775711 OJVLUOBCAAWRLY-UHFFFAOYSA-N 487.494 0.738 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(F)cc2)c1=O 608913024 OKDLUDRQBAVDRO-UHFFFAOYSA-N 478.571 0.160 30 20 JCED CCc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccncc3)c2=O)c1 609407890 IVRLUUQNVLNSQL-UHFFFAOYSA-N 489.601 0.808 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(F)c1 726584892 YKNGBLDKMAAJRX-UHFFFAOYSA-N 485.541 0.826 30 20 JCED Cc1nc(S(=O)(=O)NCCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cn1C 726769736 FGMYRUJPUTXICJ-QJOMJCCJSA-N 482.588 0.848 30 20 JCED CN(C)S(=O)(=O)c1ccc(OCCOC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 763711111 SHRCWADJDWIIBB-UHFFFAOYSA-N 467.525 0.709 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 831243391 JEGBUKVMRYGDTC-UONOGXRCSA-N 471.557 0.083 30 20 JCED CN(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314675386 LHRBBWVAWVNRRE-UHFFFAOYSA-N 481.586 0.749 30 20 JCED Cn1nc(-c2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1314930975 OIIKUVGXFSVJGG-UHFFFAOYSA-N 470.559 0.871 30 20 JCED Cn1nc(Br)c2c(=O)n(CC(=O)NS(=O)(=O)c3ccccc3C#N)cnc21 1338378133 PFNAAASQXOQYCL-UHFFFAOYSA-N 451.262 0.269 30 20 JCED COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)cc1 1518335517 LUMHNRFHGUHSPJ-GOSISDBHSA-N 464.548 0.922 30 20 JCED COc1ccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1518339065 OUQXURYTDWTWFX-YOEHRIQHSA-N 450.521 0.705 30 20 JCED COCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1519118049 SYNMUKSMYCGPAV-QGZVFWFLSA-N 469.612 0.319 30 20 JCED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1519524458 QEJFGBSCGXDJPF-UHFFFAOYSA-N 485.614 0.996 30 20 JCED N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CCCN2CCCO)cc1 1620352187 MVDZPOIWCFUVMC-RBUKOAKNSA-N 453.547 0.887 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1691004888 VOEYJFWPRMWWKK-MAUKXSAKSA-N 458.548 0.903 30 20 JCED CCCN1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1728124932 IUDFDLZPNLVWQD-QKLQHJQFSA-N 469.587 0.785 30 20 JCED CCCNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1728191773 XZDITVWKFRWERN-QGZVFWFLSA-N 451.535 0.739 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1729691353 XZMCNCISLDAVAX-SJLPKXTDSA-N 474.543 0.115 30 20 JCED N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1731187074 XCXYIPHWSXVMRH-QAPCUYQASA-N 482.360 0.986 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(F)c(F)c1 1761503287 ZEDOIPHHBNBOBA-JSGCOSHPSA-N 456.475 0.974 30 20 JCED Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1C 1761809296 TUXXCODJYHPSJS-SFHVURJKSA-N 453.503 0.735 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)NC(=O)c4cnccn4)C3)C2)c(C#N)c1 1779180154 KQHWYXUVHAINIR-SSOJOUAXSA-N 492.536 0.548 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779443026 YWVDBSLBLNRGIG-IPZJKAPMSA-N 477.514 0.707 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1Cl 1780098273 IXROTTCCWQHJHD-OPAMFIHVSA-N 496.915 0.779 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2nccnc2C(N)=O)C3)c(C#N)c1 1780687384 WWXJSCHZPYYZIN-KBMIEXCESA-N 492.536 0.826 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780933971 LBTDRBYCLMOXNA-OPAMFIHVSA-N 462.572 0.295 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783115979 BSFZODCUSCEEDV-DRSNIGMVSA-N 463.535 0.572 30 20 JCED CC(=O)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1783186640 PUYIRUSUHZWXIN-IBGZPJMESA-N 453.421 0.942 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)=NO2)C1 1783452564 NEVXAODLGNOYKF-HSZRJFAPSA-N 472.542 0.996 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1783613795 OUUHMXQGIVWZAF-DXDNHBLBSA-N 490.557 0.899 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1783772100 ZVVPVCMVOWEZQC-QVKFZJNVSA-N 454.524 0.642 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1)NC(=O)OC(C)(C)C 1784601999 VDIKNEHWCBGZMA-YVHKJVDXSA-N 477.566 0.924 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1786844535 NHZRDOVOOFKFMH-NXOAAHMSSA-N 451.568 0.758 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCC#N)C[C@@H]43)CC2)CC1 1788223620 FQLXBDOHKQGDRP-PMVMPFDFSA-N 473.618 0.993 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1788631595 PYAWAILYMXEMFM-WDSOQIARSA-N 467.526 0.727 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C 1793592633 NTVUTAIKTPZNEZ-WGBUWIMHSA-N 476.574 0.904 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)[C@@H](O)C1 1795409438 HLBPQGAVGHQOND-MDMSPXHWSA-N 462.547 0.498 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796404353 OFEPKBRCTVMRRD-XGUBFFRZSA-N 476.490 0.438 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796886969 YHJGGSRKOYFDSX-XUHUHABMSA-N 456.565 0.579 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1797729083 OIOJYFOVWTVEAN-CWPLJXCYSA-N 470.606 0.672 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C(F)(F)F 1800548137 HPTJQOZKAMSIOC-LXTVHRRPSA-N 465.469 0.970 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccc(Br)cn13)C2 1800777323 PWSCJYJDRHDFPB-KSPBDQMDSA-N 461.272 0.388 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801051074 BTRCSRNKAYNYCZ-NHWFWODHSA-N 481.590 0.521 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1ccnn1 1801395051 MYWPPZLFOAMPIG-JTJHWIPRSA-N 488.589 0.955 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2)NC(=O)OC(C)(C)C 1801931981 CWYHAMDRVIYWOL-YYAJDYIMSA-N 468.551 0.792 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1802128038 WDXCWEHFMVVZBX-AXVVYFOYSA-N 482.541 0.849 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CNC(=O)OC(C)(C)C 1802239738 HMYIRCAJMUBFRO-PNVVKLOMSA-N 478.590 0.985 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1808441844 ZQDRJFBSZAQUJV-LPHOPBHVSA-N 468.447 0.322 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1808449651 IVCUWAOPCPQMHJ-IRFCIJBXSA-N 460.531 0.748 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1808452943 WANHHPUXNXGEPC-APWZRJJASA-N 460.487 0.140 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1810327801 QQROUFHFMYUMRP-PGRDOPGGSA-N 489.536 0.831 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]1c1cccnc1 1813062718 KLGWDGMKRCMZLG-RKWMGVDCSA-N 458.515 0.562 30 20 JCED CS(=O)(=O)N1CCC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)CC1 1818816016 UMNQYDMQJQDBGF-HNNXBMFYSA-N 451.505 0.161 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC3)c(C#N)c1 1822805927 XSJNALQEOOYLGG-BBRMVZONSA-N 482.522 0.776 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)cc1 1829632608 ZMPIXHMQPFKKHW-XMMPIXPASA-N 450.495 0.894 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@@H](C(=O)OCC)C3)C2)C1 1829762737 PYCNUPQSGRKIDM-PXBKYCOCSA-N 491.585 0.671 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829900638 IIDFVYUZBDCGLU-QHCPKHFHSA-N 453.499 0.613 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)c1 1830459332 VEHMOIXVIKPTLT-QFIPXVFZSA-N 459.572 0.964 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1830526330 UEZVUZJEJRJGJK-YDIMBITNSA-N 481.590 0.911 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830761729 WJXMPXSQLSZOTB-DFIYOIEZSA-N 492.617 0.844 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(CNC(=O)OC(C)(C)C)CC3)C2)C1 1831388468 UFIPQQSWSRJHPE-HOYKHHGWSA-N 479.574 0.786 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)C1 1831396303 DJKWMWIGBSDZRR-IEGUWTFLSA-N 467.563 0.737 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831398425 AWROIDGUSPMBGM-MWTRTKDXSA-N 451.483 0.543 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1831402424 YMFNTYLGHNPXOJ-PGRDOPGGSA-N 450.532 0.414 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)C2)C1 1831402464 HWHZABZRMDVNEO-WERWAAGDSA-N 491.585 0.879 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)cn2[nH]cnc(=O)c12 1831491408 BJHILEYPCNXNIJ-UWJYYQICSA-N 463.560 0.355 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831965969 PPYNNOZGVHMUBL-PXYXSCDOSA-N 451.474 0.902 30 20 JCED COc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1832913143 YORIEAJEKFEACR-XMMPIXPASA-N 473.574 0.761 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833024660 WDNXXNUCVJVUJV-CKNGIIGNSA-N 476.530 0.040 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CC2)CC1 1833464883 ARTOQISVYQFALK-GHTZIAJQSA-N 494.633 0.872 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1833474934 DJTGBUAJFIGBAP-QGZVFWFLSA-N 472.590 0.793 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833618214 ZVWUJBBRGMZVTK-FDDCHVKYSA-N 453.499 0.376 30 20 JCED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cccc1=O 1833874766 XLJBHXCEZZTLCU-XMMPIXPASA-N 476.493 0.517 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1)c1cc2n(n1)CCNC2=O 1834327422 LLAIAUYNCZBQHC-UHFFFAOYSA-N 474.565 0.863 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)=NO2)C1 1834766982 IUIUAUSMXIXPEU-DHIUTWEWSA-N 491.545 0.512 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccn4c(O)nnc34)CC2)CC1 1835044275 XGVSTHGSCWFVAQ-INIZCTEOSA-N 454.531 0.658 30 20 JCED O=C(NCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1ccc[nH]1 1835096151 RUETUNVASHYYRH-VWLOTQADSA-N 464.522 0.643 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835169702 IRBFZTMGZVYZEE-HYBUGGRVSA-N 460.527 0.987 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)c3c(I)cnn3C)CC2)CC1 1835263212 BRQBFMQZBFZAQC-UHFFFAOYSA-N 469.327 0.843 30 20 JCED C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1835531105 OFBUWCFYVRQNPF-JLTOFOAXSA-N 465.348 0.986 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=N)N)CCO3)C2)cc(C(F)(F)F)c1 1835575467 NQRGFNMDHJBOTO-IBGZPJMESA-N 468.436 0.130 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835682630 NYNAKHLDLKAOGJ-QHCPKHFHSA-N 460.579 0.628 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836257822 NZHAFTRUJWBIOK-AOMKIAJQSA-N 478.571 0.677 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4[nH]ccc4n3)CCO2)C1 1836903629 JNDMNENDMRJTSG-QHCPKHFHSA-N 454.531 0.915 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1837308872 CQIWLANTCAKJLM-FDDCHVKYSA-N 460.531 0.938 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1837396846 NSVZDCFPCYGHLO-ZHRRBRCNSA-N 478.502 0.642 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1837428463 KIYGLOBZIYZRKB-QFIPXVFZSA-N 478.622 0.046 30 20 JCED CN1CCC(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1837486557 JLPFSBOWLKDTGK-VWLOTQADSA-N 461.603 0.873 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)s1 1837526862 GUCWALLCRWLKEY-PDRBGEHDSA-N 467.548 0.374 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1837531516 OSUGJGDIBVXAQI-NSJZWROTSA-N 478.590 0.990 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c(C#N)c1 1837948775 IBSMUTNICWPDNH-DEOSSOPVSA-N 495.492 0.368 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)cc1 1838331924 UWRXLJNZSJPAFQ-XMMPIXPASA-N 450.495 0.894 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(C)C(=O)CC4)C3)C2)c(C#N)c1 1839131711 UTVMDSRKOGCAQL-DEOSSOPVSA-N 483.525 0.174 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Nc4cnccn4)C3)C2)c(C#N)c1 1839132471 HQETUTNEDWIAKF-AVRWGWEMSA-N 494.552 0.856 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CSCSC3)C2)C1 1839175211 URDZZIFCWMXXPO-UWJYYQICSA-N 487.644 0.995 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1839176406 MZIWPNTVXQDYAZ-RDPSFJRHSA-N 460.527 0.556 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1 1839420624 UPRKDSMITGOFKF-OAQYLSRUSA-N 457.418 0.282 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c1 1839454197 ZUXKPKRVFHHXGI-QFIPXVFZSA-N 488.591 0.797 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839693012 FMIVSUXXMLGQDZ-OFVILXPXSA-N 472.586 0.413 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840037541 FQINHWIQQLVSHS-YZYNAAERSA-N 497.548 0.862 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1840076626 WYLZQLGEZNFHDA-FPOVZHCZSA-N 462.609 0.467 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)C(C)C)C2)C1 1840107993 AHDKZBYYISSHAD-IEGUWTFLSA-N 469.579 0.929 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1840157729 YPJYLKWBYLKDMO-LYHRCORUSA-N 461.584 0.810 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c(Cl)c1 1840204782 MILAERMKQUJFQT-IBGZPJMESA-N 488.850 0.960 30 20 JCED O=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CCN1 1840227722 ZNFYBUKUWBBISV-MBSDFSHPSA-N 459.930 0.674 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1840820505 SYRVXSXJQYYGMO-LZCXECNNSA-N 496.564 0.794 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(I)cnn3C)C2)C1 1840842053 KKTGMOKMMYIKRV-GOSISDBHSA-N 486.310 0.508 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840908983 KRLFXKHYMBBJCH-IVZQSRNASA-N 477.518 0.102 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842880918 FITCIYGSXHJXFN-HOTGVXAUSA-N 451.568 0.642 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)C1 1845884242 PNAZYKGCEVOCAK-HNNXBMFYSA-N 485.545 0.921 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NS(=O)(=O)CC 1847789231 NDMCMPLJKJQARH-CKOFKNITSA-N 484.619 0.985 30 20 JCED C=CCNC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 16792492 STXGKZBNEOAFSY-QGZVFWFLSA-N 451.545 0.842 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccccc3CN3CCOCC3)CC2)cc1 503301673 LUIJQDFHWSWZPI-UHFFFAOYSA-N 497.577 0.862 30 20 JCED COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 516440003 HIJREUXLUSZCOA-UHFFFAOYSA-N 473.467 0.947 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CC1 516440036 IOXGHUUFRMHZRG-UHFFFAOYSA-N 465.495 0.611 30 20 JCED CNCCCc1n[nH]c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)c1C#N 516555416 WOQAKYWVQXTIFT-UHFFFAOYSA-N 473.559 0.538 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CCN(C)CC1 518715437 NCBUEMVOHDLYRA-UHFFFAOYSA-N 471.539 0.350 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)c(F)c2)c1=O 519285872 BGAMZOXAYQXMRI-UHFFFAOYSA-N 476.961 0.840 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1Cc1ccccc1 603992138 DSKYEXLVLPTYGX-UHFFFAOYSA-N 463.515 0.952 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 642984718 GLNJNGPXHKZKLY-UHFFFAOYSA-N 486.598 0.895 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 726577923 YHABZHXWBUKIPW-UHFFFAOYSA-N 474.502 0.144 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 729286625 FJECDRUDASCDKE-VYDXJSESSA-N 499.611 0.717 30 20 JCED N#CCCN(C(=O)CCC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 731253086 FSYASXFHJOXOJY-HXUWFJFHSA-N 490.582 0.588 30 20 JCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cc1 784927794 XKUAINPOCHHFNP-NRFANRHFSA-N 471.495 0.622 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)cc1 811831310 FCGKSNPWQUNSIO-OAHLLOKOSA-N 450.513 0.945 30 20 JCED C[C@H](OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(N)=O)CC1 831544464 XKHKNJSLVAFELJ-HNNXBMFYSA-N 478.571 0.941 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F 914462963 JBUOIKMUQFHQGM-CQSZACIVSA-N 461.537 0.055 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c3c(c2)OCO3)c(=O)n1CCOC 917356980 WLHKRPKCAGOZSI-UHFFFAOYSA-N 492.351 0.853 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H](C)c1ccccc1 917794973 ORVVDTMZJYVNCI-JKSUJKDBSA-N 451.552 0.907 30 20 JCED CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)N1CCOCC1 918252999 MOKXXUZDTMDYQA-RPYJSOBJSA-N 479.603 0.911 30 20 JCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1297698545 WAEWGVSKRGFEIC-UHFFFAOYSA-N 468.543 0.838 30 20 JCED COCn1nc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 1474815469 USECNVVOOXWOBX-UHFFFAOYSA-N 453.546 0.671 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1512713769 IMSLHQWNFUUIGX-JLEJFLCFSA-N 495.650 0.585 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1554498315 QYXYDQIWCSUFJC-QGZVFWFLSA-N 473.559 0.625 30 20 JCED COc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555125211 ICENVCPVIZEBHV-YOEHRIQHSA-N 460.564 0.517 30 20 JCED COCCN(C)CCN1C[C@H](NC(=O)COc2cccc(Br)c2C#N)CC1=O 1570029033 NPBVPMNNYFVZLC-CQSZACIVSA-N 453.337 0.995 30 20 JCED CC(C)(C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)c1cc(F)cc(C#N)c1 1630587186 RGASOUCVJFIJAZ-QGZVFWFLSA-N 457.549 0.636 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 1723959156 YLNSCFOYGAYSAU-SXLOBPIMSA-N 489.602 0.691 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1729343561 PMTDGYLRICAVTE-LJQANCHMSA-N 470.559 0.810 30 20 JCED N#Cc1ccccc1N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)CC1 1750384831 QLWAIIKSYZRRJC-MRXNPFEDSA-N 493.540 0.760 30 20 JCED CCOC1CC(O)(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1766153454 UMRBCHDEWXDFFY-DKTYTTGXSA-N 490.586 0.854 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CCO3)CC1 1778357775 UIPMMNRTYBLDAL-AREMUKBSSA-N 497.596 0.953 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1779069695 FWCSHPSDEHVXKL-IHMXKHASSA-N 478.523 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1779685120 GOMNQGFRYGVBBH-KSEXMQBYSA-N 450.499 0.569 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN(CCO)CCO)C3)c1 1781104683 KFRIAAAMHRZJIP-NFBKMPQASA-N 462.522 0.111 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2nc4ncccn4n2)CCO3)c(C#N)c1 1781172827 XMVCEPSRSXJHTM-HSZRJFAPSA-N 461.482 0.691 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1781201699 HBZMQGVYKPDCSW-JOCHJYFZSA-N 461.519 0.871 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1781264827 DPAQBSIOUISVIA-NRFANRHFSA-N 465.528 0.438 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1783835927 PZAYMTVZPPTSIH-YWZLYKJASA-N 472.564 0.058 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1784021058 ADOLIQASAPUUKX-GEQKSPFYSA-N 452.515 0.967 30 20 JCED CC(C)(C)OC(=O)N1[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C[C@@H]2C[C@@H]21 1784105530 XRFCAVOPJVHNLG-QQCJEOGWSA-N 461.515 0.452 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1785515877 JUIJXQIJKHHRSP-UZUQRXQVSA-N 489.529 0.786 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C)cn3)[C@H]2C1 1786202194 LYPDQRRQIBZUJK-DWRORGKVSA-N 459.547 0.930 30 20 JCED N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1787398574 GIILZKWHGOEGSE-LEAZDLGRSA-N 460.600 0.691 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1788572350 BIDNXYYZFJSHDX-KFGODFMUSA-N 469.579 0.425 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1788575588 YZHJUWFUYOJYGZ-STEAMIEHSA-N 494.552 0.737 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)N3CCCC3)C[C@@H]21 1788653231 YJPPQOQQJUGDON-DWCGZKKGSA-N 464.563 0.898 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1789772921 IKNJZMXFUDUBKE-CABLIKTCSA-N 462.547 0.904 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)NCC)C[C@@H]21 1792257492 VERBSIWKUVBKAW-VMXHOPILSA-N 493.605 0.590 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)[C@H]2C1 1792308365 FFCHIKDXHPKHKZ-QAETUUGQSA-N 484.619 0.364 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)C2 1793348043 XWTHFSMYJUBKHC-DXXZMKCOSA-N 461.559 0.727 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCCC1 1793807376 ZILRSPKMBXGRQM-VQQMMKBISA-N 490.601 0.895 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C 1795465369 OUXHSHMHNXACTQ-YVSFHVDLSA-N 452.552 0.524 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1 1796301235 SZNGDCPJRRSFRN-YRPNKDGESA-N 472.542 0.956 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc4cccnn4n3)c2c1 1798422309 PHHMCSCUPYQQBL-YVWYUNDQSA-N 456.466 0.994 30 20 JCED C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800907676 GPRDDDQBEBGZGC-ARKGTOAJSA-N 458.625 0.773 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1808439770 CJHRDBSPHFBJKL-UTKZUKDTSA-N 480.525 0.851 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812391112 NZKDQYSIKVXCPA-RXVVDRJESA-N 470.526 0.329 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816673635 JXVNUWIHYIPVCI-LBPRGKRZSA-N 482.526 0.194 30 20 JCED O=C(C#Cc1ccccc1)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1828875962 KOIXVWJAPUXXOP-AREMUKBSSA-N 477.517 0.801 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@]2(C1)CN(C(=O)CN)CCN2C(=O)OCc1ccccc1 1828954021 JTVMGFSVEJNKBE-XXXZYALBSA-N 469.542 0.256 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cncn3)CCN2C(=O)OCc2ccccc2)C1 1829013240 OXYZBCDDDDLVFR-NLFFAJNJSA-N 494.552 0.769 30 20 JCED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829051034 WPPHNXZUSAFPSF-WWEVIYMKSA-N 457.575 0.937 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cccc(C)n1)CCO2 1829717982 KRYZUCSPLLVVIP-VTWFOPJWSA-N 454.527 0.718 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1829765165 JQOCDZUXUGSKDZ-XLQQFJOYSA-N 471.510 0.273 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1829765950 ATXCAKXUBFEWCQ-XQQSMPNESA-N 483.447 0.424 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cc3OC)C2)C1 1829773164 CFIYSVPFWTYDQC-KSEXMQBYSA-N 461.490 0.763 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(OC)cc1)CCO2 1830233910 JWQZACDESPYVPT-XXXZYALBSA-N 473.526 0.389 30 20 JCED O=C1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CN1 1830464607 OPKOCHRRATUKLQ-JPYJTQIMSA-N 459.930 0.674 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCOC2=O)CCO3)ccc1F 1831019942 IJWPHIHJVCPEGA-QFIPXVFZSA-N 460.462 0.148 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)c(C#N)c1 1831738895 QRQRWEUXVYOUSF-HSZRJFAPSA-N 467.482 0.375 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832249377 YNFOHYQEFGXCLX-KRWDZBQOSA-N 482.431 0.080 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN(C)C(C)=O)CCO3)C2)c(O)n1 1832285274 MBYQVGQVSWRGBM-DEOSSOPVSA-N 474.558 0.844 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c(O)n1 1833696276 YQQRTVSATSNFJI-MZNJEOGPSA-N 472.542 0.502 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835677384 GZFWWNUIUAJJRS-USLBPWFCSA-N 465.551 0.254 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)n[nH]4)CCO3)C2)c(C(F)(F)F)n1 1835854074 RIMQUCUFWGBLEU-IBGZPJMESA-N 480.403 0.785 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836258124 UPAQTPVHDVEBMG-QFIPXVFZSA-N 480.587 0.901 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CCO3)no1 1836320712 KOMPJABIOKDHFR-FQEVSTJZSA-N 494.430 0.976 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1836859289 WPAHPHSPQXYBBO-IIBYNOLFSA-N 466.531 0.518 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2ON=C(c4ccccc4)O2)CCO3)c1 1837297255 QWUBTSUNQXIXDG-DHIUTWEWSA-N 465.466 0.691 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533035 JKQAOWVSHOBDFF-VTGGFKIQSA-N 476.530 0.834 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C(=O)Nc5cccnc5)CCO4)C3)c2c1 1837632761 XGNKFHDAZKMYNK-DEOSSOPVSA-N 489.492 0.538 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)CC1 1838643506 AKJXPYRGERTHIH-UHFFFAOYSA-N 490.557 0.765 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccc(F)cc1)CCO2 1839037730 VJJQCOCBQQSVAP-GXZWQRSESA-N 453.536 0.719 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)c4ccco4)C3)C2)c(C#N)c1 1839131247 TZWYHCQGSNONTF-UPVQGACJSA-N 469.494 0.892 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)ccc1F 1839188067 JSHDDINYTSZSJG-SBUREZEXSA-N 458.490 0.222 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839203529 NQNODJJRCDCCHR-NTKDMRAZSA-N 499.605 0.701 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839222848 CNHZSGPWIGXDFR-HNAYVOBHSA-N 452.468 0.049 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839389674 DHQPDWPCXHLKMU-MZLJXYOKSA-N 484.509 0.925 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840036803 VKTVYPSSYRJBGK-CVDARJQLSA-N 494.548 0.211 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)ccc1F)CCO2 1840684707 YMSWLSFZYKYHIV-FUMRIQNTSA-N 461.490 0.763 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1840906119 OZWJBJQNLPXHMH-DEOSSOPVSA-N 465.510 0.695 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(C)=O)C2)C1 1840907411 UNSMIVRFOPYQCG-MBSDFSHPSA-N 465.547 0.729 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C)C2)C1 1840909568 WHSBAYMPFGUWOT-JPYJTQIMSA-N 466.579 0.311 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ncon2)C1 1844593995 BIZIVOZBSVODFS-AWEZNQCLSA-N 478.506 0.692 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CCn1cnc3ccc(Br)cc3c1=O)C2 1846194796 QBBADFWRPWJSBW-UHFFFAOYSA-N 487.310 0.841 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N(CCC#N)CCC#N 10373485 QRBVSVNXXDBHOE-UHFFFAOYSA-N 464.500 0.529 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1=O 10855330 BVVKCFXQEUQMPL-UHFFFAOYSA-N 459.528 0.052 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2c(Cl)cccc2Cl)c1=O 489201714 YMHCFRLMEIUBIE-UHFFFAOYSA-N 467.378 0.705 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 500318399 ASLSRSSDJIJKEM-UHFFFAOYSA-N 466.498 0.972 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(CCN(C)C)CC2)cc1 515273844 BYVKIPSXJOXIBH-UHFFFAOYSA-N 451.593 0.574 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2C)c1=O 523088312 YBWLVBYWYTXVMB-UHFFFAOYSA-N 454.596 0.922 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3csc([N+](=O)[O-])c3)c2=O)cn1 523182954 JZPHBUYFOBDCCF-UHFFFAOYSA-N 456.509 0.867 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCNS(C)(=O)=O 524282676 DYSHOPOUXCRJOZ-UHFFFAOYSA-N 499.618 0.282 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OCCOC)c2)c1=O 603985924 FYLWDPCOSXXBEM-UHFFFAOYSA-N 455.536 0.483 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccccc1 604118571 MVMLBGRJRZPKGL-UHFFFAOYSA-N 483.571 0.568 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)cc1F 604270137 IIXQNFSYPIXFAK-UHFFFAOYSA-N 472.542 0.708 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)cc1 608912004 ZDIJLFKBBHPAMU-UHFFFAOYSA-N 491.481 0.296 30 20 JCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 726174580 CCWQAWANHBKXOW-INIZCTEOSA-N 478.571 0.765 30 20 JCED N#CC(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726576941 FRECSXFIRPBFAG-UHFFFAOYSA-N 458.471 0.910 30 20 JCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCS(C)(=O)=O)c1=O 729673563 VNYUMVRUKIIWGV-UHFFFAOYSA-N 465.622 0.886 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)c1 774903370 MPSQXIUWIGAYPC-NRFANRHFSA-N 456.480 0.719 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)sc(=Cc2cnn(C)c2)c1=O 837520175 JDIPIBXORZVLLU-UHFFFAOYSA-N 462.579 0.905 30 20 JCED Cn1cc(/C=C2/CC(C(C)(C)C)C/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 844152273 CHTADWWLEMWVCN-DJJIWSAGSA-N 454.527 0.974 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3cccc(F)c3)CC2)o1 915383928 WXRNJKKDVMTEME-UHFFFAOYSA-N 465.463 0.164 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNc2ncccc2C#N)c1 918268555 FDTULMPGWIGPOM-OVVQPSECSA-N 469.527 0.933 30 20 JCED C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CC1 1288904506 JDMZSQIZPARTIW-OAQYLSRUSA-N 460.560 0.971 30 20 JCED N#Cc1ccc(C[C@@H](C#N)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 1525396584 VMALIKYNHSXYSC-FQEVSTJZSA-N 452.540 0.904 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN1CCOCC1)[C@H]1CCSC1 1569863825 YWMBXXRWPHDAEL-AEFFLSMTSA-N 452.602 0.891 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1698319855 QLOITYITPIJOPH-RTBURBONSA-N 476.559 0.662 30 20 JCED N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCN2CCC(O)CC2)cc1 1698488932 LKIWDUSHLPXOIE-SFHVURJKSA-N 453.547 0.887 30 20 JCED CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1729205422 JYXKKGWKOHIZLM-IBGZPJMESA-N 471.587 0.858 30 20 JCED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1729738290 UAJYRPRMXHCQLM-UHFFFAOYSA-N 490.565 0.401 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1761481714 TVULTQISBSWVFV-GDBMZVCRSA-N 458.610 0.986 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1767009546 SUWVAHAWJAFPMV-UHFFFAOYSA-N 495.462 0.702 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c(C(F)(F)F)n1 1778848572 IHLTUWHSBBXIAN-LJQANCHMSA-N 478.435 0.749 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1779136375 KWCYLNLAINDPHK-HPARJBSBSA-N 474.539 0.782 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779362350 DPMXBBLVEABAQT-HJUGLVGISA-N 462.620 0.999 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1780158973 RZNVRDJEBBHIKS-KQHYHWCPSA-N 489.525 0.808 30 20 JCED Cn1ncc2c(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc(Br)cc21 1780221415 MFKPWLYVDRDKON-HXUWFJFHSA-N 475.299 0.867 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1781400796 XBSMVNXIANSIOR-ZHSNQQFMSA-N 482.578 0.988 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(C)C(=O)C(=O)O)C2)c(C#N)c1 1781543570 WBUIDSJQKNHGNW-NTKDMRAZSA-N 486.525 0.166 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1783397493 AJJWTYWCLYBFKL-MHTGZXFVSA-N 454.524 0.870 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783931809 LKAVTHYMJSCEAO-UZFJHSOTSA-N 483.562 0.902 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1784439533 YILQCMYSKACILY-FIRPJDEBSA-N 476.599 0.798 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784489702 HBELAXJXHVZQJO-DUPRYPCISA-N 474.558 0.955 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1785571512 DPMMWZKOGVPGRN-KKSFZXQISA-N 471.576 0.168 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785667506 ZMCMLOYWNQQLFK-UUOWRZLLSA-N 494.589 0.487 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786559977 DDRYFPPQJLQOGX-TUFLPTIASA-N 471.554 0.903 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789935415 IDSBRUPMGDZIDB-LFDJNIOPSA-N 467.563 0.280 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1789959576 QPJPVYZYTGYKPO-FPSMNIFISA-N 497.593 0.536 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]31)C2 1790686287 PYKUUMATBLQZND-DFEOGRTESA-N 457.531 0.906 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21)c1ccc(O)cc1 1791336270 SUSORWOFLRQRBL-ZFMNYDKASA-N 452.515 0.556 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4nccn4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791378823 AYSRAFGPUFPYRE-VJANTYMQSA-N 474.562 0.823 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncn1-c1ccncc1 1794464913 NEXBHEOOQSPENT-UPHUGPLXSA-N 453.499 0.980 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O 1795776995 QMIPQPDGJOGLCD-BMQTXXJKSA-N 472.542 0.355 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)n(-c2cccc(=O)n2CC)n1 1795936002 FDJMDIJVQCXMEM-FEJSZKPUSA-N 451.527 0.979 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797103198 ZUPHCPDYUJPDQM-ZXFNITATSA-N 466.498 0.365 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC 1797590815 MZQIHPFGUARKBM-AVHPLFLHSA-N 496.561 0.110 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1797789440 FPRJFOXHGVPELP-TWWGPRNNSA-N 475.473 0.324 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1800825323 LVZFHNKKUNSXQK-DURIQHOJSA-N 461.559 0.750 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC)NC(=O)OC(C)(C)C 1801206401 XUKDWBAKAIGICJ-RCJHGTSTSA-N 468.551 0.792 30 20 JCED O=C(CNC(=O)C(F)(F)F)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(F)(F)C(F)(F)C(=O)O)C2 1802375403 JQOQKIYNPQMTCV-RNLVFQAGSA-N 451.295 0.658 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803246620 MNOZWYDSXOCWIM-PLMTUMEDSA-N 484.509 0.754 30 20 JCED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807943752 IACVJHNDSRWPOT-JXFKEZNVSA-N 466.502 0.510 30 20 JCED Cn1c(=O)n(CC(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)c2ccccc21 1809537729 YSQHVPJUSHZYJC-SBUREZEXSA-N 461.478 0.529 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cc(C)c(O)nc2=O)n[nH]1 1823364541 GBHYJMFRILMILS-PTZVLDCSSA-N 469.502 0.531 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825661052 GFXVTFCEWRLUDG-OCCSQVGLSA-N 478.527 0.779 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3nc[nH]n3)C2)C1 1828579323 FIZHSGIISPMKFJ-KOSHJBKYSA-N 480.525 0.909 30 20 JCED CCN(C)[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829335134 WRAXQBKPXAQFJK-CLOONOSVSA-N 484.553 0.867 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1829764800 VYUAAOQINGIGMR-QATSOJGNSA-N 462.478 0.158 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064562 NQJLMTWMHCVWSR-WAIKUNEKSA-N 478.546 0.919 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1830216546 FTKWTWHPHPFMST-OFNKIYASSA-N 454.483 0.699 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1830462673 GDPTVNNHKVQDDV-XMMPIXPASA-N 481.509 0.522 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cnc3OC)C2)C1 1831386340 QWTGMTWXJUAFCL-YCRPNKLZSA-N 451.907 0.852 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1831386895 KOSRPMPUNSIZOC-PNCHPQGNSA-N 465.547 0.491 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1831433871 NTXATAMPOKOSQZ-OUVPSQHASA-N 487.597 0.669 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)ncn4)CCO3)C2)c(C(F)(F)F)n1 1831733779 UEEJJFIJDJLJDK-HXUWFJFHSA-N 492.414 0.851 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1 1831998810 TZDKLVNDNDICMG-UZUQRXQVSA-N 477.562 0.960 30 20 JCED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1832291187 XBKFXRBLZWJPTH-IOUFHMPJSA-N 463.556 0.812 30 20 JCED Cc1noc(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1832558118 XGGYELBRWKEPFH-XMMPIXPASA-N 459.543 0.989 30 20 JCED Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)Cc4ccc(C#N)cc4)CC3)CC2)c(=O)nc1O 1833108390 PXXHZJDELAWEKH-UHFFFAOYSA-N 492.580 0.943 30 20 JCED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n[nH]1 1833824680 OXZGDFLWBPXKEX-XZCAYTCKSA-N 463.491 0.211 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cncc(S(C)(=O)=O)c3)CC2)CC1 1833940964 KVZMNEHLLKYOMP-QGZVFWFLSA-N 476.599 0.709 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)cc1C#N 1835312318 QPTJACXWHBPSIK-NTKDMRAZSA-N 470.526 0.694 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835647607 ZRRKICHKCFTTTR-KSFYIVLOSA-N 499.634 0.929 30 20 JCED CC[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)N(CC)CC 1835674695 FCAOEQGYOJPLGH-AUSIDOKSSA-N 451.612 0.845 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1835675101 VDPCMBWXGWRCRA-HSZRJFAPSA-N 454.531 0.915 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1835677838 OQGISSXGJFIYHS-OAQYLSRUSA-N 460.560 0.976 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)(C)NCCC#N)CCO2)C1 1835680918 PAYMFRCENHJZBW-HSZRJFAPSA-N 481.594 0.638 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)n1cccc1C=O 1835955545 KRVINVQEVDQQDY-JOGNYUGASA-N 476.530 0.847 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CS(C)(=O)=O)nc4)CCO3)C2)C1 1836378727 XNWGQNIAXUVNAH-QFIPXVFZSA-N 463.556 0.662 30 20 JCED Cc1noc(-c2ccccc2)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836526285 BKYWGQLBWSITDT-HSZRJFAPSA-N 453.451 0.808 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)CCO2 1836588907 PZOSOLXDOVTHNR-IIBYNOLFSA-N 471.501 0.968 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3[nH]nc(Br)c3c1)CCO2 1837153870 KCGVGFFNVGPXNV-HXUWFJFHSA-N 491.298 0.483 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837314608 FHSDPQHXVULTJB-FQEVSTJZSA-N 454.401 0.600 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1837403872 UQIGOCMIRYXVHY-XXBNENTESA-N 466.575 0.949 30 20 JCED Nc1c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)sc2nccnc12 1837442115 PHFYGVAVRVSSST-ORMFSKTFSA-N 487.586 0.815 30 20 JCED Cc1cc(C)n(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837524772 MJHHQXGIXICOCS-UELCCTMMSA-N 463.535 0.485 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1OC 1837531486 NQGGGTMYVRUEKI-VUVXVLRYSA-N 492.529 0.698 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908092 GTGDGMOLZSNZMB-WZONZLPQSA-N 474.514 0.471 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)Oc1ccc(C)cn1)CCO2 1839051947 LSQJGGKQYLHDMK-NAFJXCGOSA-N 486.569 0.862 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1839222616 TVPGYVQXZCLDTA-HTAPYJJXSA-N 481.571 0.961 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccccc2-n2nccn2)CCO3)c1 1839380367 FZUOZCVLSDDOEK-HSZRJFAPSA-N 461.482 0.851 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839436259 LBBYCDMQEXBMBI-XMMPIXPASA-N 481.557 0.619 30 20 JCED CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2 1839443428 GPVQJSITOFLNQL-FQEVSTJZSA-N 468.432 0.783 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476602 YTGRLRKPAZJCBL-OPAMFIHVSA-N 482.530 0.338 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)c1 1839651034 HUVCFGMDMWCUAB-DEOSSOPVSA-N 481.509 0.765 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C1)C2 1839739026 NXCXSWIOOMVCTH-MZNJEOGPSA-N 485.541 0.382 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840036850 MFNARXSKVBKHIJ-YZYNAAERSA-N 495.580 0.635 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(C(F)(F)F)cc3Cl)C2)C1 1840042301 MRMLPPPTUWGXQS-GOSISDBHSA-N 475.807 0.912 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044915 GYYHHSZENJNCML-KOSHJBKYSA-N 493.557 0.568 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840457574 HFEQMHOZVMJJNE-DEOSSOPVSA-N 456.543 0.564 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1840819740 BZIUAAFXAVOMPR-QHCPKHFHSA-N 481.465 0.195 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COCCOC)C1 1842776113 XPNJTEVPJCULOI-QGZVFWFLSA-N 498.577 0.658 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)CS(=O)(=O)N4CCCC4)C3)c2c1 1843414670 PWPBVDAVVDYNTR-UHFFFAOYSA-N 456.528 0.677 30 20 JCED O=C1CN(c2cccc(C(=O)N3CC4(CCCN4C(=O)C#CC4(O)CCCCC4)C3)n2)CCCN1 1844282112 BVJHAFQEIYEFMR-UHFFFAOYSA-N 479.581 0.924 30 20 JCED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1846012788 MMJQIRJXTUSZPB-UONOGXRCSA-N 456.515 0.581 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@](C)(O)CN2C(=O)OC(C)(C)C)C1 1846229802 XVDLITIHQRNJBN-XDPABRFXSA-N 476.574 0.809 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](CC)NC)C2 1846365937 FGRKIVZKWMLTGU-SJORKVTESA-N 481.594 0.993 30 20 JCED N#CCN(CC#N)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 503666212 KBIKOPJNURCTRG-UHFFFAOYSA-N 476.515 0.708 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)cs1 514357967 AWBYRPRTHQZMGO-UHFFFAOYSA-N 473.624 0.557 30 20 JCED CN1C(=O)c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2C1=O 599952099 LJAMQBWVELDLKB-UHFFFAOYSA-N 474.520 0.479 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(F)c2)c1=O 603795760 QMMXXURZPFXGHK-UHFFFAOYSA-N 488.585 0.427 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)ccc1OC(F)F 608911674 IDEJINGWCLYUAD-UHFFFAOYSA-N 492.504 0.567 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O 608912527 UONOBTXRQSZRGM-UHFFFAOYSA-N 469.386 0.494 30 20 JCED Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)s1 726576697 ABXLLGPSGRSYEJ-UHFFFAOYSA-N 481.559 0.125 30 20 JCED CCOc1ccccc1C(=O)NCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 914684066 UUFLVDUCBTUBIV-UHFFFAOYSA-N 455.471 0.875 30 20 JCED CCS(=O)(=O)N(C)CCCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 918574617 YAJFPBUEKVQERP-MRXNPFEDSA-N 458.606 0.928 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cccc3c(O)nnc(O)c23)c1 920924966 BTOLWAGTEFQYAZ-UHFFFAOYSA-N 455.452 0.321 30 20 JCED C[C@@H]1CN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1291291215 LOLAODKDTVCECS-SQNIBIBYSA-N 452.581 0.410 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCSCC2)CCCC1 1360714449 PYOKGJWXHWZUSG-DLBZAZTESA-N 483.664 0.979 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1706656704 XIRIZZSJRLALQO-QGZVFWFLSA-N 466.589 0.768 30 20 JCED CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1710988113 OLFQMQHGXRRGCX-QGZVFWFLSA-N 461.548 0.207 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1=O 1723780260 QFFGTSIPRLBBMY-SJORKVTESA-N 467.596 0.752 30 20 JCED CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)c1=O 1746361267 YHEGXNNIAVCLEN-LJQANCHMSA-N 489.602 0.971 30 20 JCED CCN1CCN([C@@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1765507080 VEMXFBFMZZBSEZ-ICSRJNTNSA-N 494.666 0.377 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC 1768532056 SPLHOUPNYWTOTA-NVXWUHKLSA-N 476.559 0.973 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778275976 MGFIXEAYPHOMGL-QFZWGZQFSA-N 455.555 0.756 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COC(=O)C(F)(F)F)C1 1779275583 USOFDPALXXLUBF-LFSDFAJISA-N 461.437 0.464 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1781061957 CCIOOZAESGNXKE-YJPXFSGGSA-N 455.577 0.913 30 20 JCED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)C2)C1 1781387191 RMSPGFABLKILGA-WCAVRKLYSA-N 464.563 0.764 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)[C@@H]2C1 1782015283 FJZCDHVPYAEVCC-AGYLXNLDSA-N 475.542 0.701 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)C1 1782037004 MEJDTNBKQLYEML-GACJPCPCSA-N 493.601 0.909 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)N(C(=O)OC(C)(C)C)C1 1784087924 CXDSBZWLYSMZEF-SAHWJRBASA-N 462.547 0.518 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CCNC(=S)NC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784092962 GOTQYJCRCDAHSN-SBUREZEXSA-N 495.646 0.866 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784388944 KPECZJTZUNTXRN-XSLAGTTESA-N 462.547 0.148 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784485598 QATNPFNONPVNMX-LFDJNIOPSA-N 467.563 0.280 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)cc1C#N 1785196093 NCKBVCLBFYPSBE-HSZRJFAPSA-N 454.531 0.629 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785331410 XJSICEJZMAUWIQ-BSZJXLGXSA-N 475.546 0.773 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)c4ncn5nc(N6CCOCC6)ccc45)CCO3)C2)CCC1 1785364712 CVDKKCSHTBLQMW-DEOSSOPVSA-N 479.541 0.703 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785518338 UHEBTFQMEQBNOL-JTSKRJEESA-N 451.520 0.686 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C(=O)C1 1785667253 PHLCZURLZSIQFU-DEOSSOPVSA-N 474.558 0.309 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1 1786897722 PXRAJGPXGHMDCY-VMXHOPILSA-N 496.605 0.888 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)n4)[C@H]3C2)cc1 1787437185 ZIRUWHVBBIXURV-LNLFQRSKSA-N 451.483 0.986 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787939881 CVSGSNRCOCOUIS-LNLFQRSKSA-N 461.482 0.668 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(=O)nc6cccnn56)[C@H]4C3)c2c1 1789198093 GERLSEGRGQKUQA-KNBMTAEXSA-N 498.503 0.745 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)[C@H]2C1 1789694347 HGRRUDNRWFLNIQ-XTUWLFETSA-N 486.544 0.782 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COCCO)[C@H]3C2)CC1 1789917904 MBGIQGPDSICMNM-FHWLQOOXSA-N 494.589 0.516 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3Cc4nccnc4CN3C(=O)OC(C)(C)C)[C@H]2C1 1791532245 FWDSTEQBTLVEBM-FEHORTKBSA-N 469.542 0.751 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)c(F)c1)C2 1792491183 AHXCMZVCGCLZLN-IBRLJDPESA-N 479.530 0.291 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795277884 SUNNVABRDBXWFH-XAPVIXHLSA-N 471.554 0.903 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc4nc(Br)nn4c2)C3)CC1 1795410530 YWBXOXWVIOEVNS-AGGWBTHJSA-N 459.304 0.999 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795421046 MPERZXQQYODKJB-KYHPRHEASA-N 486.591 0.208 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783593 ZRFQDAKDURLXAM-JTJHWIPRSA-N 493.601 0.814 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC=O 1799287601 MPWXKFVZHYMOKX-URZNZNTCSA-N 472.542 0.582 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]1[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C#CC(=O)O)C2 1800778911 WAKAJLMXJKTINJ-PAXJFUQBSA-N 475.542 0.700 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)c4ccccc4C2=O)C3)CCC1 1801977612 PYPWPCQMMZCZKR-CWPLJXCYSA-N 450.495 0.956 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)OCC(F)(F)C1 1801988982 WRDFRLWCFIGEQS-FZKCQIBNSA-N 485.484 0.984 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)cn1)C2 1802126620 LELGPJYSCLKSSX-DMUMMCEESA-N 459.547 0.698 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807945484 ZMQJLQSVJQDINY-SIIHOXLZSA-N 452.475 0.118 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810359423 YFAUFTKXDDPPEU-LWCDEFHASA-N 469.498 0.541 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330795 YPHNHWNXISRMQK-KMKNYMLNSA-N 486.514 0.629 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](O)N4CCOCC4)sc3C2)c1 1819889253 GGBNJUXTLGJHCQ-YCRPNKLZSA-N 471.539 0.900 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](COC)NC(C)=O)sc2C1 1820193158 ZJYAMWONZWEIAC-HIFRSBDPSA-N 452.533 0.716 30 20 JCED NC(=O)[C@@H](N)CCC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828572101 JJLSETFLHFHYJZ-HFZDXXHNSA-N 495.580 0.445 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)=O)CCN2C(=O)OCc1ccccc1 1828790948 XQKSUOKJHSFFIC-HAAQQRBASA-N 482.537 0.886 30 20 JCED C[C@@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828924870 HMDABZNQQVGGLA-WZONZLPQSA-N 455.515 0.877 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN)C2)C1 1829226482 BPTLLBJNOPRERS-DEOSSOPVSA-N 472.542 0.907 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cc3cnccn3)C2)C1 1829330435 GYDVRFWREFEFDX-RUZDIDTESA-N 491.504 0.559 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cc3C)C2)C1 1829769546 ZJLACNZVKHUTHL-IBLIISRWSA-N 457.527 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccc(C)cc3)C2)C1 1829773317 GMEUJMWJCHYTAL-XXXZYALBSA-N 455.511 0.493 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1829848268 DPVABEXQBHCGRC-IMWIBFENSA-N 496.605 0.827 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1830573872 CZTVELLUEDJDMI-JLHGSKIFSA-N 486.566 0.129 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC[C@H](C(=O)OC)C3)CCO2)C1 1830716242 YUSQOLAWQUFGHK-YDSTWLSQSA-N 452.548 0.605 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832109580 PTJVUGGXIBILCP-VGSWGCGISA-N 477.587 0.671 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832425010 YMNXIGJOMRJEEG-XMSQKQJNSA-N 452.552 0.646 30 20 JCED CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1832788819 GZGWAURMBUJEOW-IRCLMUFRSA-N 479.534 0.721 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1833482037 ZQUMIMYRPFVUPR-OSJSJHBBSA-N 468.620 0.097 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c1 1833763191 QKMNKKCUINJHHH-IBGZPJMESA-N 452.515 0.342 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccnc3CS(C)(=O)=O)CC2)CC1 1833991737 PWYKNFLWFPFYFP-GOSISDBHSA-N 490.626 0.850 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834768716 LMZLGJZOUSGFJP-AHUWJOPLSA-N 492.573 0.628 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cc2NC1=O 1835345679 UHLRQTSOJNZOOC-CMJOXMDJSA-N 454.483 0.780 30 20 JCED CN(C)c1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835673222 YSZGXXVGROJOSV-QHCPKHFHSA-N 458.563 0.499 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1835677620 SGOSJASRXQXYLU-HSZRJFAPSA-N 454.531 0.915 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1835680162 GIUJNSOXDNHZIN-GOSISDBHSA-N 457.369 0.652 30 20 JCED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)N4CCOCC4)CC3)CC2)c1 1835759748 QSPIBMBRERRJRY-AREMUKBSSA-N 483.613 0.713 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)N4CCOCC4)CC3)CC2)c1 1835766367 GIYAEEVSCQOARE-VWLOTQADSA-N 485.585 0.403 30 20 JCED Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1835989119 KGZRWQHKOFXXDQ-DEOSSOPVSA-N 458.559 0.508 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)ncc1[N+](=O)[O-] 1836552709 XKWVKNIXTXALJR-OAQYLSRUSA-N 454.443 0.882 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836985512 CLIFBXCPKWEHNF-JKJLQIMHSA-N 454.531 0.876 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3c(F)cccc13)CCO2 1837051905 OCVLVOYADMFJMP-FUMRIQNTSA-N 471.489 0.630 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837077433 WEZCFHLYTCPGFR-HSZRJFAPSA-N 454.531 0.686 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837488560 JXKXKLAJZOOMQB-QFIPXVFZSA-N 462.934 0.899 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490382 AXKNDMMLXLAIBE-XMMPIXPASA-N 470.526 0.175 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1837661311 FANGFWJFBOQGNG-QFIPXVFZSA-N 471.620 0.166 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837908226 LOSGTJLRGIISIK-YIPJSWNASA-N 450.467 0.820 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838067367 KNHUVDMVUKTTPG-YSDSBRIZSA-N 467.567 0.961 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1Br)CCO2 1838075666 AHYBYIPPOUMSTD-SFHVURJKSA-N 452.261 0.002 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838578082 DMGUNWSNGAMYHR-NZQKXSOJSA-N 458.515 0.552 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1838582543 SEEPSAZKVXJRHD-QHCPKHFHSA-N 481.465 0.439 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1838648835 LUCJMJGGEVITKO-FQEVSTJZSA-N 481.590 0.911 30 20 JCED COc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838732538 VFISGIXYLNTUPJ-QHCPKHFHSA-N 453.499 0.993 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)nn1 1838830153 KYDJKZPRARUQOK-QFIPXVFZSA-N 460.535 0.227 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906939 OBONJJZJUSJLFR-HSZRJFAPSA-N 453.499 0.785 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCN(C)C2)CCO3)c1 1839066125 WOYJBNFTVMEGIV-NTKDMRAZSA-N 456.543 0.979 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1839073251 VGZCKKDNWOUPSN-VGOFRKELSA-N 453.536 0.394 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839106624 RMQTWFWVUXZULI-RXVVDRJESA-N 454.637 0.177 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630066 YPMDCIWJCGQCLY-JOCHJYFZSA-N 457.487 0.537 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864706 KTHBLIXCLUABJF-SBUREZEXSA-N 482.578 0.568 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)[C@H]2C1 1840018730 RMZFUCGPZRJHJA-NWFVXXGESA-N 478.546 0.238 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Br)cc4[nH]ncc34)C2)C1 1840042500 XWFUHSFZHGODAP-HXUWFJFHSA-N 491.298 0.483 30 20 JCED CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044413 WUMLYSFOBBFKKS-GAJHUEQPSA-N 481.546 0.328 30 20 JCED COC(=O)c1ccc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2c1 1840044428 HOELFJFBEOMRSW-RUZDIDTESA-N 480.473 0.784 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1840346614 GERTUYLLJOJXQM-LPEYTCNWSA-N 477.562 0.875 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568611 FCEBODAEAVIAIO-JPYJTQIMSA-N 466.579 0.474 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1)NC(=O)OC(C)(C)C 1840795359 DMNMKRFUMLAGPN-SBUREZEXSA-N 492.577 0.745 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840842709 XGGCQQRXHFLBHC-BTZRARBUSA-N 493.601 0.864 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1840912756 PLQPDSJVCOQBRT-UZFJHSOTSA-N 475.546 0.949 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)Cn2cnnn2)C3)CC1 1845137431 UIOZRRDMZGYVHM-UHFFFAOYSA-N 458.523 0.417 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845808837 KKYFIOGETWDOBV-CQSZACIVSA-N 452.508 0.202 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1847069990 BZGXNGWYWGCYST-HNNXBMFYSA-N 470.530 0.360 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NC2(C#N)CCCCC2)c1 10775827 KFHFJGYMYUUKPK-UHFFFAOYSA-N 452.533 0.765 30 20 JCED CC(C)NC(=O)C(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 501295523 RVCVQHTUUXGOAU-UHFFFAOYSA-N 475.571 0.154 30 20 JCED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 515945359 ONRGBFUSCAYXFN-UHFFFAOYSA-N 472.527 0.499 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(N)=O 517154536 XOGKNXSUDDWFHW-UHFFFAOYSA-N 454.552 0.384 30 20 JCED CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2C1=O 517187899 FHIKXADEKYVHJQ-UHFFFAOYSA-N 481.490 0.256 30 20 JCED C=CCN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 596213547 VISOMVPVZFRHTG-WIYYLYMNSA-N 473.603 0.543 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccn3)c2=O)cc1F 609405139 LQTLTRRCDVESMA-UHFFFAOYSA-N 493.564 0.693 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)C1=O 613854090 QZPDNOMRHANVJY-UHFFFAOYSA-N 499.343 0.259 30 20 JCED Cn1cc(/C=C2/CN(Cc3ccccc3)C/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 844153531 WPBMMLCCAHEJKB-OMYAATJGSA-N 489.532 0.033 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC[C@H]1COc2ccccc2O1 913174149 XLKYEDUOBGHMFR-ZBFHGGJFSA-N 459.480 0.724 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1C 917352905 CLHIFDNVEHXHHC-UHFFFAOYSA-N 469.304 0.317 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C(N)=O)CC2)c1 918289015 IWBFBEDZBXWVHZ-HKOYGPOVSA-N 463.560 0.942 30 20 JCED CNC(=O)[C@@H](NC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 918818966 ZJDHTDCLHFHHBI-IBGZPJMESA-N 458.496 0.262 30 20 JCED CCN(CC(=O)NCc1cccs1)C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1189391877 OOMHGRLDPLBLFB-UHFFFAOYSA-N 457.556 0.779 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1314630597 ZEECMHKOMHUQNY-RTBURBONSA-N 477.635 0.863 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1510217029 FXGQWKFNWORIKO-HKUYNNGSSA-N 492.650 0.858 30 20 JCED CC(=O)N1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1596290163 WWPQAIXFVXRQPV-HXUWFJFHSA-N 450.547 0.901 30 20 JCED CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1649540931 NVELXQVSEHFYQV-KRWDZBQOSA-N 450.609 0.983 30 20 JCED CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1729668812 WOPQNNDFRXBRNW-SFHVURJKSA-N 487.586 0.727 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(N(C)C)CCCC1 1751229427 OOCLGXRUFHGBFB-SJLPKXTDSA-N 464.640 0.939 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 1767713145 PFJSQKYXGYBRCT-NHCUHLMSSA-N 494.600 0.711 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1778784517 NZLRXMFOBDYTLE-YWMZBHJASA-N 451.501 0.381 30 20 JCED Nc1n[nH]c(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC3(O)CCCCC3)C2)n1 1779397720 SXYFLLIXGXJBRU-VGOFRKELSA-N 458.563 0.532 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1781165530 LWNSANAORYJQOC-HOOSLVGPSA-N 476.574 0.792 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)CCOC1 1781307985 GVWJGVSXRHYRFE-DNQXCXABSA-N 493.605 0.782 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(Br)c3[N+](=O)[O-])C2)C1 1781927246 GFGASEUBNCZBOL-SFHVURJKSA-N 466.244 0.889 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CN(C(=O)OCc3ccccc3)C1)C2 1782015723 WGVAWZRJVIFDAR-CJFMBICVSA-N 483.521 0.857 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c(C#N)c1 1782667281 ZHHYAKSCVHEMFD-QHCPKHFHSA-N 451.483 0.196 30 20 JCED CC(C)(C)OC(=O)N1[C@@H]2C[C@H](F)[C@H](C2)[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783493981 SQVATUTZKBLAML-BCMNEKMPSA-N 479.505 0.640 30 20 JCED CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783554819 FWFDNUWLSVOEJB-CYFREDJKSA-N 471.510 0.999 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1783769201 OADMXJVJRVJHLA-WZOHSFFVSA-N 493.649 0.922 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4C[C@H](O)CN4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784092941 FWAWFTSMEPMFFB-ORQYLMBXSA-N 464.563 0.105 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(I)cc3F)C2)C1 1785247793 XDBYSOMNNPVZHT-GOSISDBHSA-N 486.237 0.962 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1785576917 QVULOXOHJJWPLO-WAIKUNEKSA-N 489.529 0.308 30 20 JCED CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Br)c(C#N)c3)C[C@@H]21 1786649018 BVSKCXUVPJHGNW-QRTARXTBSA-N 484.372 0.959 30 20 JCED Cc1cc(NC(=O)CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)no1 1787488734 IXMDXCBSYZJUBV-ULQDDVLXSA-N 460.535 0.573 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788661377 OMOMAIQNMQWHKK-WFUIJNOLSA-N 455.508 0.111 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnncc4C(=O)O)[C@H]3C2)c1 1788889138 KAYBCYKRVIZWNE-GKCIPKSASA-N 465.466 0.962 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1 1789808255 GMJWHABQJVOSAD-FSGKZVOOSA-N 461.559 0.607 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 1790320694 DBEYGLLOYFVCLS-GLFPHZSYSA-N 482.497 0.923 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)[C@H]2C1 1790684317 NOUHNSPIXUSPKT-GQTJHPHFSA-N 495.502 0.981 30 20 JCED Cc1cccc(C)c1N1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC1=O 1791072613 MEAAJDRLMDKIPS-MUGJNUQGSA-N 467.522 0.724 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792148511 NRPUYFKJXLBUHB-LNLFQRSKSA-N 459.572 0.401 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)[C@H]2C1 1792222874 ABJJWIZYSRNNIF-OVWQWFNUSA-N 453.536 0.999 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)C1 1792634732 NXHPQYKKLJFNQF-CPBBTPEFSA-N 450.536 0.498 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C#CC1CC1)C2 1793262090 VQQILZDCGKMPTA-DCXXXQMHSA-N 454.527 0.625 30 20 JCED Cn1nc(C(F)(F)F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793729706 UYZYKHUZDIGKEB-AKZRSSKFSA-N 490.332 0.997 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)c(O)n1 1796421710 COGVJEIROMWAIH-LQZABQIISA-N 487.582 0.911 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cc1F 1797818028 HFDGZEGYRNYBAZ-IXLLBFHCSA-N 497.545 0.961 30 20 JCED COc1nccc(I)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1798712725 AKDOFGRFDXOWHH-QHBPRCKVSA-N 470.267 0.812 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1799395992 MFZFVJTVVCPLGT-GZXWBTJBSA-N 482.578 0.749 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1799874330 GDUSSPJCXWGMGT-PKPDMIBBSA-N 468.470 0.533 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800395394 AVFLERSADFOCPJ-RZFLPCETSA-N 483.587 0.070 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O 1800534478 CIWWUDLENGLAAT-UVBQOVKKSA-N 478.590 0.797 30 20 JCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1800545589 DRVOJEAGORHXAC-XOIINTDNSA-N 496.536 0.642 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C(C)C)n1)C2 1802127763 ROHDPIXQGUECOB-XMTFNYHQSA-N 474.562 0.979 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)[C@H]1c1cccnc1 1804112338 QSIYEPFFCRJHHF-PMAPCBKXSA-N 452.511 0.967 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)NC[C@H]2CCN(C(=O)C(C)(C)C#N)[C@H]2c2cccnc2)n(C)c1=O 1804384971 BUYHXLQGJOMHID-AEFFLSMTSA-N 492.540 0.084 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807147444 KJQHEAVHKHGQQW-HKUYNNGSSA-N 459.620 0.853 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810147457 NQMWFPUJRUSOGC-RJQFULPZSA-N 452.519 0.279 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814929850 ZYVXTVXCLXDBDW-ZFWWWQNUSA-N 489.602 0.812 30 20 JCED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n[nH]2)C1 1815797021 BKKRZVDFYXJXPA-INIZCTEOSA-N 480.529 0.815 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1817318544 OIZKIEXCVKLWKW-AWEZNQCLSA-N 453.507 0.886 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CNC(=N)N)CCN3C(=O)OCc3ccccc3)C2)CCC1 1828972307 BERYAFHYAMFTOH-DEOSSOPVSA-N 481.557 0.615 30 20 JCED CC[C@H](C)[C@@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828976149 MPVFUFNWCCKWOT-QRJOEMBSSA-N 484.553 0.900 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1830416563 VRECLYGWMLCLQS-RHSMWYFYSA-N 458.523 0.847 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1)CCO2 1830606243 BLJHHBVJBZJVIN-CVDCTZTESA-N 458.490 0.800 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4C(=O)Cc5ccccc5C4=O)CCO3)C2)CC1 1830836196 ODRXURLWDNRQEY-VWLOTQADSA-N 480.521 0.362 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2 1831083884 VSOPPWWNXRXLDG-NFBKMPQASA-N 453.580 0.976 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1831387742 KAMMDRSKZGEOGJ-BCHFMIIMSA-N 497.548 0.096 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1831427832 VZKYDWOTRHNJDY-HJPURHCSSA-N 458.515 0.716 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831464981 WWYIOSDYONLJMG-QRQCRPRQSA-N 489.554 0.185 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1831493056 PXYLSKAUCUIMAZ-HOIFWPIMSA-N 489.635 0.673 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1832454351 JBLWRLLTSHVHDI-OAQYLSRUSA-N 450.561 0.510 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832878004 SCHZNJPSSQTLFM-HSZRJFAPSA-N 476.530 0.100 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)CO2)C1 1834767247 OMVPVURWNZCDDC-SBUREZEXSA-N 478.546 0.382 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnn4ncccc34)CC2)CC1 1835037374 MHVXKONXLTYPJH-WAYWQWQTSA-N 465.558 0.773 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349464 DZSZILFJCBKSCO-UZUQRXQVSA-N 460.531 0.663 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1835675021 IQDZLSMAZKBWIU-JOCHJYFZSA-N 461.588 0.912 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1835705603 LYGPCGPJEUBAFO-RHPOUKCLSA-N 454.527 0.511 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835754365 IXYMJCAYXDOSNX-NRFANRHFSA-N 473.530 0.566 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836110646 AAPGQAGNCFVDMR-OBKNTDCBSA-N 479.559 0.554 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c(C(F)(F)F)n1 1836321793 JPNVFSADTNBKGM-SFHVURJKSA-N 465.392 0.474 30 20 JCED CC(C)Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n(C)n1 1836335342 ZISMIIWKSVGQIS-DEOSSOPVSA-N 474.606 0.970 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)CCO2 1836727969 WKECQMVXBJCZFQ-SANMLTNESA-N 488.629 0.579 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524737 LKJODCVXOBBGQV-CSQDXPTQSA-N 463.491 0.084 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1837869348 LCTXVALWTAYBJA-UHFFFAOYSA-N 475.512 0.945 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837924325 WLPWCJHFSFSGMB-JOCHJYFZSA-N 462.934 0.899 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)CC1 1838300384 LCGFWNZDWCMLKH-LGUFXXKBSA-N 490.649 0.621 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(OC4CCOCC4)n3)CCO2)C1 1838353144 DSBGFRXGQBDCKO-CLOONOSVSA-N 487.553 0.748 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1 1838740884 YXUYMIYYRPTCBC-QFIPXVFZSA-N 490.513 0.813 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)Nc3ccc(F)cc3)CCO2)C1 1839028782 VREBPPDQPOAOBW-GAJHUEQPSA-N 461.490 0.649 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3c(C)cccc3C)CCO2)C1 1839155997 UIJDKDUQBJFJDL-CYFREDJKSA-N 457.527 0.737 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1839173945 WUBARRLEWFMQJG-HYBUGGRVSA-N 458.511 0.956 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1839175288 ZQQUDUDQGPCGGR-JOCHJYFZSA-N 480.587 0.917 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)ccc1F 1839187398 ZSBOFMTZLJHSFI-QFIPXVFZSA-N 471.445 0.211 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(NC(C)=O)c(O)c3)CCO2)C1 1839473389 WAANXZMTLXYZPX-RDPSFJRHSA-N 475.542 0.994 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(O)n[nH]5)C4)C3)c2c1 1839487504 ACTPDWLUNXRNLT-NRFANRHFSA-N 451.443 0.247 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1839670071 ONKNPLAROAXOTQ-HSZRJFAPSA-N 483.481 0.211 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)n1ccnn1 1839705649 NQHDFUNLUPHLJR-WZONZLPQSA-N 452.515 0.800 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4nccnc4CN3C(=O)OC(C)(C)C)C2)C1 1839811078 FGLDDENEVXCYLT-YADARESESA-N 485.541 0.228 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)CC)CCO2)C1 1839828242 KVKIXBPXLHYDJA-AOMKIAJQSA-N 453.536 0.891 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044675 QWMOBZNVXMHRLZ-YRUKQIKQSA-N 491.541 0.178 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840415658 KWUDPGVUPBGGAZ-IEGUWTFLSA-N 492.577 0.765 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840820121 ZYEHOBMQYADMDI-MNUQWNKMSA-N 486.525 0.922 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840907401 UIZRAWKXXGTDCA-HJPURHCSSA-N 489.529 0.169 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CC)C2)C1 1840907478 WPGNNLOXGJWUBR-KOSHJBKYSA-N 489.573 0.890 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840908987 KRLFXKHYMBBJCH-OYHNWAKOSA-N 477.518 0.102 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845810108 FLFYHHUOCGYTDQ-HNNXBMFYSA-N 466.535 0.592 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C[C@@H]2OCC[C@@H]21 1846196928 DFQOPKQCVBJCNL-IKGGRYGDSA-N 461.515 0.692 30 20 JCED C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2=O 18038936 JCLSKYRPOCFZNT-OPAMFIHVSA-N 473.555 0.892 30 20 JCED C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)CC1 492354949 SMGMGMNBCDJRHE-CQSZACIVSA-N 462.494 0.819 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C1CC1 518245306 OCGOLCBKCHBPDY-UHFFFAOYSA-N 475.574 0.744 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 603442266 PTKYERFQRNULQR-GFCCVEGCSA-N 485.950 0.378 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CC(=O)N(C)C 604472871 QXOGXVOHQVEPSA-UHFFFAOYSA-N 456.568 0.271 30 20 JCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(C(N)=O)cc2)c1=O 608828717 JFLITVKCRJISCX-UHFFFAOYSA-N 480.571 0.730 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(N)=O 608911915 IIJFXOBWGWKCCY-UHFFFAOYSA-N 469.350 0.358 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCS(C)(=O)=O 729674999 PYMQACNWXZSJBW-UHFFFAOYSA-N 478.552 0.282 30 20 JCED CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 743433760 JPVYTJMTJWJTKX-UAFKWENTSA-N 463.560 0.813 30 20 JCED CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 913243050 PJKWLJIDBKFMET-HXUWFJFHSA-N 486.554 0.543 30 20 JCED CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 914606849 UENSXGYOGCHWMN-UHFFFAOYSA-N 483.616 0.379 30 20 JCED Cn1c(=O)c2sccc2n2c(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nnc12 918818092 XDJVTVSVSJLFNO-UHFFFAOYSA-N 458.481 0.536 30 20 JCED N#Cc1cn(CCC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c(=O)nc1O 1142609494 JTVZJGQTKUAKFH-SFHVURJKSA-N 451.531 0.666 30 20 JCED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 1189684453 SEDFFNGYHDYTMN-UHFFFAOYSA-N 459.366 0.732 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCS(C)(=O)=O)c1 1298097846 WGZUDJSTUXQUNN-UHFFFAOYSA-N 466.589 0.980 30 20 JCED COc1cc(C)cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1517948794 MBSFJJWDPIXWIK-MOPGFXCFSA-N 476.559 0.705 30 20 JCED CC(C)N(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1607938517 IXBTUGODADAHEA-IRXDYDNUSA-N 452.567 0.946 30 20 JCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1696336155 DKRASPYICXUVLM-KRWDZBQOSA-N 469.637 0.370 30 20 JCED COCCN1C[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1=O 1712467689 KDXJSQGZNRGKNA-IBGZPJMESA-N 495.588 0.504 30 20 JCED CS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712701426 LERRNERWRPNQIX-UHFFFAOYSA-N 452.544 0.902 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CCCO 1741132985 NWPHUNPEYTUKJL-KURKYZTESA-N 469.612 0.054 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C)N(C)C1CC1 1751230413 QFMKEKGLBQBEFF-VKJFTORMSA-N 450.613 0.548 30 20 JCED CCN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)S(C)(=O)=O 1765217943 UAFOYNVUOXDOFA-AEFFLSMTSA-N 499.663 0.028 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779019787 FARGNDZXFOSCIR-VWPLMULRSA-N 493.605 0.660 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c(Cl)c1 1779876766 LVVSKOPJTSLZMU-NRFANRHFSA-N 454.874 0.858 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337722 PFLNSPLHQHGJNC-JOCHJYFZSA-N 461.519 0.871 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1781264004 OJDOMQXZSMZFRX-OAQYLSRUSA-N 461.544 0.981 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1782010280 HXAZLHPYFDLSNO-XMSQKQJNSA-N 462.524 0.452 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1783899943 INMBWHHNRSBHIJ-LRAJWGHMSA-N 487.623 0.476 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)C[C@@H]21 1784486775 OPCLIWFIXJSHQS-FWNUTNIYSA-N 473.545 0.891 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)c3cccn3C)C2)C1 1784615401 AGMXKMGCSYQPNJ-MZNJEOGPSA-N 472.542 0.954 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCS(=O)(=O)CC4)[C@H]3C2)c1 1785037580 ZSUGHBPWSHAZFV-JBACZVJFSA-N 474.583 0.190 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1785225348 LAGGNAHNBLQYMJ-QFIPXVFZSA-N 480.562 0.955 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788701031 HOYGPDNBBFHKRN-JPLJXNOCSA-N 459.547 0.557 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789708659 AXKVFHQILKOGQF-OWIUFQIYSA-N 466.629 0.826 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ncn3)C[C@@H]21 1792255765 UXSCHIALJMWVOZ-OVWQWFNUSA-N 473.530 0.692 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C1 1792812057 HIFNMYWDRNIQDV-BBIADKPPSA-N 451.523 0.770 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)c3ccccc3OC)C1)C2 1793353933 IMHBEYGOLDDVPQ-NSAZKJPHSA-N 471.554 0.948 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N[C@@H]1C[C@@H]3CC[C@H](C1)N3C(=O)CC#N)CCS2(=O)=O 1795462891 ADQDXTAWGYQOHW-YYIAUSFCSA-N 480.587 0.962 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cncn2)ccc1Br 1795853043 AVCGTFOUIMRKHW-JLVBRIDZSA-N 459.304 0.816 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2)[C@H]1SC(=N)NC1=O 1796421863 IJCFTOSJWKKVMG-XRPQVBHESA-N 469.567 0.883 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3ncccn3n2)c(O)n1 1796954110 MXWCCIHULBCRRG-JLVBRIDZSA-N 463.498 0.861 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1797714518 WIBOCOKJZUQQND-MDMSPXHWSA-N 469.579 0.425 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1)NC(=O)OC(C)(C)C 1797810783 ZMGUHLIVWWXBES-RDXHDDKDSA-N 496.605 0.086 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797816620 PAEPDQVEXUEOMO-PNHQIZOTSA-N 473.530 0.319 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)C=C 1797945968 CLWAVGOFXXMVKE-XLIFZOOWSA-N 490.601 0.964 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn(C)c(C)c1Br 1798713645 BBIQVUBVLQQTRE-IDZYNVOGSA-N 480.363 0.553 30 20 JCED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799238026 VDNXFJSEATUIMR-ALXJQNPVSA-N 493.561 0.473 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c(Cl)c1 1799749417 RYEPNSPHYXWSNF-IVWMJMPLSA-N 467.873 0.460 30 20 JCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCOCCOC)C2 1800546601 ZRIRZKUFZXGHHU-IZZQQSIFSA-N 464.506 0.484 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1800909343 YKFTVNAYSDLHNU-NRUGXNMXSA-N 483.562 0.624 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1802024264 CFIJHGDZDGECCA-ZMMAXQRCSA-N 485.603 0.317 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccc(C)cc1 1802116604 RABFYERZBFFDRK-YTRCMYEKSA-N 454.527 0.173 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1802124646 GPQQHIBLHPMYGK-OGJJZOIMSA-N 462.547 0.019 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnccn1)C2 1802126792 NOZTXEFQCCGHPN-CKXPZSRYSA-N 469.542 0.996 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1804092155 ZDRSAVORSJZAOI-AVRDEDQJSA-N 467.526 0.338 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)cc1 1804191441 BPEPQGDDPNCIBJ-DHLKQENFSA-N 495.605 0.932 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1807022245 OMHLYPFHQRZIMM-DENIHFKCSA-N 456.439 0.864 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1811526501 UDJZQDVWASYTBI-DBADBBAGSA-N 450.451 0.946 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)[C@@H]1c1cccnc1 1812875594 YODDZMSUANCJPK-ZQGRQUNCSA-N 465.466 0.182 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)c1 1823852296 BRDYSLLBDKXUJA-JTQLQIEISA-N 465.484 1.000 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828583618 NHYWKLZASSQZOJ-KBMIEXCESA-N 481.505 0.565 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)CC1 1828920959 FQNJEZXKIWSVOW-XMMPIXPASA-N 478.509 0.618 30 20 JCED C=C1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCN3C(=O)OCc2ccccc2)C1 1828968107 XZUIOXHGEVWYCM-HFZDXXHNSA-N 497.596 0.998 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccncn3)C2)C1 1829332196 CLGZVUTWMBSKHD-XMMPIXPASA-N 477.477 0.630 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3)C2)C1 1829765423 WHZLXJQVWLDGDY-HMLKYZKVSA-N 457.527 0.553 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C(F)F)n3)C2)C1 1829768702 FOSBPKJIIOANNM-NYPGBQQYSA-N 467.473 0.515 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1829769983 AMYRCRLGIQQPHJ-XLQQFJOYSA-N 468.510 0.110 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830353353 YZVSDROQLPHHPU-VFOTVIGXSA-N 489.569 0.213 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1831398887 MRHSCJGXNPVCFY-HJPURHCSSA-N 489.481 0.490 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1831404736 TUCRWWZTMWADGX-VGOFRKELSA-N 483.537 0.440 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246732 MIDKMUAZJTVUFS-QGZVFWFLSA-N 470.416 0.781 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833224608 DPQVOBFPZWTCTM-OPAMFIHVSA-N 478.550 0.355 30 20 JCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833273085 LZUNAYWLUQXKCD-RHSMWYFYSA-N 458.625 0.762 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)c1 1833488555 JNUMCFNAEPPARV-DEOSSOPVSA-N 479.493 0.749 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccnc2OC)CCO3)c(C#N)c1 1833509540 QAWPYZAZWGEHIV-DEOSSOPVSA-N 481.509 0.678 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833786313 ULSDRFKDTYTEJX-IBGZPJMESA-N 462.551 0.936 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)ccc1F 1833834235 RQSFFKHVAAJSFI-QFIPXVFZSA-N 455.446 0.506 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1cc(O)nc(O)n1 1835075279 FCXPGIXJBZNJMD-HZHRSRAPSA-N 459.551 0.545 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835304077 LRFJMFVZAQZPLN-YGKZAACZSA-N 480.562 0.191 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835358937 NPALIMAJAOGLCN-HRAATJIYSA-N 454.524 0.022 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1835680975 QKWYZUKZFMBXPG-QHCPKHFHSA-N 454.531 0.686 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1835681176 SKMMCPJMIUEFLA-JOCHJYFZSA-N 461.567 0.385 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1835778954 DPDMOQRIOIKLTI-YDZHTSKRSA-N 456.503 0.785 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CNC(C)=O)CC3)CC2)c(C#N)c1 1836530286 MKTJHCXRTXRGHL-UHFFFAOYSA-N 455.559 0.817 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1837302231 XSLTVOWKAQCHPT-GAJHUEQPSA-N 457.531 0.465 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1837444281 VQSQYUFARMXSOD-MHRHTVJOSA-N 460.560 0.938 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869477 UAHAPUYNGVRRIC-OAQYLSRUSA-N 494.589 0.762 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(N)s4)C3)C2)c1 1838581819 RIPMJVCDIBHIMC-OAQYLSRUSA-N 457.512 0.989 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839081898 WJWRVHCAIAIYMQ-FGSXEWAUSA-N 451.589 0.763 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)c(C#N)c1 1839132890 UWYROSHLDCCDHE-QHCPKHFHSA-N 453.499 0.532 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839136573 ZUAIIZOOEKUAKZ-AOMKIAJQSA-N 482.534 0.203 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1839185525 FFGNEKVEYZRURJ-NTKDMRAZSA-N 496.605 0.829 30 20 JCED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839423774 WBXBBNPIFCTIKX-NRFANRHFSA-N 451.907 0.945 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1839453704 ZDDPMEMRPYBPDK-XMMPIXPASA-N 495.492 0.707 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5csc(N)n5)C4)C3)c2c1 1839487545 AUHCJISWQFDMAJ-NRFANRHFSA-N 467.511 0.857 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CSCC(=O)O)C4)C3)c2c1 1839488764 FAEMYLRBIOVLBU-OAQYLSRUSA-N 473.511 0.322 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)n1ccnn1 1839707791 GHFCVJHQPMXHIN-ZAHAJLKSSA-N 459.528 0.796 30 20 JCED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839716732 YXOODHSGIUOGMF-QHCPKHFHSA-N 453.499 0.599 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839772741 HQRSFRARSKDULL-XMSQKQJNSA-N 452.548 0.967 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(-c4cccc(=O)n4CC)n3)C2)C1 1839808353 ZCQNCGYXUDXSAU-HSZRJFAPSA-N 453.499 0.066 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Br)ccc3F)C2)C1 1840039964 FVEMXRVLHWKPDR-LJQANCHMSA-N 469.263 0.746 30 20 JCED COc1ccc2[nH]cc(/C=C/C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2c1 1840043825 WFTIZDIOUPPQCQ-QBFZGYHOSA-N 467.478 0.734 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1840076628 WYLZQLGEZNFHDA-TZIWHRDSSA-N 462.609 0.467 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840077701 GYFVFASBBDVKMS-FQEVSTJZSA-N 464.506 0.724 30 20 JCED O=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CCN1 1840229892 RDZDMOJEZRAGIS-JZPRSCHJSA-N 461.540 0.470 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1)NC(=O)OC(C)(C)C 1840796004 NRDXLRKSRJMYAM-HXOBKFHXSA-N 492.577 0.745 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819900 MXMOTESPLGHHCX-HYBUGGRVSA-N 457.527 0.967 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1840842353 CJFOKVAACNMSJU-AXHZCLLHSA-N 479.574 0.474 30 20 JCED C[C@@H]1[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCN1C(=O)OC(C)(C)C 1840963230 VUBBVDHUSQKQLC-SAHWJRBASA-N 479.530 0.176 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CC)C1 1841281478 WHAJTOOHYLBWIS-HZPDHXFCSA-N 468.551 0.766 30 20 JCED COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842920582 CPIBTYQJHZCUKB-UHFFFAOYSA-N 468.595 0.558 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cnc(O)[nH]2)C1 1844505299 OOOXWWDCHWMHSK-AWEZNQCLSA-N 492.533 0.738 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1)C(C)(C)S 1845067168 PWQJTSMZVYEDOR-SOUVJXGZSA-N 456.609 0.514 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2)C(C)(C)S 1846301028 MGPLLUJLLJTLOT-OAHLLOKOSA-N 483.591 0.343 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1847805648 MPSZLULYPPRFQX-SQNIBIBYSA-N 462.547 0.306 30 20 JCED N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ccc1F 481088370 UOYCXWFUGBPITL-UHFFFAOYSA-N 474.470 0.940 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 495284426 WDFBNYSGRBNRDI-GASCZTMLSA-N 465.532 0.004 30 20 JCED CS(=O)(=O)N(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(C#N)c1 591652033 AFZJVLUOOQIVQY-UHFFFAOYSA-N 462.553 0.857 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(=O)N(C)C 604270182 RWUGLZHUHDWSBV-UHFFFAOYSA-N 494.976 0.836 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2OC)c(=O)n1CC(N)=O 608910809 OKVDTLNORCVKLG-UHFFFAOYSA-N 467.334 0.516 30 20 JCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)c1nc(N)nc(=Nc2ccccc2)[nH]1 613295457 CRSHGSVKCNOOCB-MRXNPFEDSA-N 482.526 0.469 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 623771478 WPRFIVIZRGZUPW-UHFFFAOYSA-N 459.594 0.192 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 800764547 QXMUIXSHKFBVNM-UHFFFAOYSA-N 456.480 0.911 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)c1 875244149 RUZGBKNONDIGJP-OAQYLSRUSA-N 453.411 0.014 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCn3cnc4ccccc4c3=O)CC2)o1 915374473 LSPFLKQCCRSOQK-UHFFFAOYSA-N 450.455 0.847 30 20 JCED CCNC(=O)COc1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 917183719 FWHDXUJZZADOHT-UHFFFAOYSA-N 460.512 0.565 30 20 JCED O=C(NC1CC1)C(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 917200631 HHAFUUXTLQCWRO-UHFFFAOYSA-N 475.571 0.235 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CCOCC1 1288154185 ZRNYOPVGMNCOFC-UHFFFAOYSA-N 454.535 0.551 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CCO1 1315018463 UURMFARAJHZONK-FPOVZHCZSA-N 483.573 0.527 30 20 JCED CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1609890616 JUBAZUXXNZVLRE-QGZVFWFLSA-N 452.519 0.857 30 20 JCED CCCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1=O 1766150966 UOUPTDLCYIGXII-UHFFFAOYSA-N 475.575 0.727 30 20 JCED CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1768458518 JAAVVYIVYFBYFT-IBGZPJMESA-N 471.587 0.462 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1)c1ccccc1 1779185457 RRSVKUTTZWLDDT-NTKDMRAZSA-N 452.511 0.565 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1779201516 RNUWSZPAUGCOLP-HCLVMJGWSA-N 484.513 0.627 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN(CCO)CCO)C3)c1Cl 1780101042 RTKBMLBTIZTSDF-AUSIDOKSSA-N 478.977 0.626 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3c(I)ccnc3OC)C2)C1 1780363507 GXIZFGSSIDMDIK-QGZVFWFLSA-N 455.252 0.772 30 20 JCED CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1780975431 MOWJYPHJQVKRFN-HXUWFJFHSA-N 467.931 0.828 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782010226 HWOAMGAAUYNUHV-SEPYTNNBSA-N 463.531 0.845 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782199220 KLDORESLFCQCCM-NRFANRHFSA-N 455.544 0.362 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782671512 ZMHSBQKYTCJVFQ-GAJHUEQPSA-N 458.515 0.539 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C[C@@H]21 1783530585 IJSMWNKDLQJNBC-WZKGKYDRSA-N 493.557 0.681 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)CCO2 1783905967 MPVHRCGTTRWGHF-OWHZGTRUSA-N 490.601 0.991 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1784186323 NIUSXPQQFNRZDM-SEPYTNNBSA-N 463.531 0.781 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1784474061 AZPVANLAXOVBEF-WMDQAZIPSA-N 493.601 0.622 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1785308671 MCNOFAJMVVTONW-QZMQVMSPSA-N 464.563 0.812 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786698628 ZXURCUFRRVOGQP-UFYCRDLUSA-N 467.563 0.356 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)ccc1Br 1786890317 CVYDFXNVOOAMBI-IKICRFKJSA-N 492.374 0.507 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC(N)=O)[C@H]2C1 1787405775 LKDJYVCJOWSNQS-AVEIZBFRSA-N 481.594 0.882 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C[C@@H]32)CC1 1788194824 LYVBXENWDAETQG-CUWPLCDZSA-N 465.558 0.275 30 20 JCED O=C1Nc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/O[C@H]5CCCCO5)C[C@@H]43)cccc2C1=O 1788436632 WOMUAONTMISRAM-NTOLXHEASA-N 484.509 0.944 30 20 JCED COC(=O)C12CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=N/O[C@H]5CCCCO5)[C@H]4C3)(C1)C2 1788660695 GQDTZUZEVPORLH-SFXXVYARSA-N 463.531 0.838 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)C=C)C[C@@H]21 1792257295 SRVYAWOHOMWQSJ-SPOLIRPYSA-N 476.574 0.573 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)OC)C[C@@H]21 1792258877 RZEVMVANONMEGU-NXOAAHMSSA-N 466.535 0.239 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1793823395 KCHWURPKUIVZIL-KYHPRHEASA-N 457.593 0.771 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1797815583 OYZCYSIDHALZQX-VWYGNSGTSA-N 462.547 0.506 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1798399487 XWOVWZOQFBCSSU-BQJWPVKWSA-N 466.579 0.966 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1 1798465825 LNXHPPWEYOXRRM-OKYOBFRVSA-N 453.543 0.932 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799195595 DMMMSWNHCBLCBO-OREBXVKISA-N 469.604 0.723 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778358 OQSNGBNCKLIUGU-LOUJCGABSA-N 471.457 0.309 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)OC)C2 1800980690 DBCABBWUTAYETK-DFBDCSAJSA-N 498.577 0.416 30 20 JCED CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1802145911 ZRXFUCYKKGZCEI-RCJHGTSTSA-N 451.520 0.603 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c(C#N)c1 1804093912 JQMGZEHNBWJJSY-UUOWRZLLSA-N 490.520 0.762 30 20 JCED C=C(C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1)C(F)(F)F 1804197575 HUDFTGUKIKNXBW-WMZOPIPTSA-N 474.505 0.936 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1807147387 IYGMGTZSACJWJF-XUVXKRRUSA-N 458.563 0.020 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808257285 SQVDNXJHNLVCLI-BBTUJRGHSA-N 486.525 0.811 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCCNC3=O)[C@@H]1c1cccnc1 1809680378 YMIXZMFSZREQAJ-BLIXFSHQSA-N 464.526 0.770 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1811500743 OQYQLHJIZDVNBJ-PHXBYCTMSA-N 460.531 0.969 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1811894416 WQVVLVRWRNQGHY-GMAHTHKFSA-N 451.527 0.559 30 20 JCED NC(=O)c1nccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819845938 NZUQXQASRSRYMH-CYBMUJFWSA-N 468.539 0.956 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC#N)CC2)n(C)c1=O 1825105702 YFSOLRAZPQQJQU-KRWDZBQOSA-N 469.546 0.357 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCN2C(=O)OCc1ccccc1 1828969370 AVYYKENMHIETFR-LVXARBLLSA-N 497.596 0.835 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cncnc3)C2)C1 1829332479 NOZSIYCZMNLCIZ-DEOSSOPVSA-N 477.477 0.630 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1829353134 SKUXKMPQOCWGML-YADARESESA-N 471.558 0.607 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1829691045 GFGBZCPNPJDVKG-IECBHUPTSA-N 479.574 0.474 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1829763772 ABFALJCQFLRWFD-PKZHZFTJSA-N 480.525 0.196 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1829773707 QYCDBKRXJIQCAZ-IBLIISRWSA-N 468.510 0.252 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)cc1 1829906401 ZDIIXHSRKRVROK-QHCPKHFHSA-N 467.482 0.132 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1831426790 JYGRRYDQIUQAOT-XDHUDOTRSA-N 472.542 0.538 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1831434093 QVAVFOQLJBPTHT-DRSNIGMVSA-N 455.552 0.947 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2)c1ccc(O)cc1 1831615721 JTPDXRCFCKKJMO-KHOMTPLRSA-N 471.554 0.857 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1 1832026824 LBJWDPPVYSLGBS-CJAUYULYSA-N 480.521 0.699 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc(C)n1)CCO2 1832609282 FEYJQTRMHDUFLA-SINIUOCSSA-N 456.543 0.637 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)c1 1832877905 MVZMSLNWKYYRLK-VWLOTQADSA-N 495.536 0.785 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833566905 BASSDNLQYGZJPW-OAQYLSRUSA-N 452.483 0.835 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833614507 DNHWECZWKVQEIP-IAWFGPOKSA-N 497.552 0.700 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834402575 SXGXMEYRRWWWTP-GOSISDBHSA-N 451.568 0.747 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)n5[nH]cnc5n4)CC3)CC2)c1 1834797380 SUTLJZYTEWMMMY-UHFFFAOYSA-N 474.525 0.788 30 20 JCED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835625915 GVSFSMDJYDDYBY-BNYUCHOMSA-N 451.480 0.164 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)c1ccccc1 1837615277 FPDNIXLHDNZPCL-TYBLODHISA-N 453.539 0.776 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837757365 UNIDLHBSUCFSQW-NHMXVPMISA-N 474.562 0.467 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1Br)CCO2 1838073027 UBVZWBJJTSGIEA-RMUOZIPVSA-N 493.358 0.773 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCCCO)cc1)CCO2 1838544802 SYJJCOPXGYYWRE-RRFNBQSRSA-N 487.553 0.376 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1838567595 FUIZZKMOADHWCS-VWLOTQADSA-N 490.553 0.889 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c1Cl 1838595906 IWFALJYLHBJLBT-QFIPXVFZSA-N 462.934 0.614 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838735191 YTWSRZSUODWBEN-UZUQRXQVSA-N 490.561 0.198 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839073893 FWXQFHNHJNWPOS-JOCHJYFZSA-N 461.519 0.870 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132420 GKWXXBOTUFZTPX-MZNJEOGPSA-N 470.526 0.256 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)c1ccc(O)cc1 1839165556 OHCSQCGFQOKNIG-NRYAXDJKSA-N 457.527 0.480 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)c1OC 1839226949 ZUGJRSFNIYJWAH-KSFYIVLOSA-N 464.519 0.970 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)c1=O 1839487333 BUSKMOULIRMBMI-XMMPIXPASA-N 476.493 0.517 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)nn1C 1839489078 OQXWNPAFIZRYAU-HSZRJFAPSA-N 479.497 0.560 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CSC(c4nc5ccc(O)cc5s4)=N3)C2)C1 1839810727 NTQFPDFSTITWDP-ZHRRBRCNSA-N 486.575 0.954 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839871491 JPDAQLMQBGODTJ-YGKZAACZSA-N 480.562 0.048 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1OC[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]13)CCO2 1840016802 YKIOIOFBYFUXHR-AJGMTHFWSA-N 491.585 0.738 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840164777 GURVUTKMTBPVNG-VGOFRKELSA-N 453.536 0.132 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1840227312 NURHXBKDTKUMQQ-RDPSFJRHSA-N 454.527 0.473 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1840371351 CTQLEQBGEOKVSZ-RDGATRHJSA-N 494.552 0.407 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840436669 UILHVGLYXYWPIM-HNAWTQNHSA-N 477.562 0.565 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844297192 YAFZLMFCFJTUGA-IEBWSBKVSA-N 466.579 0.700 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1847068617 FQPZYFUOLUQHRJ-AWEZNQCLSA-N 469.502 0.151 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1847081896 BHGVWPBPDMXNJM-SEPYTNNBSA-N 464.563 0.310 30 20 JCED CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C#N)cc1 24356188 KSRUNCWQWFZXLT-UHFFFAOYSA-N 478.552 0.838 30 20 JCED CN(CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)S(=O)(=O)c1ccc(C#N)cc1 25937604 IPUWVWYUBOTPNI-UHFFFAOYSA-N 454.516 0.204 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c1 498115772 BNEZIYIEPJWOON-UHFFFAOYSA-N 461.500 0.462 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CCN1CCOCC1 518720122 GRBRTDJTQWKVJS-UHFFFAOYSA-N 482.606 0.673 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccn2)c1=O 590995618 MWGATQZOIQSOJL-UHFFFAOYSA-N 473.624 0.009 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1CC(N)=O 608911420 CZAONYMWRQMZMC-UHFFFAOYSA-N 466.466 0.034 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1 611131834 XPEIVVYSTABOFR-UHFFFAOYSA-N 459.509 0.970 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)c1=O 747366333 YFMVCCLBXDYXSN-CALCHBBNSA-N 455.515 0.796 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 811831455 KWWRMECPYKRDJC-ZDUSSCGKSA-N 465.509 0.430 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)CC2)o1 915381181 MFRPHWLFPBWRCV-UHFFFAOYSA-N 473.511 0.682 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 916676816 UNESAWNSTIDRJD-UHFFFAOYSA-N 461.565 0.763 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CCOC 917769957 ATYGQQCDPJVWAE-UHFFFAOYSA-N 451.932 0.484 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)c1 918635552 QXZSGFBGQQMBIQ-NKFKGCMQSA-N 482.588 0.930 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1266353977 JDAGHPSOTPXDPH-QGZVFWFLSA-N 454.574 0.499 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1501432462 RKKQTPGWEAPBQJ-UHFFFAOYSA-N 455.519 0.502 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503840564 YWYWVOJBLLPMEW-INIZCTEOSA-N 463.539 0.722 30 20 JCED CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CCN1CCOC 1614223355 RUVRSZZGDSZVKK-LJQANCHMSA-N 461.592 0.913 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 1631739089 VIOAHJTYNSRLMK-GDBMZVCRSA-N 452.533 0.977 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1705687889 KXJZRTXXPCSSAW-KGLIPLIRSA-N 464.386 0.992 30 20 JCED CCOc1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1710546876 NZPBBRPSEJXTPU-PMACEKPBSA-N 490.586 0.981 30 20 JCED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)n(C)n1 1725839142 LKHWVGWJKJFUDI-CRAIPNDOSA-N 452.516 0.143 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CCO1 1729690572 SWCZKHPIQFGTTE-IBGZPJMESA-N 450.503 0.656 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729745779 FXCDOBRSUXOPOM-KRWDZBQOSA-N 475.575 0.591 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1748293036 XSXFVRMUMRTNDE-LJQANCHMSA-N 486.602 0.109 30 20 JCED C[S@](=O)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1771372398 UYJSVDCKYBSRGP-YUWQIPRYSA-N 463.585 0.836 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1778369900 ZZGHRXUJUSLVHK-OAQYLSRUSA-N 459.507 0.386 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)nc4cccnn34)C2)c1 1780039930 MBUKHZAQGNAASB-WZONZLPQSA-N 461.482 0.731 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781339834 IWKLFMIGUREBKS-KBMIEXCESA-N 493.601 0.791 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CS(=O)(=O)N4CCCC4)CCO3)C2)cc1 1781786986 OWOUOWTXHYZYGO-QFIPXVFZSA-N 460.556 0.622 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)cc1 1782786905 GUJPAWIURPXYDM-QFIPXVFZSA-N 451.439 0.772 30 20 JCED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1783066138 QYXVWGHLQQTDDX-NFBKMPQASA-N 490.582 0.749 30 20 JCED CC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1783186651 PUYIRUSUHZWXIN-LJQANCHMSA-N 453.421 0.942 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1783275552 HEGYWPVBWDZKOI-MNFWLRKXSA-N 496.605 0.860 30 20 JCED CC(C)(C)OC(=O)NCC1(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCOCC1 1783557204 DKLSXTGVXOVXOH-HSZRJFAPSA-N 479.530 0.226 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1783783765 GYRGXUZSAOALOA-SEPYTNNBSA-N 481.546 0.311 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]nnc3n1)CCO2)c1ccc(O)cc1 1784015241 XDTASPPBJSPQIY-XDHUDOTRSA-N 491.508 0.159 30 20 JCED O=C(Cn1nnc2ccccc21)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784899181 PHJYSROFTYTJTL-YJRJPCRWSA-N 470.530 0.940 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)NC(=O)OC(C)(C)C 1785307766 IWIYQYVRPYQRBU-VGSWGCGISA-N 462.551 0.968 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1785425454 OVRVMDAZVMOFMW-QFIPXVFZSA-N 460.531 0.996 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(=O)CC)CCO2)C1 1785573314 ZJZBBFJNOUHLDF-QQMNAOGKSA-N 464.563 0.648 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1785578351 XMIIGNZHSORWRE-VLIAUNLRSA-N 490.479 0.411 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785666857 IYYZFEZFGRSJKP-AUSIDOKSSA-N 498.646 0.850 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(F)(F)C(=O)O)[C@H]2C1 1787436950 KNDKMNYIXYTUPK-VGWMRTNUSA-N 487.500 0.993 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(C#N)c5)[C@H]4C3)CC2)CC1 1789510651 LXXBAXUDDMGWMG-FKBYEOEOSA-N 451.571 0.932 30 20 JCED CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/N5CCCCC5)C[C@@H]43)CC2)CC1 1789808055 YGJUIMKKAQDCJG-LFMTTZSXSA-N 460.623 0.218 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](CC)NC(N)=O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380306 RHDHDGSXQFMPDZ-OYSTVDSJSA-N 493.605 0.979 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1792795679 YZHZTPYKVNWYRQ-NVEOKQIRSA-N 456.565 0.152 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)c2ccccc2OC)C1 1792812658 NOTYVBGCZZEGHF-UYZIEWPDSA-N 471.554 0.948 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(c3cccc(OC)c3)C1)C2 1793341415 PSUVXAGGAILAGY-REKURBBTSA-N 469.538 0.676 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1793595465 MUBQBRYNAGHIHG-RIUYPTKQSA-N 450.536 0.324 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O 1794362411 XLUIMBZZOVSWPJ-NEEVEDRESA-N 488.541 0.758 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796572632 KOVQKSLUEKEXIA-LXTVHRRPSA-N 486.533 0.534 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC)NC(=O)OC(C)(C)C 1797589198 CWIQPCLNLZRNDU-CGENQQAYSA-N 498.577 0.500 30 20 JCED COC(=O)c1ccc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)ccc2c1 1800111253 KWACXFVILPDHAN-HATOLVCRSA-N 450.447 0.918 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(c2ccccc2)=NN1 1800151191 JQFHOPPHCIHYLE-ICVKDSPJSA-N 451.527 0.201 30 20 JCED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1800495376 KHJCRADTUAQRSH-DCXXXQMHSA-N 478.590 0.868 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2)C(F)(F)F 1800550516 XEONGYLLFSBXEG-JLVBRIDZSA-N 494.474 0.888 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)=NO2)C1 1800710878 YBBKWRHDTAEFLS-JLVBRIDZSA-N 461.519 0.646 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnccn1)C2 1802125072 PHUBRQAFIXMIRC-WQDJSCAQSA-N 457.531 0.525 30 20 JCED N#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806871584 MWHUHFWILYCBSY-LXGFNABISA-N 484.582 0.571 30 20 JCED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2c2cccnc2)c(=O)nc1O 1811542663 IMYYFRRJSNMICG-XLIONFOSSA-N 461.482 0.872 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3ccc(C#N)cc23)[C@H]1c1cccnc1)C(=O)C(=O)O 1812392871 ZEWXBPUOCFKUHH-IERDGZPVSA-N 489.492 0.692 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1813174355 IQQGYQLBNLGZCL-TUWUPGADSA-N 452.515 0.484 30 20 JCED CCNC(=S)NCC(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814984250 OCXGKMMNDJJINY-LBPRGKRZSA-N 451.622 0.821 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)N(C)C(C)=O)CCN2C(=O)OCc1ccccc1 1829055962 SZALUZUYBGVJHN-UUOWRZLLSA-N 454.527 0.939 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1829771086 DKLIUDSIQFHUQN-IYZQMXKPSA-N 471.489 0.402 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)c(F)c1)CCO2 1830143539 YRJLAAHQSWGNDS-FUMRIQNTSA-N 461.490 0.763 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)o1 1830458856 JUHPQRVXPJNFAT-QHCPKHFHSA-N 453.499 0.881 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1831393358 KGMUCLGNAHJFJP-WAIKUNEKSA-N 456.499 0.075 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1832000511 RGJYOAQVSSKENZ-BSRJHKFKSA-N 492.577 0.765 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1ccncc1)CCO2 1832701165 ILKAZVLVTVFJEM-BNOLWBGWSA-N 460.556 0.489 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1833470996 KXTVKDONOZCTKQ-SFHVURJKSA-N 472.652 0.869 30 20 JCED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1833509487 MZZDJTBOVHFUFP-QHCPKHFHSA-N 477.481 0.617 30 20 JCED C=CCCc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)c(O)n1 1834026326 IELOEEQABLAHJG-UHFFFAOYSA-N 498.584 0.643 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)O2)C1 1835352173 PQJIZYKWBCZZOT-HOYKHHGWSA-N 492.573 0.915 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1836381065 VZUCJBFGQLYXRN-JOCHJYFZSA-N 463.556 0.500 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836725823 FSMNILRGJHKHHN-KOSHJBKYSA-N 493.557 0.711 30 20 JCED O=C(COC(=O)C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1837316229 XVKIKJNWKNNUNT-ZDUSSCGKSA-N 454.295 0.449 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(C)(C)C 1837440229 GMWHSRSYIHGMBY-CELOQEIPSA-N 465.595 0.465 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837529502 USQFDCLLWAJQHW-RGAJXYBDSA-N 486.569 0.686 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837531361 KLKCDDJMEANMQH-NZWZXGNYSA-N 465.551 0.444 30 20 JCED CCOC(CC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)OCC 1837567254 AHXHZIGCQBTTJC-XMHVBLFMSA-N 451.520 0.944 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)n1 1837658995 JRVPKAJYGUHBAE-RUZDIDTESA-N 479.537 0.929 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837757215 NIUHAMVSKSFHPW-SBUREZEXSA-N 462.547 0.568 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)c1 1838581758 NOMWOHRIOXWKDL-FQEVSTJZSA-N 467.425 0.747 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(O)cn4)C3)C2)c1 1838584101 QEQVRIASRLHCSA-DEOSSOPVSA-N 466.494 0.980 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(O)cn4)C3)C2)c1 1838584102 QEQVRIASRLHCSA-XMMPIXPASA-N 466.494 0.980 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1 1838735034 SLQIXXHFSQGYDJ-QHCPKHFHSA-N 486.550 0.603 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1839130717 PBUDUZDTAWGCCB-KHCICDEESA-N 481.590 0.911 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1839185081 MFFIOVTVLDVIKT-LLJLJFOGSA-N 494.589 0.581 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)no1 1839186808 OVYNAKYSQKPTGE-QFIPXVFZSA-N 457.462 0.630 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2ccnn2)CCO3)c1 1839709541 KRERWCCDFNYOCA-KSFYIVLOSA-N 454.487 0.490 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840036871 WJWXOYLBGVYLJL-DPSWKAHMSA-N 452.511 0.903 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCOC3)CCO2)C1 1840540836 JYNIBHWHOAGDRS-ZERDBPEESA-N 479.574 0.949 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840819079 NJJAPZUSEWSCPG-NRFANRHFSA-N 461.544 0.410 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840896980 FUSNRNRLOODCDE-FQEVSTJZSA-N 453.586 0.497 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1840908869 JQSNRXFMWSPAFU-GAJHUEQPSA-N 491.545 0.294 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1840909364 YJZXPVQOIDYDGT-UUOWRZLLSA-N 479.574 0.665 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1840917986 ZKLFPGXHPKEPPL-SBUREZEXSA-N 497.593 0.361 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1841055286 OUEQRXBDPQWXBV-YLNCNTMDSA-N 462.547 0.732 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CCOCCOCCOCCOC)C1 1845245935 ORZCLTDZDOYXEH-IBGZPJMESA-N 456.580 0.849 30 20 JCED C#CCCC(=O)N1CCCC12CN(C(=O)CCOCCOCCOCCOCCOCCOC)C2 1846999993 SVLGWQQQKXKBCY-UHFFFAOYSA-N 498.617 0.723 30 20 JCED N#CCCn1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 501748606 NLTMFSZSHZUTAR-UHFFFAOYSA-N 493.480 0.805 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(-c2cccc(Cl)c2)c1=O 502045594 FYNXZMWPMYJIQG-UHFFFAOYSA-N 498.996 0.237 30 20 JCED N#CCCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c1 524282726 HPEMMCHIQZWRDB-UHFFFAOYSA-N 465.535 0.203 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Cl)c4c(c3)OCCCO4)c(=O)n2C)CC1 590983239 UJJSSXUWXMMISC-UHFFFAOYSA-N 488.997 0.929 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)c1OC 603796450 WNHYDZDGDZKTOW-UHFFFAOYSA-N 457.552 0.945 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O 608910907 WCIWNZMYRIZHFG-UHFFFAOYSA-N 454.552 0.746 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)s1 609416528 ODLAROYEIRMONA-UHFFFAOYSA-N 488.616 0.478 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)cc1 729673106 DXYGJIRDDDTHPD-UHFFFAOYSA-N 462.549 0.469 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 769644956 KHPXRNXJKMQDIK-LLVKDONJSA-N 498.439 0.940 30 20 JCED COc1ccc(CCNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 821736025 UHMUTLAZLYPGLO-UHFFFAOYSA-N 461.496 0.644 30 20 JCED CN(C)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 914964392 KRRROXHGJWJSTB-UHFFFAOYSA-N 457.512 0.709 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)s2)c(=O)n1CC(=O)N(C)C 1317945190 DPTYLSSELMSHHS-UHFFFAOYSA-N 496.614 0.992 30 20 JCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1505145425 PPCVECAKYUQHAB-INIZCTEOSA-N 466.589 0.627 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCN(C)C1 1509302911 OQYBHXQOEQCQKR-WIYYLYMNSA-N 483.639 0.444 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCS(=O)(=O)N(C)C 1512371909 WFTKWENLWDWEON-HNNXBMFYSA-N 459.580 0.499 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCN(CCN(C)C)CC1 1723935384 OZSNUNBKPVGQHR-UZLBHIALSA-N 470.619 0.604 30 20 JCED C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1726765367 MXJXITBJBLWKKU-IIBYNOLFSA-N 460.560 0.828 30 20 JCED N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1731187070 XCXYIPHWSXVMRH-CRAIPNDOSA-N 482.360 0.986 30 20 JCED Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1 1762025135 QDRKEEYBNRUUGF-GOSISDBHSA-N 461.544 0.834 30 20 JCED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 1767515209 LJPHAKFTGJQMSA-UTKZUKDTSA-N 460.560 0.419 30 20 JCED N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(=O)NCC(F)(F)F)CC2)c1 1770740711 MLNIHLQBOCCMHA-AWEZNQCLSA-N 477.451 0.501 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)CCOC1 1779018692 CBEPKUSPYBCRSZ-VWPLMULRSA-N 493.605 0.972 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2 1779419606 DODIKSWTUKWHNO-AHLCNKESSA-N 462.503 0.742 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779423060 CFUFSMPOMFYZII-GXRGRJPFSA-N 450.536 0.720 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1780803479 FMNRLDNUNCCHJH-SFGWALBWSA-N 486.635 0.973 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781044671 DBSSKZSCICMJBC-DWKCODDLSA-N 466.579 0.399 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1 1781149732 CHCOPULKJLEFFI-WZONZLPQSA-N 476.497 0.434 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1781169187 JHKBGYJUIVPESR-HOOSLVGPSA-N 476.574 0.649 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CNC(=O)c4cc(C)on4)CCO3)C2)c(C#N)c1 1781173636 UHWQAXAZWVFZDK-XMMPIXPASA-N 481.509 0.666 30 20 JCED CN(CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1)C(=O)C(=O)O 1781903897 UXCQWJRDJSFILJ-HXUWFJFHSA-N 493.314 0.307 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)c1ccc(O)cc1 1782751877 BTRSELYTSOJFPM-MHECFPHRSA-N 471.510 0.262 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783119647 OJCXYNWHRAXOSG-WCJKSRRJSA-N 452.552 0.797 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cc2C1 1783563826 BNWOXULIPUQDOZ-HSZRJFAPSA-N 487.513 0.165 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3ccc(Br)cc3n1)CCO2 1783565303 RATBRVKDHRLCID-IBGZPJMESA-N 461.272 0.628 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567898 HEEQLSPAHMKXPZ-VFCRVFHLSA-N 453.467 0.252 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)CCO2 1783924039 NTECCQPWHYPBDD-QFIPXVFZSA-N 450.536 0.472 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1784540174 IEOWRCIHIPMMKY-DNCCFGNJSA-N 486.635 0.689 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1785571465 BPMFFXJPWVIMFI-OYHNWAKOSA-N 461.519 0.486 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)C1 1786701087 MTIVYFAGYZKODT-XSLAGTTESA-N 450.536 0.906 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788110949 BVPRBWDCACZKSQ-FHWLQOOXSA-N 485.603 0.147 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1788629825 GHCSTJMXUOPXNN-ZJOUEHCJSA-N 470.570 0.813 30 20 JCED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21)c1ccccc1 1788705296 PVRQYQOCNHSYJS-WOZUAGRISA-N 466.538 0.715 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COCCO)C[C@@H]32)CC1 1789839721 BALDCGDIXGGHHI-FHWLQOOXSA-N 494.589 0.516 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790143251 MXXFACYVECXRBX-CJFIXGCPSA-N 476.537 0.954 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791031367 OJIVDSISUQBNNU-FULAYSDLSA-N 475.542 0.842 30 20 JCED COc1ccc(Cn2cc(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)cn2)cc1 1791072617 MPCKCUJEONKBIU-BVSLBCMMSA-N 480.521 0.550 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078995 QUKOMPAOIUUHSJ-SAKMYQHLSA-N 495.454 0.219 30 20 JCED CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079311 HRVUBLUOWGIYTI-JYJNAYRXSA-N 451.520 0.605 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1792257723 KLRUYIQWAQCYJH-JCECYMMASA-N 462.547 0.161 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C[C@@H]21 1792262015 VTKJRZUSGAXYQN-MUGJNUQGSA-N 472.542 0.830 30 20 JCED CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC1 1792342028 VFVZRUVCVLMYFI-BZSNNMDCSA-N 463.531 0.701 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCCNC4=O)C3)c1 1792831947 BXHUADNPUDUZGS-BBIADKPPSA-N 476.537 0.724 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)F 1795165269 UZXAXIXJBGDMMI-LXTVHRRPSA-N 490.504 0.647 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795583163 ODKLJNNSCPITCX-AJYBTWMASA-N 468.595 0.801 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H](N)C(N)=O 1796085642 OGBXSRGAHZGOBW-RHQZKXFESA-N 477.606 0.914 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cn3[nH]cnc(=O)c3c2C)c1 1798464751 KNGBPQIHYVJCGM-XEMDLRDOSA-N 476.493 0.728 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc4ncnn4c2)C3)c(C#N)c1 1799238506 HDZDVOQMNJJPJX-NXKWYNOOSA-N 474.521 0.984 30 20 JCED CNc1nsnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799882599 AFJHPBQJFTZFEP-JJLQDPRZSA-N 452.500 0.845 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800297996 PHNRRSIEHXSSKS-NPDDFVLNSA-N 483.613 0.683 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cn1)C2 1800450728 HUQUEHPBKWJTFZ-UPHUGPLXSA-N 484.557 0.370 30 20 JCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)c1 1802104754 GOUZEABGNRPOCK-UPHUGPLXSA-N 472.592 0.941 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)cc1 1807019766 XRAKOVMYZXXZFR-UGKGYDQZSA-N 471.454 0.927 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC4(CCCN(C(=O)[C@@H](N)CCC(N)=O)C4)CC3)c2c1 1809683632 RUFBZEIKYNWQIU-KRWDZBQOSA-N 451.531 0.872 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810393936 YFQBGRMGMGPNRR-CCCHYJQISA-N 457.487 0.864 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(O)nnc3O)cc2)[C@@H]1c1cccnc1 1811423873 HOXRVULFSVRNFB-JXFKEZNVSA-N 476.449 0.481 30 20 JCED CN1CCCn2nc(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cc2C1 1812288348 XERWVULDODBOCC-VGOFRKELSA-N 450.499 0.521 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[C@@H]1c1cccnc1 1812877711 PZPLCWTVCQXPBS-MGPUTAFESA-N 485.460 0.373 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879944 LJMJYGWHFVPULA-GBXCKJPGSA-N 491.541 0.262 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1814065019 DFWFYYIWFANTNI-SQJMNOBHSA-N 481.553 0.325 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)c1 1816673202 BZCSDDQRFZSUBA-GFCCVEGCSA-N 461.467 0.680 30 20 JCED NC(=O)c1nccnc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819904859 LFWMQNVZFFAFFG-XGBUMPDTSA-N 473.515 0.787 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)COCCOCCOCCOC)sc2C1 1825789428 YLORROHAKJFYCY-DLBZAZTESA-N 483.587 0.790 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1829267439 YGXQHCWSKFKBJL-BOWHEOPPSA-N 464.522 0.907 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1829763774 AEFCZOZWRYXUEY-IYZQMXKPSA-N 457.531 0.076 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CCN(C)CC2)CCO3)c1 1829891943 MWVIJVXZSCRNNK-XMMPIXPASA-N 456.543 0.979 30 20 JCED O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CN1 1829944274 BNNIXSKOLQQWBK-MBSDFSHPSA-N 459.930 0.674 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830056730 PXEPTLMRTWKECQ-QFIPXVFZSA-N 450.536 0.859 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830586195 SRXPYPUZCSQPGS-YEWNNSEMSA-N 493.601 0.911 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2)c1cccs1 1831017546 IYIHWGAECQXGRE-YEFOHOTDSA-N 463.512 0.396 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)CC2)ncn1 1831207965 DGTLPQRMTNQPEE-RUZDIDTESA-N 483.569 0.571 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1831386886 KOMFMDWDYXTGLP-KHCICDEESA-N 489.594 0.591 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1831396797 KDQMYWDPXKUTAZ-HXOBKFHXSA-N 469.498 0.548 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1831420212 STYYQORBTONHTA-VGSWGCGISA-N 466.556 0.751 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1831999090 PNZBYDFYDYCTTF-UZUQRXQVSA-N 496.561 0.364 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832006045 YWZSUTNNBHNWDA-WZONZLPQSA-N 465.547 0.492 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1832052721 VVNOVMVJCBJXLJ-LTZZLEMGSA-N 493.605 0.924 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1832452479 ZKKFXXAOXKHTDC-VGSWGCGISA-N 486.635 0.604 30 20 JCED CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833453774 RDKJFAFCASTIDL-UHFFFAOYSA-N 455.625 0.275 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833514570 QIHIUZZMIUIMMH-FQEVSTJZSA-N 455.515 0.617 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)c(O)n1 1833700198 QVPUFNFMHCWXOX-YADARESESA-N 472.542 0.597 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)=O)CCO2)C1 1834719902 IQDZFKHWEMUVPZ-HTAPYJJXSA-N 453.536 0.891 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c(C(F)(F)F)n1 1835118447 CFONADBBXUDEDR-MGPUTAFESA-N 481.431 0.321 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1835642497 PAMJDQAPAKGWJS-NXMSCROESA-N 498.621 0.258 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1835714515 PQAUYIZSLZFKOT-VQIMIIECSA-N 457.637 0.812 30 20 JCED NC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccccc1 1835815230 CIGLNPFLBHJVSS-BSOPYRCCSA-N 474.558 0.714 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c(C(F)(F)F)n1 1836320782 NYPHDNRSESAWMR-IFXJQAMLSA-N 483.403 0.150 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1837309122 JVGIJIJIFMXJNL-REWPJTCUSA-N 483.631 0.883 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1CNc3ccccc3O1)CCO2 1837348705 PQRMNVZOVPARGK-VUCTXICCSA-N 484.553 0.564 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1837395039 OJRMXJDSCGUCTP-YKSBVNFPSA-N 469.542 0.910 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533140 KKVHASBHNCXYCH-HGRYLZBDSA-N 463.535 0.505 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)ccn1 1837977308 CJHRKVVZZWAXEB-PIVQEWKSSA-N 462.503 0.689 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)cc1 1838632943 QQEYWSBAPBBVBF-QHCPKHFHSA-N 451.483 0.344 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CC1 1838733120 NXVAQWIWWCZBRU-BSRJHKFKSA-N 458.515 0.936 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(Cl)c5nncn5c4)C3)C2)c1 1838736930 BWTZSYKUTWDMRO-NRFANRHFSA-N 469.889 0.966 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(C#N)cc5)CCO4)C3)cc2C1 1838953309 YKUFIYXIUPTLLF-RUZDIDTESA-N 478.553 0.974 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839081899 WJWRVHCAIAIYMQ-HMFYCAOWSA-N 451.589 0.763 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4cncn4)C3)C2)c(C#N)c1 1839133388 NZRKHTMHHOSKOL-HXOBKFHXSA-N 468.514 0.418 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1 1839477312 HXCTVJFTJBGFLJ-QFIPXVFZSA-N 479.530 0.993 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839559261 XJBVQGRLTUBRNQ-UZQCKINESA-N 453.499 0.263 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)NC(C)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1839881082 LDFKSCDATFYIFA-VUMVONDWSA-N 494.589 0.533 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839892759 ABAGFECMEIUJAU-LIRRHRJNSA-N 481.468 0.447 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840018739 RXSADARAKOUPFX-ZVVFGRKBSA-N 479.574 0.901 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c1Cl 1840358398 FDFBGXCOTYXCOV-NRFANRHFSA-N 458.906 0.963 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc([C@H](C)C#N)c2)CCO3)CC1 1840714998 OAPOJIWEKSGADS-IBVKSMDESA-N 497.596 0.548 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C(=O)N(C)C)c3)CCO2)C1 1840787948 YPPOYPOTVXPFQQ-MHECFPHRSA-N 457.527 0.497 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1840811717 TXZKEEXDLVZTSQ-AREMUKBSSA-N 496.564 0.917 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1840819005 JVJXJJDXVJIAGT-HSZRJFAPSA-N 452.467 0.808 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ocnc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c1csc2c1c(=O)n(C)c(=O)n2C 1847827169 OPWPNNNZWKMRNS-ZQIUZPCESA-N 464.613 0.997 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 10351232 DQSPOIQYUABUAB-VBKZILBWSA-N 452.533 0.770 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CCN(C)CC3)c2=O)c1 518724065 DGUGRQWALDJWED-UHFFFAOYSA-N 470.595 0.841 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cc(C(=O)OC)c(C)o3)c2=O)cn1 522390430 KSYDNVVHHPLLFU-UHFFFAOYSA-N 467.507 0.585 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522537913 SLWXGZODAQFXMP-UHFFFAOYSA-N 484.559 0.324 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 642956094 MPYMPOSOGJBZRJ-IBGZPJMESA-N 452.577 0.905 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C#N)c(Cl)c3)c2=O)cn1 726577108 JAZOWYOKFZCSEO-UHFFFAOYSA-N 450.911 0.939 30 20 JCED C#CCNC(=O)CN1CCN(CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 728572437 DGZXNUGAQAGHQY-UHFFFAOYSA-N 496.033 0.820 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)CC1 728589801 KTTHUIBGKWMWSA-UHFFFAOYSA-N 456.590 0.039 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)s1 729673624 YELZQZCKYLRNIS-UHFFFAOYSA-N 451.595 0.450 30 20 JCED N#Cc1ccc(NCCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc1 731360027 TWNIZXQQDPKTIU-UHFFFAOYSA-N 485.526 0.412 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CCC(=O)N1CCOCC1 744990689 OGXKWFAASLRUOX-UHFFFAOYSA-N 456.455 0.549 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCC(=O)N3CCCC3)CC2)cc1 857763554 LLFJWIUMIOEVAL-UHFFFAOYSA-N 462.528 0.241 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(C)c(C)c(S(N)(=O)=O)c3)CC2)o1 915379252 OHIZJVVLGWJEPC-UHFFFAOYSA-N 461.500 0.625 30 20 JCED CN(CC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)S(C)(=O)=O 915388448 PKRVEOMMSLWSGB-AWEZNQCLSA-N 452.533 0.791 30 20 JCED Cn1c(N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C#N)c(=O)n(C)c1=O 917524728 DRVHSEIMRLJKLL-OAHLLOKOSA-N 460.535 0.251 30 20 JCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCNc3ncccc3C#N)c2)CC1 920187144 DVQKRSCNYVOGJZ-UHFFFAOYSA-N 471.543 0.056 30 20 JCED C#CCN(CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 920200290 GBTZBSWGNZVJEY-UHFFFAOYSA-N 491.614 0.270 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1503437510 XARTZFIQTPSIGC-SFHVURJKSA-N 472.571 0.937 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1504530211 SCZRJBGODCRRHY-WCXIOVBPSA-N 456.569 0.258 30 20 JCED CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1517578386 ZIEPKMKKSNHWQO-UHFFFAOYSA-N 477.616 0.768 30 20 JCED COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCS(=O)(=O)CC1 1524067585 KSAMNGUMEZWOMZ-CYBMUJFWSA-N 453.904 0.801 30 20 JCED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)CC2CC2)CCO1 1555994694 KAZFZWUKYNDTSX-HNNXBMFYSA-N 464.573 0.823 30 20 JCED CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1617405865 HXEAAYJCHNKPOU-BBFFTDKLSA-N 459.580 0.562 30 20 JCED C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1618176810 VZZIUNWGUFDFON-ROUUACIJSA-N 456.572 0.947 30 20 JCED CCCNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1709832757 WOYXTCIQNDISLJ-KRWDZBQOSA-N 451.535 0.739 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1751228969 XBYOYAWBTIPXOI-KBXCAEBGSA-N 458.610 0.843 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCOCC2)C1 1770349639 QGBTTYXDOLOBTO-LJQANCHMSA-N 481.623 0.463 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1778370790 JFPGGXNHGXJWSE-SZNDQCEHSA-N 480.591 0.791 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1778965447 RESJOBQRQNBCIZ-ZMPRRUGASA-N 455.552 0.275 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1)c1ccc(O)cc1 1779094424 FWWLHNMHSAQWEB-OPHFCASCSA-N 471.554 0.370 30 20 JCED COC(=O)CSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779359222 XOPCJCDBRWZUES-SNMCFTQTSA-N 454.593 0.878 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779888160 CDSPEQMBRCWBFI-MBSDFSHPSA-N 458.515 0.680 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1780317701 KAPJMUZNFLVELX-IYZQMXKPSA-N 456.499 0.560 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1781290929 KFEGAUPMBZKRCG-SEPYTNNBSA-N 464.563 0.954 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781320841 PEJMLOHOQXMYRK-VGOFRKELSA-N 455.552 0.685 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1781392610 CNJWXEMVYDAYSB-VWKPWSFCSA-N 456.540 0.503 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781859296 QNNMEAKFVKYCNB-CUKRGZBSSA-N 450.492 0.372 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)ccc1Br 1781903446 VSBSJVJBLLQDTI-JXFKEZNVSA-N 478.347 0.357 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CCN5C(=O)C=CC5=O)CCO4)C3)c2c1 1782192008 CTROXYPGNIBAKV-QHCPKHFHSA-N 462.466 0.193 30 20 JCED Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c(=O)nc1O 1782199190 XRHLAGQKTRFJAR-HSZRJFAPSA-N 477.481 0.149 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C[C@@H]21 1783531353 VHGRTVDRZUFXGW-HPHVPLLISA-N 482.581 0.975 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1783682824 YMCOMPNAYIBZOQ-DGEAWOGYSA-N 481.546 0.225 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C[C@@H]21 1784502716 CULFOVYRMBITOP-IWFBPKFRSA-N 498.584 0.750 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2)NC(=O)OC(C)(C)C 1785304229 AEBKBPYMXVPZHY-HTAPYJJXSA-N 462.551 0.968 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1785370417 WRFJXUHTLRIKJI-GOTSBHOMSA-N 462.547 0.882 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnn3C)[C@H]2C1 1786079448 IZZVDSYYRLVASU-DWRORGKVSA-N 459.547 0.930 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]3C2)c1 1786792030 GKDYMRGEFHFLHQ-QZHFEQFPSA-N 464.459 0.632 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788661182 FHQXTCLAAUEOSE-JTSAFBHLSA-N 452.552 0.800 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1789905837 UHMKTUIGXIPHLC-FJIDUMEYSA-N 466.579 0.962 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)C(C)(C)S 1791192015 JOUNCGDCTGBKID-YRBFXIGRSA-N 483.587 0.656 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1)[C@H]1SC(=N)NC1=O 1792424807 VZMWYEKIPVAZLY-GYGOWQKVSA-N 469.567 0.883 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1793383153 NGLFLZQBVFVASL-LTCOOKNTSA-N 494.639 0.385 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795389487 IRRUREBUGCTOMM-IHEQNBGGSA-N 476.574 0.551 30 20 JCED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)no1 1797825963 DMPHCXLVRIARFN-OPMZPASUSA-N 451.483 0.417 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799197227 VUWDHPFQTNCERT-RPVYPSMYSA-N 467.563 0.395 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCSCC2)C3)c(C#N)c1 1799237985 RQIWQMUPLJQXLD-BBIADKPPSA-N 458.584 0.748 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1800534480 CIWWUDLENGLAAT-XIKSMUEASA-N 478.590 0.797 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2)C(F)(F)F 1800549240 UCXOIIVPXNHESG-YWVIFJGQSA-N 461.462 0.948 30 20 JCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)C3)c(Cl)c1 1800688583 VAZZKLPWEWTBLG-CLLJXQQHSA-N 452.862 0.903 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2)c1ccc(O)cc1 1801058697 LLPLJNWHVVXSAI-MTXNFPGFSA-N 494.548 0.750 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1)NC(=O)OC(C)(C)C 1801071694 UIBZRIDOZYOZFP-YXZMJPADSA-N 478.590 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cccc(=O)n2O)[C@@H]1c1cccnc1 1802476329 HOFBXBZISMQPTR-JZACPFSMSA-N 451.483 0.659 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1803507566 SCMDIFMKOFSYMR-ILZDJORESA-N 480.587 0.925 30 20 JCED C=CCC(=O)N1CC[C@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1804389908 KQAMIUDUDIXAEM-VQIMIIECSA-N 465.514 0.111 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)[C@@H]1c1cccnc1 1808393839 SBPOFSMQUSGJMF-XQZMSQOBSA-N 457.556 0.928 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1810288729 KEQQFQPMVGNPDS-CEMARSOISA-N 458.519 0.102 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812390779 CWQBIBOXEGNCLU-FQZWVJCESA-N 455.471 0.343 30 20 JCED O=C(CN(CCO)CCO)NC[C@H]1CCN(C(=O)/C=C/C(=O)c2cccs2)[C@H]1c1cccnc1 1812715572 VYHCBNIHUCWBKN-UXHIBOPISA-N 486.594 0.875 30 20 JCED Cn1c(=O)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)nc2ccccc21 1818380554 IAXXDWLVXLBNED-LLVKDONJSA-N 451.464 0.704 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN(C)C)C2)C1 1828494616 RNUIKGJLARGJLR-ZXAYODBVSA-N 497.596 0.859 30 20 JCED C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828576237 WWSVYDLTIPRLMG-CLOONOSVSA-N 466.538 0.986 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCN2C(=O)OCc1ccccc1 1828589814 NZRYDVICOKPWOJ-JVFUWBCBSA-N 498.536 0.585 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828972607 VAANEWZCLYHUSQ-UGKGYDQZSA-N 451.564 0.766 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc[nH]n3)C2)C1 1829331047 XNUXUGKMHHQZJY-QHCPKHFHSA-N 465.466 0.563 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1ccnn1 1829335280 YPBASDGGBAZRMI-UUOWRZLLSA-N 494.508 0.379 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCN2C(=O)OCc1ccccc1 1829429381 AFNUNGOKXMVZBG-BBVKZKKFSA-N 481.505 0.419 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3C)C2)C1 1829764815 WUXRXPQNSPNMEF-XIUULHIQSA-N 482.581 0.358 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2 1831096788 VCEWAEREPUOBMU-XXBNENTESA-N 467.563 0.503 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cn4cccnc4n3)CC2)CC1 1833075076 NPKQESQLAHYPFG-PLNGDYQASA-N 465.558 0.773 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CC2)CC1 1833464700 OIBYQEHJMYJDOY-GHTZIAJQSA-N 493.649 0.838 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n(C)n4)C3)C2)c(O)n1 1833696837 PTWJHFKEIGKPNO-HSZRJFAPSA-N 471.514 0.729 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)c(O)n1 1833699963 JONKCWHUPKOHCM-DEOSSOPVSA-N 488.541 0.818 30 20 JCED CC(C)(C)OC(=O)N1CCC(CNCC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834758625 RGRREFMBGVIYCH-DEOSSOPVSA-N 493.605 0.593 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096328 BMEKRIFLRNOYJJ-NBGIEHNGSA-N 487.553 0.380 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835345081 BJTDNTSORNBPTP-WAIKUNEKSA-N 458.490 0.704 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)no1 1835673914 ATCCBPJSZCVVJR-QFIPXVFZSA-N 476.534 0.050 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nc2nccn12 1835682457 KPAHSLDMXZDEFS-HSZRJFAPSA-N 469.546 0.390 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)CC1 1835718517 OIOWQXKDOZKSCD-IBGZPJMESA-N 475.590 0.402 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CC)NC)CCO2)C1 1835919452 UDRPNMAXWPJCRB-GRJZNYKUSA-N 480.606 0.910 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836775966 HWKQODWJMIUMQT-DEOSSOPVSA-N 471.558 0.855 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1836780637 GPVMEASUNROUNN-HSZRJFAPSA-N 457.531 0.280 30 20 JCED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)cc1 1837117296 ZLPNBWJRSWAZHA-IBGZPJMESA-N 453.499 0.769 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nc2nccn12 1837445914 BULQDGACFXSIQB-HBAGGBEISA-N 469.546 0.579 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837489401 FXUWEGWZJYJRPU-HOFKKMOUSA-N 481.593 0.856 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837503696 XVHSEKXPLKAJNB-URXFXBBRSA-N 487.509 0.432 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1837528267 CLBCDCNCNBLYNV-XQHLYRQSSA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1837531515 OSUGJGDIBVXAQI-HSBZUZAYSA-N 478.590 0.990 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837633132 FUCCWPOSNFEJMY-MTADBNSWSA-N 465.572 0.863 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-c4ccccn4)[nH]n3)CCO2)C1 1838047850 HORXAXNMBUZDJK-HXOBKFHXSA-N 453.499 0.580 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838111317 XDAZMSCFMZGNSY-AIYSXCBHSA-N 492.529 0.920 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)cc2NC1=O 1838587931 JTFVWFSLHWWOJD-SSOJOUAXSA-N 499.568 0.758 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)c(Cl)c1 1838640874 BYZSWSNFZOAAQI-NRFANRHFSA-N 457.874 0.679 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838654267 UIGWEUJGPUNUNI-MHECFPHRSA-N 488.541 0.774 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839136574 ZUAIIZOOEKUAKZ-KSFYIVLOSA-N 482.534 0.203 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(NC(=O)OC)c3)CCO2)C1 1839244013 YYOAUTNWGYTAFP-GAJHUEQPSA-N 459.499 0.973 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1Cl 1839670286 ZZFFZTCMOQTPQW-QFIPXVFZSA-N 487.900 0.856 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3ccnn3)CCO2)C1 1839710855 JSZMPDVLXXDFLF-YZZKKUAISA-N 492.577 0.765 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839987695 RNPXWZPSDUKHJH-JOCHJYFZSA-N 467.567 0.249 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840017544 RROXYIPUARJGOY-HOFFSEQDSA-N 483.565 0.926 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840077728 ICIYECIABFLCMG-XMMPIXPASA-N 493.532 0.837 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840089271 REROUILWWHESED-RIJOMMHVSA-N 498.577 0.885 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1)c1ccc(O)cc1 1840220255 FFONGSTYWQVXDE-CYFREDJKSA-N 457.527 0.611 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1840230156 AZRQYCZARYGRJA-GAJHUEQPSA-N 456.499 0.163 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1840907253 SHFLYAOTIJWTBE-JKSBSHDWSA-N 453.536 0.130 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1840913145 ZOFFBBBTRFZUQO-VQDLLJBESA-N 480.562 0.047 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N1CC3(CCCN3C(=O)C3(C#N)CC3)C1)CCS2(=O)=O 1842809795 YKVSKWHLLIDUOX-MRXNPFEDSA-N 492.598 0.918 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC4(CCCN4C(=O)c4cc(C#N)c[nH]4)C3)csc2n(C)c1=O 1844796343 LTGJRPIIPGXMLE-UHFFFAOYSA-N 466.523 0.558 30 20 JCED C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CCS(=O)(=O)C23CN(C(=O)OC(C)(C)C)C3)C1 1846141390 QZVQWDJWRMNDRV-OAHLLOKOSA-N 451.545 0.247 30 20 JCED CCc1c(I)c(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)nn1C 1846195497 XCZRFQOONVKBGW-UHFFFAOYSA-N 470.267 0.492 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1=O 10850402 NUHNCBPDSLOUQM-UHFFFAOYSA-N 481.918 0.215 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc1 16775743 ABWKETZKCJQCFM-UHFFFAOYSA-N 483.462 0.596 30 20 JCED Cc1nc(S(=O)(=O)N2CCC(C(=O)N(CCC#N)CCN3CCOCC3)CC2)cn1C 499344086 PDFGDERYEPUOQL-UHFFFAOYSA-N 452.581 0.204 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 503310230 LOFBKSNKFKROQD-UHFFFAOYSA-N 481.534 0.946 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1C1CCN(C)CC1 516371983 HXISDEXGFYSKLF-UHFFFAOYSA-N 498.605 0.603 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(=O)N(C)C 604270314 VUYIHXFMQYWXOU-UHFFFAOYSA-N 497.404 0.961 30 20 JCED CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(-c2ccc(C(N)=O)cc2)c1=O 608828948 SPOMRGSEUTYKLV-UHFFFAOYSA-N 492.557 0.662 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCNS(C)(=O)=O 608912214 IFAXCIRNHFAAOT-UHFFFAOYSA-N 489.044 0.593 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O 725764176 JWBXJHLMSCGGJG-UHFFFAOYSA-N 480.930 0.774 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1OC 726577597 SYPZSPSCWLPHDD-UHFFFAOYSA-N 482.543 0.649 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 727007519 DXJMTKDRZPHFDU-UHFFFAOYSA-N 495.517 0.236 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(Cl)nc1 727164381 MOOQIGZGBZFSBS-UHFFFAOYSA-N 453.911 0.704 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1 749172101 MUDUBVJJQPMOLU-MYYYXRDXSA-N 473.515 0.746 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)c(F)c1 839356828 BIHZBXVHPSIGHD-AWEZNQCLSA-N 455.515 0.734 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 856433825 CWGMYKIETRFHKM-INIZCTEOSA-N 459.528 0.835 30 20 JCED N#Cc1cccc(S(=O)(=O)NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 916808915 BAHITNANYSHVKF-UHFFFAOYSA-N 490.563 0.676 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 917206848 OFEGBLQKISSYLF-UHFFFAOYSA-N 473.530 0.719 30 20 JCED CCN1CCC(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1296024720 HGHOFXAJUNEDKG-MOPGFXCFSA-N 481.623 0.462 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 1359084935 WOENPVDPUUWPKL-CYBMUJFWSA-N 462.370 0.384 30 20 JCED CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c1=O 1502235716 VQLAVTWADWIWKK-OXQOHEQNSA-N 479.538 0.283 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1503828329 NHAQMYCOHNVRSQ-SFHVURJKSA-N 468.562 0.911 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCOCC2)C1 1620171162 UPCLEPJIWGIZBS-QGZVFWFLSA-N 468.580 0.283 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1651414404 OKJBCDJLDROKEV-UHFFFAOYSA-N 456.528 0.881 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CNC(C)=O)CC1 1690346344 QWZVNGGRVDJDTF-MRXNPFEDSA-N 460.988 0.716 30 20 JCED CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1693911894 LKNJBYPNPKLKGR-XMMPIXPASA-N 467.574 0.959 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CCO1 1696970238 TXTFKTKFXBHHKP-QGZVFWFLSA-N 455.519 0.452 30 20 JCED COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1F 1697453935 NNXZLMZQVPJJFK-CRAIPNDOSA-N 480.522 0.536 30 20 JCED N#Cc1ccc(-c2nnc(N3CCN(C(=O)N4CCOCC4)CC3)n2CC(=O)NCC(F)F)cc1 1698487515 OWHZHAWJHBPTKN-UHFFFAOYSA-N 488.499 0.772 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CCS(C)(=O)=O)C1CC1 1705681520 WPRUTNBHVUUKLB-LLVKDONJSA-N 470.415 0.810 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1706095699 ORYCCLJSXBGBCB-IFXJQAMLSA-N 471.559 0.215 30 20 JCED Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1742113502 WJJISMYIFSZPFR-NQIIRXRSSA-N 461.544 0.752 30 20 JCED CCNC(=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCC1 1767194297 TVCVVEXBQPZOPU-HZPDHXFCSA-N 467.596 0.513 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3ccncc23)C1 1778681852 CYPJNAJMGBIGQE-LZVWQHBESA-N 452.515 0.715 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779418383 WOLKSWQTMUXCOZ-QFHRBXGUSA-N 452.552 0.944 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780399859 ZJSPEFXUEDCGNX-ZHRRBRCNSA-N 462.503 0.527 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1780741434 ZQGNCXRSJNKTPC-WZONZLPQSA-N 490.513 0.780 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1781161896 SRZGRRWWQBHUDX-SBUREZEXSA-N 474.562 0.955 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4CNC(=O)O4)CCO3)C2)CC1 1781168737 ZISDTPRJOMWIHY-HJPURHCSSA-N 491.545 0.466 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c(C#N)c1 1781173930 IJMLDIWTZUXYCC-RUZDIDTESA-N 488.504 0.656 30 20 JCED CS(=O)(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1 1781207364 OLASETSDFVUKIA-XMSQKQJNSA-N 473.555 0.997 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCO)C2 1782110990 OEKKSBXUZACBGE-PMAPCBKXSA-N 469.579 0.979 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNCP(=O)(O)O)C[C@@H]32)cc1 1783441637 ZJUCVSUNLIJIEX-FHWLQOOXSA-N 464.459 0.195 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1785572051 HHQVOUKLHLHVMK-MZNJEOGPSA-N 472.542 0.745 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1785575663 AURLVTNGINGVRR-GIMINZRKSA-N 450.536 0.258 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cccnc3)[C@H]2C1 1787477130 XQLTXMWWWWHGAJ-FKEBYFGASA-N 463.538 0.882 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)N4CCOCC4)[C@H]3C2)c(C(F)(F)F)n1 1788651062 PIRCVQJXAYRTAV-YCFGMDTISA-N 497.474 0.216 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(OC4CCOCC4)n3)C[C@@H]21 1791077242 SARACBXUGQKEMT-IEZWGBDMSA-N 457.483 0.321 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1)C(C)C 1791263427 BHTOFURAANBTPV-DYKIIFRCSA-N 498.646 0.656 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(N)=O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791381592 YJCSYPZWVGZJIR-QAETUUGQSA-N 465.551 0.200 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)[C@H]2C1 1792176734 WSNAAWZYGRSETQ-SXYSDOLCSA-N 455.511 0.371 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1792268031 RVOBCZKOMZYHKV-SOWBTEIWSA-N 467.563 0.444 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1793312316 QADXYWXKBWNOQV-IKPIXVSQSA-N 469.585 0.404 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC 1793319110 JGJSKSZOIBJJFT-DMUMMCEESA-N 499.630 0.708 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2 1793347866 LICNKCHZQMPNBJ-NRUGXNMXSA-N 481.546 0.071 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(C)=O)[nH]n1 1794561546 JTZNGNSSWRTXSC-YYAJDYIMSA-N 473.530 0.732 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F)N1CCN(C)CC1 1795999524 ODRGWRWJGCIAOH-OAFZBRQQSA-N 494.518 0.811 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)n1 1796617991 KYGQJTFBTCIJFW-NZGUISNBSA-N 458.559 0.695 30 20 JCED Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)cnc2s1 1797064426 JTZNFEMUFOLICO-OUXOOEHQSA-N 489.554 0.797 30 20 JCED Cn1ncc(Br)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797812349 REGKFZFJGVSEBS-DNNVRAESSA-N 484.351 0.915 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2)c1ccccc1 1797876769 BVDVLJAOPGVCPV-SPHOGXRMSA-N 455.555 0.924 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)CCOC1 1799334196 RLNGXVWQDJXLEA-CLMWXKPWSA-N 473.530 0.773 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1799365436 ZUJQACILECWNNZ-MESABJQISA-N 481.594 0.323 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800299828 XMYMBWDWIRJVCT-DTVVZGISSA-N 485.581 0.721 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)=NO2)C1 1800694649 QCHQXLFBNRPFTD-OLMRKFRDSA-N 461.519 0.646 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CCCCC1 1800777091 AWOWNIUYQFLFJU-HGKCTWBKSA-N 463.531 0.892 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCN2CCOCC2)[C@@H]1c1cccnc1 1802482738 QQLSUIWEJLGYMD-ZOAVUELLSA-N 455.559 0.668 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCC2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 1806900127 YOJKCDQWPAJTKP-GOSISDBHSA-N 490.630 0.619 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)ccc1F 1808549624 NOTCZACFKQZERD-SBUREZEXSA-N 478.484 0.893 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]1c1cccnc1 1810558892 HYFRRMOHGBIUMS-SZQYARNZSA-N 457.531 0.097 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1811500741 OQYQLHJIZDVNBJ-DLVXIWMQSA-N 460.531 0.969 30 20 JCED C=C(C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1)C(F)(F)F 1812675574 SLVJBGLUIIJVSD-WMZOPIPTSA-N 474.505 0.936 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812720997 VICHEOLROCNTNH-OFVILXPXSA-N 481.553 0.325 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1819840705 FPALDVQCWWCLGC-TZMCWYRMSA-N 459.528 0.352 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1822922358 LNMVCSCPLYIHCN-LBPRGKRZSA-N 472.527 0.818 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCN(C(C)=O)CC1)CC2 1822928124 RDLQDSBLDJVRIT-MRXNPFEDSA-N 477.587 0.729 30 20 JCED CC(C)(C#N)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824809590 UWCYKBIXNAZUHH-KWCYVHTRSA-N 490.611 0.785 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CS(=O)(=O)CC)CCN2C(=O)OCc1ccccc1 1828579483 JLEHJKOMHLQHAX-JOCHJYFZSA-N 461.540 0.506 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828805970 GZEKXVJASUJMFS-MBSDFSHPSA-N 470.530 0.799 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCN2C(=O)OCc2ccccc2)C1 1829016768 FTFRHZGUQPIDEI-IERDGZPVSA-N 473.559 0.444 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(Cl)n3)C2)C1 1829763794 BDVFAPQPADWMDX-DYRFGFBLSA-N 462.934 0.592 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3C(F)F)C2)C1 1829769253 PDMICKJODWDUBJ-OLEQZPESSA-N 467.473 0.515 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063143 JUYNKDSAUOVWFC-YKSBVNFPSA-N 474.533 0.879 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830885527 HEHVQYLVANMIFD-FDDCHVKYSA-N 497.614 0.941 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1831397875 YXPFQGJOESLECP-SBUREZEXSA-N 461.490 0.649 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831477928 XWFHIKMYSAOVNT-QHCPKHFHSA-N 468.514 0.419 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833024596 UGYDYKWWQICXPL-OYHNWAKOSA-N 478.571 0.368 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CN4C(=O)CNC4=O)CC3)CC2)c(C#N)c1 1833678091 YWDLCHYCTVHINR-UHFFFAOYSA-N 496.568 0.233 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833788364 HIWYAMTWRNGQKE-FQEVSTJZSA-N 452.895 0.709 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1835714100 WTPDNFUXIFUPLE-ZWKOTPCHSA-N 454.568 0.196 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1835844214 MDSQSKMFQGCKKD-HSZRJFAPSA-N 487.576 0.963 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1837397092 MOWIRMFKMORAPK-GBXCKJPGSA-N 494.610 0.880 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447906 WUTDBBLVELUBEK-YUGCKCMBSA-N 485.585 0.733 30 20 JCED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c(F)c1 1837488652 NHPVRXZWNXSOMZ-XMMPIXPASA-N 475.517 0.998 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837496988 SJQHHVWBAAVFDR-URXFXBBRSA-N 487.509 0.052 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1 1838581878 UAJBJPUYLIJQPH-JOCHJYFZSA-N 469.454 0.152 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1)N1CCN(C)CC1 1838598033 KWNFCUUXOLNIBG-UUOWRZLLSA-N 490.004 0.918 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)cc4nn[nH]c34)CCO2)C1 1838618189 FTUZEAHFGBCIPM-JOCHJYFZSA-N 489.964 0.963 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)CC2)CC1 1838718573 KLAHGCICYVSDBH-OAQYLSRUSA-N 452.511 0.839 30 20 JCED CCOC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)ccn1 1838722647 GYFLMUYLRHJWQJ-HSZRJFAPSA-N 467.482 0.842 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)[C@H]1SC(=N)NC1=O 1838950984 RANBXXMKJQFPBP-ORHBMQHOSA-N 471.539 0.431 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839036407 BFDVIJIDNUJQTM-MWTRTKDXSA-N 458.490 0.704 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839082782 PVXRIOQJVVBVHM-VYNGOTGUSA-N 475.590 0.316 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1839225501 LAMYDKDCLGJAOZ-IQMFZBJNSA-N 472.498 0.692 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n[nH]1 1839488144 AHSWNRNCRMRREH-HSZRJFAPSA-N 463.498 0.779 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839633497 IPIBTGBYRGHTQE-MEKIYTOJSA-N 456.543 0.800 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1839874353 CGTUUZGWBFAPPA-QZTZHPFYSA-N 494.589 0.438 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)[C@H]2C1 1840018775 SWXGGVXOGPSVMR-ZVVFGRKBSA-N 492.573 0.628 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044312 CLLKESVEZPZEBL-PKTZIBPZSA-N 497.520 0.270 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CC[C@H]1C(=O)OC)CCO2 1840140399 YKYJUQYRLCCVOG-PMTFFNCGSA-N 475.542 0.057 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840175580 UWGUJXHNYLVOHJ-HSZRJFAPSA-N 478.546 0.785 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1840176503 DXLMSGIRCBIPSV-BJKOFHAPSA-N 473.526 0.563 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840568068 CTKHYMMQBWVGPN-DVECYGJZSA-N 480.606 0.700 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1840715557 FWVMVRIMUQLDQF-HCLVMJGWSA-N 475.567 0.961 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1840795487 LCANBSGVNPMQQN-IEGUWTFLSA-N 482.578 0.437 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOC[C@]3(C1)CN(C(=O)C1(C#N)CCC1)CCO3)C2 1840815555 YMIPUVUPXGXPBD-CJAUYULYSA-N 499.568 0.772 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1ccnc1 1840818548 IZWBFTYGXRVBGV-WZONZLPQSA-N 453.499 0.851 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1840883278 VCZINTQUWOUKEZ-NTKDMRAZSA-N 495.573 0.703 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnc3)C2)C1 1840906454 BZBFKZRBWNAWBB-JXQFQVJHSA-N 489.573 0.817 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(=O)C1CC1)C2 1846365763 UQVVDIFUIZBNOR-INIZCTEOSA-N 478.546 0.974 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(C(N)=O)cc1 522535803 IFQWOSWAMXUMLQ-UHFFFAOYSA-N 484.484 0.542 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(N)=O 524281973 JJHBGFXPUSJTTC-UHFFFAOYSA-N 450.467 0.416 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 603496331 UDBGFJXWJSCNCO-UHFFFAOYSA-N 480.543 0.899 30 20 JCED N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(N)=O 608911129 LPKOOTTVRIPGFS-UHFFFAOYSA-N 492.469 0.460 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1CCc1cccnc1 609038710 WNKCOPIGMFYPPB-UHFFFAOYSA-N 452.561 0.971 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1=O 726042730 LOQIQCVTBYLKMP-UHFFFAOYSA-N 456.455 0.818 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC2CC2)C1=O 730945290 PHCOIXBOWUAYCJ-VFOOBRQFSA-N 454.574 0.697 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1 731202478 JQYJBJMIVRVKOJ-UHFFFAOYSA-N 472.542 0.925 30 20 JCED N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1C(F)(F)F 916780707 VQWBDCARKSIEFW-NWDGAFQWSA-N 479.458 0.418 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1OCC(=O)N1CCOCC1 1126662423 XUUNCCFSQWPTIN-UHFFFAOYSA-N 458.496 0.601 30 20 JCED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1156592234 RAAFDWLOZXAJNU-QRWLVFNGSA-N 456.524 0.748 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1298327565 WNKBBJBRMSEECI-IBGZPJMESA-N 470.559 0.901 30 20 JCED C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1303722340 NHMKAIZRGJPFFG-FUHWJXTLSA-N 458.592 0.724 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1cc(Br)cn1 1303866967 MHRXNXMMOHXAAB-GXTWGEPZSA-N 487.384 0.666 30 20 JCED CC(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359638525 ZVBCRZXJXNZFEA-KRWDZBQOSA-N 480.577 0.663 30 20 JCED COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1503901523 URGNGFMEBVFIGK-UHFFFAOYSA-N 469.502 0.476 30 20 JCED CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1510342178 VZROTVNQHXEGCG-OAQYLSRUSA-N 461.544 0.894 30 20 JCED N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N2CCSCC2)c1 1521082783 MXYAFKZJWYCCJT-GOSISDBHSA-N 473.584 0.924 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1547415481 VNFXSUIBUSYNRQ-UHFFFAOYSA-N 462.562 0.984 30 20 JCED CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1552416676 NFOBBIZTTLLZCO-MKTHODDLSA-N 479.632 0.855 30 20 JCED CC(C)N(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1607938518 IXBTUGODADAHEA-SJORKVTESA-N 452.567 0.946 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCC[C@@H]1C 1611707239 NKRZNAXEAGCDLE-COCVIAQXSA-N 451.597 0.616 30 20 JCED CCC(CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1613508731 RSRUPJVAZUFYFP-QRQLOZEOSA-N 483.639 0.754 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690229235 QRVJRWNKMCSVEC-VXGBXAGGSA-N 453.384 0.712 30 20 JCED CC(C)NS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723662195 IVNHAGTWVGSGBD-LJQANCHMSA-N 458.592 0.768 30 20 JCED CS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1750218022 SWGXICMGVBUGMM-UHFFFAOYSA-N 467.559 0.873 30 20 JCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1761037354 COLAUYQSJKXUNK-HXUWFJFHSA-N 464.574 0.917 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C[C@@H]1C 1771150604 WXQNGJBKFGHJFK-YADARESESA-N 469.590 0.952 30 20 JCED CCn1c(-n2nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)cc2C)cccc1=O 1777718154 IVTDSWPHUVCLAT-KBMIEXCESA-N 495.536 0.578 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/C(=O)c2cccs2)C1 1778096628 FBLICGPYHZLTDC-MXPYRHNKSA-N 462.572 0.594 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778114428 GDWZHHWMNTUQFK-JXFKEZNVSA-N 458.581 0.289 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1=O 1779019214 NPKLYNYXYHGZCS-HPTBBYBNSA-N 453.499 0.737 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779035401 VRVWVBZJXKBLNW-ZHRRBRCNSA-N 483.635 0.770 30 20 JCED O=C(/C=C\C(=O)NC1CC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1779229899 OJPKCXQUVDSODN-DBGDDRHLSA-N 462.547 0.864 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](O)N3CCOCC3)C2)c(Cl)c1 1779415229 HVPHCPSBJROGRB-UEVCKROQSA-N 476.961 0.990 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1781187318 GEPIZYPYXBOABK-VFCRVFHLSA-N 473.592 0.981 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781255765 HRVWEMTUJBCFAK-AHWCRGGASA-N 450.536 0.420 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1782072185 FHDNNCBGEYBCAW-ZJSXRUAMSA-N 492.573 0.710 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782564301 WGSHLAPTLSQMOV-HSZRJFAPSA-N 459.547 0.672 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1782671612 XKGQDUJJUDULPN-BVZFJXPGSA-N 477.521 0.980 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCCCNC(C)=O)NC(=O)c1ccccc1)CCO2 1783055474 VGHLBWKLKSLZMP-PXDATVDWSA-N 468.554 0.555 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C2 1783269235 MBVFWYKECMQQLT-YZZKKUAISA-N 499.630 0.852 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCO2)C1)C(C)(C)S 1783778037 NZBUPFJGFZLPLK-IIBYNOLFSA-N 475.608 0.427 30 20 JCED CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783801115 BWMGMOIGJAALOC-AOMKIAJQSA-N 451.520 0.701 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)n4cnnn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1784601463 QZYRDLCFXABZES-PNLZDCPESA-N 475.550 0.630 30 20 JCED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)CCC1=O 1784980407 ADQSLXPVEURZQM-ZWOKBUDYSA-N 453.499 0.525 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1)c1ccc(O)cc1 1785153386 DLGIAHHWBTZWOC-OHNKGQGDSA-N 482.537 0.467 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)CCO2 1785426363 WIDKHDUHJQDWJP-MHECFPHRSA-N 492.621 0.776 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(C)cc(C(N)=O)cc3C)[C@H]2C1 1788595442 YPZWISMSSOGMOU-HYGDWFSYSA-N 468.554 0.854 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789935122 CUAAQEIWWIZEKN-VMXHOPILSA-N 469.579 0.833 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1790174896 FMPZRPOCAHGJCU-JPLJXNOCSA-N 458.515 0.995 30 20 JCED CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2cccc(C#N)c2)CC1 1792830887 CJMQGACDEPPEST-BRTYFSMRSA-N 453.587 0.718 30 20 JCED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1795274577 FLPKQYWHPKUGDM-QSNWEANLSA-N 462.506 0.634 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1)C(C)(C)O 1795413860 VZTWXLMETWNUTK-QKPAOTATSA-N 450.536 0.544 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c3nncn3c1)C2 1795599209 YFRVDKZPEBBENG-SCAQPMJSSA-N 459.938 0.868 30 20 JCED CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)cc2C1 1795601059 PTOAHHVNGLJNIR-XEMDLRDOSA-N 457.579 0.204 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1799302119 ZLOLOKCCLOYZBD-SFNKJDCFSA-N 483.562 0.361 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC=O)C2 1799334461 DBHOSRZJUMZAGH-URZNZNTCSA-N 472.542 0.582 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12)[C@@H]1SC(=N)NC1=O 1799882536 UTHOOCCZVQJMKT-VGUPNMIISA-N 481.538 0.440 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)Cc3ccc5ncnn5c3)C4)c2c1 1799884722 QDCMGIUAFBMVFC-FAQVEIGNSA-N 470.493 0.923 30 20 JCED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1800839115 BPJHYIXCMKCIKO-LZPJUBFHSA-N 471.551 0.175 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1801989349 LIXLLKMJFNNKPQ-LTTGWXLMSA-N 493.520 0.533 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2)C(C)(C)S 1802181767 TXLNSAFORABZKO-UMPJEAMMSA-N 497.618 0.778 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1803565809 AYRJDDVOKALTMO-RZFNWQHOSA-N 457.575 0.843 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806083804 KLGNWWYTYXASRU-UWJYYQICSA-N 480.525 0.851 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807950566 UVZDVOFDXZWUKC-DNVCBOLYSA-N 480.485 0.037 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1808295278 DZZFRQDYNNYDPI-QAPCUYQASA-N 453.503 0.884 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1810567827 VXFWKFPJGPFLJK-DYXWJJEUSA-N 460.531 0.748 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1813335122 BKYCHHBYDGWZQZ-KSEOMHKRSA-N 494.600 0.840 30 20 JCED C[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1822379861 ODGZMWDXOZNYBL-YPMHNXCESA-N 474.547 0.167 30 20 JCED COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)CN(C)C(=O)C(=O)O)sc3C2)c(C#N)c1 1824673887 RXJSLDRPSLSQGE-AWEZNQCLSA-N 485.522 0.721 30 20 JCED CC[C@H](C)[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828588540 BVDKVVRGNBULSD-FKRCVWNDSA-N 485.537 0.934 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829306391 SQOUEKQZBFPXKY-BNIKKZEQSA-N 496.564 0.613 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](O)c3ccco3)C2)C1 1829330166 AQNDLEPWEYGWTJ-RCZVLFRGSA-N 495.488 0.853 30 20 JCED Cc1nnc(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)o1 1829332156 ABXAJSVVDLABNO-XMMPIXPASA-N 495.492 0.461 30 20 JCED CN1N=C(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)CCC1=O 1829628622 QZZQBMGPGWWDJW-DEOSSOPVSA-N 467.526 0.555 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1829773827 WUJMJIXIRBFCGM-KSEXMQBYSA-N 488.497 0.532 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456221 GENBALYMGGZGCQ-MBSDFSHPSA-N 492.598 0.275 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1830881723 IUUUNVACAWCOLI-WZONZLPQSA-N 465.547 0.132 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2 1831192414 FXZJKMSZCSETDM-NXMSCROESA-N 494.589 0.274 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1ccc(F)cc1F)CCO2 1831287256 ZAQVTPQETBKTCX-FQEVSTJZSA-N 454.451 0.601 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1831403202 ZCHCJGCJZALFIH-AJSYOGKFSA-N 460.483 0.311 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1831409200 NFBOPUZUKNUBGO-QHCPKHFHSA-N 475.546 0.069 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831464973 WWYIOSDYONLJMG-IVZQSRNASA-N 489.554 0.185 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1831491752 FPHQTWWDYQIAOV-HZUJVAHNSA-N 465.576 0.006 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1831998595 OLLBKCSXZLLOTG-SBUREZEXSA-N 477.562 0.960 30 20 JCED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1832825104 NLBNXOMZJNTOTJ-SFHVURJKSA-N 468.558 0.467 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)CCO3)c1 1833028459 PIJIMDAHLYVRSX-AVRWGWEMSA-N 493.520 0.635 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nc1 1835673087 WAQXNFWKADZKHP-HSZRJFAPSA-N 458.563 0.499 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835715820 RCASPVCLVZIUGB-OAQYLSRUSA-N 486.617 0.775 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)ccc12 1836253488 FPIIHBJLDUYJTQ-QHCPKHFHSA-N 469.498 0.885 30 20 JCED COc1ccc(-c2ncccc2C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1836363378 YRLHHDBKMQGMMV-VWLOTQADSA-N 479.489 0.915 30 20 JCED CCOc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cnc2c1cnn2C 1836377450 ZZKQCOWYMIPFBT-JOCHJYFZSA-N 456.503 0.741 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837532682 FDADWDSHFDPXRB-RVUOGAPUSA-N 469.535 0.561 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1)c1ccccc1 1837614723 VPRXDDMNSJBXQB-SHQCIBLASA-N 482.625 0.887 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)c1 1838905459 HBZYZALZSQKPFH-XMMPIXPASA-N 465.510 0.776 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1839109875 YSIMMZJKTRSXTI-FHAGJXEFSA-N 493.601 0.864 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)ccc1F 1839187394 ZQKDQNRMTCWICT-QFIPXVFZSA-N 471.493 0.029 30 20 JCED CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839188052 IXGSONOFRQUZJY-UGKGYDQZSA-N 465.547 0.810 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1)n1cnnn1 1839424903 HOYJUYCXIZTMHV-XOBRGWDASA-N 459.894 0.529 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839517912 FQVGPDMPTGZLEJ-DEOSSOPVSA-N 472.542 0.434 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)NC(C)=O)CCO3)c(C#N)c1 1839878665 DHRZJKMVPYGJEX-HJPURHCSSA-N 458.515 0.090 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1)C(F)(F)F 1839892651 ZDDIEZHWRAJPRM-QGZVFWFLSA-N 478.449 0.027 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840008754 QBXNZUWZIGUSLN-GAJHUEQPSA-N 463.531 0.102 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840077121 ATWCFSDVSTVWIR-AUSIDOKSSA-N 472.579 0.086 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2 1840762588 FLNIVECSSVJCAX-QHCPKHFHSA-N 493.582 0.850 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)CC1 1840806815 YDJNQUKALISJBH-HSZRJFAPSA-N 479.578 0.299 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CC(=O)N(C5CCCC5)C4)C3)C2)CCC1 1840812335 LUNRJQCOIXNCTM-HOYKHHGWSA-N 458.559 0.928 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1ccnn1 1840820533 VONZUUVDZUKRTE-VGOFRKELSA-N 454.487 0.246 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1840907587 YXIODNNIUNEJEV-CPJSRVTESA-N 492.617 0.701 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1840909575 WRIUKWIYLCKTFF-HTAPYJJXSA-N 461.519 0.396 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1840913706 LQQDDBLBWSNXHY-VYXDICFBSA-N 453.536 0.293 30 20 JCED C[C@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CN1C(=O)OC(C)(C)C 1840958956 KUIMVWSLTOKTLW-RHGYRFJNSA-N 493.557 0.566 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CC)C1 1841281477 WHAJTOOHYLBWIS-CVEARBPZSA-N 468.551 0.766 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 10453389 OMGFYOAKMKESOL-UHFFFAOYSA-N 457.468 0.729 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 31806633 VUKSKVYHOUWVJE-UHFFFAOYSA-N 465.510 0.906 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)CC1 104972404 VBPCUOORYAMKOH-UHFFFAOYSA-N 456.311 0.955 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc2c(c1)OCCO2 524266614 NAUBVKNMZBNVMD-UHFFFAOYSA-N 477.546 0.462 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3ccnn3C)c2=O)cn1 608884065 RDHNMWKUDZNNEZ-UHFFFAOYSA-N 462.491 0.449 30 20 JCED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 609357773 KEZFCJKJLGKCQR-UHFFFAOYSA-N 464.482 0.881 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@@H](C)CN2CCCC2=O)C1=O 726403046 IRTGIUFASTVDHK-ZYKCGODDSA-N 481.600 0.281 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 746135767 UXDSRMUZGVWHPM-QGZVFWFLSA-N 483.568 0.338 30 20 JCED C#CCNC(=O)[C@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 854213305 DJYLLGYKLFFHOT-INIZCTEOSA-N 476.555 0.691 30 20 JCED C[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(CCC#N)c1ccc(F)cc1 857837981 ULXZQXGLTHUKSE-AWEZNQCLSA-N 470.461 0.841 30 20 JCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NCCNc3ncccc3C#N)CC2)c1 916641346 XNESWHORKHQNGJ-UHFFFAOYSA-N 478.556 0.929 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1288825801 LTYHANMGHUPWBU-LIRRHRJNSA-N 455.560 0.979 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 1291920575 SSALEKHDRNETBT-SJCJKPOMSA-N 459.450 0.915 30 20 JCED CS(=O)(=O)c1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1302429277 ZJXOQLKIXWLGCB-QGZVFWFLSA-N 458.544 0.775 30 20 JCED Cc1ccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1F 1304267548 STGUXLGGLJAAFQ-DLBZAZTESA-N 476.534 0.787 30 20 JCED CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1314264285 QOLNXWIYHCCYJS-UHFFFAOYSA-N 461.544 0.894 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1611712143 YYLSZRIJLHLYRP-HOCLYGCPSA-N 474.522 0.990 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC1 1619939173 LTAULNQLUKLFRW-UHFFFAOYSA-N 461.592 0.913 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1710881045 LGPDEEMSURWIBX-INIZCTEOSA-N 460.516 0.804 30 20 JCED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)n(C)n1 1725843639 XDJGLSUSCANXER-QGZVFWFLSA-N 462.580 0.831 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1747607501 OFSPYNDGAJPGMT-ROUUACIJSA-N 473.559 0.570 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1749246292 XVAICWDDUNLWDE-UHFFFAOYSA-N 467.530 0.394 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H]2CCC(=O)N2)C3)c(C#N)c1 1780686962 SKYLOIGAOGUNTI-YOSAUDMPSA-N 454.527 0.902 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1780933349 ZNWBCMOBXTYOFO-RXFWQSSRSA-N 495.576 0.950 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)N2CCN(C)CC2)CCO3)c(C#N)c1 1781173475 DMDOVUXNWOGRJD-UQBPGWFLSA-N 469.586 0.575 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781339832 IWKLFMIGUREBKS-DFBJGRDBSA-N 493.601 0.791 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1781395671 OWSZPLKFRUUMKQ-BTYIYWSLSA-N 463.560 0.522 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781399486 GESWTXDYVLTPRN-UGKGYDQZSA-N 473.567 0.313 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1781832955 AJXHUVSRVUGUSU-YLNCNTMDSA-N 450.499 0.569 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c(C#N)c1 1782961568 VUIWGTXEZYZKQF-UGKGYDQZSA-N 461.540 0.516 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783466606 WORAAPVMGBDCAA-FNVCAUGXSA-N 461.515 0.551 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccc(F)c34)C[C@@H]21 1783530673 QSJHRJQFCJLFGG-RVKHQLRBSA-N 455.490 0.925 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]nnc3n1)CCO2)c1ccc(O)cc1 1784015233 XDTASPPBJSPQIY-BXKMTCNYSA-N 491.508 0.159 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1785577950 SEBONMWTVPGDEE-IEGUWTFLSA-N 474.562 0.661 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)[C@@H](O)C1 1786693479 ZYNOMZYPILMFKQ-VMXHOPILSA-N 476.574 0.888 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)Cc3ccccc3NC4=O)[C@H]2C1 1789156102 FKNFASZAPUTIBT-FTRWYGJKSA-N 477.477 0.178 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1792148534 PPWSWOCZNGJOGT-ZOBUZTSGSA-N 468.432 0.595 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792557164 WWRRTQRCDLZPNW-XAPVIXHLSA-N 486.569 0.966 30 20 JCED CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1792628570 AYMQUOYOXCLJQP-JLVBRIDZSA-N 478.347 0.795 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2 1797742347 VLBSVFKMQJZJJM-FFECZHCKSA-N 451.531 0.942 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(C)=O)c1ccc(F)cc1 1799056298 MZDWQIROWWIIKH-RUOHDLJMSA-N 472.517 0.451 30 20 JCED CC(C)C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)N1C(=O)c2ccccc2C1=O 1799375173 NCGPGGVIKBHWRP-LIWAJOSJSA-N 481.505 0.375 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1800177592 IOYRXNRBCLAECB-RHXYOOSCSA-N 464.563 0.759 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1807026868 VAWRBICUTPPUJE-GUZAIAMPSA-N 483.462 0.341 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808273972 PIRJITWXQOANGE-VJANTYMQSA-N 458.563 0.290 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808693735 MNHLCCRLBIPDST-FUHIMQAGSA-N 474.514 0.451 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)[C@@H](O)N1CCOCC1 1810353972 MTWDODBXQZQUOZ-LUPDEVFWSA-N 458.563 0.210 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810566208 QFSZLRKJPOVWCA-LBKXAWHRSA-N 455.515 0.951 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1)C2 1812439021 UMMGIQDGGWZIQM-BSRJHKFKSA-N 493.520 0.811 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665385 JCFZQRSDIIXVSG-DYEKYZERSA-N 478.527 0.513 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCN2C(=O)OCc1ccccc1 1828935855 MMNHWVWFPXGCER-XMMPIXPASA-N 454.527 0.940 30 20 JCED Cc1nn[nH]c1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829031495 UEQBRKSEUUIREL-HSZRJFAPSA-N 480.481 0.267 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1829267078 POGZDAQRTPOYMP-KOSHJBKYSA-N 452.511 0.762 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1829769963 ABOMSSLVAQUFRY-UZQCKINESA-N 453.499 0.263 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NNc1ccccc1)CCO2 1829807800 DKTGNHMFEFUUGN-NTKDMRAZSA-N 474.558 0.957 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4c(O)cc(O)cc4O)C3)C2)cc1 1829905505 BREKSVNAUGORGN-XMMPIXPASA-N 467.478 0.988 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831437502 BWCVUGQXTVMEEF-QFIPXVFZSA-N 461.540 0.463 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833615741 SIZWEQUGWBVGEM-YADARESESA-N 472.542 0.027 30 20 JCED O=C(CN1CCCC1=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834626628 XLKJIBCLEDVRJW-UHFFFAOYSA-N 458.603 0.879 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834774945 JFFGLUYFZYJTSG-AWUSRGSFSA-N 467.482 0.624 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1835101576 ABHJIMJINQDZAJ-QHCPKHFHSA-N 452.467 0.069 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(N5CCOCC5)cn4)C3)C2)CC1 1835340684 FAMBBODUPMQPBY-QHCPKHFHSA-N 455.515 0.292 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1835845321 MKZYLPYMNVKTEI-QFIPXVFZSA-N 485.585 0.660 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835874381 YMIZSDPPNRXPOO-LHSJRXKWSA-N 459.528 0.382 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1sc3nccnc3c1N)CCO2 1835876527 LRDYESGDVKVFIT-QFIPXVFZSA-N 489.554 0.853 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)COc3ccc(O)nn3)CC2)CC1 1836504853 ONSJSCFGWVCCAZ-GOSISDBHSA-N 461.563 0.706 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836510984 QRJFKRQAOWSUNQ-OAQYLSRUSA-N 470.442 0.339 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1836638780 UCULVSMQBWJEBX-UHFFFAOYSA-N 497.548 0.854 30 20 JCED CCc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1F 1837441032 NQHJKZCJHAJQNA-IIHIVLJSSA-N 450.515 0.653 30 20 JCED CCn1nc(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527320 LHUKSAQPBQWQIG-JPHKLTHBSA-N 463.535 0.810 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)no1 1837529440 UPWDBRJHGREDJN-UELCCTMMSA-N 493.517 0.297 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1837605507 AZRXNBNTZGPVEP-LUQKVYGDSA-N 465.576 0.006 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)CC[C@H](N)C(N)=O)CC4)CC3)c2c1 1837882660 JIPAVWBHPPYQRW-IBGZPJMESA-N 481.557 0.640 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906940 OBONJJZJUSJLFR-QHCPKHFHSA-N 453.499 0.785 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(Br)ccc1O)CCO2 1839137500 BAOWOCQELNKUQZ-HXUWFJFHSA-N 481.299 0.242 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1839227185 LUNKQIUPUCSXSG-SJCJKPOMSA-N 462.429 0.694 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(NC(=O)C3CC3)cc1)CCO2 1839250787 LODYRAHISKOSFC-QHCPKHFHSA-N 455.467 0.193 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)C(F)(F)F 1839487428 IFLWWTIKCPSZQF-PMACEKPBSA-N 481.431 0.818 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839551535 XMXJDXNINBEQHB-HSZRJFAPSA-N 454.531 0.686 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839552654 LXSPPGZYJFKLDX-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 1839808516 SQMXVMRJVBRJQE-QHCPKHFHSA-N 473.530 0.337 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1839840753 LMIFRIYUYGVKLB-PMAPCBKXSA-N 468.595 0.897 30 20 JCED CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110920 LTUPBAAFFRBDSM-VGSWGCGISA-N 488.651 0.606 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)S)CCO2)C1)c1ccccc1F 1840162793 HQGYKEJVFDMLMM-UJUVCNOISA-N 467.563 0.952 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1nc(C)cc1C)CCO2 1840344978 WCYYICLSOIZNMO-UZQCKINESA-N 459.547 0.205 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n(C)n1 1840819183 UVRQZRFIAQRBRM-HSZRJFAPSA-N 453.499 0.749 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1841476249 QZMHGOUHEIWAQN-SFHVURJKSA-N 484.557 0.866 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@H](O)N3CCOCC3)C2)N(C(=O)OC(C)(C)C)C1 1844297929 OVIMENKGTOTPSS-HKUYNNGSSA-N 464.563 0.406 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1847803736 ZWEAKRXMFYDYQV-XSLAGTTESA-N 485.603 0.555 30 20 JCED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCCO2 497551505 JEWGAGCRRUQMCE-INIZCTEOSA-N 496.570 0.925 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)cc1 501223428 DQAAPXZCAKMCPG-UHFFFAOYSA-N 482.606 0.983 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2F)c1=O 501766556 QQEGWJICLCNLGU-UHFFFAOYSA-N 459.499 0.364 30 20 JCED COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 518074397 IOZKOKAGBZQUHU-MRXNPFEDSA-N 486.554 0.554 30 20 JCED CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 518129480 LAVDKKVQKLYNGQ-UHFFFAOYSA-N 483.550 0.661 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(OC)c2)c1=O 523744008 ZCCDTSRNRLBUQU-UHFFFAOYSA-N 470.595 0.622 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCNS(C)(=O)=O 589160682 LPKCMCTYYCOCCL-LBPRGKRZSA-N 453.611 0.947 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1C1CC1 590996922 GVVBAAPYGMSNKL-UHFFFAOYSA-N 458.971 0.850 30 20 JCED CCCCn1c(=O)nc(O)c2c1nc(COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)n2C 749020142 KGDVMAXRGYTLJP-UHFFFAOYSA-N 474.499 0.529 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)c1 805698642 CBVLNMGTSFADMC-UHFFFAOYSA-N 477.583 0.906 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC3(CC2)OCCO3)c1 918409063 WDGDWKYGXJLLSV-OQKWZONESA-N 450.517 0.803 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CSCCS1 1288861902 FYEWUWRJPOMHGT-CWRNSKLLSA-N 471.678 0.913 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1503287244 UYPINXUJTRUBNJ-UHFFFAOYSA-N 475.575 0.727 30 20 JCED CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1508701270 FXDZSXJPZPARND-RCCFBDPRSA-N 465.624 0.922 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCOCC2)CCCCC1 1611711572 QIFBMUVGWDEXNO-QZTJIDSGSA-N 481.623 0.652 30 20 JCED CNS(=O)(=O)c1cccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1625381406 QNMYICQGSSNERX-CYBMUJFWSA-N 450.542 0.728 30 20 JCED CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1649540941 NVELXQVSEHFYQV-QGZVFWFLSA-N 450.609 0.983 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1=O 1698097755 PXUBYYOAQBWZSP-MGBGTMOVSA-N 472.571 0.935 30 20 JCED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1=O 1730777095 VTUREUMTEZFWGX-TZIWHRDSSA-N 481.557 0.653 30 20 JCED CNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1767807520 WQAAUWNWIREPGD-QGZVFWFLSA-N 461.548 0.255 30 20 JCED COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1770138013 VWEZDZPRTLRBCC-IBGZPJMESA-N 475.571 0.740 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778787087 KSKCBHQCRRGQLH-MFEFFIJZSA-N 498.577 0.740 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1778806560 IOIGHOWXWBRMHO-GAJHUEQPSA-N 493.609 0.667 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1778973854 NTDHOVRHGDZWSP-VXEMUYFQSA-N 481.590 0.760 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCNC(=S)NC)C3)C2)c(O)n1 1779035824 PGQYOWGZGSJKKO-JOCHJYFZSA-N 461.588 0.833 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137447 NIDHKIWEIJLIJW-NLFYAGIKSA-N 490.557 0.899 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779428127 HTDZFEKMCYQVTO-SIDJUTGSSA-N 469.608 0.513 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)CC2)CC1 1781109066 KVTALRSRYWMYOS-DEOSSOPVSA-N 458.603 0.295 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1781295665 ZGXZQZSQTFKSNA-VFNWGFHPSA-N 453.540 0.344 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1781379497 DLXOYZZFOGWXRS-IRLDBZIGSA-N 476.636 0.857 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1781400946 RVNRPNPSZSSAJD-YVHKJVDXSA-N 469.583 0.859 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1782015719 VZULTGIEBLCNAM-XGOBVKBUSA-N 451.479 0.498 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@@]3(C1)CN(C(=O)[C@@H](C)S)CCO3)C2 1782856280 PKLFWSSWOKAWBJ-LRAJWGHMSA-N 450.561 0.770 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783171466 WOBOZJZQGVZOGP-ULYRPOKDSA-N 452.552 0.810 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2F)[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567395 MVXNQNXCAHXUGP-XIGBFTOMSA-N 479.505 0.640 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1783644012 BZRSWEOVPQRHTI-VUEDXXQZSA-N 457.593 0.895 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1783772074 ZDKAYLCJQKJHJE-GCKMJXCFSA-N 463.539 0.533 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1)C(C)(C)S 1783778583 VHNISAHRNXVLAQ-ZHRRBRCNSA-N 498.650 0.258 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3Cc4ccccc4CN3C)[C@H]2C1 1785020708 LXEJEVXHRCACPK-XZMSPFFGSA-N 466.582 0.881 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2)NC(=O)OC(C)(C)C 1785306868 UZENFUPIGPQJET-IIBYNOLFSA-N 473.592 0.720 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785379763 DRPUFEANZXKKFN-XDHUDOTRSA-N 478.509 0.375 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1785424928 DQSXSBRXKGRZSA-AOMKIAJQSA-N 451.520 0.686 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1785606741 ADLHCQCGEVMPJS-UQBPGWFLSA-N 499.568 0.699 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785609010 JWQDMEDYFDMVOJ-WCJKSRRJSA-N 483.566 0.386 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789839839 NJMRCSRNCOCHIN-ZDSYJAEESA-N 466.538 0.947 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)[C@H]2C1 1789848512 MMOKUOLTEBRZDW-NXOAAHMSSA-N 451.520 0.446 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)c(Cl)c1 1790231502 YAVWPWCLVZNHRF-ZVZYQTTQSA-N 456.886 0.730 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)[C@H]2C1 1792308657 YNDARCPAJMMZAM-FHWLQOOXSA-N 476.574 0.459 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(=O)OCC)cc1)C2 1792490972 WMAJVUXGTISTBL-VYOQICBZSA-N 455.511 0.925 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792780676 NFNIGWNNSGLXJY-YSWKBACZSA-N 474.558 0.556 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1793360200 HVQLUDTVSKDNTR-GZXWBTJBSA-N 467.563 0.539 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cccnc2)c(O)n1 1793957572 JAUJLZOAXXABSI-OPMZPASUSA-N 479.537 0.934 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)c(C#N)c1 1797626264 SWBIVLFPWCSFSY-VPTLXERWSA-N 453.503 0.032 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)N2CCN(C)CC2)C3)c(C#N)c1 1799238689 SJFVCNQIUWVFFH-JWIQCUOBSA-N 469.586 0.335 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883902 AJGACNXFYBLKDL-NTNQKNOYSA-N 488.508 0.246 30 20 JCED CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800315048 OHFOJYANHFNGGN-GMQQQROESA-N 471.510 0.615 30 20 JCED C[C@H]1[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CCCN1C(=O)OC(C)(C)C 1800778504 FUMJDBKRHBNOMY-GHHWKCCRSA-N 463.531 0.700 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C 1800825367 MHRNQLWGPJAEBF-LQIVVWRTSA-N 481.590 0.928 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808820428 PWFSJAFQLYVIMT-HYBUGGRVSA-N 491.541 0.262 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1810445978 FPMARRDWQYMPBV-CUWPLCDZSA-N 492.584 0.978 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1812718041 YOWYNXCNZDDNRU-JTHBVZDNSA-N 451.527 0.559 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN)CC2 1819645918 NJZZFSURVZHNKE-GXTWGEPZSA-N 496.590 0.819 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1828580239 PDTXUXSYXJPGGH-CJFMBICVSA-N 494.552 0.769 30 20 JCED C#CCCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829378690 XSESRYDKNIDPAO-SQJMNOBHSA-N 469.586 0.918 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1829764760 UZHFGHXILFWZOZ-BNOLWBGWSA-N 460.556 0.489 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4cccc(F)c34)C2)C1 1829771082 DIRLNWWXNJKGFD-FUMRIQNTSA-N 471.489 0.630 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1831393733 OOINBSACYHZQQS-PMAPCBKXSA-N 467.563 0.784 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1831401798 GIQWKEPKWLIIPI-HOYKHHGWSA-N 457.527 0.497 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CNC(C)=O)CCO3)c(C#N)c1 1831694007 FVODSXBRYBVSBU-VWLOTQADSA-N 486.569 0.728 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833033342 YLYRHTFQCPLSSZ-JOCHJYFZSA-N 479.555 0.444 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnnn4C)C3)C2)c(O)n1 1833696302 AIHHSEXZIWULMM-QFIPXVFZSA-N 456.503 0.418 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834716180 KMNOEKUAYMHZNH-KRWDZBQOSA-N 463.627 0.547 30 20 JCED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(=O)OC(C)(C)C 1835210412 CDISUSMKDLEPBX-NHMXVPMISA-N 481.594 0.781 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCN(C)CC1)CCO2 1835399962 FWZDMLGGHDLYMH-HSZRJFAPSA-N 452.596 0.063 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1835678021 UXTWCFIGWCOGDM-QHCPKHFHSA-N 454.531 0.915 30 20 JCED NC(=O)c1nccnc1C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1836050359 MTHFDYCPOHLWJZ-AFUMVMLFSA-N 467.530 0.473 30 20 JCED C[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1836559789 FJOVSPDBXFYBGD-LBPRGKRZSA-N 455.606 0.342 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836651394 WBUHIMDSCXWETK-FZUFRQSMSA-N 456.543 0.918 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1836867286 LKVWQSJZTRMHME-IBGZPJMESA-N 464.607 0.740 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)C1=O 1837136202 FAOLCLOQGMNYIV-AREMUKBSSA-N 473.485 0.943 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446947 SCWLWJGUCJXPKR-RXDMZFIASA-N 487.557 0.685 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1837532755 GCPGZDLEHJGDAS-AJXVFOQNSA-N 453.536 0.523 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c4ccc(OC)nc34)CCO2)C1 1838486103 JYRSTIZQDDWMBQ-QMHKHESXSA-N 456.499 0.680 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)c1 1838579665 XOHNZIBFJAIQBO-RUZDIDTESA-N 493.520 0.462 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c(OC)c1)CCO2 1838974681 XFSTZDIUUSLOMC-QHCPKHFHSA-N 462.499 0.980 30 20 JCED CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)C1 1839068862 LQVMDOMAIUIPTI-GBXCKJPGSA-N 456.543 0.735 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)N1CCN(C)CC1 1839100560 CPLCEFOQUHCUDT-RLWLMLJZSA-N 483.613 0.583 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1839175110 POGGROINYMPQKI-DENIHFKCSA-N 454.520 0.540 30 20 JCED Cc1nccn1CC(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187868 CDQGYXYWGAYSKJ-QHCPKHFHSA-N 455.490 0.901 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2)c1ccc(O)cc1 1839216509 YCYAKTABBPMIOK-QTISVLPJSA-N 483.565 0.966 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1839223072 LCIOORWYWJJYDN-IIBYNOLFSA-N 451.524 0.993 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361312 BSAMHGWNDDUGGV-DEOSSOPVSA-N 456.543 0.985 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839667793 JCPVREWVZINBEU-AVRWGWEMSA-N 477.521 0.842 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(OC)cc4C#N)C3)C2)CC1 1839898381 WUZLFKLYMHTCQD-HSZRJFAPSA-N 471.510 0.519 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(C(F)(F)F)c1 1840043524 DGEXOCVKSSRPMC-FQEVSTJZSA-N 465.384 0.735 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1840108393 WVNKVJIQBAFZMA-IXFSTUDKSA-N 492.577 0.765 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840274351 CYFGNYMXRUGCBD-WCIUPCNNSA-N 453.536 0.523 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncnn4C)C3)C2)cc1C#N 1840762665 IQGQJYFWGRJADK-HSZRJFAPSA-N 468.514 0.858 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820905 PNSFATIIJVOMHV-RDPSFJRHSA-N 472.542 0.698 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1840908730 OYMAXQJIOHQTEM-IEGUWTFLSA-N 490.561 0.212 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1841599294 MKAHUKLRKSTKHA-DLBZAZTESA-N 478.594 0.385 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CCOCCOCCOCCOC)C2 1844238288 SVDHCJNKMOFTQJ-LJQANCHMSA-N 456.580 0.849 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195947 UFEOQSYFOKAPOP-INIZCTEOSA-N 487.509 0.825 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1C(=O)C=CC1=O 1847942477 OHDUXRVWRINQEK-ULQDDVLXSA-N 460.531 0.973 30 20 JCED CCCCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O 24745982 UQCSIARKXXRTHM-UHFFFAOYSA-N 476.559 0.854 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 493303727 RYAAGBONSXXLDJ-UHFFFAOYSA-N 478.552 0.174 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCCC(=O)OC 501768879 DZXOHEOENHJLBI-UHFFFAOYSA-N 456.480 0.576 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C1CCN(C)CC1 516827897 XIOVRRYIZADUGA-UHFFFAOYSA-N 459.553 0.951 30 20 JCED N#Cc1ccc(N2CCN(C(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 520058023 KRYYCJATHXTOAK-UHFFFAOYSA-N 459.488 0.672 30 20 JCED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(N)=O 589157257 RHKWFCRAHNLZFI-UHFFFAOYSA-N 461.565 0.307 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(S(C)(=O)=O)cc3)c2=O)cc1 604118920 XAZAIOBIVXIWCL-UHFFFAOYSA-N 483.571 0.950 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCNS(C)(=O)=O 608912733 YFULUNLDFWUQOR-UHFFFAOYSA-N 468.988 0.140 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)C1=O 623206662 SRHMLFKBYNNJTQ-UHFFFAOYSA-N 484.900 0.511 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)CC1 728532230 PPSMXWDFWIKHRZ-UHFFFAOYSA-N 479.497 0.888 30 20 JCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1 731127110 UHKVPXIJKRANEM-CALCHBBNSA-N 464.544 0.135 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3)c(=O)n2CCOC)CC1 916199636 JOMOUJMBXNEMQK-UHFFFAOYSA-N 456.568 0.232 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N=c2cc[nH]n2Cc2ccc(C(C)C)cc2)c1=O 917194035 AYIANEYAIHMHAJ-UHFFFAOYSA-N 464.526 0.973 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CCN2CCCS2(=O)=O)CC1 919436940 MZQRSNUDGUBLBU-UHFFFAOYSA-N 477.499 0.424 30 20 JCED CO[C@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CCOC1 1554711341 PHQQZCLUOSFFJZ-QFIPXVFZSA-N 454.535 0.815 30 20 JCED C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1596858543 XFWKJFGAQDRQOP-OAHLLOKOSA-N 486.527 0.987 30 20 JCED Cc1c(Br)cc(C#N)c(=O)n1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1656440313 SVMVWIFWHUMHHW-CQSZACIVSA-N 457.350 0.122 30 20 JCED CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCN(C)CC1 1712752913 MOPXDYIJQSGEAR-LSDHHAIUSA-N 457.626 0.444 30 20 JCED COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1729779823 YLKCPCVOXHOTRL-INIZCTEOSA-N 462.532 0.619 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(CO)c1 1741939731 CFCXQRCWJNHBFA-BEFAXECRSA-N 459.576 0.605 30 20 JCED CCCNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1745784393 JMHAJNIEMFLIKB-MRXNPFEDSA-N 467.596 0.657 30 20 JCED CCS(=O)(=O)NCCn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1747445166 UBRJNWQESLOKFE-UHFFFAOYSA-N 463.612 0.656 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1770345978 UGXCWCSWFUYRDS-UHFFFAOYSA-N 473.559 0.147 30 20 JCED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1770940826 OTFLVQXMITZKPB-GOSISDBHSA-N 461.544 0.608 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)ccc21 1777866080 LVXWIQFNQOMSFR-DEOSSOPVSA-N 468.558 0.602 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778277716 YZLWCGDRVTXONI-NVQXNPDNSA-N 483.613 0.999 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1778738186 JBCJETUZMYYVNA-MNFWLRKXSA-N 493.557 0.206 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2Cc3ccccc3C2=O)C1 1778798382 ZSMZGGMNAAXONK-NTKDMRAZSA-N 453.495 0.634 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)CCO2)C1 1778973415 RLLPREWBNJMOSZ-DVECYGJZSA-N 456.543 0.894 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1)c1ccc(O)cc1 1779094416 FWWLHNMHSAQWEB-GRYUFTJMSA-N 471.554 0.370 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1779286843 AUCGZZNSHYZOIV-SAHWJRBASA-N 462.547 0.424 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCOCCOCCOCCOC)C1 1780797644 KCINROFGQUIUCU-SGIRGMQISA-N 498.617 0.625 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781353316 KESPHTXKQUQFHP-HKARXFIJSA-N 469.579 0.665 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1782674836 GYHQOSIYIIUJLF-JOCHJYFZSA-N 453.455 0.585 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782871504 JHUGIMDIWQZESN-GLDPYIMESA-N 490.626 0.765 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(N)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1783157366 AQAAFNGARFPLBK-KSFYIVLOSA-N 450.536 0.647 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1783181195 GPJSFFKJTLPSPD-WLENULPWSA-N 464.563 0.907 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1783466588 VSDHFUHRJDQHMP-DXTNQGSYSA-N 488.585 0.788 30 20 JCED COc1ccc(OC)c(C(=O)CCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783567711 WTOFUEDSAJJNDQ-HSZRJFAPSA-N 458.467 0.585 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC(C)=O)[C@H]2C1 1783584051 UOLQBWJEGZGDIW-OMZCGLGVSA-N 478.590 0.797 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1784444827 FFBDUEVZPUXPRO-KNTRFNDTSA-N 462.572 0.674 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1784506292 LOIPISZKHLXRMG-SPOLIRPYSA-N 469.579 0.833 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cccc([C@@H](C)C#N)c4)C3)C2)CC1 1785079272 NKGFUQGWLFXAQP-UQBPGWFLSA-N 467.570 0.921 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)CC1 1785631411 SIADZFHWLLLOBM-JOCHJYFZSA-N 478.550 0.025 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1 1788093031 OQUSMCLRFVNFHO-SXYSDOLCSA-N 475.586 0.997 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(O)cc(O)cc3O)C[C@@H]21 1788661001 UAVYZLXMYDINDP-CKWQZJDESA-N 463.487 0.926 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676468 AMKPWIPGDFIWJP-IJKOJPKGSA-N 492.573 0.954 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nccnc4C(N)=O)C[C@@H]32)ccc1F 1789907419 UTWDDIVKXRBTFD-ZVZYQTTQSA-N 466.473 0.422 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)[C@H]2C1 1789913460 FLAWRLOVVIZJMM-DQIRUUEWSA-N 479.574 0.688 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)ccc1Br 1790197515 OAUKSFWISJLKDI-IKICRFKJSA-N 492.374 0.507 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792139110 PDOGCRINKPXWNB-FJIDUMEYSA-N 464.563 0.936 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 1792261203 BUBQLJVHPINCRS-GNBUJSLZSA-N 486.569 0.895 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Br)nc1)C2 1792489664 FSTHPXLFWNFTJJ-PFIYSYJPSA-N 477.359 0.835 30 20 JCED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1792633458 XVSMJZJGAQVZFP-CCWDJLKJSA-N 498.565 0.417 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1793354681 JORUINMFCHCXNJ-AYMMHLMVSA-N 471.558 0.202 30 20 JCED COc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cc1F 1794364358 NUJVWZFYMFRUTQ-LGNMFEQTSA-N 450.467 0.962 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)CC1 1795603035 VAPVZMKSBAXVQI-BJWYYQGGSA-N 463.579 0.915 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)c(C#N)c1 1795929765 FNNTWMNKASSKAX-VPTLXERWSA-N 499.549 0.164 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)cn1 1796076814 QCSQFHMIHWSGOP-HATOLVCRSA-N 489.594 0.528 30 20 JCED COc1nccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)c1F 1797811087 HAXHJMUXVLXRAS-LXLUIISFSA-N 450.467 0.962 30 20 JCED Cc1nc2ncccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797811595 CDTLNTCFAFPVQA-ONHWRRACSA-N 456.503 0.770 30 20 JCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cn2[nH]cnc(=O)c12 1797815109 IVDHAAMFNGNISI-MBTMXKSLSA-N 472.502 0.063 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799641969 WXXJKQJIIKNEGQ-YRPNKDGESA-N 472.542 0.841 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccc(O)nn2)C3)c(Cl)c1 1799752064 CKATYLVNAVDPQS-VTEUUUEMSA-N 457.874 0.989 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O 1800534463 CIWWUDLENGLAAT-FLNBYBTLSA-N 478.590 0.797 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778914 VZEVNNMTLJJGMF-WFNPHZEWSA-N 463.531 0.748 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2)c1ccc(O)cc1 1801051717 OASCGJWHNZDRRT-URORMGJRSA-N 468.510 0.077 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2)c1ccc(O)cc1 1801056208 NKPDRCPGNQOLPU-PCIFRVRHSA-N 471.554 0.129 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801991745 LTVBBQICKDSKGK-WOUAJJJCSA-N 474.514 0.370 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1807147381 IYGMGTZSACJWJF-SLFFLAALSA-N 458.563 0.020 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)C#CC(=O)O)CC4)ccc21 1818358301 WPIAWEINCGAUIN-GFCCVEGCSA-N 453.480 0.647 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cn3c(nc2=O)SCC3)n[nH]1 1820693038 XKQZBCJHKRSDCH-AWEZNQCLSA-N 456.484 0.395 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1823385319 BNTPNDJKXWQBAO-MRXNPFEDSA-N 465.470 0.904 30 20 JCED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1825252450 FZAGKPPIDLCRCZ-QMMMGPOBSA-N 450.431 0.706 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1825665348 HIOZAFYUTTZMOG-LBPRGKRZSA-N 451.464 0.936 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1829267473 QEUHQGLFUURXIM-DVECYGJZSA-N 452.511 0.598 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCN2C(=O)OCc1ccccc1 1829391334 JEXJIYHAZQOWJT-MBSDFSHPSA-N 450.499 0.924 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3)C2)C1 1829765425 WHZLXJQVWLDGDY-XXXZYALBSA-N 457.527 0.553 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1829766294 QDBIHTAOBWSPNB-UZQCKINESA-N 457.483 0.344 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n1 1829903161 KQFKMOVYFPJINY-XMMPIXPASA-N 467.526 0.714 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1831390884 ABHDLOSAOJGOFV-FDDCHVKYSA-N 478.567 0.127 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)SCC(=O)N4)C2)C1 1831394154 XRFACZKDYIFAEO-HJPURHCSSA-N 473.551 0.839 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1831412052 BKYOVTSDLUDKRR-AVRDEDQJSA-N 471.551 0.269 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc(Cl)n1)CCO2 1833174440 ZOJCGDGWDGMPFZ-DYRFGFBLSA-N 462.934 0.592 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1833314706 ITGKIJZZRUEKDY-XMMPIXPASA-N 479.493 0.445 30 20 JCED Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1F 1833705333 DHXYIDGLNIJIFP-IIHIVLJSSA-N 450.515 0.409 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccccc3=O)CC2)CC1 1834822826 VHPYTPGOFJGYAU-UHFFFAOYSA-N 458.559 0.929 30 20 JCED Cn1ncc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)ccc21 1835677759 WOTMPQDEXJXJQH-XMMPIXPASA-N 468.558 0.925 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)c21 1835677925 QVKBOVZKWLLBTI-XMMPIXPASA-N 484.557 0.631 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4cc5n(n4)CCCNC5=O)CC3)CC2)c1 1836169330 LSXPOEWWYKTYRV-UHFFFAOYSA-N 478.557 0.715 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccoc1I)CCO2 1836262873 UFIFFFZNLYUWNH-INIZCTEOSA-N 459.240 0.868 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CCC(C(=O)OC)(CC1)CC3)CCO2 1836705945 FEQPBTRRBHBFJY-AMXYLDMISA-N 476.570 0.995 30 20 JCED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)ccc1F 1837116640 LRVFAXBCJPQADD-HXUWFJFHSA-N 485.516 0.837 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CSCc3[nH]cnc3C)CCO2)C1 1837331463 VIANNPSNWBJOOX-QFIPXVFZSA-N 480.587 0.917 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493417 DMLYOBWUSPMPBQ-DEOSSOPVSA-N 479.574 0.666 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1837529382 SFTFNWIANQEMIS-COQMUBBDSA-N 471.514 0.933 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)Nc4cccnc4)CCO3)C2)c1 1837632505 PYUUTEBRPJTKST-QHCPKHFHSA-N 467.457 0.801 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839106625 RMQTWFWVUXZULI-WIYYLYMNSA-N 454.637 0.177 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1839130880 ZFJABEJTQXXJOV-HXOBKFHXSA-N 490.561 0.572 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1839173159 CGAHVGAQUKAIDF-DFBJGRDBSA-N 491.585 0.743 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488164 BMQAUHAUUIKDKU-CMJOXMDJSA-N 466.498 0.195 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1839881943 OPUVAKMYQKQNRH-YJLYGGOZSA-N 496.605 0.827 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1)NC(=O)OC(C)(C)C 1839886788 HKIGYGXVGLCUDR-CYFREDJKSA-N 496.605 0.829 30 20 JCED COc1ccc(Br)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043698 PBDHNOVIQCYOEF-FQEVSTJZSA-N 481.299 0.616 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)cc1 1840201101 DXEVLIJGUHQOMA-HXUWFJFHSA-N 468.432 0.236 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1840293849 YLUPKTDDGGXNTM-KNQAVFIVSA-N 452.504 0.131 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C(=O)OCC)CC3)CCO2)C1 1840816855 TWIGBAPHRMHPCS-WZONZLPQSA-N 465.547 0.350 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840857225 NFOJOEGDVLTGFU-GBXCKJPGSA-N 472.517 0.633 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1840907473 WNGLXVJHQITQGA-AXHZCLLHSA-N 479.574 0.929 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1840909594 WWIYAMVORIQWCY-STSQHVNTSA-N 490.561 0.212 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1840913128 YSCBZIWOIWJKFW-KBJGYGKASA-N 477.518 0.609 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)C2 1841055215 GZNNNIBZQVZYGF-FMHWZFOUSA-N 474.558 0.827 30 20 JCED Cc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1S(=O)(=O)N1CCOCC1 497893539 SMYDTJFGRIENIF-UHFFFAOYSA-N 450.561 0.704 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 505658936 PQTFEMGXQCNVJA-UHFFFAOYSA-N 450.542 0.693 30 20 JCED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C1CC1 511084971 GHVJRNJFZQAPLM-INIZCTEOSA-N 453.520 0.814 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CC(C)C 514524296 MZMVCBDBLTUXEM-UHFFFAOYSA-N 475.567 0.857 30 20 JCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)cn2)c1 604146017 LDBZJESRWZBXCL-UHFFFAOYSA-N 476.493 0.977 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(Cl)c2Cl)c1=O 604270163 QJSHBYNYBILXIB-UHFFFAOYSA-N 495.388 0.667 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 608828488 XMQHZQGVUPUNDT-UHFFFAOYSA-N 490.541 0.368 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1=O 726042018 BSGILJOGHBQCTR-UHFFFAOYSA-N 459.383 0.141 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)ccc1F 726544199 UCGJPVSBPCJOFS-UHFFFAOYSA-N 476.534 0.549 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnnn2-c2ccccc2)cc1 730681487 JQNAMVXEANMIFM-BWAHOGKJSA-N 482.526 0.730 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)NCC(=O)O)cc3)CC2)cc1 748859714 OGSJPXWUSPTKTL-UHFFFAOYSA-N 492.535 0.068 30 20 JCED CCc1ccccc1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 839356349 VEUDCYWICSUSBP-UHFFFAOYSA-N 492.605 0.146 30 20 JCED COc1ccc(C(=O)NS(=O)(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 916808796 OPEDUWCXKPCEPT-UHFFFAOYSA-N 465.509 0.706 30 20 JCED CCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918462267 DXZWGZOIEFCPLJ-NKFKGCMQSA-N 463.560 0.909 30 20 JCED C[C@H](C(=O)N(C)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)n1cccn1 920547898 KBBUOCMRBSMQCA-MRXNPFEDSA-N 495.496 0.914 30 20 JCED CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1211536287 MSDFBUFCUCGRMK-UHFFFAOYSA-N 452.562 0.409 30 20 JCED CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCOCC1 1302599615 ADBACSHOJMKTMQ-RDJZCZTQSA-N 483.664 0.977 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(=O)N(C)C)c1 1303867605 QYXKDTVEFATNGV-WMLDXEAASA-N 461.548 0.367 30 20 JCED CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1314893492 RREYWHHEELIYIW-UHFFFAOYSA-N 476.559 0.458 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)CCO1 1517539140 NKXWMGQQJJTAOG-IBGZPJMESA-N 450.503 0.659 30 20 JCED CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1541247125 NEOWHSFCEHHKIF-UHFFFAOYSA-N 497.600 0.871 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CCO1 1596634207 QEAYOXDXKKIXMD-UWJYYQICSA-N 453.547 0.879 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1698061932 YRRRUSPDWIVEJM-SFHVURJKSA-N 464.548 0.731 30 20 JCED CS(=O)(=O)c1ccc(OCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1698301362 VLTXDHKNTNASBO-QGZVFWFLSA-N 474.543 0.725 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1728684902 YNLXGRPXNIZSQY-HNNXBMFYSA-N 467.502 0.716 30 20 JCED CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1750203199 XGAXJBFVKWEKRA-GOSISDBHSA-N 460.560 0.684 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCC(=O)NC1CC1 1761498597 HGLCRCNMNHQEOZ-PBHICJAKSA-N 464.596 0.124 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)ccc1F)C2 1779555866 LCIPQCWAUOJXHR-MIZPHKNDSA-N 460.506 0.976 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779922873 RZDIHAVTOOMKET-OPAMFIHVSA-N 459.503 0.542 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781861081 NFNMJBPWQFFQRN-KKSFZXQISA-N 455.508 0.169 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2)c1ccc(O)cc1 1782257415 UJANADXPDOAUQV-MFSJNOQSSA-N 455.559 0.886 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C1)C2 1782853176 QUMCIVPLPIBRMC-BXKMTCNYSA-N 480.525 0.966 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1)c1cccs1 1782956184 GLNAUKVFPIOCHT-YWMZBHJASA-N 452.554 0.894 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)C2)C1 1783020686 XZQHNSNRJJBPKS-MBSDFSHPSA-N 462.568 0.891 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)COc3ccccc3C#N)C2)c(=O)nc1O 1783138344 MOAAXBGTOVRGQP-CJFMBICVSA-N 495.536 0.722 30 20 JCED CCN1CCN(c2ccc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cc2)CC1 1783568308 SEHCPAJZXSTHFU-XMMPIXPASA-N 454.527 0.360 30 20 JCED COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1784263089 CGIDVTUIKYVTOL-QVKFZJNVSA-N 488.607 0.774 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)OC)[C@H]2C1 1784513503 GNGMARMKFHJXLM-FJIDUMEYSA-N 497.614 0.789 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1785574509 LNRIQLGNLKLIBK-VGSWGCGISA-N 453.536 0.396 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NNC(=O)C4)C[C@@H]32)c(C(F)(F)F)n1 1787199168 FVSDXMROBWGOPV-XEGUGMAKSA-N 464.404 0.441 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788629802 BTHFZRKHKJGLOL-VJANTYMQSA-N 454.589 0.345 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)N3CCCC3)C[C@@H]21 1788653233 YJPPQOQQJUGDON-XQZIYFSMSA-N 464.563 0.898 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cnnn4)C[C@@H]32)cc(C(F)(F)F)c1 1790256101 DWCZXRKSIYZMDK-JQFCIGGWSA-N 463.420 0.857 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21)n1cnnn1 1791686057 PHJBPJLUCVBOMC-KNPMLCFXSA-N 478.435 0.813 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1792895278 MPJJZZHSESNECP-BTWXHTNGSA-N 469.560 0.375 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1793347020 VJRBPTUWWKERDT-YDGKCNFYSA-N 451.479 0.358 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083180 DIHYGGZQMQITLB-CSHUHZATSA-N 458.519 0.747 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795441028 AQPHJJZHWNYLOK-IIZPIQPGSA-N 492.617 0.605 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2[nH]nc(Br)c2c1 1797552777 ASPINRUMIROHEF-DPIQGUFMSA-N 461.272 0.617 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 1797740391 GJPBSPMLQGVNSI-PQHUWJQRSA-N 459.591 0.839 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1799235646 BSDUNPBKFWCSMY-RCLSDMTESA-N 488.589 0.955 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)CNC(C)=O)C3)c(C#N)c1 1799237897 OAESSDHKIOMYPV-HATOLVCRSA-N 456.543 0.861 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1799389491 NDEFVTCQXWKQIH-AVEIZBFRSA-N 470.567 0.653 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NC(=O)c2ccccn2)c1 1800203818 UESKCBJUCHZZEP-XCRNZQRYSA-N 477.521 0.984 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C 1800461271 PCKOSOLLYNQGPV-WSCKVLTOSA-N 480.562 0.958 30 20 JCED CCSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777217 KXHHVYLLJVPFIS-YYAJDYIMSA-N 483.587 0.701 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOCC2)C3)cc1C#N 1801849137 ZMWBPYBWOOGARM-JHDGKUDLSA-N 456.543 0.881 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2)NC(=O)OC(C)(C)C 1801932118 QVUINYPCLPJINY-ZIKOTGLESA-N 478.590 0.962 30 20 JCED NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1807049321 ZPROYAVXBDTLID-IPJJNNNSSA-N 455.559 0.379 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1808452951 WANHHPUXNXGEPC-VQIMIIECSA-N 460.487 0.140 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CC[C@H](N)C(N)=O)C2)CC1 1809826356 STXAIHGTACOQBV-ZWKOTPCHSA-N 477.606 0.727 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)ccc1F 1822961975 PXEMXALVSJRPIH-DZGCQCFKSA-N 458.519 0.901 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCN2C(=O)OCc1ccccc1 1828628109 SQCPEPCSYWQTGK-VWLOTQADSA-N 495.536 0.404 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCN2C(=O)OCc1ccccc1 1829177238 YXBKMVLNKSBPRO-QHCPKHFHSA-N 464.482 0.749 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCN(C)CC4)cc3)CCO2)C1 1829696864 LFNWRWPJRXLGAJ-MBSDFSHPSA-N 462.616 0.827 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCSCC2)CCO3)cc1 1829704972 UMODUDVQFJIGBU-QHCPKHFHSA-N 458.584 0.606 30 20 JCED CN1CCC(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1830006370 UWMQOSHSZCQZNY-VWLOTQADSA-N 461.603 0.873 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1830778069 LQVVXTUYOVQYME-CYFREDJKSA-N 489.594 0.532 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830882437 SZARDBJZXCCHTE-JTSKRJEESA-N 487.619 0.638 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831432604 BZNLFTWWHAGZMP-VWKIKIOWSA-N 469.538 0.944 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1832000493 QTPWMRRNPPVYNM-OPAMFIHVSA-N 468.551 0.178 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)CCO2 1832009751 TXUVONNWKYSXHT-GSRZOBFVSA-N 466.575 0.995 30 20 JCED C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)C(F)(F)F 1832149904 RPEXAASGCNSGRO-UXHICEINSA-N 455.433 0.870 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)n(C)c1=O 1832782380 ZXXZSLLNDBUIFX-SFHVURJKSA-N 495.584 0.747 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(C)nc1)CCO2 1832900172 XPFFFFSSEFCVOV-QZOBCFMQSA-N 456.543 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnn4ccncc34)CC2)CC1 1833075157 XLZMQBZYAHDLBI-ARJAWSKDSA-N 465.558 0.773 30 20 JCED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)cc1O 1833401289 MESJMJNFAWHJHR-HSZRJFAPSA-N 453.499 0.700 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1833475932 NIICSCAVUJRBBF-HNNXBMFYSA-N 457.535 0.194 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)nc1 1833599808 SNTCLNCQLSLWPT-HSZRJFAPSA-N 484.534 0.741 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)n(C(C)C)n1)CCO2 1833608639 NKHLYSSXUIFKLC-QHCPKHFHSA-N 492.529 0.742 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c(O)n1 1833699322 XYJLNHUHMRYIFN-JOCHJYFZSA-N 486.485 0.921 30 20 JCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833833143 IFMJQUSFSGIPOG-INIZCTEOSA-N 455.559 0.978 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccoc3I)C2)C1 1834757977 CZMYDLGIUPDIRD-MRXNPFEDSA-N 459.240 0.868 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc3c(c1)OCO3)CCO2 1835177560 CPQIVYYMZLHIQQ-YZRXDEHNSA-N 485.537 0.663 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338588 MRBHOZUFXZUICA-KSFYIVLOSA-N 466.535 0.022 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cc([N+](=O)[O-])c1OC 1835361224 GUEPKLQFYJMVHL-NRFANRHFSA-N 462.459 0.986 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835849854 LMNILOSQHCGTAF-NYHFZMIOSA-N 479.534 0.655 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1836470260 NCTPQVORUQCEAH-XKUSAJHISA-N 490.513 0.452 30 20 JCED C[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1 1836559734 AMDIFWSSJYCLRN-PBHICJAKSA-N 458.625 0.762 30 20 JCED Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)cnn2c1 1836947408 LYJFDKVVCNUPBX-SKZKPWFZSA-N 469.546 0.579 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)CC2)CC1 1837032379 SNAFHYLJRMSTJE-UHFFFAOYSA-N 452.357 0.428 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4ccsc4n3)CCO2)C1 1837048143 LBJQKOAKVDGATC-NRFANRHFSA-N 460.560 0.748 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)cc1 1837254971 YUNJZWZTLWMTBW-WEHRJKGCSA-N 452.511 0.657 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837403320 KFLYHFUPGYYIGH-OPAMFIHVSA-N 461.494 0.512 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837491461 NNWBLXRWVRZPSX-XMMPIXPASA-N 456.543 0.598 30 20 JCED Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527332 LMXGMWVYHLESGX-XMPRZIBXSA-N 467.548 0.633 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1837608085 TZZIMMZUIUVHBJ-GLDPYIMESA-N 471.558 0.820 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837646712 AUAZVYSMZITVNJ-SBUREZEXSA-N 470.505 0.624 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837659163 SHZOQENNGFERSE-DEOSSOPVSA-N 458.559 0.937 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837838111 UDZBFSAXJWQUPC-FQEVSTJZSA-N 452.895 0.709 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)cc2NC1=O 1838588207 OYBMIRKBCSDUSL-SVDRVRPESA-N 499.568 0.948 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1Cl 1838598102 NLODSKVHIVLTKG-UTKZUKDTSA-N 481.958 0.859 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)nc2)CCO3)c(C#N)c1 1838651254 MMBRYHLFJARUCC-DEOSSOPVSA-N 466.494 0.980 30 20 JCED COCCOCCOCCOCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)S)CC2)CC1 1838778826 YPCNFRNMYYOSOW-GOSISDBHSA-N 476.636 1.000 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)c(C#N)c1 1839131953 KCVTUAQDFNFJOS-RUZDIDTESA-N 486.569 0.288 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839240710 QDJLGLVGBKTLOX-DEOSSOPVSA-N 458.559 0.724 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(I)c1)CCO2 1839268174 AAPLNLUXTAPHJK-IBGZPJMESA-N 498.273 0.449 30 20 JCED CN(C)c1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)o1 1839487668 RWTVBRBKRPWNIT-QHCPKHFHSA-N 479.497 0.872 30 20 JCED C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)CCCN1 1839489371 YWOQAIFLLHZIGP-PKTZIBPZSA-N 452.515 0.647 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C1)CCC2 1839583070 YMLKCLOQTGGOCP-NHMXVPMISA-N 458.563 0.451 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839637130 XUWLIKYQHDBEDM-KCWPFWIISA-N 494.592 0.908 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652714 RTJDTJGWBAKVHC-DEOSSOPVSA-N 481.509 0.522 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(OC)cc4C#N)C3)C2)CC1 1839761991 OADZSYGXZOVHPN-XMMPIXPASA-N 485.537 0.909 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839872803 MCQXMQYMEOGJKY-NXMSCROESA-N 494.589 0.438 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839887173 YMOBCDCYNWKGGH-FOIQADDNSA-N 477.505 0.540 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1)C(F)(F)F 1839893205 RQBSOFGPESHUEE-OAQYLSRUSA-N 482.459 0.915 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)[C@H]2C1 1840011311 SWXGGVXOGPSVMR-LFALDJFMSA-N 492.573 0.628 30 20 JCED CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840045027 MWIUYQKIMSOEFE-YOHDVBOVSA-N 493.557 0.614 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1)C(C)(C)S 1840110961 OEILSWRSGDUFGZ-SPLOXXLWSA-N 498.606 0.476 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840156225 KQMOCCXWJVTXQO-QNFHRHJVSA-N 487.619 0.379 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840782968 RTVDAZGLHAAYPG-QHCPKHFHSA-N 462.522 0.670 30 20 JCED CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1840928588 KBYQHGVJDNFSBB-XQDKNNEISA-N 466.579 0.704 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)N(C(=O)OC(C)(C)C)C1 1843010211 SOXCUIMMLGKLEE-INIZCTEOSA-N 483.529 0.800 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 21134173 FGYXHEJOXWFHAA-UHFFFAOYSA-N 469.567 0.953 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cscn2)c1=O 497581281 VQYQUUNJWLVTOP-CQSZACIVSA-N 450.611 0.918 30 20 JCED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)[nH]c21 503733514 WJWKNUQINNTXKL-ZDUSSCGKSA-N 453.484 0.707 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 518047782 WICCLWBISCSDSB-GOSISDBHSA-N 457.508 0.914 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C1CCN(C)CC1 518714143 AVFWMTBYDHCHKC-OAHLLOKOSA-N 458.559 0.970 30 20 JCED Cn1c(=O)c2c(ncn2CCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n(C)c1=O 603594013 YVUJDVXCYWMJMM-UHFFFAOYSA-N 475.513 0.212 30 20 JCED N#Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@H](O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 608793618 LSUNVRGEKPETCZ-FPOVZHCZSA-N 499.549 0.935 30 20 JCED CNS(=O)(=O)c1cc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)ccc1C 609005736 USYYALJFPSKEEN-UHFFFAOYSA-N 456.528 0.894 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1=O 725776160 XQVKQJPRYXXVRF-UHFFFAOYSA-N 450.499 0.441 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CON=C(C)c1cnn(C)c1 725794206 PSYCQMYVNRSDGG-UHFFFAOYSA-N 451.505 0.829 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1 728572832 FPFAQBSUQKGGMQ-UHFFFAOYSA-N 479.603 0.031 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCS(C)(=O)=O 729671011 FYHOFWUHVOWJLB-UHFFFAOYSA-N 487.525 0.647 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN(C)S(=O)(=O)N(C)C 731143491 PTNJXIKFVFFBDB-HNNXBMFYSA-N 460.578 0.565 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)N3CCCC[C@@H]3C(N)=O)nnc12 749010785 SALNVUOVKOBANJ-MRXNPFEDSA-N 484.538 0.732 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN(C)C3=NS(=O)(=O)c4ccccc43)CC2)o1 915380732 AQIQONRXWSRIMM-UHFFFAOYSA-N 486.510 0.127 30 20 JCED C[C@@H](C(=O)N(C)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)n1cccn1 920547629 KBBUOCMRBSMQCA-INIZCTEOSA-N 495.496 0.914 30 20 JCED Cc1nn(C)c(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1304725427 WMWKSVRZTXVGNK-SFHVURJKSA-N 462.580 0.750 30 20 JCED CCN1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1313911458 JZAXTCHWOJZSRD-SQNIBIBYSA-N 467.596 0.214 30 20 JCED COC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315131914 ZRWHJDZYYJLEEW-HNNXBMFYSA-N 462.580 0.907 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCC1CC1 1360238236 XEHAKMSZSTZXEY-UHFFFAOYSA-N 451.535 0.536 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1463917228 WFYFXUMREJYFPD-INIZCTEOSA-N 451.549 0.930 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(OCC(N)=O)c2)CCOC1 1516226196 MEDOFYNENXZNDM-GCJKJVERSA-N 456.503 0.571 30 20 JCED COc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1OC 1518408094 YIRCKTPYWJGFRQ-DZGCQCFKSA-N 450.521 0.683 30 20 JCED CSC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519685245 UWQXFKDCKHFZOS-DLBZAZTESA-N 483.664 0.929 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1548327535 JIJMIMRRCTYKBH-APWZRJJASA-N 472.637 0.982 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H]4CN(C(=O)C(F)(F)F)C[C@H]4C3)CC2)o1 1617918173 LHBMLAWFKBOBEA-LSDHHAIUSA-N 454.453 0.846 30 20 JCED Cc1cccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1649557288 QJXSXEYWKVFPMJ-MSOLQXFVSA-N 458.544 0.647 30 20 JCED CC(C)(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1706115808 BYBRJCKANSGMSD-KRWDZBQOSA-N 462.580 0.860 30 20 JCED CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1711313779 XCWGXYZVXLITQT-MRXNPFEDSA-N 455.519 0.406 30 20 JCED CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1729667564 NWPDFPCAABFDAM-QGZVFWFLSA-N 475.575 0.583 30 20 JCED C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 1749246507 KZFXVTMIOJXQKU-FQEVSTJZSA-N 474.587 0.993 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)c1ccccc1 1750077530 WKLIZUNXRMTXRI-AEFFLSMTSA-N 496.615 0.681 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1752445733 GIQLPWFIRLWUGY-UUOWRZLLSA-N 483.573 0.479 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C3)CC1 1778911362 JTNAAEVFDFZCMF-JXHRLWIKSA-N 465.595 0.465 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1)c1ccccc1 1779185919 YENCGDHZQYLXLV-DHLKQENFSA-N 487.622 0.744 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1779873330 NJBPSSRSXNMFHR-QFIPXVFZSA-N 453.886 0.724 30 20 JCED Cn1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)C3)C2)n1 1781166770 ITKLLZOUETYKJB-HSZRJFAPSA-N 487.561 0.799 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1)C(C)(C)S 1783777723 KPQAWPILLNFECZ-XCLFUZPHSA-N 468.580 0.850 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)NC(=O)OC(C)(C)C 1783786053 PYNSJAWZJZQIKV-MWTRTKDXSA-N 478.546 0.967 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783983530 OYFBIXNZJZXMEJ-LJQANCHMSA-N 454.405 0.445 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cnn(C)c3)C2)C1 1784577786 KKRMRHVRSKGNIQ-WZONZLPQSA-N 459.547 0.709 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785217969 WZCGNWGDLUZNAT-QRFRQXIXSA-N 468.470 0.722 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1785383335 LQMADFOEILZKJS-HSZRJFAPSA-N 481.465 0.537 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cncnc3)[C@H]2C1 1785397937 TUEWBACBMMTSPC-HAGHYFMRSA-N 471.558 0.915 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785541422 UIRFPPJARARVRW-NZSPGFLPSA-N 470.573 0.206 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3CS(C)(=O)=O)[C@H]2C1 1785680168 LVNHIBXRXDBDIS-JMVFIXPQSA-N 465.572 0.811 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787493383 UGHMGNYSUBEPIW-KNUIWWCGSA-N 469.567 0.883 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788564671 IBVPIBCQYCGJHR-GBMNOEEQSA-N 453.540 0.203 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1792267848 KMCKLWLIGPCWKD-GMOHSKTFSA-N 493.605 0.028 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792271574 MODUWXAHGNSNJQ-VJANTYMQSA-N 496.605 0.718 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(F)(F)C(F)(F)C(=O)O)c2c1 1793730739 FXEVSCFQNFYHOS-GNXNZQSNSA-N 483.378 0.993 30 20 JCED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2)c1cccs1 1795929882 MYIPABPPXOLXGW-BPNQKZMOSA-N 490.563 0.542 30 20 JCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CNC2=O)C3)c(C(F)(F)F)n1 1796459570 WEXJJVYGMGSUCV-CLLJXQQHSA-N 464.404 0.776 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1797586068 LHGAHZPAGVGVTA-UOHMRFDXSA-N 485.419 0.240 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Nc1cnccn1 1797781061 OJKTUPNKOQYHTR-IPLXSBJHSA-N 486.573 0.783 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1797810951 DGHVRJHNRYFWAL-XDEBEIOISA-N 458.475 0.167 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2ccco2)C3)c1 1798576537 HOQNMRAMMQKPIR-UPHUGPLXSA-N 452.467 0.793 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(-c3cccnc3)c1)C2 1799302803 OOEVUVLGZCVERD-RMFSNUHRSA-N 453.499 0.980 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2 1799334476 GAHCAWPVPVNCPH-ADYITMSISA-N 486.569 0.973 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)nc2ccc(F)cn12 1799953148 RHOUMGPULBKWTM-IBRLJDPESA-N 455.490 0.843 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(I)c1)C2 1800778983 XSTDCYBKZKKUNW-FVCICTRLSA-N 468.247 0.582 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800781235 QOCGXGMHRQWWLW-KEWPSSGFSA-N 475.542 0.603 30 20 JCED C[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CCN(C(=O)OCc2ccccc2)C1 1800781239 RDQLQYWSHVWELS-YBWLXYFRSA-N 483.521 0.713 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2)c1ccc(O)cc1 1801051989 WYHRGOSBVKHXEC-XWQURZDVSA-N 455.511 0.931 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2)c1ccc(O)cc1 1801055909 SRBDIVAOIHOUJQ-SUYVIKNLSA-N 457.527 0.542 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](N)c1cccnc1)C2 1802127420 OXCWMRMHEOQSFL-BFUACXKISA-N 485.585 0.978 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1802139800 KIXCIAJFLLLLTI-DGPQGTHCSA-N 478.590 0.378 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1802232844 JUXNWPIGIKXGMS-RJRFQMQXSA-N 492.573 0.070 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1806852148 NJGRCFBIHZWOCB-QGZVFWFLSA-N 453.499 0.766 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1808439217 JMYFQINRBAWLFI-DNVCBOLYSA-N 480.485 0.037 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1808452047 NBJQAWFNNUCYRM-GCJKJVERSA-N 453.499 0.854 30 20 JCED Cn1c(=O)c(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nc2ccccc21 1809292299 WLOJAGVZQVQXII-KSFYIVLOSA-N 459.462 0.736 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c1 1810354249 NRUWMWIRTDFUKX-WPWBMXPQSA-N 479.537 0.932 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813172396 KVYMLAVSJSLWBM-DYESRHJHSA-N 452.515 0.294 30 20 JCED O=C(C#CC1CC1)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1815120675 DFIINQWKSWRXLM-RYQLBKOJSA-N 484.582 0.995 30 20 JCED NC(=O)[C@H](N)CCC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819899424 VOCATNOZVCGULW-PIWVMFDSSA-N 452.537 0.177 30 20 JCED COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC1(O)CCCCC1)CC2 1820190391 CBFKOOGYDWMRMU-DOTOQJQBSA-N 462.572 0.905 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cncn3)C2)C1 1828580355 QKXUEZOSRCSQLW-CJFMBICVSA-N 494.552 0.769 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3ccnn3)C2)C1 1828580951 XEWBTWUGZIFPIX-CPJSRVTESA-N 494.552 0.769 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CS(=O)(=O)CC)C2)C1 1829259988 BKNSPRLIGHYHGG-JOCHJYFZSA-N 461.540 0.506 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCN2C(=O)OCc1ccccc1 1829373319 UTMABSAJLHEGOD-AREMUKBSSA-N 492.532 0.777 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628618 QYDYYEFDQOZFNF-MHECFPHRSA-N 456.543 0.862 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)c(C)c3N)C2)C1 1829765483 XVXQZTDHXYLUIH-KSEXMQBYSA-N 460.506 0.645 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1O 1830248605 UFEJDVPBDPAFNH-ZBSBNIAOSA-N 491.541 0.929 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)C1 1830716110 UYUAQRDQGQLJDF-NKPWQKCKSA-N 481.546 0.561 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)CCO2)C1 1830737136 BHXMAIRCNSDWLE-BSRJHKFKSA-N 467.563 0.642 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1830836477 WBFJSELPTVXMGS-SIBVEZHUSA-N 499.564 0.649 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218749 DPGOBYBSVQUYKG-MBSDFSHPSA-N 465.547 0.132 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)C1 1831396942 MUTNJNDQDDVVHM-OJLQRUNKSA-N 471.510 0.514 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832298873 UJPQNIXTGYOMQT-NTKDMRAZSA-N 494.589 0.228 30 20 JCED COc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832862246 JSNSQCLVJNBMJI-XMMPIXPASA-N 473.574 0.761 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1834937142 UWLBVJQOWTYVMT-HTAPYJJXSA-N 454.568 0.474 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1835245425 SZGGMDRBHOPSBA-DVECYGJZSA-N 499.605 0.965 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1835677768 WXCCGWLCSXHQGW-XMMPIXPASA-N 493.605 0.592 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(OC)c1F)CCO2 1836232804 FJOVNWUOPJKTEO-XSAUMEDDSA-N 462.478 0.158 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837315814 NQOHYVNQAZUXSJ-SFHVURJKSA-N 452.426 0.531 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1837392593 FLANPJWJZCMOGY-AOUJKTHWSA-N 477.602 0.807 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)no1 1837549351 QYOPMMFHUHTKGD-QHCPKHFHSA-N 485.472 0.494 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837731000 KLMATARLXUQFNZ-NZRBFCARSA-N 479.555 0.095 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)c1 1838579190 DSYHNXDFZGQXOB-HSZRJFAPSA-N 451.483 0.670 30 20 JCED CO[C@H](C)[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)N(C)C(=O)OC(C)(C)C 1839094315 KYBJHYXATYYLAV-NRJQMVOHSA-N 468.551 0.627 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)N1CCN(C)CC1 1839103724 VQHGUSHJHUEUPS-IQGLISFBSA-N 495.584 0.140 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1839173271 HHKRFKUFGZHSMA-QFIPXVFZSA-N 453.536 0.259 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1 1839185390 YHJXXNBYZAHWMS-WZONZLPQSA-N 468.595 0.864 30 20 JCED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)cn1 1839362475 VTOLLXVGFAGLFJ-QHCPKHFHSA-N 451.483 0.935 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)ccc(OC)c3OC)CCO2)C1 1839374376 USCOPQFEGRBSIR-QMHKHESXSA-N 464.490 0.951 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1839874354 CGTUUZGWBFAPPA-RHGYRFJNSA-N 494.589 0.438 30 20 JCED CC(C)N(CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(=O)OC(C)(C)C 1840040511 PBUGMSCULVPATQ-JOCHJYFZSA-N 467.519 0.176 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Br)c3)C2)C1 1840042276 KITIQMCEVHYPJD-SFHVURJKSA-N 452.261 0.002 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc4[nH]ccc4c3)CCO2)C1 1840079925 FKNJKCXQGSAQLJ-KOSHJBKYSA-N 454.527 0.990 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCCOCCOCc1ccccc1)CCO2 1840082656 IUIAVHLAPKVNNF-XMMPIXPASA-N 460.527 0.326 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)C(C)C)C2)C1 1840107994 AHDKZBYYISSHAD-PMAPCBKXSA-N 469.579 0.929 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)NC(=O)OC(C)(C)C 1840112015 VPJVCNDDRAIKOI-PZPWOCDFSA-N 489.591 0.218 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1)NC(=O)OC(C)(C)C 1840322939 GFMNRNQNKVNRDI-GAJHUEQPSA-N 498.577 0.658 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840445984 XVLKMVRONCXYCL-FDDCHVKYSA-N 492.577 0.594 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2)C(=O)O 1840763275 SJNRPODWCHGQNZ-CYFREDJKSA-N 488.541 0.478 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n(-c2cccc(=O)n2C)n1 1840813750 SVLWHJRPPIAQCU-VWLOTQADSA-N 494.552 0.643 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1840906753 JIOAQHDGGFRXBC-KSFYIVLOSA-N 461.519 0.396 30 20 JCED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1846256968 PKSOFLSDICRALO-CPOKCXMASA-N 471.551 0.415 30 20 JCED Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1-c1ccc(O)nn1 24859848 AVSOKMNUGAHXNJ-UHFFFAOYSA-N 453.484 0.695 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)cc2)c1=O 523089534 LGQQIYXVLDSMGC-UHFFFAOYSA-N 491.013 0.551 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 603454403 MZMFITRFRWMQEV-UHFFFAOYSA-N 462.553 0.678 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(=O)N(C)C 604270487 SMPVIKSZUJPJAC-UHFFFAOYSA-N 494.573 0.914 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 604473386 MSKLMCCQNYAJGT-UHFFFAOYSA-N 459.513 0.229 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828583 CKOIORNQSFHHQQ-UHFFFAOYSA-N 496.614 0.943 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(N)=O 608911219 SLFHXVVXKFQRKB-UHFFFAOYSA-N 466.922 0.233 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 614168981 APCIUAWFWXHDRW-UHFFFAOYSA-N 456.524 0.653 30 20 JCED N#CCn1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cn1 747434408 UKONLVDLRYYLSX-UHFFFAOYSA-N 460.516 0.516 30 20 JCED N#CCc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 914665691 ZTSMXNDDOYFOEB-UHFFFAOYSA-N 456.480 0.669 30 20 JCED Cc1c(NC(=O)[C@H](C#N)C(=O)CN(C)S(=O)(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C 916958851 OEJSOHVNDTYAII-GOSISDBHSA-N 482.522 0.848 30 20 JCED C[C@@H](CC(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1138794940 JFQPFEXMPPDKNI-ZDUSSCGKSA-N 452.533 0.602 30 20 JCED Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c(=O)n1C1CC1 1189922103 OYXUVTWMHUIEFQ-UHFFFAOYSA-N 451.483 0.314 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1297779075 WDXLCSQEEWKPKZ-KRWDZBQOSA-N 461.592 0.913 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1298102463 YKCYVNKYTTXIGL-UHFFFAOYSA-N 467.559 0.825 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(C2CC2)C1 1301969353 WGMCMXKCSPWMMC-JFIYKMOQSA-N 451.597 0.691 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN1CCOCC1)[C@@H]1CCSC1 1468562619 XUTVPVXWGXREOH-SJLPKXTDSA-N 452.602 0.891 30 20 JCED CNS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1517633317 WFXUULKKJVPAIS-INIZCTEOSA-N 499.576 0.934 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CS(C)(=O)=O)CC1 1541803826 NCKNAOSIZHYFQJ-LSDHHAIUSA-N 474.609 0.174 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)N(C)C 1541942137 XWHMTNFQNDZYMX-HZPDHXFCSA-N 461.596 0.432 30 20 JCED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1547312094 RCCKSNVZRDXIGD-UHFFFAOYSA-N 450.547 0.696 30 20 JCED COc1cc(C#N)ccc1CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1642068173 OASAMOXRKJRYPA-UHFFFAOYSA-N 450.542 0.721 30 20 JCED CO[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1712101110 PCADEILBZFAVCP-QUCCMNQESA-N 490.586 0.862 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1729343778 RJGDJEDPCNHUIZ-UHFFFAOYSA-N 486.602 0.109 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1748298478 MBSQRZBROMHYAO-GOSISDBHSA-N 459.576 0.891 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C)N(C)C1CC1 1751230412 QFMKEKGLBQBEFF-RVKKMQEKSA-N 450.613 0.548 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1760695873 NRHVCZHGCKHBGH-JKSUJKDBSA-N 457.626 0.256 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(C4CCN(C(C)=O)CC4)CC3)C2)C1 1778321572 ZBDNTXBHLCRACS-RUZDIDTESA-N 458.603 0.953 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778908037 DNUQACMBCZZEAM-KKLQWCBXSA-N 450.580 0.256 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C3)c1 1780089146 NEQPJBIYVPKXMC-DNVFCKCGSA-N 457.531 0.287 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc5n(n4)CCNC5=O)CCO3)C2)c1Cl 1780191087 WNXXLJFVNWVKSN-QFIPXVFZSA-N 468.901 0.909 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)c1 1780333779 FBYZYGOZLCPAJW-OAQYLSRUSA-N 454.512 0.235 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780950605 WBOZPJUXDCZOHA-SLRCQPIXSA-N 456.503 0.631 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1781167419 CAGDXFHBUMVOMW-RHGYRFJNSA-N 493.605 0.106 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1781264044 OWTDGDYZLCKJAJ-UZUQRXQVSA-N 483.562 0.601 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781335973 CUGNPEJQEAJELD-DRSNIGMVSA-N 455.552 0.683 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)ccc1Br 1781906009 FXTYABZEAVXTMB-QRWLVFNGSA-N 461.316 0.900 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)N(C(=O)OC(C)(C)C)C1 1783930987 DXASCUXMWBLTGD-PKKBDPGCSA-N 495.573 0.998 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)n2cnnn2)CCO3)N(C(=O)OC(C)(C)C)C1 1784087890 CFMWGGBZOCNKGR-HYFFOGBASA-N 475.550 0.630 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1784445303 HHEMYIUWSWCRPF-CJCBUOBESA-N 466.535 0.618 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3COc4ccccc4O3)[C@H]2C1 1785035957 DKXDFHUBBKVCLY-OHUYTXCVSA-N 455.511 0.665 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1785577086 PGCWUGNORYGXTF-HRAATJIYSA-N 471.576 0.168 30 20 JCED CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)nc1 1785711512 VKBBOPMXCVJOME-VXKJNVKJSA-N 494.570 0.607 30 20 JCED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCC2)cc1 1786358303 YWNJXIJYRHQENB-MRXNPFEDSA-N 492.536 0.606 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cccnc3)[C@H]2C1 1787476934 MYTZFTWYFAPYBN-YFNVTMOMSA-N 499.612 0.848 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NNC(=O)C4)[C@H]3C2)c(C(F)(F)F)n1 1788553984 WUDRUKOTESYJJC-XEGUGMAKSA-N 464.404 0.441 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21 1788602189 MFANUKXYONZUMS-YHQVXBFFSA-N 453.547 0.883 30 20 JCED COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789957119 HBCIQMZGEFSQAM-FYQPLNBISA-N 457.568 0.837 30 20 JCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)C[C@@H]32)CCC1 1792138108 XKHWOKLCILGTJO-OAOQPFQOSA-N 455.515 0.666 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1793593326 GUVQDLSWJUZWLC-BASYENTBSA-N 489.529 0.847 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1793772734 AOAGPSQFDXDCME-LUDNOHBGSA-N 475.929 0.693 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2)C3)CC1 1797140792 KAAZPQPKTYAYQM-ACDBMABISA-N 460.556 0.433 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1797708290 PDOBZBNYJLHBHH-QSMSVPEVSA-N 481.590 0.519 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H]1CC[C@H]2CCC(=O)N2C1 1799151855 UJSZJBXOUVDSGR-VWYGNSGTSA-N 462.547 0.506 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1799303739 SKSIGFZVMUSRJR-CWPLJXCYSA-N 468.510 0.646 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1800955709 QJCOYPYWCAXZKZ-HZKBFECFSA-N 463.531 0.860 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)/C=C\C(=O)NCC=C)[C@H]1c1cccnc1 1802476655 LWVFFHCCQUPSIE-BEVQASJCSA-N 451.527 0.804 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1820894174 GJZVFQKGGPQMJG-AWEZNQCLSA-N 457.424 0.636 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@](C)(O)CC(=O)O)CCN2C(=O)OCc1ccccc1 1829355622 ALIKWPWIENZHDL-RPWUZVMVSA-N 471.510 0.688 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C(F)F)C2)C1 1829766094 LLHVSDJQVJHXPO-OLEQZPESSA-N 467.473 0.286 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1829769994 AVJMWTKMQGDEPY-UZQCKINESA-N 453.499 0.491 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)C(=O)CC4)C2)C1 1829771575 WFKVPITVINBACV-UTBBOMKLSA-N 467.522 0.744 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1830385201 HDWCIMAZUHBVFJ-TYZJWPIRSA-N 486.591 0.018 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)CCc5cccc(C#N)c5)CCO4)C3)CC2)CC1 1830461748 ZTUSJWXLHZXCBE-AREMUKBSSA-N 495.624 0.727 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830882960 ZFVWKHXJRPCZCM-NTKDMRAZSA-N 499.605 0.701 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831325633 YYSMMUPJPRQLJS-VFNWGFHPSA-N 498.989 0.609 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)C2)C1 1831387963 NWUVDDZSUWGHEK-PNCHPQGNSA-N 467.563 0.642 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 1831402116 OELXYWZDFGERHW-KHCICDEESA-N 479.574 0.881 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831478221 PCHLNNJHEWBMTP-QHCPKHFHSA-N 460.506 0.611 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1831491097 VUOWCONEMNMFJL-FXAWDEMLSA-N 477.649 0.069 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833024315 JEGHRKXPERIIRP-UVQUFPMPSA-N 480.587 0.404 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cc3cc(C)n(C)n3)CC2)CC1 1833074438 ORJKJCCRFNFQFG-WAYWQWQTSA-N 456.591 0.701 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)ccc1Br 1835310002 KYWJPGHNNKCNJR-UTKZUKDTSA-N 491.342 0.669 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CNc1ccc(F)cc1)CCO2 1835576919 IQOCNKNZNMTFRB-YLNCNTMDSA-N 460.506 0.552 30 20 JCED Cc1noc(C)c1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672660 GJEOFLZQPSEHSD-QHCPKHFHSA-N 461.563 0.962 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1cccc1C=O 1835953777 GTQQGCKYARXIBO-WZONZLPQSA-N 459.547 0.600 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)cc1 1836775809 DTFCSZGUBPFAAA-RUZDIDTESA-N 492.536 0.201 30 20 JCED Nc1n[nH]c(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)n1 1837272108 NDJXIXGHUMLSQG-LAEWNIMASA-N 474.543 0.277 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1837440804 YZPDLVUDROMMQP-JZHPBVHJSA-N 482.431 0.270 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)n1ccccc1=O 1837531105 CZHJSBZDIKGQQA-DHONSFFCSA-N 476.530 0.395 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837562475 LEFNBKRHAWKGSC-IQTGRTGDSA-N 459.528 0.737 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1838403692 FKQUPUFUEZOFBY-AJPHYDNBSA-N 475.546 0.771 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(N5C(=O)C=CC5=O)cc4)C3)C2)c1 1838742747 NDKIGYSTWYQCTP-VWLOTQADSA-N 489.488 0.700 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1839176290 GSLDRFYQGWZVAW-PXDATVDWSA-N 484.553 0.718 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839223199 OXAUGNNVTBKRLS-JTSKRJEESA-N 461.519 0.069 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839373068 UDIDORNJNNVYBJ-HPARJBSBSA-N 462.503 0.345 30 20 JCED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)c(=O)[nH]c1C 1839419945 DLUVMBBRQURRKY-HSZRJFAPSA-N 469.473 0.781 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)ccc3-n3ccnn3)CCO2)C1 1839478254 KWRXITCAVFBUME-DVECYGJZSA-N 467.526 0.684 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)COc5cccnc5)C4)C3)c2c1 1839487496 LLJZFXKBWUFBQV-DEOSSOPVSA-N 476.493 0.979 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839637155 YKUAWBCGQCYQIH-OMHIIYBDSA-N 499.568 0.738 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1c3[nH]cnc3CCN1C(=O)OC(C)(C)C)CCO2 1839738693 DIXMBBQJVORKSG-AUSIDOKSSA-N 473.530 0.334 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1839785271 MCLDAUDALPVDFJ-HCLVMJGWSA-N 475.567 0.961 30 20 JCED COc1ccc2c(/C=C/C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c[nH]c2c1 1840042757 NCXTXHRWFVGKMS-OCVYDVGESA-N 467.478 0.734 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)c1 1840105727 VTXUILYROHYDLU-DEOSSOPVSA-N 470.526 0.649 30 20 JCED CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)OCC 1840281748 LFYKHMIIMBQMKH-IGPUNGKJSA-N 451.520 0.944 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840362803 BKLMOPSBCFFGCB-WBMRLQDFSA-N 458.563 0.443 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840772365 PADNKPUGFWQZHS-YJYMSZOUSA-N 460.549 0.618 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1)NC(=O)OC(C)(C)C 1840795654 UXTPSVJJEJBOII-GAJHUEQPSA-N 492.577 0.745 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=C/OC)C2)C1 1840909087 MJUPFDZDVABKQO-OMSKPKMWSA-N 465.547 0.910 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C)C2)C1 1840909095 MPBIWXTYSBHUDP-MHECFPHRSA-N 487.557 0.772 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2CC(O)C2)C1 1841303993 XXYLPPDEMBMWLN-JCYILVPMSA-N 480.562 0.766 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](COC)NC(C)=O 1847939442 FAWOEOCUGRGMSG-XSLAGTTESA-N 452.552 0.809 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O)NC(=O)OC(C)(C)C 1848128388 IQGTWYZAXZQWRM-FZKCQIBNSA-N 463.535 0.646 30 20 JCED CC(C)CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 16635042 RAAYDZPBGRFVLS-LJQANCHMSA-N 482.628 0.536 30 20 JCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 30938828 VRGLEDCEZQYQTL-IBGZPJMESA-N 491.595 0.384 30 20 JCED COCCCn1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 504437692 BWLTXMOBEPOSKD-UHFFFAOYSA-N 464.573 0.811 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C1CCN(C)CC1 517983354 DFNCGNIRFBNYJW-UHFFFAOYSA-N 474.970 0.850 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)cc2Cl)c1=O 523476728 GGPSZQNHCNPANX-UHFFFAOYSA-N 477.970 0.970 30 20 JCED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 524276064 PPLNIORULFPWIU-UHFFFAOYSA-N 488.522 0.818 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 603928613 GWIZRWVJTSDHJS-UHFFFAOYSA-N 451.486 0.625 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc4c(c3)CCO4)c2=O)cn1 608884610 XAFRKORDWUFGCP-UHFFFAOYSA-N 490.541 0.599 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 794251462 XTPAUVSEBCMCLV-UHFFFAOYSA-N 472.523 0.851 30 20 JCED CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 831544413 VQSTXPYVONUPLL-INIZCTEOSA-N 478.571 0.908 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 837001344 AGWHALWDQIEVTF-RDJZCZTQSA-N 457.574 0.844 30 20 JCED COC(=O)C1CCN(C(=O)[C@H](OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C(C)C)CC1 913242581 GYAMCHIFFWJWEV-LJQANCHMSA-N 465.528 0.816 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3)c(=O)n2CCOC)CC1 916199939 OTDCYEAKLDXALU-UHFFFAOYSA-N 456.568 0.232 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1 918607711 AADHVRNLKVHKLP-LTGZKZEYSA-N 454.534 0.150 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)cc2)CC1 919725072 RWIIHKNVOAVEQO-OAQYLSRUSA-N 462.528 0.505 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCCCC1 1303863151 MUCYHSSWALCQSB-PKOBYXMFSA-N 464.640 0.941 30 20 JCED CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)c1=O 1313849828 LQLCADVDXZDLMG-HXUWFJFHSA-N 477.525 0.910 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H](O)C1 1316102487 WMBLDSZFXMBWLO-KURKYZTESA-N 470.596 0.529 30 20 JCED CC[S@@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1503297642 PUIGTIUYHPBHAH-MHTXLSKPSA-N 458.610 0.510 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)COC2)CC1 1503377314 ZCVHETUOZXRDRU-UHFFFAOYSA-N 453.547 0.975 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1N1CCOCC1 1541946668 ZBJQVSGOMAFGQY-SJLPKXTDSA-N 475.575 0.502 30 20 JCED CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1547318981 QCFYJLJXKFMUHJ-QGZVFWFLSA-N 489.577 0.996 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCS(=O)(=O)NC)CCOC1 1547915642 QJZLGPCVGNSUFU-QFIPXVFZSA-N 489.602 0.678 30 20 JCED COCCN1C[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)CC1=O 1555571524 GPIXQJNPYVCQNB-CVEARBPZSA-N 467.596 0.513 30 20 JCED N#Cc1cc(F)ccc1CS(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1659357990 YWZHVQMRWUZQQI-LJQANCHMSA-N 459.565 0.739 30 20 JCED C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(=O)NC)c1ccccc1 1690324692 WZBPHKBQERIOJJ-SFHVURJKSA-N 462.576 0.897 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCO1 1692798316 YTTMSSPYXHWULK-NVXWUHKLSA-N 460.564 0.661 30 20 JCED CCN(CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1710063616 KJGACSURCHOQHH-APWZRJJASA-N 457.576 0.785 30 20 JCED CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1741019206 XRJQTOBUKVBOAS-IBGZPJMESA-N 451.531 0.980 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C)C1CCN(S(C)(=O)=O)CC1 1747623795 PPSSMBCFAPPTJN-UHFFFAOYSA-N 455.548 0.854 30 20 JCED CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1747901068 KURDFTPOJXGZSW-NRFANRHFSA-N 453.528 0.835 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CN4CCN(C(C)=O)CC4)C3)C2)c(C#N)c1 1778355373 VMSVYOQVNHXDCV-RUZDIDTESA-N 483.569 0.103 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2)c1nc2ncccn2n1 1778587276 XQMWYEITWGDUQN-LWRJRLFPSA-N 451.487 0.964 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1778943849 WLOMAYAFZMCNIF-NYHFZMIOSA-N 463.535 0.552 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1cccnc1 1779061041 OCBHGKJJNKDUOU-XMMPIXPASA-N 454.527 0.340 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1779100690 DBCMRTJZXKMRNP-YITPPGKRSA-N 463.491 0.671 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c(C#N)c1 1779386296 FEZBCBZTCGFXDO-NRFANRHFSA-N 454.443 0.884 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ncn5c4CNS(=O)(=O)c4ccccc4-5)C3)C2)CC1 1779948399 WIIXGWICSWRTBD-HSZRJFAPSA-N 496.549 0.411 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780181893 VCZCACAVZWAGDQ-ZJSXRUAMSA-N 492.573 0.710 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780249467 AHXHTSFRWAGXIA-NYHFZMIOSA-N 459.503 0.130 30 20 JCED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(F)c(C#N)c2)C1)C(=O)O 1780756744 RYZADXWZHUQRNL-DNVFCKCGSA-N 460.506 0.816 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)cc1 1780935835 VFGQPVHFGOZJDC-DEOSSOPVSA-N 479.562 0.836 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)CCO2 1781268724 VEZSYZDYYJOLBS-RCDCFZSISA-N 452.533 0.128 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c(Cl)c1 1781970104 FHEAWNPUBQMHGX-NRFANRHFSA-N 454.874 0.858 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)Cn5cc([N+](=O)[O-])cn5)CCO4)C3)c2c1 1782192689 RJDZEVNBSQJDGZ-NRFANRHFSA-N 464.442 0.683 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782648274 CXBOUCYSMYRVHZ-UZFJHSOTSA-N 495.646 0.770 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1)C(C)(C)S 1783781800 OVECFAKXGQBXQY-VLIAUNLRSA-N 473.596 0.086 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783835511 HYGFTXVNDZZAQJ-AUSJPIAWSA-N 493.648 0.463 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)CCO2)C1 1783895670 YUNNCVVYYAOCNV-SZNDQCEHSA-N 480.591 0.791 30 20 JCED CS(=O)(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1784741771 HGHXONIYUWDOIC-GOSISDBHSA-N 474.461 0.850 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785150507 CSSUADHFKVBMGT-XSLAGTTESA-N 462.623 0.615 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1785304694 MZZMMWMCDIYVAU-OYHNWAKOSA-N 463.535 0.552 30 20 JCED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1786563143 NGSYZARHOVIINX-ZJOUEHCJSA-N 457.490 0.735 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786648945 USPQDXWLIVGAQC-XSLAGTTESA-N 487.619 0.870 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1)NC(=O)OC(C)(C)C 1786804323 POISZUGUHQTYJG-PJVZLEMVSA-N 495.621 0.418 30 20 JCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ncn5nc(N6CCOCC6)ccc45)[C@H]3C2)CC1 1787176315 XGBVOJZXIGDVAJ-LNLFQRSKSA-N 479.541 0.463 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CSCC(=O)O)C[C@@H]43)c2c1 1790330217 CHELOSATKGSXDD-QRTARXTBSA-N 457.512 0.846 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)C2 1793349894 QHFYDMXVUXWSJQ-XEZGLNCPSA-N 467.538 0.962 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1793357690 XAGJYQZLWRYGCT-XRNRSJMDSA-N 481.590 0.785 30 20 JCED COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C 1793387556 GLTDTZVXRKXQTD-HNJRGHQBSA-N 462.609 0.227 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795421743 BCQLQSRDPIMTED-RMFSNUHRSA-N 482.578 0.828 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795893266 YZCTUXBSSIJJCF-DMUMMCEESA-N 474.562 0.565 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O)c1ccc(O)cc1 1796324023 MERORMAYLIXOJW-FHZCGSGISA-N 456.543 0.926 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)[nH]1)C(C)(C)S 1798183424 DSEIPLLTAGIZHV-AYRXBEOTSA-N 483.591 0.920 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1800202568 FKJOPELMXSPKJX-BMFAXAFESA-N 456.547 0.071 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1 1800778226 IDADMBXJJBXBGP-PDOICOKGSA-N 463.531 0.701 30 20 JCED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1800839608 RWIDCTVLTYXWIF-DDZVEQRCSA-N 451.520 0.358 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(C)C)c(C#N)c1 1801848889 FWDCZIWELZSZBW-SHJAMOMRSA-N 474.514 0.613 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1803507439 DTURMJSNKCUAJX-BHIYHBOVSA-N 478.619 0.697 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CCN2C(=O)c3ccccc3C2=O)[C@H]1c1cccnc1 1804229823 ROUKMCSJXQIWIP-UZUQRXQVSA-N 474.473 0.862 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)Cn4cnnn4)[C@H]3c3cccnc3)c2c1 1812069885 PQQPKFSSFPXTOI-IERDGZPVSA-N 456.470 0.836 30 20 JCED C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1)N1CCN(C)CC1 1814982200 KVCUPKSOATVWTA-JKSUJKDBSA-N 461.636 0.973 30 20 JCED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)CC1 1825235028 YQSBLGHTYDOTMK-YJBOKZPZSA-N 456.499 0.700 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(N3CCCNC(=O)C3)n1)CC2 1825663344 FDACVQQBZSAQSR-CYBMUJFWSA-N 482.522 0.178 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]cc1I)CC2 1825667184 OAMXSCQDZZMYGP-SSDOTTSWSA-N 485.263 0.785 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCN2C(=O)OCc2ccccc2)C1 1828982869 LAMRPEKDMHNGLE-SBUREZEXSA-N 488.614 0.597 30 20 JCED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)cc1O 1829629963 KSWDCQRLTHPYEL-HSZRJFAPSA-N 453.499 0.700 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(NC(C)=O)cc3)C2)C1 1829770374 LVNIUSSXPKVTAY-KWQGRVAKSA-N 484.553 0.502 30 20 JCED C[C@@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)C(F)(F)F 1829899422 ZDAXWQHZNQVJQX-WOJBJXKFSA-N 455.433 0.870 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904264 MTIHSPBDZFZJIE-FDDCHVKYSA-N 452.515 0.485 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)c1ncc(Br)cn1)CCO2 1830940971 HARGFYLMQZYDPM-LJQANCHMSA-N 451.321 0.606 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 1831399532 WGDSAPJOTBLGGS-GAJHUEQPSA-N 475.498 0.641 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1831406196 ZQFGNGZAGQCRRF-HSZRJFAPSA-N 462.547 0.574 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831432608 BZNLFTWWHAGZMP-YHPCMVROSA-N 469.538 0.944 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)no3)CCO2)C1 1832574942 GOZKUEPAMAXYAB-CYFREDJKSA-N 490.557 0.899 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833479831 YGESLONGNXGGRI-QHCPKHFHSA-N 468.466 0.106 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)c(O)n1 1833699722 KOYNTKIMGBKEDG-JOCHJYFZSA-N 488.570 0.886 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3coc(C)n3)CCO2)C1 1834212902 BCZOZUXPZPXANA-UZUQRXQVSA-N 476.530 0.970 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834760797 KUBMPDRRIXJTDF-LEWJYISDSA-N 454.499 0.706 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)CCOC1 1834765622 IPRCFASPOQVSPL-SFTDATJTSA-N 452.508 0.040 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835208358 HGJVJJVWPDANGJ-VGSWGCGISA-N 455.552 0.901 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(N5CCOCC5)c4)C3)C2)CC1 1835345828 FQISZMZCSCPMHW-XMMPIXPASA-N 454.527 0.897 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1835677414 HWLOIJVIMKIIOW-HXUWFJFHSA-N 454.478 0.630 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1)c1ccccc1 1835761638 QWTLFCJGPYGYOQ-BPYKYCOYSA-N 471.554 0.703 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CC)NC)CCO2)C1 1835916161 FVHYRZSLCKWGBV-YZZKKUAISA-N 468.595 0.910 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)Cc4cn5c(nc4=O)SCC5)CC3)CC2)c1 1836339078 CVMVADJRXYMVPQ-UHFFFAOYSA-N 495.609 0.977 30 20 JCED COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c(C#N)c1 1837117303 ZMIJOUMKTSALLI-OAQYLSRUSA-N 497.552 0.706 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837246663 IBSUHHBZVMTOIE-ICACTRECSA-N 463.556 0.552 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837466877 REWZLNXRSJFNJF-QFIPXVFZSA-N 459.572 0.307 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837491091 UQIHBSSEWZCPNB-PVHRDILVSA-N 477.558 0.670 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)ncc1[N+](=O)[O-] 1838736106 JRPOOJIKHVEWOY-NRFANRHFSA-N 454.443 0.882 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC[C@@H]5CCC(=O)N5C4)C3)C2)c1 1838739449 SYUAJKYRLJNWPJ-PNCHPQGNSA-N 455.515 0.357 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)nc1 1838906577 QYZZZPMLJLRZBM-HSZRJFAPSA-N 484.534 0.741 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)c1 1838908137 JLJXCZLFERRPPC-HSZRJFAPSA-N 451.483 0.757 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)n1 1838951092 YAWPPRNTFDYDBW-HSZRJFAPSA-N 453.499 0.785 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2 1839138537 GKNDQTMBTYYOKW-XMMPIXPASA-N 499.605 0.967 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)c1cccs1 1839663989 DQYAXRCVDHBSAT-LFTXJPJQSA-N 472.523 0.200 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)cc1 1839664892 SBHNQHWNZHYCTM-QHCPKHFHSA-N 451.483 0.080 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840010089 IPUXERMJAIDUMV-KBVWPGPTSA-N 461.559 0.969 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840165138 OPCLEPSSQIKPHK-PZPWOCDFSA-N 489.591 0.218 30 20 JCED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1840320207 GFEJSNANYGUFPA-OAQYLSRUSA-N 453.612 0.850 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840363282 RFQJVPMBTPJJFK-KBMIEXCESA-N 470.570 0.670 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CN(C)C2)CCO3)cc1C#N 1840573581 YRKYQUHTBOJULM-XMMPIXPASA-N 456.543 0.977 30 20 JCED C[C@H]1[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCN1C(=O)OC(C)(C)C 1840962440 VUBBVDHUSQKQLC-QQMNAOGKSA-N 479.530 0.176 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1841583539 ARHREIRVUSJEBD-CVEARBPZSA-N 470.592 0.434 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1847443540 RICNNAGDGTWLTI-AEKZIDOCSA-N 469.604 0.888 30 20 JCED Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc21 486100717 CAPMPAZVVBARCU-UHFFFAOYSA-N 462.509 0.698 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C 489153019 DBVBTRKSQRFQRA-UHFFFAOYSA-N 482.356 0.579 30 20 JCED Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1S(=O)(=O)NCC#N 514457777 UTIGVXDYHIBTEN-UHFFFAOYSA-N 461.588 0.957 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)CC2)cc1 517091355 ZWJUKMWKQCUDNA-GOSISDBHSA-N 462.576 0.162 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc(OC)cc2)cc1 517185159 VYTASSRVTJSOBR-UHFFFAOYSA-N 474.539 0.986 30 20 JCED CCOc1ccc(N(CCC#N)C(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 520594401 PCIXNPBLPKYFJN-UHFFFAOYSA-N 455.515 0.625 30 20 JCED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)c2)c1 603721218 ZRCGOIRHLGGHPN-IBGZPJMESA-N 484.534 0.885 30 20 JCED COCCN(C(=O)CCC(=O)N[C@]1(C#N)CCSC1)c1c(O)nc(=O)n(CC(C)C)c1N 603883373 OMYDUEQDNAPLDS-FQEVSTJZSA-N 466.564 0.462 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccccc3-n3cncn3)CC2)cc1 604162697 PCFWOQLGWKMYJU-UHFFFAOYSA-N 465.495 0.611 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c(C)c1 608828355 QXJWXEZIBQAODP-UHFFFAOYSA-N 488.569 0.977 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O 608911005 CIIMCHDBZCKARP-UHFFFAOYSA-N 480.468 0.856 30 20 JCED N#CCN1CCC(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CC1 609330414 OJPLNWQSKLTJRW-UHFFFAOYSA-N 459.528 0.679 30 20 JCED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1=O 725768154 LAKDRJQIQXGYMS-JOCHJYFZSA-N 468.539 0.752 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 729323668 SVJINZMSILHDSS-OVJLLXBISA-N 477.587 0.619 30 20 JCED CC(=NN=c1nc2[nH][nH]cc-2c(O)n1)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1 731155127 UIXVIYANHLNMIQ-HNNXBMFYSA-N 459.488 0.896 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 753656100 XCSNWJRTGFBVJO-MRXNPFEDSA-N 473.507 0.721 30 20 JCED C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCC[C@H](C(N)=O)C1 857763597 PRUYLWXLMGUFRR-QAPCUYQASA-N 476.555 0.615 30 20 JCED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cn1 917791104 FOUCKBOJTUECDY-UHFFFAOYSA-N 470.599 0.148 30 20 JCED CCOC(=O)c1c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]c1C 917863214 NWLMAEKHUUQSBH-UHFFFAOYSA-N 467.529 0.462 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)c1 927573273 OJGOTMRRAWNQMC-RDJZCZTQSA-N 470.569 0.569 30 20 JCED COc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1C#N 1254695058 PMQXCHSCYIKCCF-IYBDPMFKSA-N 451.549 0.748 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)Nc2ccc(F)cc2)C1 1302478561 JQOZKWSZBSBABX-OXJNMPFZSA-N 495.512 0.831 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1302497587 XXZYHZVDAQLUPA-QGZVFWFLSA-N 457.560 0.861 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1cc(Br)cn1 1303866969 MHRXNXMMOHXAAB-OCCSQVGLSA-N 487.384 0.666 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)CC1 1360790944 LGPAUCVYMOSFBU-HNNXBMFYSA-N 474.609 0.176 30 20 JCED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1505321238 LACOJRLNZVWMGT-GJZGRUSLSA-N 480.451 0.917 30 20 JCED CCS(=O)(=O)NCCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516855222 HUKXYOURYBMXCL-IBGZPJMESA-N 473.603 0.993 30 20 JCED C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1691001826 PJNBGFPYWKGIJJ-HNNXBMFYSA-N 450.503 0.647 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CC(=O)NCC(F)F)cc1 1698489661 ZADZEVIWCKJEGT-CQSZACIVSA-N 461.429 0.751 30 20 JCED COCC[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1712317478 IUGBLEALPFWJSF-HTAPYJJXSA-N 491.618 0.874 30 20 JCED Cc1nn(C)c(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1751824372 XVJMQNIXEAFBNZ-SUMWQHHRSA-N 450.569 0.606 30 20 JCED CCOC1CC(O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1767696155 MPYNABOVXMFAIA-VVMSIFSJSA-N 482.607 0.671 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778080677 JXRMLYHJIYZCHO-LRAJWGHMSA-N 453.467 0.252 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4CCN(C)CC4)C3)C2)c(O)n1 1778258025 PYYHMWHDANKSND-XMMPIXPASA-N 457.575 0.597 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778850757 GYJWPLAXNIOIPV-DURYTUKUSA-N 489.577 0.619 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1779335882 LIHPWBYXURYOFA-IYBGNGRRSA-N 473.574 0.682 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781200652 LBOYBYALXAGNOM-KSEXMQBYSA-N 480.562 0.216 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1781271923 SCIMXPUSSBYQIQ-YTZAWJCFSA-N 495.573 0.696 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1781394693 FRVJYPTXOITJBG-IVZQSRNASA-N 472.502 0.923 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)ccc1Br 1781904276 HYOCFMMOAKKWCG-KXBFYZLASA-N 463.288 0.873 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963586 JUVREQRVOXSZFX-DENIHFKCSA-N 461.446 0.636 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cnc3cc(Br)ccc3c1=O)CCO2 1783046985 USRDRKVIUOFYTK-FQEVSTJZSA-N 459.300 0.622 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1783276228 XDIQIJRPKQAUNI-NDBKNAECSA-N 494.589 0.307 30 20 JCED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1783684236 UIEFEOFMLSHITF-ZQIUZPCESA-N 463.498 0.714 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1784199118 CEGVEGDNJGBTKH-ZAZJUGBXSA-N 455.577 0.863 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]2C1 1784522391 VEOIGGFJKNDJHB-BCYZHJNNSA-N 499.630 0.563 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN(C)C(C)=O)[C@H]2C1 1784938077 VCNMMQBWQBWUFI-MUGJNUQGSA-N 478.590 0.751 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)NC(=O)OC(C)(C)C 1785307731 HYDHOZBNKLGIHX-JTUHZDRVSA-N 498.577 0.740 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785516340 OMGYGKLVPOKJMY-SAHWJRBASA-N 481.546 0.311 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](COC)NC(C)=O)C[C@@H]32)c(O)n1 1785773448 HFZVBROIWZSRCH-FIRPJDEBSA-N 474.558 0.650 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncnn3C)[C@H]2C1 1785854890 HDAPCMUGLLKTPC-NXOAAHMSSA-N 460.535 0.325 30 20 JCED Cn1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc2c1-c1ncccc1OC2 1791075920 DHGABZIHMRYHSO-QOKNQOGYSA-N 464.478 0.661 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]21C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077736 GOBBBSXTGXXIDI-QLRNRTMNSA-N 461.515 0.454 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1791266986 OORNVCUCMHJHAU-GVZUZGFXSA-N 457.593 0.656 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C5(C#N)CCC5)[C@H]4C3)csc2n(C)c1=O 1792141453 PKANMQGURCSKSP-XIRDDKMYSA-N 499.593 0.515 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(OC3CCOCC3)n1)C2 1793345296 RCNQYJALMMRBDK-AYMMHLMVSA-N 457.527 0.881 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCOCCOC)C2 1793823557 BTPWRHHOHZPADH-RMFSNUHRSA-N 460.593 0.191 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)c2C1 1795081915 RVKVJJATOKZMCN-XOIINTDNSA-N 459.507 0.146 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn(C)c(CC)c1Br 1795951711 DMMZAJLZDXOJLI-VWPFQQQWSA-N 467.364 0.987 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c[nH]c(=O)cn2)C3)c(C(F)(F)F)n1 1795999594 XFPHEAPZHOOWBX-CULMDFNYSA-N 462.388 0.572 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1796316792 HYCRCEJIVYPDAH-BAESOJJISA-N 468.436 0.622 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1797282520 VAUYRVMFDPYTBQ-NFYPIIHDSA-N 453.467 0.013 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798857976 GWNAZUAROVHAGO-RDGPPVDQSA-N 458.515 0.647 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 1799304100 ZFQQQDBKWCYARN-RMFSNUHRSA-N 453.499 0.980 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1799304118 NHCZAICOQUPBBF-PDPLOHQNSA-N 457.483 0.820 30 20 JCED C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C 1800878241 AFBDZMMPXIZBLK-JDCPMNFLSA-N 486.569 0.964 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1800973659 LKHJMGWDMLIPOZ-GHHWKCCRSA-N 463.531 0.748 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ncc[nH]1)C2 1802126219 JEZRJJXILYECOB-AXVVYFOYSA-N 459.547 0.849 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCN(C)CC1)C2 1804372226 MBHHIBCLQYBELX-IYWMVGAKSA-N 461.607 0.789 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807354722 ROGLCKISAKTCJH-ZAJARFIBSA-N 494.512 0.661 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812905432 XERDIVHVVUECAM-WIRSXHRWSA-N 486.525 0.546 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(N4CCOCC4)n3)sc2C1 1817662951 YZBLBQUTCFSTLH-CYBMUJFWSA-N 455.496 0.689 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)[C@H](O)N3CCOCC3)CC4)c2c1 1823891737 HWOHRQGWGYKWQR-ASSNKEHSSA-N 481.538 0.767 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cccc([N+](=O)[O-])c3=O)sc2C1 1824714242 OQHRINRPTJULOS-MEJMFZKBSA-N 486.510 0.684 30 20 JCED Cc1nccn1CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829247534 QZEYJAZGYQAPQD-VWLOTQADSA-N 493.520 0.732 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)cc1 1829630878 CWJMDKUMDWKZSK-DEOSSOPVSA-N 475.509 0.699 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)c(OC)c3)C2)C1 1829769451 SRDUBIKOXDMXPC-WEHRJKGCSA-N 457.527 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)c(OC)c3)C2)C1 1829773128 BQWSCCUMIUSTSY-KSEXMQBYSA-N 461.490 0.763 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)c3ccc(OC)cc3)CCO2)C1 1830218672 PTPKRHBALKLRFN-SKPFHBQLSA-N 462.543 0.758 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CC1 1830468065 BFGIPYNNIHNBDZ-DEOSSOPVSA-N 474.989 0.395 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1831487615 QQAMYFYZUJPJMB-PJHJGJPPSA-N 458.606 0.200 30 20 JCED O=C(COC(=O)C(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832190956 OLUUWEUNJXADFE-CYBMUJFWSA-N 454.295 0.449 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251569 IVVRHOSDWFJARB-BLLLJJGKSA-N 471.404 0.599 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)c(=O)[nH]c1C 1833386196 PJCNCOKGBAVQNU-VWLOTQADSA-N 479.537 0.961 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797140 ARCVWICNJKSYAW-HNNXBMFYSA-N 472.550 0.404 30 20 JCED O=C(CCN1CCOC1=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835453718 JOAMAFNRFNFWBJ-PCCDRTMGSA-N 479.578 0.929 30 20 JCED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)COc4ccccc4C#N)CC3)CC2)CC1 1835483494 HUTRZALXDLQCJE-UHFFFAOYSA-N 482.629 0.756 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1835645316 DOJHIDYNPVDDDT-QFIPXVFZSA-N 497.556 0.684 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1836374358 WUWTZWKRXGYRPO-SIKLNZKXSA-N 463.667 0.767 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837394641 FXPJIWBVARUUQD-IERDGZPVSA-N 452.483 0.426 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1837395036 OJRMXJDSCGUCTP-GBXCKJPGSA-N 469.542 0.910 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1837396909 OPBVUAYYQXZMGS-NLFFAJNJSA-N 484.553 0.809 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837400309 CLTZFLBWCQKVSS-IIBYNOLFSA-N 461.544 0.729 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837445100 COYHBXUUQGWBLQ-ZICLHRSZSA-N 473.456 0.365 30 20 JCED Cc1nccn1CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447861 VXKLFDFADQEXBD-DZQSVEARSA-N 460.579 0.900 30 20 JCED Cc1noc(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486447 FTJRTKUTLFEABC-DEOSSOPVSA-N 459.543 0.989 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837491523 OXHKDMFPJYKNAL-VWLOTQADSA-N 485.537 0.637 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837531359 KLKCDDJMEANMQH-JFLPDWHMSA-N 465.551 0.444 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccccc1=O 1837686846 LWOSZIWCTIPWSV-NLFFAJNJSA-N 471.554 0.564 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-c4ccccn4)[nH]n3)CCO2)C1 1838050196 CGBHPPBNMQQQIP-DEOSSOPVSA-N 481.557 0.824 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1838605194 SLORGZUVVBKFCV-QHCPKHFHSA-N 469.498 0.552 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1838629376 QGOJGEURLRWLRQ-MOPGFXCFSA-N 493.557 0.301 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1839223949 CACNZHBTNUJIDV-SNYIIPAISA-N 458.559 0.958 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1839224943 TWZDNHTYDXLOSR-UZLBHIALSA-N 451.549 0.826 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)c1 1839452270 RWWJJFBIOOIHSN-XMMPIXPASA-N 466.494 0.960 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC(=O)N5CCCC5)C4)C3)c2c1 1839487750 VVECNWBPYZSNTJ-RUZDIDTESA-N 494.552 0.907 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CN(C(=O)OC(C)(C)C)C4)C2)C1 1839806847 DYHQIJPKOXFXCF-JOCHJYFZSA-N 459.503 0.364 30 20 JCED CCN(CC)[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840044614 OGYFVAHTZDNUPB-ISKFKSNPSA-N 457.527 0.614 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1840108346 RGJYOAQVSSKENZ-YZZKKUAISA-N 492.577 0.765 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1840159138 XERVIFNVUQDMOC-MRUHUIDDSA-N 467.613 0.871 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1840163202 FIBYVCWFKOKTCV-XDTJVVMOSA-N 463.600 0.397 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1840176117 VZPKRFJYKRZPKD-KSFYIVLOSA-N 451.520 0.945 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1840204968 YJHAWNVXXJBIKZ-IBGZPJMESA-N 472.395 0.446 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1)c1ccc(O)cc1 1840221741 IJNNJNHWKJSBIT-FZOAFFARSA-N 486.569 0.793 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840290821 JOWGMWDXMJOENO-GXZWQRSESA-N 471.576 0.687 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1cccn1 1840442420 DGZNAMJXOFGYKY-MWTRTKDXSA-N 463.498 0.962 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CCO2 1840917780 OLTVFJQMLWIOSE-HSZRJFAPSA-N 493.557 0.316 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 1847805568 LYCLEEJQUYKVGB-LTIDMASMSA-N 451.520 0.683 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnc(CCC(N)=O)n3CC(C)C)CC2)o1 31917493 GLWCKXLSIUDPKY-UHFFFAOYSA-N 460.564 0.961 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1 516442836 WJTKGSDSCHYBLG-UHFFFAOYSA-N 482.522 0.559 30 20 JCED C=CCN(C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)[C@H](C)c1cccc(-n2cnnn2)c1 596103654 HHWCSDGEHBOILC-CQSZACIVSA-N 483.510 0.993 30 20 JCED Cc1nc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cn1C 726770050 KGVOWYCNAVEMPI-JWGURIENSA-N 468.561 0.458 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCN(C(=O)c2ccco2)CC1 769205801 OXTDSHNZEOJZQY-HNNXBMFYSA-N 474.495 0.346 30 20 JCED C#CCNC(=O)[C@@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 820033356 CCKJNYPVVZHNTA-OAHLLOKOSA-N 462.528 0.208 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)c1 918400390 CJRSUZVIPBRRCI-XIEYBQDHSA-N 471.543 0.577 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 918609821 CAZNDZNFQWWCGD-JJIBRWJFSA-N 470.511 0.697 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)C1CCCCC1 1288869902 LNXFBJWSAYOZGT-ZBFHGGJFSA-N 453.569 0.408 30 20 JCED CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1296308319 WZOGCNXSIHEOAP-UHFFFAOYSA-N 472.575 0.704 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1298283783 OBZCRTXYIBUMEF-OAQYLSRUSA-N 458.544 0.572 30 20 JCED C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359153005 PYSCWEDZEITKDS-UHFFFAOYSA-N 457.926 0.483 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1360682178 XMJPJJSSDQBNBZ-SCLBCKFNSA-N 470.552 0.782 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCOCC1(C)C 1360707505 FPNDMWXVBZPYHQ-AEFFLSMTSA-N 480.639 0.176 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N(C)C 1617907951 LRCWYJNLOQISPU-QGZVFWFLSA-N 466.589 0.580 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1618842193 LCDOWXDXJHAWRK-UHFFFAOYSA-N 455.548 0.426 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1620168846 UJQKXPOJAVZZJO-KRWDZBQOSA-N 494.599 0.245 30 20 JCED CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1637471985 QBPMDELLCAMXAQ-IBGZPJMESA-N 452.515 0.102 30 20 JCED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 1658267758 IGIZYIYEKFYSMS-GOSISDBHSA-N 453.547 0.901 30 20 JCED CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1)S(C)(=O)=O 1696650350 OOUKSVHBGDBZDU-UHFFFAOYSA-N 455.548 0.969 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705755773 YCEHEHKQGLPYOK-GJZGRUSLSA-N 473.987 0.404 30 20 JCED CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CCC1 1710317270 UUXRCWKHBQWGOE-UHFFFAOYSA-N 496.620 0.963 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCN(CC)CC2)CCOC1 1746735594 QYQHMHJFPMNCBX-ZRCGQRJVSA-N 461.611 0.933 30 20 JCED CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1766089752 JJTWPAQZSPHWAA-INIZCTEOSA-N 464.548 0.876 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778002662 CTZXESFXGHZTBD-IPRDPGLQSA-N 479.622 0.483 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779140182 UUNMWBVAZYTQGA-ISCKSEBJSA-N 478.546 0.804 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779954729 QBJHKJGSMWRYDZ-XWRADEMYSA-N 458.544 0.671 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(N3CCOCC3)c2)C1 1780981299 JBXRWBVECUHNCB-HYBUGGRVSA-N 455.511 0.739 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781399480 GESWTXDYVLTPRN-DENIHFKCSA-N 473.567 0.313 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)C[C@H]2C1 1783434325 UWLLIUDTSUMDGD-FNVCAUGXSA-N 461.515 0.551 30 20 JCED CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561972 UIHMQXYLDJOERN-MWTRTKDXSA-N 481.546 0.613 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1)C(C)C 1783899723 DWVYMGZZBMNCQZ-ACTFIFLWSA-N 484.619 0.506 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1)c1ccccc1 1785153457 XKJVZGAYGYZRMF-SSTJLMRISA-N 466.538 0.761 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)NC(=O)OC(C)(C)C 1785301476 BGDPHUPNDYTGGS-PONJGIIJSA-N 466.535 0.784 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)NC(=O)OC(C)(C)C 1785304490 HYDHOZBNKLGIHX-PRCFCKQXSA-N 498.577 0.740 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1785577964 SJPILZAMHCBPKH-UUOWRZLLSA-N 485.541 0.767 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785608131 CPYGLLNGUFIBSZ-BTYIYWSLSA-N 470.592 0.504 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)no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c1cc(OC)c(OC)c([N+](=O)[O-])c1)C2 1793346426 QQXFCMBPZAWRJM-AMVTXUCVSA-N 461.471 0.854 30 20 JCED COC(=O)[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](S)C(C)C)NC(=O)OC(C)(C)C 1793387579 HAUXASHINUFYKQ-JAPOXJDPSA-N 487.619 0.987 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccnc2C(N)=O)N(C(=O)OC(C)(C)C)C1 1794270720 LTHJBWBFRUUZLC-NBMJBFSESA-N 499.568 0.949 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)c2n1 1795421658 REROHYFVMNGUED-XOIINTDNSA-N 484.517 0.020 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3c(O)nnc3O)cc2)c1 1798598753 GGCIZMRXJFQBEJ-JLVBRIDZSA-N 463.454 0.395 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c(C#N)c1 1799237242 DMHABSQPKWERSX-VPTLXERWSA-N 499.549 0.164 30 20 JCED C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1ccccc1C#N)NC(=O)OC(C)(C)C)C2 1800746746 DOCZWUMOBNCUSZ-JDCPMNFLSA-N 486.569 0.964 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801732542 XRJWQXSAXPFJRK-RDGPPVDQSA-N 468.595 0.381 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2)NC(=O)OC(C)(C)C 1801930752 VYHMNTSCUWSSBP-QOIOWGMHSA-N 452.552 0.701 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1802140943 ZJQVAPBGPJZPAZ-PQTWZCJSSA-N 476.574 0.572 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802226103 JZVNHFATQDJNNY-QKPAOTATSA-N 485.559 0.041 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1803507570 SCMDIFMKOFSYMR-YVWKXTFCSA-N 480.587 0.925 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1807151675 WTACZYCKARUROC-RXVVDRJESA-N 451.531 0.626 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810093530 GPJNRZRIUQPNFN-URXVZLIESA-N 477.518 0.681 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810246111 SJPLAVLBOLGWLI-NPPFBWRTSA-N 454.527 0.976 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1811720964 HULQGSSACGITKZ-QRWLVFNGSA-N 487.455 0.852 30 20 JCED Cc1cn(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=N/O[C@H]4CCCCO4)sc3C2)c(=O)nc1O 1819908038 VQSBYKLJTODHBK-JQGNUACPSA-N 490.542 0.855 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)nc3cccnn23)n[nH]1 1820145111 GJSPLICJIWHHMU-QWGSZXSUSA-N 476.497 0.977 30 20 JCED CNC(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828575007 GPVFSCAKWZLYOA-RUZDIDTESA-N 466.538 0.988 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)NC)CCN2C(=O)OCc2ccccc2)C1 1828575020 GUYYDASVPDEMMM-UQBPGWFLSA-N 484.553 0.613 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CSCC(=O)OC)CCN2C(=O)OCc1ccccc1 1828585332 SZJQJFQGOSTDSR-HSZRJFAPSA-N 473.551 0.978 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)CC1 1828950258 FDFOGDXTVZLPOY-JUJZYJCFSA-N 477.558 0.959 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)CCC1 1829453319 ONZMQKCKMPLPGH-WOVHNISZSA-N 495.580 0.855 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1829766099 LQJARJCPPKOGDI-FUMRIQNTSA-N 453.499 0.263 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(F)c3F)C2)C1 1829771306 QJSUOFPGEWLYQQ-FUMRIQNTSA-N 463.481 0.822 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)c(O)n1 1830041264 IHVNEKRYAJXWBK-HSZRJFAPSA-N 475.546 0.247 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1831396683 PHPOLBSTFLJLIB-VAVFSKGYSA-N 453.495 0.517 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1831426036 FFBHYBDMQBPINN-HXOBKFHXSA-N 467.563 0.901 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1831495751 LHXKWPUQAVGZEA-ZJBJCVSYSA-N 464.588 0.611 30 20 JCED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)c1=O 1831891008 RCYFVIJEDLDKKF-QHCPKHFHSA-N 454.458 0.780 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832250561 BUPVIKTUZIQION-GKBNZUOUSA-N 499.414 0.327 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3COc4ccccc4O3)CCO2)C1 1832497586 POQRHFTZNGLRLJ-SKPFHBQLSA-N 460.527 0.856 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnnn2C)CCO3)c(O)n1 1833225164 GAAKUXFNTMALBI-QFIPXVFZSA-N 456.503 0.418 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833280823 KHIMIEXVFKVTQY-DVECYGJZSA-N 488.541 0.307 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c(O)n1 1833698393 GURXNMZXZKQRLU-NRFANRHFSA-N 463.560 0.602 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)CCO3)C2)CCC1 1833725753 PEEQJBDZUISUCY-VWLOTQADSA-N 496.568 0.172 30 20 JCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)cn1 1834530521 FYOGUTHDSCMVNS-JOCHJYFZSA-N 455.446 0.880 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(C)(C)O)CCO2)C1 1835271493 JMQCUJNVLSYGRO-UZUQRXQVSA-N 467.563 0.520 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1836376669 KSUINXOUBFRUMF-JOCHJYFZSA-N 475.678 0.911 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CCC(C(=O)OC)(CC1)CC3)CCO2 1836705952 FEQPBTRRBHBFJY-QNLJNHSHSA-N 476.570 0.995 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)CC1 1836860148 XRVVTDPLXVXRHA-KRWDZBQOSA-N 460.531 0.294 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1837446693 MOTRXKMCICNYSF-MFTBFKHKSA-N 482.585 0.681 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1837493427 FCVYLEJFVORSKV-CLOONOSVSA-N 470.570 0.670 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524865 ICMVGOKXLMBZTO-TUNPYTPMSA-N 452.552 0.456 30 20 JCED CN1CCN(CCC(=O)N2CCC(OC3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)CC1 1837806912 QFLBFBBMECGFPE-UHFFFAOYSA-N 476.666 0.904 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1838023002 XOCIVQHWVQRQMZ-UHFFFAOYSA-N 497.556 0.123 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839079129 ALGWCTZNKNHTTL-GSRZOBFVSA-N 496.605 0.025 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)CCO2 1839085512 IWHOLTAYUWAQTG-QDGJQWLKSA-N 485.603 0.540 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4)C3)C2)c(C#N)c1 1839131618 NXZDOJZGCZNAEN-QHCPKHFHSA-N 451.483 0.670 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1 1839190966 NRCKJNFBFYFDFF-YKSBVNFPSA-N 475.542 0.960 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)cc1 1839363795 UVXRZCQWQHOWDK-XMMPIXPASA-N 495.492 0.593 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419746 SSLZOABHKGIWFX-YCRPNKLZSA-N 482.534 0.095 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1839453703 ZDDPMEMRPYBPDK-DEOSSOPVSA-N 495.492 0.707 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1)c1ccccc1 1839663813 PSCVGKUFAMDSSN-ATIYNZHBSA-N 478.549 0.897 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1)c1ccc(O)cc1 1839860611 CUVQCCKDNLSZIN-YKSBVNFPSA-N 457.527 0.482 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1)C(F)(F)F 1839893212 RQTLGFDKEWFPTL-SFHVURJKSA-N 460.409 0.288 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(Cl)c1 1840041102 QPIMQLBANOBFKY-OAQYLSRUSA-N 450.875 0.436 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cc(Br)ccn4n3)C2)C1 1840042139 CRBNJSBBQSIHNM-FQEVSTJZSA-N 491.298 0.255 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2)c1cccs1 1840104790 BMWWVJWZXGFETR-YQTDCCHMSA-N 475.567 0.956 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840289891 QBMRSQAIDOTDID-QZTZHPFYSA-N 493.557 0.407 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1840296136 VWAUIGFVDZWWHF-UUOWRZLLSA-N 494.589 0.405 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn1 1840813464 ARKQKSUNGGQCFS-QFIPXVFZSA-N 476.555 0.390 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813758 UAPFVDZHZYCZDI-UZUQRXQVSA-N 480.562 0.676 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818924 GAWZYRDFAVFDPA-XMMPIXPASA-N 469.542 0.675 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840842142 PWDMQJVLOYZCLP-MBSDFSHPSA-N 465.547 0.492 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1840845489 YZTHDUYBABJRFA-ZJSXRUAMSA-N 459.518 0.743 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1840912569 LYTJQWLGGDBUAS-UZFJHSOTSA-N 490.561 0.355 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)n[nH]1)C2 1844215562 TVVWOKNKMYEEMW-OAHLLOKOSA-N 492.533 0.738 30 20 JCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCCNc2ncccc2C#N)c1OC 107657034 PTAIZEBPWWXMFF-UHFFFAOYSA-N 475.527 0.833 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(Cn4cncn4)c3)CC2)cc1 517113600 RSLNFBIQYFCAMW-UHFFFAOYSA-N 479.522 0.670 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OCC(F)(F)F)cc2)c1=O 520065467 CVDWZOHFLKUGTD-UHFFFAOYSA-N 496.511 0.339 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(-c2ccc(C(N)=O)cc2)c1=O 522539843 BKAIPEMZAVGSTQ-UHFFFAOYSA-N 471.502 0.268 30 20 JCED COc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1OCC(N)=O 523233135 KIHFWIKOGLHKDB-UHFFFAOYSA-N 455.446 0.857 30 20 JCED COc1ccc(Cn2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)cc1 603552735 YJOLASFJRSQSGB-UHFFFAOYSA-N 465.535 0.062 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(=O)N(C)C 604472829 AQQHTMCIGKUXMG-UHFFFAOYSA-N 456.568 0.813 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCS(C)(=O)=O 729671381 LIKCQSMHDHIHSG-UHFFFAOYSA-N 469.947 0.552 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCOC)c1=O 748784065 CVBIUAXJUGIAGF-UHFFFAOYSA-N 472.523 0.989 30 20 JCED O=C1Nc2c(I)cccc2C1=NNC(=S)NCCN1CCOCC1 750918806 PIIYIHATKHRTIF-UHFFFAOYSA-N 459.313 0.744 30 20 JCED C#CCNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 852996882 ISJIYRHWISBCTF-OAHLLOKOSA-N 450.513 0.945 30 20 JCED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1COc2ccccc2O1 916420585 PFEUETXXFDBXNW-CQSZACIVSA-N 459.480 0.615 30 20 JCED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 917027663 LRAXHVZLGRVWRZ-QGZVFWFLSA-N 495.631 0.637 30 20 JCED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917769246 YRISGSUGMGZJKS-UHFFFAOYSA-N 455.540 0.920 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1 918278159 QSUMVMHVMOGERH-LYBHJNIJSA-N 465.576 0.667 30 20 JCED COC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918456427 PROWUKQYPBZEOU-LTGZKZEYSA-N 451.505 0.349 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1137629996 JVFLLTTVAOEGKD-ZBFHGGJFSA-N 456.590 0.824 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1150969121 VFZRWBDEQCLFHM-ZBFHGGJFSA-N 456.590 0.682 30 20 JCED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H](C)O1 1555406510 TUMILZDPGVXPFL-XLIONFOSSA-N 470.530 0.828 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1710347414 REIXZNNXGROSCT-GOSISDBHSA-N 457.560 0.861 30 20 JCED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1729745351 OHRGFHSLNIWLKT-UHFFFAOYSA-N 457.560 0.990 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740804104 YQFIXYICJNNPBB-GFCCVEGCSA-N 455.006 0.501 30 20 JCED C[C@@H]1CN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1743341066 OQUQLPYOJMBCIL-QWFCFKBJSA-N 495.650 0.850 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760365922 MFRLJQJRXHWEPR-GFCCVEGCSA-N 455.006 0.406 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1778999746 KZNJSYBHEGOSAB-JOCHJYFZSA-N 470.606 0.912 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1)c1ccccc1 1779189697 WNUIDLYDOUVAGR-WIOPSUGQSA-N 457.571 0.300 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2 1780803207 ALOMIMLTONYPEL-WAOWUJCRSA-N 472.608 0.727 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1780803755 LBPSBSKELFRELH-UVELEOGVSA-N 474.562 0.910 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)Cc5ccc(C#N)cc5)CCO4)C3)CC2)CC1 1781106120 OGIDJLBWLAXODV-DEOSSOPVSA-N 451.571 0.711 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)CC1 1781170186 UUWFONOIZLYDRN-QFIPXVFZSA-N 494.618 0.984 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781337128 OUGOFIDRCVBBHR-YVHKJVDXSA-N 453.536 0.130 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccccc1I)CCO2 1783558497 QYETZZUCLSBGKN-IBGZPJMESA-N 482.274 0.752 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nn(-c3ccccc3)c3c1COC3)CCO2 1783562090 BLFDOTMTJMAVHZ-HSZRJFAPSA-N 450.451 0.434 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C(C)=O)CC1)CCO2)c1ccc(O)cc1 1784013292 UPTBYLICGJIQBP-WNCULLNHSA-N 496.608 0.883 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1784446468 STPOVNBZAGNUFX-QQDKQVRDSA-N 480.562 0.547 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccc4n(C)c3=O)C[C@@H]21 1784484556 XAJWNBCHADXIEB-YLAKUSLOSA-N 452.511 0.565 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C[C@@H]21 1784502934 LBFJAQTTXRYRGW-UHMOLFJZSA-N 465.572 0.811 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2)NC(=O)OC(C)(C)C 1785302370 QHPHWYIEPSGFAU-HJPURHCSSA-N 493.561 0.228 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786800977 IFJJKCLCNHSSIG-VJANTYMQSA-N 450.656 0.610 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cncn4)[C@H]3C2)c(C(F)(F)F)n1 1787085629 WFUPZJUUVBMESN-RCBQFDQVSA-N 463.420 0.857 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)n4)C[C@@H]32)ccc1F 1789906581 MDUOKAQKDOWJEO-YEWWUXTCSA-N 455.446 0.735 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C34CN(C(=O)OC(C)(C)C)C4)C[C@@H]21 1790793402 DNMKFRDGVYAJLO-FJIDUMEYSA-N 495.598 0.024 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(C)=O)C[C@@H]21 1791258715 YQCRAYIDLQHOKP-XSLAGTTESA-N 468.551 0.792 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1793347368 BPNCJLJYADHXFS-YHDCXSKOSA-N 491.585 0.640 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1793592201 AIZUXUWFQWEEFO-KYHPRHEASA-N 467.567 0.317 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1793593966 YSJQCYQJVFBPFR-UJHHCITNSA-N 452.552 0.557 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc[n+]([O-])c1 1794248295 KBTONCSZYHAUDU-RDGPPVDQSA-N 460.531 0.993 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O 1794356188 MMLWRLQOXYZVJL-RCJHGTSTSA-N 476.530 0.758 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(C(F)(F)F)cn2n1 1795969845 ZSISOZGQPDAAIC-KUIZXIRVSA-N 492.458 0.810 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1797121604 QYLPKEWGBBTTJF-KYHREEPGSA-N 463.575 0.997 30 20 JCED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1Cl 1799302754 NZOLFNRHOLKSNE-CLLJXQQHSA-N 452.862 0.903 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1799332116 PNOFYGDIYPJTFT-ZFVIQDPVSA-N 498.580 0.973 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1799334930 ZUAQPKDHXKOCMW-WXOXAHCZSA-N 484.553 0.583 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800199968 VLRJCCFMTHOPLK-BMQTXXJKSA-N 489.573 0.692 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)C1 1801979083 CGRFKRVRPYJMGF-MHORFTMASA-N 462.547 0.906 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1cccnc1 1804229822 ROUKMCSJXQIWIP-SBUREZEXSA-N 474.473 0.862 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)cc1 1807019765 XRAKOVMYZXXZFR-SIKLNZKXSA-N 471.454 0.927 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1807149538 IELSKBCSJLJUIA-UTKZUKDTSA-N 452.515 0.294 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1808452948 WANHHPUXNXGEPC-LPHOPBHVSA-N 460.487 0.140 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c(C#N)c1 1810352712 YUFGJFXUPUAIQK-UGIARPQZSA-N 493.564 0.861 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(O)O)CCN3C(=O)OCc2ccccc2)c1 1828523114 VLJHLEYAHQAWAN-HSZRJFAPSA-N 467.482 0.263 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1828922640 ONGQBCLPWKFLEC-UUOWRZLLSA-N 496.524 0.340 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)no1 1829628161 LLEAZNVXWQJAKX-QHCPKHFHSA-N 453.499 0.881 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(F)c3)C2)C1 1829763009 XWKWPYOULJKGEK-KSEXMQBYSA-N 461.490 0.763 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1829763849 DWHVDEGRSHUVHJ-WNWNSBFKSA-N 498.515 0.335 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1830460436 KWHSVHMKZSBFCY-HSZRJFAPSA-N 467.530 0.280 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)[C@H](F)C1 1831135627 HSTYPUBMNUHGNF-YVHKJVDXSA-N 468.526 0.952 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)C2)C1 1831392130 JHVIKHAVEMIKSV-HOYKHHGWSA-N 479.574 0.738 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831392332 KEDUPMXZPXTWGZ-YDIMBITNSA-N 479.574 0.738 30 20 JCED Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831876319 MDVPQHSHXSPQQL-HSZRJFAPSA-N 463.498 0.860 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1831997635 DRWHOYJYWDRVST-PONJGIIJSA-N 482.534 0.021 30 20 JCED C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1)C(F)(F)F 1832149582 AFSPVNPIDUHVNS-QWHCGFSZSA-N 484.321 0.111 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1832457540 TYNHCVHKPQRUEN-OAQYLSRUSA-N 461.544 0.320 30 20 JCED COc1nn(C)cc1C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1834080437 NHEAEXLBDJRUJZ-UHFFFAOYSA-N 459.595 0.896 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OC)c(C)c1)CCO2 1834574332 BVQUYRBCOPSBFT-UZQCKINESA-N 458.515 0.327 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC)CCO2)C1 1834813152 NAWRGYYCODFIFA-HXOBKFHXSA-N 498.577 0.658 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1835170221 UESHEVVCYARLQV-PPIYXURKSA-N 489.525 0.943 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(=O)(=O)c3ccc(C)cc3)CCO2)C1 1835183814 JNTLXBNHRIMOQK-AUSIDOKSSA-N 480.583 0.816 30 20 JCED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](S)C(C)C)CC3)CC2)CC1 1835510613 UTDSLDBQXUZJRP-QFIPXVFZSA-N 467.680 0.677 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3COc4ccccc4O3)C2)C1 1835675310 MZIFEPYQCSDFDV-DFBJGRDBSA-N 486.569 0.955 30 20 JCED COC(=O)CSCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835766245 ZPJXKQUZMJTBIJ-ZZAWEDPDSA-N 484.619 0.993 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)CCCC#C[Si](C)(C)C)CCO3)C2)CC1 1837430708 ZYWHSWLRKDGXIA-DEOSSOPVSA-N 478.710 0.741 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837462876 UVDYVPJPAHZLHW-QFIPXVFZSA-N 479.002 0.632 30 20 JCED N[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1cccnc1 1837489521 KQZWDFQOMHUPAF-SQJMNOBHSA-N 470.570 0.627 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1837524313 FFRNGAADGFYLEK-BIWNCCMMSA-N 455.405 0.872 30 20 JCED CCn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc1C 1837531759 WCZUEOUZJMQEEK-JPHKLTHBSA-N 463.535 0.810 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccccc1=O 1837564422 NGVHAWXKWYYXEA-ISCKSEBJSA-N 456.499 0.578 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837924114 KSYUSSRWCLVOLF-XXZIPLLVSA-N 467.910 0.729 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839163732 PTQMNYNFFGDQAD-YDIMBITNSA-N 494.589 0.274 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCO2)C1 1839481856 BSUUGQOFRURBOW-QRQCRPRQSA-N 471.470 0.579 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](N)c5ccccn5)C4)C3)c2c1 1839488077 VXWGCFXYHBDZSE-YKSBVNFPSA-N 475.509 0.600 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)COc1ccc3scnc3c1)CCO2 1839723944 ZZHNAIRBJYRILL-HSZRJFAPSA-N 486.550 0.271 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(CC)COC1)CCO2 1839779839 QNBNRMWHMHJVEL-UUOWRZLLSA-N 479.574 0.786 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1OC[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840016805 YKIOIOFBYFUXHR-UVPKRVSESA-N 491.585 0.738 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1840108006 CHCIRKXGWJAZOZ-HOOSLVGPSA-N 494.589 0.438 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840142592 SXZIUYODBGCRSS-FYNVVKEXSA-N 476.574 0.670 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@@]3(C1)CN(C(=O)[C@@H](C)S)CCO3)C2 1840163751 NSNIKXJBYWZQPN-VVBPWWLESA-N 480.587 0.397 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1840176505 DXLMSGIRCBIPSV-RPWUZVMVSA-N 473.526 0.563 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840289946 RGRHRHRCUDFQHJ-OPAMFIHVSA-N 464.519 0.673 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c(O)n1 1840408809 XIXBLZFJQQZXBQ-XMMPIXPASA-N 483.525 0.845 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CC[C@H]1CCOC1)CCO2 1840589095 YVCMTXXCGKQJIE-DVKIFHDUSA-N 453.536 0.789 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3c[nH]c4ncccc34)CCO2)C1 1840869883 YMRWFJQCLBFIQW-HOYKHHGWSA-N 454.527 0.990 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1 1840908685 GHTBOLHZFPVDPG-MSHBGSJOSA-N 499.630 0.518 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1841475977 RPQXRIZTZSZBGU-QGZVFWFLSA-N 458.515 0.508 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1841745923 UIPMSPFKGLOHHL-JKSUJKDBSA-N 472.608 0.987 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@H](NC)C(=O)O)C1 1842954055 RSUIKYZDADQIBK-ZCCHDVMBSA-N 450.536 0.722 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 18447236 VYDGCNNPMZPOHZ-GOEBONIOSA-N 458.558 0.732 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc(Br)c1O 436799735 ZGSOQFHDQXOOTN-LBPRGKRZSA-N 494.367 0.722 30 20 JCED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 514915143 YVWQXZVWSXFSEZ-UHFFFAOYSA-N 474.564 0.933 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C(=O)CN(C)C)CC3)nnc12 516390412 OWQAMFOKJAJKSL-UHFFFAOYSA-N 469.571 0.555 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cccc([N+](=O)[O-])c3)c2=O)cn1 522383193 IXDZLBJATAZZAD-UHFFFAOYSA-N 450.480 0.805 30 20 JCED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 523244612 YZCUVFDRRWCZCC-QHCPKHFHSA-N 489.532 0.860 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(C(N)=O)cc1 523256848 XTOXGEKSJHLKSS-UHFFFAOYSA-N 452.492 0.247 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(C(N)=O)cc1 608828575 CFTPGBOTGNGPOP-UHFFFAOYSA-N 490.541 0.198 30 20 JCED Cc1ccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1S(=O)(=O)NCC#N 608869526 UBQNGWNTGQMMBF-UHFFFAOYSA-N 469.523 0.299 30 20 JCED COC(=O)c1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)oc1C 726577339 OLGPJVXNDAKYER-UHFFFAOYSA-N 484.515 0.320 30 20 JCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 728570444 CQVHDAZCKQYZJR-SFHVURJKSA-N 451.527 0.904 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(=O)OCC(=O)NCC#N)CC2)cc1 731233068 DECOVGDDRIXLBN-UHFFFAOYSA-N 484.534 0.938 30 20 JCED C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 811679855 GTMXPYAAJZPVOC-XCLFUZPHSA-N 450.517 0.407 30 20 JCED C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1sc2c(c1C#N)CCC2 824399011 RETGMQQKOSLREB-SNVBAGLBSA-N 456.484 0.426 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCC[C@@H](NC(C)=O)C1 919016877 UJFFHWUDROHYFA-OSPHWJPCSA-N 468.510 0.822 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 919315072 AJGOZTQBZSZTOQ-MAUKXSAKSA-N 470.569 0.830 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1295084403 RKWUUNVNCXKGBA-UHFFFAOYSA-N 455.519 0.678 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301042028 PHWUQFJDEKJZQG-ZDUSSCGKSA-N 452.002 0.793 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(-c4cccnc4)n3CC(=O)NCC(F)F)CC2)c1C#N 1304731306 OMJMLBGAEXRGGH-UHFFFAOYSA-N 470.488 0.962 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1313951784 WGDGCVDGXPPRLK-ROUUACIJSA-N 466.656 0.902 30 20 JCED COCC[C@@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1504749000 KNMVDQLKFJOSPQ-LAUBAEHRSA-N 478.575 0.712 30 20 JCED C[C@H]1C[C@@H](C)CN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1512007974 UCUQICQZYKRINK-ZGXWSNOMSA-N 495.650 0.708 30 20 JCED COC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)OC 1555257055 VATHGVIQGDWLPT-IAGOWNOFSA-N 456.569 0.402 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-n2cccn2)cc1 1692801805 NGMFLFBSKGTLGT-YJBOKZPZSA-N 456.532 0.851 30 20 JCED C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1708262810 JKFBIJQEAOWOMD-QGZVFWFLSA-N 459.576 0.619 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1712099712 WDLQVUFVXKEUFL-CEXWTWQISA-N 482.607 0.793 30 20 JCED CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1729673009 OEFUBOPLRYPLGD-UHFFFAOYSA-N 457.560 0.815 30 20 JCED CCC(CC)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)OC 1743974758 MDVSYSZKOHYDEO-HOTGVXAUSA-N 456.569 0.545 30 20 JCED CN(C)C(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747534167 RTRSNNZFBMKKMZ-UHFFFAOYSA-N 474.529 0.997 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1760589882 KVTJBNQPVIVDGA-HHXXYDBFSA-N 478.623 0.323 30 20 JCED CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1764541483 WQOPDKLENXHYDO-UHFFFAOYSA-N 452.563 0.943 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1=O 1769897151 YIZIRVJOEPFZAN-UHFFFAOYSA-N 472.571 0.937 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)n4[nH]nnc4n3)C2)cc1 1777820798 VPVLFCLBFDWOSJ-NTKDMRAZSA-N 490.524 0.445 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)C1 1778082563 UTGQZHMTKANZHH-WUNAQJDXSA-N 466.604 0.876 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1778090336 PVGTXDSWEQXISJ-RWTMDTCBSA-N 480.587 0.638 30 20 JCED O=C1COc2ccc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)cc2N1 1779103312 SDSMSMSAXMCAGQ-VWFXZRFKSA-N 472.498 0.990 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](COC)NC(C)=O)C3)C2)c(O)n1 1779312250 XPHOPGKMPQWQMU-XXBNENTESA-N 460.531 0.500 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2 1779365573 ANYNYPJGADCYDP-YIHVMRBGSA-N 460.535 0.547 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780188388 VHWAWMCMGIQUQM-XOBRGWDASA-N 468.963 0.983 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)c(C#N)c1 1781176202 XXTQCNRHHACMSJ-QFIPXVFZSA-N 488.591 0.800 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781560382 FNLLXVJPZREZIZ-YZZKKUAISA-N 476.530 0.844 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)ccc1F 1782788419 WACKRZZXBMMVTD-HSZRJFAPSA-N 483.456 0.840 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C[C@@H]21 1784484322 UJEGUUIKEVVMEY-SSFAQJFESA-N 493.601 0.622 30 20 JCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1785017074 WFGQLZKTSFYPBM-XIRDDKMYSA-N 464.613 0.790 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1785518074 YVQBQNNEXIFDLA-NYHFZMIOSA-N 466.535 0.822 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788639411 BFDQVAHBRPRLQU-VPAKFMSCSA-N 454.520 0.034 30 20 JCED CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(F)c(C#N)c4)[C@H]3C2)CC1 1789906833 NXYFVEQMCDIFQP-VCOUNFBDSA-N 457.550 0.467 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C[C@@H]21 1790878798 JYVPYIHCXVAKEC-OWLYRPNTSA-N 453.490 0.648 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1791143034 LCBAGNPRUJPIIO-ZJOUEHCJSA-N 478.546 0.176 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791690658 ZIOLYRQLJMAEJY-ATIWLJMLSA-N 475.550 0.130 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1792269288 ZULOEDPINCUAHE-ATIWLJMLSA-N 463.531 0.748 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1793088224 ZNUWRTWBYMZONN-RFXPCRSYSA-N 463.531 0.193 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1793340169 OCWBVFPOEAINJB-OOKASCOQSA-N 499.630 0.276 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C 1794570973 BZTFHEFBHIZJIB-IYWMVGAKSA-N 482.541 0.889 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3nc[nH]c3[N+](=O)[O-])c2c1 1796404984 UEIQAYGIKPRPRZ-JJLQDPRZSA-N 450.415 0.583 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1)c1ccccc1 1797803213 QFZGLDKNVPURKT-AXCBGKTRSA-N 455.555 0.424 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)C1 1799199326 YFLZMRWZBXQAEN-AIDNLNPPSA-N 483.565 0.856 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1799304861 CWFBLLOPYHXQBK-FEJSZKPUSA-N 497.552 0.592 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOCCOC 1799382680 GCECHTLBJCMNFZ-JHDGKUDLSA-N 454.564 0.466 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O 1800540880 BLNXVFPONRNJFG-ADYITMSISA-N 486.569 0.973 30 20 JCED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CCC1 1801447209 KYQUMVFOPXTEHI-BQJWPVKWSA-N 459.572 0.499 30 20 JCED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2)C(F)(F)F 1801704021 XKJBKGPTHHEWKT-AIEDFZFUSA-N 474.505 0.923 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(N)=O)NC(=O)OC(C)(C)C 1802165690 RNRZEPDUBSJDEA-KRXQYRFLSA-N 453.540 0.104 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1808439219 JMYFQINRBAWLFI-KXBFYZLASA-N 480.485 0.037 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)CS(C)(=O)=O)n[nH]1 1815225118 NJTGBVWHXHCLKJ-LRPNZCEASA-N 451.549 0.941 30 20 JCED CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1)C(=O)C(=O)O 1819908588 WCTGUQCIWSBJIE-YWZYAFGCSA-N 467.504 0.127 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)[nH]n1 1823521760 UGNBHUOXIGNYOE-YQQAZPJKSA-N 489.577 0.911 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1829330248 DLBBUTHQCRUPLD-VWLOTQADSA-N 463.490 0.940 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCSCC4)CCO3)C2)c1 1829714886 IFZKCUYQVVYIJG-HSZRJFAPSA-N 458.584 0.986 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1829776759 GUPGCBFGTDNVRQ-LGPHYQMPSA-N 487.509 0.131 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)cn2[nH]cnc(=O)c12 1829903808 DDLOJEASRWUKJE-VWLOTQADSA-N 490.520 0.515 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H]3CCC(=O)NC3)CCO4)c2c1 1829961562 UJIIZGIXYNYXHJ-QMHKHESXSA-N 466.498 0.031 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830575710 HYXVUSSZSNCKKE-JKIXTWFVSA-N 467.563 0.683 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831225768 ZLIVGIIVNUUERJ-DNQXCXABSA-N 477.558 0.228 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831392327 KEDUPMXZPXTWGZ-IECBHUPTSA-N 479.574 0.738 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(NC(C)=O)cc3)C2)C1 1831392737 NJTPUWKHVYYMEV-KOSHJBKYSA-N 457.527 0.682 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1831402493 ISOUKJSKDNMSBK-YBGOQADZSA-N 489.544 0.368 30 20 JCED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CCC1=O 1832379725 BMMISGPLWXHTTB-QHCPKHFHSA-N 471.489 0.304 30 20 JCED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)no1 1832931730 ZGTPKSJGRAPJNP-JOCHJYFZSA-N 457.462 0.630 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833025524 CQSJTZQWUGZYCX-SIBVEZHUSA-N 492.532 0.501 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833270903 SAXUCHOJSFKMBF-DVECYGJZSA-N 490.557 0.859 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834401394 HUXACMGQPATDRX-GAJHUEQPSA-N 475.546 0.407 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1 1834544589 BGXZWCLEGWNCDO-UHFFFAOYSA-N 475.567 0.428 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CC(F)(F)C(=O)O)CC2)CC1 1834715143 DOCSNXYPDFYRQF-UHFFFAOYSA-N 457.522 0.950 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1834715470 HKMMTFRYJJOITF-UHFFFAOYSA-N 472.590 0.155 30 20 JCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)[C@H]1SC(=N)NC1=O 1835112821 VYPNHSNVOMROQI-PUCKVZIYSA-N 491.662 0.832 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836377828 AIPOHEBODFARCM-NRFANRHFSA-N 464.544 0.246 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836378522 LTVSSDALEREGRX-HTAPYJJXSA-N 481.571 0.287 30 20 JCED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837242958 BZRQEHBSMUYGHT-JCOAXYOVSA-N 451.520 0.926 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1837394842 KLUOIJUBZMWALU-RDPSFJRHSA-N 469.542 0.910 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1837397852 WUVBYSVEIGQKFV-YKSBVNFPSA-N 460.527 0.987 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837400599 IINFHHAVDOGUOE-WZONZLPQSA-N 457.531 0.301 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837528633 LVQJJQBQIYIYIR-CMDUZHOASA-N 495.602 0.937 30 20 JCED Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837532345 BMZKUQHWTRCRTP-NAKOXXRASA-N 463.535 0.738 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733188 SCKQGAMKOHAWLJ-MBSDFSHPSA-N 473.530 0.966 30 20 JCED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)c1OC 1838841473 YBKALZROLWTUBF-ZHRRBRCNSA-N 464.519 0.970 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839100829 XYGQFPIXTRSDHL-OFNKIYASSA-N 452.596 0.062 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccnc4C)C3)C2)c(C#N)c1 1839132967 VEGGHNZNTJIKDW-DEOSSOPVSA-N 465.510 0.978 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839204606 FILCTMOALDQPCQ-IIBYNOLFSA-N 454.524 0.022 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839224487 KGFKHPHZIMFKGG-IERDGZPVSA-N 465.507 0.569 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)ccc(OC)c3OC)CCO2)C1 1839374374 USCOPQFEGRBSIR-MWTRTKDXSA-N 464.490 0.951 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cc5cnccn5)C4)C3)c2c1 1839485950 DXDBVYPIRBNCGG-HSZRJFAPSA-N 461.482 0.537 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839498730 OPIQUAFJQPXWFX-COQMUBBDSA-N 471.514 0.933 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839513087 WGQQZYJKVIBSTG-HJPURHCSSA-N 454.483 0.444 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839514071 UEQMFKAPQVRCDF-DEOSSOPVSA-N 484.509 0.915 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839665959 HHRSKHKFMPWSOL-SIBVEZHUSA-N 491.548 0.771 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)CCO2)C1 1839787530 ZKPUKUMRRNGDSQ-OPAMFIHVSA-N 463.462 0.771 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840174451 FGAUJCCAGPGQJE-VXKWHMMOSA-N 453.536 0.703 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840177418 ZEZHNBXMOLBJTK-XZOQPEGZSA-N 459.499 0.173 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840906826 KJZICDNHUZPRPQ-HXOBKFHXSA-N 462.547 0.909 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)CCO2)C1 1840945107 MZPSCCRKPJILII-HXOBKFHXSA-N 499.580 0.975 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NS(=O)(=O)CC)C1 1841583540 ARHREIRVUSJEBD-HOTGVXAUSA-N 470.592 0.434 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cn1 1843216354 WUUVNHCWKOXBFC-DOUQRPAJSA-N 464.544 0.972 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1845132255 UHVRMIAYNDVQRC-UYAOXDASSA-N 478.590 0.537 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)c1 1845523478 SMALFRBPJKVVOF-RBUKOAKNSA-N 481.578 0.864 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845810175 LVJJOHQOIVQASF-GOSISDBHSA-N 486.525 0.604 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccsc2)c1=O 501770303 NZJRGEPHBXLRDD-OAHLLOKOSA-N 461.565 0.723 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)CC1 508381290 XKSWZILLSPTZBL-QZTJIDSGSA-N 489.554 0.325 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)cc2C)c1=O 523478093 ZIAAUCHBCOOSMH-UHFFFAOYSA-N 484.622 0.515 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCNS(C)(=O)=O 559447284 LGPHPIHEHIHEPN-UHFFFAOYSA-N 464.525 0.095 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cc(OC)c1OC 603795112 CNFUPTSPZDWTBD-UHFFFAOYSA-N 487.578 0.953 30 20 JCED COc1ccc(S(N)(=O)=O)cc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 793835449 USOSUBGMABVIRM-UHFFFAOYSA-N 452.514 0.800 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCNS(=O)(=O)Cc3ccccc3)CC2)cc1 916516069 CIKLDWRIDILWIO-UHFFFAOYSA-N 491.595 0.694 30 20 JCED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 917018350 LTZLXYDPPMFXQX-IBGZPJMESA-N 497.533 0.470 30 20 JCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2I)c1=O 917353095 HDFRBGWIJFMQTQ-UHFFFAOYSA-N 495.342 0.896 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCN(c2ncccn2)CC1 918107658 SAVOKIGXQIUTOE-UHFFFAOYSA-N 457.560 0.234 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1CCOCC1 1288862049 GZDRQVVPHHTENB-YJBOKZPZSA-N 451.597 0.882 30 20 JCED CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCO1 1468802121 MEEUZRUXFLXAIZ-AWEZNQCLSA-N 452.533 0.867 30 20 JCED COc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1OC 1518408097 YIRCKTPYWJGFRQ-ZFWWWQNUSA-N 450.521 0.683 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1593887204 XWNOSLKGIBYORG-MPGHIAIKSA-N 461.972 0.748 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCC[C@H](O)C2)C1 1620171097 SLEXRZAFSGVDSR-SQNIBIBYSA-N 452.581 0.902 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCCS2)C1 1750212090 YDJHBLYIKXDGMF-JYJNAYRXSA-N 456.594 0.625 30 20 JCED CC[C@H](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1763458581 WINOMZTYBNECJA-OJAHFUOMSA-N 495.650 0.849 30 20 JCED COc1cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)ccc1OCCO 1769857971 KUZYQNORPXJTQQ-QGZVFWFLSA-N 456.503 0.557 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1778288563 AOCJTLBYZPZWOM-SBUREZEXSA-N 463.531 0.942 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)NCc1ccco1 1779064495 BIYWBKIDIKBCMV-NPJCXYKHSA-N 469.538 0.981 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1780738403 AJHWFWTYYKIQCE-RGZWJVDOSA-N 487.557 0.618 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781169408 OICFMCLUFMCALW-WZONZLPQSA-N 474.562 0.805 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1781399464 CVCYXKMQMZBEAA-MHECFPHRSA-N 499.572 0.810 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783605558 YQRPHOFDTJBDJF-VNYTWHDVSA-N 472.542 0.924 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)C1 1783768421 MDQUVCAOFCESPX-MCFFVMPBSA-N 484.550 0.350 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)NC(=O)OC(C)(C)C 1783786828 GAXOQMCWQSYIOG-VFNWGFHPSA-N 452.508 0.576 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783899941 INMBWHHNRSBHIJ-GXZWQRSESA-N 487.623 0.476 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CC(N)=O)[C@H]2C1 1784604450 LJUYBCSAHAOQOI-FPSMNIFISA-N 464.563 0.394 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787500835 SVLJUYZQAAOYBC-CAXGVCPASA-N 455.540 0.954 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601025 UBKWWMBZLGMFIF-SDIJGJKUSA-N 471.562 0.046 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788706097 KRUUQEMYYBRSMZ-JKQORVJESA-N 451.474 0.786 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(C)C(=O)CC4)C[C@@H]32)c(C#N)c1 1789840020 IAJLYDBVEUTGJK-LRQRDZAKSA-N 467.526 0.697 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789904529 WTRYAEFZSDZKBX-FJIDUMEYSA-N 463.531 0.914 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790174097 VSMZOYKTXNHRNN-BOSXTWCSSA-N 455.552 0.792 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Br)c(O)cc3F)C[C@@H]21 1791078833 AUHSKSGVSNFWCH-PKWAYOAASA-N 469.263 0.975 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)c3ccn(C)c13)C2 1792490354 XNXXBMKBROMXED-CXMDPZGFSA-N 453.499 0.341 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(OC)c(OC)c(OC)c1 1793660866 BHTCPLPQRFDHFF-YDGKCNFYSA-N 460.527 0.883 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)C=CC2=O)C3)c(C(F)(F)F)n1 1795996908 AKYSDGVOQOESCC-KSPBDQMDSA-N 477.399 0.100 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]1O2 1799152921 NOYHYJIXVWNRNO-CFIWVGBUSA-N 469.604 0.919 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1802124538 DZVGKJYXDCSNDZ-RCLSDMTESA-N 499.568 0.318 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C 1802139541 DHEUHCCTPDTBQG-YJDCLEDVSA-N 476.574 0.736 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808257288 SQVDNXJHNLVCLI-WFXMLNOXSA-N 486.525 0.811 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1808844883 ATQUMNJHACDHMO-UWWQBHOKSA-N 455.452 0.613 30 20 JCED C=C(C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1)C(F)(F)F 1812675573 SLVJBGLUIIJVSD-SJLPKXTDSA-N 474.505 0.936 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1814062377 GBBFMDBKLBPZRS-YDHSSHFGSA-N 464.526 0.631 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1814207718 KBHRRWKKOUFWEM-IRFCIJBXSA-N 497.600 0.844 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)[nH]n1 1814439061 YGDJEIJTPFEOAQ-JTHGQSKGSA-N 492.602 0.932 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN(CCO)CCO)[nH]n2)c1 1820208369 FIHPVSDPILPEIO-FQEVSTJZSA-N 470.530 0.882 30 20 JCED O=C(C#CC1CC1)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828571510 AJMVMZUXGHBSPY-XMMPIXPASA-N 477.525 0.539 30 20 JCED C=CCOCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1828583274 BOZMHBMBUHHLNQ-XMMPIXPASA-N 475.542 0.732 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCN2C(=O)OCc1ccccc1 1829211531 AZWFXCPPSQOCLL-LVXARBLLSA-N 481.597 0.708 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCN2C(=O)OCc1ccccc1 1829243673 DOYVLRMUNLRRID-XMMPIXPASA-N 486.525 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1829766402 WSUSHAADDQZBGI-XCFMPIOMSA-N 473.551 0.802 30 20 JCED O=C(O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)ncn1 1830465329 DAXLAHVTGWGYTR-HSZRJFAPSA-N 484.896 0.950 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 1830860625 OARIGGSBNYWILL-YZZKKUAISA-N 469.579 0.929 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1831997951 IURCAFJTEIXJJV-OPAMFIHVSA-N 463.535 0.949 30 20 JCED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CCC1=O 1832375040 PGUWLSHVWIETDC-YHCZKZFASA-N 474.539 0.552 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1833335638 UDSQRWFOABPFBD-QHCPKHFHSA-N 472.546 0.392 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833468677 UWYRSPLGYLZZBS-HSZRJFAPSA-N 471.897 0.861 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(OC)cc3F)CCO2)C1 1833631922 IDSLWDWUAWHVCL-JTSKRJEESA-N 451.495 0.872 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)CN5CC(=O)NC5=O)CC4)CC3)c2c1 1833713129 VFIDYYOYWYQADI-UHFFFAOYSA-N 492.540 0.172 30 20 JCED Cc1cc(Br)cnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834551258 SRSJAVDCWXRALK-IBGZPJMESA-N 466.288 0.311 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834590301 FMLAESJEDWYKPA-DVECYGJZSA-N 488.541 0.774 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835362685 RMUYNPVWUFOMDB-KSFYIVLOSA-N 482.534 0.203 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)[C@H](C1CCOCC1)CN3)CCO2 1835500269 OBGYAYZAFYUEQU-LVXARBLLSA-N 497.548 0.780 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835780259 VHURXKDBJKAQQR-GQBLCDNYSA-N 461.563 0.421 30 20 JCED CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)CC1 1836666671 UQFAGRXWAYBNIW-VWLOTQADSA-N 469.586 0.195 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)CCN4C(=O)C=CC4=O)CC3)CC2)c1 1836995692 IRMZYYYJZMWVIG-UHFFFAOYSA-N 453.499 0.814 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837382338 XJXGAOGJPLAWDJ-UZUQRXQVSA-N 457.531 0.530 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837399384 SDQSJBZMRWKVHN-SBUREZEXSA-N 462.547 0.568 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837440993 LDYJHEXLPZSKME-VWXZLZIGSA-N 450.927 0.672 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869193 FNJHJRCWRJUILG-KRWDZBQOSA-N 464.611 0.974 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(C)c1Cl)CCO2 1838310342 FZYPGODENBENGO-HXUWFJFHSA-N 454.911 0.653 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)c(C#N)c1 1839133241 GVCYCJLLTQWKSC-JOCHJYFZSA-N 486.554 0.476 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839209411 VIZCUEYUHNUGRR-ZJBJCVSYSA-N 489.635 0.673 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1839482144 MMYFMHATLRZYKJ-QFIPXVFZSA-N 453.455 0.955 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1)c1ccccc1 1839703358 DYBQOWOFHUWVRV-CJFMBICVSA-N 485.537 0.183 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1839840168 ZDHXOMRNLSAHND-HRAATJIYSA-N 451.545 0.767 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840142834 ZQXKOESONPXBOC-RLQCNVNWSA-N 493.557 0.727 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840157322 LFFAKDFFQBFXJT-CSODHUTKSA-N 485.628 0.437 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1840165624 DXVKQPKNXPVZAP-GXZWQRSESA-N 471.576 0.687 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1840550117 CNHNNQORSGBTOQ-HXUWFJFHSA-N 469.947 0.716 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1840882722 QQOUZADJEYMTDW-WZONZLPQSA-N 481.546 0.313 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843351488 XXNKBOMEZXDCQJ-RBUKOAKNSA-N 470.574 0.483 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)cc1 28635031 QSHDXMUWIURODD-UHFFFAOYSA-N 488.570 0.541 30 20 JCED COC(=O)Cc1c(C(=O)OC)sc2[nH]c(Cn3cc(C(=O)OC)cc(C#N)c3=O)nc(=O)c12 31806440 RAGGSQHBJBXMCI-UHFFFAOYSA-N 472.435 0.355 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2c(F)cccc2Cl)c1=O 480151314 GYOHQQJVISEGGF-UHFFFAOYSA-N 450.923 0.191 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(C)cc2)c1=O 501762388 NIPZKEMDDMEUPT-SFHVURJKSA-N 469.563 0.970 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cn1 507971067 WSPGJSRQPJCZLU-UHFFFAOYSA-N 464.525 0.810 30 20 JCED CC(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCN(C)CC1 514462283 WSUXKDFKLGISHW-FQEVSTJZSA-N 462.620 0.846 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1Cc1ccccc1 590975841 YUAMMHCKLJTTTO-UHFFFAOYSA-N 493.541 0.961 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)c(Cl)c1 604270102 FMNGEKQNBBBZQM-UHFFFAOYSA-N 476.986 0.935 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(=O)N(C)C 604472888 VYKLQFVPKVGXMA-UHFFFAOYSA-N 466.922 0.056 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(OC)nc1 608884443 RVKYPRGHUUMYSF-UHFFFAOYSA-N 478.530 0.503 30 20 JCED CC(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 729885233 VCSBMRODLANPRQ-CLCOLTQESA-N 463.560 0.813 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OCCO2 839371702 XRLOAFSKGJTUNS-UHFFFAOYSA-N 495.561 0.450 30 20 JCED CS(=O)(=O)NC1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 861104057 ADFYUBHDVNOJEJ-UHFFFAOYSA-N 456.590 0.874 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1286620589 PDFDOIDCBBPSTO-CYBMUJFWSA-N 469.033 0.939 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1CCOCC1 1288862047 GZDRQVVPHHTENB-QAPCUYQASA-N 451.597 0.882 30 20 JCED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1297824465 PZVSDSVWRREBPL-YTTGMZPUSA-N 460.560 0.792 30 20 JCED CS(=O)(=O)NCCn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1505151215 COXZGPDFMTYAKE-GOSISDBHSA-N 459.576 0.625 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1696633066 OLFUJUJXSHAAMN-QGZVFWFLSA-N 490.565 0.458 30 20 JCED Cn1cc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)CCO2)cn1 1696856407 JFXYUNKYKAUTHC-GOSISDBHSA-N 456.532 0.677 30 20 JCED COCc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1697817388 WDQCONLZAPZWLH-MOPGFXCFSA-N 476.559 0.534 30 20 JCED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705679286 INTBHUOKHMBZMY-UHFFFAOYSA-N 461.386 0.894 30 20 JCED C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705745081 ZSAKEJFHMUNRSQ-UHFFFAOYSA-N 450.935 0.284 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O 1712486520 PYLPLSYFRGILBA-GOSISDBHSA-N 487.586 0.393 30 20 JCED CCCNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1728191762 XZDITVWKFRWERN-KRWDZBQOSA-N 451.535 0.739 30 20 JCED CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747452000 VKHAXQZCUBVFDO-YTTGMZPUSA-N 456.576 0.876 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CCN1S(C)(=O)=O 1750354348 QUNDCKOVSMLZRL-INIZCTEOSA-N 487.586 0.725 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cnc2c1 1777996036 SJSFILNFNWORRA-DEOSSOPVSA-N 466.542 0.728 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2(O)CCCCC2)C3)CC1 1778910469 UMXVTTXXZJTTSB-RCZVLFRGSA-N 488.629 0.363 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1779139214 QJPNTFIBMDRSJH-JJDHCWFKSA-N 480.481 0.834 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1779423845 SPKCGEGAEJPYPJ-OJRJKXOASA-N 498.627 0.890 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780604078 VDPDWAOSRRBJHF-AKKWTUJNSA-N 492.617 0.693 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CC)NC(N)=O)CCO2)C1 1781168201 DPROVSHKYQZFAU-HOOSLVGPSA-N 493.605 0.960 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1781295923 XPUIVKBMOLCZHA-VGSWGCGISA-N 462.551 0.968 30 20 JCED CS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781902267 PTEMLRBSZTVBON-SFHVURJKSA-N 470.345 0.809 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1783275965 JKLMEPNAYHNCAO-OBWXTZQISA-N 491.589 0.963 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](NC(=O)OC)c3ccccc3)[C@H]2C1 1783876457 LQIGXVNFBYLQPN-VHMGZENTSA-N 484.553 0.922 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)ccc1F 1783981446 VLTYBUVUEZTFDA-LJQANCHMSA-N 456.396 0.748 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784741346 LTYQGPMYXXXJPV-IERDGZPVSA-N 473.592 0.720 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1784785324 LAVWFHFDXNUGTN-FJIDUMEYSA-N 455.552 0.444 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)c4cccnc4)[C@H]3C2)c1 1785170283 KMMVAEULOQKEIT-NYVOZVTQSA-N 477.521 0.985 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1785575180 ZNEOYXIDZGPMRQ-JXQFQVJHSA-N 471.558 0.828 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785710614 KHIPFLNXCTXHOD-IEZWGBDMSA-N 479.555 0.588 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(I)c(CC)nn3C)[C@H]2C1 1787137284 SBHQYAUZAHLGKX-OBJOEFQTSA-N 470.311 0.814 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787496825 WSIWNAKDWGCKOO-SORZXXQLSA-N 454.552 0.820 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)[C@H]2C1 1788094122 GRYOBDWONKOHDK-WJWMFLMHSA-N 471.620 0.902 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789574926 GLGWGMRNIPQKOK-VABKMULXSA-N 489.569 0.848 30 20 JCED CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077990 AWXGGQWGYKMTGR-DRCYAFTPSA-N 465.547 0.994 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1792484165 DYOPWOAMHSOSTI-DSENTWTASA-N 458.559 0.226 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(Br)n1)C2 1792489071 CXPVTGZUVMCIJL-OAILTHCBSA-N 469.361 0.967 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CNC(=O)OCc1ccccc1)C2 1792489790 SRUJYJGGQKMFNP-BQLJZFACSA-N 498.580 0.997 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)Cc1ccccc1NC3=O)C2 1793345449 UESGHQBSHALXAM-FCQWJQKHSA-N 477.521 0.739 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C2 1793346913 RVBGTDXZKWPOOH-GCLMUHHRSA-N 489.573 0.473 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O1)C2 1793347394 CROBJNHINCRTQM-DTGNRIQCSA-N 491.585 0.639 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795275723 POYZPIUHYIQTMP-FLQYYVGBSA-N 483.565 0.998 30 20 JCED Cn1ncc(Br)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598366 OAILGYSTQQJJFY-AGGWBTHJSA-N 467.368 0.668 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795641324 MJVGXIJIUGMOQS-WXQHOCMDSA-N 468.551 0.108 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1797119375 AVHBYMUJJNFSIU-PFHJDOJBSA-N 457.593 0.512 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1 1797274420 HNZIFYXTTVOFQG-KHEMCJCRSA-N 476.574 0.691 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(OC(C)C)c(C#N)c2)C3)CC1 1797306362 XAZLIRWSCXXSJJ-BRTYFSMRSA-N 497.596 0.713 30 20 JCED O=C1CCc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C/N=C/c3ccco3)nc2N1 1797836955 DBIPDBRUHPDYIL-CKSJKZRHSA-N 451.483 0.882 30 20 JCED Cc1nn2cc(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C/N=C/c3ccco3)nc2s1 1797837493 ZEQHKUQLCCLVEO-MBTWDSIQSA-N 456.528 0.943 30 20 JCED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1)c1cc2n(n1)CCCNC2=O 1798465987 LXLXHWUZCOJJSC-BCDXTJNWSA-N 453.543 0.967 30 20 JCED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)c1cc(=O)nc2cccnn12 1798493467 ABQZKJJEPRCPLY-NCBPZONUSA-N 454.487 0.870 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2I)C3)c1 1798693686 DNMQLHMZWMTHSL-GNXNZQSNSA-N 480.266 0.731 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1799196756 JILZHIVZIYDRKE-APAFKAMOSA-N 493.605 0.086 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799375518 GNOHBFKOMYVTMD-OREBXVKISA-N 462.547 0.113 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1800992074 HIASOSNTZMAXTO-AJYBTWMASA-N 492.621 0.536 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2c(Br)cc(F)cn2n1 1801183238 FHJXLJKECFBSLH-ZSBIGDGJSA-N 464.251 0.971 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801989969 GWALTIMLONTKEM-ZDQHKECQSA-N 469.538 0.978 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1802234221 YWFOBBDPTUWRSW-UJWQCDCRSA-N 467.563 0.803 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@@H]1c1cccnc1 1805167745 GCXWNOONBKQFRD-KOSHJBKYSA-N 490.520 0.211 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C(=O)Nc2cccnc2)[C@H]1c1cccnc1 1810455711 LFMKFCQQYDCNGT-HTJWAQAGSA-N 462.510 0.980 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]2c2cccnc2)c1 1811407923 UDGWJKKKNUWPMW-XJABCFGWSA-N 464.526 0.874 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1828804337 MTHNEPLYXNLLEH-RUZDIDTESA-N 493.520 0.667 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1828807499 CPKVCNWFHYGJSB-QHCPKHFHSA-N 480.529 0.685 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829043895 FASIOUAPXJLXLJ-WXVUKLJWSA-N 473.574 0.316 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N(C)C(C)=O)CCN2C(=O)OCc1ccccc1 1829055959 SZALUZUYBGVJHN-HOYKHHGWSA-N 454.527 0.939 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4C[C@H](O)CN4)CCN3C(=O)OCc3ccccc3)C2)CC1 1829202510 NTYJMEAIALWGSO-RLSLOFABSA-N 481.553 0.465 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCCC3)C2)C1 1829330946 UXAMVLUFQAFFHQ-RUZDIDTESA-N 482.537 0.622 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1 1830216510 FCJVEZXDQLYLEI-ACMHBOJASA-N 474.558 0.657 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468456 LTZPMWNTXXSEAI-QHCPKHFHSA-N 483.912 0.351 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1831411593 ZYAHOHILJGIXQA-DEOSSOPVSA-N 476.574 0.726 30 20 JCED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1833096488 UVUACYOZUAGFIY-HSZRJFAPSA-N 453.499 0.599 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)c(O)n1 1833698271 BOCGOHAFECAFFE-VWLOTQADSA-N 488.585 0.698 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C[C@@H]2OCC[C@@H]21 1834769014 VMFMKWLEUCKEKK-GSRZOBFVSA-N 492.573 0.771 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1835674297 IJMGEJPAOQBDNE-XMMPIXPASA-N 472.542 0.696 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1835715713 MHYNFZDBQVQHHO-OAQYLSRUSA-N 498.690 0.803 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)CCO2 1836260273 ZEKWOQNXWCKTQW-RUZDIDTESA-N 481.553 0.753 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c(C(F)(F)F)n1 1836321825 LNOVBAASHNGEBE-HXUWFJFHSA-N 492.414 0.439 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)ncc1[N+](=O)[O-] 1836552575 OLMCOHFWNPSJFU-YWJMUIPNSA-N 491.501 0.897 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4[nH]ccc4n3)CCO2)C1 1836903625 JNDMNENDMRJTSG-HSZRJFAPSA-N 454.531 0.915 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837467180 DQGUMUDIUVHRFT-JOCHJYFZSA-N 459.572 0.421 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1837528227 BVWLQAAEXCZRKI-PTJKWTKHSA-N 477.518 0.265 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837659164 SHZOQENNGFERSE-XMMPIXPASA-N 458.559 0.937 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837699645 CQFRHONUYPXEBC-OYHNWAKOSA-N 460.918 0.972 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)c1 1838950680 XREJLONXNLGKSR-HSZRJFAPSA-N 484.534 0.741 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)c(C#N)c1 1839132287 BISJCWPAWOQXJP-XMMPIXPASA-N 486.525 0.408 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839163990 UDVDJSQGTDTHKC-IUKKYPGJSA-N 482.578 0.437 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1839176315 HUKAOLZAZFNXJO-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187663 PSFJMVVILXAKGI-QMHKHESXSA-N 458.490 0.387 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839419866 YVQRDQRBOQYVKC-OAQYLSRUSA-N 465.503 0.674 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488718 FMRRNNMLCOOUJK-FPTDNZKUSA-N 454.487 0.029 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1839655912 WOJNGAXRDWHWCV-HXOBKFHXSA-N 473.599 0.868 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13C[C@H]1CCN3C(=O)OC(C)(C)C)CCO2 1840039573 YSUAHFOXSMNWKG-ZSVMJGIMSA-N 491.585 0.881 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(-n4ncc5ccccc54)n3)C2)C1 1840041236 ZJBNEIQOQODDJQ-QHCPKHFHSA-N 495.517 0.640 30 20 JCED CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044874 DKBIADWLBYFPIR-GAJHUEQPSA-N 481.546 0.470 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)CCO2 1840048290 ZLPOQZPEPIRZOZ-OKPAFVPDSA-N 479.574 0.778 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1840071664 CRXHVYDOWIQQGL-RZTYQLBFSA-N 487.619 0.522 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840437164 WTNRRRGBIRHJFQ-HSZRJFAPSA-N 462.547 0.545 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)c1 1840716114 DVWDJRCJCRUSTC-YVHKJVDXSA-N 453.503 0.631 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CC(c5ccccc5)=NN4)C3)C2)CCC1 1840815283 HLAJJGTVGYSNRQ-GBXCKJPGSA-N 451.527 0.903 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)no3)C2)C1 1840907045 OBLJKUFXRBCYED-HXOBKFHXSA-N 476.530 0.970 30 20 JCED C[C@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CN1C(=O)OC(C)(C)C 1840958955 KUIMVWSLTOKTLW-HOOSLVGPSA-N 493.557 0.566 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC(=O)NC)C2 1844215201 GABBRAPFBZDDKF-OAHLLOKOSA-N 481.550 0.131 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2[C@@H]3C[C@H](O)[C@H](C3)N2C(=O)OC(C)(C)C)C1 1846202985 VWPNQRZYOJJOOC-BCYZHJNNSA-N 461.559 0.987 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 503492940 LQMNJYHMHZFXIG-UHFFFAOYSA-N 463.541 0.422 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)cc(C)c2)c1=O 521499364 ODECAUBDPULYCG-UHFFFAOYSA-N 452.580 0.664 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 603989239 ZJADQFHAXANGJX-UHFFFAOYSA-N 482.606 0.452 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 729675248 WXFXXPGQBQIPIV-UHFFFAOYSA-N 461.521 0.735 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1CCOC 838232742 JIHVCKUKFDUWIY-UHFFFAOYSA-N 459.524 0.713 30 20 JCED CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCCNS(C)(=O)=O)C1=O 914555136 AKMUIQFXRFUTNU-OAHLLOKOSA-N 455.562 0.652 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)OCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)cc1 918764961 LKAKPMPRSCFZTG-UHFFFAOYSA-N 477.524 0.887 30 20 JCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(=O)(=O)C1CCOCC1 1136149384 IOZXHQPYMXVREL-OAHLLOKOSA-N 455.558 0.373 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1298097252 LJQIHLLFLIIEKM-QGZVFWFLSA-N 473.559 0.541 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1299303454 ROJGUZDUQAMUJA-UHFFFAOYSA-N 480.554 0.723 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1300659378 XSYWJUBGFLFZAY-OAHLLOKOSA-N 450.521 0.486 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1301017327 IGXLPIBBTCXOPT-ZIAGYGMSSA-N 460.004 0.430 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCNC2=O)CC1 1301045572 UUXQVHWCXMGUEJ-OAHLLOKOSA-N 473.987 0.358 30 20 JCED C#CCNC(=O)COC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1317730089 ZLWYPIIRNMJGBO-AWEZNQCLSA-N 459.318 0.275 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1510201562 VNUZBJZGYSUTQW-DAYGRLMNSA-N 458.610 0.986 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1512713771 IMSLHQWNFUUIGX-OSGXGRJZSA-N 495.650 0.585 30 20 JCED C[S@](=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1519626473 JBPOIAXOYGVHME-WNNBVUDTSA-N 456.594 0.262 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1619912734 KOBWANUEKYGCIL-SFHVURJKSA-N 468.624 0.782 30 20 JCED COc1cccc(CC(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1625928254 ZNWWOEYVUHQNCI-UHFFFAOYSA-N 456.524 0.759 30 20 JCED CC(C)C(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1691516267 WYBBCNANGVOQNQ-OAHLLOKOSA-N 450.503 0.693 30 20 JCED C[C@H]1CCCN1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1761498640 VKNJCORMGNBHLX-ZWKOTPCHSA-N 487.634 0.966 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(O)CCOC1 1764175327 XXFACSCDTAAVMP-HSZRJFAPSA-N 468.562 0.941 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)N(C)C(=O)OC(C)(C)C 1780596605 AAMZYQXLYPVHPS-XCGNWRKASA-N 451.520 0.844 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781115241 SALQCBQRUBJBPY-AIDSWVIKSA-N 481.590 0.617 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1781269781 MYRSRCPZDHBPNN-SBUREZEXSA-N 483.562 0.601 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781491876 SGNZETJGXOBLSI-OPAMFIHVSA-N 460.535 0.357 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C2 1781692474 OWULJUNPOVNZNU-KTXJPYHWSA-N 476.574 0.505 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782682526 JNHXHMOBRJZVGB-QMHKHESXSA-N 489.529 0.308 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C1 1783226481 JIDHTXKSBPGYPP-ULYRPOKDSA-N 451.520 0.590 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCc1nc(-c3ccc(F)cc3)no1)CCO2 1783558242 VDKSDNCADWKSRQ-QFIPXVFZSA-N 456.430 0.726 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@@H](C)S)C4)C3)CC2)CC1 1783894039 PHNRVWSNWQTLHD-UZUQRXQVSA-N 466.648 0.858 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1784369566 MPYSYFVUMASIJJ-ZJSXRUAMSA-N 464.526 0.401 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784389877 NEEUAFOVKAUEEK-ACRUOGEOSA-N 452.548 0.076 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1785578196 XAHXPDIWJHWVOR-KSFYIVLOSA-N 459.503 0.542 30 20 JCED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C[C@@H]21 1786701675 LDWVTFAGQBPLAJ-IHPCNDPISA-N 452.511 0.885 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786739104 WRHBAPHCBZMRTJ-NXOAAHMSSA-N 452.552 0.524 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787509976 WYTIEMOUSVNYSV-DWOIRGBASA-N 483.612 0.795 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 1788571387 JFSRCLOUFMXBDQ-CBVHJVASSA-N 465.572 0.652 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788717908 GHJRCXMACVVYBR-FFGOWVMKSA-N 499.568 0.916 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906911 XKVQJISKHFPGNP-QQDKQVRDSA-N 459.522 0.927 30 20 JCED O=C(O)C#CC(=O)Nc1ccc(C2(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CCC2)cc1 1791449255 KCTWGJBOXJELTQ-DLBZAZTESA-N 484.534 0.389 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC)NC(C)=O)C[C@@H]21 1792256809 MIZIQNGZLHSHOV-FSGKZVOOSA-N 494.589 0.034 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1793385322 JNOSMCBXGXYHCQ-JAPOXJDPSA-N 459.609 0.806 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1793593078 YRIDAHBINVMFHQ-KYHPRHEASA-N 466.535 0.498 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C)nc1 1794556439 BTOSSAUALAKWCV-RDGPPVDQSA-N 457.531 0.905 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2sc(C)cn2c1=O 1797061821 RDILBIAKLZCVIY-KQLJBOCNSA-N 471.539 0.126 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(C#N)c[nH]3)C[C@H]1CO2 1798694296 YXZXTKNPCXFJNO-URIBORFWSA-N 485.541 0.868 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C1CCOCC1 1799259831 WKFHWXQGXWSDHP-SUWCGCSTSA-N 493.557 0.374 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)[C@H](C)S)C3)C2 1800326515 PPNBZCGVWRKWLQ-SVZOTFJBSA-N 450.561 0.530 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1800801737 IPBMZPYKYOBNBE-DFGXFYAUSA-N 478.546 0.726 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1800825325 LVZFHNKKUNSXQK-XNFGBDPYSA-N 461.559 0.750 30 20 JCED C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C 1800879075 VTWMUEDALGMIRQ-DRYZZIBHSA-N 486.569 0.964 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)n1cnnn1 1800906794 HDACGBFLRYHUGO-IBEHDNSVSA-N 497.622 0.425 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(I)c(O)c1 1801905197 WEUAUAQPZAEYPL-DPIQGUFMSA-N 484.246 0.288 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1807945085 BQDMGTZTILLINR-KKSFZXQISA-N 499.491 0.721 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cn1 1812878521 JGYGRHUTOAIMJO-KKSFZXQISA-N 470.507 0.429 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1828922445 HILXGWHUZBINMJ-DEOSSOPVSA-N 496.524 0.294 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1829335289 YXSDEDKVBLWZBZ-XMMPIXPASA-N 479.493 0.492 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1829762407 JRQDTVVCAYEVNX-YLNCNTMDSA-N 459.499 0.086 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Br)c3)C2)C1 1829769996 BBIHFZQUXGMKFP-VKUXZERMSA-N 493.358 0.773 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1829771546 VGJRYDIJJRNISJ-IYZQMXKPSA-N 456.474 0.626 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1829956768 SBCAIYWEAVFSJT-UZUQRXQVSA-N 456.499 0.163 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1830880248 ISQUTBRAJZULJV-YADARESESA-N 477.558 0.492 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1832454314 GRZMILSJCGGIKE-FQEVSTJZSA-N 453.586 0.854 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)c1cccnc1 1832727963 AOMRUUHJTWQSHR-QQHIZMLBSA-N 498.561 0.768 30 20 JCED COc1cccnc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1832865302 FYMMRUZVAYSKNP-QHCPKHFHSA-N 453.499 0.993 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)c(O)n1 1833696335 DGCWMFVDIYXQFB-RUZDIDTESA-N 495.536 0.784 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834402059 RCPXXUAGEMJTOX-GAZXMLTASA-N 489.573 0.960 30 20 JCED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1 1834572011 NTVQGARURBNVMO-UHFFFAOYSA-N 450.536 0.927 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834986947 MKHCDDSZLMREGU-UHFFFAOYSA-N 458.563 0.960 30 20 JCED O=C(O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)ncn1 1835097080 RGCAVTVZIDLTSM-HSZRJFAPSA-N 450.451 0.297 30 20 JCED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(=O)OC(C)(C)C 1835211077 WPWJGSWSLBIMQF-QFIPXVFZSA-N 461.519 0.823 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1836289893 NJVKSIPESFNBNM-UQBPGWFLSA-N 498.584 0.848 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1837398621 GJXRDNBBXMTWAH-MHECFPHRSA-N 472.542 0.922 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837440898 FYLFXCXXHAURJV-AXDLBROPSA-N 464.498 0.324 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446641 LVDNFOIMZFPORX-UYOJLFFASA-N 476.574 0.670 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)C1 1837487068 WBHZQOPUYUPIAC-FHAGJXEFSA-N 476.570 0.731 30 20 JCED O=C1CCc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)nc2N1 1837489487 IZKHKVJJVJKHKP-SANMLTNESA-N 496.564 0.735 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530137 JFJJHJOOSVXOCB-KPSNGJBRSA-N 484.550 0.497 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)cc1 1837949848 YRPDUSJTKXBYGR-HSZRJFAPSA-N 465.466 0.625 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1I)CCO2 1837963675 XIOCYCZGPHGHCO-QGZVFWFLSA-N 472.283 0.498 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-c4ccccn4)[nH]n3)CCO2)C1 1838047853 HORXAXNMBUZDJK-UZUQRXQVSA-N 453.499 0.580 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838604334 MXRLSURQCHKXDK-QFIPXVFZSA-N 470.486 0.298 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)n1 1838951093 YAWPPRNTFDYDBW-QHCPKHFHSA-N 453.499 0.785 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)N1CCN(C)CC1 1839103075 CWCIMGPSTLRSOU-MHECFPHRSA-N 490.004 0.918 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@H](C(=O)OC)C3)C2)C1 1839176539 UEMOBLFJRRPNEO-YDIMBITNSA-N 480.558 0.932 30 20 JCED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839187257 SDRCIMKLIOZRQK-APYJYERMSA-N 465.547 0.855 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839187929 FDAQYWQSECBTCJ-JOCHJYFZSA-N 477.562 0.180 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421079 UVAOIJHKJGKKRW-OFNKIYASSA-N 491.472 0.262 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839572646 JNKSCFKKKJARLH-XMMPIXPASA-N 469.542 0.533 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3cccc(F)c13)CCO2 1839598008 MOVPXBQXBLFXLD-FUMRIQNTSA-N 471.489 0.630 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1839887710 NFMDVFCEZXAFSV-GOSISDBHSA-N 465.519 0.080 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840008300 FIRISDWXZLQPLX-PKTZIBPZSA-N 497.520 0.270 30 20 JCED COc1cc(Br)ccc1CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044227 REQDISHQXVFIFN-NRFANRHFSA-N 495.326 0.545 30 20 JCED CCOc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cnc2c1cnn2C 1840159973 SKPCWZKZOHITFX-SZNDQCEHSA-N 463.560 0.755 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251437 DFSULMHBASVFPJ-HOIFWPIMSA-N 453.536 0.389 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(Cc3ccco3)C(=O)OCC)CCO2)C1 1840340332 DNTADWOWWYFHOH-YADARESESA-N 491.541 0.733 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840783030 QBBHQELURVMRBK-PONPZLSQSA-N 479.505 0.917 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819992 SEDVOUKTFRTJPS-JPYJTQIMSA-N 468.514 0.321 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1840908518 MXHDSOZMHFCYIN-TVNLQBFESA-N 499.568 0.863 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3C)C2)C1 1840909078 MELYGXARNUSEBP-HXOBKFHXSA-N 475.546 0.705 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1840909577 WRIUKWIYLCKTFF-VGOFRKELSA-N 461.519 0.396 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841961164 CWKITASHJRDYMI-JKSUJKDBSA-N 475.546 0.485 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843234043 DJJUOOUOANVGGD-ZDUSSCGKSA-N 472.506 0.099 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235920 HWCIWFMHNSNOFJ-MCMMXHMISA-N 484.517 0.099 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1844236930 QMDXPEDKJROUDL-INIZCTEOSA-N 450.499 0.961 30 20 JCED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CN(CCO)CCO)C3)cc(C(F)(F)F)c1 1845514044 DPEITAKCYZBQSB-UHFFFAOYSA-N 454.449 0.681 30 20 JCED COc1cccc(-c2nnn(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2)c1 504818429 KAVDCTNAZWPBPF-UHFFFAOYSA-N 467.511 0.753 30 20 JCED Cc1ccc(C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)cc1S(=O)(=O)NCC#N 514344603 BJABSBDEUYRYQF-UHFFFAOYSA-N 490.630 0.107 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccc(F)cc3)c2=O)CC1 516828434 KYFNKXVAGSVJHP-UHFFFAOYSA-N 499.612 0.267 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cc(OC)c(OC)c(OC)c3)c2=O)cn1 523857801 YHGNMEBFUMVMSR-UHFFFAOYSA-N 495.561 0.923 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCNS(C)(=O)=O 524282242 XWHPIOWMCNIEBE-ZDUSSCGKSA-N 481.571 0.725 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1CC(N)=O 589158900 BJAFLXVTAOIPAJ-JTQLQIEISA-N 494.367 0.990 30 20 JCED CSc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 589160333 HEWPQXINFHFMKD-UHFFFAOYSA-N 465.622 0.909 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 603794439 FBHDOYFUSVTWIO-UHFFFAOYSA-N 499.593 0.912 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604118315 COZKRKYLMVZZJU-UHFFFAOYSA-N 477.608 0.769 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCc1cccnc1 609038401 CKJPVCPLKVAUMT-UHFFFAOYSA-N 493.501 0.476 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)nc1 727164482 OIDQPKCBZWMVQG-UHFFFAOYSA-N 472.958 0.727 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 728532401 YSFNRSNNXBKXAD-RUZDIDTESA-N 487.560 0.394 30 20 JCED N#Cc1ccc(OCC(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 789830300 MFXXVCOEFBEDDS-OAQYLSRUSA-N 465.462 0.991 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 821694129 UTCPEZJXZPBVNW-MRXNPFEDSA-N 489.531 0.612 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(N3CCOCC3)nc2)CC1 878389681 QFQBXSZFGAAZNB-UHFFFAOYSA-N 499.549 0.480 30 20 JCED CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 914683738 JKXZTSJGBNIDBR-UHFFFAOYSA-N 461.500 0.659 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 916692933 JJCVMEBCMCKFID-JZJYNLBNSA-N 472.593 0.455 30 20 JCED COCCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2S1(=O)=O 918389429 NNVJFQTUHOSHFD-UHFFFAOYSA-N 455.496 0.707 30 20 JCED N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C2=O)cc1 1215469951 LCIHOKRAVYNDCF-LJQANCHMSA-N 451.487 0.931 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1505137120 LMBZOOVLSVCYCN-GOSISDBHSA-N 493.615 0.322 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)N(C)C 1509690571 VJDBSJTZAWJOTP-UHFFFAOYSA-N 488.618 0.502 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1597893722 UDLAGSSPZRQUEH-HOCLYGCPSA-N 456.590 0.776 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1695910481 YNHGCMMOMYQIRV-GOEBONIOSA-N 466.612 0.227 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1698061911 XXLNNOOATMCSFA-OAHLLOKOSA-N 459.594 0.514 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1711292613 OIOQODLGSZRRRY-QRWLVFNGSA-N 467.596 0.513 30 20 JCED C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1712851176 UJELPXACGVCJJK-IEGUWTFLSA-N 488.614 0.912 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccccc2F)C1 1750211604 PCNJWSSMTGQULW-FUHWJXTLSA-N 464.523 0.722 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1764697137 MLAZCNXLUAWYGL-UHFFFAOYSA-N 461.548 0.289 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1765650452 YEQFZOLOTULORW-FQEVSTJZSA-N 496.616 0.708 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1=O 1771127172 SCPIXBVBSSUXIC-HKUYNNGSSA-N 472.571 0.935 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779953956 ODRYPUXXBJGOKC-JGYVSQDVSA-N 475.527 0.729 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2ccncc2=O)C3)c1 1780091510 WZVJQEWVOSWJBH-HYBUGGRVSA-N 465.510 0.951 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC1 1780338811 BMXMTIBFRYYPHR-DEOSSOPVSA-N 486.573 0.883 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C1 1780692229 JMCYMMXELKDYNK-SEPYTNNBSA-N 465.547 0.980 30 20 JCED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C3)cc1 1781011630 YEKMIRZQDGMXCG-WIYYLYMNSA-N 464.459 0.605 30 20 JCED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)C2)C1 1781387188 RMSPGFABLKILGA-LTMIRXACSA-N 464.563 0.764 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)CC1 1781970660 CZBZLMUDWGSSET-QHCPKHFHSA-N 473.961 0.819 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3=NOC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2)C1 1783453232 VXWYWUXHQUUVFD-QHCPKHFHSA-N 460.531 0.996 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)Cc1ccccc1NC3=O)CCO2 1783566794 IZILBGFQVOYZJB-QHCPKHFHSA-N 463.450 0.029 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]3C2)c(C#N)c1 1783676183 JYHTVNLMQSLTQZ-VDGAXYAQSA-N 457.531 0.360 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](COC)NC(C)=O)CCO2)C1 1783768948 TYKFKRVZVWVBRH-STSQHVNTSA-N 482.578 0.437 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1783770768 DDPQGZXLVNOHTR-UZFJHSOTSA-N 483.562 0.902 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1783927559 AOAFHQUQGQITAG-FCHUYYIVSA-N 455.471 0.494 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1783992644 ZXGXOHWKHNGQIR-NXOAAHMSSA-N 450.536 0.546 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)cc1C#N 1785196096 NCKBVCLBFYPSBE-QHCPKHFHSA-N 454.531 0.629 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1785572110 JJZSWTWYUDSSEQ-STSQHVNTSA-N 464.563 0.648 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1785576113 HZQBJUCJSOHXAX-JPYJTQIMSA-N 459.547 0.938 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3CS(C)(=O)=O)[C@H]2C1 1785683303 RNLLVLULBAVCDC-QRFRQXIXSA-N 493.582 0.729 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1785728345 JIJKCQRLIUHZAE-KOSHJBKYSA-N 493.605 0.734 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368718 NZQRLMVAWQYNJX-JUPXILGHSA-N 450.536 0.640 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1)NC(=O)OC(C)(C)C 1786745251 IFALKHZYTXFKGL-XSLAGTTESA-N 466.579 0.914 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788556610 PUMOSODSJREPCV-BMFAXAFESA-N 489.573 0.539 30 20 JCED C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1788724403 ICMVORVMQYGKGP-WBKMXMRLSA-N 452.515 0.845 30 20 JCED Cc1c(Br)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)nn1C 1789362215 LZTISHBMIKSSHI-AVGNSLFASA-N 453.293 0.172 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)Nc3ccc(F)cc3)[C@H]2C1 1789678882 JRXXKEKNSLFEDC-VIXCZISXSA-N 472.517 0.992 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(N)=O)C[C@@H]32)ccc1Br 1790196642 GRJANZAEFKCXLC-NOLJZWGESA-N 464.320 0.582 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)C[C@@H]21 1791142897 VVQMXKDNYPERPD-VNYTWHDVSA-N 476.636 0.617 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C[C@@H]21 1791277940 HPPMODYKBRMYCV-NXOAAHMSSA-N 453.536 0.999 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CCC4)[C@H]3C2)[C@@H](O)C1 1792141510 WEIUDWCDHKPQJV-VMXHOPILSA-N 476.574 0.888 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)NC(N)=O)C[C@@H]21 1792257160 AEGJEKRZVPPTAA-ATIWLJMLSA-N 479.578 0.330 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1793009103 RDUUISWOFUPIQN-LDHYTYPDSA-N 451.568 0.982 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2 1793597689 SQCOENZAIFPBFU-DXWTWGPWSA-N 484.550 0.110 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2nc(C)sc2n1 1793662644 URSOBBMRLWWGBC-CCWDJLKJSA-N 461.544 0.741 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O)c1ccc(O)cc1 1793763493 UEPFRJLGCHELDN-PRHHBONVSA-N 468.510 0.031 30 20 JCED CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCOC1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795081340 YWVLRRDSKAHFRK-NRUGXNMXSA-N 450.536 0.810 30 20 JCED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C 1795519046 VKVQWRBAQRMDNF-QTMHVTGLSA-N 494.637 0.945 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 1798691326 KINYDOHFFLJAJY-NBMJBFSESA-N 473.530 0.725 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(N)=O 1799627906 STVZXMWGPCLFBO-WOUAJJJCSA-N 484.553 0.905 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800781280 WBWKPYZNPVXFOC-WNSDDWSPSA-N 463.531 0.748 30 20 JCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCOCCOC 1800848790 BQHIKDGEQGYSCJ-IZZQQSIFSA-N 464.506 0.484 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801443522 XKNCSIVMVIWPKL-YPLQCARHSA-N 478.615 0.378 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2)NC(=O)OC(C)(C)C 1801928399 XJPGAAUVOKTOQB-CLWJZODNSA-N 462.551 0.727 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2 1802125553 HYAJEIRJTXCIEH-CXHZTBPHSA-N 462.503 0.287 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2 1802139817 RUHPSCZURDZEDI-RBQWPXAYSA-N 496.561 0.110 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)/C=C\C(=O)NC2CC2)[C@H]1c1cccnc1 1802481339 HSABQQKOQQMOCU-OZOZXOFESA-N 451.527 0.781 30 20 JCED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C3)N(C(=O)OC(C)(C)C)C1 1802506905 RHIGZBNUNXPKIO-ILOCAZANSA-N 463.579 0.783 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c(C#N)c1 1808165131 TYZZAWFKQIIUJF-KPDCDPCYSA-N 490.520 0.808 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1808836064 CLFKFDBVHFHTHT-YFVAEKQCSA-N 479.603 0.619 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1819710822 UWWCDVQCCFWGSR-TVQRCGJNSA-N 458.504 0.068 30 20 JCED NC(=O)c1nccnc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819904855 LFWMQNVZFFAFFG-FYNOTNEYSA-N 473.515 0.787 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)N1 1825073724 ASOJNGJMRLEAFG-RBUKOAKNSA-N 458.559 0.903 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827398700 LMBLJYMRRQOBEN-KRWDZBQOSA-N 469.550 0.328 30 20 JCED Cn1ncnc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1828665598 SPGQNQNJQKMLSL-JOCHJYFZSA-N 451.487 0.794 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1829764713 SQMRSZDQVQYERT-QJKPHDSHSA-N 461.519 0.050 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc4ccccc34)C2)C1 1829766347 TWIDWQDRDPIQJU-CNXHMKESSA-N 480.521 0.869 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C(C)=O)CCO2 1831132591 BDUWKDTYPWJLTE-UUOWRZLLSA-N 479.574 0.975 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC(c4ccccc4)=NO3)CCO2)C1 1831255223 QHLVUBKQFGXFJB-BWKNWUBXSA-N 483.569 0.918 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831478814 HVUFEFPSDLKPEU-HSZRJFAPSA-N 458.515 0.308 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)CC(N)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1831616273 TUBXROHOCAIKNU-XFAGBWLFSA-N 494.589 0.520 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1831998082 CHCIRKXGWJAZOZ-YTZAWJCFSA-N 494.589 0.438 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)c1 1833167928 GCOZWMUOROLRBA-QHCPKHFHSA-N 451.483 0.670 30 20 JCED CC(C)(C)n1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1Cl 1833604764 IBADYMSJMCSASO-FQEVSTJZSA-N 452.895 0.450 30 20 JCED CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1833663444 XXTGRIMRZCCUPE-RUZDIDTESA-N 470.570 0.916 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835046759 HNJYRUFSGJWNFZ-FQEVSTJZSA-N 488.589 0.957 30 20 JCED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1835243240 ISTAZEKVRZPQPF-NRFANRHFSA-N 451.907 0.945 30 20 JCED CC(=O)O[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)C 1835677855 OWXCBXWKCFOTCJ-AVRDEDQJSA-N 452.552 0.312 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1835677955 RJVGFEBSUQJXBW-HSZRJFAPSA-N 454.531 0.686 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835729468 GMQRDKHBDXQVNX-KIJZHVTOSA-N 484.667 0.358 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1835773945 UVNHRAADTMWWLX-KRWDZBQOSA-N 459.547 0.323 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836042054 LYHBSLRLWSLCSZ-WCFTVZMTSA-N 452.533 0.671 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccn(C)n4)CCO3)C2)c1 1836061831 BJYMZYOHMYIFHR-HSZRJFAPSA-N 453.499 0.613 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1836215649 IRYJEIVUZYNEPV-QQMNAOGKSA-N 478.546 0.117 30 20 JCED O=C(C/N=C/c1ccco1)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837047194 WOBJBPCIHFZUJT-FSJBWODESA-N 459.503 0.249 30 20 JCED O=C1NC(=O)[C@@H](CC(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)N1 1837115960 RCIQAXFGTJZURH-MMTNMYCKSA-N 462.551 0.055 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1837395010 NQWOLBJRIMTKOM-WMZHIEFXSA-N 495.598 0.269 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)ncc1[N+](=O)[O-] 1837528300 FJZGPBVDBORNQR-DSMHQBTASA-N 491.501 0.897 30 20 JCED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)n1cnnn1 1838401418 YAOSPAVGKCBDRM-GOSISDBHSA-N 458.563 0.931 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595707 ZAKAKPGQGGRKBB-QVKFZJNVSA-N 498.989 0.609 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838650611 FUCYPUNLHITYNC-INIZCTEOSA-N 481.546 0.349 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131055 JQFJQLGAUHRUGH-OSPHWJPCSA-N 472.542 0.480 30 20 JCED C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1839163786 GGNRKONQDADVIY-VBKZILBWSA-N 468.432 0.782 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1839173641 CWBBSIFHARMJMT-VWLOTQADSA-N 498.536 0.582 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1839190881 IXJKPDGRXHLKBH-DRMXPCRNSA-N 475.542 0.695 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)nn1C 1839421420 OUOYCKJOMMVQRJ-QFIPXVFZSA-N 457.462 0.823 30 20 JCED O=C1Cc2cccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)c2N1 1839573672 VGLSHXCPMMEOJX-RVQXCSPYSA-N 486.525 0.780 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839636879 QVVUDJNUWHUVKA-NXJLLGQXSA-N 482.585 0.681 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840052126 SXODWIFBYWAOPV-FJFBRFEOSA-N 491.585 0.927 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840052129 SXODWIFBYWAOPV-JDWVLIONSA-N 491.585 0.927 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840194480 QCWRIOJPAGMMIW-KSFYIVLOSA-N 499.586 0.177 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c1Cl 1840263645 VXAJODURIULPOX-QFIPXVFZSA-N 472.885 0.207 30 20 JCED CN(C)C(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1840788807 YPYVZLQVAFXXKN-VWLOTQADSA-N 485.585 0.740 30 20 JCED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n[nH]1 1840819399 IKELANOFEHXHQK-HSZRJFAPSA-N 453.499 0.993 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1846212020 BYFSOLTXOLHGAT-MRXNPFEDSA-N 479.578 0.928 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCNC(=S)NC)C2 1847069240 LYAQQWLALSKMCN-OAHLLOKOSA-N 451.593 0.590 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1848149672 GNDFRHQTRLWTKO-HOTGVXAUSA-N 456.547 0.628 30 20 JCED CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 17114724 WYXFUXUDCNEFDP-UHFFFAOYSA-N 491.595 0.824 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 31166216 CMDHADOXNGIKCY-OAQYLSRUSA-N 479.628 0.782 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2S(=O)(=O)N2CCOCC2)c(=O)n1C1CC1 500561032 IZJWFTOMCHYSOQ-UHFFFAOYSA-N 487.603 0.994 30 20 JCED CCc1ccccc1-n1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccnn2C)c1=O 502063833 OEYAMBMCNREBRJ-UHFFFAOYSA-N 476.606 0.862 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccc3[N+](=O)[O-])c2=O)CC1 516832192 KFPPKLQAGGPXGF-UHFFFAOYSA-N 453.524 0.866 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc1 517333040 WKTLQAATBTYBLE-UHFFFAOYSA-N 484.538 0.261 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)CC1 728536114 JUNDGDCLOMUBTM-UHFFFAOYSA-N 458.540 0.574 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 811831432 KOHYDUJKARIMEY-UHFFFAOYSA-N 473.463 0.874 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(Br)c2)c1=O 838217489 OFCSOKRUCOHQPE-UHFFFAOYSA-N 496.358 0.820 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c(=O)n1CCOC 838261932 PBESDGAJNRROKD-CQSZACIVSA-N 457.552 0.917 30 20 JCED Cn1cc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc2)c(=O)n(C)c1=O 884289794 JYTBRIVBSOCUKX-YVMONPNESA-N 461.496 0.465 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)ccc1F 914659092 GPQZJCDKLPUFPC-DZGCQCFKSA-N 476.548 0.871 30 20 JCED N#CCCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1ccccc1 914668324 PSXFTIIUZQWTHP-UHFFFAOYSA-N 470.507 0.911 30 20 JCED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 916875863 VXTCUNXCHCVTCE-AWEZNQCLSA-N 488.360 0.945 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 917768439 GKOXKLVZNRYOHV-UHFFFAOYSA-N 477.546 0.375 30 20 JCED N#Cc1ccc(S(=O)(=O)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(C(F)(F)F)c1 918534409 KQKKDDJKMJMCAB-UHFFFAOYSA-N 460.415 0.880 30 20 JCED CCN1CCN(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C(=O)C1=O 918657088 MUNANWXUWVLDKQ-NKFKGCMQSA-N 463.560 0.909 30 20 JCED COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 920395604 XVOCJOWRCDEOKV-UHFFFAOYSA-N 459.480 0.964 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C 1504911474 UXSHJDLWNQGLAD-VGOFRKELSA-N 474.587 0.523 30 20 JCED Cc1nccn1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1511620527 AJVIWTOASVYLRY-KRWDZBQOSA-N 462.580 0.946 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CCC1 1706748183 TUTBVONOXKUXJR-CABCVRRESA-N 474.609 0.317 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCC[C@H]1C 1706887870 SHOOHZRDULKXAH-RYRKJORJSA-N 450.613 0.549 30 20 JCED CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1747445710 MUKGVVRHGTYCLX-IBGZPJMESA-N 486.602 0.362 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1749269066 MIOPQDVIENPFON-IRXDYDNUSA-N 477.031 0.911 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(O)CCOC1 1764175332 XXFACSCDTAAVMP-QHCPKHFHSA-N 468.562 0.941 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779140185 UUNMWBVAZYTQGA-MYLUVWHHSA-N 478.546 0.804 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](O)N3CCOCC3)C2)c(Cl)c1 1779415230 HVPHCPSBJROGRB-WTIAFYNJSA-N 476.961 0.990 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780159120 VUVBJYVEAPHQEW-YADARESESA-N 460.527 0.852 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 1781965478 CGJKGSAOOQOIFS-VGOFRKELSA-N 460.531 0.899 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)[C@H]1SC(=N)NC1=O 1782195449 ARVCCPGQLQPABX-UZWKXWHHSA-N 481.538 0.681 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782812078 LWMAUCGBKUHRAR-PCVHLMMSSA-N 483.613 0.923 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567825 BLFSTIMFEFRYDG-MFEFFIJZSA-N 463.531 0.988 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)c1 1785078465 FSDNIEDZQLCMEK-CMJOXMDJSA-N 461.482 0.802 30 20 JCED O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1785217005 VWFXJLYINXNOCT-WCOWEIGRSA-N 464.479 0.300 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788648551 OWWFDGLUWQTJER-KSSXRGRSSA-N 496.605 0.086 30 20 JCED NC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)cc1 1788661922 ZWXOLYGQTVJHQT-PUMFNZCPSA-N 458.515 0.908 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788706278 UHYQJQUFSCKMNM-WSRJKRBPSA-N 460.535 0.376 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccccc4C(=O)OCCO)[C@H]3C2)c1 1789250056 XQAQZCBAONYHNK-LRQRDZAKSA-N 466.494 0.943 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789842121 XZWLSTBJDUMFEB-QTWZMDIBSA-N 474.514 0.154 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2F)[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791067165 IGPZBEBGNBHCGP-MKGGJWCUSA-N 493.532 0.790 30 20 JCED COC(=O)N(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)Cc1ccccc1 1791148147 NPNPJZRCDNIUAT-FHWLQOOXSA-N 457.483 0.323 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21)C(C)(C)S 1791192222 QNSAGAQZEPNVNE-ZQDZILKHSA-N 482.607 1.000 30 20 JCED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccccc4C#N)[C@H]3C2)CC1 1792145798 LUUHDGBRLPBWEI-FUDKSRODSA-N 469.586 0.554 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792424336 QCRPLKXFXZKUGW-KGSLCBSSSA-N 471.510 0.575 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1792564213 PQYQTXGCSCMDRO-QLYPLZBHSA-N 460.556 0.736 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1792779498 CYAFLRDDDXYGMB-NWDQVUITSA-N 497.592 0.454 30 20 JCED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1793260713 ZWGRAHHXQSPPNH-FAQVEIGNSA-N 495.561 0.281 30 20 JCED CC(C)(C)OC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077482 LUCWHDIMYCATBB-DFGXFYAUSA-N 495.577 0.908 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2 1797811725 TWKYDFZCZSGEMB-YDRXGEHBSA-N 468.514 1.000 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)N2CCN(C)CC2)C3)c1 1798578745 AEIFNOWWMVPWHT-ALOBAPJISA-N 455.559 0.406 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc(-n2c(O)nnc2O)cc1 1798598712 BSRXUBOKFIHLAB-OMQMMRKDSA-N 483.529 0.353 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C2(CCOCC2)c2ccccc21 1799073280 ARCUNJNPDHNFQL-KTIHBUSBSA-N 495.576 0.709 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799238013 SXOOZGHTNNGSJO-HEFCWWFNSA-N 478.571 0.027 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)N2CCN(C)CC2)C3)c(C#N)c1 1799238688 SJFVCNQIUWVFFH-AEHXPESNSA-N 469.586 0.335 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1799393717 MQZUASKMGHYIGV-KSWRQPAISA-N 456.540 0.263 30 20 JCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)cc1 1799668773 PKYIKVQNUULAAX-LJDSDSDDSA-N 481.578 0.990 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2)C3)CC1 1800030811 HLLQNIOPBSLKMI-PJVZLEMVSA-N 475.590 0.888 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCCS2(=O)=O)c(C#N)c1 1800392223 NJOOBTIJVUMNFN-SHJAMOMRSA-N 461.540 0.276 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2)c1ccc(O)cc1 1801053449 GLDTYBZGYJZUAW-DLWHVABMSA-N 473.526 0.543 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOC)C2 1802124570 AGFVZYYDWCZUFM-ZMMAXQRCSA-N 453.536 0.156 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2cnccn2)[C@@H]1c1cccnc1 1802482138 KNMUCRMCZRWCOB-YZYRHQEESA-N 491.552 0.554 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812873167 KGWJFYFCMHDEHZ-WAOWUJCRSA-N 486.525 0.811 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)nc1 1812875761 ZOBYLQQIJOPEHG-MGPUTAFESA-N 456.480 0.288 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC)NC(C)=O)CCN2C(=O)OCc1ccccc1 1828495372 GGYXZDPUVIWWMH-GBXCKJPGSA-N 454.527 0.986 30 20 JCED CN(C)C(=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1 1828921298 RBQYGNNJFMBXHU-XMMPIXPASA-N 467.526 0.830 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCN2C(=O)OCc1ccccc1 1829396020 CBJKOLDVGMIBEE-HTAPYJJXSA-N 451.487 0.319 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC#N)C2)C1)n1cnnn1 1829396100 DBDPSXCHLVGLPS-JPYJTQIMSA-N 480.529 0.990 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1829460975 DGPZXVWYQCQCSW-CJFMBICVSA-N 483.569 0.445 30 20 JCED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)CC1 1829635466 IINMDRGVEAEBBF-QHCPKHFHSA-N 455.511 0.900 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(OC)cc3)C2)C1 1829765030 FEAWHRZSLCASJQ-ZVDPHFIASA-N 471.554 0.943 30 20 JCED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)c(=O)[nH]c1C 1829900410 CMIQVIPNXHMQOS-DEOSSOPVSA-N 465.510 0.571 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)C2)C1 1831402070 MTMLLUBAWSDPLV-YADARESESA-N 492.594 0.517 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1831404595 QUNBMJMNGNJENA-CYFREDJKSA-N 499.605 0.701 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831486849 PLOVQOIBHRDNIH-FQEVSTJZSA-N 451.612 0.175 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)ccc1F 1831739219 VLSBWSDRDDTDHH-QFIPXVFZSA-N 455.446 0.506 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CC(=O)OC(C)(C)C)CCO2 1831985755 FQJLTJCNRYKGHQ-DYRFGFBLSA-N 451.520 0.033 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832804356 QKENFSVCAQBLIX-JOCHJYFZSA-N 484.469 0.198 30 20 JCED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)no1 1832921311 NMQZAANIIBKONI-QHCPKHFHSA-N 453.499 0.881 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833095567 AWNCXSWYPIWPST-CYFREDJKSA-N 489.573 0.565 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)nn(-c4ccccc4)c3O)CCO2)C1 1833411794 RIYMSPUFDAUKRQ-DFBJGRDBSA-N 482.537 0.995 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1833439007 YXQOXMZHHQPYIO-XMMPIXPASA-N 481.509 0.896 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CNC(C)(C)C)CCO3)C2)c(C#N)c1 1835617482 XSQXRKFWIXVFDV-XMMPIXPASA-N 458.559 0.954 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1)c1ccccc1 1835636611 UNMHKGIFGDLLGA-PXDATVDWSA-N 467.570 0.480 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835667360 DLIMAZALIDONHA-RDPSFJRHSA-N 474.558 0.467 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1C(F)F 1835677250 CULZOOXWTHPNRO-NRFANRHFSA-N 468.505 0.939 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nnc(Br)n4c3)CCO2)C1 1836256485 OWAKIRGWDCZWOG-SGTLLEGYSA-N 484.376 0.880 30 20 JCED CCOc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cnc2c1cnn2C 1836377452 ZZKQCOWYMIPFBT-QFIPXVFZSA-N 456.503 0.741 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1837443385 IHIWRNLWGGLZCD-HBAGGBEISA-N 454.531 0.876 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1837443654 NKVARQYBBWHQNB-NHMXVPMISA-N 454.531 0.876 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1 1837491371 YPNCBYOPOIRIKM-XMMPIXPASA-N 473.574 0.802 30 20 JCED O=C1Cc2cccc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)c2N1 1837530186 JTZBLFOEAPWYQB-CAOKLGHASA-N 486.525 0.780 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1C 1837531586 QAUQJAARQYDSGS-ZISMNVMJSA-N 465.507 0.028 30 20 JCED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1837954766 CBBUSQBCZVHCTG-XMMPIXPASA-N 457.527 0.859 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-c4ccncc4)[nH]n3)CCO2)C1 1838009463 MYCMJJZPOMSYIY-SBUREZEXSA-N 453.499 0.580 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1F 1838742389 FCFVYKDADVJBHS-JOCHJYFZSA-N 490.513 0.813 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839210330 LXNIXAWRLFFPKS-UZUQRXQVSA-N 480.562 0.412 30 20 JCED COc1ccc(Br)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839248655 DEDICKHNDHVHPG-HXUWFJFHSA-N 481.299 0.616 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)COCCO)C3)C2)ccc1Br 1839401041 NTIJBDWLIGDVMH-FQEVSTJZSA-N 482.331 0.400 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CCO2)C1 1839449610 USLHEFNGVLJNNO-UZUQRXQVSA-N 474.514 0.769 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839898840 AKXFMVKVBFBXOU-HXOBKFHXSA-N 493.557 0.313 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]13C[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1840008868 OOMPJHAZQKMIQG-PIYXRGFCSA-N 491.585 0.738 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CC[C@H]1C(=O)OC)CCO2 1840143546 XYCRLAXNBRSSEQ-IECBHUPTSA-N 478.542 0.708 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1840550712 LFXSNSGFOIFJGL-FQEVSTJZSA-N 469.947 0.716 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840909120 VESCRYSFTPSYAX-CYFREDJKSA-N 489.573 0.336 30 20 JCED CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O 11275120 SNZZYPQKGJRVIM-UHFFFAOYSA-N 457.487 0.691 30 20 JCED C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 491836146 XLCRBVYRNAMQJY-QGZVFWFLSA-N 456.524 0.975 30 20 JCED Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512376356 HEUBPJVKBDEUBQ-UHFFFAOYSA-N 454.555 0.722 30 20 JCED CSc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1 514521228 HILLUFDSFILCSA-UHFFFAOYSA-N 470.620 0.918 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCc1ccccn1 522381310 VOFXOEITLAQOLB-UHFFFAOYSA-N 485.547 0.783 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O 524281889 FITUSKUTQNNMQF-UHFFFAOYSA-N 464.469 0.976 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CC1 603996365 BMUNNIHFMJRYLP-UHFFFAOYSA-N 466.563 0.131 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c(C(F)(F)F)c1 604031778 LSSOSDATPMUISQ-UHFFFAOYSA-N 492.457 0.964 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2-c2ccc(OC)nc2)CC1 608884287 DFULTTSGXIUCPV-UHFFFAOYSA-N 476.562 0.365 30 20 JCED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 608912207 PSEFJUFTUWIYDT-UHFFFAOYSA-N 499.593 0.768 30 20 JCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608951185 XCZBEIJNCBUIGO-UHFFFAOYSA-N 458.544 0.711 30 20 JCED NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC#Cc3ccccc3)CC2)cc1 612309796 IHHCLYZGFKCKRC-UHFFFAOYSA-N 462.553 0.402 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCS(C)(=O)=O 729671686 VJGQDWBHPAQHCI-UHFFFAOYSA-N 455.508 0.262 30 20 JCED Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 769725279 DNWXOHXMDQWCJV-UHFFFAOYSA-N 494.551 0.577 30 20 JCED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 824404357 OOEAQOKZOZHFDE-OAHLLOKOSA-N 452.471 0.621 30 20 JCED Cn1cc(/C=C/C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O 917010285 AUSAXIQINSBUCB-QYDWLILUSA-N 466.454 0.063 30 20 JCED C[C@@H](NC(=O)c1ccoc1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 917317623 LAJZCJBGYDUOBT-OAHLLOKOSA-N 474.495 0.346 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1=O 917431347 QSOLHVHWBYHOOF-UHFFFAOYSA-N 479.459 0.978 30 20 JCED CCN(C(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 919315588 ITRULGLZSMNQOE-YOEHRIQHSA-N 456.542 0.440 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1288170198 NINRHLHEPXXYIQ-WOJBJXKFSA-N 453.547 0.760 30 20 JCED CCC(CC)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1291934031 VDGUWAWERHVNHM-MOPGFXCFSA-N 495.650 0.993 30 20 JCED COC[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300985033 NKUSHLIFLQQKQN-INIZCTEOSA-N 455.567 0.923 30 20 JCED C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(=O)(=O)N(C)C 1509954194 UJCDYOWWKVVAGF-OAHLLOKOSA-N 483.620 0.825 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CCO1 1517544845 LMWYOWFKBXXMQQ-GOSISDBHSA-N 469.546 0.985 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1541568500 WYTXBVVOTHSVFB-RLLQIKCJSA-N 494.666 0.422 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1746461136 YYJIJMIBJRPSPI-SQGPQFPESA-N 470.619 0.604 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1cccs1 1761483432 YGVGYXJAUQZNPF-PXAZEXFGSA-N 455.541 0.822 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777866406 OWUIDLYFIYRNAX-YADARESESA-N 456.543 0.894 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2[nH]nc3ccncc23)C1 1777902735 JBTGNNFHIPJGAD-FJIKSPBJSA-N 452.515 0.944 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C[C@@H](F)C1 1778218884 RAZQJEWYKDQDJL-DMPWYTOCSA-N 467.494 0.499 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CN4CCN(C)CC4)C3)C2)c(C#N)c1 1778262165 SRSYTOLOHJPHMT-DEOSSOPVSA-N 455.559 0.187 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c(O)n1 1778847651 UHWRZIMVSZZYNY-QFIPXVFZSA-N 455.519 0.682 30 20 JCED Nc1n[nH]c(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@@H]3CCCCO3)C2)n1 1779423202 ITPQFEWYXWAQNU-GFAIWCKESA-N 463.539 0.362 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779874337 YVHSXYSDTNDKLS-NPMXOYFQSA-N 488.545 0.488 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780804577 USHXZNRVPATIER-CIVUBGFFSA-N 469.535 0.796 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)c(C#N)c1 1781171338 SIGPQJSUNYBICW-AOMKIAJQSA-N 463.556 0.620 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)COC(=O)C(F)(F)F)CCO4)C3)c2c1 1782195631 ZIOMUZKIFHSXFS-IBGZPJMESA-N 465.388 0.984 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)CC1 1783112622 QRAZTOZIZHTUPT-WZONZLPQSA-N 463.579 0.967 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)=NO2)C1 1783429561 NFKPQBSUSFOKIY-XZOQPEGZSA-N 490.513 0.060 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567910 HWAUJYZBYWDCSE-UZUQRXQVSA-N 463.531 0.942 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(S(C)(=O)=O)c3)C[C@@H]21 1784501616 QUFPATHMYVYWJX-PDWMJMLSSA-N 451.545 0.670 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3C2)cc(C(F)(F)F)c1 1785153595 VUQRAJYZCHPSTC-STECZYCISA-N 493.442 0.768 30 20 JCED Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2Cl)CCO3)c(=O)nc1O 1785352714 FJWBDQSRIZTBLL-QFIPXVFZSA-N 471.901 0.926 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3CS(C)(=O)=O)[C@H]2C1 1785684763 OOZLVPVWUOJQHG-QRFRQXIXSA-N 491.614 0.501 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncnc3)[C@H]2C1 1786114757 WDSFNYQYHACROJ-WNHJNPCNSA-N 457.531 0.987 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786565283 INQXCNNZLFFTCL-IWFBPKFRSA-N 457.527 0.861 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1)c1ccccc1 1786890833 HFZZRWCRFKQLLD-WIYBCGNWSA-N 454.571 0.756 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC1 1789839893 QUUDKPBIICRZQJ-BZSNNMDCSA-N 488.541 0.595 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCN(C)CC4)C[C@@H]32)c(C#N)c1 1789842028 RBYOXWQAZPRQEQ-VJBMBRPKSA-N 469.586 0.336 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3ccccc3C(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1790791774 OPGQTVONLVRXSA-WJMWBRGCSA-N 498.580 0.834 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3COCCC34CN(C(=O)OC(C)(C)C)C4)C[C@@H]21 1790793620 RYLUOYOZQREYFI-OKYOBFRVSA-N 461.559 0.873 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1791264097 ZLCNRPWWBVOJDF-UYLCUJDWSA-N 457.593 0.512 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791560570 WUPUVSUMSYUSPN-BQFCYCMXSA-N 456.528 0.827 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1792257595 GFXXKXWZGZJRSE-TUFLPTIASA-N 492.617 0.605 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1c(O)nc3ccccc31)C2 1792489669 GAIBONFZSBFOHY-BQCISNNHSA-N 481.553 0.970 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1792490251 REUXNWHNGXVNPV-OAILTHCBSA-N 499.309 0.076 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1792490367 YHWBVSACTUSALW-HWUJXQQVSA-N 454.483 0.169 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1792491296 IXHHSIVXXYXWJW-YTRCMYEKSA-N 454.527 0.255 30 20 JCED CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1792954386 VQLDGWIHAKVPEC-AXVVYFOYSA-N 465.547 0.994 30 20 JCED COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261354 GIBMRSOPJPRNBR-JHDGKUDLSA-N 452.548 0.076 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796349749 DPYAYLDDNFFQDE-XRGAULLZSA-N 475.502 0.008 30 20 JCED COC1(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)CN(C(=O)OC(C)(C)C)C1 1797155405 NIFHMOWBEZYLIN-HGKCTWBKSA-N 450.536 0.906 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1797784384 CJCXAEZMKQRVEX-DTULOEDASA-N 457.571 0.676 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798566062 RBTUYBVJQCVDCG-JSJNYSNDSA-N 460.527 0.612 30 20 JCED CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800907970 RMTZXCUGQZAZNP-LXTVHRRPSA-N 472.608 0.266 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cn1 1807917146 PGXWBHDEAWXKRQ-HRAATJIYSA-N 470.507 0.429 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1810359616 ZNJAXCJGCGQCDK-DWQSOTOWSA-N 475.502 0.159 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1816181509 AEXBUVWQYXERPT-INIZCTEOSA-N 459.484 0.743 30 20 JCED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1)c1cc(=O)n2[nH]cnc2n1 1817468580 DYPPUOQSNLDTFW-QGTMMCOLSA-N 483.489 0.976 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)NC(=O)OCC)n[nH]1 1819242729 ZKHXJYHENTYIFR-KDOFPFPSSA-N 451.480 0.976 30 20 JCED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1(O)CCCCC1)CC2 1819468055 NDABXMVFITYIPN-FZKQIMNGSA-N 464.544 0.818 30 20 JCED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1819475997 KUWNMBLBCCFSJZ-MNOULKQQSA-N 476.559 0.844 30 20 JCED C=C1C[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](N)CN)CC3)N(C(=O)OC(C)(C)C)C1 1826287049 MAEZIVQVNIMLJE-IPYPFGDCSA-N 464.592 0.907 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1829263016 DCGSJBWNJXCUAN-FDDCHVKYSA-N 455.515 0.519 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NO[C@H](c4ccccc4)C3)C2)C1 1829770424 OYFDGHSTGKWJCH-CXOFEFFFSA-N 482.537 0.819 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063260 LSZHZVTZAPHQBD-MWTRTKDXSA-N 496.561 0.449 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218596 XOSZYBWRWUPACJ-DEOSSOPVSA-N 456.495 0.319 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c(C)c3Br)C2)C1 1831396833 LSXNSIKZLDQBCL-MGPUTAFESA-N 483.363 0.599 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1831397301 QMMBRNHWCFTGSU-IVZQSRNASA-N 477.470 0.417 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1831437562 CXXFQWQITIWSRH-RHGYRFJNSA-N 499.605 0.698 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1831604399 QDVLROLNJGTAEQ-RNODOKPDSA-N 483.447 0.554 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)CCO2 1833222450 BDMMLZNKZOAQCK-DEOSSOPVSA-N 466.494 0.938 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1833351508 LEHVZSPXAPIGNR-SFHVURJKSA-N 451.568 0.747 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1835843613 UNGIMFXOJQYWKS-HSZRJFAPSA-N 454.571 0.761 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4sccn34)CC2)CC1 1836075835 GUKNJOJIERIBQX-MRXNPFEDSA-N 471.583 0.980 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)c1 1836259071 AJORAJKVFSHNSK-QHCPKHFHSA-N 499.549 0.402 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)CCO2 1836588906 PZOSOLXDOVTHNR-IERDGZPVSA-N 471.501 0.968 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836988772 FQBPBIJOVGWJQL-MWTRTKDXSA-N 459.499 0.679 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1837311580 HLOKLLIGRIPLJW-RDGATRHJSA-N 498.617 0.907 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1837397102 MOWIRMFKMORAPK-YKSBVNFPSA-N 494.610 0.880 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837482754 CIZWBMKXZNKDEM-UZUQRXQVSA-N 450.499 0.919 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1837526617 VCLULWGKLOLRGH-DKRHDQAXSA-N 468.457 0.959 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838436504 ISSIMGWAFMIPKB-QMHKHESXSA-N 458.515 0.940 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598558 QEWGSUHYMUMQCK-OYHNWAKOSA-N 477.949 0.989 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838739157 NKNPGTICPOCKKS-HSZRJFAPSA-N 491.545 0.498 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1 1839130874 YNYHNYQJNOVRPT-WZONZLPQSA-N 467.563 0.786 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)c(C#N)c1 1839132554 JNEDVLXEIYNSDX-VWLOTQADSA-N 495.536 0.694 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1839176285 GJUTYYUHVNXEMF-QFIPXVFZSA-N 456.536 0.741 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1839184854 GBVFCUMPNDEZAP-STSQHVNTSA-N 468.595 0.897 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)ccc1F 1839186826 PYYLNVUKCGRSTN-VWLOTQADSA-N 495.511 0.521 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361309 BNWYWYOHQNAYCH-QHCPKHFHSA-N 451.483 0.935 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839380048 WMZKLLURWQRBCG-XMMPIXPASA-N 481.557 0.619 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c(Cl)c1 1839423468 CJHYBHOVZULXAL-NRFANRHFSA-N 473.873 0.797 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839623153 PMJGDFSDRNAVOP-QFIPXVFZSA-N 461.494 0.921 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630070 DXTZNCYBDPFVSU-NOIVPASESA-N 472.502 0.557 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1839665096 KNJFOXWUBXMFTQ-QHCPKHFHSA-N 451.483 0.194 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)[C@H]2C1 1840011182 RMZFUCGPZRJHJA-MIVHDCIWSA-N 478.546 0.238 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042611 FCNVLKDSDLCKOE-HOYKHHGWSA-N 493.557 0.711 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840071743 GWKCQEFAYUZSJK-RTFZILSDSA-N 480.562 0.507 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1840162937 ASQXUEUAZVIBSP-OAVHHTNSSA-N 462.494 0.918 30 20 JCED COc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)ccc1[N+](=O)[O-] 1840163724 XQNGIAGEKCOGLH-VBKZILBWSA-N 453.517 0.921 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840169392 BBOWGNDRVDGEEB-KOSHJBKYSA-N 495.573 0.703 30 20 JCED O=C1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CCN1 1840229894 RDZDMOJEZRAGIS-QNRRKLAXSA-N 461.540 0.470 30 20 JCED CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)OCC 1840281749 LFYKHMIIMBQMKH-XMHVBLFMSA-N 451.520 0.944 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c1 1840711970 PTCGJBDQFLPGLD-WSCWJOSJSA-N 454.527 0.910 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOC)C2)C1 1840908997 KWTLNRHSXSRBGO-VGSWGCGISA-N 453.536 0.396 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)C1CCOCC1 1845157615 NOXHQDKEBLSEDS-QGZVFWFLSA-N 463.531 0.988 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846228795 JZUDRMYVRYZGDO-BXWFABGCSA-N 461.515 0.550 30 20 JCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCS(=O)(=O)C13CN(C(=O)OC(C)(C)C)C3)C2 1846370941 RPTINHFUYHHGAK-GJZGRUSLSA-N 487.644 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C1 1847040605 CSDSSBFJKVPIBF-LPADLIQXSA-N 478.546 0.505 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)c(C(F)(F)F)n1 1848131164 VKEVBDQAGKCMJC-AGIUHOORSA-N 450.377 0.386 30 20 JCED Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2=O 23139382 SCCOIDDXSWFGRF-UHFFFAOYSA-N 452.492 0.996 30 20 JCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 480158107 WBIACNOMFTWCPM-UHFFFAOYSA-N 461.540 0.611 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 513985667 REOBLWQDADHCFG-GJZGRUSLSA-N 472.589 0.554 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 514518970 PFHOSVNWSUSSHW-UHFFFAOYSA-N 484.943 0.755 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 524411520 FLAFCAUBJFVIEE-UHFFFAOYSA-N 455.458 0.629 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(N)=O 608912256 QSVXZYLDXGINHC-UHFFFAOYSA-N 483.377 0.748 30 20 JCED C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 729789664 KXKVXXKYGRPOCS-SAZKUCFMSA-N 451.549 0.275 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CC2)o1 749290983 XCBFLDFGIUIBER-INIZCTEOSA-N 493.567 0.961 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccccc3OCC)CC2)c1=O 917470797 AKYXQEADTFUTOA-UHFFFAOYSA-N 455.515 0.358 30 20 JCED COCCCNC(=O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 918393471 GDAYTLKREQLMCE-UHFFFAOYSA-N 450.561 0.897 30 20 JCED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1139811266 IRPINYHSKNIFTD-MGPUTAFESA-N 456.524 0.748 30 20 JCED CO[C@@H]1COCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1504528115 KJQAXQWCDAMAEQ-OKZBNKHCSA-N 468.580 0.402 30 20 JCED CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1519513635 YZXAELYURQLPFR-UHFFFAOYSA-N 458.544 0.689 30 20 JCED C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539586551 LOBZKGTVFIYYGP-UHFFFAOYSA-N 494.379 0.911 30 20 JCED COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N1CCOCC1 1555559613 YWKDAKLQMGRHAK-UHFFFAOYSA-N 452.519 0.742 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCSC2)C1 1555813818 SQFPTGLKYLOGGI-XHSDSOJGSA-N 456.594 0.483 30 20 JCED C[C@H](CC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1634456789 SAEBTDDVLFZUHM-HUUCEWRRSA-N 454.574 0.530 30 20 JCED CN(C)C(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696582981 QMDZIWXPVXASGN-UHFFFAOYSA-N 465.562 0.862 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(=O)NCC(F)F)CCOC1 1710478741 RNLCHHOJRYACRT-QFIPXVFZSA-N 490.515 0.905 30 20 JCED C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1722539493 RKYAYBRMAMDDNV-QGZVFWFLSA-N 462.576 0.897 30 20 JCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O 1727608589 PUIAJCLRYLHJRE-HZPDHXFCSA-N 459.580 0.641 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCOC2)c1 1766940051 GCODJALOXNZRJM-UZLBHIALSA-N 462.532 0.076 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)cnc2s1 1779020126 YPAUJSKWFCJTQH-XUHCNCODSA-N 472.571 0.980 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1)c1ccccc1 1779184424 INZPAKOZKUOJEE-NTKDMRAZSA-N 452.511 0.565 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781172860 GUJLKNHVNHTXBT-UGKGYDQZSA-N 460.487 0.004 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ccc(F)cn3n2)C1 1781431613 RGFAHPVLXASBEI-VKTSEMSYSA-N 470.505 0.854 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015760 ZDIJCMJGMJTPFT-NXHTTZLHSA-N 477.514 0.514 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557087 GVEZKKQFVAVBDJ-UUOWRZLLSA-N 486.525 0.435 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4[C@@H](O)CCN4C(=O)OCc4ccccc4)C3)C2)CC1 1783645862 CWLCQAMJQBFHRI-ZYLNGJIFSA-N 482.537 0.892 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783981871 DOVUUHFXQUGUJC-LQYCRSIJSA-N 450.414 0.024 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089169 ZVWBMWPPGRWSOU-BTYIYWSLSA-N 451.524 0.050 30 20 JCED C[C@H](C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2)n1cnnn1 1784603592 QCUYAYMQYUHCSO-PZPWOCDFSA-N 497.622 0.666 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)NC(=O)OC(C)(C)C 1785306735 MHKXQBBQJYYNQV-UZUQRXQVSA-N 481.594 0.947 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1785427584 FQJHFWXRDMUULI-UUOWRZLLSA-N 478.590 0.991 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)c(C(F)(F)F)n1 1787198785 BAGODCZCYQGGTC-WBAXXEDZSA-N 481.475 0.898 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCn4ccnn4)C[C@@H]32)c(C#N)c1 1789842774 MCGMUMDORICJSO-YYWHXJBOSA-N 452.515 0.771 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796778914 UEVOSHIRLPUKTJ-HGJUEJDCSA-N 484.601 0.918 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)C1 1797120703 UDEZANMDEXBQSU-CWQOZTLDSA-N 464.563 0.744 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1797703620 AGYVICZWYMFVFJ-RZFLPCETSA-N 469.579 0.425 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797815245 LLYOZHFAHNBNPI-GTZTZOHHSA-N 498.577 0.646 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)O2)C3)CC1 1799236412 QJABWBRUSSNMRP-YVSFHVDLSA-N 491.545 0.225 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3nnn(CC4CC4)c31)C2 1800450594 CUOYVQZBPBJPAA-BMQTXXJKSA-N 498.584 0.745 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 1801868604 BLINMWPZWSXJNR-FEJSZKPUSA-N 481.505 0.829 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c(C)c1F)C2 1802125315 UPOAZSQGDAZJCW-IVSAIRAKSA-N 463.510 0.977 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC=O)C2 1802140800 LDKVBKBUZZEHRN-KVWRPFDZSA-N 450.536 0.180 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807026263 SBKGXWCDHOWVDP-VQIMIIECSA-N 468.447 0.322 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCOCC1)CC2 1819898663 MSNQROHIGJBYHX-JIDMFOLKSA-N 451.549 0.916 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1823386612 STTRMXGLAPBYLQ-DOTOQJQBSA-N 453.503 0.945 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1823388529 TTXHLMOWLGUUFA-IBGZPJMESA-N 470.530 0.639 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824536393 NBWPWUBYSHSSII-QZAUGJLXSA-N 460.516 0.841 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)c(O)n1 1825323321 ICPSROXOOJTYRX-MRXNPFEDSA-N 489.598 0.875 30 20 JCED CS(=O)(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC#N)C2)C1 1828910041 YQPKGAILNZMZFT-QFIPXVFZSA-N 476.555 0.787 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCN2C(=O)OCc2ccccc2)C1 1828914625 CJRBYCOFWYQHBI-KCPMXOJXSA-N 496.564 0.755 30 20 JCED CN(CC(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1)C(=O)C(=O)O 1828927395 SHQOFKYFLYSFSD-XMMPIXPASA-N 499.524 0.285 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)O)CCN2C(=O)OCc2ccccc2)C1 1829322522 PJZRVFVGXGGURX-XLNZFTOWSA-N 457.527 0.858 30 20 JCED Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n[nH]1 1829334322 HTAWPHOCYRGVSS-XMMPIXPASA-N 479.493 0.872 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829347634 BAEOGULHITZEHE-RDPSFJRHSA-N 455.559 0.528 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCOc3ccc(F)cc3)C2)C1 1829762421 JXOQLJKKSVSHQV-WEHRJKGCSA-N 475.517 0.909 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)C1 1829762850 UCONDGVDTQXCOD-CXOFEFFFSA-N 482.537 0.494 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)c1 1830460476 OJHFQEMTFNBIQC-URXFXBBRSA-N 483.594 0.974 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830882958 ZFVWKHXJRPCZCM-CYFREDJKSA-N 499.605 0.701 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)c1cccnc1)CCO2 1830987015 ISVRDMRDPJVVIV-AUSIDOKSSA-N 458.515 0.737 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1831487003 IQCXVSAYPNKFRC-HYFFOGBASA-N 488.651 0.639 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C)C2)C1 1831997509 BNBKBNJYJDDILB-JPYJTQIMSA-N 468.595 0.864 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832079540 BEEVZWBEACPIII-GOTSBHOMSA-N 479.530 0.320 30 20 JCED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)CCC1=O 1832369553 FEEZEAYMGDYTOF-DEOSSOPVSA-N 467.526 0.555 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(OC)n3)CCO2)C1 1832824204 QAVOIEDESYVTJJ-XMMPIXPASA-N 475.542 0.989 30 20 JCED Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1C(F)(F)F 1833326409 QIAAGKJJVGVKLX-HXUWFJFHSA-N 486.495 0.791 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1833334616 GWAGJTZDXWAGHP-JOCHJYFZSA-N 452.471 0.624 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1833611391 UDUIBXZECHLPIQ-RBUKOAKNSA-N 466.627 0.313 30 20 JCED COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834128459 CVZUAMCOJHZPBZ-KPSNGJBRSA-N 462.503 0.689 30 20 JCED CN(C(=O)OC(C)(C)C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)n(C)n1 1834760053 DYGLMQUEBCJHRE-QFIPXVFZSA-N 476.534 0.775 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOCCOCc3ccccc3)C2)C1 1834768680 JRKLOSKGINTYJZ-DEOSSOPVSA-N 475.542 0.606 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835210212 MURGHBDOWUSTAT-HSZRJFAPSA-N 483.562 0.819 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1835674842 GGIBCLXEXQDKJN-XMMPIXPASA-N 468.558 0.615 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1835677561 KPGLUGFGGGDKLU-XMMPIXPASA-N 483.525 0.173 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 1835844485 WFAIIFOSESTHQC-QFIPXVFZSA-N 455.559 0.895 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836168896 OKTNCIZQOHKMEH-OAHLLOKOSA-N 464.592 0.399 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)n(-c2cccc(=O)n2C)n1 1836259996 OYOFEBMHPKWIRS-QHCPKHFHSA-N 468.514 0.253 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836871552 BFRPMLLCPLNHLJ-PIVQEWKSSA-N 472.502 0.328 30 20 JCED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c(C(F)(F)F)n1 1837443495 CMUKMOVJDJRJEY-UEAIBJGASA-N 486.495 0.981 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1)c1ccccc1 1837614740 WDGLVHRFBWNYLY-WATLYSKOSA-N 487.553 0.705 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Cn2cncn2)CCO3)c1 1837647449 LMRGTTXCWKFDTK-WZONZLPQSA-N 452.515 0.865 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccnnc4O)CCO3)C2)c(C(F)(F)F)n1 1838369348 IDNSUWHPODGKBS-FQEVSTJZSA-N 492.414 0.851 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C3)C2)c(C#N)c1 1839133095 ZBVPHSJBSOWMSJ-BXKMTCNYSA-N 472.542 0.433 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(NC(C)=O)c(O)c3)CCO2)C1 1839473387 WAANXZMTLXYZPX-GBXCKJPGSA-N 475.542 0.994 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1839807680 FJCOCGJFTYWYQM-NLSFWIRASA-N 465.547 0.084 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1839847202 YKLVPYOBFVVEMB-SAHWJRBASA-N 482.578 0.424 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1840108000 BPPWWDOFVJQXRV-QZMQVMSPSA-N 482.578 0.424 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1840170055 YOXRKZOVZWBRGN-GVUKDKGQSA-N 469.582 0.882 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)COC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251822 ZXDPDAIYIGEROB-JTSKRJEESA-N 453.536 0.655 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840252277 SWYLHUKDVSCJGI-IUKKYPGJSA-N 467.563 0.779 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cc1OC)CCO2 1840639082 ZNIZFFFUGYPTKW-FUMRIQNTSA-N 461.490 0.763 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818523 HYHOZLGHLQLFNQ-HSZRJFAPSA-N 469.498 0.449 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)C2)C1 1840840942 UZZNQIAJXIQRSY-WMZHIEFXSA-N 477.583 0.532 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)CCO2 1840845181 MACAAUKWNCXKBR-AOJNWGRGSA-N 499.564 0.628 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(CC)CC1)CCO2 1840929270 MCTCZXUXTROIIF-HSZRJFAPSA-N 451.564 0.684 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845013500 CPUCUFGAWLFYPX-AWEZNQCLSA-N 460.556 0.636 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)COCCO)C2)CC1 1845212788 TZUDOBSKUGDGOA-UHFFFAOYSA-N 450.536 0.740 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)C1 1845884301 VEWLKQAMEXGFNC-OAHLLOKOSA-N 483.529 0.368 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OCC)C2 1847068770 GYHHRTKDXQCHSZ-GJZGRUSLSA-N 452.508 0.171 30 20 JCED CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=O 16106952 CDJVVUYOSZVUSN-UHFFFAOYSA-N 481.534 0.588 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 518044850 QDTOXLBIGQDJPV-KRWDZBQOSA-N 472.523 0.933 30 20 JCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)c2)CC1 518561097 NKATVVNBXCTSSG-UHFFFAOYSA-N 497.581 0.177 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)cc1F 589160633 ZOWHMPOQTINSLA-UHFFFAOYSA-N 467.544 0.335 30 20 JCED CS(=O)(=O)Nc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 604108998 ZVIAJBLEYHSVMM-UHFFFAOYSA-N 470.558 0.821 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(=O)N(C)C 604269755 AMOLXRGZHGGBMO-UHFFFAOYSA-N 496.511 0.673 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C#N)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O 726577085 HZVMTONLSFILHI-UHFFFAOYSA-N 452.517 0.641 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 727417564 NEUIBQJGSQIETE-UHFFFAOYSA-N 472.548 0.226 30 20 JCED C[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(CCC#N)c1ccccc1 792638822 UJJYCKAXMUCIJN-HNNXBMFYSA-N 452.471 0.702 30 20 JCED COc1ccc(CC(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1S(=O)(=O)N1CCOCC1 916179074 ICNAGWLAIASNOA-UHFFFAOYSA-N 493.563 0.776 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1303863346 QKCBBDJXSFXZGW-VGOFRKELSA-N 488.618 0.153 30 20 JCED CNC(=O)c1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1314979713 PKWPUHGDJJRMRU-JLTOFOAXSA-N 463.539 0.933 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](C(=O)NC3CC3)C2)CC1 1322301898 AGDQRRRGEVVWBU-SFHVURJKSA-N 459.572 0.382 30 20 JCED CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1508342213 OIHVZYUEUBEJMT-HSZRJFAPSA-N 453.547 0.900 30 20 JCED COCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1555426338 IJSKBCHHDJUHTH-KNQAVFIVSA-N 492.602 0.907 30 20 JCED CN(C)C(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1617601409 QLWYKBKQTAGNDE-HNNXBMFYSA-N 453.569 0.219 30 20 JCED C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)N(C)C1CC1 1692732037 XVZKNTIYBMZCDE-YJBOKZPZSA-N 451.597 0.834 30 20 JCED COCCN(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712420046 XBSGDQLOMSTXHE-MJGOQNOKSA-N 465.624 0.325 30 20 JCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O 1727608590 PUIAJCLRYLHJRE-JKSUJKDBSA-N 459.580 0.641 30 20 JCED CCCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1728206055 WDAFBWTZSABGRA-INIZCTEOSA-N 456.576 0.972 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN(CC)S(C)(=O)=O)CCOC1 1728819128 VCXIYMAWGKEPOB-QFBILLFUSA-N 456.569 0.331 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 1748053466 QYHMGARZODGSBJ-GCJKJVERSA-N 473.603 0.649 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCn1cc(Cl)cn1 1751231465 SXCAYNPRINCSCK-CZUORRHYSA-N 467.987 0.615 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN(C)S(=O)(=O)CC)CCOC1 1767482661 KUSUZPGKSBSPCQ-LPHOPBHVSA-N 456.569 0.331 30 20 JCED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCS(=O)(=O)c2ccccc2)CCO1 1771539315 TYCCPAVHUXGUNG-KRWDZBQOSA-N 458.544 0.993 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778273029 JHZYMAMIELIKLH-RHNBBQDISA-N 482.581 0.576 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2(C#N)CCC2)C3)CC1 1778757759 FBRGMDDIDLAFMJ-XMSQKQJNSA-N 466.604 0.866 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1779109341 MURLDRZTCAIUKY-HGVBPILYSA-N 470.573 0.206 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)C1 1779139418 CQFXMCSMKZZBKW-PHIVCAIISA-N 490.557 0.756 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779364194 IRFRWAGFSZRNKJ-UHKKGJDBSA-N 450.584 0.680 30 20 JCED Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn2[nH]cnc(=O)c12 1780019760 QBQQOSPVGTZQGY-HCNSUOPBSA-N 452.471 0.487 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780174328 DDPYOKNNDOVAQR-JNAXZKDPSA-N 451.549 0.342 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1781161396 ITUUMHIAMVJQQC-SBUREZEXSA-N 474.562 0.955 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1781166989 YDPRIMNYAQJLDD-SBUREZEXSA-N 480.562 0.869 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781290502 HPVCOGCSKCXEAR-QQMNAOGKSA-N 481.594 0.269 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)cc1 1781792210 VUWIZOLAFGNYQV-QHCPKHFHSA-N 465.466 0.966 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782962073 UKMBTSKRKLDFBR-HYFFOGBASA-N 485.603 0.863 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783192630 RKSQERPTYNPMJE-DCLXLUIPSA-N 473.501 0.475 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(Br)cc3[nH]ncc13)CCO2 1783564867 NXGRCLODPOROBV-LJQANCHMSA-N 461.272 0.857 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1785517650 VGVNILHMXBUNSI-JPYJTQIMSA-N 463.531 0.686 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)N4CCOCC4)C[C@@H]32)c(O)n1 1785773374 BFYQLVVAWXFKLT-ZPDADZDASA-N 474.558 0.150 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)C(=O)Nc1cccnc1 1788716253 YPHVBTWXXJISIP-IHPCNDPISA-N 454.527 0.698 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21 1789904324 KGCJSYBGDVAPGE-OYSTVDSJSA-N 496.605 0.888 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1792148701 YLLOHSZIEHZHFU-QGZVKYPTSA-N 461.540 0.494 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)c1 1792833914 QVRPFPPLNAMZKW-BBIADKPPSA-N 479.493 0.851 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N)C(C)(C)S 1795581503 RMQWHRVJNLWZBX-YALNPMBYSA-N 498.650 0.018 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795645123 GNJRSJGHDUNNEZ-KMOPNRPKSA-N 482.578 0.498 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1795894664 GZNWQGOHBCECRY-BDPHEOEISA-N 481.590 0.519 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742813 DOZOJSLTXIQELY-ZOBZJNQJSA-N 491.589 0.974 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797815959 YXWSIRUTETXJJS-YXHBDPGZSA-N 474.514 0.875 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)c1 1797836315 MUWZSCNUOAHFNP-GTVAPADQSA-N 460.512 0.400 30 20 JCED C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1799292895 MGOFODRFPKZDNY-IBEHDNSVSA-N 472.608 0.312 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1799320523 GULCQYMIEZMWSH-KYHPRHEASA-N 473.592 0.480 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)c1 1799802734 LSBIDFZSFINVGE-HGKCTWBKSA-N 458.565 0.930 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C4)c2c1 1799884034 JHCGFJCUINFWSO-DRXBFXEBSA-N 450.415 0.583 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1)NC(=O)OC(C)(C)C 1800527327 DVLWSWSHFXVVSS-ISIBIEBGSA-N 464.563 0.572 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2)C(F)(F)F 1800550284 ZVLRVKOSMPDPCR-DGADGQDISA-N 477.480 0.922 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)OC)CC1 1800553142 KWXPPLVWTYKORC-YYIAUSFCSA-N 465.547 0.999 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800774799 PCTUFIAPNCONAA-JDCJZRKESA-N 475.542 0.557 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1802124594 BYJHQLOFLQREGA-CLWJZODNSA-N 462.547 0.115 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1802124648 GPQQHIBLHPMYGK-QLCXLMDBSA-N 462.547 0.019 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1802126546 AFZUIKUICXVRHJ-UKBAYJJMSA-N 487.557 0.785 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1804346410 PKARSRXSSOPLCM-LYPJWFBTSA-N 452.471 0.398 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)CC)C2 1804370543 PAWJJQUPJXUIFM-YYIAUSFCSA-N 455.577 0.976 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812880654 RYNZSFDTDQMZFY-RAAWWHSXSA-N 450.451 0.946 30 20 JCED NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1815062350 JTVLXFVUNBRUAO-AGRYQFKWSA-N 452.537 0.177 30 20 JCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828525234 LZFHBJYLMZZJEU-DEOSSOPVSA-N 457.527 0.943 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)N(C)C)CCN2C(=O)OCc2ccccc2)C1 1828931425 ABYKLEXQRIXJKJ-KBMIEXCESA-N 484.553 0.565 30 20 JCED COCCOCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332379 JBPAGGJCGKKXRW-DEOSSOPVSA-N 487.509 0.190 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334624 JZWRQHQTKBVGSG-DFBJGRDBSA-N 496.520 0.147 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)n1cnnn1 1829635694 MFCLMUOSALISIZ-VGOFRKELSA-N 453.503 0.195 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460727 UAGSGDHJRYCFDC-XXBNENTESA-N 457.531 0.394 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCC(=O)OC(C)(C)C)CCO2)C1 1830798944 TVFHUDZXMDPUJK-WZONZLPQSA-N 452.548 0.993 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1831419822 QVAVFOQLJBPTHT-GSHUGGBRSA-N 455.552 0.947 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1831998757 SHYSLAMGQUFOCG-UZUQRXQVSA-N 493.561 0.846 30 20 JCED O=C(N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1)C(F)(F)C(F)F 1832182805 GLSAKFYAWFSXLZ-LBPRGKRZSA-N 472.285 0.698 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832206346 UOKKMTUACLXHRM-HNAWTQNHSA-N 486.529 0.417 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3c(=O)oc4ccccc43)CCO2)C1 1832756082 ZELAIPZTDUUEJX-QHCPKHFHSA-N 456.499 0.991 30 20 JCED CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1833663357 SIMDRMVHKORNFP-MEXCQQPDSA-N 455.515 0.930 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnoc3C)CCO2)C1 1834322170 QGXSAXWIDKAXNJ-FDDCHVKYSA-N 476.530 0.970 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)CCc5nc(N)n[nH]5)CC4)CC3)c2c1 1835668478 RQSOEHDWIITJBH-UHFFFAOYSA-N 490.572 0.953 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1cccc(Cl)c1)CCO2 1835723510 FQRUJMDHKRNBJV-BPBNSMFFSA-N 476.961 0.655 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3sc(N)nc3c1)CCO2 1835783354 FMFXFJAWRCKUMA-IYZQMXKPSA-N 485.566 0.807 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1837489891 XPAPSJUSEMXFCH-VWLOTQADSA-N 485.537 0.621 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837524410 AORSYGYETXFTAL-PIVQEWKSSA-N 462.503 0.689 30 20 JCED COCc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837531707 UIQHMOHHGJQQEL-DSMHQBTASA-N 464.519 0.760 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838101767 DKNZWQARAKYVLU-OYHNWAKOSA-N 480.518 0.920 30 20 JCED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c(-n2nccn2)c1 1838630124 AKESMDDMXATHJX-QHCPKHFHSA-N 450.499 0.950 30 20 JCED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131485 HHEAAWLFTDSHLG-OWSXEPHWSA-N 459.543 0.973 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839163726 PTQMNYNFFGDQAD-JXQFQVJHSA-N 494.589 0.274 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1839175482 MKIQRYOHWPZPSX-JOCHJYFZSA-N 464.471 0.383 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839203475 MECIOCFGLRQAMJ-FDDCHVKYSA-N 465.547 0.132 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210493 RCWRKGZHOGXIOA-NTKDMRAZSA-N 481.590 0.912 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)cc(C(F)(F)F)c1 1839443444 HTAOSKHCOJAVPW-BBTUJRGHSA-N 482.459 0.370 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnn6c5CCC6)C4)C3)c2c1 1839489068 OCSMGGMBZDHYQW-DEOSSOPVSA-N 475.509 0.961 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839577430 QRHXESMRXJHWOP-OYHNWAKOSA-N 476.555 0.787 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C1)C2 1839738857 ISLHYXPJQAOCCI-GAJHUEQPSA-N 473.530 0.382 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1)C(F)(F)F 1839893666 IUROKDVTDADPBR-GOSISDBHSA-N 472.445 0.945 30 20 JCED CC1(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CN(C(=O)OC(C)(C)C)C1 1840044991 LLMIFFWDYRDTCI-QHCPKHFHSA-N 479.530 0.178 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2)NC(=O)OC(C)(C)C 1840165077 VTWSHCNOIAVALU-ZSDSOXJFSA-N 489.591 0.218 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840323112 RRIZUEWPPKYGQI-UZFJHSOTSA-N 496.561 0.268 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840431569 LEUZBWMXVIMLEH-AYXIDTDKSA-N 463.535 0.505 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)C(C)C 1840819702 AQZHOOLJWWXGJZ-VWNXMTODSA-N 473.526 0.981 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840819777 DXELOFWRYFRBTN-JOCHJYFZSA-N 469.454 0.944 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1840844357 QRTCKQOBLBVJQO-HOYKHHGWSA-N 472.542 0.492 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1840914051 WBBRBYDAJIQWPP-ZGNKEGEESA-N 496.561 0.268 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1845130472 XLVPHXBMBHUAFR-INIZCTEOSA-N 475.546 0.438 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cncnc1[C@@H]1CN(Cc3ccccc3)CCO1)C2 1846195756 ALNQLBMKSKXXHY-NRFANRHFSA-N 489.532 0.955 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847108476 RVQKMTNKGDMWOJ-SFHVURJKSA-N 484.557 0.866 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1847814949 OWCFUOHDYQXLBH-SQNIBIBYSA-N 464.563 0.859 30 20 JCED CCCCNC(=O)CN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 25926145 RRXOFCFRQUQRKF-UHFFFAOYSA-N 483.573 0.989 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 26069845 HDTQJMVLKMNMOF-UHFFFAOYSA-N 477.564 0.753 30 20 JCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 509791615 CADUQTFCDLYNBU-GFCCVEGCSA-N 476.520 0.891 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 523256477 JOUOAPFLKSGZSE-UHFFFAOYSA-N 496.614 0.943 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4cccc(C(=O)O)c4)C3=O)CC2)cc1 589797399 PQZGPJUSTYNGEO-LJQANCHMSA-N 468.491 0.895 30 20 JCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)cc1 604167609 PYAIBZRYBYBLKJ-UHFFFAOYSA-N 462.510 0.446 30 20 JCED C[C@H](c1cccs1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccnn2C)c1=O 608829759 KDPKTDKRXXJBFP-MRXNPFEDSA-N 498.634 0.266 30 20 JCED COCCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403508 KMIOOAHCKCCHLJ-YGCDDZCOSA-N 454.574 0.839 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCS(C)(=O)=O 729672897 NIWMSSGHEOPLNS-UHFFFAOYSA-N 450.586 0.634 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC[C@@H]3CCCO3)cc2)c1=O 838278906 DFPMGLYJYKQPFV-FQEVSTJZSA-N 499.589 0.476 30 20 JCED C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 917922233 MKRRSSUVMCTOLO-UHFFFAOYSA-N 477.564 0.948 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)cc1 1207878966 KFGIMQORJVYETF-HNNXBMFYSA-N 458.562 0.506 30 20 JCED N#Cc1c(Br)cccc1OCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1472498585 ZRRSJOJRBLGVQI-CABCVRRESA-N 458.334 0.002 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccs2)C1 1519563842 PWWTXCGEPIQQQU-ZBFHGGJFSA-N 452.562 0.644 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1554498312 QYXYDQIWCSUFJC-KRWDZBQOSA-N 473.559 0.625 30 20 JCED C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C1CC1 1692726021 IYLKIKCVAAOWEM-IDHHARJASA-N 455.560 0.536 30 20 JCED CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1708771652 RAUXFSHSZMSGHV-RDJZCZTQSA-N 462.580 0.907 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 1722479601 KFNJWOIXFGUICS-LBPRGKRZSA-N 464.390 0.648 30 20 JCED N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCS(=O)(=O)N2CCSCC2)c1 1731179115 NSNNWCDRRZCHDD-KRWDZBQOSA-N 475.600 0.507 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1778784787 QQVMGWMFWJIRFT-BEFAXECRSA-N 485.419 0.480 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1)c1ccc(O)cc1 1778790430 QYUXHPNCJXFWAM-SNYIIPAISA-N 473.526 0.784 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1779139563 TUWXSIWKJGAYRH-PODSUIKTSA-N 451.527 0.925 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779316883 GQOZADGASOOFAV-GCJKJVERSA-N 454.487 0.029 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1779335880 LIHPWBYXURYOFA-AVDZWTPASA-N 473.574 0.682 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779397538 POAPJNAEIPHUKK-PQNGQFLHSA-N 492.569 0.694 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1781399454 CVCYXKMQMZBEAA-HOYKHHGWSA-N 499.572 0.810 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782419672 UWTUIMMASAWCCR-BNOLWBGWSA-N 471.539 0.428 30 20 JCED CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783568334 ULORJFPJHUFYMN-LJQANCHMSA-N 454.888 0.275 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C[C@@H]21 1784482871 HUCXLCMOQGJBCW-RVDAZCDBSA-N 486.569 0.640 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1784506121 HXBIJAZGMSQBFP-HLXURNFRSA-N 481.590 0.785 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785631443 UILMCWYLQUSJSP-QVKFZJNVSA-N 453.540 0.344 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccn3)[C@H]2C1 1787104784 XJYMGTQUBOWSNV-OKYOBFRVSA-N 459.547 0.779 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C[C@@H]21 1788574578 COEFGRKUNXARIN-USNOLKROSA-N 470.570 0.893 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21)N1CCN(C)CC1 1789798404 VKYWKZWQBFKXKW-NTPMHYTDSA-N 479.585 0.664 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1789934070 KGVPWJMNOFNEES-NBCSJBNSSA-N 492.573 0.954 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H]5CCCS5(=O)=O)[C@H]4C3)c2c1 1790751045 RGIVCZFJWFYUQG-CBVHJVASSA-N 471.539 0.605 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)=O)C[C@@H]21 1791258218 GCRSIJRDFFSODM-XSLAGTTESA-N 496.561 0.361 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792146951 AMZDBIGHOSSSJZ-WBKMXMRLSA-N 452.515 0.845 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC)NC(C)=O)C[C@@H]21 1792256811 MIZIQNGZLHSHOV-HVTWWXFQSA-N 494.589 0.034 30 20 JCED COc1ccc([C@@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cc1 1792717046 FXSIQLJUVHHZFS-ZMQDZUHTSA-N 461.515 0.847 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1793009102 RDUUISWOFUPIQN-BUMDURSCSA-N 451.568 0.982 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1793944101 QHMRJFXLPJLNAY-KHUIQGCPSA-N 486.528 0.888 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2[nH]nnc2C)N(C(=O)OC(C)(C)C)C1 1795982698 WPNVLPWBPCQHHI-DFGXFYAUSA-N 460.535 0.882 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ncccn12 1797031035 OLRYBXYPNBWUBZ-ZMMAXQRCSA-N 482.541 0.849 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1797808313 BDUIRDFLIOMUGE-JPTOVBLISA-N 476.574 0.896 30 20 JCED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)NCc1ccco1 1797815656 SDKJDMJLRIMFID-YEKKINBWSA-N 474.514 0.571 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798919835 RKYPUQMIESKBLR-RDGPPVDQSA-N 458.515 0.647 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CN3CCCCC3=O)C4)c2c1 1799885432 JOVNKWCFVQQBDX-VPTLXERWSA-N 450.499 0.650 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C1CCOCC1 1800778515 GCEBWIILOUPCSL-WYADAEROSA-N 493.557 0.374 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13COC[C@@H]1CN(C(=O)OC(C)(C)C)C3)C2 1800981956 TZWKLMLGWGYUKV-LDXCWZNISA-N 469.604 0.778 30 20 JCED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccc(Cl)cc2)C3)c(=O)nc1O 1801970226 XZFFIUIHGGJMNO-UPHUGPLXSA-N 470.913 0.552 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1803506361 JWGOGNOEKLPOQT-HZDJPYLPSA-N 495.602 0.944 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)ccc1F 1804355762 VJKNIRSWGAAUMS-ZWDAVXSWSA-N 478.484 0.939 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807943622 GUYGKYQVTCRXQG-COXVUDFISA-N 456.532 0.482 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c1 1810354247 NRUWMWIRTDFUKX-RZTXVSJASA-N 479.537 0.932 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879009 CYABPIGQKAWGOQ-FVJLSDCUSA-N 474.514 0.451 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814980148 WSXVDQIJOLCGAH-GDBMZVCRSA-N 479.559 0.832 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](COC(C)=O)OC(C)=O)n[nH]1 1819428904 QSLQZZWTMQLJFO-GNBGVQPESA-N 475.502 0.755 30 20 JCED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)n(-c2cccc(=O)n2C)n1 1822201063 WDKYYJDQIVSCST-INIZCTEOSA-N 477.481 0.996 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=N)N)C2)C1 1828585497 WFLAELLWLGVDAD-XXBNENTESA-N 490.630 0.876 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCN2C(=O)OCc2ccccc2)C1 1828877152 CJRBYCOFWYQHBI-BNIKKZEQSA-N 496.564 0.755 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828972149 IZIBDWQUYQGTEZ-FSKQJUNYSA-N 451.568 0.728 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1831406900 LQJFYXABAXKLBQ-HSZRJFAPSA-N 461.515 0.921 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1831411589 ZNRMHZPQIZHCCM-HSZRJFAPSA-N 473.530 0.384 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831462359 ABNDNRDDMNGQCE-VFNWGFHPSA-N 483.974 0.962 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CC(=O)N(C4CCCC4)C2)CCO3)c1 1832359963 GLTQUVWPTICDAV-HOYKHHGWSA-N 469.542 0.747 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)cc1 1833040118 XANMDBORCMBKKF-NRFANRHFSA-N 480.569 0.661 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1 1833075108 PITAUYLCZBRACN-ARJAWSKDSA-N 470.530 0.218 30 20 JCED CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1833144631 JAFRCFBNQXLLCJ-UHFFFAOYSA-N 461.607 0.528 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1833724741 ZJLKHYSGVICACF-UZFJHSOTSA-N 475.546 0.949 30 20 JCED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1833817992 CFJLHKSXVFWYCR-HSZRJFAPSA-N 451.483 0.806 30 20 JCED Cc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834066303 OFRHYGFEJMUHOD-DTXYYNOZSA-N 450.492 0.890 30 20 JCED C=CC[C@H](CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1)NC(=O)OC(C)(C)C 1835068482 KIKANYMJNJZDCC-QUCCMNQESA-N 480.654 0.704 30 20 JCED CN1CCN(c2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)cc2)CC1 1835352139 PCCFXMFHBONZPC-XMMPIXPASA-N 455.559 0.812 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1835751267 GKZHXVLPSQUCBC-UHFFFAOYSA-N 471.558 0.772 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1836214315 ZNOLMFNOOZFVDD-LYXWCMDISA-N 497.589 0.404 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)cc1 1836257393 BEVPDDUVMHGGAP-QFIPXVFZSA-N 485.522 0.094 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#Cc3ccc(Cl)cc3)CC2)CC1)[C@@H]1C[C@H](O)CN1 1836359044 LIWQLXOZENYJFT-VXKWHMMOSA-N 458.990 0.986 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1837487152 XYSHJALJOKBOBJ-HSZRJFAPSA-N 465.616 0.190 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837564581 YFAWLWMEAVJADW-ZJHLSYPMSA-N 470.511 0.868 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1838529124 MYVFLWPMSRUTMN-VWLOTQADSA-N 464.522 0.960 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncn(-c5ccccc5)n4)C3)C2)c1 1838736139 MHEPJYYNQSQOQL-QHCPKHFHSA-N 461.482 0.851 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N(C)C)cc1)CCO2 1838961278 DHDJSOSXLBZXOU-OPSAWKISSA-N 456.543 0.681 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)nc4)C3)C2)c(C#N)c1 1839133128 ZTURGVOOVMIHIF-XMMPIXPASA-N 466.494 0.980 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488256 HDJGCFQYRRNZFN-UPCLLVRISA-N 490.524 0.795 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)cc1 1839667388 NCLKXSRPIFCSRH-QHCPKHFHSA-N 467.482 0.132 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C1)C2 1839739334 YPZXPSUXTPJQOQ-UQBPGWFLSA-N 484.553 0.492 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840017994 PILYHGGMHQOSQD-CIICBDETSA-N 491.585 0.594 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1840108345 RGJYOAQVSSKENZ-PNCHPQGNSA-N 492.577 0.765 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](C)S)CCO4)cnc2s1 1840160759 RIWLQSGZRAMEPV-DJJJIMSYSA-N 452.558 0.453 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840164810 QKULFGXGZVQJOV-OYHNWAKOSA-N 498.602 0.527 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1840164930 KKJABCBGVCYGKF-AUUYWEPGSA-N 461.556 0.720 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1840177293 WDDFPIZBPADOJS-RPWUZVMVSA-N 473.526 0.563 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC(=O)NC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251899 DNAGHAJFAVMDIW-GAJHUEQPSA-N 480.562 0.145 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=C/c5cnc[nH]5)CCO4)C3)c2c1 1840344014 OOEMKBRYWXZKDO-KFVKGYIZSA-N 461.482 0.941 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1840361650 PGKZRGWQSPTYGJ-GAJHUEQPSA-N 458.563 0.253 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2 1840715277 VYEKFESXIGZWSL-HXOBKFHXSA-N 473.599 0.868 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2 1840715422 ASVLFJDSSWGHOE-SBUREZEXSA-N 473.599 0.868 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C1 1847100568 OIDXEYYDSBCXKM-IAGOWNOFSA-N 479.578 0.570 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncn2nc(N3CCOCC3)ccc12 1847813173 XAJDWQKICSGQPT-SQNIBIBYSA-N 454.531 0.972 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c1 16114310 YXPZHLUBLJAJTM-CQSZACIVSA-N 493.563 0.933 30 20 JCED C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 18662639 VSPLJASZJZYUBY-PBHICJAKSA-N 483.568 0.194 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2Br)c1=O 489195944 LONGBGNPOLDXCX-UHFFFAOYSA-N 477.384 0.161 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)cc1 505972892 BXWYLUGOHJQUHA-UHFFFAOYSA-N 491.595 0.694 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CCN(C)CC1 516371339 ICYOTHIFFYFAEN-UHFFFAOYSA-N 468.579 0.377 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cccc4c3OCCO4)c2=O)cn1 522389258 ABMOUITWAPQESJ-UHFFFAOYSA-N 463.519 0.668 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCCC(=O)OC 590990490 UOOQSNVBXMXCDX-UHFFFAOYSA-N 459.499 0.816 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828567 BXYRLZICTPOBDG-AWEZNQCLSA-N 480.521 0.791 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(OC)nc1 608884559 MOYVPUWAUFVFAE-UHFFFAOYSA-N 472.473 0.846 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(-c3ccccc3)s2)c(=O)n1CC(N)=O 608912526 UNWBQPMAWWUMDL-UHFFFAOYSA-N 450.545 0.905 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 609220772 GRWRJGSEIOPTCZ-UHFFFAOYSA-N 486.550 0.302 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c1 728506442 PQQIZDHEAQZKJU-UHFFFAOYSA-N 483.506 0.070 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 811833732 PNYCBOJZUGEFAL-CYBMUJFWSA-N 465.509 0.430 30 20 JCED C#CCN1CCN(CN2C(=S)N(CCCC)[C@@H]3C=CC(S(=O)(=O)N4CCOCC4)=C[C@H]32)CC1 914566004 KWGLLOOLLUDSQI-FGZHOGPDSA-N 493.699 0.750 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 914820458 APHHPHBUKLTWLO-LJQANCHMSA-N 496.545 0.987 30 20 JCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 918174694 VUJNXBRIOIDMAO-UHFFFAOYSA-N 463.581 0.235 30 20 JCED N#Cc1cccnc1NCCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 918270836 XZZJKPMYTGMHKI-IBGZPJMESA-N 464.482 0.134 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)cc1 919048511 MKVPRIUZJOGSMI-UHFFFAOYSA-N 463.556 0.860 30 20 JCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)[C@@H](C)C1 1286876848 NLJZKKOJVICOHR-YCRPNKLZSA-N 458.544 0.423 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1301017326 IGXLPIBBTCXOPT-UONOGXRCSA-N 460.004 0.430 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccccc1 1510219985 RHHNRNWIZMSBLT-XWFZLUIHSA-N 473.603 0.973 30 20 JCED Cc1c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)cnn1C 1542111035 UXMOKBBEDPOCBL-KRWDZBQOSA-N 462.580 0.831 30 20 JCED COCCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555414601 UJTVTVGGRWMWMP-MOPGFXCFSA-N 495.650 0.850 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1708278799 JWYVWOAIMVKLLA-HTAPYJJXSA-N 490.586 0.740 30 20 JCED CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1710918392 RJNPQSXPLUNESI-FTDQSSOUSA-N 459.580 0.238 30 20 JCED Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1C 1724439445 YMXJSMCCCFEGGM-NQIIRXRSSA-N 461.544 0.752 30 20 JCED CCNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1728650474 ZXKHNTJEJUMDTC-UHFFFAOYSA-N 496.620 0.803 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1=O 1730789277 QRZSJLCVODPVLB-SFHVURJKSA-N 472.571 0.937 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(N2CCOCC2)n1 1761476285 LDKIFGMUTJUMLR-MRXNPFEDSA-N 474.591 0.908 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)[C@H]1SC(=N)NC1=O 1779017273 JEPNMCSRADFPCE-FCPJJSMCSA-N 450.565 0.090 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2cnccn2)C1 1779471170 RNDZYORFBGDNMH-MOKWFATOSA-N 457.531 0.147 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780332858 GXPFHWCXITVCQR-OPAMFIHVSA-N 460.535 0.572 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccnc5C(N)=O)CCO4)C3)c2c1 1782192832 WNSYPUYZSDJGEY-QHCPKHFHSA-N 459.466 0.686 30 20 JCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(C#N)c[nH]2)C3)c(=O)nc1O 1783116158 KDWHSNSLFPLKQJ-VGOFRKELSA-N 454.487 0.285 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783771576 RIIHPCJFUQWYAM-VLIAUNLRSA-N 492.495 0.964 30 20 JCED COc1ccc(OC)c(C(=O)CCC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1783870523 YBYICRHLRFSRAX-QHCPKHFHSA-N 458.467 0.585 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1783927581 AOAFHQUQGQITAG-VXKWHMMOSA-N 455.471 0.494 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1)c1ccc(O)cc1 1784013548 FKNSDHCEFJQMTD-VAXXYWNWSA-N 456.543 0.312 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)OC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784087812 AFIUGDFSQSJZHD-KSFYIVLOSA-N 466.535 0.738 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1784196892 TZXLUIRWIIHUOG-QAETUUGQSA-N 450.536 0.546 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1784504602 RYKRPLKRGJNCKS-XIVBQZFQSA-N 471.514 0.863 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1)n1cnnn1 1784595997 VVKYHNRWUWYHHM-XIKOKIGWSA-N 464.408 0.663 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCS(=O)(=O)CC4)CCO3)C2)c1 1785076985 MIECNVLWWNVDKA-JPYJTQIMSA-N 474.583 0.488 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1785378919 YIJRFGNJKBQGKI-QHCPKHFHSA-N 452.467 0.790 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1788469909 RCNRNHFNMZPXMV-DBSRCYSRSA-N 463.918 0.736 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3O)[C@H]2C1 1789118082 PZONRCZNXUEQQT-DKIMLUQUSA-N 473.530 0.692 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1789954932 HBJYMPHABJAKCL-OREBXVKISA-N 460.535 0.376 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)C[C@@H]32)c1 1791986020 NVSGHQWSJIGNKM-CTXVOCDESA-N 453.499 0.505 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1792255820 YOWYTQXKXBDXHW-XSLAGTTESA-N 479.578 0.154 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1)NC(=O)OC(C)(C)C 1792586070 NVIKGHHRJQLNFW-CURYNPBISA-N 478.590 0.962 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1793347730 IKBSYLIGRIQACB-QLCXLMDBSA-N 481.546 0.071 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795441258 IZTJJSRBQASQRB-RCLSDMTESA-N 480.606 0.768 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2)c1ccccc1 1797876827 FOHPOAYDHRFUHG-HZQHDGKWSA-N 455.555 0.424 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2)c1ccccc1 1797877162 LARMOPYUGJPARO-XCRACJGTSA-N 457.527 0.838 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F 1799308030 DJSLGHSKFKCKRK-CWPLJXCYSA-N 481.427 0.255 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1)NC(=O)OC(C)(C)C 1799412844 DFVRAZMIYDIBGE-CLWJZODNSA-N 462.551 0.727 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C 1800823772 GXBGYWLJIQIFRW-PQKAOMOJSA-N 457.593 0.655 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)C2 1800988837 VBFSGNQUBLNGGC-OPOADAIRSA-N 473.595 0.989 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCCNC3=O)[C@H]1c1cccnc1 1802480111 ANKHGHRZXIIFOM-YRTIDYAOSA-N 491.552 0.590 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC2(CCCN(C(=O)C(C)(C)NCCC#N)C2)CC1 1809775301 PHARJRQENCLICP-IBGZPJMESA-N 464.563 0.994 30 20 JCED Nc1n[nH]c(CCC(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)n1 1810152230 PXCMGAAHFUPPOU-AMODZNIKSA-N 453.551 0.892 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)Cn2cnnn2)CC3)c(C#N)c1 1822807859 OCMMMADGUHTTAX-CQSZACIVSA-N 452.500 0.865 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)cc1 1829635793 PONYLJPJFXUVOK-GBXCKJPGSA-N 454.527 0.473 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 1829768871 KKOWQQZGWZHQRC-POUSAUBHSA-N 486.525 0.761 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1830297303 XPPOFTLNFIBIFS-PNLZDCPESA-N 453.536 0.394 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1830338550 LMRNKEFJFKNDRO-XBKFQHLESA-N 459.499 0.086 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)CCO2)C1 1830737141 BHXMAIRCNSDWLE-IXFSTUDKSA-N 467.563 0.642 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831212931 DNYKMXXYOCQIID-OHUGHZGNSA-N 491.585 0.474 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)C2)C1 1831425387 UBZHTSBKRSRSEZ-KBMIEXCESA-N 499.568 0.541 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)CCO2 1831522820 GEYREAXZEDZHRD-RRFNBQSRSA-N 496.564 0.720 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1832000103 HBJMQQJQIHCODA-HOIFWPIMSA-N 493.565 0.160 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1832015750 YLFYIRBCMHIREQ-QZTZHPFYSA-N 493.557 0.614 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)CCO2)C1 1832749915 NPMPWLOVCYSRCQ-YDIMBITNSA-N 489.594 0.591 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cnc[nH]4)CCO3)C2)c(C#N)c1 1832815185 RFDROAAMWOGIDZ-XMMPIXPASA-N 467.526 0.922 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833224609 DPQVOBFPZWTCTM-ZHRRBRCNSA-N 478.550 0.355 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC(F)F)cn3)CCO2)C1 1833636570 FWTPHXPEEKEWCH-YCRPNKLZSA-N 453.442 0.791 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833833387 RJMKRMKCTWTLLL-DLBZAZTESA-N 485.585 0.603 30 20 JCED O=C(O)c1cc(C(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)ncn1 1833969118 ZNGVLCXONASLKS-CVKSISIWSA-N 471.562 0.832 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 1834715384 ALQOOLLAGRGMAJ-UHFFFAOYSA-N 483.617 0.665 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)[C@H]2OCC[C@H]21 1834768988 TVSQDSDUSZGDIN-MUCNXURCSA-N 478.546 0.381 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834912577 WJZZADWMNZSZJI-OAHLLOKOSA-N 479.603 0.614 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1835918798 NWXUVHKFRQUJKL-QHCPKHFHSA-N 496.911 0.193 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)c1 1835926285 KUHPPLPOOPRRHK-FYSMJZIKSA-N 491.508 0.428 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835974474 GDUDOEFOJCBRQL-FQEVSTJZSA-N 454.911 0.502 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836174522 HZZLPTKXTGDHFD-WZONZLPQSA-N 475.546 0.256 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncn5nc(N6CCOCC6)ccc45)CCO3)C2)C1 1836289894 NMJOQYCROALKCE-RUZDIDTESA-N 496.568 0.602 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836479171 DTSTWINAYSTDPH-VRUMLPLGSA-N 498.580 0.842 30 20 JCED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837244165 PIOLKENSIOFKAE-ULKXQASOSA-N 473.555 0.663 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1837445274 NJGZLZOOQYPUCI-IUOVYFEOSA-N 457.369 0.842 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446935 RQCZWTLAOLWHPI-SGCYSOCQSA-N 467.567 0.439 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837495787 BHTVYARPWGYYJQ-DEOSSOPVSA-N 464.559 0.731 30 20 JCED Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)c(=O)nc1O 1837869681 CNWKURNFOBXOGW-UHFFFAOYSA-N 488.589 0.538 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncon4)CCO3)C2)c(C(F)(F)F)n1 1838317539 WPIYDAGQSQHSLJ-GOSISDBHSA-N 466.376 0.739 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1)c1ccccc1 1838326472 AVINBIQQEWRNCS-FQRUVTKNSA-N 491.548 0.843 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838377994 WKIAEISCJZTZAP-HXOBKFHXSA-N 489.529 0.169 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)nn1C 1838833609 FGYMNVFGFRVDQK-BDNZGDGKSA-N 474.539 0.999 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1839384782 QQIIIMJKJPEUJY-AUSJPIAWSA-N 461.581 0.240 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)cn2[nH]cnc(=O)c12 1839421460 SDZZQBVNQSPJLE-XMMPIXPASA-N 494.483 0.726 30 20 JCED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839489492 YZKBJFMDWWYWRR-GCJKJVERSA-N 473.555 0.619 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)cc1 1839779507 ATZUGPCECGHIEE-SIKLNZKXSA-N 461.540 0.134 30 20 JCED CCCN1CCN(c2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2)CC1 1840044800 YJNJGSRQTSRJBL-AREMUKBSSA-N 498.580 0.377 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CN5CCCCC5=O)CCO4)C3)c2c1 1840106079 AYEICYOBRGHSAJ-DEOSSOPVSA-N 480.525 0.517 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840780779 ASGWVTQJKSLRSM-UZQCKINESA-N 461.490 0.246 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1846330622 JSFXHQRMBZXXDC-QGZVFWFLSA-N 467.588 0.931 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1847082126 KSTOXOVESZWRHN-JLCFBVMHSA-N 464.519 0.202 30 20 JCED Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1=O 11458831 UJVYGFCZPCIKSV-UHFFFAOYSA-N 467.507 0.105 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 489103229 JOUCKQMTYYLLHV-UHFFFAOYSA-N 492.548 0.873 30 20 JCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 516406925 OWPDGYPPIHOKOU-UHFFFAOYSA-N 498.565 0.570 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 517336222 LVNPGRXZHNBNLR-UHFFFAOYSA-N 464.482 0.072 30 20 JCED CCN(CCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\CCc1ccccn1)S(C)(=O)=O 726110637 CUQDECFBWXFSSL-BWORXHKJSA-N 455.606 0.732 30 20 JCED CCN(CCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N/CCc1ccccn1)S(C)(=O)=O 726110671 CUQDECFBWXFSSL-UFIXSJTLSA-N 455.606 0.732 30 20 JCED CCN(CC)C(=O)CN1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403257 JONZCYPRGBOFRX-GTOLFZDISA-N 469.589 0.139 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)s2)c1 918244503 CZRDVNJVPSDFCN-JCMHNJIXSA-N 499.596 0.463 30 20 JCED CC(C)[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 919316460 YGZKPSBKLJGZOJ-AZUAARDMSA-N 470.569 0.734 30 20 JCED COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1301714089 ROLSDRNTVMODAD-UHFFFAOYSA-N 461.592 0.867 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2CCCCO2)C1 1302485482 SANJUNSFVRKWJY-ZACQAIPSSA-N 454.553 0.299 30 20 JCED N#Cc1cc2c(n(CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c1=O)CCC2 1459284244 QXXHDLDTQRZPFW-UHFFFAOYSA-N 456.524 0.546 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1508423907 JJBLTYCOGTZUHQ-ZRGWGRIASA-N 452.537 0.708 30 20 JCED CC(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508823655 ZIVNHODEVHXWHL-GOSISDBHSA-N 486.602 0.546 30 20 JCED Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)cnn1C 1510518671 ZTSVDIXSQKERDK-UHFFFAOYSA-N 458.548 0.804 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCCCC1 1541942441 DMJWOYQFOKIJHF-MJGOQNOKSA-N 464.640 0.941 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1547474979 IPPFZGIHJNATCI-UHFFFAOYSA-N 488.618 0.356 30 20 JCED CCS(=O)(=O)NCCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1552402212 ISJURPUHTGCBEV-INIZCTEOSA-N 461.596 0.793 30 20 JCED N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1 1564724197 RFXFZRQMANLLQL-UHFFFAOYSA-N 457.438 0.885 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)N(C)C)CCOC1 1616253143 KDMMJEAUSWBPMU-QFIPXVFZSA-N 454.535 0.612 30 20 JCED CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1691211293 IIYOSTROLYGMJW-UHFFFAOYSA-N 474.591 0.996 30 20 JCED CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1695898385 AXQYARZJHHQOQP-FQEVSTJZSA-N 457.627 0.620 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1705688393 QWWFTPAFUKRLCZ-LBPRGKRZSA-N 468.399 0.170 30 20 JCED CC(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706497379 JMVRQDVMGQFUND-GOSISDBHSA-N 474.591 0.860 30 20 JCED CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1706658800 WULDXEFTHFZRCI-LJQANCHMSA-N 489.602 0.577 30 20 JCED CS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1731019579 MEEKIUFNDBUXLE-LJQANCHMSA-N 486.602 0.362 30 20 JCED CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1746685105 MRCSDVVUJWGJON-OAQYLSRUSA-N 467.592 1.000 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCOC1 1751222468 IVFRAVSSSIOLTQ-IIBYNOLFSA-N 475.575 0.238 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1778787434 ZARZAWFTWWNVNX-UZLBHIALSA-N 450.879 0.720 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)CCOC1 1779018690 CBEPKUSPYBCRSZ-KGFBWQSRSA-N 493.605 0.972 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)cc1C#N 1779095983 LNXJPYHEMWHEDM-VWNXMTODSA-N 472.542 0.440 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCS(=O)(=O)CC4)CCO3)C2)c(Cl)c1 1781968505 QRHMMJHPZOSEOI-NRFANRHFSA-N 480.974 0.386 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783564702 CPXJEOULCRGDDL-FNVCAUGXSA-N 461.515 0.551 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783568269 FPRFXTDKYNGXAH-SBUREZEXSA-N 463.531 0.942 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C[C@@H]21 1784479494 DKLMUKUWFPNBHX-GIUOSPMZSA-N 462.568 0.651 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3C2)cc1 1785150087 XUVFDFZXQSATFV-VJANTYMQSA-N 453.499 0.069 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC(F)(F)C(=O)O)CCO2)C1 1785574335 HKJDWKYWLJQFCE-JLTOFOAXSA-N 473.473 0.843 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)N4CCOCC4)C[C@@H]32)c(C(F)(F)F)n1 1787199543 QKCSKCUBFJWEST-VZYKRBATSA-N 497.474 0.216 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 1788660966 RUVLKELZCQMLJA-WGOODIMQSA-N 461.519 0.788 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1 1789344876 HPGCHVIEBBQHMQ-OIGVQNGMSA-N 487.557 0.707 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(C#N)c4)[C@H]3C2)c(=O)nc1O 1789510799 FFCAJLSXDCMKIN-FHWLQOOXSA-N 451.483 0.423 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1789838722 MUSGHYREMVKELQ-MUGJNUQGSA-N 481.590 0.672 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078376 XNHWDKKEGLVIBP-BURNTYAHSA-N 483.521 0.925 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNCP(=O)(O)O)C[C@@H]32)c1 1791985155 VORNPDPVRLNIKS-FCLVOEFKSA-N 464.459 0.632 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792238998 GEZDFXYIKOXZCU-ZQDZILKHSA-N 455.602 0.400 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)N2CCCC2)C3)cc1 1792557187 SQJGQBCKCNOEJJ-HATOLVCRSA-N 460.556 0.116 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)C2 1793358258 ZQSZRTIMMKPUAE-UWSZBUKDSA-N 490.645 0.890 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(N)=O)C2 1793595538 QSXNJDZSNPVFAW-QEOTZNIISA-N 467.567 0.492 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](N)Cc3cccnc3)c2c1 1796399835 QCOKLZYIIFZMFH-NZGUISNBSA-N 459.510 0.603 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])c(C#N)c1 1796404632 QWVIWAITZVKVBS-JLVBRIDZSA-N 454.443 0.644 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1797712099 QWKWCMBTXWGNPT-CYGHRXIMSA-N 471.514 0.455 30 20 JCED CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)C(C)(C)C 1797809791 GHPMCMOOBANJRO-XZVTXLIQSA-N 452.552 0.656 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(C#N)c2)C1 1798863482 RQPKQFXAWDUXSN-FDKIHUSFSA-N 484.553 0.989 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]1O2 1799150578 AGSYIGFSXLNCJE-VKPOMUGMSA-N 491.585 0.639 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(Br)cc(F)cn2n1 1800126356 FDPJAMGTEIUAIR-JFILPPLUSA-N 494.321 0.872 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800732269 NQIICPHDBYIZMU-VDKVBZPZSA-N 489.569 0.947 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1802187686 FXWJXMSZOHSFLP-CWPLJXCYSA-N 450.536 0.231 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1803549826 GEYSAYXVRPIBNX-QEEHTWDDSA-N 460.531 0.969 30 20 JCED CC(C)n1nc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1C(=O)O 1805065039 VDACRKWDCCWYNH-FOIQADDNSA-N 453.455 0.965 30 20 JCED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)[nH]n1 1815200242 NRNWSXAJHIZMQM-WBVHZDCISA-N 451.549 0.866 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330766 ZDXIHTSJYXKTJX-GHMZBOCLSA-N 458.504 0.901 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1819777140 RFEOGERSEFWJQV-LUMUPFKMSA-N 450.565 0.177 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)nc4cccnn34)sc2C1 1821261782 HHFWFQPVYGSISN-CHWSQXEVSA-N 452.496 0.810 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)C3(N4CCN(C)CC4)CC3)sc2C1 1822712031 HAPPWKIIPQYGMH-WLMCBFPDSA-N 472.615 0.694 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1822928271 SQCBLKIAGXYLND-BFUOFWGJSA-N 452.533 0.215 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CC2 1825671949 WAANLUHYZBDBOV-WJPUGNRLSA-N 468.535 0.779 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC#N)CC2)n(C)c1=O 1826687711 YXDAPZXFTGXCSZ-KRWDZBQOSA-N 469.546 0.357 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)CC1 1827269638 ZVHCBCKGBOTVQD-LIXSYLKWSA-N 489.598 0.930 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829120936 IYDWEYINBNDOEU-DEOSSOPVSA-N 480.525 0.864 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829206689 VPGVURYTYRPIBR-SKPFHBQLSA-N 456.543 0.737 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13COC[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1829846608 ZDGPTHDKOSKNBZ-IFOZNXLVSA-N 499.630 0.645 30 20 JCED CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1829891193 ZTFMRPRFBQLWIK-SUGVQOHVSA-N 452.552 0.314 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1830185048 VMZOHJZTLIKRQY-UUVZMSSXSA-N 489.550 0.872 30 20 JCED COCCOCCOCCOCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1830407258 FVFJJQBUDGVLIK-OAQYLSRUSA-N 482.574 0.780 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccnc1)CCO2 1830987018 ISVRDMRDPJVVIV-CVDCTZTESA-N 458.515 0.737 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CCOC1 1831219364 WUYOEDWVJKULQK-BJKOFHAPSA-N 477.558 0.540 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)C1 1831396304 DJKWMWIGBSDZRR-PMAPCBKXSA-N 467.563 0.737 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(c4ccccn4)CC3)C2)C1 1831397311 QQPRCYMTPPEAFG-CJFMBICVSA-N 470.570 0.793 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831407193 RJVJFYMTVVHBRE-DVECYGJZSA-N 499.605 0.965 30 20 JCED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)c1=O 1831881567 YCHBYNFEMWFBNM-RUZDIDTESA-N 464.522 0.960 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1831997983 BFSIHWMYMBBSLQ-AXHZCLLHSA-N 496.605 0.827 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833162071 IKZZTAHWDYJCNL-UUOWRZLLSA-N 489.573 0.945 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1833482571 BMULRRRXUQSENE-APWZRJJASA-N 457.637 0.812 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)nc1 1833597154 UJHQZJBEFIDKPL-DEOSSOPVSA-N 498.561 0.669 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nc1 1833599681 LXZVOSFROLXKCX-SGCYSOCQSA-N 493.586 0.027 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCOC[C@]4(CN(C(=O)C5(C#N)CC5)CCO4)C3)C[C@H]1CO2 1835345419 MANOBHIEQJABDF-DPSWKAHMSA-N 490.557 0.525 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)CC1 1835349744 UUFCNVWHXXFXTJ-XMMPIXPASA-N 491.589 0.299 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)n(-c2cccc(=O)n2C)n1 1835354724 YNKROGBUQAZHLM-HSZRJFAPSA-N 468.514 0.253 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835363975 HWODCTNJZOXUQC-AOMKIAJQSA-N 464.519 0.673 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1835717861 PPMAOVAUCQEMOH-SFHVURJKSA-N 461.563 0.706 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1836470268 NQKGPXVALVVERQ-RUZDIDTESA-N 485.537 0.621 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1837002284 ZOFUSFWMAQJCEE-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1837397637 RLZZQHUTPQSKDT-GBXCKJPGSA-N 469.542 0.910 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1837401026 SKJXHPDQRJPAJH-GAJHUEQPSA-N 463.531 0.742 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1837403174 IJWDXLXRETURFD-MHECFPHRSA-N 470.526 0.979 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1837428718 AFRQUIXIKXJBOC-JOCHJYFZSA-N 463.655 0.334 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1)n1cnnn1 1837432706 MOODYUXYDHJLCT-NQIIRXRSSA-N 462.627 0.742 30 20 JCED CCN(CC)C[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446001 FAXDCMYEJZTSSW-WKYVHCBZSA-N 451.612 0.892 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837481249 FBWYDRJBRVBYQA-QUNWKYLGSA-N 459.551 0.205 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837528268 CPHIFZRGLROCFJ-CVUWTOEQSA-N 479.534 0.129 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1837560070 ISDAOYUZFXUATC-XZEIMLRBSA-N 450.561 0.204 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1837561230 DJMHGKCJJYPHKQ-OTUOEDBFSA-N 497.552 0.700 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1)c1ccccc1 1837614721 VPRXDDMNSJBXQB-IGKIAQTJSA-N 482.625 0.887 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)NCc1ccco1 1837636635 DKNOELAFANEGAH-OXXZUKKGSA-N 477.517 0.960 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837655730 AOIWFQZXJOREAX-MBSDFSHPSA-N 462.547 0.334 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc(C)cn4)C3)C2)c1 1838581992 YYWFNDIBRQDRBG-HSZRJFAPSA-N 453.499 0.842 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nn1 1838830979 WLTSZBGIQUPRTH-YVABFXQFSA-N 457.487 0.657 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)ccc1F 1839187084 JCOMHWOMAQOPPT-HXUWFJFHSA-N 487.406 0.802 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cc1 1839362126 YSVXIHRGDRENFW-HSZRJFAPSA-N 452.467 0.943 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccoc3I)C2)C1 1840041902 OIEZFKZJJSVJNX-QGZVFWFLSA-N 488.234 0.042 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnc3[nH]ccc3c1)CCO2 1840079460 DZETZRYGURPPQI-SFTDFLHESA-N 481.553 0.810 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OC)C2)C1 1840108218 FUBIGCAYONYHOM-GSHUGGBRSA-N 455.552 0.947 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1840158066 DQNSAAKWAJGXOT-IERDGZPVSA-N 450.561 0.307 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840218805 QEGSEMMYXZHHCK-DHIUTWEWSA-N 499.630 0.734 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840772644 YPEIASMLVVEDSQ-AUSIDOKSSA-N 498.573 0.872 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)no1 1840819271 ARULEEOKTCGKMF-DEOSSOPVSA-N 497.508 0.719 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840896168 KAPXMSNZNJUOLS-QFIPXVFZSA-N 473.576 0.355 30 20 JCED NC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C2)C1 1840921416 WWTMXCSXFYRWML-SANMLTNESA-N 476.533 0.825 30 20 JCED CN1CCCN(c2cc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)c([N+](=O)[O-])cc2F)CC1 1846196184 VYCICNZRJDMZLA-UHFFFAOYSA-N 487.488 0.781 30 20 JCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1846369339 ATNLELXCZVIDMC-CYBMUJFWSA-N 461.569 0.800 30 20 JCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2)NC(=O)OC(C)(C)C 1846934936 XNMDYAUHTVSKGJ-OAHLLOKOSA-N 474.495 0.774 30 20 JCED C=CCNC(=O)NC(=O)CN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 16636348 CKBRAFRLRPPJFY-UHFFFAOYSA-N 482.563 0.759 30 20 JCED C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 24138741 XCHNDUUVYTULAS-QHCPKHFHSA-N 499.524 0.997 30 20 JCED C=CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 512067515 LSBWENQQKSCHLW-GOSISDBHSA-N 455.602 0.503 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1C1CCN(C)CC1 516832312 LQRVBTDBMIYKTN-UHFFFAOYSA-N 468.579 0.999 30 20 JCED Cc1noc(C2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)n1 518475650 YKPCQKANVJVGMN-UHFFFAOYSA-N 458.544 0.962 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1=O 603724278 NEDXSKNVHATZQN-UHFFFAOYSA-N 492.458 0.703 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OCCOC)OCO3)c(=O)n1CCC 604443365 RFYPTABWTKAZCO-UHFFFAOYSA-N 471.535 0.879 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc2c(c1)OCCO2 619538762 ZGPVVTALIWGLEO-UHFFFAOYSA-N 464.459 0.827 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 726042683 MBZCRLUZTSQPPD-HCVBEMKVSA-N 460.487 0.690 30 20 JCED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 731066301 VQQOBUXZCVFCQC-ZDUSSCGKSA-N 470.511 0.867 30 20 JCED Cn1ncc2c(=O)n(CC(=O)[C@H](C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)cnc21 744938105 JHPHTKGGGDAWFW-INIZCTEOSA-N 459.470 0.424 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CCO1 1315018458 UURMFARAJHZONK-CTNGQTDRSA-N 483.573 0.527 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCN(C)C(C)C)CC2)c1C#N 1492727894 LRDMSUKBHCLKIQ-GOSISDBHSA-N 454.583 0.810 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCOC1=O 1509958466 ZKAQZBIGIWSGSV-CABCVRRESA-N 455.541 0.192 30 20 JCED CC1(C#N)CCN(c2nnc(CNC(=O)c3cccs3)n2CCNS(C)(=O)=O)CC1 1510294164 OLIMIUMWZXZDMX-UHFFFAOYSA-N 451.578 0.949 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CN2CCOCC2)c1 1611711742 SJSPANDDSZKJQO-YLJYHZDGSA-N 489.602 0.498 30 20 JCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)[C@@H](C)C1 1690840413 MYJVIWQXOVJBAH-BTYIYWSLSA-N 458.544 0.423 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1692788192 YSWANICIUQOVFS-NBCNXNJRSA-N 491.593 0.945 30 20 JCED CC1(C)COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1724032917 UOBUFAJRYBOMTE-OXQOHEQNSA-N 485.586 0.164 30 20 JCED CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1749952001 VHTUZFRGDZALEZ-QFIPXVFZSA-N 494.600 0.998 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1769366082 IJMLDTAOPCSLOM-KRWDZBQOSA-N 457.560 0.861 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1778120806 JNMYJUSJWSQJNG-FUMRIQNTSA-N 462.547 0.542 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1778967614 MBCIAABZPIYUCV-KBMIEXCESA-N 485.585 0.425 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020742 UZHNGSSOMMKZTE-PLPWKKLYSA-N 454.568 0.358 30 20 JCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1781090645 UOEDVYUKKGAFIY-NLFFAJNJSA-N 453.587 0.957 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1)N1CCN(C)CC1 1781093678 CARNVIIZXJMEQC-UEFYJELNSA-N 460.600 0.953 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1781401252 XBSMVNXIANSIOR-ORQYLMBXSA-N 482.578 0.988 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4CN3C)C[C@@H]21 1783529407 MHFQXDXNSRVVLB-DHQPLJIJSA-N 466.582 0.881 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1784479511 DSLVZVRCFXGJGY-RABCQHRBSA-N 479.574 0.375 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)n4[nH]nnc4n2)CCO3)cc1C#N 1785195931 HIBJZQZLLDICLN-HSZRJFAPSA-N 492.496 0.229 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccnc3OC)[C@H]2C1 1785308181 KGESJLZPAJBXBV-RAIDMPHRSA-N 456.543 0.861 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785364635 CBNGRAQUTUJYST-HKARXFIJSA-N 462.547 0.880 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1785574789 RUESWFSMMUYICZ-OYHNWAKOSA-N 461.519 0.925 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1785575729 CHAMNFOEBBBGOG-HTAPYJJXSA-N 450.536 0.259 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCN5CCOCC5)[C@H]4C3)c2c1 1786746619 HSAFCIDKKHMJTJ-CUWPLCDZSA-N 466.542 0.750 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)ccc12 1787148951 UWOYROALORHQBX-BQFCYCMXSA-N 468.466 0.192 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C=CCN3)[C@H]2C1 1787406051 NFSYICAQQSBICG-BVULJHSPSA-N 460.575 0.964 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COCCO)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1789918914 ZIFKPBZTXPZEOF-VJANTYMQSA-N 467.563 0.541 30 20 JCED COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1795353544 SAGZOAKXQYXICT-FVCICTRLSA-N 456.421 0.838 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796402190 SCLTXCIZVHAVLT-XGUBFFRZSA-N 478.506 0.991 30 20 JCED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCCNC3=O)c1 1797323684 QWTRISPGOHHIDU-YVWYUNDQSA-N 466.473 0.544 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1797709956 PDOBZBNYJLHBHH-UWVPOSKDSA-N 481.590 0.519 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2)c1ccccc1 1797876938 PSBMHNJVNOLDGU-RCLSDMTESA-N 463.471 0.498 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1O 1798382252 INDYYXOIJHLAEJ-FSDCSDTHSA-N 461.519 0.855 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2)N1CCN(C)CC1 1799181848 UOWXVIPKMBLZFK-OYWYANMWSA-N 458.990 0.917 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1799308381 ZXQZSRREUXARDS-AJYBTWMASA-N 495.573 0.721 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800521768 NOOOTPLRAUKGPB-XLKGFZLASA-N 450.536 0.182 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)c2C1 1801990130 LZCDTUWSXIDCHI-QDMKHBRRSA-N 472.502 0.369 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[S@](=O)CC)C2 1802125161 ABPFCZAISPWASW-UBZXZJBMSA-N 469.604 0.651 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cccnc2C(N)=O)[C@H]1c1cccnc1 1804806851 CPMBHECXFVXXQD-ZRTRKKQLSA-N 462.510 0.754 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806083002 KQKVOGXNDQASGO-GYIUOZGZSA-N 495.540 0.870 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1810558890 HYFRRMOHGBIUMS-JHTMQAQTSA-N 457.531 0.097 30 20 JCED Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)c(=O)nc1O 1814041514 VFCUGCWLBNGSEQ-TXANHQATSA-N 481.557 0.830 30 20 JCED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN(CCO)CCO)n[nH]2)cc1 1822023088 YHXPGHQRICVCMQ-HXUWFJFHSA-N 454.531 0.803 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCNC1=N)CC2 1828030224 UGNORHSPTAZCGY-CQSZACIVSA-N 453.528 0.846 30 20 JCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1)C(F)(F)F 1828524535 ADOSRONQHYWWLC-HXUWFJFHSA-N 471.432 0.868 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCN2C(=O)OCc2ccccc2)C1 1828982866 LAMRPEKDMHNGLE-HXOBKFHXSA-N 488.614 0.597 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829713344 LXIHJKCJDOPZTG-DRRDTLGUSA-N 470.592 0.021 30 20 JCED CN1CCC(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1830006630 YFPIRDFRQHEZBF-OCNXCNKESA-N 466.579 0.704 30 20 JCED O=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CCN1 1830470064 PBGIHRKJXHHEJH-FDDCHVKYSA-N 459.930 0.674 30 20 JCED CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1830531850 RLWWUSZMSGVSQJ-WJONJSRFSA-N 489.635 0.815 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO3)C1 1830569391 WGLLCZUZJMWAAC-HTAPYJJXSA-N 453.536 0.295 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1831490708 JFIMIIJOFMYRBS-XXBNENTESA-N 476.599 0.901 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1831998819 LWEMRQOEAXQWAJ-PNLZDCPESA-N 455.552 0.683 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C=C[C@H](NC(=O)OC(C)(C)C)C3)CCO2)C1 1832544273 CYGHIVCGUNHCLI-PBQROFAYSA-N 491.585 0.951 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CC(=O)N(Cc5cccs5)C4)CCO3)C2)CC1 1832750401 VZVQRZDHGHMAMB-HXOBKFHXSA-N 472.567 0.857 30 20 JCED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cccc1=O 1833873762 YFHDSHHFXUHBLJ-DEOSSOPVSA-N 457.527 0.154 30 20 JCED C=CCCc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C4=NNC(=O)C4)CC3)CC2)c(O)n1 1834028630 MXJFGADWHVKRCB-UHFFFAOYSA-N 468.558 0.967 30 20 JCED CC(C)(C)OC(=O)NCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CCOCC1 1834755862 KQKAZFSUKPPBQB-HSZRJFAPSA-N 480.562 0.678 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cccn4c(O)nnc34)CC2)CC1 1835044260 UWJCTMMDEOMMLA-WAYWQWQTSA-N 481.557 0.479 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCO2)c1ccc(O)cc1 1835397569 RRNYMNDXEVQASP-NVQXNPDNSA-N 485.581 0.678 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1835677749 WIDAQWJMJXWESY-OAQYLSRUSA-N 462.576 0.767 30 20 JCED C[C@H](Cc1ccncc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682213 BUZILELDSAFSCW-NTKDMRAZSA-N 457.575 0.998 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CCNC(=S)NC)CC2)CC1 1835739176 YRGKNLOJHFKUNX-SFHVURJKSA-N 453.653 0.615 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835753053 APUJPNZYRCXEHG-NRFANRHFSA-N 478.590 0.321 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)n1cccc1C=O 1835955544 KRVINVQEVDQQDY-FJAUERAPSA-N 476.530 0.847 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2)NC(=O)OC(C)(C)C 1836354879 UUWUBFUOAQBERM-ZHRRBRCNSA-N 478.550 0.734 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836789510 HAJXZGYYPVDQOX-YADARESESA-N 457.527 0.824 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836888521 BSERMDIDOPFEAJ-KTYCBKDJSA-N 472.502 0.328 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837211431 MVIDMYZKTJWLOT-XMSQKQJNSA-N 460.487 0.001 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C1\C(=O)Nc3ccccc31)CCO2 1837321252 KLHVPUJVSZAHST-MWDRODJMSA-N 480.521 0.337 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440176 DOUUQYIWQNHFMS-NMWDDECMSA-N 451.568 0.221 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837608462 FMGCISISRBLQMT-XDHUDOTRSA-N 478.509 0.237 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1)c1ccccc1 1837613546 ABZSZQIYMSGCAF-CJFMBICVSA-N 480.569 0.973 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc5snnc5c4)CCO3)C2)c1 1838510186 YEFFSDZQCQGNQR-FQEVSTJZSA-N 453.484 0.670 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)S)CC2)CC1 1838785875 JQQCMNKYXGKNOJ-AUUYWEPGSA-N 451.593 0.774 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)S)CC2)CC1 1838785878 JQQCMNKYXGKNOJ-IFXJQAMLSA-N 451.593 0.774 30 20 JCED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)c(=O)[nH]c1C 1838906240 APRDLKQNEXCFNG-HSZRJFAPSA-N 451.483 0.642 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)n1 1838951195 CTGOHISDORDSOO-VWLOTQADSA-N 479.537 0.929 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C(C)C)C2)C1 1839175951 MYBSAQCPVFDLOM-WMZHIEFXSA-N 451.564 0.825 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1839185724 JOOBTZNABAMWMB-HXOBKFHXSA-N 498.577 0.658 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)o1 1839186460 VHJRVSDEOGFQFS-QFIPXVFZSA-N 457.462 0.630 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)CCO2 1839262778 ZBWKMCKJPXCART-SFHVURJKSA-N 499.261 0.903 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839274304 REXBUXZBEKBYJF-PGRDOPGGSA-N 463.487 0.944 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839380567 LHIIATWCOHUOQD-UJBXUPAJSA-N 481.557 0.809 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839513694 XNTUJEPLBIOQMB-KOSHJBKYSA-N 470.526 0.979 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839683569 GUANYYQBWWIWLD-DOWHCJKDSA-N 454.524 0.476 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccc(Cl)cc3F)C2)C1 1840041822 JPWOZRCMIJNUAT-QFIPXVFZSA-N 490.875 0.823 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1)c1ccc(O)cc1 1840219354 KGZZKNCNECFHBA-YADARESESA-N 457.527 0.482 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)cc1 1840227623 WKMIUQFIVHKLIX-YKSBVNFPSA-N 454.527 0.473 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819589 UUGJYRQJWPYKTN-DEOSSOPVSA-N 483.525 0.550 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(-c4cccc(=O)n4CC)n3)C2)C1 1840841874 ZRQLPVKWQULLIZ-RUZDIDTESA-N 481.553 0.846 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1Cc3ccccc3C1)CCO2 1840941517 QDKWUCKVDYOFJG-UTBBOMKLSA-N 453.539 0.716 30 20 JCED CCOc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1S(=O)(=O)N(C)C 517115939 AECBPPOLPZFNSU-UHFFFAOYSA-N 486.554 0.890 30 20 JCED N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 550104398 SMGYDVJQPLOVAT-UHFFFAOYSA-N 452.423 0.828 30 20 JCED CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC2)CC1 604028856 WBKSVBSVSDOVFF-UHFFFAOYSA-N 481.522 0.376 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCNS(C)(=O)=O 608911998 AGEAWIZVZDDSPA-UHFFFAOYSA-N 474.608 0.190 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(CCc3ccccn3)c2=O)cn1 726182397 SKXKZKJTEYXUJC-UHFFFAOYSA-N 457.519 0.818 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(C)(C)CN(C)C 727162516 ICGCXVMQTUHDRX-UHFFFAOYSA-N 488.658 0.715 30 20 JCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 728720642 MGJBHTPGWWGWCV-IUODEOHRSA-N 476.349 0.640 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 729671615 QUOXIJSRPCZYKG-UHFFFAOYSA-N 489.619 0.915 30 20 JCED CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCC(=O)NCc2ccc(C#N)cc2)c1 746542258 NFXOLPXOKGLCET-UHFFFAOYSA-N 460.512 0.686 30 20 JCED COc1ccc(O)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 749327143 DJBWILNPUIAGBF-UHFFFAOYSA-N 459.480 0.962 30 20 JCED COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 844146073 ISTYPVDPUCNJIK-UHFFFAOYSA-N 458.496 0.987 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(F)(F)F)cc2)c1=O 916199217 CXFUSBMABOKMFP-UHFFFAOYSA-N 467.469 0.937 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cccc2Cl)c1=O 916199441 GOBOBJJDUBXRQZ-UHFFFAOYSA-N 451.907 0.711 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 918285156 AWFZPCSAPZPFSD-XEFZIOHMSA-N 484.600 0.864 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2COCCO2)c1 918456141 PGRSILUVAIIXGF-PJWCADQQSA-N 452.533 0.750 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1CCOC 920832823 CUYPRRHFCNRPJO-UHFFFAOYSA-N 480.449 0.871 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CC1 1300883267 WXXKEWJGFBOYMZ-UHFFFAOYSA-N 467.574 0.959 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1517628011 QATPHHZEJVOLMT-HXUWFJFHSA-N 473.603 0.915 30 20 JCED COc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@@](O)(CC#N)C3)CC2)cc1OC 1679492454 OPWORMWSDARJCQ-FQEVSTJZSA-N 452.533 0.917 30 20 JCED CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1690929036 LDKVPSZUTCVKHY-UHFFFAOYSA-N 494.600 0.998 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1cccs1 1779100156 SWXGDSDKOMNGEZ-QNZROTIXSA-N 464.544 0.837 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1779105477 UQGYFVWVMCJAJM-REWVYZQPSA-N 494.570 0.599 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779543633 XOWZPEKZXCYSOX-SJKOYZFVSA-N 472.283 0.496 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC(F)F)c(O[C@H]4CCOC4)c3)C2)C1 1780087180 JUDGLSQXZQBCFR-HJPURHCSSA-N 494.447 0.987 30 20 JCED CC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170115 PIZQPILTXAMMTK-HSZRJFAPSA-N 477.562 0.493 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781307917 HOBLKIDRIFANOE-MRSOPCEHSA-N 492.573 0.359 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(C)C(=O)C(=O)O)C2)c(O)n1 1781541654 RCTDZLDCYAPYPX-HOYKHHGWSA-N 488.541 0.576 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1781862322 ZKUHXAIKMLBFKY-MBSDFSHPSA-N 484.513 0.721 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1782785285 YSGOORGCRNMWSD-HSZRJFAPSA-N 457.483 0.010 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@]4(CN(C(=O)CCC#N)CCO4)C3)c2n1 1782884756 ABKSEHPQRTUOEA-JOCHJYFZSA-N 484.517 0.260 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4ccc(C#N)cc4)[C@H]3C2)c(=O)nc1O 1783445639 KQRJWAAFVCKJBJ-ACRUOGEOSA-N 479.537 0.742 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784278052 RRVYBCWUJLOATO-FJIDUMEYSA-N 480.562 0.888 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1784783845 YFVWBYQVQFGZCB-FJIDUMEYSA-N 481.594 0.707 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785245758 QKGWFOAGVUKQSI-HRAATJIYSA-N 483.612 0.469 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#Cc4ccccc4)[C@H]3C2)CC1 1786560502 UDZHMIZJQMQRNO-VABKMULXSA-N 452.555 0.182 30 20 JCED Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)c(=O)[nH]c1C 1788655450 GTUVFPQLGQXULC-ACJRDWDUSA-N 461.519 0.509 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)NC(=O)c4cnccn4)[C@H]3C2)c1 1788706253 ROKHMBPIYNQDKU-SJJRHLGGSA-N 492.536 0.769 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)[C@H]2C1 1790684316 NOUHNSPIXUSPKT-BQTQOVSTSA-N 495.502 0.981 30 20 JCED Cc1ncc(Br)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791073944 DNYOEORZJNRQFA-RCBQFDQVSA-N 450.289 0.834 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCN(C)CC2)c(C#N)c1 1795446639 JPIYACKCSGWKNM-GQEURGSBSA-N 469.586 0.336 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1795586033 FGVGTPQJJLGKAD-KYHPRHEASA-N 460.535 0.332 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598547 KOWCUKHEYZABQK-PJVZLEMVSA-N 493.605 0.228 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(=O)OC(C)(C)C 1796393464 RHXCHZQOWKACSP-JCECYMMASA-N 453.536 0.154 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cscn2)C3)ccc1F 1799325612 OYCYOBZTJDFTKD-MNDZRTMASA-N 457.531 0.856 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2F)[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779102 UNTIHVCCQRZRBZ-PQRZEBCXSA-N 479.505 0.400 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)[C@@H](O)C1 1801983204 OEEHEKVMXGRPPI-ADHGMGHFSA-N 462.547 0.498 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1802484646 XHIBLWHRXCJJPK-YLRDJVGTSA-N 452.471 0.461 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H]1c1cccnc1 1803547830 QJNOSLPAKFAAJL-JRGCBEDISA-N 476.599 0.797 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2 1804460164 SNKFDUWIFRSACZ-QKPAOTATSA-N 450.540 0.880 30 20 JCED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)C1 1806011501 IGHZUVQSTZJIGV-UHFFFAOYSA-N 455.621 0.931 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810279349 UOAWNMMOUNJPFK-UWZGDBCVSA-N 466.542 0.874 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)sc2C1 1816977181 ZPJYHKPRWIPUEU-KJOMZIQVSA-N 493.586 0.799 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)[C@@H](O)C1 1820798266 QSRUCEGVOHSUSS-BPUTZDHNSA-N 475.502 0.718 30 20 JCED C=CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CC2 1826059456 HUBKZOYJRCXZNZ-KWCYVHTRSA-N 463.585 0.811 30 20 JCED C#CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 1826415693 GVUISUFJOBBYFU-CQSZACIVSA-N 497.581 0.696 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CC(O)C1)CCN2C(=O)OCc1ccccc1 1828542652 NOJVHMGYSSDBGH-RGELYXPASA-N 469.494 0.297 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1828581090 YCOICCGXPSDTII-DFIYOIEZSA-N 484.553 0.611 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(N5CCOCC5)n4)C3)C2)C1 1829668437 QDNRABWZCLJDPS-DEOSSOPVSA-N 456.543 0.954 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cccnc3)C2)C1 1829764993 DUFPOHNCEWJVKD-AWWPTUBISA-N 457.531 0.197 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN(CC)CC)C2)C1 1829771236 NBDZKAPAWXCBOE-SFAKIEOFSA-N 450.580 0.279 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)N1CCN(C)CC1 1830468748 WSJFGCFNTCLCLM-CJFMBICVSA-N 489.016 0.784 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1830644903 ZUCVLYZJCWTKQZ-HSZRJFAPSA-N 474.514 0.981 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1831397368 RKUFQDSPHYWSBN-WZONZLPQSA-N 483.562 0.022 30 20 JCED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831516619 FTPKVQZVIQAJJU-VXWZWFMZSA-N 459.543 0.973 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1831999027 XEACGARSUTWBOB-DVECYGJZSA-N 496.605 0.781 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4noc(C)n4)CCO3)C2)c(O)n1 1832925545 BIDLYZCODXHEFV-HSZRJFAPSA-N 471.514 0.910 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CN3CCSCC3)CC2)CC1 1833074639 UWHRQBVWJWOZLD-ARJAWSKDSA-N 463.648 0.465 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833400930 QBPIIBCZVIHRRT-QMHKHESXSA-N 493.561 0.665 30 20 JCED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H]4CNC(=O)O4)CC3)CC2)ccc1F 1833513414 MRVWTLOIYIOJMC-FQEVSTJZSA-N 457.506 0.920 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834527861 JHTOSAGORNUAGA-VQTJNVASSA-N 489.617 0.753 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835390371 SJTILMGPLDDULB-MBSDFSHPSA-N 466.579 0.311 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836258122 UPAQTPVHDVEBMG-JOCHJYFZSA-N 480.587 0.901 30 20 JCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)N1CCN(C)CC1 1836374367 XAWOJMUYNMGNME-IRHAFTAZSA-N 492.665 0.723 30 20 JCED COCCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1836551183 LAWPFSYOLHSANN-DEOSSOPVSA-N 474.558 0.298 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)[C@@H](C1CCOCC1)C(=O)N3)CCO2 1836783124 NXBNUPMRCJCWSI-RDGATRHJSA-N 467.522 0.852 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1837367692 SCSWJVWLXUKSCM-WAIKUNEKSA-N 493.561 0.178 30 20 JCED CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493668 QFEUMCGCOCTOAW-GCJKJVERSA-N 454.589 0.255 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nc1 1837524431 HTPHFCRMXFRLOI-ALUBYUQESA-N 475.546 0.747 30 20 JCED NC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1ccccc1 1837562724 OHSLBABCCFWIJA-MUZGUSJISA-N 454.527 0.897 30 20 JCED O=C(C#Cc1ccccc1)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1837730683 YSZVTMFEQOTRNQ-RUZDIDTESA-N 455.555 0.687 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1838422433 YIHMAFGVPMIIOW-UHFFFAOYSA-N 458.515 0.373 30 20 JCED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)c2n1 1838737465 UFZSTCNLHCDFTG-HSZRJFAPSA-N 463.498 0.930 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049014 DMVNPKDSBJZPOQ-VGSWGCGISA-N 458.519 0.529 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1839173827 NURUWBHEWZSYNB-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1839176461 PRWLYVYRGJILRR-UUOWRZLLSA-N 488.541 0.166 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839435404 WKIKIKMXWQPJDN-WZONZLPQSA-N 453.499 0.376 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1839838937 TZZLKCCPJGUJCP-IUKKYPGJSA-N 469.579 0.931 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839887571 IUZQWUZWCPLIHQ-LJQANCHMSA-N 456.446 0.979 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1)C(F)(F)F 1839892889 JCLJKXKFZVMDAH-LIRRHRJNSA-N 471.436 0.170 30 20 JCED CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040346 WAOJNSOKILUYJG-KOSHJBKYSA-N 495.573 0.860 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840908893 RHMXGDPNWBXFDC-CKJXQJPGSA-N 455.577 0.678 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C1 1841431212 HSVCUSNLDISDTN-MRXNPFEDSA-N 453.536 0.975 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)C2 1841600721 PGLMOKPUVGUHKW-MRXNPFEDSA-N 472.546 0.884 30 20 JCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1846904851 QDRQNIDWBROTRE-OAHLLOKOSA-N 453.586 0.843 30 20 JCED C=CCn1c(=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)sc(=Cc2ccnn2C)c1=O 502014928 KYKIBCCHNQTKGF-UHFFFAOYSA-N 494.489 0.650 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2sc3c(c2C(=O)OCC)CCS(=O)(=O)C3)C1=O 508800722 FROKNJFZNSDVCF-UHFFFAOYSA-N 469.497 0.311 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3F)c(=O)n2-c2cnn(CC)c2)CC1 523181931 MTBCEVWKNNAWIX-UHFFFAOYSA-N 480.569 0.922 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cnn(CC)c3)c2=O)cc1OC 523864904 IEVOEHHPEWCCLD-UHFFFAOYSA-N 483.550 0.780 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1CCc1cccs1 524336793 IGMZAUNZPLUCJI-UHFFFAOYSA-N 495.630 0.560 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 603093760 PXOASOGXAWVANA-HNNXBMFYSA-N 456.528 0.927 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1CC(C)C 603795647 CMMZJUDSLBSKLQ-UHFFFAOYSA-N 475.567 0.857 30 20 JCED CC(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403729 MOVJKSCRNFGQQQ-OLRQPGBRSA-N 481.600 0.329 30 20 JCED COCCn1c(C)cc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1C 726576903 CSRVAFVOQFCLBK-UHFFFAOYSA-N 497.602 0.697 30 20 JCED N#Cc1ccc(N2CCC[C@H]2C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 728345810 RLHWNMHAMNPYLV-UXHICEINSA-N 460.556 0.402 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)CC1 728589968 ORDZYNGDBYJRBX-UHFFFAOYSA-N 484.365 0.595 30 20 JCED Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)n([C@H]2CCS(=O)(=O)C2)n1 799650617 IMOKIIGSDLYHGR-HRAATJIYSA-N 470.511 0.829 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c(=O)n1CCOC 838256640 MRFMMXXXYMJDPR-CQSZACIVSA-N 455.536 0.693 30 20 JCED CC(C)NC(=O)C(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 849198046 CSGHIWAJGZKWDQ-UHFFFAOYSA-N 477.587 0.481 30 20 JCED N#Cc1c(Br)cccc1OCC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1296367513 KEQZUGJSONPSCN-UHFFFAOYSA-N 454.306 0.956 30 20 JCED CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1316343398 JKQZBNXBWFXSOW-LJQANCHMSA-N 488.570 0.601 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 1442031852 MNHQNZUPVDLHKN-PXAZEXFGSA-N 459.450 0.915 30 20 JCED Cn1c(CC#N)nnc1SCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1473026907 XPARDEHSVXVUOX-UHFFFAOYSA-N 456.500 0.785 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2Cc2nccn2C(F)F)C1 1505141633 SBICQJIVECIVPK-AWEZNQCLSA-N 470.506 0.991 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1 1541513963 KMXMWPOYHNTPPV-XLIONFOSSA-N 470.596 0.529 30 20 JCED CS(=O)(=O)NCC1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1643047916 DTFHARFVPOLGSB-FQEVSTJZSA-N 451.568 0.796 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 1648445643 WWZUIYSNGGOPSI-YRNRMSPPSA-N 458.581 0.746 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1691004890 VOEYJFWPRMWWKK-YJBOKZPZSA-N 458.548 0.903 30 20 JCED C[C@@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccco1 1692813750 LKUCZCZANGJSRW-OXJNMPFZSA-N 464.548 0.852 30 20 JCED CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1706647041 JRUBMWMUDREYMY-SFHVURJKSA-N 475.575 0.644 30 20 JCED Cc1cccc(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)n1 1707609275 KYAHRGHVPXRBRY-RTBURBONSA-N 475.575 0.676 30 20 JCED CC(=O)N1CCN(CCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CC1 1741057128 ILZRQGCDASBJKN-KRWDZBQOSA-N 472.575 0.162 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN2CCCO)CC1 1751278745 LKBUVYFVOZUSFB-RTBURBONSA-N 495.650 0.588 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1778739475 NYSPMISJTOKMDV-QZTZHPFYSA-N 493.557 0.614 30 20 JCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2)N1CCN(C)CC1 1780639679 RJKXIEYSMLYBJY-DCLXLUIPSA-N 462.639 0.418 30 20 JCED C[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170191 VMSRPOHWYGCGSW-AOMKIAJQSA-N 450.536 0.738 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1 1781188403 MLJZPTBQGBHZLP-DYESRHJHSA-N 466.487 0.445 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)ccc1F 1781295027 GJILPAPYWSIODZ-JOCHJYFZSA-N 453.430 0.872 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1781311093 NFISMRAZQIWSEO-YKSBVNFPSA-N 482.541 0.979 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782665303 AONQMCTUOIPCJX-MHECFPHRSA-N 489.573 0.933 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccc(OC)cc3)C[C@@H]21 1783528619 YBSOTUFNGTUXOV-FHBGBAEYSA-N 457.527 0.567 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21 1783531427 YKWDSUMSWBOEDN-GRNXDFJHSA-N 456.499 0.305 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561761 KDQPJYMNUMIRTQ-VBKZILBWSA-N 471.457 0.549 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@@H](C(=O)N1CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C1)C2 1783566138 ZEJCFNXUOHLOOH-REYXVDKWSA-N 475.542 0.940 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCO2)C1)NC(=O)OC(C)(C)C 1785304846 IGXDGZJWHGUXNO-JTSKRJEESA-N 455.552 0.685 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)Cc3cscn3)CCO2)C1 1785575001 WVJUWJRCPWHGSG-IXFSTUDKSA-N 491.614 0.759 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1785575028 XAHZLKSCIZRDGM-HXOBKFHXSA-N 462.547 0.355 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1785576043 HEZJKGZXEORCSI-QRQCRPRQSA-N 459.503 0.130 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)=O)C[C@@H]21 1788544045 GCRSIJRDFFSODM-FJIDUMEYSA-N 496.561 0.361 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1788758029 PIFQGMAHIQFFSD-CJCBUOBESA-N 450.499 0.719 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1)C(C)(C)S 1790854101 SMPLVAUAHFWDDR-YRBFXIGRSA-N 486.635 0.833 30 20 JCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792272114 HXRVQSAWRADWCZ-XSLAGTTESA-N 464.563 0.538 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1792795484 QOJJKIDTCOMZOO-PTKBGWIASA-N 481.615 0.651 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793088237 XWHXJUOLAJDNCL-AVEIZBFRSA-N 470.567 0.653 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCNC(=O)OC(C)(C)C 1793088333 ORYBKZUOSSFHBG-WERVVEIQSA-N 497.589 0.172 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)CC1 1793256997 LICFRYLNDNRHGO-OPVJXMOQSA-N 461.559 0.751 30 20 JCED Cn1ncc(I)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793259176 MMWRYYAHDMKOFF-YWVIFJGQSA-N 468.295 0.641 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2 1793595536 QSXNJDZSNPVFAW-BPKGMFCQSA-N 467.567 0.492 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2 1793598989 KGMQQQLMRFEZOX-YALNPMBYSA-N 461.519 0.855 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795279604 IXOSYHMHBINIQM-WEMPKCCASA-N 484.553 0.396 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795416476 WDILYCSDDAGQNR-OLGMOKKQSA-N 470.592 0.542 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N)N1CSCSC1 1795599156 XOCJRDATKUBVTI-NXOAAHMSSA-N 455.650 0.901 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795602541 REUFQHNLUWHDBJ-SFNKJDCFSA-N 491.589 0.784 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O)NC(=O)OC(C)(C)C 1795639516 HLNBYXURSUDTBP-WFNPHZEWSA-N 481.594 0.028 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795848888 FPRNTGFOWHXJSS-FAQVEIGNSA-N 452.467 0.550 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)NCC(C)C 1796467777 DKHXQKJRMQTPLQ-NHWFWODHSA-N 478.590 0.818 30 20 JCED Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c2ccccc21 1797172309 CKWDMZBDIDUMQS-PSLDLGPFSA-N 485.541 0.459 30 20 JCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)cn2[nH]cnc(=O)c12 1797784051 HICMUFATIFJQKI-XEMDLRDOSA-N 467.526 0.233 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797836088 YNZKRUKCMDBHFV-GIECYPEWSA-N 482.537 0.468 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn(C)c(C)c1Br 1798713599 AMXGZGZIMNBSRB-AYDFFVQHSA-N 453.337 0.733 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c(C(=O)OCC)ncn2C1 1800326984 XHIAEBSXTAFFLL-HPUSYDDDSA-N 488.585 0.785 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O 1800541117 FIZSSKHBCFZHFW-JTJHWIPRSA-N 478.590 0.799 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C(F)(F)F 1800551943 SKCMIYICAHEXLN-HLPPOEQASA-N 465.469 0.970 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2)c1ccc(O)cc1 1801058669 JKVDLZODZYDVIG-SDLUEBNPSA-N 452.515 0.727 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1802892941 IPLWXONALUMSFN-BWPZPKMVSA-N 478.505 0.355 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C2 1804405323 FKYMSKKMZNKQKF-APFOCMHESA-N 463.579 0.687 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)cc1 1810348138 IRWBUPSPOJEQIJ-NMVJMZGASA-N 463.538 0.852 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819769942 GQZOOKMAXQNIMJ-JRABBWDTSA-N 470.621 0.855 30 20 JCED CN(C)C(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819900131 DNQOJNHTRPDCPF-RONGGUFTSA-N 452.537 0.855 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)NC(=O)OC(C)(C)C)sc2C1 1823563279 BIDOTDNUZPRDAO-NBWRSZICSA-N 479.559 0.757 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399635 DCDMXBDEGYFGTC-WMLDXEAASA-N 458.523 0.847 30 20 JCED C=CCOCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828584163 XCFMNSJAQOWLAJ-OFVILXPXSA-N 487.601 0.707 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1829332457 MDDJQGZAGBISBW-DVECYGJZSA-N 469.494 0.706 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1829335100 UYKNOMHVKLHDIH-KBMIEXCESA-N 496.520 0.053 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830883244 DGPXXHAXPRIHHX-GAJHUEQPSA-N 491.545 0.232 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831200368 AHMRTDFYGCEAGB-VCOZGABYSA-N 451.568 0.221 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4N=C(C)CC4=O)cc3)C2)C1 1831396593 FVZQANCBNQWVLH-DFBJGRDBSA-N 482.537 0.908 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1831432857 ORKWBORUMIUHFD-IVZQSRNASA-N 479.486 0.970 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4noc(C)n4)CCO3)C2)c(O)n1 1832925546 BIDLYZCODXHEFV-QHCPKHFHSA-N 471.514 0.910 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c(O)n1 1833699918 HRSINYBDEDCNEX-QHCPKHFHSA-N 472.498 0.770 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715426 DJTVXIMFJJZQQQ-QGZVFWFLSA-N 469.652 0.521 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(C)=O)CCO2)C1 1834875085 MIPWEHYFIJPTFN-FDDCHVKYSA-N 465.547 0.729 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835629858 KZXXJQURIIEKQK-WAIKUNEKSA-N 491.545 0.552 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)c(C)n2n1 1835677437 RJPSGZGXGFGDSN-QHCPKHFHSA-N 484.561 0.093 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731938 VBTNYARRVBHDRP-DOZBRYHWSA-N 464.611 0.181 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836115239 OHRFPESXUVTHLT-OAQYLSRUSA-N 464.544 0.535 30 20 JCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1836516131 VOVHFDCBEJXYGO-JCGIZDLHSA-N 497.687 0.056 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836650754 MDAXAOXJRRCYRR-XNFLAMQZSA-N 473.526 0.976 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)N1C[C@H]2C[C@H]2C1 1837286250 FNGOVRFMTKUTHW-HSGJQSDISA-N 459.587 0.482 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1837397229 UDEPEFYUEAXANZ-GGUMNFRJSA-N 499.605 0.556 30 20 JCED COc1cncc(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837441148 UULWDARDCMGKHG-NHVVDLMHSA-N 473.574 0.951 30 20 JCED NC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc1 1837493697 RNRDXZYUPDAKRP-RUZDIDTESA-N 469.538 0.554 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1837528718 NINYYLYOFXZVOD-KBVBPZEESA-N 471.514 0.933 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)nc1Br 1838378773 HVRVKSNTYVRTJQ-LJQANCHMSA-N 482.287 0.011 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(N5CCOCC5)n4)C3)C2)c1 1838736215 QYRGMZTWPUBRMG-XMMPIXPASA-N 480.525 0.502 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907508 WNZSXKLPHHNGGF-REWPJTCUSA-N 473.482 0.123 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1838907734 LFIUAYGBHSVZCZ-YADARESESA-N 455.559 0.264 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1 1839190896 JLAREEFPZBOZAP-PXDATVDWSA-N 488.585 0.876 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419368 XBSRIAHMTVYOID-HXUWFJFHSA-N 460.491 0.974 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)COc5cccnn5)C4)C3)c2c1 1839488677 BRQHZMPSTHLMBX-HSZRJFAPSA-N 477.481 0.374 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)COc2ccc(O)nn2)CCO3)cc1 1839667520 VCLUZTMXEXSBNM-XMMPIXPASA-N 481.509 0.522 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840004586 GEDJDAWIKRTNSW-VNXZQDSDSA-N 450.532 0.769 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)c1 1840106100 CIIUMDUFJSHALK-QHCPKHFHSA-N 458.490 0.780 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1840108235 HBJMQQJQIHCODA-JKSBSHDWSA-N 493.565 0.160 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1840162374 VYDFOIBPIANZHJ-PEBXRYMYSA-N 457.556 0.959 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1840371650 VJFSWVABSPTNDC-RCZVLFRGSA-N 494.552 0.293 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)n1cncn1 1840415194 VKGXTJIPAVKORJ-JPYJTQIMSA-N 452.515 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)c(OC)c1)CCO2 1840680867 FYAPHOOCZRHMDP-KSEXMQBYSA-N 461.490 0.763 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)C(C)(C)C 1840818728 UNIADMXQWSBVGI-RCZVLFRGSA-N 486.569 0.944 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840883125 TVUZGBBWXNGHTC-HJPURHCSSA-N 494.545 0.203 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F)C2 1846196310 KAANDOIBAVFPGX-UHFFFAOYSA-N 451.401 0.869 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCNC2=O 1847939397 FVPGXSKWYYNUIT-PVAVHDDUSA-N 472.546 0.911 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)N1CCOCC1 1847939858 JALRYOMJCCRHEW-VUHPKUFZSA-N 452.552 0.308 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 505973851 PAESGUINJQSVKU-UHFFFAOYSA-N 491.595 0.694 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)c1C 519493093 GWGVRCQFEJWUQO-UHFFFAOYSA-N 462.597 0.104 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 522536751 HCCSBTOHLRIGPJ-UHFFFAOYSA-N 460.515 0.812 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522537687 NYLIIYBADQCZCC-UHFFFAOYSA-N 498.561 0.550 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCNS(C)(=O)=O 589161912 ZVUNIUVDENPIBD-LBPRGKRZSA-N 453.611 0.947 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(F)c(C(N)=O)c3)CC2)cc1 604162700 PTFATTBMDNDOBT-UHFFFAOYSA-N 459.459 0.268 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(Br)c2)c1=O 604270433 ZFWVGUUEVSXFDD-UHFFFAOYSA-N 489.395 0.886 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(=O)N(C)C)c1=O 604533088 AGZMVNBEHZAUOS-UHFFFAOYSA-N 485.522 0.087 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN(C)S(=O)(=O)CC)cc1 643057442 YYOHOOMCNMBFDW-UHFFFAOYSA-N 460.578 0.219 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 728530458 GFYFBYBNQNEZLB-UHFFFAOYSA-N 459.551 0.357 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3F)c(=O)n2CCOC)CC1 916199087 AHLDOIVLVSYTFZ-UHFFFAOYSA-N 462.522 0.502 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 918436845 FYIDQHUZKLDHOI-UHFFFAOYSA-N 463.498 0.647 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1303811731 RJCXWAQLNBUZTE-HNNXBMFYSA-N 461.548 0.255 30 20 JCED CC(=O)N1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1508279504 RGZKKDNYKSVAHD-NRFANRHFSA-N 485.614 0.852 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(C)(C)O 1510219067 PKFGXLBIOOQFMA-CQSZACIVSA-N 465.555 0.997 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1512580742 KVUQAMMDPIRIOJ-FEHORTKBSA-N 468.580 0.281 30 20 JCED COc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1OC 1518408096 YIRCKTPYWJGFRQ-UKRRQHHQSA-N 450.521 0.683 30 20 JCED C[C@H]1COCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1613011782 VVDOOQHHINIKPV-WMZOPIPTSA-N 460.560 0.798 30 20 JCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1614028899 SSKDKMIZUCEETN-DLBZAZTESA-N 453.551 0.712 30 20 JCED C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C1CC1 1692726023 IYLKIKCVAAOWEM-SIXWZSSISA-N 455.560 0.536 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@]1(O)CCN(C)C1 1692770522 IQYOKSVJOIWECK-KSFYIVLOSA-N 473.603 0.996 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722479559 JSUXEZSMCZVBIA-CYBMUJFWSA-N 490.428 0.198 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1723961144 VUFJVYGTNROHFN-YSIASYRMSA-N 489.602 0.518 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1727225994 VMXBGEVAYRXXLR-VQIMIIECSA-N 492.650 0.655 30 20 JCED COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCOCC1 1749405938 YUAYFPIQIBFSOD-SJLPKXTDSA-N 481.623 0.508 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1OC 1768532057 SPLHOUPNYWTOTA-RDJZCZTQSA-N 476.559 0.973 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CCO1 1769260113 XHAMKKRDRRVKIX-SFHVURJKSA-N 455.519 0.548 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CC)NC(N)=O)C1 1777979693 GPKZMJSPYNQOPH-MNFWLRKXSA-N 493.605 0.864 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1779182496 HIYGTHWKYYSKPZ-BXKMTCNYSA-N 478.509 0.375 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1)c1ccc(O)cc1 1779879581 KFZJJXWLTVFLCJ-IQGLISFBSA-N 477.521 0.922 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C2)C1 1780912653 DYHCNKLOXJBDQY-MZNJEOGPSA-N 482.541 0.185 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2cc(C)c(O)nc2=O)CCO3)c(C#N)c1 1781175845 SSJUTVVYIUJVBU-XMMPIXPASA-N 481.509 0.210 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1781187252 DSPUSVYQFNUMMV-KSFYIVLOSA-N 466.535 0.967 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781311069 NBTXMTPZKSPPEL-XXBNENTESA-N 483.529 0.374 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781341725 ZGXDLDJKRJSEEO-QQMNAOGKSA-N 469.579 0.665 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H]1CCCS1(=O)=O 1781655291 YLIHFHFHGOAHOJ-JFKCJUGQSA-N 471.576 0.607 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1782195417 SXHNIZHEOKONOT-XMMPIXPASA-N 479.541 0.042 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1783134651 APHKREWXDOHINR-HOYKHHGWSA-N 478.509 0.654 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3CSCSC3)C[C@@H]21 1783531077 AZYWVYMEZNBHDE-UTIXKJGASA-N 468.645 0.868 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784388951 LJJMOJMGAFXSDE-JPLJXNOCSA-N 477.558 0.836 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1785572698 ORFZRQVRFKUAGJ-HTAPYJJXSA-N 490.517 0.538 30 20 JCED Cn1ncc(I)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786367598 RMLOLVBVYRGNSM-GVXVVHGQSA-N 457.272 0.532 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1789959380 FHXLRLHSQDOOKY-QPSCCSFWSA-N 456.590 0.627 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078043 RPNZHOFZBAEBHL-FULAYSDLSA-N 475.542 0.842 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(S(=O)(=O)N4CCOCC4)c2)C3)C1 1792443598 DZTPCMKWQVUXPS-VTYHHJSWSA-N 489.594 0.877 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C1 1792450219 FMMRNQHTQBKHTO-YWIBANCPSA-N 475.586 0.997 30 20 JCED Cc1nnc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)s1 1794106089 IUHYHTRMORPZSE-ALUNZNCISA-N 451.549 0.898 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(C)(=O)=O)N(C(=O)OC(C)(C)C)C1 1795361194 AUCHRFYLXOXZPG-DFGXFYAUSA-N 471.576 0.186 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795645797 MRSYSFQIRLACRE-BGGZRJPJSA-N 480.562 0.108 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2Cl)C3)CC1 1797306125 JWYMWEXBOQIXOI-OPMZPASUSA-N 473.961 0.579 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)NCC 1797698610 IHBPKBLMVIQFQI-AVEIZBFRSA-N 479.578 0.200 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CSCSC1 1797840614 SJKNHOGGPNLCHR-RDEJHRBNSA-N 454.618 0.477 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(OC2CCOCC2)n1 1798373382 OZDAOJBYTDOYJC-JINAQJPASA-N 484.553 0.701 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccoc1I)C2 1800775841 JWLXWIBLLYCSQT-WDAIWFPHSA-N 458.208 0.175 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800778826 HYSYKWNSPKZOAJ-AGYLXNLDSA-N 491.541 0.080 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1800799620 DUMQSPHOOAYNDX-IVSAIRAKSA-N 464.519 0.336 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(I)cnn1C)C2 1800986206 XPSYWAKUHDXJDE-MWGHHZFTSA-N 464.329 0.546 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1800989462 JEAQYJZVHDLPCR-RBGFHDKUSA-N 487.623 0.236 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1801007657 ADADYXJHKKCGLX-GZAFZTIPSA-N 455.471 0.254 30 20 JCED COc1cc(Br)ccc1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801122230 LJMIAQDAKJNIID-VTEUUUEMSA-N 465.300 0.678 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801528382 CQSSGLVWELVADY-KYHPRHEASA-N 473.592 0.480 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1808430831 CGXJNKHDTYXCPC-UZLBHIALSA-N 457.487 0.149 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1809665943 SRPQXILROUKSSI-NRKRDLSISA-N 482.585 0.110 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1810100445 UAPGVFLKVRQJRK-IMFGXOCKSA-N 462.503 0.661 30 20 JCED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2c2cccnc2)c(=O)nc1O 1810363017 DLQGYEOVIBMJAM-SIYPENMVSA-N 498.540 0.887 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3CCS(=O)(=O)CC3)CC2)c1 1824977601 ZPSLVTOPFWQZAN-HXUWFJFHSA-N 461.588 0.850 30 20 JCED C=CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828585142 QDJFYIDFNZSXLM-NTKDMRAZSA-N 497.556 0.716 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1828925060 MLVLHNBQLIVEFP-QHCPKHFHSA-N 466.498 0.618 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCN2C(=O)OCc1ccccc1 1829000696 KNEZTZLNFZBVIZ-DEOSSOPVSA-N 489.492 0.117 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cnccn3)C2)C1 1829332378 JAEHJNLJWMOJFA-XMMPIXPASA-N 477.477 0.630 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cccnc3)C2)C1 1829764998 DUFPOHNCEWJVKD-NBBDWSPISA-N 457.531 0.197 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1830425033 AFJUKBIDDCDJIU-AREMUKBSSA-N 481.549 0.637 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1830469836 HWTARHSZDNMIKS-HSZRJFAPSA-N 486.912 0.723 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831331460 DAMPXTTVDFSYOO-QFIPXVFZSA-N 463.556 0.382 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831485331 BIDYAUODWNDBJR-NFBKMPQASA-N 478.615 0.943 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1832000133 HVZGPAUJJWDXKZ-MHECFPHRSA-N 496.605 0.684 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCc5cnc[nH]5)CCO4)C3)c2c1 1832812735 CSKNWEZXPUGNQZ-HSZRJFAPSA-N 463.498 0.860 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)C[C@H](NC)C(=O)O)CC2)CC1 1834741778 DFGAYEHZZWWNJW-SFHVURJKSA-N 452.552 0.130 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1835402701 OVKHEVBRNYOCRC-DEOSSOPVSA-N 455.559 0.266 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835673189 YGRSYKUTDSNREY-QFIPXVFZSA-N 460.535 0.227 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)c(C(F)(F)F)n1 1836320715 KVNAXJCYADWOOJ-ZNQCYWAISA-N 468.432 0.813 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3Cc4ccccc4O3)CCO2)C1 1836647648 NTBDZVFSVYRUPR-RDPSFJRHSA-N 456.543 0.728 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836789508 HAJXZGYYPVDQOX-DVECYGJZSA-N 457.527 0.824 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837490809 BYNZQEOYOJOWLJ-DEOSSOPVSA-N 467.526 0.498 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1837524466 HZGSHXUPWVHCLC-OBKNTDCBSA-N 450.467 0.820 30 20 JCED CN(CC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C(=O)c1ccccc1 1837560214 TVCJSZYVQFOKFQ-JRCVBZDQSA-N 482.537 0.927 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837772199 PLTFVJOCJBENNS-QFIPXVFZSA-N 483.468 0.823 30 20 JCED COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838599571 LYYUBUIHJOLXLI-FQEVSTJZSA-N 450.879 0.638 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1 1838830530 CAIGPODALXJSPM-DEOSSOPVSA-N 472.542 0.644 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)N1CCN(C)CC1 1839102806 VIQUUQCHLMETNH-JHGPDTEOSA-N 490.626 0.579 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1839130896 ZOIJESSWUGBIMN-KHCICDEESA-N 494.589 0.274 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1839173841 OPKOOWZORFANJW-QHCPKHFHSA-N 460.483 0.995 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2ccc(F)c(C#N)c2)CCO3)CC1 1839186538 ZUEZDSAQVQAIKO-VWLOTQADSA-N 487.576 0.334 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1ccnn1 1839188274 VLANUTDWMDZCMB-ZHRRBRCNSA-N 456.478 0.549 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)C1 1839839597 GZFZHDKOGBVFSI-DFBJGRDBSA-N 485.585 0.690 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840017022 MFNARXSKVBKHIJ-BAEUJYSMSA-N 495.580 0.635 30 20 JCED CN(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110919 LTUPBAAFFRBDSM-VGOFRKELSA-N 488.651 0.606 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840165673 GQVHXENLWZITCJ-VQPPSCEASA-N 467.563 0.648 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840171488 IFMQCNZHXQQTJZ-JOCHJYFZSA-N 467.563 0.781 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840371456 LBDSJCPTOYEWNI-QPPBQGQZSA-N 480.525 0.099 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1)c1ccc(O)cc1 1840551286 UBRPIGUVUUJBOY-HYBUGGRVSA-N 492.594 0.780 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c1 1840716405 JGWYVCPWEWLOCI-CQLNOVPUSA-N 473.526 0.999 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1)NC(=O)OC(C)(C)C 1840795482 LBQZBQKQZSTFIN-HOOSLVGPSA-N 494.589 0.581 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=S)NCC)C1 1845760930 VDDMYXLPQILISG-HNNXBMFYSA-N 451.593 0.590 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C 1847812036 FNNGZBSQIHGWOX-BDXSIMOUSA-N 480.610 0.936 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c1 16559385 REORIKGDDJOJRJ-GDBMZVCRSA-N 456.542 0.179 30 20 JCED Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)no1 26047926 NYDJGRQJAXZCFZ-UHFFFAOYSA-N 460.516 0.572 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C=Nc3ccccc3S2(=O)=O)CC1 518521948 TWTHKCOUKJKDCA-UHFFFAOYSA-N 473.536 0.755 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccc4c(c3)OCCO4)c2=O)cn1 522389659 NRMABVUZMLYDMS-UHFFFAOYSA-N 465.535 0.914 30 20 JCED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCNS(C)(=O)=O 524281083 FSFGWSUNRLWVKT-UHFFFAOYSA-N 489.619 0.902 30 20 JCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 603464131 QOBGNNFMNJDKCR-OAQYLSRUSA-N 485.541 0.969 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 603988709 DJPXZDRKIUTGIA-UHFFFAOYSA-N 491.595 0.487 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O 608911647 NQKJJQLZCNQQDJ-UHFFFAOYSA-N 464.469 0.976 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)Cc2cc(Br)cs2)C1=O 726042266 HLTKWZUVDYLONP-UHFFFAOYSA-N 458.290 0.989 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726575035 DIHPLIVTRXIYOS-UHFFFAOYSA-N 496.552 0.989 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(N)=O 727160361 BWOJFTJCPODCLC-LLVKDONJSA-N 472.479 0.193 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1cccnc1 727814217 OOJFQVFMQWXJGG-UHFFFAOYSA-N 466.567 0.164 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccccc1 917355797 CRIKHTDDDFODPR-UHFFFAOYSA-N 451.552 0.905 30 20 JCED CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918422705 GIYOLOBWHIZKAN-PJWCADQQSA-N 454.549 0.588 30 20 JCED CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 921172787 ZRFADOOVJXMFCT-UHFFFAOYSA-N 494.551 0.924 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1294415192 WFFYGSGBUANJLQ-DOTOQJQBSA-N 456.590 0.192 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1299303648 URBRJNROOVVOJA-UHFFFAOYSA-N 457.560 0.815 30 20 JCED CC(C)NC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1360265928 YCELORMPVHBIGJ-OAHLLOKOSA-N 450.503 0.835 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)CN1CCOCC1 1360602604 PPFUZDCTCXVZRC-IBGZPJMESA-N 481.605 0.978 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1501901395 OCFHUFSJKLHNOQ-UHFFFAOYSA-N 462.562 0.984 30 20 JCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1503368162 UNFWFSWJNLCEJX-GOSISDBHSA-N 489.602 0.973 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ccc(F)c(F)c2)C1 1505138065 MSQOCDIOPXMMOT-CRAIPNDOSA-N 498.512 0.697 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1517630682 XTQXHSFXGVLTOF-UHFFFAOYSA-N 467.559 0.791 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1541928171 XEURSYRRKOGCOJ-NARAOEGZSA-N 497.576 0.676 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1554374215 ZMQMKIGYORRSMH-INIZCTEOSA-N 451.535 0.595 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cccc(F)c2)C1 1555813927 VLLLAYUXXPTXBV-ZWKOTPCHSA-N 464.523 0.722 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)C1 1615974012 YFZDYWXDEUAJOV-RRMPHLOHSA-N 460.560 0.875 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1712103304 YJELQADCPLMWTM-SFHVURJKSA-N 453.547 0.832 30 20 JCED CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1727423542 QDBXBSXKBNUWOL-UTKZUKDTSA-N 461.544 0.698 30 20 JCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNS(=O)(=O)c1ccccc1 1751930502 RSUTYPMCTJUNPO-INIZCTEOSA-N 467.559 0.942 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1778090409 VWEPJVULRYWZPU-NFBKMPQASA-N 495.642 0.625 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c2ccccc21 1778167548 QECKZNAVETYZEH-SFFGGSCWSA-N 468.558 0.642 30 20 JCED Cc1cc2nnc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)c(C)n2n1 1779019590 RQWSRZBYPOBDBR-XMHVBLFMSA-N 454.535 0.656 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2)c1ccccc1 1779184482 DGHYWTCKSCAZRS-QQKQFIJSSA-N 455.555 0.664 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1779561927 WWRBXIAPQWRKPX-ZILOHOTNSA-N 472.542 0.602 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(C#N)c[nH]3)C2)c(=O)nc1O 1780182513 XQTSTVDJRQQMNK-VGOFRKELSA-N 454.487 0.285 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1780335313 QVGKWHKQJFLWGB-VUMVONDWSA-N 487.557 0.948 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781339978 KMCRDMRCXLOJKO-WZZJPFNJSA-N 498.577 0.621 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCc4nc(O)nc(O)c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c3ccc(C#N)cc3)C[C@@H]21 1788636977 BLPPUHRGKQZDMR-CWBXHPNXSA-N 485.537 0.965 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Cn3cncn3)[C@H]2C1 1788725699 XBLWPQIMLLLREG-FSGKZVOOSA-N 488.589 0.811 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)[C@H]2C1 1792187376 KHWFQASRMSWJFD-HPLXBGGASA-N 473.545 0.891 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(O)C(F)(F)F 1793698325 GDYSWSSEEYUTQX-YJVQVXSTSA-N 477.480 0.806 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)c1nc2ncccn2n1 1796957399 QCQMXCUOZSVXSP-RKVKPCMGSA-N 452.496 0.828 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744509 XAKHYSCWYCNFHP-RBGXWKNESA-N 451.568 0.961 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C 1799221352 FEMINYLQOGZQLD-NYUBLWNDSA-N 478.590 0.751 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCNC4=O)C3)ccc1F 1799324685 QKCAAOYXVATMDP-VPTLXERWSA-N 466.473 0.083 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883032 DCKMZTAILZVZNS-WTLGNFPFSA-N 498.540 0.523 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 1802024718 UPPPZBOPYRSTEA-DBENCMRHSA-N 461.559 0.871 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1802892937 IPLWXONALUMSFN-AUUXCDECSA-N 478.505 0.355 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)C1 1809770931 IFMRIYXKNZLWKB-UHFFFAOYSA-N 467.636 0.230 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C2 1812439023 UMMGIQDGGWZIQM-IUKKYPGJSA-N 493.520 0.811 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812876827 YOZCMAFTUYMPIO-MBOZVWFJSA-N 473.530 0.418 30 20 JCED Cn1ncnc1C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828804981 YSBCEESIPVSEED-JOCHJYFZSA-N 451.487 0.794 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CSC3CCCC3)C2)C1 1829762792 RLFYIXZWDAIVID-KOIKXXGWSA-N 451.589 0.977 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3OC)C2)C1 1829771577 WFRUBJKHZROKSV-HMLKYZKVSA-N 457.527 0.553 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4o3)C2)C1 1829771870 YEFCPNVULVIBHU-YLNCNTMDSA-N 454.483 0.756 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCCC2)CCO3)c(C#N)c1 1829877156 PXRZOTYZUBNOHN-XMMPIXPASA-N 456.543 0.662 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1830514224 QQIHZVQNJDXIHO-HOIFWPIMSA-N 455.552 0.683 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831142978 JIOFIKZLBGIYMK-NTKDMRAZSA-N 457.527 0.253 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)c(C#N)c1 1831465177 YJALNNRAGBHBIR-HXOBKFHXSA-N 493.582 0.246 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1833465628 MSVHNXUHCXVMSG-GOSISDBHSA-N 482.647 0.268 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N(C)C(C)=O)CC2)CC1 1835124025 ILERTFXZIVZHBI-QGZVFWFLSA-N 450.580 0.934 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)[C@@H](O)C1 1835339429 MQABHHTXLREZQT-LLJLJFOGSA-N 492.573 0.364 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)C1 1835675253 KXFUNNXRELXZAJ-BWKNWUBXSA-N 483.569 0.918 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1835779332 BMLOTERNEYWVLF-BUVRLJJBSA-N 455.515 0.983 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)CCO2 1836289945 PVFBEUFVKVWTEU-VWLOTQADSA-N 494.552 0.049 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)c1 1837318931 DUQZSBJJNQARCD-IBGZPJMESA-N 455.389 0.734 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1837486336 BEGUXVDEOYWBFY-BAWHURIHSA-N 462.587 0.940 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2)C1 1837500238 WKWHCSBBTKAXIH-WMZHIEFXSA-N 468.547 0.930 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c2ccccc21 1837563224 LMUXPHSGOLOYAE-NGCBVDFASA-N 495.536 0.509 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cc1 1837567499 ODEOYNFMUJGYQU-IZEYGWMZSA-N 482.537 0.893 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838405747 OWZLQBDZRZYWTQ-TUCSVVMZSA-N 488.545 0.717 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1838499400 BEWJUGBSTLMTII-OAQYLSRUSA-N 459.528 0.079 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)cc1 1838503492 XJEVTVPJOCTNOW-RUZDIDTESA-N 488.504 0.539 30 20 JCED Cc1nn2cc(CC(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)nc2s1 1838732424 QEBNVICQBHCPDK-NRFANRHFSA-N 469.527 0.612 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)CCO2)C1 1839085244 CPPHZXBGBZVVNX-QGLBADPUSA-N 499.630 0.786 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1839130718 PBUDUZDTAWGCCB-YDIMBITNSA-N 481.590 0.911 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)cc1 1839361863 KKHDFMBDZLBQSZ-HXUWFJFHSA-N 451.426 0.933 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363602 ZBZQGFNQHAJHOS-MBSDFSHPSA-N 452.515 0.750 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cn6cccnc6n5)C4)C3)c2c1 1839488558 YSTYPJLMHYIPRX-DEOSSOPVSA-N 486.492 0.861 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839636872 QTSBECNFPPMZSR-SQJMNOBHSA-N 484.553 0.718 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839683808 NEOTUGBQFYEQQZ-FDDCHVKYSA-N 466.531 0.703 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c(C#N)c1 1839784183 SZERZHRSFMNYDP-NZQKXSOJSA-N 491.566 0.143 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1839801693 XTYVAQQWZVSAJE-QHCPKHFHSA-N 475.567 0.783 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCCCC1 1840042723 LMHYJBAMASKZOB-HSZRJFAPSA-N 493.557 0.758 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4c[nH]nc4cc3Br)C2)C1 1840043418 WZZKIOYITAIFIM-FQEVSTJZSA-N 491.298 0.483 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840160512 JCKKNRMWNCBLDW-BXTJHSDWSA-N 461.581 0.301 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1840165716 HUJRNAHFERNQRS-ULYRPOKDSA-N 497.618 0.620 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840795520 MYCFTQRGSUWYKA-FDDCHVKYSA-N 482.578 0.438 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1)NC(=O)OC(C)(C)C 1840796007 NVQXDBPXRKLZNN-NTKDMRAZSA-N 499.605 0.965 30 20 JCED CCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819101 OTYLCXIMSYZINU-HSZRJFAPSA-N 453.499 0.924 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CC)C2)C1 1840907480 WPGNNLOXGJWUBR-UUOWRZLLSA-N 489.573 0.890 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCN(C2CCN(C(C)=O)CC2)CC1 1847802091 KATDHLSQDDAZNL-LEOXJPRUSA-N 458.603 0.949 30 20 JCED C#CCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(OC)OC 18484332 NISPPHKXUMSEPX-UHFFFAOYSA-N 467.573 0.656 30 20 JCED CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CCC#N 489734898 AIFDMFMBBQGJRX-SFHVURJKSA-N 468.601 0.931 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1=O 510222961 NDDSEXAPOMZIQY-OKILXGFUSA-N 464.500 0.400 30 20 JCED C=CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 512709538 AWTNWMOSDJFZJK-IBGZPJMESA-N 468.645 0.841 30 20 JCED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 516485406 IBZPHVOABAQSQL-UHFFFAOYSA-N 472.527 0.499 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(OC)nc1 524275143 MWJBUQKAPNXVEB-UHFFFAOYSA-N 495.517 0.867 30 20 JCED C=CCOc1cccc(C=c2sc(=CC(=O)OCC)n(CC(=O)N3CCOCC3)c2=O)c1 603783757 DQVGQVMMTDVIFS-UHFFFAOYSA-N 458.536 0.506 30 20 JCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1 731127077 RWCWDNKXLJAIOB-UHFFFAOYSA-N 482.518 0.665 30 20 JCED NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 731192055 PEWSWGXRTGJUJH-UHFFFAOYSA-N 475.502 0.888 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)CC2)cc1 913081567 BLLNOZBAZGNQPI-FQEVSTJZSA-N 484.513 0.650 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 917688360 PZOANDBYAQIUCX-ULJHMMPZSA-N 470.511 0.697 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 918285153 AWFZPCSAPZPFSD-KDCJFMNISA-N 484.600 0.864 30 20 JCED CN(C)Cc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1314667785 SYECNPKJXRZDLQ-PMACEKPBSA-N 489.602 0.450 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCOCC1(C)C 1360707507 FPNDMWXVBZPYHQ-SJLPKXTDSA-N 480.639 0.176 30 20 JCED N#C[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NCC(F)(F)F)CCO1 1521129724 NQVJQPZFXHNBND-OAHLLOKOSA-N 479.467 0.859 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CCO1 1554452083 UVPNOHMLOZQFFQ-NRFANRHFSA-N 483.573 0.527 30 20 JCED CN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C1CCCC1 1618277956 OFEVNBOSWVJEJY-QZTJIDSGSA-N 467.596 0.214 30 20 JCED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N2CCSCC2)CC1 1712883155 UGFZYOOWPWCLCS-INIZCTEOSA-N 488.661 0.299 30 20 JCED C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1740797182 LVMSPIGTBYCTMM-UHFFFAOYSA-N 464.534 0.465 30 20 JCED CC(=O)N1CCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1749886180 YNBWGBNSJWQUBE-OAQYLSRUSA-N 455.498 0.531 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1C[C@@H]1C 1751233743 YRMVHNYYPSWLLC-YHUYYLMFSA-N 459.580 0.921 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1779109343 MURLDRZTCAIUKY-VYCHDQKOSA-N 470.573 0.206 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139072 KUUCKIBARLURIC-KMYGJPJSSA-N 450.492 0.372 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1781391669 UJAPHHHUNVDTLB-MHECFPHRSA-N 486.573 0.652 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1781400481 QKIVUWCNPRPCJA-VSDWSMLSSA-N 482.578 0.989 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(O)O)[C@H]2C1 1783867681 QNEVTJZUNSCMJE-OKYOBFRVSA-N 461.515 0.148 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]nnc3n1)CCO2)c1ccc(O)cc1 1784018715 XDTASPPBJSPQIY-MZNJEOGPSA-N 491.508 0.159 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090770 XNCCCARLVWFBLQ-NBGIEHNGSA-N 491.633 0.629 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C[C@@H]21 1784480305 VZERGQNMDWSWAL-ZFMNYDKASA-N 462.568 0.787 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CNC(=O)c5cccnc5)[C@H]4C3)c2c1 1785169901 CNAIBUUELOWQRQ-CUWPLCDZSA-N 487.520 0.853 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785314582 GOKXFEFNYWUWOS-UZUQRXQVSA-N 463.531 0.942 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccn4c(O)nnc34)CCO2)C1 1785574192 AWDPSISXRGVYRY-XDHUDOTRSA-N 498.540 0.795 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C3)C2)C1 1785607628 VYMMOZKRLBBISY-AOMKIAJQSA-N 450.536 0.551 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)C[C@@H]32)c(O)n1 1785772737 OHBBBCVWWDPZPT-WBAXXEDZSA-N 471.514 0.051 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)[C@H](O)C1 1786702093 ZVUUVJSYZXKINF-FKSLSLAPSA-N 464.563 0.888 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)NC(=O)CO4)[C@H]2C1 1788362194 DFRQOKUNXJJBCU-ZWOKBUDYSA-N 469.542 0.893 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnn3)[C@H]2C1 1788857836 KIVIWYLZQIGIMG-DKKFBQAASA-N 457.531 0.987 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(O)nnc4O)cc3)[C@H]2C1 1789272524 QMYNKDLZCDPQTP-WNHJNPCNSA-N 485.541 0.845 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCCS4(=O)=O)[C@H]3C2)ccc1F 1790749216 LJMOYCSESBWMDN-LWCVALJOSA-N 463.531 0.797 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCOC1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075577 AAISOEZUJDOKFU-BCYZHJNNSA-N 493.557 0.374 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]2C1 1791304301 ZJKHJJDXGKOQRD-QAETUUGQSA-N 483.587 0.701 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1792452615 WZOXKLKUYUCUFR-XRNRSJMDSA-N 481.590 0.785 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1792452617 WZOXKLKUYUCUFR-XVMXLUHGSA-N 481.590 0.785 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793085638 BZKJOIADRKRBMB-BQJWPVKWSA-N 459.609 0.806 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)CC 1793255148 PZHIPMDSUIVBOG-NRUGXNMXSA-N 464.563 0.407 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1noc(C)n1)C2 1793593371 JGRMBMAGJOTRAT-YYAJDYIMSA-N 463.535 0.980 30 20 JCED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCc3nc(O)nc(O)c3C2)cc1 1794108154 GCPFNSYVRNRMHO-AYMMHLMVSA-N 477.521 0.697 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794210640 SKIZIFKXQOKWJJ-ILOCAZANSA-N 489.573 0.920 30 20 JCED Cn1ncc(I)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795418298 AGKXMMRRKTUBAJ-GNXNZQSNSA-N 457.272 0.532 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nnc(Br)n2c1 1795925699 HMJJZVRZUWKRPH-JJAZEVLHSA-N 476.331 0.733 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncn3nc(N4CCOCC4)ccc23)c1 1795969383 XVOSAEGPSHESPH-UPHUGPLXSA-N 490.524 0.283 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1796393082 NGNWAUCATGNQBT-LKVCOOBVSA-N 498.577 0.645 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818062 HIOJITJTPNEISA-RFCBENFFSA-N 472.542 0.924 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798565288 LEPYVCNYKGDKBO-UPHUGPLXSA-N 474.510 0.548 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1799048911 SCEANOJPXBZRBE-BOLBYERCSA-N 473.549 0.815 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCN(C)CC1 1799180740 JCRZSILIYKYVSZ-WHZJULEDSA-N 493.649 0.681 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)OC)C3)N(C(=O)OC(C)(C)C)C1 1801103411 MKJHLLQBSBFDEG-DFGXFYAUSA-N 466.535 0.498 30 20 JCED CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)nc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n1nc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1C(=O)O 1805065042 VDACRKWDCCWYNH-MGPUTAFESA-N 453.455 0.965 30 20 JCED C=CCCc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c(O)n1 1805143235 UGRKZLBSOMUURJ-HYBUGGRVSA-N 497.596 0.907 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)CC1 1805953482 BYDVDULLLKAYJJ-ZPUOCTKUSA-N 454.593 0.404 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807142200 CXVWMKIALHVUPB-QRQLOZEOSA-N 478.619 0.697 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1807149536 IELSKBCSJLJUIA-LAUBAEHRSA-N 452.515 0.294 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1810279121 PAAUFVXKBGTTCJ-SBSGUARVSA-N 490.630 0.290 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(N3CCOCC3)cn2)[C@@H]1c1cccnc1 1812874944 PMKIFLZEYYCCGH-WZONZLPQSA-N 463.494 0.721 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C/N=C/c2ccco2)CC3)CC1 1818895240 PGFVWNGKHSDQKM-PDYUXYPTSA-N 472.571 0.931 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661526 VNZHZFXWHQQFRN-DGCLKSJQSA-N 466.516 0.419 30 20 JCED CNCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828989509 XGFXFZXTPNEYJC-XMMPIXPASA-N 470.526 0.526 30 20 JCED N#Cc1ccc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C(O)O)C3)C2)cc1 1829195315 DXYXDUWDNCAUJH-RUZDIDTESA-N 478.505 0.935 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(O)n(C)n3)C2)C1 1829260129 GGICOHGGCZFECK-HSZRJFAPSA-N 451.483 0.825 30 20 JCED CC[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330583 LLGPPAFGQYBYQX-FDDCHVKYSA-N 457.483 0.297 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)CC2=O)c1 1829638259 WGNBGJYUSXORRR-UUOWRZLLSA-N 470.526 0.808 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1829769282 QPMZOPHRIIDFJM-BNOLWBGWSA-N 488.932 0.540 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830773287 UOFHKKPYOJMYOD-RDPSFJRHSA-N 466.542 0.989 30 20 JCED Cc1c(Br)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)nn1C 1831217882 CHGWDIPCRGFIOW-FQEVSTJZSA-N 465.348 0.974 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CC3)C2)C1 1831394062 UOQGJMOXRPCNLG-VUMVONDWSA-N 479.574 0.784 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1831432222 JBVPGQNHECYFMP-VGOFRKELSA-N 455.552 0.947 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1831435554 UVKIYGIMRLQMTR-PMAPCBKXSA-N 485.578 0.310 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1832000524 RNAFPPQWLZLCJO-HKARXFIJSA-N 480.562 0.048 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246315 BWXCLPAPCMBACE-BLLLJJGKSA-N 456.389 0.389 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)cc1 1833468140 NXTDVEIQOZKJBA-DEOSSOPVSA-N 466.494 0.660 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csc(-n3ncc4ccccc43)n1)CCO2 1833610347 BUNDOUDVLWNSOV-HSZRJFAPSA-N 495.517 0.640 30 20 JCED O=C(CN1C(=O)CNC1=O)NC1CCN(C2CCN(C(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1833675779 JAQVYFQKOMMUDA-UHFFFAOYSA-N 485.972 0.815 30 20 JCED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834857530 OXHSUBUNOQNOBT-JOCHJYFZSA-N 455.471 0.458 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cn2[nH]cnc(=O)c12 1835100449 SWUFBWVOOAAUSB-RUZDIDTESA-N 475.505 0.453 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(F)cc3)C2)C1 1835672648 FWCUKIPTVZBRAK-QHCPKHFHSA-N 462.522 0.943 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c2cc(O)ccc2n1 1836826535 ICMKGGMOJGZDIA-HSZRJFAPSA-N 453.451 0.407 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837241684 PMBVFHVHVKHGMI-DQQVDPDQSA-N 459.565 0.131 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1837390849 DMEOZNIPTSWZJT-NTKDMRAZSA-N 456.543 0.906 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1837403430 STCFNIFSORGPOF-AOMKIAJQSA-N 455.552 0.541 30 20 JCED COc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1C 1837441782 FZEPKGQGFCVRJK-HBAGGBEISA-N 459.547 0.940 30 20 JCED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cccc1=O 1837488425 FBLLHOGKWPTUPQ-XMMPIXPASA-N 457.527 0.154 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837529029 OQRZJPYHBIBSQQ-PTJKWTKHSA-N 461.519 0.428 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1837530242 KBSJKCBUUNNWAK-HLJFKENESA-N 471.514 0.933 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565585 WTBBEZWXKXRBSM-YFUHISSISA-N 473.526 0.910 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(-c4ccncn4)noc3C)CCO2)C1 1838491030 SHFAJDYHNMCQKD-GAJHUEQPSA-N 469.498 0.548 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838604549 QSVKASJJBAKULO-QMHKHESXSA-N 487.513 0.340 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838808482 AAALMVNLWDAINR-HXOBKFHXSA-N 492.529 0.154 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044544 MMNLAGJQRYZVFC-OPAMFIHVSA-N 493.586 0.149 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839062026 XRWLLQIGZULWON-NBGIEHNGSA-N 486.569 0.997 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1839173693 GFTBVQPOVGOUSD-VWLOTQADSA-N 498.536 0.513 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1839185792 LSBQPGWMNGHMFN-IEGUWTFLSA-N 482.578 0.437 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839571016 VUZXAKWAYSSHLF-HSZRJFAPSA-N 456.499 0.914 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839624495 KCRCNNMCIZXOAX-BTYIYWSLSA-N 462.482 0.739 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839959744 UFRXETLYXZVOJL-GJZUVCINSA-N 470.566 0.745 30 20 JCED Cc1cccc(C)c1N1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1=O 1840040884 CIVFOEMRSITYBN-UQBPGWFLSA-N 483.521 0.201 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1840045127 RXAQOALASVSCIW-KKFFFLSNSA-N 491.541 0.319 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1840164991 UNRMZYXFJKWXHL-RJYKNLHPSA-N 499.630 0.786 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1840167991 ZSLKCLLSIHENGN-JPYJTQIMSA-N 467.563 0.786 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1840168673 YAGUHFBWJAZMNQ-WZOHSFFVSA-N 493.601 0.864 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCSC)CCO2)C1 1840201225 KRATZOCZZVEXGO-IUKKYPGJSA-N 499.630 0.473 30 20 JCED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1840321048 DGZFYCIGVCTRCF-FQEVSTJZSA-N 450.879 0.638 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)CCOC1 1840814680 DNDOTOBXRBYCGI-RPWUZVMVSA-N 492.573 0.820 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C1)CCC2 1840820407 NQXIECKEPUIEOA-RUZDIDTESA-N 479.537 0.929 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840896516 DKFFQHGLUKCQCW-WNVMFQPGSA-N 480.568 0.015 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1840906727 IIIOVIDMIDTNME-XRCYNCOPSA-N 465.547 0.130 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1840909048 LQELMJCXRBXDPY-UZUQRXQVSA-N 473.530 0.463 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)C2 1841603055 CMLPUNBPYPACGA-VMXHOPILSA-N 461.559 0.987 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153914 OQYQWVHUKPMJST-UHFFFAOYSA-N 480.573 0.665 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1845200414 FBAFYKNHPVFFNG-PKOBYXMFSA-N 466.579 0.700 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CSC(=N)N)C2 1846365974 IBNRTZLDRCGCAA-AWEZNQCLSA-N 498.606 0.622 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 1847805581 LYCLEEJQUYKVGB-QAETUUGQSA-N 451.520 0.683 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(C#N)cc2Cl)n(C)c1=O 1848150757 PVABMXYMUHDPAS-IRXDYDNUSA-N 495.927 0.474 30 20 JCED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 18393427 LZTWZCXEVXYXCE-CQSZACIVSA-N 452.514 0.844 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 511579756 JFJMAURDLUVMFU-UHFFFAOYSA-N 464.438 0.958 30 20 JCED COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 521286601 CAILLHQVBZCWDF-UHFFFAOYSA-N 470.507 0.745 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCc1ccccn1 522387296 HWVHCCSOGSQVPN-UHFFFAOYSA-N 455.565 0.578 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc(F)c3)c2=O)cn1 524023223 NNTCOEAHHJWLHQ-UHFFFAOYSA-N 466.494 0.804 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCNS(C)(=O)=O 524281815 ASOFDTAXPAATSV-UHFFFAOYSA-N 462.597 0.187 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)c1=O 648472082 PUBKXDJHWQIMPE-UHFFFAOYSA-N 474.543 0.212 30 20 JCED CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 727407501 SPMPYVLDJPPMEU-CYBMUJFWSA-N 450.542 0.901 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NC(=O)c2ccc3ccccc3n2)CC1 728530824 VGCPWBRUBHKTSO-NRFANRHFSA-N 467.595 0.980 30 20 JCED CS(=O)(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 729358229 LLVTUIYLPGHMJU-UHFFFAOYSA-N 451.482 0.422 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 729670943 CGZRTCSZTRFPCN-UHFFFAOYSA-N 485.509 0.497 30 20 JCED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 824404557 RTQNBRMTVDNFLG-INIZCTEOSA-N 466.498 0.929 30 20 JCED CN1CCN(C(=O)CCNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 916710569 LLGFEABORZPCSZ-PTGBLXJZSA-N 450.565 0.785 30 20 JCED CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 919318626 LFHGKJQEUPCQQF-UHFFFAOYSA-N 479.536 0.905 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286629124 KHXFHUOEZXEFHG-ZWKOTPCHSA-N 488.058 0.580 30 20 JCED CCNC(=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1296265559 ZSFQJQNSBRFYJV-FOIQADDNSA-N 483.570 0.359 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314675778 SBVAWZBIUQVGFG-QGZVFWFLSA-N 460.564 0.267 30 20 JCED N#Cc1ccc(N2CCC(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)CC2)c(F)c1 1464729739 TZAWUMMJMAGFEI-AZUAARDMSA-N 450.536 0.528 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1516853341 XCMIPOXPMGUINP-UHFFFAOYSA-N 469.575 0.816 30 20 JCED CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1598123247 QKXNMIMLHYSJJV-UHFFFAOYSA-N 464.574 0.990 30 20 JCED CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1)S(C)(=O)=O 1618102353 KVZRUXSSTXMQCV-QGZVFWFLSA-N 480.616 0.969 30 20 JCED N#Cc1cn(CCC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)c(=O)nc1O 1627823760 WOJYJISOBJTJMA-UHFFFAOYSA-N 450.499 0.334 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCOC1 1706886052 JWCOLCUJDLNRLA-RDJZCZTQSA-N 460.564 0.518 30 20 JCED CN1CCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1711281519 XVAKWRNZIJBYRW-QGZVFWFLSA-N 453.551 0.680 30 20 JCED C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1750059717 UETNSYNCCHAOQB-HNNXBMFYSA-N 455.610 0.489 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CN4CCN(C)CC4)C3)C2)c(C#N)c1 1778262166 SRSYTOLOHJPHMT-XMMPIXPASA-N 455.559 0.187 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778574447 WPEQDRQXCKJDMR-UZQCKINESA-N 454.483 0.319 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)[C@@H]1SC(=N)NC1=O 1779063579 XMCBAQDDDLYEMF-GIMINZRKSA-N 462.572 0.317 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780236898 YDXXWXLPXQBVEU-QJKPHDSHSA-N 472.454 0.625 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)Cc4csc5c4c(=O)n(C)c(=O)n5C)C3)C2)C1 1780921596 OBBKHGNYGKCLBH-QHCPKHFHSA-N 472.567 0.637 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1781271558 WISLXGYLBSHILY-IERDGZPVSA-N 455.508 0.169 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1781271920 RXJQGLGDYYMPQK-RPWUZVMVSA-N 495.573 0.698 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)N1CCN(C)CC1 1781299255 KHDCJZZOQTVBGJ-KOSHJBKYSA-N 457.550 0.706 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1781394314 CSOBFARLRIIJRK-OXJNMPFZSA-N 458.581 0.289 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963244 FBUFFBHAHGSVRF-WNSKOXEYSA-N 466.473 0.749 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NCC=C)[C@H]2C1 1783535359 ITHORSGXOBSBLJ-VKKXURQZSA-N 488.585 0.741 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1784439543 YXWNCPGTENGVFX-KNTRFNDTSA-N 462.572 0.408 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)cc1C#N 1785197477 KJMAHGKZZIJKJL-DEOSSOPVSA-N 466.494 0.714 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1785571486 BUJVMQGUGDTXCT-QRQCRPRQSA-N 459.503 0.542 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1785574343 HMBZMTZDUXAOGS-AOMKIAJQSA-N 461.519 0.667 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1785717437 BMXJLDWTPCZDNE-XXXZYALBSA-N 471.510 0.540 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786367995 CGFMWGKZPYZEPQ-NXOAAHMSSA-N 486.591 0.208 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC(N)=O)[C@H]2C1 1787412415 CFZAITPFFYXDHF-AVEIZBFRSA-N 479.578 0.330 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1792267943 NXGSKPCQLWBZCR-YZZQMHEZSA-N 476.574 0.714 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(N3CCCC3)ccn1)C2 1792488606 KGNYJUBPMPBHMT-UPZFBSBQSA-N 453.543 0.743 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1)NC(=O)OC(C)(C)C 1792586075 NVIKGHHRJQLNFW-YXZMJPADSA-N 478.590 0.962 30 20 JCED COc1cc(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3CC3)C4)CC2)ncn1 1793132734 NCRBPVBJDNKHOV-BBIADKPPSA-N 453.543 0.705 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3[nH]nc(C(F)(F)F)c3C1)C2 1793347993 UYDPDHZYFCAUBW-XKSGDERDSA-N 454.449 0.771 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2 1793599990 OFALJTMMFILLML-SFNKJDCFSA-N 452.552 0.572 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)CC1 1797139886 AYWDYAHFYPGRBD-HATOLVCRSA-N 490.582 0.198 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815926 YDXPVLRULACVHO-WTWHYTEFSA-N 498.577 0.381 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/O[C@H]2CCCCO2)CC1 1798494894 ALAGYUXTUXUKEO-VBIMJVFSSA-N 470.592 0.825 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2ccc(O)nn2)C3)ccc1F 1799326878 KCCJRDGRBQEIAR-GPVSGQMNSA-N 453.474 0.958 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CNC2=O)C3)ccc1Br 1799708318 KHNXGCLLSAFYRI-ZSBFGKGUSA-N 490.314 0.076 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCCS2(=O)=O)N(C(=O)OC(C)(C)C)C1 1800395920 OTGMNLLAAVKVQE-APAFKAMOSA-N 497.614 0.719 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1ccccc1 1800778621 LAIDVFMNYJEMOW-VQQMMKBISA-N 485.537 0.973 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2nccn2)C3)N(C(=O)OC(C)(C)C)C1 1801102429 KUDCDOAEAMMNEJ-ZMMAXQRCSA-N 460.535 0.433 30 20 JCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1801166676 AACMLKYUOPNZAZ-KYHREEPGSA-N 463.575 0.997 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1cccn1C 1801443998 KJIDXURQPMCPPP-SFNKJDCFSA-N 472.542 0.714 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2)NC(=O)OC(C)(C)C 1801931522 MNIRWXXPXSZPRG-XOPFUANDSA-N 496.605 0.086 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)CC1 1807145840 PRWFHKMVJRNVEY-FYYLOGMGSA-N 483.617 0.533 30 20 JCED CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1)C(=O)O 1807206253 USXHWQIVRVMNFD-AGWZTHCZSA-N 461.519 0.679 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1 1812875052 QPXRXOAXMTZWRD-FOIQADDNSA-N 456.480 0.288 30 20 JCED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)[nH]n2)cc1 1814497866 JANSSJYOIRUUKJ-KRWDZBQOSA-N 472.469 0.956 30 20 JCED CN[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1)C(=O)O 1819452178 FYQOPOBMGBBKDX-RBDRBDEXSA-N 450.496 0.994 30 20 JCED O=C(CN(CCO)CCO)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1822026528 LGNSZYPUUZDVGZ-MVAZDOBMSA-N 466.539 0.217 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1824506649 WEVWSNHBFJSPAJ-AZUAARDMSA-N 455.621 0.928 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1828583709 RCKSCDUBTSZEGC-NYUJMHJJSA-N 496.564 0.613 30 20 JCED O=C(CN1C(=O)CNC1=O)N1CCC([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828945074 MNMPGHOEFNUMHU-LJQANCHMSA-N 458.559 0.857 30 20 JCED C#CCCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334760 MTLAPFWPWYQYBM-DEOSSOPVSA-N 451.479 0.940 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830184240 JHCHKIAYHVUVFL-XXBNENTESA-N 480.583 0.733 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1831316317 AQYZJMYRDHNUHC-VGSWGCGISA-N 498.001 0.476 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1831398892 MRHSCJGXNPVCFY-QMHKHESXSA-N 489.481 0.490 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1831493864 XPKVQKGHGYTIQC-JTSKRJEESA-N 491.570 0.703 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1831999029 XEACGARSUTWBOB-NTKDMRAZSA-N 496.605 0.781 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832004858 QFSVZRZFJDYLLB-KHCICDEESA-N 497.589 0.670 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1832009823 VTSKWGIWQOSXFX-JLNKSRCVSA-N 495.573 0.951 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)CCC1 1832253595 MZHWUIJZVBLFLO-INIZCTEOSA-N 451.373 0.492 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1833434277 VMSDATMSNGCYMK-GFODGPHOSA-N 477.518 0.474 30 20 JCED C=CCCc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c(O)n1 1834026317 HKQSJQYECJYBEI-HXUWFJFHSA-N 498.584 0.689 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(=O)cco5)CCO4)C3)c2c1 1834609165 JIZRQAWFPFSBNV-QHCPKHFHSA-N 463.450 0.772 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CN(Cc5ccccc5)CCO4)C3)C2)CC1 1835341916 LYRUVOZKGRSXCH-BWKNWUBXSA-N 468.554 0.648 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835365731 TYXLFQAKDCRXAZ-JTSKRJEESA-N 482.534 0.203 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1835714107 WXRYYQAPQWWPEG-RTWAWAEBSA-N 481.590 0.626 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1 1835768824 FOIUKIIMNRQAJN-YNYZQSIGSA-N 488.545 0.889 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)c(C#N)c1 1836128355 KAECFCNOOXYBNZ-RUZDIDTESA-N 496.520 0.589 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)c1ccc(O)cc1 1836214266 MGBGIJULABUDBI-YKSBVNFPSA-N 467.526 0.637 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836651395 WBUHIMDSCXWETK-KQHYHWCPSA-N 456.543 0.918 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837094731 ZYBRYOISTLIVIH-JPHKLTHBSA-N 461.519 0.428 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837527691 SXJZKMHKXVJEAS-KTYCBKDJSA-N 472.502 0.557 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)C1 1837530122 JBTBDILJFCQMNO-CKLGFQRSSA-N 495.573 0.951 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3oncc3C)CCO2)C1 1838402596 KUQDGNLZZHUVRT-HXOBKFHXSA-N 476.530 0.970 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838568637 JLLHUFXJPZCIHO-CPJSRVTESA-N 490.553 0.479 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c([N+](=O)[O-])cc1O 1838600791 AMIBGXNGLQNNLP-OAQYLSRUSA-N 460.443 0.683 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949541 HTYVKPRULPTERY-YADARESESA-N 488.541 0.514 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839078056 ITZHHGABJRRARG-IPJJNNNSSA-N 451.640 0.217 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1839130792 UQBPLRUWQDFKTD-IMWIBFENSA-N 480.606 0.734 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)ccc1F 1839187826 ZDYHMBCDDSFUTE-XMMPIXPASA-N 481.484 0.730 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204496 RWHKQDNJFTYLCM-YZZKKUAISA-N 469.579 0.931 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-])CCO2 1839461896 BZPXJQQWPSAWIV-JOCHJYFZSA-N 459.455 0.865 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H]5[C@H]6COC[C@H]65)C4)C3)c2c1 1839489507 ZNLLMVVGTXDPEP-GNVZTASGSA-N 451.483 0.397 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532513 JTKNIHIOVIWZEA-VJIOCRDPSA-N 461.519 0.428 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1839888642 YZANQFHINHLMSL-LJQANCHMSA-N 473.498 0.767 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840017539 RPRLZZMGEMCNSC-SPWKAKNPSA-N 495.580 0.825 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840157362 MNCKRIAITDMGKH-AUSJPIAWSA-N 461.581 0.037 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)C2)C1 1840174600 NBGBQCJPZCDOPH-XMMPIXPASA-N 499.605 0.967 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840771806 QLSOELNIQLNRAO-KSFYIVLOSA-N 482.530 0.338 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)C2)C1 1840840093 XMNBQEQAMBDFKJ-CLOONOSVSA-N 469.538 0.918 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCN2C(=O)C=CC2=O)C1 1841756610 KJOCHPLHFBTNGW-INIZCTEOSA-N 460.531 0.974 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CCC(N)=O)C3)CC1 1845137252 ZNNDEFDUSJYWIF-INIZCTEOSA-N 476.578 0.323 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)N1CC3(CCCN3C(=O)C#CC(=O)O)C1)=NO2 1846197005 JODVRKDHLFSBRD-UHFFFAOYSA-N 474.514 0.824 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846366141 SXLMYMDMEVQJND-HNNXBMFYSA-N 478.502 0.083 30 20 JCED N#CCCN(CCC#N)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 9049316 DFQJQRKMQVPVMR-UHFFFAOYSA-N 451.461 0.650 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1 16114312 XAENDRVFRQLSHD-UHFFFAOYSA-N 479.536 0.544 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCC(=O)Nc2ccccc2Br)c1=O 19318044 RFALTVVTYWZNHD-UHFFFAOYSA-N 478.303 0.061 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 490955882 QCDZHNCLJNLLCS-UHFFFAOYSA-N 492.535 0.914 30 20 JCED CCc1cccc(-n2c(=C(C#N)C(=O)NC[C@@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)c1 502047061 VWGHYDQIRHWHDH-IBGZPJMESA-N 463.563 0.993 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1C1CCN(C)CC1 517993147 GZJNLAUUQFFJKY-UHFFFAOYSA-N 468.579 0.999 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)c(OCC)c(OC)c2)c1=O 522278617 LPTHYSWOOAVDEB-UHFFFAOYSA-N 461.540 0.611 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccccc3[N+](=O)[O-])c2=O)cn1 523182608 UBZAZDBTFCURQR-CQSZACIVSA-N 482.522 0.678 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Br)s2)c1=O 590985798 WKNYLTCDKOWCTC-UHFFFAOYSA-N 497.440 0.705 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 602251585 DHPVZHSXSGNLBL-HUUCEWRRSA-N 488.522 0.943 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OC)c2)c1=O 603796766 OGIHNQJULZCOAZ-UHFFFAOYSA-N 456.568 0.280 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 604535491 PCKLTUPUECVJLV-UHFFFAOYSA-N 496.593 0.923 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)cc1 608911535 IIULYMNORNQSPH-UHFFFAOYSA-N 465.462 0.707 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccnc3)c2=O)c1 609038179 IGYMAYMVQBMAJV-UHFFFAOYSA-N 476.558 0.918 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OC(F)F)c2)c1=O 747081270 YWHNLKNMHMOAOY-ZDUSSCGKSA-N 467.494 0.812 30 20 JCED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 856409562 UKNLKLYCRVGUHZ-INIZCTEOSA-N 466.498 0.929 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 913242737 LDEQSQXOGDJLNK-GOEBONIOSA-N 459.480 0.724 30 20 JCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 917134323 QLNXDXSEOGGDIF-OAHLLOKOSA-N 484.600 0.047 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCOC 917770785 PQWXEZWNGJYQQD-UHFFFAOYSA-N 473.551 0.373 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 918319767 XLKNHPCINSGAHW-UHFFFAOYSA-N 467.917 0.830 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1=O 921050375 NWFLOBFSZONHIJ-UHFFFAOYSA-N 479.459 0.978 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c(OC)c1 1300077474 SDRRPBJYCYWLEY-WBVHZDCISA-N 476.559 0.973 30 20 JCED N#Cc1ccc(OCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1Br 1472498972 USXWVJCLDQKQMH-HZPDHXFCSA-N 458.334 0.002 30 20 JCED Cn1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CNS(C)(=O)=O)CC2)n1 1503671138 BVSWWWJSECWGBN-UHFFFAOYSA-N 455.548 0.759 30 20 JCED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)s1 1612080827 WFEBMETZXQLDTI-GOEBONIOSA-N 452.562 0.758 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1693872411 MWILDTINNJYBCT-WJPUGNRLSA-N 476.559 0.464 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1698319853 QLOITYITPIJOPH-OALUTQOASA-N 476.559 0.662 30 20 JCED CC(C)CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1706444669 LJIIOCDOAMHJLN-ZWOKBUDYSA-N 470.596 0.527 30 20 JCED Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc(N2CCCC2)n1 1707293800 KNZCWMSJLPWRJA-WMZOPIPTSA-N 474.591 0.969 30 20 JCED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)ccc1F 1707296731 TZOCSLFCZJGTLX-FUHWJXTLSA-N 464.523 0.836 30 20 JCED COCC[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1712317480 IUGBLEALPFWJSF-VGOFRKELSA-N 491.618 0.874 30 20 JCED CC(C)N(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723525814 KBDSJXXEPGNHLN-VQTJNVASSA-N 494.666 0.518 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@]1(N2CCOCC2)CCSC1 1751206206 QVVCKXPNJSNANX-TXPKVOOTSA-N 471.653 0.835 30 20 JCED CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1767430569 UYIVVGZJOMCANS-PMACEKPBSA-N 453.565 0.610 30 20 JCED CO[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCOC1 1769773461 KCBQWJLIYPPBML-PXNSSMCTSA-N 468.580 0.547 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777711697 KDKSEKDVEDMYMV-OXFYSEKESA-N 470.617 0.920 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc([C@H](C)C#N)c2)CCO3)CC1 1778358413 IZPLGITXWSFVJZ-CLOONOSVSA-N 467.570 0.921 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1779006358 MRYRSCNOFUUCHE-XLQQFJOYSA-N 454.527 0.704 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779099342 UHJMRGFTPMEEAM-HXBCYVHESA-N 484.550 0.231 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C3)c(Cl)c1 1781107295 XXWRFHMDLHTVED-NJNPRVFISA-N 461.950 0.932 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c(C#N)c1 1781175459 LUPNZNNJZJQTOS-NRFANRHFSA-N 456.528 0.850 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1781271640 ZTWUZUDPOBXMHJ-GAJHUEQPSA-N 458.515 0.539 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1781392141 ZTYWFDDPKSYEOS-KKSFZXQISA-N 466.560 0.871 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781561022 VEEFKEYZGLXNRG-RADWXHQJSA-N 460.487 0.309 30 20 JCED CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782017955 XEFKFVWUCBJYDM-DCZWBIAUSA-N 463.531 0.892 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782559346 OTQJZNJIOSEGTA-UZQCKINESA-N 456.547 0.021 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1783131849 LIABRUKIFCKMDO-PXDATVDWSA-N 492.536 0.705 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@]34CCN(C(=O)OCc3ccccc3)C4)C2)C1 1783515076 XNSBHZWSYZMDFJ-RFLWCCGPSA-N 495.532 0.953 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)c1cccc(Br)c1)CCO2 1783565906 RRLZXMMVORFHGX-MJGOQNOKSA-N 451.273 0.400 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1783683447 KJWWQIFATWVUOB-QFIPXVFZSA-N 453.536 0.206 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783913392 VZOUUXWMKBXBFZ-FIRPJDEBSA-N 476.599 0.798 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784004558 FNNJRRVIKBVCCY-VSDWSMLSSA-N 467.563 0.779 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4cnnn4C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784086285 JOVIZDGXPAKWEQ-KSFYIVLOSA-N 460.535 0.824 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)Cc3cscn3)CCO2)C1 1785575002 WVJUWJRCPWHGSG-YZZKKUAISA-N 491.614 0.759 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1785578198 XAHXPDIWJHWVOR-OPAMFIHVSA-N 459.503 0.542 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786703311 GPRXOKLGEFZEHZ-FJIDUMEYSA-N 493.609 0.426 30 20 JCED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc(C(F)(F)F)n1 1789217399 MVIAMXBALKXQQB-UBHSHLNASA-N 455.389 0.790 30 20 JCED CC1=NN(c2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)cc2)C(=O)C1 1789628662 FDSRVNPZFFMQFU-WDSOQIARSA-N 452.467 0.481 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@H]4NC(=O)NC4=O)C[C@@H]32)cc(C(F)(F)F)c1 1790257228 KTWNXNVEHRJIOK-SJWGOKEGSA-N 493.442 0.768 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1791543531 BIWMYAAODPLBSJ-OWLYRPNTSA-N 453.490 0.648 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnn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c1cccc(-n3cncn3)c1)C2 1797815593 PYDJFLMXOWCFQB-FSHWOVLXSA-N 468.514 1.000 30 20 JCED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(CC#N)cc2)C3)no1 1797829500 SBMPIUQCKCTIEU-RMFSNUHRSA-N 451.483 0.682 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C3)c(C#N)c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n1cncn1)C2 1802139752 NJMSFTRLQROJFM-ZWCLTMICSA-N 488.589 0.973 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C2=NN(C)C(=O)CC2)[C@H]1c1cccnc1 1804114049 DBGZUVJUPBEUGI-WPLULJCXSA-N 452.515 0.554 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1804389042 DKPOKXAGMVLAKD-ILZDJORESA-N 493.568 0.747 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1810387408 FEDCTGZFOJXURQ-HQGJICSSSA-N 487.582 0.530 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1814062406 GPYSXGKNTCDIRD-AVRDEDQJSA-N 487.453 0.763 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)[nH]n1 1814439062 YGDJEIJTPFEOAQ-ZEVQVBBLSA-N 492.602 0.932 30 20 JCED O=C(C#CC1CC1)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1815120674 DFIINQWKSWRXLM-CGTJXYLNSA-N 484.582 0.995 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)C(C)(C)O 1825675683 XJZOHLQCUKIOEB-BDJLRTHQSA-N 480.543 0.807 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)CC1 1828950256 FDFOGDXTVZLPOY-JLHSHEGMSA-N 477.558 0.959 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)C2)C1 1829667776 BQGIOEQHAYUICR-OAQYLSRUSA-N 455.577 0.081 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1829771092 DOMKWXDYRRDGEB-POUSAUBHSA-N 486.525 0.279 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(F)ccc3OC)C2)C1 1829773324 HBQWWPWAJRTCCI-POUSAUBHSA-N 475.517 0.692 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)CCO2 1829845602 DJOQXILFXPJKNV-QQMNAOGKSA-N 499.630 0.930 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H]3CCC(=O)NC3)CCO4)c2c1 1829961537 UJIIZGIXYNYXHJ-HJPURHCSSA-N 466.498 0.031 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1830216548 FTKWTWHPHPFMST-REWPJTCUSA-N 454.483 0.699 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468002 BWWVAYPATFWKRO-HXOBKFHXSA-N 476.961 0.856 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCNC(=O)OC(C)(C)C)C2)C1 1831402781 RGPVFJGJEWUNOW-WZONZLPQSA-N 467.563 0.786 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831449723 PIYIWNCYKMCJEU-WZONZLPQSA-N 477.583 0.628 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)c(C#N)c1 1831608335 CVYQXUDTHXNIAM-MWTRTKDXSA-N 458.515 0.077 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832534999 PGDIWCDIXYRJFW-OYHNWAKOSA-N 461.540 0.447 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c(O)n1 1833700485 ZIKNXHMAYIKWCG-HJPURHCSSA-N 458.515 0.112 30 20 JCED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1)C(=O)O 1834742331 MFFPADZPPHUHNJ-OAQYLSRUSA-N 473.549 0.874 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835357329 SRTSZPVEBCWHBP-IERDGZPVSA-N 454.524 0.286 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc4nncn4c3)CC2)CC1 1835582698 VEUXVWDZDCVPQU-WAYWQWQTSA-N 465.558 0.773 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1835672597 FJCYJUTYSXTRDM-NRFANRHFSA-N 465.938 0.792 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1835674269 IAUPIDUAVRDZFA-FQEVSTJZSA-N 452.943 0.275 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677146 JDLJKNYJXNKEJY-HXUWFJFHSA-N 497.394 0.534 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1835677278 FEOOQPWDNRVAFZ-DEOSSOPVSA-N 481.557 0.824 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837077434 WEZCFHLYTCPGFR-QHCPKHFHSA-N 454.531 0.686 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837202671 VBZFJUWBXNPQNR-SIKLNZKXSA-N 479.917 0.212 30 20 JCED CC(C)c1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)no1 1837440851 BBEDEVXNVOHCMU-XMHVBLFMSA-N 462.551 0.664 30 20 JCED NC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)c1ccccc1 1837527658 RXVLUZFRAATARU-BARJFKFASA-N 474.558 0.714 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1837529940 HCHIKZGXBRCELO-HLJFKENESA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837531748 VYZMVJUZSYFZQT-ODRRNAMXSA-N 491.545 0.524 30 20 JCED O=C(/C=C/c1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837533343 QLCOROVNOMIXJO-ABHSDVPYSA-N 459.503 0.475 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)Cc1ccccc1NC3=O)CCO2 1838442795 ULZOCYCEBFVJAR-DEOSSOPVSA-N 478.509 0.871 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1838501626 NKZOKOGSACBKKS-VWLOTQADSA-N 473.489 0.211 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCO2)C1 1838525755 HAIRWYKGWBQWMG-RNODOKPDSA-N 451.501 0.918 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2ccc4ncnn4c2)CCO3)cc1 1839047241 GKSWAZITYWOHKC-RUZDIDTESA-N 474.521 0.843 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]1O3)CCO2 1839085242 CPPHZXBGBZVVNX-CLJNILSWSA-N 499.630 0.786 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839621211 IPYKNVFFCZHMRW-SIKLNZKXSA-N 465.620 0.743 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839652417 DEZUVEYTRROBHH-QFIPXVFZSA-N 459.572 0.041 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)c(C#N)c1 1839722394 PUZOTMHDPSNMFL-QHCPKHFHSA-N 453.499 0.532 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)CN4)C2)C1 1840041645 ZKEXSKYLQJTYPX-QFQXNSOFSA-N 497.548 0.780 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCCOC4=O)cc3)C2)C1 1840043668 NHZLVHKZZWVDOY-HSZRJFAPSA-N 471.466 0.191 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)n1cnnn1 1840478247 LEYFTMUPXPCINT-JLTOFOAXSA-N 459.894 0.529 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2 1841055356 XRGBSJVSFYBRHG-IBSYWUHOSA-N 492.573 0.895 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842882119 RCQRMAZBVWFEQG-GOSISDBHSA-N 483.573 0.681 30 20 JCED COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1845245986 UMBDQJUOZLGBIY-LFVJCYFKSA-N 465.547 0.988 30 20 JCED CN(CC(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C(=O)C(=O)O 1845810983 ZLRZKYUXHPJVFB-CQSZACIVSA-N 486.591 0.335 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C 1847806775 SWUPZXUVJZXQSL-DEPCRRQNSA-N 476.574 0.598 30 20 JCED CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](/N=C/C(O)=C/[C@@H](O)[C@@H](O)CO)C1 2048529145 KNTYLUZSSSHOSU-CNEHNDRSSA-N 456.536 0.554 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(OC(F)F)cc2)c1=O 502043192 AHDZAXNAYLQXJX-UHFFFAOYSA-N 487.488 0.596 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 523477944 RDHFIBRXBXTPIF-UHFFFAOYSA-N 473.551 0.959 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1 524282188 VBEIAARJRQBILL-UHFFFAOYSA-N 474.608 0.329 30 20 JCED CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 603438946 XNILEMVDPNPKMX-UHFFFAOYSA-N 498.608 0.504 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccccc1 603552969 JLRRSHYEJUEDJA-UHFFFAOYSA-N 451.552 0.737 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(=O)N(C)C 604270189 SBWWAMSMCRZMOI-UHFFFAOYSA-N 464.494 0.627 30 20 JCED CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(C(N)=O)cc3)c2=O)c1C 728557151 FCYZFNGVVCEADF-UHFFFAOYSA-N 493.589 0.702 30 20 JCED COc1ccc(CC(=O)NS(=O)(=O)Cc2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 750415609 BSSGFUSVHYESSH-UHFFFAOYSA-N 493.563 0.776 30 20 JCED C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1sc2c(c1C#N)CCC2 824399010 RETGMQQKOSLREB-JTQLQIEISA-N 456.484 0.426 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 913242988 NVBRPRLTZZXWHB-OAHLLOKOSA-N 473.507 0.898 30 20 JCED CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918261139 OYVMOIUBRXVMLY-BOLJVCIBSA-N 478.619 0.580 30 20 JCED CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1299003668 WWIYUILUDPYWBF-WMZOPIPTSA-N 489.602 0.829 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1508425125 PPFODENPRMCZOO-UONOGXRCSA-N 467.518 0.701 30 20 JCED CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1509787571 CGMGPNAGLXIQGU-MRXNPFEDSA-N 475.575 0.723 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NCC)CC1 1539803696 LQXOGTPNFRUHEN-AWEZNQCLSA-N 461.976 0.215 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1541928174 XEURSYRRKOGCOJ-ZKNHNOBHSA-N 497.576 0.676 30 20 JCED CC1(C)COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1611800244 SZAMJZXTOXPADX-IBGZPJMESA-N 495.650 0.852 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1722485207 MPTKLVRRJGGXIA-AWEZNQCLSA-N 464.386 0.728 30 20 JCED CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)c2ccccc2c1=O 1746472683 IUHBZPFLPIJJGQ-ZDUSSCGKSA-N 472.456 0.785 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778758091 VQKZYXSZFYSHIZ-LRXVAGHRSA-N 486.635 0.973 30 20 JCED O=C1COc2ccc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)cc2N1 1779103311 SDSMSMSAXMCAGQ-VMTPXRMSSA-N 472.498 0.990 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)C1=O 1779103355 UGCLMSAXSMTXLI-KWXIKYAXSA-N 470.482 0.794 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1779422337 DBAXMZUJWXSWAQ-SLJIWNPNSA-N 463.491 0.544 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4CCC(=O)N4)CCO3)C2)CC1 1781169921 DTNARJRJVYZKDW-BXKMTCNYSA-N 489.573 0.636 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)CCO2 1781268378 OIZSGBGVFVEJEE-HXOBKFHXSA-N 483.562 0.865 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1781292189 UIQSMAAXJVBTFK-PXAQALGRSA-N 493.561 0.274 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)ccc1F 1781299572 GDPMAOVRQJQCDU-HSZRJFAPSA-N 483.456 0.840 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(C#N)cc4)[C@H]3C2)c(=O)nc1O 1783606151 DPFCGDACBPBWSA-UFYCRDLUSA-N 465.510 0.351 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783644478 ZNRZZPLPEGLLNQ-NPGKMWDHSA-N 491.541 0.176 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCO2)C1 1783732483 ZNCJYXBZSPEENS-KOSHJBKYSA-N 488.541 0.135 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1783768430 MMEGSPLNOYCJDK-IVZQSRNASA-N 461.519 0.683 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1784373634 RUENPPASLIWSOZ-NFBKMPQASA-N 468.489 0.611 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4cc(C)c(O)nc4=O)C3)C2)c1 1785354374 PJQYMQHNSVYFPO-QHCPKHFHSA-N 467.482 0.281 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1785517417 IHLNFILXEMUFPO-MWTRTKDXSA-N 478.546 0.967 30 20 JCED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C[C@@H]21 1786705121 DXKSDZMKDNJNIP-JBACZVJFSA-N 490.582 0.605 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1788627449 COOZTTBGNZQSMO-RGHIGKISSA-N 460.535 0.786 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1nn[nH]c1C(F)(F)F 1789359405 KYFONTVAUHTALK-ARSBYGGXSA-N 474.440 0.946 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CNC(=O)c5cccnc5)C[C@@H]43)c2c1 1790328810 WBRNTHHYOBFHSG-CUWPLCDZSA-N 487.520 0.853 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 1790792268 FTRZDEOJWXDKGR-ZOBUZTSGSA-N 458.519 0.255 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C[C@@H]21 1791077593 LWQPYGLHYARROT-WJNVRWDZSA-N 454.405 0.211 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1(c2ccc(NC(=O)CN(CCO)CCO)cc2)CCC1 1791329242 QPSNIUPXUKARAM-OLCUMFGGSA-N 462.547 0.936 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NC(C)=O)C[C@@H]21 1792255829 ZLSLMQHMPCOFRY-OKYOBFRVSA-N 478.590 0.797 30 20 JCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792780192 FXXWENHFYXARPR-GYFISPQKSA-N 465.497 0.967 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccc(Cl)cc2)CC1 1792836639 QYVUNGFNGBNFBV-HATOLVCRSA-N 494.013 0.953 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1793355879 SLFVRSACANTFDT-DCXXXQMHSA-N 484.557 0.360 30 20 JCED C[C@@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1795517447 XZDOVWUCKXDVDA-ARKGTOAJSA-N 458.625 0.773 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)c21 1798431185 AOULROIHULYQCA-YVNXZYICSA-N 454.531 0.954 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798857967 GUDVJOFYXGKZRY-BLCPMEANSA-N 476.533 0.941 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236571 RWEBLCIZNHUAHI-KANFNMMFSA-N 491.589 0.641 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)N1CCOCC1)C2 1800023021 MJWUMQJFGLYBBQ-RUIUOMPFSA-N 492.617 0.972 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1nc2ccc(F)cn2n1 1800133707 YJUGVYFJVHHONA-OFQDYVNPSA-N 460.466 0.601 30 20 JCED O=C(COc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1800205458 XFFWNRPLNRORFU-NTVABLPFSA-N 458.496 0.651 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800293274 QDORWHTZKLOFFY-RRZZWSPOSA-N 456.543 0.755 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1800996828 XAMDCVIRJRUVCR-VOFASGIRSA-N 457.593 0.814 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC1 1801640516 OUEZXVUGHGPGDH-XMTFNYHQSA-N 480.562 0.792 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C2 1802125490 WXGUPFJMFFJOFI-XMTFNYHQSA-N 464.563 0.407 30 20 JCED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1803556284 HDONSZUNPQQBGO-OFNKIYASSA-N 478.615 0.801 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1808450123 LGBYCXSFSMOHDY-DWLFOUALSA-N 460.531 0.247 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)CN4C(=O)CNC4=O)[C@@H]3c3cccnc3)c2c1 1812069136 QINSHFFSVOOBSD-OPAMFIHVSA-N 486.492 0.701 30 20 JCED C#CC(=O)N1CC[C@@H](CNC(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)[C@@H]1c1cccnc1 1812448674 JAHBSGSYIJKBFC-JXFKEZNVSA-N 490.524 0.861 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1)C(C)(C)S 1812983622 BXTPYPBIILEBIH-HRCADAONSA-N 482.603 1.000 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2)C(=O)C(=O)O 1824673094 COAWHIMVNTXFLW-QDBSGRMGSA-N 450.521 0.070 30 20 JCED CS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)cc1F 1827874874 CPINCSGFQWZSNH-NSHDSACASA-N 465.484 1.000 30 20 JCED CN[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1)C(=O)O 1828806014 IEACHKOPZQKFKV-WZONZLPQSA-N 471.514 0.415 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)Cn4cnnn4)CCN3C(=O)OCc3ccccc3)C2)CC1 1829014029 LKTGCDSUENORFS-QHCPKHFHSA-N 478.513 0.429 30 20 JCED CC(=O)NCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829311114 KUBGMWCRQMPFMP-DEOSSOPVSA-N 484.509 0.053 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829356555 XTEAZQOGLUWZLD-DNQXCXABSA-N 486.525 0.968 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)CCN2C(=O)OCc1ccccc1 1829472277 WAEQDTSATUCGKV-JOCHJYFZSA-N 456.503 0.411 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)[C@@H](O)C1 1829690525 BSNXIQXBTJDZAQ-LLJLJFOGSA-N 494.589 0.610 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1829759657 KVFQLWTXHMPKFJ-SOONCWKUSA-N 466.538 0.806 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1 1830051060 VIZPOOCXNGRUOW-FDDCHVKYSA-N 492.598 0.668 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)c1 1830458516 GDIXYHLTRKRAFZ-RUZDIDTESA-N 480.521 0.970 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1830575047 QLEMWIVTBQMZCK-NTKDMRAZSA-N 488.541 0.514 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1831388172 UYXMOUDUOINJJB-OPAMFIHVSA-N 462.503 0.271 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1831396088 HTGMZEIRYDGAKM-BTYIYWSLSA-N 453.442 0.352 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1831397682 VWQXXRXRFLQBSU-JKHABCDFSA-N 475.517 0.498 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1831406473 QSQDZIYZBDAPBA-QHCPKHFHSA-N 452.596 0.063 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1831412601 UVKHNNBZOYCCGP-QFIPXVFZSA-N 450.488 0.856 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(N3CCCNC(=O)C3)n2)CC1 1831666028 BOTZMPXJHDGKEP-HXUWFJFHSA-N 481.553 0.729 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833020775 FJFWMDIDZWBNJO-IIBYNOLFSA-N 452.577 0.809 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833024597 UGYDYKWWQICXPL-QRQCRPRQSA-N 478.571 0.368 30 20 JCED CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1)C(=O)O 1833106555 JBBKOVGMBIQNLJ-OAQYLSRUSA-N 455.559 0.735 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833599047 AHEUOTACJFYBDW-IIBYNOLFSA-N 451.545 0.767 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1834899624 TVIGWQFEOQDBKH-OALUTQOASA-N 463.579 0.842 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCCN4C(=O)c5ccccc5C4=O)C3)C2)CC1 1835340793 GPLBPKKABRKVFQ-RUZDIDTESA-N 480.521 0.823 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1Cl 1835410624 KBJDGHAZVWZMRF-QFIPXVFZSA-N 460.918 0.904 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835640831 WBXIJKSCHWFCMV-VGOFRKELSA-N 486.635 0.604 30 20 JCED NC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccccc1 1835816369 JCTBIHWPVSMUCQ-GJZUVCINSA-N 469.582 0.884 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2)c1ccc(O)cc1 1836139343 KWCXJDJDKUHEEP-GBXCKJPGSA-N 467.526 0.637 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nnc(Br)n3c1)CCO2 1836256725 VPQCFDGYAKNBKX-LJQANCHMSA-N 477.319 0.866 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837139263 WQPGCXIAVFKZNO-IQMFZBJNSA-N 472.498 0.692 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837291574 KQTFJZRGFUDHMJ-NLSFWIRASA-N 457.483 0.216 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)c1ccc(O)cc1 1837367462 ZMJHLBVKNCCCID-MHECFPHRSA-N 468.510 0.222 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nc1 1837441025 NFZYGMMGKLXWAK-XTVKVDEJSA-N 458.563 0.689 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837490811 BYNZQEOYOJOWLJ-XMMPIXPASA-N 467.526 0.498 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1837527617 QVLUBEBZBHEZCV-RUZVDQEXSA-N 464.494 0.749 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837563312 WDGRCGNKCODBJM-HPARJBSBSA-N 452.471 0.511 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837918652 MJDUPVOBAIUSPU-OAHLLOKOSA-N 473.534 0.831 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838741936 JITILISABHCAKX-IXFSTUDKSA-N 456.499 0.712 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838904743 VINCITYOFHPUBH-YADARESESA-N 488.541 0.514 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(Br)nc3)CCO2)C1 1839027807 VWHIJWCZWSMEMA-IIBYNOLFSA-N 480.359 0.881 30 20 JCED CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)C1 1839067560 PJHKFYXYUQVGJH-KOSHJBKYSA-N 466.542 0.846 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCCN(C)C3)CCO2)C1 1839069247 SQTFDARZMXPOJW-RLSLOFABSA-N 492.617 0.701 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839133124 ZSSXCIPIMRJUKX-NHRFMIRVSA-N 477.583 0.724 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839163993 UDVDJSQGTDTHKC-STSQHVNTSA-N 482.578 0.437 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)N1C[C@H]2C[C@H]2C1 1839488521 WXQKJGTXAZKRJL-VDQVMUTISA-N 478.553 0.845 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3n1CCN(C(=O)OC(C)(C)C)[C@H]3C)CCO2 1839594717 ZATUDDXJRYRFAB-BXKMTCNYSA-N 487.557 0.898 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)N(C(=O)OC(C)(C)C)C1 1839874648 FWYXRWHQOKIDHK-NXMSCROESA-N 492.573 0.145 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840010206 QNRJTGWKTHDOLY-FVMGUFKOSA-N 469.604 0.874 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1840108396 WVNKVJIQBAFZMA-YZZKKUAISA-N 492.577 0.765 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1)c1ccc(O)cc1 1840220867 HEZNOLZBVSNAAN-WMZHIEFXSA-N 468.514 0.032 30 20 JCED Cc1cn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc([C@@H](C)C#N)c2)CCO3)c(=O)nc1O 1840716510 KRZUYYNGMHWISK-SSOJOUAXSA-N 495.536 0.655 30 20 JCED CC(=O)Nc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840723641 PORKLHPKHNJMHH-XMMPIXPASA-N 471.558 0.997 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840861389 XCSYXSMAHWOMLQ-ZEQRLZLVSA-N 493.557 0.568 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cccnc2C(N)=O)C1 1842157964 CNSLQUZOXIEFNY-INIZCTEOSA-N 455.515 0.914 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196909 BTDPJIRGHCNFEV-HNNXBMFYSA-N 478.502 0.083 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2[C@@H]3C[C@H](O)[C@H](C3)N2C(=O)OC(C)(C)C)C1 1846202986 VWPNQRZYOJJOOC-VMXHOPILSA-N 461.559 0.987 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN(C)C)C2 1846365779 VNVUIXFCRRVILI-INIZCTEOSA-N 467.567 0.557 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C1 1847100567 OIDXEYYDSBCXKM-DLBZAZTESA-N 479.578 0.570 30 20 JCED CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1[N+](=O)[O-] 9550678 KNKSYJLLJWAQLR-QGZVFWFLSA-N 456.502 0.947 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCCC(=O)OC 501778354 WECWQPRMYPHTEF-UHFFFAOYSA-N 457.552 0.746 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc3c(c2)OCCO3)c1=O 522284719 TXSNCTUNXHQCJX-UHFFFAOYSA-N 457.552 0.993 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cccc4c3OCO4)c2=O)cn1 523182291 DTZWTHVGDLPXMS-UHFFFAOYSA-N 467.507 0.110 30 20 JCED N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1Cl 603716856 BKSBMODETAXCEY-UHFFFAOYSA-N 476.946 0.813 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 603792377 BJVWBJMBESLYJT-UHFFFAOYSA-N 459.524 0.387 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2csc(Br)c2)c1=O 604270123 GTIPFMWSGWDAJV-UHFFFAOYSA-N 481.397 0.604 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608829004 VPVLNMBYODJFBR-UHFFFAOYSA-N 488.616 0.696 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c(Cl)c1OC 609323436 MMSNRNKAXGPMIG-UHFFFAOYSA-N 490.969 0.450 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1=O 726042591 KXHUYHXHEIRFAA-VIFPVBQESA-N 470.360 0.067 30 20 JCED Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCS(C)(=O)=O)c1 729671435 MOCDLOMSHCHGCT-UHFFFAOYSA-N 470.576 0.691 30 20 JCED COC[C@@H](C)NC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 729970317 ADAYGVIKWFENDG-CQSZACIVSA-N 466.516 0.363 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C)c(C)c3)CC2)o1 914684689 PQPKTPGJOHUQCV-UHFFFAOYSA-N 475.527 0.642 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 919014025 MTNVFKZDYJWDFO-RUZDIDTESA-N 480.521 0.776 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286536763 SJGXCMICFKWDLR-MNOVXSKESA-N 456.388 0.420 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1287606139 VLRCRSNMQJPCMR-QGZVFWFLSA-N 452.581 0.805 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301017961 QPBDDJFORGHLGB-ZDUSSCGKSA-N 469.033 0.891 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCCS1(=O)=O 1303402875 QVILWAAUZMHWHI-GOSISDBHSA-N 486.602 0.977 30 20 JCED COC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1)OC 1555257656 XFZDNRUKFZOAJV-RTBURBONSA-N 478.575 0.780 30 20 JCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)C2=O)cc1 1634913427 IOUGEIKYXVIFDZ-OAQYLSRUSA-N 452.559 0.999 30 20 JCED COC[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697734535 STSHRIKHJKVMGU-CVEARBPZSA-N 462.580 0.764 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@]2(CCOC2)O1 1726725584 MUNXMCBSXKLTHS-KKSFZXQISA-N 476.559 0.662 30 20 JCED COc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)ccc1C 1729985913 KMILMOTUPOTOQK-PKOBYXMFSA-N 476.559 0.705 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)C1 1741984464 RJIFGZFDRZKDPA-MAUKXSAKSA-N 456.594 0.346 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1 1760308175 ZFKBLPQQCPHKLF-AWEZNQCLSA-N 474.385 0.890 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)n4[nH]nnc4n3)C2)c1 1777823653 SSNAPMXIFBJKDN-VGOFRKELSA-N 480.460 0.265 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC(F)F)c(O[C@H]4CCOC4)c3)C2)C1 1780087182 JUDGLSQXZQBCFR-QMHKHESXSA-N 494.447 0.987 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780933970 LBTDRBYCLMOXNA-KSFYIVLOSA-N 462.572 0.295 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)CC2)CC1 1781108478 GFTQSLFDVQKPQH-VGWIDUNESA-N 463.579 0.125 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)[C@@H](O)C1 1781111992 QZXYGMYGUYOZKZ-PONJGIIJSA-N 450.536 0.594 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c(C#N)c1 1782667279 ZHHYAKSCVHEMFD-HSZRJFAPSA-N 451.483 0.196 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782959998 CSZWROUMSTVPTJ-GSHUGGBRSA-N 483.587 0.310 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(N)=O)C3)C2)CC1 1783150353 GPNOOYZIEVKNPF-QHCPKHFHSA-N 477.562 0.623 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](S)C(C)C)[C@H]2C1 1784541296 HSVOAXGOERBDBJ-VNYTWHDVSA-N 476.636 0.617 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)cc1C#N 1785194381 SZZXGIPODLKWAC-HSZRJFAPSA-N 469.498 0.341 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785224013 XLAZKNFGKJFGER-XDHUDOTRSA-N 451.479 0.598 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)NCC(C)C)CCO2)C1 1785575196 ZVKZEJJCIHDEAG-SBUREZEXSA-N 464.563 0.505 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789342764 LPCLJEMXFQGVME-QYPKUEOCSA-N 479.537 0.659 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)C#N)C[C@@H]32)C1 1789808047 DUAQBPSHFRDFBR-AVEIZBFRSA-N 464.563 0.744 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21 1789904323 KGCJSYBGDVAPGE-FKSLSLAPSA-N 496.605 0.888 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]3C1)C2 1791264342 HDYBSWLSIWTOMG-LFRCEIEQSA-N 464.588 0.920 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793713739 ZPWKOYDCPCSRFT-YZIUBNRHSA-N 496.568 0.938 30 20 JCED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1795463311 MDKUGWBPKXHMHD-QDMKHBRRSA-N 454.512 0.830 30 20 JCED COc1ccc(COc2ccncc2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1 1798511788 ACXBMEXXRVOCBW-MRSFGVLCSA-N 479.489 0.960 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1799390556 ZHGRYTPKNQHBLG-ZURLZEQWSA-N 461.519 0.383 30 20 JCED COc1cc(F)c(Br)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1799744523 DERLEMLYLQCWLI-XGISUXEOSA-N 469.263 0.888 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2)C(C)(C)S 1800907674 GOVRIKFGUKHUOE-NOXHYTERSA-N 483.591 0.054 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)(n2ccnc2)C1 1801990375 VJVGJRUYLKAGLE-NDBKNAECSA-N 485.541 0.945 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1O)C2 1802125861 YUMUFNUVYDFMHO-HIRMHNASSA-N 458.515 0.907 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c(C#N)c1 1804190218 JRDSEGKZNPYAEU-UUOWRZLLSA-N 490.520 0.762 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1810445986 FPMARRDWQYMPBV-FBBABVLZSA-N 492.584 0.978 30 20 JCED O=C(CNCP(=O)(O)O)Nc1nc2c(s1)C[C@H](NC(=O)C/N=C/c1ccco1)CC2 1814768369 XMIXAZAEPKUVMB-MBCCIFHSSA-N 455.433 0.492 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](COC(C)=O)OC(C)=O)n[nH]1 1819428905 QSLQZZWTMQLJFO-ICUWKNINSA-N 475.502 0.755 30 20 JCED NC(=O)c1nccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819778159 MGTMNLLQWVYOKJ-IVWKQIGUSA-N 456.532 0.730 30 20 JCED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC3)cc1 1823486694 ILITYKDCZIKFHW-AWEZNQCLSA-N 452.496 0.987 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1828804338 MTHNEPLYXNLLEH-VWLOTQADSA-N 493.520 0.667 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829133236 IZINKRUFNMKQDQ-XUZZJYLKSA-N 485.541 0.003 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccnc4c3)C2)C1 1829766327 RMUMLURFIOGYEA-VRWDYKOXSA-N 465.510 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN(CC)CC)C2)C1 1829771237 NBDZKAPAWXCBOE-UEAAHPPJSA-N 450.580 0.279 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1830886911 MFYKNUIYVYQISJ-HTAPYJJXSA-N 464.519 0.325 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ccc(F)cn34)C2)C1 1831399198 QVXKAKYKHBGLOV-SBUREZEXSA-N 458.490 0.890 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1831401714 FTQBWWBWYDPATP-LRAJWGHMSA-N 484.475 0.638 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831432602 BZNLFTWWHAGZMP-UJXVZYGKSA-N 469.538 0.944 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1831998547 OHTCMXFCJVVYMD-AOMKIAJQSA-N 499.634 0.929 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccc(N(C)C)c3)CCO2)C1 1832526445 JFKYKUYLUHTHOG-NTKDMRAZSA-N 459.543 0.626 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)CC2)CC1 1833468034 JRGGGJIKDQVTKM-IBGZPJMESA-N 481.597 0.950 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834357661 UQBTUIIVRIZQPP-WWCXEQRYSA-N 450.467 0.820 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CC[C@H](N)C(N)=O)CC3)CC2)c(C#N)c1 1834735878 ZVYYKGVIISPCFN-QFIPXVFZSA-N 484.601 0.274 30 20 JCED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1834856561 QSCSCIIIGJVIHI-HSZRJFAPSA-N 459.499 0.519 30 20 JCED CCOc1c(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cnc2c1cnn2C 1834963028 SPGKRAFMNSTXRI-UHFFFAOYSA-N 482.541 0.640 30 20 JCED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1835244300 VOWRQURJAFFVME-FQEVSTJZSA-N 486.447 0.705 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)CC2)CC1 1835670157 WDDDDAHUPXPZAJ-ODNCXDDGSA-N 457.619 0.757 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CC2)CC1 1836106922 VFMMLWSLMJPQSA-UHFFFAOYSA-N 470.482 0.803 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1836124682 XDLDBQLNYAOIPG-QHCPKHFHSA-N 485.585 0.903 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nc(Br)nn3c1)CCO2 1836256162 CRSXWSOXWVTOGW-OAQYLSRUSA-N 488.342 0.975 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2)NC(=O)OC(C)(C)C 1836354875 UUWUBFUOAQBERM-AOMKIAJQSA-N 478.550 0.734 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(Cl)cccn13)CCO2 1836370168 IAHYVOSWQDLJQR-UZQCKINESA-N 487.944 0.916 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1836374963 OFPYGKFVYKEMPZ-FQEVSTJZSA-N 477.650 0.703 30 20 JCED CC(C)(C)OC(=O)N1CCc2onc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)c2C1 1836773062 PXQASPILUGTYDW-HSZRJFAPSA-N 489.529 0.951 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C2)C1 1837392049 YSIUZSCVHDZYBK-SKPFHBQLSA-N 462.543 0.758 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1837441166 VEPIVFHGYCKHKX-SJUCLPJRSA-N 481.557 0.809 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1837524640 KVSHMMORVIEJKY-KDDBKWRJSA-N 489.525 0.812 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837529812 ZDVHFHLFIGIKOK-ZGOGOCENSA-N 472.502 0.557 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c1 1837797123 ROMKKYBUFAOGIA-NRFANRHFSA-N 470.442 0.582 30 20 JCED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)CNCP(=O)(O)O)CC3)CC2)c1 1837835836 SEUUMKOKTDLGME-UHFFFAOYSA-N 464.459 0.895 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c1Cl 1838600193 USIVTNBFZPCFOZ-NRFANRHFSA-N 458.906 0.963 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)n1 1838906892 LLRNIUBOGTXZMS-QHCPKHFHSA-N 453.499 0.785 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)CCO2)C1 1839083337 QLWRYRVNGFQPGH-JXQFQVJHSA-N 475.590 0.126 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1ccnn1 1839188272 VLANUTDWMDZCMB-KSFYIVLOSA-N 456.478 0.549 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1839276551 NTIOWCQQMCGABA-LXHZQTKUSA-N 476.461 0.662 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCCCNC(C)=O)NC(=O)OC(C)(C)C)C2)C1 1839810684 MARNYUROOXGCRC-CYFREDJKSA-N 494.589 0.276 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1)C(F)(F)F 1839893855 TWPMLCUOLZYTJC-LJQANCHMSA-N 467.404 0.278 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840055389 RTIOQNIUNTXCQN-HOYKHHGWSA-N 493.557 0.313 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840166562 PVVQGQJGNCRLKZ-MBSDFSHPSA-N 467.563 0.522 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOCCOC)C2)C1 1840170155 NBOZNUKKYLMVRM-DEOSSOPVSA-N 484.590 0.333 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4cnnn4)C3)C2)c1 1840716112 DVWDJRCJCRUSTC-HYFFOGBASA-N 453.503 0.631 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1840819276 ATGGYOOXSCJKCS-XMMPIXPASA-N 481.509 0.686 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C2)C1 1840839980 PWUSNDNJVDFYSG-VWLOTQADSA-N 454.571 0.922 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccc3)CCO2)C1 1840901879 WVCTWSOHVFPPSE-KHOMTPLRSA-N 473.570 0.834 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1840908837 IKLDAUKSSOZBFB-LLJLJFOGSA-N 492.573 0.050 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@H](COC)NC(C)=O)C2)N(C(=O)OC(C)(C)C)C1 1844387612 RKEADFPXEMJNQN-ROUUACIJSA-N 464.563 0.907 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1845131916 GXLHJLHHLYEGDI-DLBZAZTESA-N 463.579 0.479 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 481105515 LRYQYOGHWXWBSF-UHFFFAOYSA-N 486.506 0.810 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1 501175292 PVFDZCOPYVDQJO-UHFFFAOYSA-N 498.605 0.221 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2C)c1=O 501762696 OSBBXBZNNJTEON-UHFFFAOYSA-N 455.536 0.533 30 20 JCED N#Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)ccc1OCC(F)(F)F 511293789 OKNMYZAPNCXJGO-UHFFFAOYSA-N 453.421 0.861 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)cc(C)c2)c1=O 523080182 RBLGVAMTFFPRJV-UHFFFAOYSA-N 484.622 0.515 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCc1ccccn1 523180964 PDUBQSVPAUAMHD-UHFFFAOYSA-N 479.518 0.721 30 20 JCED CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)CC1 524289251 ITIFGJQWJIOXTM-UHFFFAOYSA-N 452.515 0.247 30 20 JCED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(C(=O)OC)cc(C#N)c3=O)CC2)cc1 602253026 MNMKYTRXPQQZFV-UHFFFAOYSA-N 488.522 0.438 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OCCCC#N)c2)c1=O 608855719 XQUJBWUAPOAAJI-UHFFFAOYSA-N 496.589 0.991 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)cc2Cl)c1=O 619539334 KYXKPGAMIXKWMT-UHFFFAOYSA-N 476.986 0.543 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 725762956 ARMODKAJJSODJZ-OAHLLOKOSA-N 461.588 0.552 30 20 JCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 726995754 BYOKXMGGCLVWKY-WMLDXEAASA-N 471.495 0.261 30 20 JCED NC(=O)C1CCN(c2ncccc2CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 729377030 VWFTXFBXVCCSRT-UHFFFAOYSA-N 456.528 0.138 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 913731398 GWYMOQAVUVKLKB-YOEHRIQHSA-N 478.571 0.795 30 20 JCED NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 916826997 SJNSDJFOMXUYNY-OAQYLSRUSA-N 469.567 0.876 30 20 JCED N#Cc1cnn(-c2ccc(C(=O)OCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)cc2)c1N 919548911 DICJCFDGOUWROC-RTBURBONSA-N 487.538 0.678 30 20 JCED N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1292655487 QPMAAHNMEHEWBB-LSDHHAIUSA-N 458.334 0.314 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1297778220 IMJUPDKCBLRJEO-MRXNPFEDSA-N 452.562 0.379 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NCc1ccccc1 1359474397 QXVFWUVDCPEGSB-PKOBYXMFSA-N 489.602 0.913 30 20 JCED CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1515776556 UUIPPMRPZFZXFQ-UHFFFAOYSA-N 466.589 0.723 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1516829599 ZIFUDZLCYJZWBI-RHSMWYFYSA-N 462.573 0.294 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1517630686 XUANPUOPGCUWHY-UONOGXRCSA-N 454.578 0.624 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CCO1 1554441861 JZZVAJPTXPWHID-LJQANCHMSA-N 453.547 0.879 30 20 JCED CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)cc1OC 1616368665 YXMWAKHRPFRCPF-OAHLLOKOSA-N 450.521 0.630 30 20 JCED COCc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1697817389 WDQCONLZAPZWLH-OALUTQOASA-N 476.559 0.534 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCN(CCN(C)C)CC1 1723935383 OZSNUNBKPVGQHR-OXQOHEQNSA-N 470.619 0.604 30 20 JCED CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1 1727106245 SMAGGLYTNGNEGL-QGZVFWFLSA-N 488.618 0.403 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1766731457 RPPWCYYNFTZANM-OAHLLOKOSA-N 461.548 0.335 30 20 JCED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1768529382 UFCNEXADKKCELQ-GOSISDBHSA-N 487.586 0.821 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1769361168 UMULLXMZJBPMJT-HXUWFJFHSA-N 461.523 0.912 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)CCO1 1771537435 OCSKAFWLOKCOTN-VXGBXAGGSA-N 451.413 0.879 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)cnc2c1 1777998071 BUZKRYWGJKXUPW-NQXOLCDVSA-N 483.525 0.975 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C3)CC1 1778911366 JTNAAEVFDFZCMF-KKLQWCBXSA-N 465.595 0.465 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066272 NWHZZEBZISNIHR-SANMLTNESA-N 484.549 0.978 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1)c1ccccc1 1779184425 INZPAKOZKUOJEE-YADARESESA-N 452.511 0.565 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1780438225 GOSYUSDDGCGOMH-WAIKUNEKSA-N 475.546 0.789 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780922485 JKPWGLHIBZNYMN-JOCHJYFZSA-N 458.540 0.085 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781097386 LMAZGKVLXGSFIF-DFIYOIEZSA-N 493.649 0.922 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781201954 PBMJYVJMTATADP-UZUQRXQVSA-N 469.579 0.931 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1781311480 XHWBWPLVSMJBTC-UGCAPWQASA-N 486.569 0.410 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)[C@H]4CNC(=O)C4)C3)c2c1 1781779539 DBBSUOBHDYPBEW-OMXJDXKCSA-N 450.499 0.698 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010590 ZUFBAYOPYIEYNR-YGKZAACZSA-N 479.530 0.224 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1783475566 VJUCMNYPUQARAA-GACJPCPCSA-N 491.585 0.737 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(I)c(O)c1)CCO2 1783568373 WCYFXSRBIAUZFP-GOSISDBHSA-N 484.246 0.528 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(C#N)cc4)[C@H]3C2)CC1 1783602565 DQSUOZMIZKFSFJ-VABKMULXSA-N 467.570 0.245 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1783862974 VJTAQLNVMRGTFA-PXKTXHHESA-N 470.592 0.542 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089379 DGZPKEFRGKAOHJ-HJPURHCSSA-N 489.577 0.715 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc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c3cc(C#N)ccc3F)C[C@@H]21 1788639631 PAYFDZWVIUVALQ-GIUOSPMZSA-N 475.473 0.785 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1788640280 YKKNAVVSRRTLHY-UDDWMFPDSA-N 489.500 0.714 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1789892327 QNBHELRSAWSLQD-FYQPLNBISA-N 450.580 0.111 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccccn3)[C@H]2C1 1790585370 YITLHTJUUMLHDA-FURZOXEASA-N 469.542 0.038 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1)c1ccc(O)cc1 1791396544 FWSYPMJJBHRBQN-LGGPRVQUSA-N 479.533 0.794 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1792145090 HJGALCAAGWJAJV-ZWOKBUDYSA-N 452.467 0.630 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1792268156 ZKUBXSYEWANPEO-GMOHSKTFSA-N 493.605 0.028 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccoc1I)C2 1792488691 MMKREOCHNNMFCX-CYLMYCJOSA-N 499.305 0.946 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(Cc1ccccc1)C(=O)OC)C2 1792490418 SPPOAUWMTHOMME-RQWRPHEBSA-N 484.553 0.703 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccccc1 1792938774 FYATYAUXKBRHPZ-DONDWXFRSA-N 466.538 0.307 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccccc1C(=O)OC 1793092195 HSPJGZUWZSOTIN-QYFSQQDBSA-N 469.538 0.854 30 20 JCED CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n1 1794280500 UWZFUUSCAWQXME-XMMUTZDYSA-N 459.503 0.772 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccccc2)c1 1795274783 SRJPKHQDSXMBBC-HATOLVCRSA-N 453.520 0.740 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1796334895 URDSQHSZMMYUAW-VCNBQAEXSA-N 492.573 0.070 30 20 JCED Cn1ncc(I)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1797249219 FCYVCRLRYPHNGK-JGPRNRPPSA-N 456.240 0.365 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O 1797964691 XCOUJGPMRCZBFA-PJVZLEMVSA-N 482.578 0.197 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1C(N)=O 1799041527 XZHMWOXPEYERQK-QKPAOTATSA-N 470.530 0.744 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO 1799339746 VCWUSWBUIRJQAC-SFNKJDCFSA-N 455.552 0.444 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C 1799395921 KCERCAYSTOGQOP-IECFSIQFSA-N 498.577 0.833 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)C2 1800452785 ZVAJPXHQMXDOBH-QIEVIBBNSA-N 460.531 0.755 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2)c1ccc(O)cc1 1801056058 GNYQXMZFDSQXMC-DCXXXQMHSA-N 477.521 0.682 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1803605199 UPDNRYNREVGSJP-IHPCNDPISA-N 468.645 0.772 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1804195553 YMQLFCOVXLSQIG-OKEGVBJISA-N 487.582 0.530 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c(C#N)c1 1812718025 YEWCYGDKXVNLLI-RLWLMLJZSA-N 495.580 0.497 30 20 JCED CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1)C(=O)C(=O)O 1819456513 KHLNSPPQJMWAKR-CENMRFABSA-N 464.479 0.474 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828812063 CMJDZLMZGBUCNH-VMQHTIDMSA-N 497.504 0.646 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)[C@@H](N)CCC(N)=O)C3)C2)CC1 1828921400 UFMLEIQGJCWUBE-DFBJGRDBSA-N 496.568 0.335 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1829635375 FDEWQQKDEUCYGT-OAQYLSRUSA-N 482.459 0.626 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccc3OC)C2)C1 1829762394 IZGZFSDYFQQGKN-WNFFGTKGSA-N 471.554 0.943 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(OC)c3)C2)C1 1829765479 XUSCBZGLVJRXEL-WEHRJKGCSA-N 457.527 0.553 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1830881933 MHWOYIJZCAITLC-YADARESESA-N 479.574 0.882 30 20 JCED COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1831028645 BTFSYCYSMKXHQK-LJQANCHMSA-N 472.420 0.661 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c([N+](=O)[O-])cc1O 1831218385 QNWSMCYJKPDKBB-QFIPXVFZSA-N 459.455 0.792 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1831391896 GUDHQKBNKGPQHF-QMHKHESXSA-N 456.499 0.164 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1831398594 HRHLZVYSROUXCL-MZNJEOGPSA-N 455.511 0.680 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1831427268 REHQXJYHUSNBSG-HOYKHHGWSA-N 470.526 0.827 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831493799 VWVKLLANQAMDMX-TVTNDZMWSA-N 489.635 0.673 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831670355 UCOKOVYTAJMKTK-MSOLQXFVSA-N 464.563 0.936 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1832000307 LXFWAAVXTANSTD-WZONZLPQSA-N 477.562 0.878 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1835354995 NTJCFTQPRJIBGO-QFIPXVFZSA-N 480.562 0.509 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835435349 SMLPOBAQZIORIO-GAJHUEQPSA-N 482.578 0.391 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1835644445 NPSMALUZSYXFNQ-KURUZVKSSA-N 463.535 0.335 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)s1 1835681333 XNIUYLIGSPVKJK-QHCPKHFHSA-N 492.598 0.815 30 20 JCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1836863507 DJRPAFOWRFMMOD-HSZRJFAPSA-N 453.580 0.618 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3ccc(Br)cn13)CCO2 1837184781 YVNUDOYTEGCGOD-FQEVSTJZSA-N 491.298 0.255 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1837311748 NNOJJDQDNKNLOZ-IMSXRSKXSA-N 473.574 0.682 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3nccs3)C2)C1 1837396006 AGEGALYQVJLUEU-VWKPWSFCSA-N 452.577 0.973 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837397411 QHNNSFVOJJJWRG-KKSFZXQISA-N 450.561 0.598 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn(C)c(C)c1Br)CCO2 1838770671 TYYIILLAWRYTLE-LJQANCHMSA-N 453.337 0.974 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(CC#N)cc5)C4)C3)CC2)CC1 1839107475 LTVUWIXTGCMDLN-RUZDIDTESA-N 481.597 0.603 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)c(C#N)c1 1839132282 BISJCWPAWOQXJP-DEOSSOPVSA-N 486.525 0.408 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1839225266 DKGAHVCGJMVDBC-QMHKHESXSA-N 474.514 0.888 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839384610 LUFIMPFSUATKMU-AVRDEDQJSA-N 471.551 0.269 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839959324 HELGPXNYYZHUOS-KZYSSINHSA-N 475.542 0.575 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Br)ccc3O)C2)C1 1840043447 ZGPHRRLROVXQKQ-LJQANCHMSA-N 467.272 0.313 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)[C@@H](C)S)CCO4)C3)CC2=O)c1 1840156972 ZUDCPPQHGNBDSV-SEPYTNNBSA-N 477.583 0.823 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840167555 YGDPMSQLPDDLGW-JXQFQVJHSA-N 479.574 0.617 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840180863 ITQCYNQGXVKJGU-YADHBBJMSA-N 463.462 0.383 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1)c1ccccc1 1840263631 VCLKLADIQGRCSI-LVXARBLLSA-N 479.533 0.565 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CCO2)C1 1840371604 SMUWSOFBEGAMQW-HYBUGGRVSA-N 475.590 0.906 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(N5CCOCC5)n4)C3)C2)CCC1 1840813646 LVVOFSGFOMFJBX-XMMPIXPASA-N 469.542 0.682 30 20 JCED CC1(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CN(C(=O)OC(C)(C)C)C1 1840955600 ZXJADLORWAVTNL-HSZRJFAPSA-N 479.530 0.178 30 20 JCED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)C[C@H]3NC(=O)NC3=O)C2)ccc1Br 1841961128 BPRVIQREWWFEKX-CQSZACIVSA-N 460.288 0.736 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842947066 UVZUPJGZOFRWQL-RBUKOAKNSA-N 471.558 0.654 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)c2nccnc2C(N)=O)C3)CC1 1845137688 YPIKAHNUOGRBLE-UHFFFAOYSA-N 497.556 0.933 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1847259908 FKHCZXXYECGMPU-VKJVHKAUSA-N 496.630 0.709 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 16260101 ZYVDZNVRZZKHHB-UHFFFAOYSA-N 472.548 0.616 30 20 JCED CN(CC(=O)NCCS(=O)(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 410384382 UZJAHDSETWWDMX-UHFFFAOYSA-N 450.542 0.415 30 20 JCED CN(CC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 487263470 VCFHIZLWARQMIF-UHFFFAOYSA-N 461.588 0.772 30 20 JCED N#Cc1ccc(N2CCN(C(=O)Cn3c(=O)oc4cc(S(N)(=O)=O)ccc43)CC2)c(F)c1 504970805 JJGCPWWSUHUBPA-UHFFFAOYSA-N 459.459 0.601 30 20 JCED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 516054094 UNBLVEBIYIBEAK-UHFFFAOYSA-N 469.420 0.633 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3c(F)cccc3F)c2=O)CC1 516827749 ABUBFPGTOMWTMA-UHFFFAOYSA-N 474.533 0.817 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(C(N)=O)cc1 523255897 LRJOOMXVQIIXJY-UHFFFAOYSA-N 477.502 0.935 30 20 JCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCNS(C)(=O)=O)c1=O 608912182 HEAAUPRMJJSRAI-UHFFFAOYSA-N 492.598 0.468 30 20 JCED CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 728142652 GWUYXMANKJORMU-FXBPSFAMSA-N 472.589 0.721 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cn1 729031959 VGXIDXPFOLPGIH-UHFFFAOYSA-N 455.492 0.955 30 20 JCED C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CS2 748606898 RZEWPYAIEKCWHI-KKSFZXQISA-N 492.579 0.388 30 20 JCED COC(=O)c1cc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(C(=O)OC)c1 821701786 LAVJLZBEOMQNBC-UHFFFAOYSA-N 489.462 0.480 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1cccc(C)c1 917355723 AMIDRLHJAORUQT-UHFFFAOYSA-N 451.552 0.823 30 20 JCED Cc1sc(=O)n(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 920412663 BRBYUJSNMBMWDM-UHFFFAOYSA-N 478.552 0.475 30 20 JCED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N=C2NS(=O)(=O)c3ccccc32)cc1 1317923632 BJCJDXRGEOKAKF-UHFFFAOYSA-N 481.552 0.849 30 20 JCED CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1503286818 ZEPVMSNJTUWXDM-AESQFQPQSA-N 471.591 0.659 30 20 JCED CCN1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1515836771 JAIZOPASYMQNNL-IEBWSBKVSA-N 487.634 0.823 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1547765230 NOOGMZFXQUQJAG-UZUQRXQVSA-N 453.547 0.615 30 20 JCED COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1613804670 RULGZXWFXPVNKK-UHFFFAOYSA-N 453.499 0.624 30 20 JCED CNC(=O)c1cc(O[C@H]2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)ccn1 1638166809 YAPYKMIZPFGSEL-HNNXBMFYSA-N 457.512 0.550 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CCO1 1711368532 JFWWCVFNRAIEFO-VPKVUBIPSA-N 456.503 0.220 30 20 JCED CNS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1748291363 VUSWAEGDLAEUAT-IBGZPJMESA-N 486.602 0.873 30 20 JCED CC(C)(C)S(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1760803907 SDSABGQKMIEKIU-MRXNPFEDSA-N 488.636 0.564 30 20 JCED CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766858468 LTTZTVQPWQBSNS-SFHVURJKSA-N 486.602 0.642 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccn(C)n2)CC1 1768464991 UPFJGCRUJMWQGS-UHFFFAOYSA-N 463.546 0.721 30 20 JCED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H](C)O1 1769490134 VYPGQMQDLAVKDA-QFBILLFUSA-N 475.571 0.997 30 20 JCED CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1771367081 KZVXBRYFMBRQSI-UHFFFAOYSA-N 487.586 0.983 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777887882 KCBJQLTXZGXIGB-UUOWRZLLSA-N 454.527 0.950 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779041464 DPTPDSINXJHHQM-OPAMFIHVSA-N 481.619 0.217 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)no1 1779125848 FCHIPGYQROFOEQ-QHCPKHFHSA-N 451.483 0.923 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779949148 SMTXBZDBIYIQQJ-NRFANRHFSA-N 458.544 0.481 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4c[nH]c(=O)cn4)C3)c2c1 1780124870 GQLSRHSVPORKSK-WZONZLPQSA-N 461.482 0.959 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CC(=O)NC2=O)C3)c(Cl)c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c3cnc[nH]3)NC(=O)OC(C)(C)C)CCO2)C1 1783899128 ZFYGFEADRPTUGR-IVZHQMGZSA-N 467.592 0.994 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784260685 QYTHMDBLAFQPFW-UZUQRXQVSA-N 480.562 0.869 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785725775 XYKSXNMBBRQWON-GQKSHLLRSA-N 492.573 0.311 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787441396 DIBMPUGQMDTBPM-MPTYRVRUSA-N 489.529 0.398 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787496721 UXXJIPLAQOCXBY-UVPYHEFZSA-N 464.592 0.050 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1788227714 SCVKYQIBNWRTRU-FENNVDPPSA-N 467.494 0.403 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1ccc(-n2c(O)nnc2O)cc1 1789272336 HREWVPOUJRVPGJ-FLRUPXEYSA-N 497.556 0.744 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21)N1CCN(C)CC1 1789797395 LAULBIUZCALTQH-NTPMHYTDSA-N 457.550 0.927 30 20 JCED NC(=O)c1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1790130500 CKOWEKQABZPWTH-ICJJWYMZSA-N 458.515 0.908 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(Br)ccc3[N+](=O)[O-])C[C@@H]21 1791073232 UAHJWYZGXUXXPC-NUTKFTJISA-N 494.298 0.968 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)[C@H]2C1 1791103250 SVCDNJIQLSVERC-VMXHOPILSA-N 495.573 0.461 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]2C1)C(F)(F)F 1791143082 PUMGDDSXIXFGDU-BZSNNMDCSA-N 482.496 0.781 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)C(=O)C1 1792636221 YOTTVMLTQOMVMZ-HGKCTWBKSA-N 477.562 0.205 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C 1793008532 GSCDHYMUGIGVNY-UJMXGEILSA-N 462.591 0.977 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)C2 1793347991 UYDPDHZYFCAUBW-MNLSVMLLSA-N 454.449 0.771 30 20 JCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1793569474 VTTLUHGWFIOQCR-OYSTVDSJSA-N 499.630 0.991 30 20 JCED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2)C(=O)O 1795645970 YQWKKFLUCSIXLD-CXHZTBPHSA-N 479.331 0.587 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796444242 IPSQFMJDWALDTM-ZAELMVBLSA-N 493.582 0.962 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(I)ccnc1OC 1798713273 YENAKMZWQBRTGO-QHBPRCKVSA-N 455.252 0.531 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1799235998 VBKPOLMNZOLVIO-UJWQCDCRSA-N 489.577 0.521 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799237724 DPTOBLGHMWKCLN-LSOKVRQLSA-N 452.511 0.557 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1799306969 UQOKXCVFGLFTRH-IHEQNBGGSA-N 495.573 0.456 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1799349721 CAHVENPSJGDFTC-XAPVIXHLSA-N 486.569 0.966 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2c(C(F)(F)F)cccc2n1 1799899016 BIOLTYWLGCBTLN-KSPBDQMDSA-N 450.373 0.644 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cc(Br)ccn3n1)C2 1800777118 DXKKWXYCRIMLQV-KSPBDQMDSA-N 461.272 0.388 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)N(C(=O)OC(C)(C)C)C1 1801737532 UYTLGRIQHWMREJ-YRPNKDGESA-N 480.606 0.477 30 20 JCED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(OC(C)C)c(C#N)c2)C3)c(=O)nc1O 1801970752 JCKSUMYETUIKIH-HATOLVCRSA-N 495.536 0.820 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988866 RMZWMIKQOJXUCR-BASYENTBSA-N 465.428 0.877 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(N)=O 1802165236 XCGIEKMMBLWAIK-AJYBTWMASA-N 473.530 0.115 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)[C@H]1c1cccnc1 1808449659 IVCUWAOPCPQMHJ-ZVDOUQERSA-N 460.531 0.748 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Cn2cncn2)[C@H]1c1cccnc1 1810472764 LLJDJXGBLGMNKE-QYFWUSSGSA-N 451.531 0.874 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3CCc4nc(NC(=O)CC[C@H](N)C(N)=O)sc4C3)c2c1 1815066763 NEMDEENKIKKVHO-YPMHNXCESA-N 466.527 0.710 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825669392 CTQFJWJDLFAJSZ-SCRDCRAPSA-N 478.527 0.371 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828806329 QDCNXONUXJAIFW-NRFANRHFSA-N 452.475 0.039 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCN2C(=O)OCc1ccccc1 1828981866 XZOPTXSUCOUDJM-XMMPIXPASA-N 481.557 0.582 30 20 JCED CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332488 NRRKNEJTYJQBDD-QRJOEMBSSA-N 484.553 0.900 30 20 JCED C[C@]1(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)CCCN1 1829334748 MECYNTKBALPPID-RPBOFIJWSA-N 482.537 0.669 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NNc1ccccc1)CCO2 1829807802 DKTGNHMFEFUUGN-YADARESESA-N 474.558 0.957 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830050505 LWHMLBVIIMYOPY-KSFYIVLOSA-N 468.551 0.268 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCOC[C@@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)CC1 1830052886 ARAWUIUGTWZNCN-HSZRJFAPSA-N 494.589 0.755 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056594 GZHWLPKTKXVBFJ-ZHRRBRCNSA-N 468.551 0.532 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1831424935 OGLDEYSFVCJWKZ-WZONZLPQSA-N 455.515 0.928 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1831997552 BYSLBULRPBXVPC-SBUREZEXSA-N 493.561 0.846 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)CCC1 1832253610 MZHWUIJZVBLFLO-MRXNPFEDSA-N 451.373 0.492 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3COc4ccccc4O3)CCO2)C1 1832492485 MCEAQJNHGMXXCE-YKSBVNFPSA-N 472.542 0.565 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4cncn4)C3)C2)c(O)n1 1833699787 LVGZWKGSIIMUPI-HXOBKFHXSA-N 470.530 0.829 30 20 JCED C=CCCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CN4CC(=O)NC4=O)CC3)CC2)c(O)n1 1833710452 HWZPZIMXVSYWTJ-UHFFFAOYSA-N 498.584 0.643 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834679079 OHSDEQUBWDYUAY-LJQANCHMSA-N 493.653 0.901 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1835169395 BRQIHERUWUAAOB-FYWXSZBBSA-N 472.542 0.886 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835299001 WFHNAIUBUAMCDE-GWUIQJEXSA-N 461.515 0.705 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c(C(F)(F)F)n1 1835305438 CFONADBBXUDEDR-QRWLVFNGSA-N 481.431 0.321 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835349791 YTPUCSMWLDDZNL-HSZRJFAPSA-N 457.483 0.612 30 20 JCED CS(=O)(=O)CCC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835733237 WZGKZWYGUNHJOC-OQKWZONESA-N 455.625 0.464 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1sc3nccnc3c1N)CCO2 1835873892 HTDKAHRDLAGHQX-LJBSOROUSA-N 486.554 0.202 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)N1C[C@H]2C[C@H]2C1 1837294583 JKOJWTAJQWMRBL-ZHBILRMLSA-N 468.554 0.734 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1837528714 NINYYLYOFXZVOD-GMSRIDPHSA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837529612 WKPWSYWLPSHETN-OYHJGKDFSA-N 472.502 0.328 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)cnc2C1 1838414049 AKYRPLQXFBCWKP-HSZRJFAPSA-N 488.545 0.617 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1839173997 ZIVPUTZTKMBSTK-SQJMNOBHSA-N 471.554 0.667 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1839176529 TZLDZMGUUKUTAB-QHCPKHFHSA-N 456.499 0.914 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1839226075 CQJTWOWRRXIHOJ-KSFYIVLOSA-N 493.586 0.149 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)ccc1Br 1839400850 CTCIWNKUKGDXCS-MDKPJZGXSA-N 493.358 0.114 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnc6ncccn56)C4)C3)c2c1 1839488578 ZQJVWNWVDNCUQQ-DEOSSOPVSA-N 486.492 0.861 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839624786 PDIRUXXNRWGZOX-UWJGKTOOSA-N 490.492 0.467 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1840108233 HBJMQQJQIHCODA-DRSNIGMVSA-N 493.565 0.160 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CNC(=O)C(F)(F)F)CCO3)c1 1840201490 SXRVVBQCGFPHOV-NRFANRHFSA-N 482.459 0.626 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)n1cnnn1 1840473892 ZLBYEPZDDJHSOH-VGSWGCGISA-N 453.503 0.195 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1840795611 SFOWKYYENQLNKM-YTZAWJCFSA-N 494.589 0.438 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)c1 1845874226 JMURLMUFNYXQJQ-RBUKOAKNSA-N 481.578 0.864 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(-c2ccc3c(c2)OCCO3)c1=O 502047708 WQJYLJGLUCRHFA-KRWDZBQOSA-N 493.545 0.202 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](c3nnc4n3CCC4)C2)CC1 503594281 LTNDBGQDYWNIEU-IBGZPJMESA-N 483.598 0.808 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCOCC 608778777 GPNRPSJPRKWEQF-UHFFFAOYSA-N 488.522 0.655 30 20 JCED CCS(=O)(=O)N(C)CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 726401705 RJDMHDJXEMJMTA-OAHLLOKOSA-N 469.589 0.525 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 729671066 CKOBYUMXORQGEQ-UHFFFAOYSA-N 469.563 0.632 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2/S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cocn2)cc1 730724436 LWWADHFCOSLZTA-QQMHEVNUSA-N 463.541 0.991 30 20 JCED C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)n1 746391466 GIHYLMSARSSGKK-CQSZACIVSA-N 477.616 0.919 30 20 JCED CN1CCN(S(=O)(=O)c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 747588860 UDVBFONXOBJOQV-UHFFFAOYSA-N 477.568 0.300 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)cc1F 838691573 WUMXNMAQJJAVDQ-LBPRGKRZSA-N 459.478 0.565 30 20 JCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 915785564 LZILSXSYDOVFJB-UHFFFAOYSA-N 458.500 0.141 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 916417628 WZYXTZOVRUFEGJ-OAHLLOKOSA-N 468.557 0.597 30 20 JCED CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1295055622 KCGLAZWFNVCRMB-MRXNPFEDSA-N 474.591 0.565 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC(=O)N1C 1305155516 OMXUYBRZDCZOAI-MAUKXSAKSA-N 457.560 0.908 30 20 JCED Cc1nccn1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1542977839 ZEKYIKDLAWKIPO-LPHOPBHVSA-N 466.543 0.648 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1545148396 LNBJKOCPFGOAEM-YRNRMSPPSA-N 468.580 0.281 30 20 JCED CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1=O 1614874246 QBWPIFVZOPMQOG-JOCHJYFZSA-N 472.571 0.815 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1=O 1619927562 JICVVKOBNFTEGG-HKUYNNGSSA-N 472.571 0.935 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1631649109 KRVYVMGOAWDZGS-QGZVFWFLSA-N 455.540 0.690 30 20 JCED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1693751772 YMEYKMRCUIIJJT-NVXWUHKLSA-N 457.560 0.765 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2CC)C1 1710348512 ZDGLFBCARCQGHI-KRWDZBQOSA-N 455.548 0.994 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748293642 RDULMUSZXRVTNF-UHFFFAOYSA-N 469.575 0.735 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/C(=O)c2cccs2)C1 1778097322 VWGRZUJVAQNNMZ-RLICLBBPSA-N 462.572 0.594 30 20 JCED O=C1NCCCn2nc(C(=O)N3CC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cc21 1778381351 ZTBWJBQGXVBVGR-HPARJBSBSA-N 454.487 0.172 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1779606902 UQACPOQADSZHLY-UZQCKINESA-N 450.499 0.774 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C2)C1 1780912654 DYHCNKLOXJBDQY-OSPHWJPCSA-N 482.541 0.185 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)Cn2cncn2)CCO3)c(C#N)c1 1781174011 ZABNQTUNHJVTKW-SBUREZEXSA-N 452.515 0.867 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CCO2)C1 1781394218 BAPSAEAESHZAPA-CMJOXMDJSA-N 481.513 0.815 30 20 JCED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009488 MXZPVZGHBQIWPY-WJONJSRFSA-N 451.520 0.749 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3cc(C(F)(F)F)ccn13)CCO2 1783566680 YFJBEQZEJMVIBE-LJQANCHMSA-N 450.373 0.885 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783612357 WHGHYIXGKHAAFK-DDOIHHOZSA-N 465.547 0.225 30 20 JCED CN(C)C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783777631 IYXZANKRWFBMOZ-SZNDQCEHSA-N 472.608 0.506 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CCO2 1785421159 MDNIWBPRULVUTJ-ZGVBGQFESA-N 469.604 0.892 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786562252 HGOWZFBECHTNPO-UTYWTXRGSA-N 461.522 0.626 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cccn2c(O)nnc12 1787386201 WCWDLCZLENRBHZ-RGDGEWHGSA-N 472.502 0.557 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn[nH]c3C(F)(F)F)[C@H]2C1 1789359981 KPKUJFDEYQBCDG-AVGNSLFASA-N 459.425 0.926 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]32)c(C#N)c1 1789843345 JHVNJGKKOPBRJZ-WBAXXEDZSA-N 482.459 0.768 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1791103444 YNCPWTAZLPYCCW-VGWMRTNUSA-N 452.508 0.336 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 1792484208 IOHNMFFUTDEWIZ-NOOKGOPLSA-N 456.499 0.975 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(c3cccc(OC)c3)C1)C2 1793341416 PSUVXAGGAILAGY-YHSXXIMFSA-N 469.538 0.676 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cn[nH]c1 1794067011 KNFWOUNVCQQWSU-AJYBTWMASA-N 459.547 0.849 30 20 JCED CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(Br)c(C#N)c2)C3)CC1 1797237643 SBJXUOLMCIZLRC-RMFSNUHRSA-N 490.402 0.771 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NC(=O)c2cnccn2)c(C#N)c1 1797867851 RWBGFSKYBNYQRZ-RTNRFSENSA-N 492.536 0.307 30 20 JCED O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)NCc1ccco1 1797892574 CJLBMKSXOGYVIX-BVDZDMRKSA-N 454.483 0.754 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CN)C2 1799233421 ZRCVTMJITYTWHK-QTMHVTGLSA-N 450.580 0.868 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1802023400 BRGGZHXVPSLPLB-JLVBRIDZSA-N 483.529 0.129 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1802088173 VNOWINPOYJTQPP-UXXRCYHCSA-N 459.565 0.351 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)/C=C\C(=O)NC2CC2)[C@@H]1c1cccnc1 1810124793 QVDRSMQNMSMWNH-OZOZXOFESA-N 451.527 0.781 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CS(=O)(=O)N2CCCC2)n[nH]1 1818107333 LNHQQNYPEKPGDB-DOTOQJQBSA-N 451.549 0.866 30 20 JCED CN(C)C(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC#N)C2)C1 1828934928 UYKPWYWALWHTLO-HSZRJFAPSA-N 455.515 0.830 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCN2C(=O)OCc1ccccc1 1829016606 BJDMCVVXJCOZAZ-QFIPXVFZSA-N 453.503 0.701 30 20 JCED COCC1(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)CC1 1829330658 NKHXEKZJAGYKRX-VWLOTQADSA-N 483.521 0.953 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)c2ccco2)CCO3)c1 1829826032 OZKUFMUZLIXDIQ-OFNKIYASSA-N 455.467 0.963 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nncn5c4)C3)C2)cc1 1829903288 NVLJYCFTDPXJQF-XMMPIXPASA-N 460.494 0.914 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1831435322 PLCXSPNMZMQIKA-KSFYIVLOSA-N 484.546 0.890 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831613691 BOHVOPQZNCCFAK-SMGXNKOPSA-N 494.589 0.424 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832101184 MWKKIDRMMMVTHS-VFNWGFHPSA-N 461.544 0.136 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832109574 PLLBMXDTTSLRQX-YCRPNKLZSA-N 478.575 0.899 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832423301 AWDOHTSTXYZLHN-WZONZLPQSA-N 451.564 0.419 30 20 JCED Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1833131449 GFRNYWXSUROVBE-VVVHYZARSA-N 460.531 0.918 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCC(N3CCC(NC(=O)C(O)O)CC3)CC2)CC1 1833223706 GWJMWLPTJKXBGT-UHFFFAOYSA-N 493.605 0.410 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1833314437 HNHBXKYVUYPSLJ-QHCPKHFHSA-N 467.457 0.575 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1833597253 XXJJQDSWXGYMOP-QFIPXVFZSA-N 481.571 0.538 30 20 JCED O=C(Cn1ccccc1=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1834824259 NJSZTOSMBNTZTG-XIEYBQDHSA-N 456.591 0.892 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)[C@H]2C1 1835362450 LFSRECSIVPXGAI-ZVVFGRKBSA-N 492.573 0.628 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1835678055 WJCCGEDEVIXVDP-JOCHJYFZSA-N 455.519 0.081 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835768988 IHVRVNKOTHBQFA-WKUHJGIQSA-N 480.610 0.795 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836052126 PAMXKYWDZDKACR-COMOFLLJSA-N 461.519 0.395 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2)c1ccc(O)cc1 1836353821 MJTUSUVHHMWBLL-WZONZLPQSA-N 453.499 0.778 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445459 ZMBGBOWDCGWYLB-GLYQIKNISA-N 497.556 0.982 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Nc2cnccn2)CCO3)c(C#N)c1 1837483084 JMFFBVDTJKDWDL-AVRWGWEMSA-N 494.552 0.856 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc1 1837486900 SPCVYTGHNSTCMV-JYFHCDHNSA-N 486.565 0.884 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491504 OKBDXIWAVGCIJW-UVDDSOTQSA-N 454.589 0.300 30 20 JCED CN(C)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524173 BEEVDULKODLVSR-ALUBYUQESA-N 475.546 0.747 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1)c1ccccc1 1837612414 VQKQMOFXFOHBNG-RLSLOFABSA-N 482.537 0.238 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)CC1 1837869325 LPDRBXIOCGQYQT-UHFFFAOYSA-N 490.649 0.431 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)cc(OC)c4)CCO3)C2)n1 1838581570 ACYKENRWYCXZQH-DEOSSOPVSA-N 483.525 0.794 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1839109247 YUUZBWCKWIZGFO-BSRJHKFKSA-N 499.630 0.590 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)ccc1F 1839187136 LNVIYDLCALIAAG-WIOPSUGQSA-N 481.528 0.661 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839204474 RIQQCXMHAULHHJ-UZUQRXQVSA-N 480.562 0.412 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO3)c1 1839387137 ABNSERSYZVROBJ-DVECYGJZSA-N 488.541 0.780 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839425344 WMNWZWIWLLJNKE-VXKWHMMOSA-N 479.917 0.897 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839577989 KIYPSWDTKDLNPF-GAJHUEQPSA-N 490.582 0.769 30 20 JCED O=C(CCc1ccc(O)nn1)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839651288 VVNRJPWQQDJHQM-HPARJBSBSA-N 457.487 0.283 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1839716168 ASOZPHJMBBWCHV-HSZRJFAPSA-N 458.515 0.462 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(O)Cn1cc3c(n1)-c1ccccc1CC3)CCO2 1839745577 PRWQKZADKJBDKN-FTJBHMTQSA-N 478.549 0.489 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840077124 ATWCFSDVSTVWIR-XXBNENTESA-N 472.579 0.086 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)[C@H](C)S)CCO4)C3)CC2=O)c1 1840156973 ZUDCPPQHGNBDSV-YGKZAACZSA-N 477.583 0.823 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CNC(=O)C(F)(F)F)CCO4)C3)c2c1 1840204634 LWUUZAIUOIGNIH-HXUWFJFHSA-N 494.430 0.183 30 20 JCED Cc1nn2cc(CC(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)nc2s1 1840812491 USEVZIIRAJBXQP-NRFANRHFSA-N 458.544 0.792 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1840818665 OVSWLBKVHRTNTI-DEOSSOPVSA-N 479.493 0.201 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1840819728 BRTKEQZOFGFQHL-XMMPIXPASA-N 479.493 0.427 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(OC)CN(C(=O)OC(C)(C)C)C3)C2)C1 1840842613 QHVXNDNIWCPDDN-DEOSSOPVSA-N 479.574 0.882 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1840912751 PAEXZASGHQSINS-HZCFWTAGSA-N 494.589 0.424 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1841602907 ABRZJTMXWOSVFN-SJORKVTESA-N 485.603 0.556 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841893455 NBMHIFWKBGSPIB-QGZVFWFLSA-N 484.619 0.390 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)c1 1841985575 LXUYEPIPCDNPDG-MRXNPFEDSA-N 489.536 0.578 30 20 JCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2)NC(=O)OC(C)(C)C 1846934448 BQGCUCLUBLNLCC-OAHLLOKOSA-N 466.535 0.592 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1847263104 XNOMMAXHJKGPOS-OXLFWHROSA-N 462.547 0.274 30 20 JCED CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](/N=C/C(O)=C/[C@H](O)[C@@H](O)CO)C1 2048529144 KNTYLUZSSSHOSU-CEGNHIOISA-N 456.536 0.554 30 20 JCED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 26016806 QUKBLYIJBHUTCP-HSZRJFAPSA-N 499.524 0.997 30 20 JCED COCCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n[nH]c1=O 27665253 NOTUWUYQONFCFO-UHFFFAOYSA-N 480.572 0.105 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(C)c2)c1=O 489192133 BAMZMISWKANOAP-UHFFFAOYSA-N 454.596 0.970 30 20 JCED CN(CC(=O)NCCCN1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 500055526 UVEPAJGKFJOPMO-UHFFFAOYSA-N 456.572 0.902 30 20 JCED CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 504561429 RMPLPXWHVYOWMH-UHFFFAOYSA-N 457.578 0.246 30 20 JCED CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 504575694 QNRXFSACJUACLA-UHFFFAOYSA-N 457.578 0.246 30 20 JCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 514350461 BZGVDUBMQIEPOH-CQSZACIVSA-N 470.530 0.694 30 20 JCED COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 514460840 ZCVMWBBZTVKFEA-HZPDHXFCSA-N 452.533 0.444 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCc1cccnc1 524335441 RGLAAJXKAMZHPU-UHFFFAOYSA-N 492.557 0.584 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(C(N)=O)cc1 549529794 RHABZISAUKDQJF-UHFFFAOYSA-N 477.502 0.934 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(F)cccc2F)c1=O 603795991 YRVNJCWRDXEJHF-UHFFFAOYSA-N 451.495 0.880 30 20 JCED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCNS(C)(=O)=O)c2=O)cc1C 608912416 MMJDOJAXZWLSNL-UHFFFAOYSA-N 474.608 0.166 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(Cl)nc1 727165024 YNWCGCQCEOZDFT-UHFFFAOYSA-N 496.980 0.294 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 769213979 AIHRBFMSGUGOOQ-CQSZACIVSA-N 494.551 0.657 30 20 JCED O=C(COC(=O)c1ccccc1N/C=C\C(=O)C(F)(F)F)NC(=O)N[C@H]1CCS(=O)(=O)C1 809684391 AKWARSAFTAFDLG-XOIDGJRKSA-N 477.417 0.913 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)cc1 856434292 ZGPRMVVYTGMAKX-OAHLLOKOSA-N 453.517 0.997 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCOCC2)c(F)c1 918872805 SIRMMVQLMQQFJY-UHFFFAOYSA-N 490.513 0.560 30 20 JCED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N2CCOCC2)CCO1 1316541273 VGIWUQODLBUMKM-HNNXBMFYSA-N 459.532 0.247 30 20 JCED CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1503837906 UDNNPJDOHYQXPX-UHFFFAOYSA-N 473.538 0.565 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2Cc2nccn2C(F)F)C1 1505141634 SBICQJIVECIVPK-CQSZACIVSA-N 470.506 0.991 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(N4CCNC(=O)C4)ccn3)CC2)cc1 1540648187 ZMLYEYQJXAQDEJ-UHFFFAOYSA-N 454.512 0.036 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CCO1 1554451506 IJTFGACUHMDZIC-LAUBAEHRSA-N 458.544 0.548 30 20 JCED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1742907678 ZXGFWZRZBRQPIA-CRAIPNDOSA-N 457.560 0.908 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1746047552 HNQGKJCXYSCHGA-DEOSSOPVSA-N 467.574 0.959 30 20 JCED CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1746551802 NHWUAPGAGSBXHI-UHFFFAOYSA-N 453.503 0.954 30 20 JCED CC[S@@](=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1768312361 XKGIWACZJLRJBK-BEIWTESXSA-N 466.589 0.693 30 20 JCED N#Cc1ccc(-c2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2CC(=O)NCC(F)(F)F)cc1 1771533032 WSTTYJFHXNTEOO-UHFFFAOYSA-N 490.490 0.896 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778755448 XYIHPNFQLSCKSW-OCOIBCLLSA-N 496.630 0.030 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779428126 HTDZFEKMCYQVTO-AVCWCNGXSA-N 469.608 0.513 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337378 MJKPCJNKGBLPDC-KSFYIVLOSA-N 461.519 0.606 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1780738301 OSTXDVQVTOXRSX-ZDWFVDTJSA-N 483.562 0.853 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1781165842 ZXFMAPWEMVDPCO-GAJHUEQPSA-N 464.563 0.601 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1781187323 GNNVONPBJWNOTK-BTYIYWSLSA-N 452.508 0.576 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)cc1 1783441352 MBVMPHXKJUWCCL-BJLQDIEVSA-N 475.509 0.515 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1)NC(=O)OC(C)(C)C 1783684818 CRBOSSKGFQPRDB-NXOAAHMSSA-N 480.562 0.972 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783887539 ZOYJKIVVURLOAV-QRWLVFNGSA-N 457.593 0.897 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)CCO2 1783924038 NTECCQPWHYPBDD-JOCHJYFZSA-N 450.536 0.472 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1784444155 IKXDMQKSTWJXHF-CAIZAGQASA-N 478.571 0.245 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1784501070 FIWACNOHZPLMNA-IWFBPKFRSA-N 485.585 0.592 30 20 JCED CCOc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)cn1 1785607300 OTEIQNYEPSPIJC-VUADPYEGSA-N 461.519 0.998 30 20 JCED N[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cccnc1 1786929147 BCMPHLBNAOMJCL-FBYMMUJPSA-N 459.547 0.980 30 20 JCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(-n5c(O)nnc5O)cc4)[C@H]3C2)CC1 1789272496 OBPYKSXAQOWORE-XIRDDKMYSA-N 452.471 0.576 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CN5C(=O)CSC5=S)C[C@@H]43)c2c1 1790330451 MOHBYZAZVFNNJN-QRTARXTBSA-N 498.590 0.888 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]4CCO[C@H]43)[C@H]2C1 1791123827 MOILLUZINFPKKH-REBNMZDTSA-N 461.559 0.871 30 20 JCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCOCCOC)C[C@@H]21 1791273420 WUELFXWVDAZOSA-ACRUOGEOSA-N 454.564 0.466 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795448745 ODZGRNWQMDVZPL-CLWJZODNSA-N 464.563 0.668 30 20 JCED Cn1ncc(Br)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1796749007 WUCAWHWXKCTICV-CWEBUXBASA-N 484.351 0.915 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798101933 FBGGOJDRHCWDIA-LTCOOKNTSA-N 487.513 0.295 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCOCCOCCOC)C2 1798400220 HTFNVLMHQFHDNP-IYWMVGAKSA-N 456.580 0.894 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(C#N)c[nH]3)C4)C[C@H]1CO2 1799156084 LNGRLRZXLZVRJL-URIBORFWSA-N 485.541 0.868 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799373676 BZZGLEPIWALCAS-KYHREEPGSA-N 490.601 0.894 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1799389387 JZIZONJIGPJGMC-YSWKBACZSA-N 474.558 0.556 30 20 JCED CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)cc2C1 1800128317 VJWSUOUMRRBXHA-BTCZBEAXSA-N 474.562 0.451 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O 1801334161 QTTZCBZQVIIXOL-FZKCQIBNSA-N 464.519 0.084 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)CN4C(=O)CNC4=O)[C@H]3c3cccnc3)c2c1 1804094042 BRJVHWGQJWBTAY-KSFYIVLOSA-N 486.492 0.701 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804192960 SJPGAYLRTFZUSE-LMNJBCLMSA-N 464.588 0.409 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1804372910 DWFPRSZJCRIBFX-QKPAOTATSA-N 461.519 0.093 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1808844882 ATQUMNJHACDHMO-QGPMSJSTSA-N 455.452 0.613 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812880057 WJRHDRJKRPINAH-OEMYIYORSA-N 486.525 0.546 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815690776 LQRUYQPPOUPSBG-GXTWGEPZSA-N 474.547 0.658 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664961 SYBYFJADZPYWRR-WCQYABFASA-N 465.532 0.385 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2)C(C)(C)O 1828310548 DIGORKPVTHSSSS-MEDUHNTESA-N 480.543 0.807 30 20 JCED C=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)[C@@H](N)CCC(N)=O)C3)C2)C1 1828487627 MIRWUPVLDVAPTM-HFZDXXHNSA-N 497.596 0.998 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828632956 UUCJRHTZQVHOFS-KOSHJBKYSA-N 496.524 0.340 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829045199 WRRWPBQEVYCRKA-YCRNBWNJSA-N 477.631 0.679 30 20 JCED CC(C)N(C)CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829333681 CQOUABSJXWIOOE-RUZDIDTESA-N 484.553 0.867 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)c1 1830460139 AFWBRXGMOAXBPX-OZXSUGGESA-N 477.565 0.912 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1830881614 FQARWBVTMPEZED-PMAPCBKXSA-N 485.578 0.310 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCO2 1831111266 CGOCGDWZYSVZGZ-HYBUGGRVSA-N 454.527 0.795 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1F 1831223441 SRPOTIXKGIOVAX-JOCHJYFZSA-N 464.515 0.713 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1831403213 ZERMYXGCXYRQTD-YADARESESA-N 457.527 0.301 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1831404056 HYEOCOUPKFRQII-VGSWGCGISA-N 465.547 0.538 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831447737 ZLMJCBOKPKMBPX-JOCHJYFZSA-N 461.540 0.843 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)no1 1831493841 UYUKIGGMJIAQJV-XLIONFOSSA-N 454.549 0.124 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1831494385 XOAPAZPZTYFUQQ-RXVVDRJESA-N 461.544 0.114 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831573610 NOCPTONGVBKWPR-HKARXFIJSA-N 496.561 0.411 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1831998138 JYUDWIFUXGOUQH-HJPURHCSSA-N 491.545 0.722 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@@H]3F)CCO2)C1 1832131452 LTFIZCACONBXPZ-MPWIWIEXSA-N 453.511 0.717 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cc(C)c(O)nc2=O)CC1 1832772375 ZZHHIJDBODYOMM-QULHZPMSSA-N 471.558 0.735 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833208351 PXTHEKACYWNLMA-QFIPXVFZSA-N 462.934 0.899 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1833239921 WUIIESCFVRCQEP-VXKWHMMOSA-N 458.990 0.986 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c(O)n1 1833304360 ZWCSXWKABJBNTD-RUZDIDTESA-N 495.536 0.784 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)n(C)n2)CCO3)c1 1833407377 YLHVGMHDVXVGHH-JOCHJYFZSA-N 455.471 0.390 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833597167 VJDLIFZARLLIHF-HXUWFJFHSA-N 450.517 0.105 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)c(O)n1 1833700380 VSFROLIEUOPNTM-WAIKUNEKSA-N 460.531 0.500 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1834763756 WYRBTZHZPXNNBG-QHCPKHFHSA-N 464.482 0.481 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNc4ccccc43)C2)C1 1835674998 UCUVLYBHWLDSDZ-CYFREDJKSA-N 455.559 0.934 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cc(O)ncn3)CC2)CC1 1835765623 LPQOKYVCRIOQSA-PFRKPPGBSA-N 460.535 0.896 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1836215519 AFCWOGOXBWHLEC-IUKKYPGJSA-N 465.547 0.227 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836630991 IQBRQONWGXYTFO-IBGZPJMESA-N 481.590 0.993 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)C1 1837392603 FNRDVCWXGKQDIS-PLOUGOBLSA-N 466.575 0.995 30 20 JCED O=C(NCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccccc1 1837496473 IXFSQGBVSGWMPN-MHZLTWQESA-N 497.592 0.962 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1837668760 UOTWVXDBNJBEOL-HYBUGGRVSA-N 475.590 0.906 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncsc4[nH]3)CCO2)C1 1837750293 VSGYLMHHSJMYLO-NRFANRHFSA-N 460.560 0.976 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835883 MLVVFYIAUOSWBH-ISXGRJCASA-N 490.494 0.239 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1839108071 APAIOFJVOWNZLU-SAHWJRBASA-N 480.562 0.220 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1839130635 KHYUYXJSPBZUTB-STSQHVNTSA-N 467.563 0.520 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1839173944 WUBARRLEWFMQJG-GBXCKJPGSA-N 458.511 0.956 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1839222973 GWYFLFPVBMALIS-XMSQKQJNSA-N 452.552 0.646 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839384766 QIODOLXCGOKEKX-JXFKEZNVSA-N 459.565 0.205 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839422478 WSWPCDFAMTXAPM-QPPBQGQZSA-N 498.515 0.238 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C)cc(C#N)c4)CCO3)C2)n(C)n1 1839451324 MUJANSIIPODUOS-QHCPKHFHSA-N 453.499 0.993 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)c1 1839452292 UBMQNDCMSJMRNM-QHCPKHFHSA-N 461.482 0.688 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(NC(=O)c3ccco3)cc1)CCO2 1839471389 PJSXRZAPXKYIOQ-XMMPIXPASA-N 481.461 0.690 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840425930 HWIPXMHWJHMNPB-FIRSQWHBSA-N 476.530 0.834 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C4CN(C)C4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1840572617 JAMHNJBLJOTZCA-YADARESESA-N 478.590 0.570 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2 1840715278 VYEKFESXIGZWSL-SBUREZEXSA-N 473.599 0.868 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815222 DHEDBNGLKPPCSU-SBUREZEXSA-N 455.515 0.350 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1840907254 SHFLYAOTIJWTBE-PNLZDCPESA-N 453.536 0.130 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1840912799 RMSKCGRMLJIXPV-UOKFIYJESA-N 489.573 0.960 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 31534910 WXTMSRFQUGSSQI-UHFFFAOYSA-N 462.553 0.712 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 492168597 NQEKRYVKOYPXDJ-HNNXBMFYSA-N 456.528 0.927 30 20 JCED CCc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccnn3C)c2=O)c1 502039291 AKMREVLTOMGMHH-UHFFFAOYSA-N 492.605 0.146 30 20 JCED CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 518129147 GPKLTOZRWZBADE-UHFFFAOYSA-N 469.523 0.780 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1=O 523379235 MDBFOAUTFMXABA-UHFFFAOYSA-N 496.524 0.935 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CCNS(C)(=O)=O)c2=O)cc1 524282208 WFLPXRDHQKLVKS-UHFFFAOYSA-N 483.571 0.854 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc4c3OCO4)c(=O)n2C2CC2)CC1 603998383 NLYUBCSHCNTXES-UHFFFAOYSA-N 452.536 0.641 30 20 JCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 608828819 LXJJCIBUKPOUQM-UHFFFAOYSA-N 492.557 0.662 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 728532402 YSFNRSNNXBKXAD-VWLOTQADSA-N 487.560 0.394 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)n(CCCOC)c(S)nc3c2)CC1 728534955 SZZPBPAWWYFHFB-UHFFFAOYSA-N 457.556 0.229 30 20 JCED C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 761727726 OHNSVTZESUBSEN-CYBMUJFWSA-N 450.542 0.982 30 20 JCED NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 811476963 YRWZLYJGUJPVFO-HXUWFJFHSA-N 455.540 0.486 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc3ncccc3c2)c1=O 838181826 IYAIQFHAYBQGGE-HNNXBMFYSA-N 452.536 0.759 30 20 JCED CSc1nc2ncn(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c(=O)c2s1 915672664 GCCSAASBSAPIPR-UHFFFAOYSA-N 490.592 0.980 30 20 JCED C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cccc(-c4nnnn4C)c3)cc2C1=O 917438942 HBAMKTOIRGVQJP-UHFFFAOYSA-N 452.452 0.778 30 20 JCED CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918252558 CWOKOJIMSWXLCH-NCELDCMTSA-N 478.619 0.580 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCCS(=O)(=O)N3CCCC3)CC2)o1 919555370 OMNMDFXPTQXKLG-UHFFFAOYSA-N 453.521 0.252 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 1648445640 WWZUIYSNGGOPSI-GQIGUUNPSA-N 458.581 0.746 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2S(=O)(=O)N(C)C)CCOC1 1696100379 ZYCGZZKHJHEXBR-XMSQKQJNSA-N 490.586 0.958 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOCC1(C)C 1696826669 JPRBBFMUPGDTEA-UHFFFAOYSA-N 461.592 0.913 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@H]2C1 1705689139 YZPXATYRRPTPQW-UONOGXRCSA-N 489.396 0.331 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1778969165 DSHYLFWRZHRGMZ-SAHWJRBASA-N 468.595 0.632 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1779332853 RRTDEGYCMPLCMY-XCGNWRKASA-N 458.519 0.118 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1779359027 PUSHHSDUAZKANC-LPFFWNTMSA-N 459.547 0.287 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)C2(N4CCN(C)CC4)CC2)CCO3)c(C#N)c1 1781173265 ALJVGYLBDJIWHF-VWLOTQADSA-N 481.597 0.719 30 20 JCED C[C@H]1[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCCN1C(=O)OC(C)(C)C 1781187385 GUGJXXLOBCLRMP-HKARXFIJSA-N 463.531 0.940 30 20 JCED C[C@H]1[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCCN1C(=O)OC(C)(C)C 1781187387 GUGJXXLOBCLRMP-QQMNAOGKSA-N 463.531 0.940 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1781311454 WUEUSJOOSDQUGN-DVECYGJZSA-N 472.542 0.953 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1781395675 OWSZPLKFRUUMKQ-VFNWGFHPSA-N 463.560 0.522 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1782670863 PSYRMHUWQWMICY-SBUREZEXSA-N 456.547 0.312 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1783198241 ZMCKEOKTUWDQHO-XOBRGWDASA-N 474.505 0.796 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3[N+](=O)[O-])C[C@@H]21 1783531094 APHWTCAOGZIKJQ-MZGITEKTSA-N 486.525 0.984 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)NC(=O)OC(C)(C)C 1785308010 BGASXBNURFYMNP-HOYKHHGWSA-N 489.573 0.933 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)C(=O)C1 1785370515 AZNPUGMGJCTJHE-XMMPIXPASA-N 489.573 0.589 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785544915 CZBJAARUYLWOTQ-IBGZPJMESA-N 455.558 0.186 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c(C#N)c1 1785545458 VNLYMMHMTUPHLW-QFIPXVFZSA-N 488.591 0.800 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(OC)nn3C)[C@H]2C1 1785616336 IHBIQSVJKGCSFJ-BMFAXAFESA-N 489.573 0.939 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]3C2)c1 1786792846 HFTNTWWQOIXBTO-QRTARXTBSA-N 454.395 0.015 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 1788658058 DLDPODQLLVHSNB-NINDVERBSA-N 456.503 0.852 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789883739 DLPLOCJDLZXPEL-ICUGJSFKSA-N 450.536 0.017 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789913498 BUUDCPKYABJHLC-BURNTYAHSA-N 483.521 0.925 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H]5CCC(=O)NC5)C[C@@H]43)c2c1 1790327882 DRGVYXYULBLWGI-YEWFCNIMSA-N 450.499 0.554 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1792489815 VOFOFLXJGJAIBQ-LSOKVRQLSA-N 452.511 0.557 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 1793347948 REJULWULDUPWLN-CDPKGHFDSA-N 491.585 0.496 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795084450 UHHSQOZZECYECY-TUIIKVOISA-N 462.547 0.762 30 20 JCED COC1(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)CN(C(=O)OC(C)(C)C)C1 1795409085 YUAKRSCETOUTQA-ALXJQNPVSA-N 462.547 0.906 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-n3ccnc3)ccn1)C2 1795599486 LUHQAPFHYQIEFY-XEMDLRDOSA-N 451.531 0.752 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]nnc3n2)c(O)n1 1796570918 ONBZPAIMUILRNO-QDMKHBRRSA-N 464.486 0.597 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)C1 1797120708 UDEZANMDEXBQSU-RZFLPCETSA-N 464.563 0.744 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C)C2 1797669503 UMDOIXVKLPGPRZ-PFBIXUPDSA-N 480.562 0.958 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC 1797759498 RXDPTGRPWIZPPU-ZMMAXQRCSA-N 497.662 0.920 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2 1799232851 GVMFLWJZMPTYEY-CLWJZODNSA-N 464.563 0.538 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cncn1 1801356714 ZQZGIXPOQPTHCP-UYTYNIKBSA-N 462.551 0.898 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1801955680 BQWMIPLCLOKCPK-IPDFOXIDSA-N 451.568 0.963 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 1802201734 HXJVKQNLTWBHNH-XEZGLNCPSA-N 467.538 0.962 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1803553551 UNQJMRBBOQNXMT-IMFGXOCKSA-N 453.499 0.397 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1804193596 CRLYPGYJTNFWJN-SBSGUARVSA-N 490.630 0.290 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nccnc1C(N)=O)C2 1804376326 IWWFBUCRYPZFGH-QKPAOTATSA-N 470.530 0.744 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1805022793 HCVOGOLMOCMROR-HRAATJIYSA-N 470.507 0.429 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)CC1 1805406392 ZLZJZHJOGZNFGA-ZEVQVBBLSA-N 478.590 0.962 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810246105 SJPLAVLBOLGWLI-FGSXEWAUSA-N 454.527 0.976 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2c2cccnc2)c1 1812392313 LPDWLNAZOJKDBE-LAUBAEHRSA-N 479.493 0.824 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)cc1 1829629719 CQLHFZTVHVCHMC-RUZDIDTESA-N 477.521 0.755 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632145 RUDPWLDJUTWQFR-NZQKXSOJSA-N 474.514 0.012 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC)c3C)C2)C1 1829773080 ALCXFKKSNCTJFQ-XXXZYALBSA-N 457.527 0.932 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1 1829956760 SBCAIYWEAVFSJT-GAJHUEQPSA-N 456.499 0.163 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830177615 IACOIYLREUULHD-HSZRJFAPSA-N 492.598 0.442 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1830881717 IUUUNVACAWCOLI-JPYJTQIMSA-N 465.547 0.132 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnccn4)CCO3)C2)c(C#N)c1 1830967118 PKEGPTJKKMBGMJ-DEOSSOPVSA-N 465.510 0.598 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)C2)C1 1831391413 ATTVCWYASZNYNQ-JLGINSKQSA-N 455.511 0.999 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831449507 KUWKZEQUGZVGAX-JOCHJYFZSA-N 487.538 0.411 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831486851 PLOVQOIBHRDNIH-HXUWFJFHSA-N 451.612 0.175 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1831492572 LMAHLBRDBKZIJM-GCJKJVERSA-N 461.540 0.846 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1831495540 CKWGLDCPGNTTLE-AUSJPIAWSA-N 461.581 0.240 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1832000512 RGJYOAQVSSKENZ-IEGUWTFLSA-N 492.577 0.765 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1832000799 XDLDAMURIDOSEG-YCRPNKLZSA-N 464.523 0.344 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1832452548 BVEUOUGIWVWXMT-HXUWFJFHSA-N 466.516 0.988 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2)C(F)(F)F 1833029001 ZEEZQRPAXXDNJS-ZUOKHONESA-N 486.447 0.568 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)c(O)n1 1833696803 OAQNDEYZAGVKLY-DEOSSOPVSA-N 497.508 0.778 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c1 1833763034 JNACKBNXQISIDE-HXUWFJFHSA-N 482.541 0.350 30 20 JCED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n[nH]1 1833818567 MKWJIUUCEJTYHH-QHCPKHFHSA-N 451.483 0.797 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C)n(C)n2)CCO3)c1 1834121055 SGOWDJDTHAKAAD-QHCPKHFHSA-N 453.499 0.993 30 20 JCED CC(C)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(C)C 1835893867 FYMXKHGOKJVMTR-CVDCTZTESA-N 451.612 0.747 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836131945 GOVREMCGABMMKH-VGOFRKELSA-N 478.550 0.204 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1836174026 KVUMIVJORDKTSC-YADARESESA-N 489.573 0.905 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)NC(=O)OC(C)(C)C 1836213740 PWMWMHCRTRLSCM-FDDCHVKYSA-N 492.577 0.594 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836305522 KBZZEFFQTOLLQV-KSFYIVLOSA-N 476.534 0.100 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837439582 VKMHAOSMYVKYJX-NUEQRWBQSA-N 472.590 0.920 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837447543 QOVPCYLEWGAXNU-JKJLQIMHSA-N 493.605 0.972 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)C1 1837526070 SKWMDYIMUGZVBQ-NKPWQKCKSA-N 481.546 0.561 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1837530682 OXCSNVJFUWTOSE-NOIVPASESA-N 492.485 0.899 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837531275 HFCQUUNAJJEPOD-DXVRDOGKSA-N 490.439 0.423 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)c1 1838585093 YGXDTFYTZWKHHQ-VWLOTQADSA-N 490.520 0.922 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)c2ccccc21 1838906966 QBZMUSZNDMTHFA-SANMLTNESA-N 489.532 0.982 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1839174828 YYTPFLAYLDPGQB-HSZRJFAPSA-N 451.564 0.828 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1839276552 NTIOWCQQMCGABA-QJKPHDSHSA-N 476.461 0.662 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1839390306 YNLHVNZMWJCZAA-AYEZWEBNSA-N 475.542 0.786 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c1 1839419751 TVERVJXCTGDDJP-HSZRJFAPSA-N 470.457 0.082 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(=O)OCC)cc3)CCO2)C1 1839444580 VJUMVIXFMWMYNH-HOYKHHGWSA-N 458.511 0.972 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839572645 JNKSCFKKKJARLH-DEOSSOPVSA-N 469.542 0.533 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1839574024 LWMOLAKVSSROIP-XMMPIXPASA-N 471.510 0.761 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(F)c(F)ccc3c1)CCO2 1839594291 DTBZNXBNJWZQQT-JOCHJYFZSA-N 459.405 0.671 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839772739 HQRSFRARSKDULL-GCJKJVERSA-N 452.548 0.967 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1839886968 SEDPSASJXNMVGI-KKSFZXQISA-N 491.532 0.930 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)CO2)C1 1840008214 CBNSJHXWXDLVLR-HOYKHHGWSA-N 492.573 0.773 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(-c4ccccc4)s3)C2)C1 1840042178 FXIMXQMWZTYINJ-QFIPXVFZSA-N 455.492 0.968 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840077935 UDNFLNCDXLXXKD-XMMPIXPASA-N 475.542 0.698 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1)CCO2 1840143812 FLWIEHZLEAIPFO-DHPBMTNMSA-N 477.558 0.281 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCCO3)C2)C1 1840160595 MFEYIFGLHKGVKP-GSHUGGBRSA-N 487.619 0.787 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1)c1ccc(O)cc1 1840222606 VHUAKDZKLLYNKU-HCYUJWNOSA-N 471.554 0.870 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c1 1840550148 FZNRBKIYLYGRDR-NRFANRHFSA-N 465.528 0.072 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(n4)NC(=O)CC5)C3)C2)CCC1 1840813765 UOBIBROEANFRFF-HSZRJFAPSA-N 453.499 0.730 30 20 JCED CCn1c(=O)c(=O)n(CC(=O)NC2(C#N)CCCCC2)c2cc(S(=O)(=O)N(C)C)ccc21 22341224 TYRPEIYPEPSFPC-UHFFFAOYSA-N 461.544 0.776 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)ccc1OC(F)F 489226387 MXKJQYGLLNGIBB-UHFFFAOYSA-N 451.451 0.419 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cccc(F)c3F)c2=O)cn1 517393463 OYZQDZZXDDZLKD-UHFFFAOYSA-N 459.478 0.659 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCN(C)c1ccccc1 522535026 MEVCTAMXXHOYHT-GOSISDBHSA-N 494.621 0.824 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2F)c1=O 604505969 QNUDBKZEEPWWPY-UHFFFAOYSA-N 477.489 0.503 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCNS(C)(=O)=O 608912846 GXHVWGUBHQBZRS-UHFFFAOYSA-N 478.552 0.485 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 614799254 ZJPPJKGKSPOXJB-UHFFFAOYSA-N 478.552 0.524 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccsc3)c2=O)c1 726580211 LPONSJAFFLTBAF-UHFFFAOYSA-N 490.610 0.893 30 20 JCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nc1 915777244 CYVPKZHOBWCATE-UHFFFAOYSA-N 492.945 0.794 30 20 JCED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 916933063 MATQJZQHOMQNKX-CYBMUJFWSA-N 454.443 0.189 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)c1 918241729 LHPGIGXLYVJBKE-MOHJPFBDSA-N 465.576 0.665 30 20 JCED C[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 919316253 ZGDJKXCKFPPRSM-MRXNPFEDSA-N 473.507 0.982 30 20 JCED CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1313828975 VDEJBWBDTZHIRL-NRFANRHFSA-N 462.576 0.666 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CCO1 1315019043 YAPZFVBBUCJEGO-QGZVFWFLSA-N 474.543 0.257 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)c1 1318345548 JOYBEYQLYONUNZ-UHFFFAOYSA-N 458.544 0.619 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2nc(C)nc2C1 1359084536 LAHNFPNEPIPXDE-CYBMUJFWSA-N 487.384 0.440 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cnccn2)CC1 1359151083 MOPMRLUHKPUPEX-HNNXBMFYSA-N 468.971 0.480 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1494919297 SBHKMPXVSOXLLW-IUVQAAGXSA-N 456.569 0.137 30 20 JCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539595210 UHRWIFGAQSLHCJ-CYBMUJFWSA-N 481.355 0.989 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1555194468 OMGLYFWVWXDOHO-IIMDRIAPSA-N 482.607 0.793 30 20 JCED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 1618468470 ZTZXIARSAFVIHH-SIKLNZKXSA-N 474.587 0.809 30 20 JCED CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1618527115 VWCGYDIJYXMULC-UHFFFAOYSA-N 494.600 0.902 30 20 JCED C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1690324394 PQLSVALKJLKXAE-GOSISDBHSA-N 483.616 0.805 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705688715 SYTZUQKHLIAHTK-CYBMUJFWSA-N 484.380 0.676 30 20 JCED CCc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709171915 PQKSRPXOBYAUTM-CJNGLKHVSA-N 462.580 0.972 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1729343103 KXFAVUIEWGVSSP-UHFFFAOYSA-N 481.604 0.180 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1729343560 PMTDGYLRICAVTE-IBGZPJMESA-N 470.559 0.810 30 20 JCED C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 1749246513 KZFXVTMIOJXQKU-HXUWFJFHSA-N 474.587 0.993 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN2CCCO)CC1 1751278742 LKBUVYFVOZUSFB-MOPGFXCFSA-N 495.650 0.588 30 20 JCED CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1767806356 MKFNNCTYINUNSP-KRWDZBQOSA-N 457.560 0.515 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1 1770342635 FAMHLKQXXQUEHC-HKUYNNGSSA-N 460.560 0.910 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nnc3cc(C)nn3c2C)C1 1778555373 DVLAAJGUKALGLW-PMAPCBKXSA-N 454.531 0.907 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1778975100 WNPLUIDZMHQHGG-XXBNENTESA-N 472.579 0.086 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779107899 YNKLACOKNPVOEL-WNGNBXMQSA-N 470.523 0.188 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1 1780346779 WKGQIDJNIWMTDM-VGOFRKELSA-N 462.470 0.126 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C1 1780779509 USYJVFYNFHZWOI-ZVVFGRKBSA-N 481.590 0.814 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781111261 JUOYEKWDXYDYSY-YDSTWLSQSA-N 465.547 0.082 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CCN3C(=O)C=CC3=O)C4)c2c1 1781204221 QHBNHXGCHPZYIR-KBMIEXCESA-N 490.520 0.877 30 20 JCED COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1Br 1781617938 ZWNGAOIWRGMFQZ-LJQANCHMSA-N 451.273 0.989 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](C)n3cnnn3)C2)c1 1782603244 DLURDISHMSIACN-VQPPSCEASA-N 453.503 0.942 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565063 ICUDPLOFPBLAQK-FGZHOGPDSA-N 467.494 0.644 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C[C@@H]21 1784481963 ZXDZWNGBMHIIJN-FKSLSLAPSA-N 477.558 0.931 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1785305733 CCXMEMXIMABQAR-DGGJZMOXSA-N 464.563 0.954 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1785575491 CUEJPCHTZIHSJF-QQZGCWSASA-N 462.547 0.773 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1785598489 SGJXECRBGFFNTA-NPFVIJTESA-N 485.603 0.720 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ncn(C)n4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1785876219 ATZJOZLKUBZXOA-XSLAGTTESA-N 474.562 0.974 30 20 JCED CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787513943 SOPYXEIQRXSIFZ-FJIDUMEYSA-N 495.573 0.763 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1788678188 POSSAANQOFOTAQ-ABKAYFEZSA-N 475.527 0.144 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)c3cccc(Br)c3)[C@H]2C1 1789730496 ZRVOAQXKWJUFDA-FJXLLPKBSA-N 465.300 0.550 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)CO2)C1 1791077956 NWDYKMQBTDIRGN-XSLAGTTESA-N 491.541 0.080 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1791543036 USLJVHAEFWJAJK-DXKRWKNPSA-N 494.552 0.387 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)c2ccccc2C1=O 1793861053 HFUOVJGAIHVNQD-NNNWTRQLSA-N 469.538 0.835 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)C3)CC1 1795412130 FGZCZYQLFMGZFC-CCWDJLKJSA-N 480.974 0.902 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(C)(=O)=O)cc1 1795415858 DVIXMGZCLWWUIZ-SHJAMOMRSA-N 464.584 0.795 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1)[C@H]1SC(=N)NC1=O 1799642162 CULPGSKVQSENIG-SOGIYBJLSA-N 455.540 0.758 30 20 JCED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)C3)c(C#N)c1 1800033865 NLZOEXOTFZXOQV-MUJYYYPQSA-N 462.470 0.187 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)CO2)C1 1800710448 KLHZYQOHTAIMRV-ZJPYXAASSA-N 474.558 0.906 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)C(F)(F)F)c(O)n1 1801033720 GJXZFWIYYMROHQ-FVCICTRLSA-N 470.448 0.788 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnoc1COC)C2 1802126883 NTBIHKLFFQUHIR-HIRMHNASSA-N 476.530 0.941 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1802127527 RFVCFUBULCZSOH-YYAJDYIMSA-N 474.514 0.613 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1804185286 BTYJXAAQRRKJNX-JTSKRJEESA-N 476.493 0.833 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1807025381 AMPXTZXRADRRSW-YVWWCBSTSA-N 466.479 0.284 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812392291 NMBIJBUQTCYJGZ-VQIMIIECSA-N 460.487 0.140 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)nc3cccnn23)[nH]n1 1814437881 LSBCBLKDRSTNKE-HLRDLLSLSA-N 476.497 0.977 30 20 JCED Cc1ccn2c(=O)c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)C#CC(=O)O)CC4)cnc2c1 1818516857 KFUPWPVWLKYZHY-LBPRGKRZSA-N 451.464 0.773 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819901031 AZSSEMSLNXKHSO-IHSVTSGESA-N 469.520 0.649 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1823518464 VIGXCUSZUKXXJJ-ZMSDIMECSA-N 489.577 0.911 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1828029317 BFDXEJXJPQNLJI-ZIAGYGMSSA-N 456.528 0.599 30 20 JCED Cc1ncncc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829154020 FMJAPGXFDPUQSE-VWLOTQADSA-N 491.504 0.939 30 20 JCED CCN(C)[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829241462 HQPLUXYUKIWNPB-CLOONOSVSA-N 484.553 0.867 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1829266564 ACYDMUMSFSGFPG-HSZRJFAPSA-N 465.514 0.405 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1829267415 OZYNPAFJEQXCOT-DNQXCXABSA-N 471.510 0.688 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1829331112 ZADGLPHLAULGOB-RUZDIDTESA-N 492.488 0.474 30 20 JCED CCOCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829403974 OMQNMGNYHXWQIB-DEOSSOPVSA-N 471.510 0.953 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C3)C2)C1 1829667223 XOTFPYDVLKRZMQ-JPYJTQIMSA-N 466.579 0.651 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829717502 GONGIPRLFYBJAU-HSZRJFAPSA-N 474.583 0.442 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)cc(OC)c3F)C2)C1 1829769543 ZARDAWCNPLLHPX-XLQQFJOYSA-N 491.516 0.771 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CS[C@H]3CCCCO3)C2)C1 1829770456 QZUYAHGDPUVNLD-VDCFCKFASA-N 467.588 0.561 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)C1 1829773705 QWIVIOURFYDVLF-IBGSXXPLSA-N 496.608 0.966 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1830300455 OQAIEUKIWJOMID-HKARXFIJSA-N 469.579 0.929 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2)C1 1831088568 JSWKXMZMYLJMJN-IUKKYPGJSA-N 453.580 0.567 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831146114 ZYYINDXNURQSIS-NLFFAJNJSA-N 473.570 0.788 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831181452 JTVYOENNEYTDMH-MMIJAHHVSA-N 463.556 0.858 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209269 UMWMTRDLRBSTLR-MBSDFSHPSA-N 465.547 0.132 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1831387803 KYRIQSIQQGBHEO-HOIFWPIMSA-N 453.536 0.394 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1831421633 NEFJTOIOKZXDJL-VGSWGCGISA-N 481.571 0.287 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1831492535 MILKABFMAZPLQY-NQIIRXRSSA-N 454.637 0.177 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)CCO2 1832353723 IWZJKAHSMUBKHW-QFIPXVFZSA-N 476.917 0.826 30 20 JCED CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1832466131 BGIDTXYBQWDBEN-GHCICMFZSA-N 483.613 0.971 30 20 JCED COc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1832823783 CIGCGCIILQMFCK-HSZRJFAPSA-N 453.499 0.993 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)c(O)n1 1833698695 LWQRACNKRSSWSJ-JOCHJYFZSA-N 477.587 0.993 30 20 JCED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n[nH]1 1833824679 OXZGDFLWBPXKEX-RJGDLVSHSA-N 463.491 0.211 30 20 JCED CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)o1 1833901590 AKCYASLZWBRVST-QHCPKHFHSA-N 479.497 0.872 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(=O)oc2)CCO3)ccc1F 1834597238 ZIGOVFGLHUAEDL-HSZRJFAPSA-N 455.442 0.963 30 20 JCED C=C(C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)NC(=O)OCC)CC2)CC1)C(F)(F)F 1835646197 VUQRAENJXHCSCM-MRXNPFEDSA-N 450.458 0.741 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1837399022 LKGFSBHKFABLBD-WZONZLPQSA-N 457.531 0.681 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1837525893 ABJCSLFFPVELBJ-FLFXYHILSA-N 460.531 1.000 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1837529839 ZQGBJTRLJRBTFZ-UZXXWRCNSA-N 471.514 0.933 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1)c1ccccc1 1837614546 QELQWTWKKPSIQU-GGBSJPMNSA-N 485.581 0.291 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(=O)Nc2cccnc2)CCO3)cc1 1837626173 ACEOCVMKWUEMRY-VWLOTQADSA-N 477.521 0.981 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837677772 DJDYVIMTEQUWME-CJAUYULYSA-N 486.569 0.871 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1838195233 KGDVUTVWGITBGT-RUZDIDTESA-N 470.570 0.916 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)cc4nn[nH]c34)CCO2)C1 1838618190 FTUZEAHFGBCIPM-QFIPXVFZSA-N 489.964 0.963 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(O)nc5)CCO4)C3)c2c1 1838652122 PSAHRSQFEAIJKI-HSZRJFAPSA-N 462.466 0.919 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)C2)cc1 1838949663 OCNJSFIJGXCOPS-SFHVURJKSA-N 473.379 0.983 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cn[nH]c4)C3)C2)c(C#N)c1 1839131628 OKJULAOPNWZYDB-XMMPIXPASA-N 467.526 0.922 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1839176218 BVDOXBYDTFVSBV-JOCHJYFZSA-N 462.503 0.245 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)ccc1F 1839187393 ZQKDQNRMTCWICT-JOCHJYFZSA-N 471.493 0.029 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)N1CCN(C)CC1 1839488844 IAJQKECOIJJKGG-IQGLISFBSA-N 495.584 0.140 30 20 JCED COc1cc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc(OC)c1OC 1839804029 FRRWBNXLXVAMEA-MCCBOCGNSA-N 488.493 0.270 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)[C@@H]2C1 1840009444 IYZXGWMBYMYAIU-XDSPWSPCSA-N 473.570 0.969 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCC4CC4)cc3F)C2)C1 1840043675 NSJYEEHDBAWNIA-QHCPKHFHSA-N 460.458 0.773 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1)c1ccc(O)cc1 1840220235 DNLTYFHMPQNPOC-CYFREDJKSA-N 473.526 0.702 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCOC2)CCO3)c(C#N)c1 1840877047 MINAVLGAOQKMOP-CYFREDJKSA-N 457.527 0.992 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(OCc3ccccc3C#N)c2)c(=O)n1CC(N)=O 517510248 AEPPFNPNYJFYFP-UHFFFAOYSA-N 499.552 0.627 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCc1ccccn1 522383480 XVLLGPOYHZGJBX-UHFFFAOYSA-N 478.530 0.542 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3nc(O)c4c5c(sc4n3)CCCC5)CC2)C1=O 522726603 VVMKZVKYAORIJW-UHFFFAOYSA-N 498.565 0.897 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 523476335 AQKQFZDYFVXMRF-UHFFFAOYSA-N 470.530 0.694 30 20 JCED Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCNS(C)(=O)=O)c1C 590052585 YEDHWZCSPWCWSF-UHFFFAOYSA-N 485.591 0.195 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 590909431 OUHZKFPVTMNJLT-UHFFFAOYSA-N 457.508 0.419 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592993891 ACXSYEMRNLWFPY-UHFFFAOYSA-N 498.540 0.610 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCC(F)(F)F)cc2)c1=O 604472849 JWSNEDXCJUALQV-UHFFFAOYSA-N 494.495 0.721 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O 725764063 HTLSJXFUZIQITD-UHFFFAOYSA-N 492.941 0.870 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1 728503919 FPAFMNQBEMOWIZ-XQNSMLJCSA-N 492.539 0.648 30 20 JCED Cc1ccc(C(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)NCC#N 731184570 JWSCLVFHRSFKKO-UHFFFAOYSA-N 493.586 0.948 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1OCCN1CCOCC1 743936968 JKOXNKPICKVYDH-UHFFFAOYSA-N 458.540 0.753 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)O)c2)c1 746376323 WNKCDVGSRXQLGK-UHFFFAOYSA-N 451.482 0.213 30 20 JCED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 750962345 OLPRVVJYMLNRDG-HSZRJFAPSA-N 499.524 0.997 30 20 JCED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 912685779 YJUOKXKJWCIMFQ-OAHLLOKOSA-N 462.509 0.605 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c3cccs3)CC2)o1 915392505 BRZDLBKAPJAOEF-GFCCVEGCSA-N 467.529 0.475 30 20 JCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc1 915778231 VVVNOYCEEKQREO-UHFFFAOYSA-N 458.500 0.141 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3CCO)c1 918450051 QZEAIFUPKILVBV-CGDDYCGFSA-N 488.570 0.821 30 20 JCED CNS(=O)(=O)c1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 1136146407 XIECQZKDYQPCAF-NSHDSACASA-N 456.571 0.790 30 20 JCED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1303454503 QCELJIOLENYGGJ-KRWDZBQOSA-N 452.519 0.809 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1510176022 GEQZUSFWYPUPLX-CQSZACIVSA-N 458.610 0.843 30 20 JCED CS(=O)(=O)NC[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1642089845 XSCGKXLHBCPREI-XLIONFOSSA-N 451.568 0.796 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1N1CCOCC1 1730762827 MXDSDIUCDXWISB-SFHVURJKSA-N 454.535 0.876 30 20 JCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740743387 VDNMCHROGNLTED-ZDUSSCGKSA-N 461.386 0.998 30 20 JCED Cc1cc(C)n(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)n1 1742723463 YMOXHNRUPQKMCC-XLIONFOSSA-N 480.570 0.957 30 20 JCED CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)N1CCOCC1 1761476983 WCJPCWROHOIDAI-WMZOPIPTSA-N 453.613 0.985 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)ccc21 1777866564 VKDFIIXPANVRFF-YBWSKRLUSA-N 485.541 0.850 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c(C#N)c1 1778853727 HFQLXHHHCXZZAX-QFIPXVFZSA-N 453.503 0.272 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1)c1ccc(O)cc1 1779317271 HVMZDONUEBVYLQ-NIRIFSCTSA-N 471.554 0.870 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)cc(OC)c2)C1 1780090382 KJXGJVWAZIUERZ-YZUZCNPQSA-N 472.542 0.845 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)cc1 1780695420 HIBDLRNUBBWWGQ-OAQYLSRUSA-N 455.496 0.467 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781096810 IRJWSTCZHAJJNE-RLSLOFABSA-N 491.633 0.369 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)=NO2)C1 1783429627 PNIHSFYWXWMKKG-YADHBBJMSA-N 461.519 0.886 30 20 JCED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1)C(F)(F)F 1783685707 FYXZADCVXFIWOG-LJQANCHMSA-N 468.469 0.631 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783990067 LQRHKIPHFPCIFI-QUSNUVHPSA-N 459.609 0.806 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1784483080 ZATASDFWJAWTKV-VKRLORBYSA-N 452.511 0.797 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1785196287 NJPDSLYTJDVHKX-AUSIDOKSSA-N 474.514 0.853 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)nc1 1785376592 WLTZUCGKHLMZRC-HSZRJFAPSA-N 484.534 0.879 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(C)=O)[nH]n3)CCO2)C1 1785572506 LYPNDFXOTVNKCM-MWTRTKDXSA-N 473.530 0.972 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1785729375 ZYUNTWVFUURKRY-KWAHZMDQSA-N 493.605 0.924 30 20 JCED CCc1c(Br)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)nn1C 1787166353 SZSHWODTAFIASE-OBJOEFQTSA-N 467.320 0.426 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1 1787199620 VFKYUFOMRPBONZ-FGVQXAILSA-N 499.446 0.630 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)n5)[C@H]4C3)c2c1 1787439172 IXROQZKCKRWHAM-JDFRZJQESA-N 463.454 0.543 30 20 JCED C[C@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)C(F)(F)F 1788653274 ZWVWGDYYWRVUOM-ADFPHKFISA-N 451.442 0.808 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)[C@H]2C1 1789913461 FLAWRLOVVIZJMM-WLNKUXMVSA-N 479.574 0.688 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=S)NCC)[C@H]2C1 1790575486 UKAIKPUFIOCUKM-FJIDUMEYSA-N 495.646 0.367 30 20 JCED Cc1c(Br)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)nn1C 1791079012 TVHRDMMAFNKXGZ-AVGNSLFASA-N 453.293 0.172 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1791143063 NWJMDIAYMGAXRQ-VABKMULXSA-N 489.569 0.848 30 20 JCED COC(=O)[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21)NC(=O)OC(C)(C)C 1791194802 FHJXYEYEZQCFQD-CWVYHPPDSA-N 473.592 0.741 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1791264095 ZLCNRPWWBVOJDF-ROIMOXLHSA-N 457.593 0.512 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1792267161 POJWWWPBYBCLAK-JCHKBEJOSA-N 492.573 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)OC(C)(C)C 1795337182 JWQLOZCTXSQRSD-XJPXHFRYSA-N 450.536 0.301 30 20 JCED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1796319961 APVFDSHFDPSEDQ-FSDCSDTHSA-N 478.347 0.971 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1797310386 ZPMRDBDNAMKBPY-JRVAAPGDSA-N 471.620 0.902 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1ON=C(c2ccccc2)O1 1797641952 OXSLQZPPXJPJND-NYUBLWNDSA-N 455.515 0.593 30 20 JCED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)ccc2F)no1 1799746908 UWTCHCTTZOVOQO-YVWYUNDQSA-N 455.446 0.627 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(C)C(=O)C(=O)O)cc1C#N 1800262802 BFRQXUBTMAFJEV-XEMDLRDOSA-N 472.498 0.092 30 20 JCED C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C)C2 1800754248 KZKIJOMGFJVBNN-JDCPMNFLSA-N 486.569 0.964 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801050780 HWNMMUDZOQGNDB-HVRFAWQISA-N 467.563 0.539 30 20 JCED O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1802105237 HHNRPWZVVDDDSA-SIECIHOSSA-N 450.542 0.148 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1802126831 NBYVDLPMNGUHDE-XGUBFFRZSA-N 476.490 0.438 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c(O)n1 1805143233 UGRKZLBSOMUURJ-GBXCKJPGSA-N 497.596 0.907 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813172397 KVYMLAVSJSLWBM-LAUBAEHRSA-N 452.515 0.294 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828522750 OXEIWMKGDHYSAC-ZHIQAQTNSA-N 484.509 0.461 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828804858 YHFQWNAMFREKQJ-HXOBKFHXSA-N 455.515 0.864 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)CC1 1829332269 GXALNUQJKUFRIT-XMMPIXPASA-N 464.478 0.830 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(C)(C)C)n3)C2)C1 1829764756 UXTGDQJLLMKYOV-FUMRIQNTSA-N 459.547 0.567 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)C1 1830715197 ZNUGAXPLUVGYFX-FOUBCARRSA-N 453.536 0.833 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)C1 1830716109 UYUAQRDQGQLJDF-MBUVFEDWSA-N 481.546 0.561 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2)c1ccc(O)cc1 1831022854 CXJSMVVCZWDADY-NBGIEHNGSA-N 485.537 0.798 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c(C)c3Br)C2)C1 1831396835 LSXNSIKZLDQBCL-YWZLYKJASA-N 483.363 0.599 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831446310 GRLFRBCOLOLDCJ-JOCHJYFZSA-N 461.540 0.729 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1831494384 XOAPAZPZTYFUQQ-NQIIRXRSSA-N 461.544 0.114 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)CCO2 1832541229 VVMXWARBKCZCCY-HSZRJFAPSA-N 454.483 0.433 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccc3sccc3c1=O)CCO2 1832891139 HMJVZWCMQIYRSX-QHCPKHFHSA-N 455.536 0.933 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4cccs4)CCO3)C2)c1 1833031789 QDFVVPIEUKTASK-NRFANRHFSA-N 457.512 0.448 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)CC2)CC1 1833463469 LTUMCTOKPSHLCP-QGZVFWFLSA-N 476.599 0.709 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1833566668 PCDKRCIGCGNYPP-QFIPXVFZSA-N 476.555 0.390 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833883043 JQHBGQCLPBIIAV-GAJHUEQPSA-N 492.577 0.745 30 20 JCED Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)C#Cc4ccccc4)CC3)CC2)c(=O)nc1O 1834518417 JINNZKVHBAXLAA-UHFFFAOYSA-N 477.565 0.881 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCS(=O)(=O)c4ccccc4)CCO3)C2)CC1 1835145011 NZJVVQJGFGMRBI-JOCHJYFZSA-N 461.540 0.611 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)NC(=O)OC(C)(C)C 1835439141 BREVLCGJXOZBIY-HXOBKFHXSA-N 482.578 0.391 30 20 JCED CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835769013 KCJTVCJGPDVHSX-HUXSYLCKSA-N 482.651 0.571 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836099737 CKIJCVJJMDNJFX-WAYWQWQTSA-N 493.568 0.133 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1837441051 OTJJEDDCYHUDAP-OGCGYOKDSA-N 499.547 0.948 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1837529944 HCHIKZGXBRCELO-QNRXVKNXSA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1837530261 KEAUJOBYVBAQCB-ZZTJDXDDSA-N 461.515 0.920 30 20 JCED COC1(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CCC1 1837532319 BFWZVXHROHVRNW-PHPQDFSTSA-N 453.536 0.931 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nn1 1837566822 NWNWJQFFWNIREL-HPARJBSBSA-N 457.487 0.657 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837756293 WQBUEKFXKWMNDY-HSZRJFAPSA-N 462.547 0.978 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c1 1837842278 WUDFMAKVZRNRMT-NRFANRHFSA-N 471.558 0.772 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4cccnn4n2)CCO3)c(C#N)c1 1838426744 CPDBWEFXXYXNSX-VWLOTQADSA-N 490.520 0.922 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)nc2ccccc21 1838737127 JOYATTPWKXNFMG-XMMPIXPASA-N 476.493 0.517 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1839173323 KCHQUMKVDQHQJS-VWLOTQADSA-N 487.553 0.724 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1839847200 YKLVPYOBFVVEMB-HKARXFIJSA-N 482.578 0.424 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1840108170 ACSJFEOEYVVTSY-RHGYRFJNSA-N 494.589 0.438 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC=CC[C@@H]1C(=O)OC)CCO2 1840140401 YKYJUQYRLCCVOG-VOMXWEQNSA-N 475.542 0.057 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1)c1ccc(O)cc1 1840220672 XRAKOCQEMBXUHX-FDDCHVKYSA-N 458.515 0.014 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc([C@@H](C)C#N)c2)CCO3)CC1 1840714996 OAPOJIWEKSGADS-FNZWTVRRSA-N 497.596 0.548 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1840805920 IQKQTNBINYGOSS-RUZDIDTESA-N 492.617 0.799 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840820043 VGMQLCJCKBGJMJ-IBLIISRWSA-N 468.510 0.228 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C4CC(=O)C4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1840834873 LGADZWSHMSSDBJ-YADARESESA-N 477.558 0.988 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C2)C1 1840843417 PDNGQEHWHYMZBF-MIOZMULLSA-N 491.585 0.881 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)[nH]n3)C2)C1 1840909480 UCBWZGNOLWDEEX-KOSHJBKYSA-N 489.573 0.959 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)c1 1843154278 SUYFDCXNPVCLGR-UHFFFAOYSA-N 460.498 0.896 30 20 JCED C#CCCC(=O)N1CC2(CCCN2C(=O)c2ncn3c2CNS(=O)(=O)c2ccccc2-3)C1 1844623819 HUROBMWWWTWFSG-UHFFFAOYSA-N 453.524 0.895 30 20 JCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C1 1847101040 ALHRGKSNSTZNGI-UONOGXRCSA-N 457.597 0.850 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1847803021 COELEXNOJJVXCE-NCOADZHNSA-N 451.520 0.683 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 31917056 DXEQXFKMLWEZRW-UHFFFAOYSA-N 462.532 0.396 30 20 JCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 514480327 RAFOVLATJGINHJ-IYBDPMFKSA-N 479.559 0.394 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc3c(c2)CCO3)c1=O 603987501 MNEMOGSHXXUQPJ-MRXNPFEDSA-N 471.579 0.925 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(=O)N(C)C 604270221 UFJQXORRHHGKKZ-UHFFFAOYSA-N 477.384 0.788 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(=O)N(C)C 604270489 SOAGSBJPVASHJI-UHFFFAOYSA-N 483.015 0.759 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(C(N)=O)cc3)c2=O)c1 608828937 SIEDQLLPQPFJOT-UHFFFAOYSA-N 492.557 0.662 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O 608912599 XAVDUXXLPFDRMV-UHFFFAOYSA-N 488.953 0.382 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(Cl)s2)c1=O 608912647 RRHWMJSVQOJFMT-UHFFFAOYSA-N 487.028 0.299 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 726159716 PJKQURILOPWTIT-PGMHBOJBSA-N 454.534 0.372 30 20 JCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(C2CCN(C3CC3)CC2)C1=O 726403784 NDDDOXPVNZIGFZ-GOTYSUTNSA-N 479.628 0.897 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 728534705 QPZKQZWBXLGPKY-SFHVURJKSA-N 461.360 0.947 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)N1CCSCC1 730550672 CGNOCMZBAVKVTJ-UHFFFAOYSA-N 460.603 0.000 30 20 JCED COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 745534916 HWQCCGZSDCHQHV-WJDWOHSUSA-N 467.525 0.638 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NCc2ccc(C#N)cc2)c1 746554671 IVLIHONZFWTCPD-UHFFFAOYSA-N 460.512 0.610 30 20 JCED C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 769773585 GXHUFBOOMSXYIK-OAQYLSRUSA-N 455.496 0.811 30 20 JCED CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)C1 913174164 XTKRZCSVLUJZRB-ZBFHGGJFSA-N 451.501 0.570 30 20 JCED CNS(=O)(=O)c1ccc(CCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915378193 FRYTVIIISFXVBU-UHFFFAOYSA-N 475.527 0.587 30 20 JCED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 916198089 CAEHTIBBQAZNLC-UHFFFAOYSA-N 499.545 0.994 30 20 JCED Cc1c(NC(=O)[C@H](C#N)C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(=O)n(-c2ccccc2)n1C 916960967 KFIBAGLHPJLZGY-QHOFPYNOSA-N 473.489 0.939 30 20 JCED CCOC(=O)c1ccc(N2CC(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 1154073178 PWVHWUAYEWXNMZ-UHFFFAOYSA-N 457.512 0.692 30 20 JCED CCN1CCC(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1296024723 HGHOFXAJUNEDKG-RTBURBONSA-N 481.623 0.462 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C(C)C)N1CCOCC1 1360240856 RPRREFUJDROOTR-PMACEKPBSA-N 458.611 0.950 30 20 JCED CCCN(CC)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1547121312 PPMALZPUABBBMO-SJORKVTESA-N 455.585 0.072 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CCO1 1741104808 OEYWLLIGYMEUMU-HXUWFJFHSA-N 472.571 0.983 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCNC(=O)c3cc[nH]n3)CC2)c1C#N 1762400272 PAWFJNQZAFEHOQ-UHFFFAOYSA-N 465.566 0.969 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2Cc2cccc(CO)c2)C1 1770349235 OHPGXQJLQKBJDG-LJQANCHMSA-N 460.560 0.892 30 20 JCED CS(=O)(=O)NCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 1771369918 UJTDGIJPPHFHFT-UHFFFAOYSA-N 486.646 0.932 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)ccc21 1777865929 DHVMDMBYRUYZEZ-LPHATQMZSA-N 468.558 0.792 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)cc1 1778383261 JUJYPLOPQWSPOU-DEOSSOPVSA-N 462.510 0.840 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#Cc2ccccc2)C3)CC1 1778907776 ILZXQPIDWWMLIL-ZEQKJWHPSA-N 466.582 0.716 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn2[nH]cnc(=O)c12 1779066350 RRPSFUQLMCNZGY-XMMPIXPASA-N 467.526 0.473 30 20 JCED Cn1c(=O)n(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c2ccccc21 1779100853 FBIZAFLSTPNJGS-ZTBZRGNBSA-N 485.541 0.699 30 20 JCED NC(=O)c1ncccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779358815 FWKJAWRLEPCDIV-ONVJNLTESA-N 456.547 0.780 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780179563 CTFOYMQWJJBWGC-YZZKKUAISA-N 475.546 0.899 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780935029 HNJLQOLFSOVGMV-UZLBHIALSA-N 452.602 0.676 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@H](O)N3CCOCC3)C4)c2c1 1781204859 PLRIHORRDTWETD-WNOPAQSVSA-N 482.541 0.213 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781247395 IQHKGRYJYWGYPR-STSQHVNTSA-N 464.563 0.648 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963588 JUVREQRVOXSZFX-SIKLNZKXSA-N 461.446 0.636 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(n4ccnc4)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1782862016 NUPPKHXOYGWUSB-XZOQPEGZSA-N 457.531 0.682 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 1783267875 GMILTJZDUZESCC-VXQVSLNISA-N 490.601 0.943 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783466609 WORAAPVMGBDCAA-PBNUPURSSA-N 461.515 0.551 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)c1ccc(O)cc1 1784011999 BNYDRLROVKJKHC-NIRIFSCTSA-N 471.554 0.870 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)N(C(=O)OC(C)(C)C)C1 1784089043 WXBQKKJBFGSLTQ-YTZAWJCFSA-N 476.574 0.908 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C[C@@H]21 1784482107 ARXSIBSKDDORGQ-OAOQPFQOSA-N 458.540 0.757 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678272 WBOLCELZXJREIE-UQGVDKHISA-N 478.546 0.564 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)n3nc(C)ccc3=O)[C@H]2C1 1788729478 IDCIKKNNLGRYKU-QVXDMJTASA-N 471.558 0.125 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1789808682 OSJXAAJUQIBGAN-JZCOGDJRSA-N 479.574 0.232 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1792184076 DJKVOZVKYFRAKE-VWEZQDLNSA-N 452.552 0.800 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccnn3)C[C@@H]21 1792257311 SVENLHCSTYFLNM-BCYZHJNNSA-N 474.562 0.735 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)cc1 1792423013 NLLVJSDDGUBEHZ-OPMZPASUSA-N 452.471 0.885 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(N3CCOCC3)cn2)c1 1794442314 RDMNYSMFNLILJO-UPHUGPLXSA-N 450.499 0.635 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796358848 QNCPJYLVCSUAJW-UMPJEAMMSA-N 475.502 0.008 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C 1796393107 PRGFNKOXUOPAMI-CWQOZTLDSA-N 469.579 0.689 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1797742164 HPBIWSKKQKENAA-IUCMUBOISA-N 454.531 0.730 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798487142 NIJLKXLHLNYWEX-BEZXDORVSA-N 492.617 0.972 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C4)c2c1 1799883186 SZQDBVRDXKVVLP-GNXNZQSNSA-N 483.378 0.993 30 20 JCED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1800110046 HPYWRQYYUGUPHL-YVSFHVDLSA-N 480.562 0.903 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C)c1=O)C2 1802125268 RRQSYYKKXDMSIX-NBMJBFSESA-N 472.542 0.505 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C 1802159538 CKCOPCNPJCXIFE-AJYBTWMASA-N 493.605 0.721 30 20 JCED CN1CCCn2nc(C(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)cc2C1 1812288346 XERWVULDODBOCC-JTSKRJEESA-N 450.499 0.521 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1812495515 XDSAGBBEIMDLEZ-CEXWTWQISA-N 461.588 0.946 30 20 JCED O=C(CN(CCO)CCO)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1812715811 YWMKGIZWFUHKKE-HQGJICSSSA-N 457.531 0.086 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)c(=O)nc1O 1814041505 VFCUGCWLBNGSEQ-KEYMTZHKSA-N 481.557 0.830 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN(CCO)CCO)n[nH]2)c1 1822026359 HSOZVKACABOBQV-FQEVSTJZSA-N 470.530 0.882 30 20 JCED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC3)c1 1823664514 ICPODZCEYZDSKC-HZMBPMFUSA-N 456.459 0.978 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1828287180 YRHJNIALNGOSIJ-VRKREXBASA-N 477.587 0.695 30 20 JCED CC[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828540043 WMFUTXNZFCHACD-WZONZLPQSA-N 457.483 0.297 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=N)N)CCN2C(=O)OCc1ccccc1 1828969571 IHNCLPVBWSTCSX-JOCHJYFZSA-N 455.519 0.225 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CC[C@@H](N)C(N)=O)CCN2C(=O)OCc1ccccc1 1828990084 MDHSNESYNJPKFG-NTKDMRAZSA-N 471.558 0.607 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 1829266935 HACRATLJNLRZOO-QHCPKHFHSA-N 450.499 0.754 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cc3OC)C2)C1 1829769474 UYTQBGDSUJBIAW-IBLIISRWSA-N 473.526 0.632 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[S@](=O)c3ccccc3)C2)C1 1829771229 MURFQFABJADBGB-MSGLFOSKSA-N 489.594 0.498 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)[C@@H](O)C1 1830049433 DWSKMCFWDFVBCF-XFAGBWLFSA-N 494.589 0.610 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1830468569 OCHAFNFLBCECBD-QFIPXVFZSA-N 472.885 0.663 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC[C@@H](C(=O)OCC)C3)CCO2)C1 1830699951 ZCSAPVIAEMECAC-KTIHBUSBSA-N 464.559 0.851 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)C(C)C)CCO2)C1 1830878428 ZEPVGSBVJBOLHE-MCJPXMOYSA-N 481.590 0.929 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)NC(=O)CC)CCO3)c(O)n1 1831179293 HUTPZECFZWGFPE-MZNJEOGPSA-N 474.558 0.891 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc(Cl)c3OC)C2)C1 1831397488 RSDJNBJCVBNWMZ-QVKFZJNVSA-N 451.907 0.852 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831420962 AVQHOLRIGROVCO-NTKDMRAZSA-N 474.558 0.579 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C)CCO2 1831723399 MTHPABJOGZTPCJ-FSTVOOFJSA-N 487.619 0.786 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1831758736 OAPMGNDJSLQAAQ-KSFYIVLOSA-N 463.535 0.949 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832208774 YQUKWSOSESPVCH-JJDHCWFKSA-N 466.498 0.600 30 20 JCED COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1832579446 RHBQRFHQIJESDH-QHCPKHFHSA-N 453.499 0.993 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)c1 1832877969 QCBYGULBHSWDOX-XMMPIXPASA-N 483.500 0.916 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833027403 CVXBURZGQDKGSB-BXKMTCNYSA-N 472.542 0.643 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833479830 YGESLONGNXGGRI-HSZRJFAPSA-N 468.466 0.106 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833833389 RJMKRMKCTWTLLL-IAGOWNOFSA-N 485.585 0.603 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc(OC)c1)CCO2 1835027114 KFPWVADVXGACSH-IBLIISRWSA-N 457.527 0.553 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835364616 BBTZHMWEBCMTIE-NFBKMPQASA-N 460.506 0.633 30 20 JCED CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1835435948 XNQYGGFUSXOGRU-FQEVSTJZSA-N 479.331 0.479 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1835682956 ZQJLHGYNYWVXPH-YZYNAAERSA-N 495.580 0.635 30 20 JCED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1)C(=O)O 1835760982 IJYNUASYNYZYIO-GCJKJVERSA-N 467.639 0.557 30 20 JCED CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)C(=O)O 1835767671 LHMDREMWJYSAFL-DDCMRGNDSA-N 467.567 0.150 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)CCO2 1836260201 VUWWJIJPFUTLNO-DEOSSOPVSA-N 467.526 0.363 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(NC(C)=O)cc3)CCO2)C1 1836662034 OAOAUURPQQSTAS-HOYKHHGWSA-N 457.527 0.682 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836764119 CDDIRAHPJQOUEZ-QPPBQGQZSA-N 462.591 0.375 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837397620 YFVNIXRKIBDGFH-TYBLODHISA-N 457.571 0.730 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1837531754 VYZUGLNXGYENJZ-XNTKYKATSA-N 498.540 0.866 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533213 LGGQSKRIINRKBP-QVJNVZBHSA-N 477.562 0.565 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2 1838327600 YRIHMJXHRCOTPL-HSZRJFAPSA-N 487.633 0.697 30 20 JCED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)CN(CCO)CCO)CC3)CC2)ccc1F 1838646400 SUKXADWHDZYLJK-UHFFFAOYSA-N 490.576 0.525 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H]5CCNC(=O)C5)C4)C3)c2c1 1839489174 OUSSDHLNEXUEQF-MWTRTKDXSA-N 466.498 0.031 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H]5CCCS5(=O)=O)C4)C3)c2c1 1839489201 RPZKPQAUKIKYCN-GCJKJVERSA-N 487.538 0.082 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc4c(c2)CCNCC4)CCO3)cc1 1839692121 DNJJDAWFNPVYIY-HHHXNRCGSA-N 489.576 0.954 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839894075 HPMINYDBJANOCH-FZKQIMNGSA-N 467.441 0.404 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3N3CCCCC3)C2)C1 1840043663 NGSCJLYLDSRIJT-XMMPIXPASA-N 455.511 0.835 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1840163604 VXUDDMSJSYYNEE-YWZLYKJASA-N 461.581 0.302 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840772647 YPEIASMLVVEDSQ-XXBNENTESA-N 498.573 0.872 30 20 JCED Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)c(=O)nc1O 1840808026 GEQGNDWWQZYMIY-XMMPIXPASA-N 481.509 0.094 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1841601239 IKNSHSAZURULSM-INIZCTEOSA-N 483.550 0.520 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)CS(C)(=O)=O)C2)CC1 1842779640 HLCBHFFKTWZUID-UHFFFAOYSA-N 468.576 0.775 30 20 JCED COCCN1C(=O)/C(=C(/Nc2c(C#N)cnn2-c2ccccc2)[C@H](F)C(=O)OC)C(=O)NC1=S 10384374 ADFALZZMYYPSKB-IDTYTIONSA-N 486.485 0.811 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2C2CCN(C)CC2)CC1 516371626 HGVBOEPXMFYQFS-UHFFFAOYSA-N 466.611 0.239 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(OC)ccc1OC 522534598 BIXIPRUGGBFIQW-UHFFFAOYSA-N 483.550 0.305 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CC(=O)N(C)C 604269792 CDWBRDRVLXZDDN-UHFFFAOYSA-N 474.608 0.376 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 608892888 GVFGVSBALYZXEJ-UHFFFAOYSA-N 465.495 0.611 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1cnn(CC)c1 726180387 HVFCQCVJVLUAIE-UHFFFAOYSA-N 451.556 0.872 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccc(OC)nc2)C1=O 726404477 YMPYETZQIFRYOR-XGTYDZQNSA-N 477.568 0.874 30 20 JCED COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 726726621 SPYZUBTXPSPBMT-ADSWHHSESA-N 465.532 0.785 30 20 JCED C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 731130059 HXBOMQWLMUHULA-AWEZNQCLSA-N 458.496 0.689 30 20 JCED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)Cc3cccc(C#N)c3)C2=O)cc1 750414055 HOKBPHCHYVJXRS-OAQYLSRUSA-N 456.480 0.980 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 891292873 CVXLYPUPNUSFBT-CYBMUJFWSA-N 455.489 0.460 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C 918823580 IUKZYPMBKCLVSC-HIFRSBDPSA-N 452.533 0.276 30 20 JCED CCCN(CCC)S(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 1307746310 POOMPULAWKZBDI-FQEVSTJZSA-N 456.657 0.663 30 20 JCED CN1CCC2(CCN(c3nnc(COc4ccc(C#N)cc4)n3CCNS(C)(=O)=O)CC2)C1=O 1314929000 RUDBXYLLFJHRAY-UHFFFAOYSA-N 487.586 0.727 30 20 JCED N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1316541290 VUQJEUORACTGKV-VQIMIIECSA-N 467.935 0.789 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CCO)CCN1CCOCC1 1466187647 MNXNDDMGCXHESF-SFHVURJKSA-N 452.577 0.293 30 20 JCED N#Cc1c(Br)cccc1OCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1472498586 ZRRSJOJRBLGVQI-GJZGRUSLSA-N 458.334 0.002 30 20 JCED CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1503293367 WGTLHAPONZXMBN-JGCGQSQUSA-N 455.588 0.986 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507868850 PEMMUXIQMAWVSW-STQMWFEESA-N 455.990 0.233 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1=O 1555575786 OUZBZPJUYPIVDR-WMZOPIPTSA-N 451.531 0.979 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1696593028 RFGQPLPASRJQLK-UHFFFAOYSA-N 466.546 0.869 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1710269348 URIBIAKZUCJCNF-GUDVDZBRSA-N 482.655 0.233 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)[C@H](C)C1 1741055768 QOKFYWJLZJOEIA-QGZVFWFLSA-N 487.586 0.821 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCCCC1=O 1751227975 MSAGJBBTAXDDFS-WMZOPIPTSA-N 478.623 0.467 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779365864 SOCODMJOKKWESP-GERDLCKQSA-N 451.568 0.123 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)ON=C(C)C)C2 1779405031 PSALVCAXZKFPTO-TWSMVNEUSA-N 469.535 0.796 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1 1781681992 JGBYFWRJBQRBLI-AUSIDOKSSA-N 476.551 0.625 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1783173176 LNPSLLNSZUZMKI-BUXKBTBVSA-N 453.421 0.940 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783440412 FUNVUWGJGAKOKC-SEVLPDGMSA-N 476.599 0.798 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1783900502 IBAOUZVMYNHMPA-WCJKSRRJSA-N 486.635 0.896 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089896 JBYGKOULGNSIIC-JTSKRJEESA-N 460.535 0.674 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090766 XNCCCARLVWFBLQ-CPJSRVTESA-N 491.633 0.629 30 20 JCED O=C(CCN1C(=O)Cc2ccccc2C1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1784164332 ZVMDQVISYXPBGO-BVSLBCMMSA-N 463.534 0.995 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CSc4nc[nH]n4)C3)C2)c(C#N)c1 1784394000 VPYCKOVDBGPXOV-OAQYLSRUSA-N 456.528 0.850 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1784784476 BQLIOAVFSKCBSR-BURNTYAHSA-N 493.649 0.683 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1784786699 YMHPMQCXIODRPY-ZFORQUDYSA-N 496.605 0.086 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)NC(=O)OC(C)(C)C 1785307765 IWIYQYVRPYQRBU-VGOFRKELSA-N 462.551 0.968 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]3C2)c1 1786788299 HHKOHZXNHZLZCJ-FHWLQOOXSA-N 464.459 0.195 30 20 JCED COc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)c1OC 1789411081 VJAJXFQQZQVHKV-BQFCYCMXSA-N 459.547 0.974 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1790586340 KTHRFBBYGAYOAZ-HUOSVMEWSA-N 470.574 0.651 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3C[C@H]3N1C(=O)OC(C)(C)C)C2 1792491478 YITOCONHOZLSFJ-KNRURIEGSA-N 488.585 0.832 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793084835 RDTYXJJNVZLFHB-NQTNZXEBSA-N 481.594 0.323 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(Br)nn3c1)C2 1793342334 DEHFFOABWQNGOK-FAYQHZLMSA-N 476.331 0.733 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)C2 1793360051 FQQOAJHLMLARAK-GVJYWCCQSA-N 481.590 0.928 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C 1793629136 PEWOXHSPNAOHKM-YWBVRPMESA-N 462.547 0.444 30 20 JCED Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C3)n1 1794593929 OFANJQBOPSMILQ-LXTVHRRPSA-N 482.607 0.620 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795969422 ZZAWMUAOBOOKIR-SHJAMOMRSA-N 498.584 0.342 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2)[C@H]1SC(=N)NC1=O 1796430114 ZWIAFPWQRAJYJJ-SOGIYBJLSA-N 455.540 0.758 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C[C@H]1CCOC1)NC(=O)OC(C)(C)C 1796448838 PCEHMMFSIFROLB-HUJIQXBTSA-N 493.601 0.934 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)cc2)[C@@H](O)C1 1798921057 ARPPRSFTOXIFFO-SSTJLMRISA-N 484.553 0.989 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1799322894 RQZRPRDTWYCBSR-SFNKJDCFSA-N 462.551 0.727 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1799354111 SSDYITHVMJCTPW-RCLSDMTESA-N 493.601 0.550 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC(F)(F)C1 1800778120 BHIQPYGPXVAQBE-ZXFNITATSA-N 485.484 0.556 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)N2CCOCC2)C3)cc1C#N 1801848863 CUUAYXHNRDXBLY-QRICJDHISA-N 472.542 0.199 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2)NC(=O)OC(C)(C)C 1801929800 HHOAEJSNWFYINS-KAUDDPROSA-N 478.590 0.962 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1)C(C)(C)S 1802924426 HOZWSRGCDKDOMP-OWCLPIDISA-N 482.603 1.000 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H]1c1cccnc1 1803547828 QJNOSLPAKFAAJL-DUXKGJEZSA-N 476.599 0.797 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC4(CCCN(C(=O)CN5C(=O)CNC5=O)C4)CC3)c2c1 1806591185 XKDQHOSXXDXMLK-UHFFFAOYSA-N 463.498 0.831 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2nc[nH]c2[N+](=O)[O-])[C@@H]1c1cccnc1 1808362231 BAPUTZCOVAKMBD-RVBASHTNSA-N 453.459 0.891 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)COc2ccccc2C#N)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812393415 JXZGBIZJDXGUFQ-XMSQKQJNSA-N 479.493 0.581 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C(O)O)[C@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1813164770 ZWGNOTLWQSUUCP-BZSNNMDCSA-N 460.531 0.964 30 20 JCED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1815207113 QSECYOLFICGFBX-OAHLLOKOSA-N 455.479 0.824 30 20 JCED COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1820191386 HGYQSZAFLFADSA-ONSUUJDVSA-N 467.548 0.735 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828525295 OEGLIXZYCOYADE-GAJHUEQPSA-N 476.530 0.550 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCN2C(=O)OCc1ccccc1 1828632268 IGJXUHRMQJTXMS-QHCPKHFHSA-N 480.481 0.877 30 20 JCED Cn1cc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cn1 1828712267 XBBHFYIBONAWKH-XMMPIXPASA-N 479.493 0.574 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828923174 UCECJJOKKPALGS-QFIPXVFZSA-N 466.502 0.429 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990059 LTUPKSKBYBYCRP-CLOONOSVSA-N 498.584 0.581 30 20 JCED O=C1C[C@@H](C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)CN1 1829306665 WSPCFEONWMSYKR-QFQXNSOFSA-N 478.549 0.988 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c(C)cccc34)C2)C1 1829771876 YRPXGYURLRJXRQ-WEHRJKGCSA-N 467.526 0.800 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5cccnc5n4)C3)C2)cc1 1829903572 YIRUPWOHNUEARC-XMMPIXPASA-N 460.494 0.914 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1830641998 JPDXCKSIODDHSR-DEOSSOPVSA-N 462.591 0.375 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830673944 BPPMUDZJMRSVOD-ODESFVKMSA-N 469.538 0.354 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CCO2 1830887255 VKNJUZVOZWDLQI-QHCPKHFHSA-N 485.578 0.577 30 20 JCED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(=O)c1ccccc1 1831148027 RDVRLCCIIVWINI-JRCVBZDQSA-N 482.537 0.927 30 20 JCED CCOc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cnc2c1cnn2C 1831215759 TZXSQDPLLCFTJA-XMMPIXPASA-N 467.526 0.850 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)C2)C1 1831387438 HWHZABZRMDVNEO-PDGNJTGUSA-N 491.585 0.879 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2)c1cccs1 1831733765 TXTHPLZBBOHCGB-YEFOHOTDSA-N 458.496 0.753 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1831997802 GGMZJSWPWFLMTE-YADARESESA-N 489.573 0.945 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832208773 YQUKWSOSESPVCH-AMFJNGDOSA-N 466.498 0.600 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1832692596 XXNIYLZKQFSXID-VGOFRKELSA-N 478.622 0.092 30 20 JCED Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1833039886 YWVANYYNEQPPEW-DEOSSOPVSA-N 458.559 0.655 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cncc(S(C)(=O)=O)c3)CC2)CC1 1833463629 RGLNJWPZAQHRLN-KRWDZBQOSA-N 476.599 0.709 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1 1835183800 HYSPGJMGWUTKGW-JOCHJYFZSA-N 463.556 0.775 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835492057 SUXLOOVYHMTGIA-IBLIISRWSA-N 480.525 0.196 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@]3(C1)CN(C(=O)C(C)(C)NCCC#N)CCO3)CCC2 1835682636 OIKGJEBIFQLZKP-QHCPKHFHSA-N 458.563 0.261 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)cc1 1836121690 MWNRUNBTBYZMLD-XMMPIXPASA-N 466.494 0.580 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836888530 BSERMDIDOPFEAJ-WVBYBHFTSA-N 472.502 0.328 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1837390811 DCFCEXVGMDLEGG-XXBNENTESA-N 480.583 0.733 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1837393535 UPQCIJIWJFJGQX-NBGIEHNGSA-N 473.570 0.788 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440520 MBVYXUQEBJSYOC-JHBFYXRHSA-N 481.594 0.828 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1837443492 CGTSNKVWFARMRZ-RWOVVYLESA-N 454.531 0.876 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)o1 1837452974 PFBBSIAUAVHLGQ-IRCLMUFRSA-N 478.502 0.837 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CS[C@@H]1CCCCO1)CCO2 1837502564 XJMQOVOUVWIWQZ-VEYQWQAPSA-N 467.588 0.561 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837518828 RLMDZTILSCLLLW-GGAORHGYSA-N 481.666 0.145 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)N1CSCSC1 1837570683 WELCHNMIXIXIRR-UTKZUKDTSA-N 485.676 0.768 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3c[nH]nc3cc1Br)CCO2 1838524463 MXQYCWLJKGKEJG-FQEVSTJZSA-N 491.298 0.483 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(C#N)c5)CCO4)C3)(C1)C2 1838908853 YJKORSGBLDSYLS-VHYCJAOWSA-N 453.495 0.972 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)cc1 1838951541 VDRLJRPTBLRWEL-LJQANCHMSA-N 455.389 0.734 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)c(C#N)c1 1839132795 QYIKSLHBWQTCSX-RUZDIDTESA-N 490.520 0.922 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)ccc1F 1839185490 CWENIJQQYJVRJG-UZUQRXQVSA-N 458.490 0.222 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839185630 GNVHAZHHWMCDQH-LYXWCMDISA-N 496.605 0.025 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1839185877 PDZZZPQPPCCQHB-MBSDFSHPSA-N 482.578 0.438 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)nn1 1839187551 IZLNVSSKGJVPLQ-HSZRJFAPSA-N 469.473 0.809 30 20 JCED C[C@@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401066 OJAKVQNSXYMPDL-VBKZILBWSA-N 465.348 0.986 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2)C(=O)O 1839442879 GVBAVOIYBPNWTG-DYESRHJHSA-N 498.458 0.710 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839451251 IHRKBGMJUKZWSG-HSZRJFAPSA-N 453.499 0.993 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630060 DXTZNCYBDPFVSU-IRCLMUFRSA-N 472.502 0.557 30 20 JCED O=Cc1ccccc1-c1cncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044560 LQPSVVXFBDQZJQ-RUZDIDTESA-N 477.473 0.719 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840289947 RGRHRHRCUDFQHJ-ZHRRBRCNSA-N 464.519 0.673 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)cc1C#N 1840762919 WQEHRXPBGYFMPJ-CLOONOSVSA-N 484.553 0.942 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840902319 JVPZVZHEEAZSRT-BXKMTCNYSA-N 465.510 0.775 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1840908598 CKUZRNGZDKQDQI-NLFFAJNJSA-N 486.569 0.997 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC4(CCCN4C(=O)CCC#N)C3)c2n1 1842814337 HJZFVWRFQJRQOE-UHFFFAOYSA-N 454.491 0.634 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 523255623 ACEMJBUOUOHRBF-UHFFFAOYSA-N 493.501 0.172 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(C(N)=O)cc1 608828472 WDOQOIKEWKDVQY-UHFFFAOYSA-N 475.486 0.711 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)nnc12 613787665 XHFHPTLERAJKLF-UHFFFAOYSA-N 495.565 0.272 30 20 JCED C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 726294588 VHGXAZQFWVTQEO-VKWHMPGMSA-N 451.549 0.275 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)CC1 728534418 LEKBAPLHVDKDLW-SFHVURJKSA-N 498.609 0.484 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCS(C)(=O)=O 729672022 ZODBDLBADFIYOH-UHFFFAOYSA-N 499.561 0.278 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2F)n(CCS(C)(=O)=O)c1=O 729672825 KATTVBWSQKOCAK-UHFFFAOYSA-N 460.512 0.213 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(I)ccc1-n1cnnn1 889092333 AEHDAFNUIAVCOL-SECBINFHSA-N 470.227 0.824 30 20 JCED CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)CC1 915785176 QEVGGGLYHKJFCE-UHFFFAOYSA-N 471.543 0.056 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1CCOC 916198430 LYLAMYXIPDRAJG-UHFFFAOYSA-N 480.930 0.774 30 20 JCED CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918278947 JTNYTKLXOZIDMX-OZWUBDKWSA-N 451.549 0.859 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 918297138 FCWNTNBZZFDHNH-VUSLFOADSA-N 491.570 0.288 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 918597829 OKIWBXQTZOJWFJ-GOSISDBHSA-N 485.566 0.671 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1149507976 JTIHQVOCXVXJIO-UHFFFAOYSA-N 455.540 0.887 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1303867429 QBKDZOREUXZGOO-DOTOQJQBSA-N 461.548 0.276 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC3([S@@](C)=O)CCC3)CC2)c1C#N 1304732223 ZIVBFXMKNBJNEW-UUWRZZSWSA-N 487.634 0.958 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1313990340 YSCOVMSRHZSBQT-SFHVURJKSA-N 454.579 0.937 30 20 JCED CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1315050071 RSIKOUASLCKSII-SFHVURJKSA-N 460.560 0.841 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2nc(C)nc2C1 1359084537 LAHNFPNEPIPXDE-ZDUSSCGKSA-N 487.384 0.440 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1360312433 RPBCIPSLYMBBEX-UHFFFAOYSA-N 482.570 0.801 30 20 JCED Cc1csc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)n1 1492648883 KWWKCHBHQCIRTK-DZGCQCFKSA-N 450.594 0.878 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1507869070 RETBDAYMYCOMJZ-IAGOWNOFSA-N 475.015 0.522 30 20 JCED C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1508434091 MRGFFEJFZUCSBM-LSDHHAIUSA-N 468.605 0.966 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1518658334 OEGLRFCZSTWZMO-UHFFFAOYSA-N 460.560 0.983 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)C1 1541569948 WDCYASGDOZHMDF-FHWLQOOXSA-N 483.639 0.706 30 20 JCED COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1619607389 NWCGYRRPWPVPBL-LJQANCHMSA-N 478.575 0.862 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 1638203029 ITBPOZRAIOJNEJ-MSOLQXFVSA-N 453.499 0.934 30 20 JCED Cc1ncc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)s1 1693380677 VYAYJYLTIUKWCG-SWLSCSKDSA-N 450.594 0.878 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCOC1 1706886050 JWCOLCUJDLNRLA-DOTOQJQBSA-N 460.564 0.518 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1711050291 RBDYIWNUJLXYKW-JOCHJYFZSA-N 456.503 0.175 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC(=O)N(C)C 1723960697 UOJMKCCYABHEDM-PBHICJAKSA-N 461.548 0.426 30 20 JCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1729070160 NSDQLRCHBAUQDA-SFHVURJKSA-N 459.576 0.948 30 20 JCED Cc1nccnc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1742642236 HPAUTKACHQTSEE-DOTOQJQBSA-N 459.580 0.406 30 20 JCED CCc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1744376802 POZMGVVMPJELTO-RTBURBONSA-N 460.560 0.950 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1769357466 MVIGSRJQTTUQSM-UHFFFAOYSA-N 473.559 0.767 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)CC1 1778114941 PIZHEKLMZMPBDH-DEOSSOPVSA-N 488.610 0.992 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1)NC(=O)OC(C)(C)C 1778793878 UIMMSXTYVWTLLX-PRCFCKQXSA-N 498.577 0.740 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1778968661 VOJMVOCZMCIRNV-AVRDEDQJSA-N 465.572 0.643 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(OC)cc1C#N)C2 1779555828 JXXVQUVLZUGHTI-TZBSWOFLSA-N 486.569 0.774 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780174330 DDPYOKNNDOVAQR-WIBUTAKZSA-N 451.549 0.342 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780244825 SFKVZMQULCMPSK-IVZQSRNASA-N 461.519 0.683 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC=O)C1 1780730261 VDNXXVGOOUSQDT-OIMFZILRSA-N 464.563 0.551 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1781290491 HNZJFDAAEVZNNA-YGKZAACZSA-N 482.578 0.739 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781396153 NXEZDADSGNHNOH-OFNKIYASSA-N 487.594 0.704 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1781696518 GCJOABIXSFEHDC-WJONJSRFSA-N 451.520 0.590 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1783132160 PFDQSKWTXUSFQJ-NTKDMRAZSA-N 491.508 0.496 30 20 JCED CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cnc21 1783561615 BXLCFSPNOUNUDP-DEOSSOPVSA-N 484.509 0.911 30 20 JCED CC(C)(C)OC(=O)N1CCC(CNCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783562269 KINCEHSWHDDRMQ-DEOSSOPVSA-N 492.573 0.141 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3nc(Br)nn3c1)CCO2 1783563274 ZYQHCLJUQNYQRL-SFHVURJKSA-N 462.260 0.023 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3cc(C(F)(F)F)ccc3n1)CCO2 1783564482 KJZOXYYTVHMHMP-LJQANCHMSA-N 450.373 0.885 30 20 JCED CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783568134 NNSOTINMGLXCDH-PVWAMWICSA-N 463.531 0.988 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)C[C@@H]21 1784486774 OPCLIWFIXJSHQS-DCDFMAEDSA-N 473.545 0.891 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1785577088 PGCWUGNORYGXTF-IIBYNOLFSA-N 471.576 0.168 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)[C@@H](O)C1 1786702100 ZVUUVJSYZXKINF-VMXHOPILSA-N 464.563 0.888 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc[nH]n4)[C@H]3C2)CC1 1787222946 YOSDEXCSEVALOK-ULQDDVLXSA-N 487.561 0.939 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1787510993 ULZHLJCLTQNPFZ-AUHSXMTCSA-N 456.524 0.724 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3NC(=O)C4=O)[C@H]2C1 1788434412 FSSNQARYDLYVKY-WBAXXEDZSA-N 467.526 0.697 30 20 JCED NC(=O)c1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788656208 KUBXSQCXRWGEOA-CFOBNFAJSA-N 459.503 0.303 30 20 JCED C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1789881432 PMMOFWILUGNAGQ-XWSJACJDSA-N 491.589 0.641 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CNC(=O)C4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1790863160 ZZVCTNNFCGMZCC-PJVZLEMVSA-N 476.574 0.668 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075580 AAISOEZUJDOKFU-VMXHOPILSA-N 493.557 0.374 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccncc3)[nH]n1)C2 1792490233 QJEWHWLGHSILTH-VQNZHGJDSA-N 450.499 0.533 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)CCOC1 1792633466 SIMKBARCKFIWLC-CPBBTPEFSA-N 450.536 0.810 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(C)(=O)=O)c1 1792696245 YLUVHPZSBDKYIY-XEMDLRDOSA-N 464.540 0.803 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)CC 1793254444 CPIXKEMWTKPWRM-PQTWZCJSSA-N 478.590 0.960 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)O)C2 1793600138 VGVRDRUSGQGLLD-KRXQYRFLSA-N 471.576 0.863 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)[C@H]1CCc2nc(O)nc(O)c2C1 1794113638 WIBCCGGBZUYXCE-SWLPJZEISA-N 469.498 0.294 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)C2 1797714649 ZTZJWLYXDDNRAT-NGKOCFBJSA-N 493.601 0.928 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818064 HIOJITJTPNEISA-ROYQGRPPSA-N 472.542 0.924 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnn5c3OCCC5)C4)c2c1 1799885565 OCCRXNUNXBFHKG-CCWDJLKJSA-N 461.482 0.931 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1 1800778224 IDADMBXJJBXBGP-LJCCNALRSA-N 463.531 0.701 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801981017 MOBCBQLCTOJGLE-YYIAUSFCSA-N 450.536 0.810 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)[C@@H](O)C1 1801990415 YBDHDCKIUFBYMG-TURABVPUSA-N 463.531 0.721 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2 1802128028 VUEKCKVRBUWUMX-ZMMAXQRCSA-N 482.541 0.849 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CN2CCSCC2)[C@H]1c1cccnc1 1802440312 GNXQWKGELMSXRZ-JCJKFKTASA-N 457.600 0.995 30 20 JCED N#Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)ccc1F 1808549009 HMFSWYGWWGOART-HXOBKFHXSA-N 478.484 0.893 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1813174818 JASVISJRWKODBZ-PHDJMTKTSA-N 469.498 0.541 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)c(=O)nc1O 1814038481 ABDLDIFRXFAIJI-AZUAARDMSA-N 481.557 0.640 30 20 JCED NC(=O)[C@H](N)CCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819899425 VOCATNOZVCGULW-TUNLLYFNSA-N 452.537 0.177 30 20 JCED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819952183 XKVATEAWSQJVNT-SJGMLKTKSA-N 466.483 0.812 30 20 JCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3cnc4c(c3)NC(=O)CS4)sc2C1 1824222990 OXLUGHAPOHODEV-JTQLQIEISA-N 457.493 0.896 30 20 JCED CS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)cc1F 1827874873 CPINCSGFQWZSNH-LLVKDONJSA-N 465.484 1.000 30 20 JCED Cc1ncc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)[nH]1 1828609665 CJXHHTIUZGRBJV-XMMPIXPASA-N 479.493 0.872 30 20 JCED Cn1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CC#N)C3)C2)n1 1828669384 HMQBHQVXFNPOPR-QFIPXVFZSA-N 451.487 0.794 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCN2C(=O)OCc1ccccc1 1828757930 LYEMONOXVUDXQD-VWLOTQADSA-N 493.472 0.794 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1828803453 QAYDFYGGALIWFI-DVECYGJZSA-N 467.526 0.878 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829373793 QRVCPIBCHVCJTJ-KBMIEXCESA-N 496.520 0.053 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1830352752 NZYPXQZNWRFAPG-MOADCYBESA-N 469.538 0.036 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1 1830460474 NXXRUSIQMKXQGT-HSZRJFAPSA-N 467.482 0.462 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1830839000 YKTIIHNIWSKJQQ-WAIKUNEKSA-N 475.567 0.376 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1830886912 MFYKNUIYVYQISJ-JTSKRJEESA-N 464.519 0.325 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1831392419 DMNSCEISKNDQTO-FDDCHVKYSA-N 453.499 0.376 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1831408759 ALWGWRIYTLOMJO-XMMPIXPASA-N 457.527 0.983 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1831420584 YMDPDBUXZDGWKT-IIBYNOLFSA-N 467.544 0.146 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831490178 OTUOXTKSNXPKGU-FQEVSTJZSA-N 453.580 0.402 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1831998589 OLLBKCSXZLLOTG-GAJHUEQPSA-N 477.562 0.960 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1833478392 VINPEDXDWBCJLP-IIBYNOLFSA-N 467.563 0.644 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1833596212 ATLRRKBFVRMLDR-FQEVSTJZSA-N 469.585 0.474 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(O)cn5)CCO4)C3)c2c1 1834589910 GIXJCTYZUSHDJT-QHCPKHFHSA-N 462.466 0.919 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1834716122 DMGCSIRJUBFJMY-UHFFFAOYSA-N 467.578 0.591 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@H]2C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834767041 LRZHSVNKFOCRDX-UUOWRZLLSA-N 492.573 0.630 30 20 JCED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834796347 PSIVBEBENJAYMG-UHFFFAOYSA-N 459.576 0.522 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1835095775 DEPVDPHJLAWUJE-JOCHJYFZSA-N 453.455 0.299 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c([N+](=O)[O-])c1 1835345885 IMRVFDSKVYLCEP-JOCHJYFZSA-N 472.454 0.755 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835364295 POEJEJLHXXUOQU-FCHUYYIVSA-N 466.535 0.118 30 20 JCED COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1C 1835672716 IUDHLGUCECMWFT-QHCPKHFHSA-N 459.547 0.751 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nc1 1835673088 WAQXNFWKADZKHP-QHCPKHFHSA-N 458.563 0.499 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1835677555 KJJKGGPDVBXHLF-JOCHJYFZSA-N 455.519 0.081 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)c1Cl 1836128491 ZDBCTQBZHLOOTQ-UHFFFAOYSA-N 486.960 0.949 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837050375 WGWSTCCEFPXFOE-UWDDZFTESA-N 477.543 0.995 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1837397053 LYDYOHWEKPTSFF-XXBNENTESA-N 495.598 0.269 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837491264 XHIASJUKXNBLDV-HSZRJFAPSA-N 485.566 0.855 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837728379 YSTMMVPHJMXPPU-NZQKXSOJSA-N 477.945 0.299 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837924385 ZEASTTNUGJNVBR-NVAXRVGSSA-N 450.927 0.672 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)c1 1838582158 CZHQKFVMVIWJHG-XMMPIXPASA-N 479.493 0.671 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826816 ANWAAGYGDCVXOW-RTAJLIBNSA-N 465.463 0.522 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839227833 ZSZFSQPIKYMTDA-DYVFJYSZSA-N 453.414 0.349 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1839388152 IEMVXZBYAGJGIG-AUUYWEPGSA-N 463.478 0.497 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485915 BZLCIJLNFVYKBI-WAIKUNEKSA-N 451.483 0.543 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839552114 GQFUERQTYAXJMO-XTVKVDEJSA-N 454.531 0.876 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)C[C@@H]2C1 1840044296 BWECATRYFYAFQH-VEYWIMSWSA-N 491.541 0.178 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1ccc(C)cc1)CCO2 1840097038 SZGGXQLIJQJXGI-XXXZYALBSA-N 455.511 0.493 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34COC[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1840155842 DMOLSYZRRTUMKC-RZRCNZQPSA-N 499.630 0.645 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840176786 VZKZOWNGQOKLGP-QHCPKHFHSA-N 466.579 0.572 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1F 1840772075 DQUSKDADCJRDEL-JOCHJYFZSA-N 479.530 0.993 30 20 JCED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840798311 KGFQCDPHJVTEAJ-MGPUTAFESA-N 456.565 0.613 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)C3)C2)CCC1 1840813053 ATTSHLCKZRRBJI-NPMXOYFQSA-N 471.514 0.143 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840857776 ZVVVCYBLBDZBLY-YOMUGFJLSA-N 467.563 0.648 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1840906460 CBYRZDIUWDFCAQ-MPWIWIEXSA-N 453.511 0.717 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1 1840906568 FQZARTXHRBFBRM-HXOBKFHXSA-N 475.546 0.407 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)CC1 1845137132 KJAREMFXCINOPY-UHFFFAOYSA-N 499.505 0.455 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845811064 GNXMXRCZPULXHM-JLCFBVMHSA-N 464.519 0.202 30 20 JCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CN(CCO)CCO)C2)c(C(F)(F)F)n1 1846033512 LZYSXLNPQUTBEY-UHFFFAOYSA-N 455.437 0.076 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1847070767 QWOCRJXIODEOGI-SFHVURJKSA-N 496.630 0.778 30 20 JCED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 16085185 HNFZRYHHOCNDTP-UHFFFAOYSA-N 498.608 0.504 30 20 JCED CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 18360765 YWDLSEJJKUBYAL-HNNXBMFYSA-N 472.545 0.063 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)CC2)cc1 24185910 XIIDLBALGWYXKR-UHFFFAOYSA-N 493.567 0.054 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(c4ccc5nncn5n4)CC3)CC2)cc1 30568022 XDUCFQPHFWHHKX-UHFFFAOYSA-N 480.554 0.745 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 503270883 LZYSSAHCIBARCQ-UHFFFAOYSA-N 475.527 0.679 30 20 JCED CN1Cc2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2C1 506537269 BDQZYZKJRPFJSV-UHFFFAOYSA-N 453.524 0.975 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCOCC 522277064 AWGRJEBPEWEKSF-UHFFFAOYSA-N 477.608 0.769 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCc1ccccn1 522389330 FIXQLUDDFQXBTO-UHFFFAOYSA-N 490.541 0.638 30 20 JCED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)c1 603455082 XZJUAXSEWKMXGG-UHFFFAOYSA-N 476.580 0.987 30 20 JCED N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O 608911665 HQYSILIJYLKLSX-UHFFFAOYSA-N 498.467 0.586 30 20 JCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NC2CCN(CC#N)CC2)c1OC 609328223 GLNMZQFKSDFBQR-UHFFFAOYSA-N 452.533 0.442 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc(F)c3F)c2=O)cn1 609351234 WWXXMUNWBYKRRD-UHFFFAOYSA-N 471.489 0.755 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 729257874 VPBPBHJZZOEZPF-UHFFFAOYSA-N 474.627 0.988 30 20 JCED CC(C)[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(N)=O)C1 877729800 AHCBPBCJXIIXGU-GUYCJALGSA-N 450.517 0.017 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914652863 NDKGSMBGUUUMGY-YESZJQIVSA-N 477.539 0.909 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)ccc1F 914657470 MNJBJPWKTPRCHU-HNNXBMFYSA-N 477.518 0.974 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC(=O)N(C)C(C)(C)C#N)o1 915250139 RIJAAQOGTKYGSF-CYBMUJFWSA-N 455.489 0.913 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1CC(C)C 917356100 TVTBXOVOXCTGDO-UHFFFAOYSA-N 460.600 0.896 30 20 JCED CC(C)(C)OC(=O)N1CCN(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 918647173 IROWDGBWQXIXAJ-UHFFFAOYSA-N 451.549 0.394 30 20 JCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccccc3S(=O)(=O)N(C)C)CC2)c1C#N 1189273678 XRKRWERPQLAMRE-UHFFFAOYSA-N 452.562 0.361 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 1303639487 FLPXJNNZQURWAM-WBVHZDCISA-N 467.596 0.798 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CCO1 1517545493 OOVBLGVSSFIYSX-ICSRJNTNSA-N 497.556 0.175 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1610175989 XYQZSNADBMYDES-UHFFFAOYSA-N 489.602 0.420 30 20 JCED CCN1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1695902413 RTKKWAMNFOMPSP-GOSISDBHSA-N 453.551 0.682 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1710264856 OWUNXJYCNAWBKX-GJYPPUQNSA-N 456.592 0.356 30 20 JCED C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1722539492 RKYAYBRMAMDDNV-KRWDZBQOSA-N 462.576 0.897 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1766958606 MXEKZIDQFRUJOB-QZTJIDSGSA-N 478.600 0.864 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1769153018 YSCXHYXETXRYLK-UHFFFAOYSA-N 481.557 0.797 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C1 1778077683 KRMGVRUOPBWVNG-WQDIFCEISA-N 477.587 0.161 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ccccc3n(C)c2=O)C1 1778623297 FDVKRVLVXBEQOL-LDALOYHTSA-N 493.564 0.919 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3nncn3c2)C1 1779065772 QFQFMSLIOZPRJM-AWWPTUBISA-N 452.515 0.715 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1779102856 YTGYJQZUERKEOF-NZLUSWSZSA-N 486.591 0.017 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107898 YNKLACOKNPVOEL-JCDAUTPCSA-N 470.523 0.188 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4c[nH]nc4cc3Br)C2)C1 1780086432 BTDRQPVWEOWWKS-LJQANCHMSA-N 461.272 0.857 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1781051635 YCXKTYPOOSEMFJ-IGXIWVFISA-N 498.577 0.872 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1781170001 JSBAXCLGOLBUJT-HSZRJFAPSA-N 474.514 0.445 30 20 JCED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1782467844 QDKCPEDMEBAGKT-WOIUINJBSA-N 463.604 0.890 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(N)=O)C2)c(C(F)(F)F)n1 1783286602 MYWQRDHZHMVNGS-AUUYWEPGSA-N 468.436 0.768 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784111868 CCHLMVGQQOGPKJ-HJPURHCSSA-N 476.530 0.211 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1)NC(=O)OC(C)(C)C 1784414004 ASWZKNWWHNDAHN-XSLAGTTESA-N 466.579 0.962 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CC(=O)NC4=O)[C@H]3C2)c1 1785031164 QMYYUGHBQMXGBL-QZHFEQFPSA-N 453.499 0.459 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785331295 RJFWWYNTBATLJK-NCTLDZBQSA-N 474.558 0.546 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1785572539 OHACXEDVTYXTHS-UUOWRZLLSA-N 478.590 0.895 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1785597936 JJCJGAAHNZEVDL-QQTNTEGQSA-N 488.541 0.211 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785707183 FGEVVMBHMFQGBO-YEWFCNIMSA-N 451.545 0.670 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21 1788573388 VPTMJGBNBGMWDV-VPAKFMSCSA-N 454.520 0.034 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1)N1CCN(C)CC1 1788637681 MZGVRCTVYVWPNQ-MLNNCEHLSA-N 460.619 0.301 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1788660990 TUYROKVKBJCCFI-NYFXNJLGSA-N 461.519 0.624 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccccc4=O)C[C@@H]32)c(C#N)c1 1789839702 YRFBGHIRNQSBGV-NYVOZVTQSA-N 464.522 0.951 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1789904451 QLSPQGOWICXGAY-OROIIQQLSA-N 480.606 0.548 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]2C1 1791142721 CDAOJBZEXBJVGG-ANULTFPQSA-N 472.579 0.253 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793085640 BZKJOIADRKRBMB-JJTUDDRGSA-N 459.609 0.806 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CS(C)(=O)=O)N(C(=O)OC(C)(C)C)C1 1793371493 LTPPFHUXEXCPFJ-OYSTVDSJSA-N 499.630 0.822 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H]1COc2ccccc2O1 1793840734 WCARZGXPXJNTTR-SLWHMQQBSA-N 459.499 0.945 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c1 1794320861 MMICXZHIDFTIIU-OYGISIJKSA-N 480.543 0.217 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)CC1 1795413489 FRMXCDYOMZYXNU-IZZQQSIFSA-N 461.563 0.432 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1795599423 FFBJJPSXLPCZFM-XOIINTDNSA-N 458.544 0.241 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CCN2CCCC2)nc1 1796502367 FVHFQGRIGJCJJD-WRHDZBKDSA-N 454.571 0.961 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])c(C#N)c1 1798009938 YYOGGGUHBRIZLR-CCWDJLKJSA-N 454.443 0.644 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NC(C)=O)N(C(=O)OC(C)(C)C)C1 1800534974 HKZUZKHOQOIFON-UJCHZGTJSA-N 464.563 0.666 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800988936 BMEQXHHWDLTEHK-JAAXMTQOSA-N 459.565 0.351 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2)NC(=O)OC(C)(C)C 1801928574 HLLGBFQVURLCCM-WPECMILSSA-N 493.561 0.034 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1802140753 HSZBZDXZASPJDJ-AGYLXNLDSA-N 487.557 0.302 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2C(N)=O)[C@@H]1c1cccnc1 1802477611 QKQABXURNXSQDD-ZRTRKKQLSA-N 462.510 0.754 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](COC)NC(C)=O)C2 1804375945 BVAKUSHKYFBVLK-XCDZQEORSA-N 464.563 0.692 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1808271366 BEBMPQPGRSDFJI-OHLRXGENSA-N 452.471 0.461 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879045 DKLLCRAOCWDNAS-DYESRHJHSA-N 474.514 0.717 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1813118320 SKCCBYSQHNNBIF-VWQFJMCTSA-N 486.525 0.547 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC#N)n[nH]2)n(C)c1=O 1817120684 ZXEBRDZMHJCOKX-AWEZNQCLSA-N 467.490 0.153 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)Cc3cccnc3)sc2C1 1817184042 YFCTWLWZLRZTAZ-FLELRFNZSA-N 454.556 0.879 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819885988 DXQAQTRGBUJCMF-UMFMSQNGSA-N 467.548 0.235 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828632321 JYMNKXQCSWBFQS-UQBPGWFLSA-N 495.536 0.450 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828927622 YSCOGZXHUGQKBF-QHCPKHFHSA-N 452.467 0.830 30 20 JCED CN(C)C(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3(C#N)CC3)C2)C1 1828933785 BALZKEMLDKXHOU-DEOSSOPVSA-N 467.526 0.830 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CSC(=N)N)CCN2C(=O)OCc1ccccc1 1828946437 VIIDGOWXLYUIQE-OAQYLSRUSA-N 458.544 0.979 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCN2C(=O)OCc1ccccc1 1829261096 OPLCGXYXVRKLPW-WMZHIEFXSA-N 473.551 0.649 30 20 JCED CC[C@H](NC)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332497 OGHUGLMERYEBFL-CYFREDJKSA-N 470.526 0.525 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C3)C2)C1 1829667229 XOTFPYDVLKRZMQ-WZONZLPQSA-N 466.579 0.651 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1830058206 RBEOWJAHSJACJX-QGZVFWFLSA-N 487.298 0.634 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1831490438 BOYNBFHWHVCDMG-UTKZUKDTSA-N 465.576 0.041 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832048355 BAPDNQSSULVLSJ-MHECFPHRSA-N 495.573 0.962 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832749292 GVQRUEYTIMVKMN-HTAPYJJXSA-N 460.556 0.857 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)c4nccnc4C(N)=O)CC3)CC2)cc1 1833107279 OFKRXYQKBFMGAG-UHFFFAOYSA-N 475.553 0.875 30 20 JCED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)cc1O 1833401148 SYLJNVYBWYMGBE-QHCPKHFHSA-N 453.499 0.700 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3nnc4cc(C)nn4c3C)CC2)CC1 1833465880 UXFLSVWZHOTFAG-GOSISDBHSA-N 467.574 0.965 30 20 JCED CCc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1Cl 1833593655 ZRHHMEWODIYLMF-JOCHJYFZSA-N 480.997 0.988 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c1 1833763033 JNACKBNXQISIDE-FQEVSTJZSA-N 482.541 0.350 30 20 JCED O=C(CN1CCOCC1)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1834621443 LCNMRCQHLCBKHW-WDRHXJDGSA-N 465.595 0.419 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1835102470 TYMFDHLUUARHRH-HXUWFJFHSA-N 453.417 0.173 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c1Cl 1835541125 RYXAJCQMPFZSDF-LJQANCHMSA-N 486.849 0.006 30 20 JCED Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(C(F)(F)F)n1 1835677208 BHLVRURSUABHMM-FQEVSTJZSA-N 486.495 0.791 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1835714114 XFGYUMCPXUGSCI-HXUWFJFHSA-N 482.585 0.848 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836643783 KZBRHJFKAGLDJM-FUXKOTGBSA-N 455.511 0.305 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)[C@H](O)C1 1836769502 MYRRPXWCGMZSQT-MQNAVGNWSA-N 480.562 0.364 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836875052 ACVLSHAOZFYZPR-XMMPIXPASA-N 476.493 0.750 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)N1 1837115959 RCIQAXFGTJZURH-FSTGKYBXSA-N 462.551 0.055 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1837428462 KIYGLOBZIYZRKB-JOCHJYFZSA-N 478.622 0.046 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1837489279 BSACDAUZLRPURI-DEOSSOPVSA-N 459.518 0.918 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525749 PBNVAGYEDVQHDH-OLACYZMCSA-N 489.573 0.977 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1837529580 VRVAHNWVETUYFS-PONPZLSQSA-N 471.514 0.933 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530862 SAIHMMHLTCRIBE-MBIGCVILSA-N 467.519 0.481 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)no1 1837549345 QSBBGCBVFNNNLH-XMMPIXPASA-N 481.509 0.549 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn2[nH]cnc(=O)c12 1837564466 QHWBURKGCIXSHQ-DEXVNCAESA-N 482.497 0.113 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cc(C)[nH]n4)CCO3)C2)c(C#N)c1 1837589178 QMDMNYMEQFFDDV-DEOSSOPVSA-N 467.526 0.840 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1 1837793504 HOJMWWZRICCRCV-UHFFFAOYSA-N 476.551 0.719 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838404891 SRNVXFMSURSNGJ-VGOFRKELSA-N 454.568 0.437 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1839165631 PZKZAFFVRJCCBM-IXFSTUDKSA-N 482.578 0.437 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4ccc(F)cn34)CCO2)C1 1839591265 OFLDTLXJIVPUIX-QHCPKHFHSA-N 472.521 0.825 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cc1ccncc1)CCO2 1839656246 JKGATQNZIDQUSA-LQWFFAPYSA-N 456.543 0.575 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1839761452 KGCMMLRZKPUPMJ-KURUZVKSSA-N 450.536 0.258 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1)NC(=O)OC(C)(C)C 1840322941 GFMNRNQNKVNRDI-SBUREZEXSA-N 498.577 0.658 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840371457 LBDSJCPTOYEWNI-ZJSXRUAMSA-N 480.525 0.099 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c(Cl)c1 1840447729 ARCSGSKQKDUDRZ-OAQYLSRUSA-N 458.906 0.963 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)c(F)c1)CCO2 1840772596 WKRNSAATKJOADQ-NRFANRHFSA-N 452.504 0.713 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840895486 VVSKNZUXTMSDKK-MAUKXSAKSA-N 461.631 0.258 30 20 JCED COc1cc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)cnc1I 1842295919 LYBNQAIHSHVDSM-UHFFFAOYSA-N 469.235 0.600 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1847071288 XBNOIIZYQJGLCC-MRXNPFEDSA-N 484.557 0.750 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847108763 RVQKMTNKGDMWOJ-GOSISDBHSA-N 484.557 0.866 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(F)cc2)c1=O 501768874 DZCLSMXHEZRQQR-KRWDZBQOSA-N 473.526 0.800 30 20 JCED CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)CC1 517336752 FVYVTCOUASWBQT-UHFFFAOYSA-N 475.553 0.557 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522536051 RLJJBDJFNWKLTL-UHFFFAOYSA-N 484.559 0.312 30 20 JCED C[C@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 522537926 STOMGOFVLLXJMS-YWZLYKJASA-N 490.589 0.929 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCc1cccnc1 524337327 DASOJDHLEJSMNZ-UHFFFAOYSA-N 452.511 0.952 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 726042822 MUFWRBSDCHRNPX-UHFFFAOYSA-N 463.468 0.174 30 20 JCED Cn1nc(Br)c2c(=O)n(CC(=O)NS(=O)(=O)Cc3cccc(C#N)c3)cnc21 727235760 RMFYJPXUFRDBHN-UHFFFAOYSA-N 465.289 0.410 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCS(C)(=O)=O 729670937 BZBQTVCXHOAFTD-UHFFFAOYSA-N 455.508 0.260 30 20 JCED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 821727564 IRLBUDKFRULXDE-ZDUSSCGKSA-N 494.551 0.546 30 20 JCED CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 823975220 XVNTZROGHNTMST-SFHVURJKSA-N 499.659 0.871 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@H](C#N)C(=O)NCCOC)CC2)cc1 919665476 YTOXNXNJUZWQNN-SFHVURJKSA-N 465.528 0.735 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 923869068 OCGSNTGVPXYWIF-AWEZNQCLSA-N 459.484 0.843 30 20 JCED C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1301047784 OOZDODCNAPUQOV-UHFFFAOYSA-N 457.926 0.483 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1302480660 UCYBGIJNBAKIJG-GOSISDBHSA-N 457.560 0.942 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1314629595 QOMJNPPUUSWJOG-WOJBJXKFSA-N 452.563 0.935 30 20 JCED COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1315538445 UZOGEVBHZZCAET-QFBILLFUSA-N 476.559 0.876 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCC(C(N)=O)CC1 1321443902 JXXJCMFWFAWJTJ-HSZRJFAPSA-N 454.483 0.419 30 20 JCED CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1516842256 WWSMPXQZCAASER-UHFFFAOYSA-N 492.581 0.693 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1517599925 MMJLSVQNJPAXJE-UHFFFAOYSA-N 468.562 0.511 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1539600810 VSZYPTPJYNEARR-QWHCGFSZSA-N 491.368 0.160 30 20 JCED C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O)S(C)(=O)=O 1541123427 MQKSDSQPXBNBQR-KGLIPLIRSA-N 454.578 0.624 30 20 JCED CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1679425262 RLRPYLKVYATDEJ-AEFFLSMTSA-N 454.574 0.930 30 20 JCED CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1741714085 LHAFBLGEHOYXIB-SFHVURJKSA-N 487.586 0.868 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777832081 NTNZJZMESFGFQF-HJPURHCSSA-N 483.529 0.484 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137444 NIDHKIWEIJLIJW-ICPRYBPLSA-N 490.557 0.899 30 20 JCED CC(=O)Oc1ccc(Br)cc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1780095564 RYSYYKCQEHVVGE-HXUWFJFHSA-N 479.283 0.906 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1780739452 KEDPIUOAXPTPDJ-FWVWUXMJSA-N 480.587 0.812 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781201951 PBMJYVJMTATADP-GAJHUEQPSA-N 469.579 0.931 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)C2)C1 1781208931 ZPEHBAWSANBPQG-JOCHJYFZSA-N 453.536 0.398 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1781390546 JWQORSRUZATJCZ-FOIQADDNSA-N 452.533 0.730 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(n3ccnc3)CCN(C(=O)OC(C)(C)C)C1)CCO2 1783055512 WPRHOELWWAGNCI-DHIUTWEWSA-N 457.531 0.682 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783453014 KSOZWNZAAZKGEG-IECBHUPTSA-N 491.585 0.881 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1783647659 XDMQXERNVOWZEB-PTLVVNQVSA-N 470.526 0.892 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCO2)C1 1783732484 ZNCJYXBZSPEENS-MHECFPHRSA-N 488.541 0.135 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)c1ccc(O)cc1 1784013098 SHZSZBHFDNHXJJ-SNYIIPAISA-N 473.526 0.784 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1)c1ccc(O)cc1 1784013545 FKNSDHCEFJQMTD-NRYAXDJKSA-N 456.543 0.312 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2)c1ccc(O)cc1 1784022642 RSNXOLJFNVRGJQ-XRODADMRSA-N 471.554 0.370 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)cc1C#N 1785196091 NBQITGSYUWHADZ-MBSDFSHPSA-N 457.531 0.382 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1785575190 ZRHCIIVIFNPVRU-BXKMTCNYSA-N 488.541 0.756 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)[C@]34CCN(C(=O)OC(C)(C)C)C4)C2)C1 1785622144 AXPFCRAZMLWLFF-MUEKUWCCSA-N 488.585 0.603 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCC3CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1786886393 SIPOWLVVZQVMQA-UFYCRDLUSA-N 462.591 0.836 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1786900092 UZWPNOUQHZAZHG-OYSTVDSJSA-N 494.589 0.594 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787500837 SVLJUYZQAAOYBC-FLXRQSBHSA-N 455.540 0.954 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788194759 VITVQMHEXFAMHR-TUFLPTIASA-N 491.633 0.130 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1788577304 KRZPCBNDDRZROJ-ZQDZILKHSA-N 455.602 0.400 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C(F)(F)F 1792780369 YZPZTOPAVCHMSU-FWEDZOCSSA-N 469.460 0.874 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1792793126 RCKSQIGECBDIAB-HXNMQBSASA-N 496.630 0.932 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(c3cccc(OC)c3)C1)C2 1793341417 PSUVXAGGAILAGY-ZGHDPVSRSA-N 469.538 0.676 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C 1795465431 XWQTWYZFNQGFII-MHORFTMASA-N 464.563 0.361 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O)c1ccccc1 1795520856 LFOQJWLGJNOZMS-JTJHWIPRSA-N 463.471 0.498 30 20 JCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)n(-c2cccc(=O)n2C)n1 1795934396 MMZBLCJVGGKWHZ-FAQVEIGNSA-N 475.509 0.596 30 20 JCED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/C(=O)c2cccs2)no1 1796446019 IRIZWPTZFYVQIV-RXQJWBBVSA-N 472.523 0.803 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)c(NC(C)=O)c1 1798607169 OVOMQBKEDRWGPX-NOOKGOPLSA-N 470.526 0.715 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn(C)c(C)c1Br 1798713607 AMXGZGZIMNBSRB-HGTKMLMNSA-N 453.337 0.733 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2 1799323088 YHBPUAMYXOOUOJ-UJCHZGTJSA-N 466.579 0.960 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1799682473 SEDZHYYFDJDGBW-YNVMFWSZSA-N 465.547 0.118 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2c(O)nc(NC(=O)C(C)C)nc21 1800345146 GLIIKUWLPKAZOZ-JLVBRIDZSA-N 483.529 0.129 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C 1801158678 QVNRXSVYJQGGJU-QLCXLMDBSA-N 463.531 0.540 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)OC)N(C(=O)OC(C)(C)C)C1 1801205334 BTOWTEXALZJTKN-DFGXFYAUSA-N 466.535 0.498 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccncc1=O 1801259401 PXFLKWZXSKYAMB-MHORFTMASA-N 457.531 0.798 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)Cc2cccnc2)[C@H]1c1cccnc1 1802482951 ODUQEJMNGNXPCH-DYIZMMAGSA-N 462.554 0.911 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)CNC(=N)N)[C@H]1c1cccnc1 1807063455 RDYBDCODYDWWHW-ZIFCJYIRSA-N 471.562 0.487 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1808449033 BIOVTMPMJYJWDD-URXFXBBRSA-N 485.585 0.761 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1810361714 ZXZBRKNUEUNLIM-GHHVQGEPSA-N 472.502 0.168 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1814209589 RGHWMHRMEWTAHJ-NXNFSMPISA-N 485.585 0.727 30 20 JCED O=C1CN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC3(O)CCCCC3)[nH]n2)C(=O)N1 1815668029 OZMJPUXPRQVASN-INIZCTEOSA-N 456.503 0.652 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)NCCC#N)n[nH]2)CC1 1817317750 CQWCLKHLBYIFJQ-IBGZPJMESA-N 472.594 0.848 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816786 UPXTWRWFFPPVLH-SMDDNHRTSA-N 456.467 0.643 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819846668 RIQISQXBBLHWPS-ACJLOTCBSA-N 464.544 0.818 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1829692526 VJIWZULJQVWWAI-FSBGXSNOSA-N 487.619 0.379 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1830050115 KEESJTZQTNBFNH-HCXLOTKHSA-N 454.527 0.865 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1830063355 PLZWHDUNIHZGMT-XMMPIXPASA-N 466.494 0.736 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1830886230 SKFOEARLCNRRRT-KKSFZXQISA-N 491.532 0.930 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)NCc1ccccc1 1831207453 LQBDGQKZTYJFNO-UKEJNIAMSA-N 451.523 0.729 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OCC)cc3)C2)C1 1831398473 COXKOMFTWHACFM-KOSHJBKYSA-N 458.511 0.972 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831406203 ZZQINKAXAVTCLW-VWLOTQADSA-N 488.585 0.971 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)OCC=C)CCO2 1831438989 ZIWMAKUDLHHEBA-AXHZCLLHSA-N 479.574 0.951 30 20 JCED CN1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1832066002 FSQMSEWSHLAXDP-CVDCTZTESA-N 452.515 0.599 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833028872 WMEDZSPZFZDHDF-SZNDQCEHSA-N 482.484 0.661 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833172571 UFPLTRGWNYNOFL-HSZRJFAPSA-N 451.483 0.426 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)nc1 1833603445 WHZRVNMMRQLQTA-NRFANRHFSA-N 462.528 0.249 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834873291 HKUSZIZEMRWVDQ-IBGZPJMESA-N 490.609 0.714 30 20 JCED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)CC2)CC1 1835510416 MADHAGWUAUBHQV-UHFFFAOYSA-N 494.640 0.836 30 20 JCED C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680151 DMLCUGWZZJRCSD-JPYJTQIMSA-N 459.547 0.587 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)CCO2 1836684430 AIXNBLNGZGWERY-OZXSUGGESA-N 467.566 0.757 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1836992136 ZQEUQBDOUHZLFN-OALUTQOASA-N 467.611 0.740 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1837390546 ATSHGVJJKRLXOO-YKSBVNFPSA-N 462.543 0.973 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1837399366 RPDHJEGQKYQBCT-FZKQIMNGSA-N 452.426 0.121 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837443780 JGDOWVHJNXUDRE-NVAXRVGSSA-N 450.927 0.672 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447403 MUBSSSMVNRSMEI-NHMXVPMISA-N 460.579 0.508 30 20 JCED C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493451 GCENJQAWRPJJBH-RDPSFJRHSA-N 458.559 0.674 30 20 JCED Cc1cnc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)cnn2c1 1837529397 SRNJFVQMJIFMHB-CYNIRRGWSA-N 486.529 0.637 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c1 1838579434 LARNBTMDGXHWFB-QHCPKHFHSA-N 452.467 0.584 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCN(C)C4)C3)C2)c(C#N)c1 1839132346 CYYPXZYFGKPQSS-CPJSRVTESA-N 470.570 0.908 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839138817 PJTWXRXUHMSASQ-QHCPKHFHSA-N 465.547 0.398 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1839173453 PYBUDQWWFDFJBN-QHCPKHFHSA-N 494.566 0.670 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)c1ccccc1F 1839234219 ZOJACDKENOMSGN-ISKFKSNPSA-N 472.517 0.937 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n4ccnc4n3)CCO2)C1 1839550657 WRNVDLFFSONIKE-VGOFRKELSA-N 458.519 0.909 30 20 JCED CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1839642495 QZJRYEVHYMWEDI-HOYKHHGWSA-N 458.559 0.906 30 20 JCED O=C(CCc1ccc(O)nn1)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839651289 VVNRJPWQQDJHQM-YVABFXQFSA-N 457.487 0.283 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)[S@](=O)c1ccccc1)CCO2 1839671099 PFVNCYXFPQERRM-UBPJVXTGSA-N 462.568 0.677 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839988384 LSMRAZJDOZTQLT-IERDGZPVSA-N 456.540 0.768 30 20 JCED CCOc1c(F)c(F)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1840043514 DAXLXQQBQVNYOY-NRFANRHFSA-N 470.400 0.661 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)C1 1840157394 NSEHKRUSRUMGSH-HJPURHCSSA-N 477.583 0.542 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1840180875 YJDDCKQEPUKXEB-YADHBBJMSA-N 479.917 0.897 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1)c1ccc(O)cc1 1840221823 MENQWWTZSNZSLJ-ZJCBTPCYSA-N 487.553 0.408 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840292892 RMIVSNYFZQPMQI-HSZRJFAPSA-N 477.583 0.890 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCS(C)(=O)=O)C3)C2)cc1C#N 1840764200 NWKIPJCDHUHRMF-HSZRJFAPSA-N 493.582 0.850 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1840906576 FWGRPGAPNAAPFT-MZNJEOGPSA-N 489.525 0.835 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1840907519 XJVAAUNHLPXLAP-RNHFSVANSA-N 492.617 0.844 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840908600 COFQMEYRSJBZLJ-NYHFZMIOSA-N 477.518 0.102 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848128649 JHOQWRNGNJOGMD-QZWWFDLISA-N 475.546 0.483 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 9785935 ITZCEBBATSTLTD-UHFFFAOYSA-N 456.480 0.911 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n(C)c1=O 22815327 YGEINQMCEOQLGK-UHFFFAOYSA-N 477.399 0.164 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(C)c2)c1=O 501763261 AUWOZEVDJIOGRC-UHFFFAOYSA-N 498.605 0.123 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnc3ccccc23)c1=O 518743183 PQRWUPWDDNANEN-UHFFFAOYSA-N 452.536 0.760 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccncc3)c2=O)c(C)c1 603790247 VCYYWRGHWPKENK-UHFFFAOYSA-N 489.601 0.862 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608827936 ADUBZLKTJIVQHF-UHFFFAOYSA-N 492.557 0.662 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 608828859 NTTFMSHVXCNSHK-UHFFFAOYSA-N 488.525 0.551 30 20 JCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCNS(C)(=O)=O)c1=O 608913138 YAUDOXMSZZINIF-UHFFFAOYSA-N 474.608 0.329 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c1 729502407 HOYSZVDXDJAXSA-GDBMZVCRSA-N 458.558 0.732 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)ccc1SC 729672918 OFVSQNGBUJJMSF-UHFFFAOYSA-N 495.648 0.713 30 20 JCED Cn1cc(/C=C2/CN(Cc3ccccc3)C/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 844153530 WPBMMLCCAHEJKB-BJPQZVBLSA-N 489.532 0.033 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccccc2O)CC1 853706419 XHQCIMSJTCDVQA-INIZCTEOSA-N 472.523 0.823 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)cc1 918260814 LJRPNNAIYOYVDW-ITYLOYPMSA-N 472.527 0.379 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1297779542 SVMHYZNOBAMXTM-UHFFFAOYSA-N 483.602 0.812 30 20 JCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1459807030 XRXCTSDNSVVPIM-LJQANCHMSA-N 458.544 0.809 30 20 JCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1462957186 YRPYUBRTIUWCRI-OAHLLOKOSA-N 458.562 0.633 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1541674028 MEBMWBHEGIWEKT-SFHVURJKSA-N 486.602 0.834 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1611686980 PEUZSQXONDTGFX-AUUYWEPGSA-N 484.579 0.976 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1696825346 OYFYAKONIWAEIO-INIZCTEOSA-N 466.589 0.627 30 20 JCED COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1697076804 MVJCKRDCBXRRKX-KRWDZBQOSA-N 473.559 0.987 30 20 JCED CN(C)C(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1710971704 PHOSTFKVPJQBOW-HZPDHXFCSA-N 450.565 0.558 30 20 JCED C[C@@H]1C[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 1726470793 KAXWCZJWUBCQKZ-KONPQCLYSA-N 451.597 0.880 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@]2(CCOC2)O1 1726725582 MUNXMCBSXKLTHS-IERDGZPVSA-N 476.559 0.662 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1748288998 URUCKBDFKAUDPE-HNAYVOBHSA-N 482.563 0.579 30 20 JCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1750205024 JFOFLUMIKTZLLO-GOSISDBHSA-N 478.600 0.866 30 20 JCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1750206105 ZFIREWQEINLDJD-UHFFFAOYSA-N 457.560 0.262 30 20 JCED CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 1765497374 MGJHOBWMZJXREN-WIYYLYMNSA-N 466.590 0.794 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC 1768532058 SPLHOUPNYWTOTA-WBVHZDCISA-N 476.559 0.973 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778327429 PRSHPZCDVUYTTB-RTWAWAEBSA-N 453.467 0.253 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1779101548 RBTJPCIQIWOZKI-JGHJVLDESA-N 451.455 0.755 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779423194 IHOSIVQBIJTTBQ-BTYFDPGLSA-N 470.523 0.094 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1781169419 PAYZJLNFLSYMPY-IXFSTUDKSA-N 489.577 0.761 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)CCO2 1781269357 MQHDWEUMBKGXPX-DEOSSOPVSA-N 470.526 0.830 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)OC)CCO2 1783885296 YENYEXZFIAYYJN-QQMNAOGKSA-N 498.577 0.657 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785370620 ISRMYUSLISSZCR-QMHKHESXSA-N 478.546 0.967 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCNC5=O)[C@H]3C2)c(C#N)c1 1786261550 XZOREPYPKNRHML-BPXKWBHBSA-N 492.536 0.343 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)CCOC1 1786705747 ZVCRITVSFQLCCD-ACTFIFLWSA-N 450.536 0.954 30 20 JCED COc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)c1OC 1786859418 JFTYWUDJODLOAF-BQFCYCMXSA-N 459.547 0.974 30 20 JCED Cc1nn(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)c1F 1788657104 ZSZGYYOMAOSVLK-YDHPSYJASA-N 451.499 0.990 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676607 PNXAVHKOVDYKJS-GVEVQCCMSA-N 496.564 0.858 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)[C@H]2C1 1791194168 UDXOIYSCFKOKLK-SPOLIRPYSA-N 495.573 0.461 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1792452296 QBWBVBWAFHWEPE-RKGSWTEASA-N 495.617 0.767 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CS(C)(=O)=O)c(O)n1 1793366570 NBDZZHGROIXVPK-OAFZBRQQSA-N 465.572 0.790 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793435936 KJSZHBIFRATNEI-KCYAQADSSA-N 450.536 0.004 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1F 1793675521 IYTKPZKVDMIBQE-BQULAQKPSA-N 498.552 0.740 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794108834 QSVUGPRCFIPKCE-IHSNIMORSA-N 460.531 0.565 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccn2n1 1797382174 WDUWLQAZYIUAIS-AXVVYFOYSA-N 482.541 0.849 30 20 JCED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)NCc1ccco1 1797815654 SDKJDMJLRIMFID-KFAIEEKJSA-N 474.514 0.571 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798566064 RBTUYBVJQCVDCG-WOUAJJJCSA-N 460.527 0.612 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1799391253 KFWBVDLODUBCQI-XVMXLUHGSA-N 496.605 0.995 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1-n1nccn1 1799670399 MWRNLGBXDBVSRU-XEMDLRDOSA-N 451.531 0.752 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799744759 BNUWAFYFOJXIPP-LJGDNWOOSA-N 452.508 0.228 30 20 JCED O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1800282130 LPBKPFLJEIFPPM-UPHUGPLXSA-N 472.498 0.045 30 20 JCED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc([C@H](C)C#N)c2)CC1 1801766064 WNAPUHCRKCOXJT-RSZNVJGZSA-N 467.570 0.681 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1802124420 AHGLPIDHAPJCHE-XLKGFZLASA-N 450.536 0.004 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1802490207 QOWRGPJJIRBDES-IUVBQFQESA-N 460.556 0.523 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807027832 CDMJSRMFRHJASY-PGRDOPGGSA-N 487.453 0.763 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1808434223 ZXCPBVVPEYANAW-OXQOHEQNSA-N 457.487 0.149 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1808452049 NBJQAWFNNUCYRM-PGRDOPGGSA-N 453.499 0.854 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)CC1 1809600821 JDVNYYGOTHLUJL-UNMCSNQZSA-N 455.607 0.617 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2c2cccnc2)c1 1810354241 NRUWMWIRTDFUKX-OPJGWUQDSA-N 479.537 0.932 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1 1819454708 SFQFREVZNBQPEY-QCGYYOLFSA-N 466.495 0.995 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)CCN2C(=O)OCc1ccccc1 1829055437 LLBHYPBXEBDNHF-MTJJIEKYSA-N 497.577 0.874 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829055966 SZEXIXAUNOPXGK-IQGLISFBSA-N 498.536 0.393 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829124296 OBAZHXUJNPIAHF-HSZRJFAPSA-N 453.499 0.891 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2 1829630768 AVDSTQMMWLRIHC-HSZRJFAPSA-N 473.599 0.431 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2 1829636377 YFRSNLSEJWMHQI-QFIPXVFZSA-N 463.556 0.382 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056592 GZHWLPKTKXVBFJ-KSFYIVLOSA-N 468.551 0.532 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830659315 YUAWEXHGVWDESG-XMMPIXPASA-N 468.558 0.615 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C2)C1 1831421321 HZKRBWCYVJBYGL-AUSIDOKSSA-N 480.583 0.816 30 20 JCED CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)N(CC)CC 1831664065 OTCOCZNOYGDBNB-AUSIDOKSSA-N 451.612 0.845 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832869327 GANHPFDRVBXOEM-OAQYLSRUSA-N 450.561 0.510 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565880 WWZJCOHKQWOYQR-HTAPYJJXSA-N 496.586 0.497 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1833610095 HDWFHDKEQVTOFX-IBGZPJMESA-N 490.609 0.714 30 20 JCED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CN4C(=O)CNC4=O)CC3)CC2)cc1 1833679227 RKGLMPQMMZYFBW-UHFFFAOYSA-N 466.542 0.490 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1834776171 DKGLAMYZDFBDQA-WUZFSOLFSA-N 493.557 0.479 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834877681 HFNSZOJTNPMHFY-UHFFFAOYSA-N 452.519 0.195 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(Cl)nc4n[nH]cc34)CC2)CC1 1834958590 FWHXAQSALQDKDU-UHFFFAOYSA-N 458.906 0.885 30 20 JCED Nc1n[nH]c(CCC(=O)NC2CCN(C3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)n1 1835666510 KDHIVUBFQWRDEF-ZVHZXABRSA-N 456.551 0.603 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1835676819 BMJCOIYDHQWJAG-XMMPIXPASA-N 481.557 0.619 30 20 JCED C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835688938 HVQUSUBSNFGGAT-CBWPXHNPSA-N 458.563 0.810 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1835706024 HIICMPVCQCANPM-TUYSUELWSA-N 462.595 0.124 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1835731485 SSMDRWFBMAEKHA-KOEQRZSOSA-N 467.578 0.781 30 20 JCED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835739234 NXEZPLCQNMFADH-UHFFFAOYSA-N 465.668 0.324 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320432 CGJLOCRMUAJOMJ-SPLOXXLWSA-N 497.474 0.957 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320778 NYCDXCJLRDCVCQ-XCLFUZPHSA-N 483.447 0.554 30 20 JCED O=C1COc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5(O)CCCCC5)C4)C3)cc2N1 1836992296 HCXDZZRRBXFFRQ-SANMLTNESA-N 497.548 0.786 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1837444007 WHISQKOETKTXCS-FZUFRQSMSA-N 456.543 0.918 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837481263 FGZZMGVUGMRTDY-KBIDTTHRSA-N 456.503 0.446 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489536 MBVMJOUMAGGMIC-CVDCTZTESA-N 476.599 0.168 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837565724 YRTSJLJYBYLJHB-JBMWNJKUSA-N 452.471 0.740 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837674318 FHIHSMMGLUWZSE-OGPLKVJOSA-N 451.568 0.219 30 20 JCED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(=O)n5[nH]nnc5n4)CC3)CC2)cc1 1838023007 IGHROYLPQIXAFJ-UHFFFAOYSA-N 476.497 0.610 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)ccc21 1838737134 JSIXORZIQRIKDC-DEOSSOPVSA-N 478.509 0.461 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838758426 PGOHKFMKTQENRM-IIBYNOLFSA-N 450.540 0.904 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c1 1838907804 OIFOEGWXEPCZJX-XMMPIXPASA-N 474.477 0.345 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839082279 GNOPWMSSSMRAGE-KVWZVIARSA-N 472.542 0.556 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1 1839130831 WOYXKPQTBYXBKG-MHECFPHRSA-N 497.589 0.759 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204375 BPVLDWCGIWLILP-JTSKRJEESA-N 487.619 0.638 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1839669884 AYVMQGTYNVZOJN-QFIPXVFZSA-N 453.455 0.203 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839724186 MHWQKIRIAAGNIY-DQEYMECFSA-N 486.569 0.622 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)C1 1839807957 QECQLQGGRKASMJ-NLFFAJNJSA-N 486.569 0.794 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840008176 BFUIMUHICHMVTA-HSZRJFAPSA-N 478.546 0.785 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)CCO2 1840093044 IVXPCVSIYGCDOP-NRFANRHFSA-N 498.989 0.769 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1840218963 VNWLNKWETLBTEQ-FCHUYYIVSA-N 466.535 0.118 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840327240 YXLQUPPMJVQCCE-UUOWRZLLSA-N 489.573 0.715 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCN(CC)CC4)cc3)CCO2)C1 1840774123 NAUPHCDIQRAHQS-WXVAWEFUSA-N 498.624 0.937 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1840906954 MVKFAROIUOUJNT-NTKDMRAZSA-N 489.573 0.715 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3C)C2)C1 1840907240 RPHJGDBYIOMNJK-JPYJTQIMSA-N 476.530 0.970 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCNC3=O)C1 1842562844 UUZCCOVWHACPIH-HNNXBMFYSA-N 472.546 0.913 30 20 JCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1846369340 ATNLELXCZVIDMC-ZDUSSCGKSA-N 461.569 0.800 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)C[C@H](NC)C(=O)O)C3)N(C(=O)OC(C)(C)C)C1 1846449088 MRLPAHSVZQEBTJ-HOTGVXAUSA-N 450.536 0.818 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1847069715 RSHQLWPWEDGYJJ-HNNXBMFYSA-N 491.570 0.572 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 8774779 XQNSSADHFWYLSC-UHFFFAOYSA-N 468.488 0.859 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)Nc2sccc2C#N)c1 10773879 GSEFQQFCBIZKNU-UHFFFAOYSA-N 452.514 0.994 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 30664668 NWEYWQPDQNAEKJ-IRXDYDNUSA-N 486.616 0.263 30 20 JCED N#Cc1cccc(CNC(=O)CS(=O)(=O)c2nnc(-c3cccs3)n2CCC(N)=O)c1 488364431 CSBOCPXTIALUFM-UHFFFAOYSA-N 458.525 0.844 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 489636246 SJVAMWXLGMELDF-UHFFFAOYSA-N 476.549 0.940 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(F)c(Cl)c2)c1=O 502062603 IEQPWCPBUIIERA-UHFFFAOYSA-N 473.917 0.787 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 516047662 MBGSQQHHNYCJJU-UHFFFAOYSA-N 466.483 0.006 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 523079466 LVAPUGNOKUBJCR-UHFFFAOYSA-N 468.438 0.705 30 20 JCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O 589157226 NWVFAISODKNTDD-UHFFFAOYSA-N 468.514 0.623 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 603796237 BERRQUWRAPXQJB-UHFFFAOYSA-N 484.578 0.058 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O 608911394 DIQZKSZFCXRWJI-UHFFFAOYSA-N 468.457 0.070 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OC(F)(F)F)c2)c1=O 609074584 GXKBPUHTKWSEIL-UHFFFAOYSA-N 496.511 0.780 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1=O 680299648 PWMPLHGSXWZHNN-UHFFFAOYSA-N 460.512 0.727 30 20 JCED C#CCNC(=O)C1CCN(CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CC1 725772335 SLXCINTXOGFRHA-QHCPKHFHSA-N 453.499 0.829 30 20 JCED CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403433 KIBHFZIJEHPXPO-ASBBISHRSA-N 481.600 0.327 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC(=O)NC2CCCC2)C1=O 726403826 NOPLFHAYOGHLOR-AEKNLGIRSA-N 481.600 0.329 30 20 JCED Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cn1C 726769975 HWNVWLPOKIVZFY-CJLVFECKSA-N 468.561 0.458 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(c3ccc(OC)cc3)CC2)sc(=Cc2ccnn2C)c1=O 914565061 RSPGTVKKKQXDPM-UHFFFAOYSA-N 490.589 0.690 30 20 JCED CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1190569889 ZBRHHGZXFUJJEH-UHFFFAOYSA-N 451.368 0.870 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 1294415195 WFFYGSGBUANJLQ-WBVHZDCISA-N 456.590 0.192 30 20 JCED COC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCC(C)CC1 1517939700 YBNXNTVLYWDDNI-UISNHOIMSA-N 482.607 0.935 30 20 JCED COc1ccncc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1518543714 XQPYFPQEHTUBNM-YOEHRIQHSA-N 460.564 0.517 30 20 JCED N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)nc1 1636787305 ZJPALFWOCVCVRZ-RDJZCZTQSA-N 450.904 0.926 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1692786576 VPCRSIBNTDQDFY-AUUYWEPGSA-N 484.579 0.923 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(-c2ccccc2)c1 1692799062 FFQGCCWQFIJFBA-YJBOKZPZSA-N 456.532 0.851 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)CC1 1706003396 YDNKBYDVKGNHHE-UHFFFAOYSA-N 466.590 0.749 30 20 JCED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1708149541 OFNQJPPTFOPYOT-MRXNPFEDSA-N 489.627 0.862 30 20 JCED COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1711885189 MNNLAQYEMYPDKJ-KRWDZBQOSA-N 450.521 0.486 30 20 JCED CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1728209459 XACHKPIQIQBZCB-HNAYVOBHSA-N 453.569 0.267 30 20 JCED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CC1=O 1730776383 KCPJGKAMXACSME-LJQANCHMSA-N 451.531 0.980 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1741133156 ORPALURAXCSARN-CABCVRRESA-N 455.585 0.369 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCC[C@H]1C 1761498629 VKNJCORMGNBHLX-MSOLQXFVSA-N 487.634 0.966 30 20 JCED N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1771537282 LMMXHJHLQIWCOS-KRWDZBQOSA-N 463.589 0.371 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1778105254 QNMHOPKTVGIYED-DAVGIZICSA-N 452.552 0.896 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)CCO2)C1 1778969901 BOKIJTZPNDDLRA-QZMQVMSPSA-N 469.579 0.929 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1 1779105139 RAYJWMOWPVFROF-NNSWWULUSA-N 493.582 0.992 30 20 JCED CN1CCN(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC3(O)CCCCC3)C2)CC1 1779395052 IGKDKJJISAIPDK-RCZVLFRGSA-N 474.646 0.836 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779423063 CFUFSMPOMFYZII-WHDIMNPESA-N 450.536 0.720 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1cccnn1)C2 1779428753 PSNKSVADLWMELG-YNKUXIDESA-N 461.519 0.898 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C1 1780692232 JMCYMMXELKDYNK-YGKZAACZSA-N 465.547 0.980 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1781167931 LWNSANAORYJQOC-GGUMNFRJSA-N 476.574 0.792 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c1 1781966070 FSGDDXBQOZLJBB-QHCPKHFHSA-N 462.441 0.858 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1782013296 BVAFMFHAEUFICX-QVKFZJNVSA-N 459.411 0.539 30 20 JCED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1782184705 AXDBNHVQMPHEAF-WAWZGNHOSA-N 452.602 0.724 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873123 GTNOGKSOJVINOY-RGKFVRLKSA-N 490.626 0.765 30 20 JCED C[C@@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782873835 AYJYMBRISVEBAX-FTJBHMTQSA-N 492.532 0.318 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1783197296 VPYTZHQMLQJIAR-NRFANRHFSA-N 496.536 0.883 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1783268639 MIWJYCZECQQEMS-HOOSLVGPSA-N 490.605 0.257 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C[C@H]2OCC[C@H]21 1783567444 PLKRVPGVFZLBEJ-UTBIRPSLSA-N 491.541 0.319 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)O2)C1 1783576322 XVLXCMPKPDEAMF-XSLAGTTESA-N 491.541 0.223 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCO2)C1 1783732138 OZKFBILUWQTKRB-UUOWRZLLSA-N 488.541 0.135 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783982023 BPPSHCKXFLQVIK-XOBRGWDASA-N 490.479 0.411 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2)c1ccc(O)cc1 1784020859 BNYDRLROVKJKHC-KJWPAHLWSA-N 471.554 0.870 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1)NC(=O)OC(C)(C)C 1784601992 VDIKNEHWCBGZMA-DRSNIGMVSA-N 477.566 0.924 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1784784288 HGSVNOZEPIVQAJ-XSLAGTTESA-N 480.562 0.888 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)Cn4cc(C)c(O)nc4=O)C3)C2)c(C#N)c1 1785354027 LSEQKCMFLUKMJW-DEOSSOPVSA-N 481.509 0.210 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1785517425 IHLNFILXEMUFPO-WAIKUNEKSA-N 478.546 0.967 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21 1786860145 WFRTVERRQMWQEB-VCOUNFBDSA-N 468.602 0.645 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)N4CCN(C)CC4)[C@H]3C2)c(C#N)c1 1789798141 NALZICACYFOAKK-KUHDOKTFSA-N 483.613 0.725 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1790695755 JICDDRZERHQJEP-TXTZMMAHSA-N 496.655 0.065 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1791108123 MMZBWFAQLRHPCX-ADHGMGHFSA-N 464.563 0.886 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791333369 QCWXKZLMVOVZFN-DQKQSUEQSA-N 457.593 0.656 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC)[C@H]2C1 1791474710 GQFIJUKXIZDNEN-NXOAAHMSSA-N 468.551 0.792 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Br)cn1)C2 1792484649 UVXOSPZIYPVPAE-VQICEPBWSA-N 477.359 0.835 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)C2 1792489788 SJOMBXYFLYEMBZ-KOVVAMBWSA-N 470.482 0.591 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1792489836 YYARAKBTKQAQNL-KUIZXIRVSA-N 472.454 0.385 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1793600156 VZXFYAHAOZBWSM-JYYAWHABSA-N 480.591 0.956 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n(C)n1 1794328276 XMQFYAKSKXULTG-KRXQYRFLSA-N 461.519 0.246 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795584654 RQAWRIMQDWFGNA-INLMFVPISA-N 497.593 0.347 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796384749 SBSCUJCJRYLNNT-BTTYYORXSA-N 450.517 0.599 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C 1796393234 YCUUCRBGKBAHLC-SFNKJDCFSA-N 483.562 0.625 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1-n1nccn1)C2 1797814822 ACXRMALNOJWBHU-IQQHRWIYSA-N 468.514 1.000 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799745068 PMJLLTCMZCLIDQ-QXGSTGNESA-N 476.505 0.786 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CC(=O)NC2=O)C3)cc(C(F)(F)F)c1 1799784203 VJYCZZOXJGKUSD-ZSBFGKGUSA-N 479.415 0.332 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778820 HYGZAZSDPIHRSB-GHPQEMMVSA-N 461.515 0.452 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)n1cnnn1 1800906793 HDACGBFLRYHUGO-ARKGTOAJSA-N 497.622 0.425 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C)C1)NC(=O)OC(C)(C)C 1801561492 FUFSHQCPPMVVDO-AJYBTWMASA-N 450.580 0.997 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1802140795 KYIYXLSQOSJNJL-QZPIAUJRSA-N 497.614 0.623 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)ccc1F 1808551679 ZIFNWBMEVHSEGK-XWFZLUIHSA-N 478.484 0.939 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C/N=C/c3ccco3)[C@@H]2c2cccnc2)CC1 1810393709 VXUZBFSIRZSZSU-MRDKPXSTSA-N 480.569 0.964 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)c(=O)nc1O 1814038482 ABDLDIFRXFAIJI-ICSRJNTNSA-N 481.557 0.640 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)NC(=O)OCC)n[nH]1 1819242728 ZKHXJYHENTYIFR-KBXCAEBGSA-N 451.480 0.976 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN(CCO)CCO)CC3)ccc1F 1822966335 NQULFAWFRIOPTN-MRXNPFEDSA-N 475.546 0.595 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1824491466 SJERVAURKXZOMC-MJGOQNOKSA-N 498.584 0.092 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825660692 RRULNTLSTMPTIW-AWEZNQCLSA-N 482.518 0.924 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC([C@H]3CCCCN3C(=O)CCC#N)CC2)n(C)c1=O 1826687712 YXDAPZXFTGXCSZ-QGZVFWFLSA-N 469.546 0.357 30 20 JCED COC(=O)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828834310 FAWAHCHWTRYBRR-XMMPIXPASA-N 485.493 0.480 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCN2C(=O)OCc1ccccc1 1829018338 SOMKKZSDQQRZDJ-HSZRJFAPSA-N 465.514 0.539 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCOC3=O)C2)C1 1829260496 QVYYVTWQPMBZPL-HSZRJFAPSA-N 454.483 0.524 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCN2C(=O)OCc1ccccc1 1829261094 OPLCGXYXVRKLPW-AUSIDOKSSA-N 473.551 0.649 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C)n3)C2)C1 1829764276 JCBQHZNOJGYEIA-NECUJFQYSA-N 456.543 0.637 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)O2)C1 1829847279 IHOYRBMDHIXNOD-MHECFPHRSA-N 492.573 0.915 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829903126 IWOKLIFCURVUOK-SBUREZEXSA-N 457.531 0.265 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1831392402 DHLOXXFKWSKWKW-KUHUBIRLSA-N 456.421 0.604 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1831498678 OPNWZYHAPRDBCG-QAPCUYQASA-N 461.631 0.258 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1832000516 RLUFKKXBQVGHDK-CDXSOPQDSA-N 479.574 0.805 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCc5cnc[nH]5)CCO4)C3)c2c1 1832812742 CSKNWEZXPUGNQZ-QHCPKHFHSA-N 463.498 0.860 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3C(F)(F)F)CCO2)C1 1833325040 ZOJZEGNIFMKDRP-KUHUBIRLSA-N 458.437 0.547 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n(C)n1 1833438943 VXIIZFTUVZKWDK-QHCPKHFHSA-N 453.499 0.613 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C(=O)OC)CC4)C3)C2)c(O)n1 1833699677 IMADSNFXSHFBIG-HSZRJFAPSA-N 473.526 0.929 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835358942 NPALIMAJAOGLCN-KKSFZXQISA-N 454.524 0.022 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835678008 UMDMNJZMWXGVLE-QFIPXVFZSA-N 478.619 0.690 30 20 JCED COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1F 1836237033 HDPACEGRGOQUAS-DEOSSOPVSA-N 475.517 0.998 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1)c1cccs1 1836520582 MSSUCONUSVJVEO-YEFOHOTDSA-N 459.528 0.625 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)c1ccc(O)cc1 1837367463 ZMJHLBVKNCCCID-UUOWRZLLSA-N 468.510 0.222 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837440834 AKYAXASDXMTPRY-NHMXVPMISA-N 472.546 0.582 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837499182 FCZXEWQYDRSFEI-NZQKXSOJSA-N 473.482 0.123 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1838330587 ALSDLLMRWPFQGR-UPCLLVRISA-N 478.509 0.586 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838605154 QWPADNNXPIVSTC-WAIKUNEKSA-N 471.514 0.961 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(Cl)c5nncn5c4)C3)C2)c1 1838736933 BWTZSYKUTWDMRO-OAQYLSRUSA-N 469.889 0.966 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C[C@@]45C(=O)Nc4ccccc45)C3)C2)c1 1838741980 KIRXGWFXZRNPGN-WDNCENIBSA-N 475.505 0.866 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1 1838758918 QWPGPAHRAJCMJV-XMHVBLFMSA-N 461.567 0.575 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN(C)C(C)C)C3)C2)c(C#N)c1 1839133499 SXFSFHPRDVDCQZ-DEOSSOPVSA-N 458.559 0.906 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1839223071 LCIOORWYWJJYDN-IERDGZPVSA-N 451.524 0.993 30 20 JCED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)cccc1=O 1839362375 NUGYWCSHAHAHCJ-XMMPIXPASA-N 450.495 0.835 30 20 JCED CN1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487343 CGZWPYDLCOVSBA-WMZHIEFXSA-N 452.515 0.599 30 20 JCED CC(C)(C)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488116 YVZQTVXREZHANL-HSZRJFAPSA-N 454.531 0.893 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)COc5cccnn5)C4)C3)c2c1 1839488683 BRQHZMPSTHLMBX-QHCPKHFHSA-N 477.481 0.374 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)CCO2 1839787187 HHKBCBPAIGQFNI-UZQCKINESA-N 490.488 0.591 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1)C(F)(F)F 1839893684 JPZFTXCRIGZSHU-FQEVSTJZSA-N 497.430 0.867 30 20 JCED CC(C)(C)OC(=O)N(CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C1CCCC1 1840041803 IWOGJZHGTKBBOI-DEOSSOPVSA-N 493.557 0.711 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044003 HIVHCXFALVPVPX-UZUQRXQVSA-N 479.530 0.320 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1840157727 YPJYLKWBYLKDMO-GEQKSPFYSA-N 461.584 0.810 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1)c1ccc(O)cc1 1840219772 DIBOZDSOPQSAFR-QYXIYQDXSA-N 469.538 0.624 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CN(C)C1)CCO2)c1ccc(O)cc1 1840572716 NQQQEPOMAZKJGT-CJFMBICVSA-N 455.555 0.907 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)O)C2)C1)NC(=O)OC(C)(C)C 1840796771 PBYQJNNEQOWVBN-JKSBSHDWSA-N 455.552 0.683 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)C(C)(C)C 1840818729 UNIADMXQWSBVGI-RDGATRHJSA-N 486.569 0.944 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819994 SEDVOUKTFRTJPS-WZONZLPQSA-N 468.514 0.321 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840843469 RMMPDADKIDNDQC-HTAPYJJXSA-N 453.536 0.132 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1840906444 BTZIWMYKULJGNF-CYFREDJKSA-N 489.573 0.715 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCC)C2)C1 1840909205 OKMXHSPEZBNELW-VGOFRKELSA-N 453.536 0.396 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OCC)C1 1844155993 FSCYSLYPMFFEGS-GJZGRUSLSA-N 454.524 0.724 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)CN2C(=O)C=CC2=O)C3)CC1 1845137735 FEOIIQQZFQKMEN-UHFFFAOYSA-N 485.541 0.656 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2nccn2)C1 1845265570 NGGMUIMTNJCGNG-MRXNPFEDSA-N 491.549 0.287 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2C(=O)OCc2ccccc2)C1 1847002814 ZUTPDXHFSKKQTP-ROUUACIJSA-N 455.467 0.050 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CN 1847685047 XZJQQGYAWQMGAC-MUGJNUQGSA-N 470.574 0.482 30 20 JCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 21710254 SWCOFBSBHFPEGC-HKUYNNGSSA-N 461.519 0.700 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CCNS(C)(=O)=O 524281477 ZMZPWDWURANGGG-UHFFFAOYSA-N 488.616 0.479 30 20 JCED N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)ccc1F 557731950 YYNDADNJJSUGIQ-UHFFFAOYSA-N 487.469 0.500 30 20 JCED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccn3)c2=O)c1 603495494 KBIBBOQVHVWUJK-UHFFFAOYSA-N 475.530 0.614 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O 608911293 ZBILOEBVFXABKQ-UHFFFAOYSA-N 455.359 0.248 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 608990021 HXNVIBMCTQLOPT-UHFFFAOYSA-N 470.555 0.719 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 642375331 UFWWNLDKLIEZPG-UHFFFAOYSA-N 464.569 0.761 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@H]2CCCN(C(=O)OC)C2)C1=O 726404544 ZHPLSAZOJGFTCC-OMEJUNCISA-N 497.599 0.501 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727221300 LAGIOJTVYKHILT-DYZYQPBXSA-N 453.297 0.879 30 20 JCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 728570442 CQVHDAZCKQYZJR-GOSISDBHSA-N 451.527 0.904 30 20 JCED Cn1[nH]c(Br)c2c(=NCCNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)ncnc1-2 729459270 LCVGRWATRDWQRG-UHFFFAOYSA-N 492.359 0.514 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCS(C)(=O)=O 729671390 LNFFPJDBRWKMAY-UHFFFAOYSA-N 461.609 0.909 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCS(C)(=O)=O 729673367 LRTHNCSYQJIGAC-CQSZACIVSA-N 476.576 0.859 30 20 JCED NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 748343373 GAOSSOKBXPGCHR-INIZCTEOSA-N 464.544 0.695 30 20 JCED Cc1ncc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(Cc3ccccc3)c2=O)s1 917777021 PFQRTPBCCMYVDO-UHFFFAOYSA-N 495.630 0.675 30 20 JCED CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 918639343 AFAQQQHVLQDHLD-HNNXBMFYSA-N 456.590 0.826 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(=O)N(C)C)c1 1303867603 QYXKDTVEFATNGV-PBHICJAKSA-N 461.548 0.367 30 20 JCED CSC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCN(C)CC1 1505194132 YLFLMFWQAROSFX-HZPDHXFCSA-N 454.622 0.736 30 20 JCED CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1541049590 UVKBNSNCPSCAPV-UHFFFAOYSA-N 487.586 0.869 30 20 JCED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H](C)O1 1555389636 RDGBMGUHSRICTM-LPHOPBHVSA-N 475.571 0.997 30 20 JCED CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1614013443 SYRMBXWYJAWSED-QFIPXVFZSA-N 458.588 0.974 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CCO1 1690958692 ZYDSYMYOWDPLIX-FQEVSTJZSA-N 472.571 0.983 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CCC1 1692662804 IOTRBVYHBIIJGG-WBHWENKQSA-N 458.610 0.651 30 20 JCED CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1762056271 QUZWFMGNKMZBDO-IBGZPJMESA-N 494.600 0.712 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCC(=O)N2CCOCC2)cc1 1771534153 PDJUABYSOSRKPN-UHFFFAOYSA-N 458.544 0.546 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1779100181 UECDQEUPARRSHP-AIBKJFCZSA-N 450.536 0.748 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCc3nc(N)n[nH]3)C2)c(C#N)c1 1779241638 ZIQBUACBUHQVBB-NTKDMRAZSA-N 481.557 0.956 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779953709 LFMKWVIWVSYBAF-IQTGRTGDSA-N 455.496 0.912 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1781189581 ZYUGNJUOERIZCV-YTZAWJCFSA-N 495.573 0.701 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)c(I)c3)C2)C1 1782126882 VZMLYYVUDRASJG-SFHVURJKSA-N 484.246 0.528 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782788565 ZMRXHMJHWTYYFO-NRFANRHFSA-N 462.459 0.096 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c(O)n1 1782954222 CCHFFOMSUUSRAL-XMSQKQJNSA-N 463.556 0.927 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)[C@H](C1CCOCC1)C(=O)N3)CCO2 1783564846 NOFIXSWBACSVSI-WIOPSUGQSA-N 481.505 0.680 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3I)C[C@@H]21 1784484928 FYBBMPRLUGASNT-ABHRYQDASA-N 486.310 0.646 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784914815 HDXMDROPSWBGBF-ANMJRHRBSA-N 466.432 0.793 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)NC(=O)OC(C)(C)C 1785304493 HYDHOZBNKLGIHX-XAEMIUIASA-N 498.577 0.740 30 20 JCED COCCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785379260 SHYFMYDXZRDJSH-HSZRJFAPSA-N 453.499 0.924 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1785383831 ZPXGLHPUSKQZBG-QFIPXVFZSA-N 453.455 0.342 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N(C)C(C)=O)CCO2 1785574824 TZBAHRGFJTXMJB-QSAZIKIQSA-N 464.563 0.600 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1785624805 VKUIYGUNARMBHL-UUOWRZLLSA-N 491.589 0.572 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1785728346 JIJKCQRLIUHZAE-MHECFPHRSA-N 493.605 0.734 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)[C@H](O)C1 1786693475 ZYNOMZYPILMFKQ-FKSLSLAPSA-N 476.574 0.888 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC)NC(=O)OC(C)(C)C)[C@H]2C1 1787468164 AIOHMJTYPJTMJL-SPOLIRPYSA-N 467.563 0.544 30 20 JCED Cn1c(=O)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)c2ccccc21 1788139967 IQYYQXIVVUJJAQ-FIKGOQFSSA-N 462.510 0.833 30 20 JCED CCOC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)CC1 1788660816 NXLZSSHAQAXLTJ-CZNLGSPVSA-N 451.520 0.838 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCCS4(=O)=O)C[C@@H]32)ccc1F 1789907671 LMQFGGYBMGFTHH-LWCVALJOSA-N 463.531 0.797 30 20 JCED CC(C)[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)NC(=O)OC(C)(C)C 1791185508 WBIFQIJRNNTLEC-FJIDUMEYSA-N 465.547 0.994 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@@H]21 1792255775 VAVFUNWCGCMTTF-FJIDUMEYSA-N 485.603 0.317 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1792256703 HRBVBVONVVRUGN-XSLAGTTESA-N 460.535 0.174 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792582684 DUOHBKNJEGKITD-ZFVIQDPVSA-N 498.580 0.973 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1794405106 WIKOTZJOUWHLGC-GQKLUMADSA-N 477.587 0.301 30 20 JCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1800545602 FJJWDXQIALPYCJ-MIFYACCESA-N 454.499 0.693 30 20 JCED CC(C)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1ncc(Br)cn1 1800774142 QPDYBBANSVKBJY-DRXBFXEBSA-N 465.304 0.194 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1802126913 CUJUDDKWETVWKC-VWFIUDSGSA-N 487.557 0.621 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1808454068 BPSJKNJKERHHJE-UZLBHIALSA-N 466.498 0.800 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1828989520 XPBSLUFJFBPYQW-DEOSSOPVSA-N 487.557 0.031 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1829263375 YCPVZMYXZZSRGW-TVVUZDRGSA-N 497.577 0.874 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1829342265 IBSCJSUPTDHTFE-YHEJKZAPSA-N 476.555 0.865 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3scnc3C3CC3)C2)C1 1829764799 VXBMDQRVKKEMAZ-QJKPHDSHSA-N 460.556 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(=O)OC)c3)C2)C1 1829768548 ARBULAKXAHFYFJ-WEHRJKGCSA-N 486.525 0.793 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CCCO4)C2)C1 1829773725 RYQMPSJLHBOMSW-CNXHMKESSA-N 469.538 0.940 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)O2)C1 1829847277 IHOYRBMDHIXNOD-KOSHJBKYSA-N 492.573 0.915 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5nncn5c4)C3)C2)cc1 1829903287 NVLJYCFTDPXJQF-DEOSSOPVSA-N 460.494 0.914 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)c1 1830458622 VCNHINGDBZPAGT-QHCPKHFHSA-N 451.483 0.757 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(F)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831391467 CBPQMVLKEZFXQK-PUZWTLIVSA-N 497.564 0.830 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1831396735 QIKWKBZDJFCLNG-VFNWGFHPSA-N 461.906 0.491 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1831438252 NIFJAPHFIYLDQS-KPCPBYSCSA-N 491.560 0.920 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1832111780 PIFYELLOQHSOCB-IIBYNOLFSA-N 487.619 0.523 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OC)c(F)c1)CCO2 1833485856 XWFCEICXTVCASG-QFIPXVFZSA-N 465.478 0.809 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833613891 XHBFKKDWLKOAHF-UHFFFAOYSA-N 472.590 0.155 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833614447 GGNLTMCHRNINDH-DVECYGJZSA-N 474.558 0.579 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N(C)C)cn1)CCO2 1833644250 KHWYKYWMXJIPFD-XBKFQHLESA-N 457.531 0.076 30 20 JCED COC(=O)CSCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715442 FQLNVCNBDCEMGX-UHFFFAOYSA-N 467.636 0.746 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834766126 YQOKXYQGHSULQT-ZHRRBRCNSA-N 482.534 0.203 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1834767739 QYEHJHVDUODWCJ-SKPFHBQLSA-N 486.525 0.128 30 20 JCED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1835239712 DYEIDDNJFZLUGT-QFIPXVFZSA-N 450.919 0.811 30 20 JCED NC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccccc1 1835816717 LIPFGQROVILGHI-QPFFRQHJSA-N 457.575 0.657 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)cc(C(F)(F)F)c1 1836138907 BWOIILRIUGQGDJ-FQEVSTJZSA-N 478.431 0.939 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)CC2)CC1 1836362067 HVYRVMYCHJINOE-QWURRGBTSA-N 485.629 0.817 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836811166 GYDKZNWFTMQFFY-WUKOTQDVSA-N 455.519 0.500 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836844888 KGQRHAPEAQSZCR-HNNXBMFYSA-N 465.576 0.826 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3[nH]ccc3n1)CCO2 1836902736 PATUXPYUHJWOOR-UZQCKINESA-N 453.499 0.491 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc4nncn4c2)CCO3)c(C#N)c1 1837019243 PBJRUXAYVXXRBB-RUZDIDTESA-N 490.520 0.922 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837297071 OJSVVIYBXLYMHX-NLSFWIRASA-N 474.514 0.978 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1OC 1837491204 VYUWTCQBTXYZGZ-RUZDIDTESA-N 487.553 0.867 30 20 JCED Cc1nnc(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)s1 1837524180 BELAQPBRHRBMCJ-YITPPGKRSA-N 481.575 0.765 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)cc1 1837791611 VHOKNEHZNFONAS-NRFANRHFSA-N 454.443 0.502 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(C)(C)C)n[nH]1)CCO2 1837987438 VHLDJGPEJJPNAF-FUMRIQNTSA-N 459.547 0.636 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838115789 NRROSSBCFFQIPP-WNWNSBFKSA-N 480.525 0.196 30 20 JCED C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733009 JEFSQXRCQRPINL-UZUQRXQVSA-N 452.515 0.962 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)cc2NC1=O 1838737947 HAVVZSVAMXDQNF-MYYSRTQBSA-N 479.493 0.990 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc5ncnn5c4)CCO3)C2)c1 1839049451 ZAGQMWVNEHRRIM-VWLOTQADSA-N 490.520 0.922 30 20 JCED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186731 LSCWWQOOVXXQLA-HSZRJFAPSA-N 460.506 0.565 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839387919 ZTCHWIPWFHZHJT-WZONZLPQSA-N 492.504 0.610 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(CO)on5)C4)C3)c2c1 1839489076 OPYZJUIGDVDKNO-JOCHJYFZSA-N 466.454 0.299 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839560369 MGCMADJIPSUHPH-QHCPKHFHSA-N 454.531 0.686 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1839839673 JCTHQAIXSWDYBW-IERDGZPVSA-N 451.545 0.767 30 20 JCED Cc1nc(-c2ccccn2)sc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042084 YYYZHAMYDKVLAW-QFIPXVFZSA-N 470.507 0.672 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c([N+](=O)[O-])cc1O 1840162467 YEQCQQBJWPACHC-BUXKBTBVSA-N 455.489 0.697 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840164936 TVGGXXPCTOZCBX-YUWJWYLASA-N 473.592 0.131 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cc1ccccn1)CCO2 1840330671 LTKUZLQHJOPQNS-PLKRASQRSA-N 456.543 0.575 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(NC(C)=O)c1)CCO2 1840728005 GHZPQWDMWWWAHN-IBLIISRWSA-N 470.526 0.573 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncn(C)n4)C3)C2)cc1C#N 1840762579 FIFGCXVOXBGLIF-HSZRJFAPSA-N 468.514 0.858 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840783010 PJJIBOKMZIIXLA-XXBNENTESA-N 450.507 0.961 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1840795609 SFOWKYYENQLNKM-NXMSCROESA-N 494.589 0.438 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1840845447 XQHLVAMLOCNMKJ-OAQYLSRUSA-N 453.511 0.815 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840908985 KRLFXKHYMBBJCH-NYHFZMIOSA-N 477.518 0.102 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1846561203 AXPSWPGGBDIXGN-HXUWFJFHSA-N 452.490 0.914 30 20 JCED N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CC1 510992591 UFIPXKXEUXHYBW-GOSISDBHSA-N 455.496 0.651 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCC(=O)OC)cc2)c1 603972829 WTRDUQPRQYQKCE-UHFFFAOYSA-N 467.525 0.855 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 608912887 IDRQOUSSOKUVFH-UHFFFAOYSA-N 498.542 0.753 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)NC3(CCSCC3)C2=O)CC1 609101986 JAZJZJIRKKKKQD-UHFFFAOYSA-N 477.568 0.209 30 20 JCED CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)c2=O)cn1 726180988 SLGPIYLCCFFORT-UHFFFAOYSA-N 450.436 0.821 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccccc2OC(F)(F)F)c1=O 727164567 QMMSVYWQGRVZAT-UHFFFAOYSA-N 458.443 0.384 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)CC1 728533938 DFWZXVBAQNPORB-UHFFFAOYSA-N 451.453 0.586 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCS(C)(=O)=O 730801719 IQBMNENIKSBUQS-UHFFFAOYSA-N 453.492 0.038 30 20 JCED NC(=O)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(Br)c1 746807931 FVQZIOPWUCPDLE-HNNXBMFYSA-N 451.302 0.830 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)Nc1ccc(F)c(F)c1 748575996 QEJWZGVWZGLAQR-UHFFFAOYSA-N 466.422 0.301 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCCSC 839368897 GXHOJMZNXBBVJQ-UHFFFAOYSA-N 463.629 0.669 30 20 JCED N#C[C@@H](C(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917012715 CDVPPMUQWNYQOZ-KRWDZBQOSA-N 468.470 0.817 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(C)(C)CN(C)C 1288863906 UNPVILQEYUGXDP-WBVHZDCISA-N 452.629 0.653 30 20 JCED CC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 1309021520 MERBNJZFGSMGJW-QGZVFWFLSA-N 456.590 0.760 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CCc2ccccc2)n1CCNS(C)(=O)=O 1494137635 SIARHUNZHDVHRW-SFHVURJKSA-N 495.613 0.989 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC(=O)N1C 1494468795 OAQXZDFFCSCMMD-HNNXBMFYSA-N 458.544 0.973 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)N(C)C)c1 1596831229 KOGALKGSIRAGGO-APWZRJJASA-N 489.602 0.957 30 20 JCED Cc1cccc(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1612246903 IODSFRCNCQPZJU-SFHVURJKSA-N 459.576 0.891 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1=O 1619927563 JICVVKOBNFTEGG-IEBWSBKVSA-N 472.571 0.935 30 20 JCED CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1708823334 KKCNYCPFLJWZGA-QZTJIDSGSA-N 481.623 0.339 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1727225992 VMXBGEVAYRXXLR-QFBILLFUSA-N 492.650 0.655 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1729222637 RGXCYLMAZWAPPW-UHFFFAOYSA-N 467.559 0.873 30 20 JCED CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1729312251 VLZSLXNDLLTHRL-KRWDZBQOSA-N 461.548 0.207 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1730763332 UXVQYDLNSIGZHE-SFHVURJKSA-N 454.535 0.876 30 20 JCED CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1731013858 BVTWKUAZVTUDIQ-UTKZUKDTSA-N 460.560 0.734 30 20 JCED Cc1cc(C)n(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)n1 1742723461 YMOXHNRUPQKMCC-FXAWDEMLSA-N 480.570 0.957 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1769152754 POUNIATWIVUYCO-UHFFFAOYSA-N 464.530 1.000 30 20 JCED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1777735901 XJKFQWBRKJIKMP-WZONZLPQSA-N 467.530 0.607 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778088512 QYHJBJSQZYPOLT-WAOWUJCRSA-N 457.593 0.517 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4cc(C(F)(F)F)ccc4n3)C2)C1 1778531777 MYXDUGNQEWTFSU-IBGZPJMESA-N 450.373 0.885 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778576690 XURJHSOAZUWGGQ-HSZRJFAPSA-N 457.483 0.970 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)CCO2)C1 1778969897 BOKIJTZPNDDLRA-HKARXFIJSA-N 469.579 0.929 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779364517 WMGVFVLPOQDOMS-ZNUZEINGSA-N 452.625 0.456 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1779471489 GWGZWOHOTSDILR-CVWUUQBFSA-N 482.541 0.821 30 20 JCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)Cc3cn4c(nc3=O)SCC4)C2)CC1 1780543456 SQIPSVZAYRAMSP-OPAMFIHVSA-N 457.556 0.709 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1780739557 NQRIYPOQUACLKM-VGOFRKELSA-N 494.570 0.475 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1781047266 QNAYQSOCIYQREO-DYXSILKMSA-N 453.536 0.382 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4C[C@H](O)CN4)CCO3)C2)CC1 1781170038 LHDKEYSIVVZVJG-XFAGBWLFSA-N 491.589 0.080 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)CC1 1781170170 SLKJKHVICQJKAB-QHCPKHFHSA-N 477.562 0.623 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)N1CCN(C)CC1 1782199807 YRCQLWLCIGFRKU-OSPHWJPCSA-N 465.558 0.514 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)(n2ccnc2)C1 1782861990 NSIISKDORFWCJG-GOTSBHOMSA-N 472.546 0.963 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C[C@@H]21 1783531530 VSDVZFNQMUPTOH-XTUWLFETSA-N 486.544 0.782 30 20 JCED Cn1nc(Br)c2ccc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cc21 1783562998 VARDKZMKBGIIOJ-HXUWFJFHSA-N 475.299 0.867 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783682019 UPUYVKPZGJCQTH-ATIWLJMLSA-N 464.563 0.886 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1783925897 JIOMVGMKEJNOQR-ARMKIQIJSA-N 450.513 0.933 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4CCC(=O)N4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784086351 KCMFWVOVDOKOMH-QQMNAOGKSA-N 462.547 0.661 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)OC)[C@H]2C1 1784513704 GNGMARMKFHJXLM-XSLAGTTESA-N 497.614 0.789 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)NC(=O)OC(C)(C)C 1785303724 HHBZXXPXZZNQDW-QQMNAOGKSA-N 481.594 0.269 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1785572700 ORFZRQVRFKUAGJ-JTSKRJEESA-N 490.517 0.538 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@H]2C1 1788470092 WRIOAUKTGOFNQM-YUAHOQAQSA-N 498.577 0.500 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1788573123 WIFSNQMSBDWDCT-RPZLJYRGSA-N 495.617 0.910 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)c1 1788656587 QQXPAKZDBKXZKB-JBCHLGLVSA-N 494.570 0.607 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21)N1CCN(C)CC1 1789794833 DLDUPJWOCQJORY-QGQQZZQASA-N 453.587 0.716 30 20 JCED CCN1CCN(c2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)cc2)CC1 1791079318 JBJNMSCGXBPEIU-BVSLBCMMSA-N 468.554 0.510 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1791540025 HXZYZBYZMALJSP-WJMWBRGCSA-N 461.563 0.419 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792137050 SIEYTOQIYWQGOL-GVVDHYSOSA-N 468.554 0.839 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1792145702 HWUMTJPBNQYEGO-WFXMLNOXSA-N 466.494 0.940 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792147170 JALZUSRRMNLFIU-MEZWHVQBSA-N 488.541 0.760 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)[C@@H](O)C1 1792451849 REWWCGFGMUQXMF-MDMSPXHWSA-N 462.547 0.498 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792777347 FJSATSYLLYAXQC-YSWKBACZSA-N 459.543 0.347 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1793083085 YCNQGFHBBQHQAH-NBMJBFSESA-N 473.530 0.725 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793262014 OJOZRCLWMLAKFR-VQQMMKBISA-N 490.601 0.751 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794093516 LHXGRRRIUAOTGJ-RDGPPVDQSA-N 496.630 0.272 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)(C)C 1795570350 VLLZQPXUSLNKAJ-SFNKJDCFSA-N 450.580 0.881 30 20 JCED CC(=O)Nc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)ccn1 1796744836 VUVHKIKHKNGCRV-MSHIPTOESA-N 459.503 0.772 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 1797390788 IETXKUMKSQPAGY-SFNKJDCFSA-N 482.541 0.849 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2 1799231960 FBKAQJXUGYMTHK-MHORFTMASA-N 464.563 0.361 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2 1799233084 ICEAREAMNBLYOZ-SFNKJDCFSA-N 474.562 0.715 30 20 JCED CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1799884465 LWHWOHBZNXEDDJ-RMFSNUHRSA-N 477.569 0.418 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCCS2(=O)=O)c1Cl 1800393035 PANCPHOIMWSVGC-CXHZTBPHSA-N 451.932 0.992 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 1800706777 ROXWZGNVOKRBGT-OYSTVDSJSA-N 461.559 0.871 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C#CC(=O)O)C3)C2 1802152472 NOHDOJIOTCEIBV-YYXZMQKJSA-N 461.515 0.452 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)C2 1802158764 MODQIMRRKONQQS-WDXOOCEESA-N 496.630 0.268 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1803555457 JYUCELHNFSDIOF-OXJNMPFZSA-N 466.502 0.510 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1807945078 BQDMGTZTILLINR-IERDGZPVSA-N 499.491 0.721 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cn3[nH]cnc(=O)c3c2C)[C@H]1c1cccnc1 1811305805 WPTUADWHCDIWRA-NBBDWSPISA-N 489.536 0.904 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C(=O)OCCO)[C@H]1c1cccnc1 1812877463 JGKJMHJIXBNSAL-JTSKRJEESA-N 465.462 0.638 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814773268 FPAVDWSJJDLCOJ-CYBMUJFWSA-N 479.455 0.731 30 20 JCED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)c1 1822028945 OLBWAMSLMYIRAJ-LBPRGKRZSA-N 461.467 0.680 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825669389 CTQFJWJDLFAJSZ-BZPMIXESSA-N 478.527 0.371 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCN2C(=O)OCc2ccccc2)C1 1829023390 OXXLNYPYBLAPOK-CPJSRVTESA-N 494.552 0.769 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332522 PVHNWLINZVSRLQ-IQGLISFBSA-N 498.536 0.393 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1829634320 JXZAVTPXELNXLP-LVXARBLLSA-N 483.613 0.583 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)s3)C2)C1 1829770421 OPFOEQJJQUANEV-ZRHASKPBSA-N 454.936 0.725 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1831391488 CGHYVFMIPFVDMJ-FDDCHVKYSA-N 453.499 0.376 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831470455 UBXSXMGKVCYRCK-MHECFPHRSA-N 496.605 0.827 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831693024 PJYTYGUHIDCPST-XOBIUNJKSA-N 451.568 0.077 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)CC1 1832112221 ZRAHWZUGJMFTOI-QFIPXVFZSA-N 480.562 0.509 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1832458281 JKHZMDVVGDHECM-HTAPYJJXSA-N 487.619 0.638 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832522576 RBITZHACYHEQNK-MTNXOHHFSA-N 452.548 0.751 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833026254 LDGUPSWILHRNCW-ULWKOAMRSA-N 499.524 0.161 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)CCO3)cc1 1833028064 JHEOMWXQIXPRGF-CJAUYULYSA-N 493.520 0.635 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3C(=O)OC(C)C)CCO2)C1 1833393311 OHRYKZHGLPWWOB-UUOWRZLLSA-N 473.526 0.755 30 20 JCED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)cc1O 1833401291 MESJMJNFAWHJHR-QHCPKHFHSA-N 453.499 0.700 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CNC(=O)OC(C)(C)C)ccn1)CCO2 1833602395 FAFKJSVYQQXPNL-HSZRJFAPSA-N 458.515 0.810 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833785622 KAELIEVRLMGHLY-HXUWFJFHSA-N 450.927 0.482 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)[C@@H](N)CCC(N)=O)CC4)CC3)c2c1 1834676065 QVKCNIGYSMAJKI-IBGZPJMESA-N 480.573 0.213 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)n5[nH]cnc5n4)CC3)CC2)cc1 1834796959 BHQSQGSMLNDALI-UHFFFAOYSA-N 474.525 0.788 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCC#N)CCO3)cc1 1835362732 UGWGIEROOUHVOF-DEOSSOPVSA-N 472.542 0.852 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCCC2=O)CCO3)c(C#N)c1 1835411633 IQHOUSWZUUXNNL-XMMPIXPASA-N 470.526 0.188 30 20 JCED COC(=O)CSCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835766244 ZPJXKQUZMJTBIJ-DHNIJCFSSA-N 484.619 0.993 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4nnc(C)o4)CCO3)C2)c1 1836025612 PEKYQKOFWHGIOW-JOCHJYFZSA-N 455.471 0.571 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c1 1836171673 VIYAXJZSSVEPHJ-UHFFFAOYSA-N 474.612 0.932 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836350703 NGEOMOTWBMBZHE-NTKDMRAZSA-N 498.540 0.746 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1)c1cccs1 1836520799 RYXXAGQFQPSECH-YQTDCCHMSA-N 475.567 0.956 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836872936 PPJIZZLJZXXATP-JOCHJYFZSA-N 457.487 0.309 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836988775 FQBPBIJOVGWJQL-WAIKUNEKSA-N 459.499 0.679 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837398778 IJJOAWFDARBZLZ-HJSICRDTSA-N 453.536 0.545 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1837401205 VKNGACSKEWLHML-XMSQKQJNSA-N 463.487 0.944 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837440199 DWPHJGZLGJXLFE-GVFUYMABSA-N 492.598 0.632 30 20 JCED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837527497 NRBQLGHYMDHTFD-OBKNTDCBSA-N 463.491 0.084 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837647524 MUMWETBGGMEWHC-WAIKUNEKSA-N 478.513 0.432 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)n1ccccc1=O 1837681151 SRMVUTKVYXFUTE-UQBPGWFLSA-N 464.522 0.980 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)ccc1F 1837948730 DQOVBULSGGCGJZ-QHCPKHFHSA-N 483.456 0.498 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)CCO2)C1 1838480924 QSZZBOLLOPIESD-SSOJOUAXSA-N 479.537 0.679 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1838584851 JZTDGULGJHHZJY-QHCPKHFHSA-N 483.481 0.211 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnc(C)n4)C3)C2)c(C#N)c1 1839132511 IHBZYLSMWKVKDC-DEOSSOPVSA-N 465.510 0.978 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1839136549 YWFKHJTWOAFGJE-MHECFPHRSA-N 495.573 0.703 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1839228078 SCGODNGRANMDFA-VGSWGCGISA-N 458.519 0.909 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839624921 SXSWPOWKVFLQKB-ZHRRBRCNSA-N 461.494 0.512 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c(O)n1 1839867559 CFNKPIAKJGUUHK-WAIKUNEKSA-N 458.515 0.112 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(Cn4ccnc4)cc3)C2)C1 1840041080 OSGWXCXHARSIKM-JOXKVKLASA-N 478.505 0.489 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840071872 LSKOPVHLUCFXOU-VXWZWFMZSA-N 492.573 0.507 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840077727 ICIYECIABFLCMG-DEOSSOPVSA-N 493.532 0.837 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1840082362 QBKIACKEYQOQLM-RCZVLFRGSA-N 498.617 0.907 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c([N+](=O)[O-])c1 1840162938 LHBRBSOVTYNTJD-VLIAUNLRSA-N 453.517 0.921 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1)c1ccc(O)cc1 1840219426 NJHIRXOHOOYPFW-WOVHNISZSA-N 483.565 0.872 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813738 RZYFKEXRHCWDGO-KSFYIVLOSA-N 466.535 0.022 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818424 BKVWKVDRQZWPIF-HXOBKFHXSA-N 458.515 0.308 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1840959130 UNHGPWVOSZVDJT-UZUQRXQVSA-N 480.562 0.628 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1CN(C)C1)C2 1844215552 SJVDUCNXYFOWOZ-QGZVFWFLSA-N 479.578 0.557 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2Cc2cccs2)CC1 502049876 NWWUGAFTFBUGMM-UHFFFAOYSA-N 468.608 0.420 30 20 JCED CC(C)NC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 512309352 LOPBRISAAZXBIK-UHFFFAOYSA-N 461.588 0.628 30 20 JCED CCCn1c(=O)n(C)c(=O)c2c(Sc3c(C#N)c(=O)n(C)c(=O)n3C)nc(C(C)C)nc21 514490685 CBVANAIXLHNTHW-UHFFFAOYSA-N 457.516 0.444 30 20 JCED CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)CC1 518203974 RSVPAQDTBWNZML-UHFFFAOYSA-N 497.581 0.177 30 20 JCED Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CCNS(C)(=O)=O)c1C 524108837 YMFSZDYZEVWQOD-UHFFFAOYSA-N 482.587 0.857 30 20 JCED Cn1c(=O)c2cc(NC(=O)C(=O)NCCSCc3ccccc3C#N)cnc2n(C)c1=O 604135282 MMNZTNHLDIPBCJ-UHFFFAOYSA-N 452.496 0.492 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CCS(C)(=O)=O 729673404 NSTXXOMCWCFLPH-UHFFFAOYSA-N 485.509 0.778 30 20 JCED COc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 837040915 IVEQOHCVYQGMFQ-ZBFHGGJFSA-N 473.573 0.544 30 20 JCED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917786160 DYGVDQCDLGSUJV-UHFFFAOYSA-N 475.640 0.976 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 920398985 KTDAVXYWTIOLGL-UHFFFAOYSA-N 473.461 0.982 30 20 JCED COc1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c(N)c(OC)c1OC 920645112 JCMWFTBMHIEXAT-UHFFFAOYSA-N 459.459 0.968 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCOC1=O 1541674371 XNGVXXZSGMHIMQ-UHFFFAOYSA-N 467.534 0.852 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CCO1 1554452071 UNCNHMJFQFLHLR-FQEVSTJZSA-N 483.573 0.791 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncccn2)CC1 1705755535 UWAMULNSPVGOEQ-OAHLLOKOSA-N 468.971 0.480 30 20 JCED CNS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1711418990 VMBICNGANMDWOJ-QGZVFWFLSA-N 475.575 0.688 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CC3(OC)CN(C(=O)OC(C)(C)C)C3)C2)C1 1778136709 PTBGITVNBRDVGA-WZONZLPQSA-N 479.574 0.881 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)[C@@H](O)C1 1778364422 WRRDHZJJIKOZHL-SSKFGXFMSA-N 450.536 0.738 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)C1=O 1779065225 PXHSOYNQFZIARW-RUZDIDTESA-N 465.506 0.964 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779102030 SMUGFUPXSSQMHV-HWIIHTTPSA-N 477.474 0.971 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779364195 IRFRWAGFSZRNKJ-XMEVSZALSA-N 450.584 0.680 30 20 JCED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC(C)=O)OC(C)=O)C1 1779399743 DEHJPJVUYFGTGJ-WAOWUJCRSA-N 456.561 0.914 30 20 JCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=O)COc3ccc4scnc4c3)C2)C1 1782796573 CXDHHXZOZWRNHS-QFIPXVFZSA-N 471.539 0.925 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C[C@@H]32)cc1 1783604249 CREBAEQHORZSOB-IHPCNDPISA-N 452.471 0.885 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)NC3)CCO2)C1 1783765482 OTNZMXRFPKMVJW-QZMQVMSPSA-N 464.563 0.812 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1)C(C)(C)S 1783777335 BAFYFYYSTTVIOP-PGKMIFDNSA-N 484.619 0.697 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CN(C)C3)C[C@@H]21 1784784146 GENAOLIFFVCRDL-KANFNMMFSA-N 450.580 0.997 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1785577963 SJPILZAMHCBPKH-MHECFPHRSA-N 485.541 0.767 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](N)c3ccccn3)[C@H]2C1 1786872985 MWWNMPUWQCRUMI-FFZBTMFNSA-N 485.585 0.978 30 20 JCED CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/C(=O)c4cccs4)[C@H]3C2)CC1 1787511373 JHYJWDJNDTXHMI-BUXHUDTESA-N 460.600 0.714 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1788470124 XJFJZZJIUOXVGI-OZIGNCPNSA-N 458.515 0.535 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(S(C)(=O)=O)c3)C[C@@H]21 1788571403 JWMAXFOTFIELBA-QZHFEQFPSA-N 465.572 0.652 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)no1 1788638936 UZHBLHUOQUKLFA-BJLQDIEVSA-N 472.542 0.391 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)c(NC(C)=O)c1)C2 1792489804 UXVIQNNBSUHWTR-NOOKGOPLSA-N 470.526 0.715 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1792834377 IWAKOAHNXKMSRS-YVWYUNDQSA-N 466.885 0.326 30 20 JCED O=C(Cc1cnc2ccccn12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1792932492 KIGWIZFMRPJFPS-PNRPCRMYSA-N 455.515 0.995 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258904 USHOBZPFAVPJPI-RHZFDQMVSA-N 481.615 0.651 30 20 JCED O=C1Nc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C/N=C/c3ccco3)C4)cccc2C1=O 1797541360 MUBPFVDUCXDUSP-VEWOCKFBSA-N 450.451 0.737 30 20 JCED CCOC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)ccn1 1797741105 BDVWPLWMPFLIPF-FFECZHCKSA-N 457.531 0.933 30 20 JCED Cc1nc2ncccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797782646 GQLJAQMHOFCGML-OPVJXMOQSA-N 451.527 0.940 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1797790408 VPZUFYGTONZJEJ-YNVMFWSZSA-N 477.901 0.910 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OCC)nn1 1798756119 DHYUPHUCSWLBPT-WQDJSCAQSA-N 487.557 0.995 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cccnc2)C3)ccc1F 1799325934 ZWZKSIKDLMFLHU-QRICJDHISA-N 451.502 0.794 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)NC(=O)CS2 1800038587 ZRZGICXNUDRRII-JLVBRIDZSA-N 472.571 0.611 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccncc2=O)c(C(F)(F)F)n1 1800196844 TZFPFSSTZXUMFV-IVWMJMPLSA-N 476.415 0.432 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O 1800517218 HWTLEBXTRNXBTP-VQQMMKBISA-N 472.542 0.713 30 20 JCED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H]2c2cccnc2)C1 1802405471 KGMASFKKTYZLFI-PXNSSMCTSA-N 491.552 0.501 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1807145802 PEPAFXKSISTXIW-DOTOQJQBSA-N 453.503 0.884 30 20 JCED O=C(NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807354652 RHYNWEYJPUVEQA-XMSQKQJNSA-N 489.536 0.831 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CN2CCCCC2=O)[C@@H]1c1cccnc1 1812975102 VZRSZESBOXTRSO-DXJATJGKSA-N 453.543 0.958 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n[nH]1 1818814186 XQZSNWNTLDCZLJ-ZEVQVBBLSA-N 492.602 0.932 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818895611 XIHUYRXIFOCJLC-YJBOKZPZSA-N 463.604 0.792 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822199234 FFDRUZOXQDSQIG-MRXNPFEDSA-N 459.484 0.743 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)C1 1822202693 ZRJVYKCIEWGCQK-BMFZPTHFSA-N 475.502 0.718 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN)C2)C1 1829125315 WUNVJOCGKXXDPN-YADARESESA-N 458.559 0.970 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829476172 OWTHLZUKXDQHSZ-BTYIYWSLSA-N 463.560 0.425 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C)C2)C1 1829765085 GNQSRSIYUPUUDC-XXXZYALBSA-N 457.527 0.689 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCCc3cccnc3)C2)C1 1829773468 KJOTWXFKMCYUGN-HMLKYZKVSA-N 456.543 0.719 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)c3ccco3)CCO4)c2c1 1829828670 NZHSISSFKFSOAG-REWPJTCUSA-N 465.466 0.831 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1831485587 XJDAKIBQNJUZIS-XLIONFOSSA-N 471.601 0.510 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1831493059 PXYLSKAUCUIMAZ-HYFFOGBASA-N 489.635 0.673 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831997943 IQCISMYQLRBKHV-OPAMFIHVSA-N 478.550 0.355 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1831998230 KVBLDZNEDMDESS-WZONZLPQSA-N 477.562 0.809 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1831999790 CUPXIHKWBYYYEI-SBUREZEXSA-N 494.545 0.706 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832531368 OOEZTWXCQKACHI-BVZFJXPGSA-N 483.521 0.167 30 20 JCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1)C(F)(F)F 1832729387 BURHLSUMKSBBOI-IBGZPJMESA-N 456.421 0.386 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3c(=O)oc4ccccc43)CCO2)C1 1832756076 YYAGQZOVXAQQSX-UUOWRZLLSA-N 471.510 0.479 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1 1833107232 KUGNFOCYGCRCIW-QHCPKHFHSA-N 469.586 0.823 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCO3)c(O)n1 1833385624 SQXUNJCWUOEBQM-VWLOTQADSA-N 497.552 0.990 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1833399767 FKKDAUKXXUVNCU-QFIPXVFZSA-N 495.554 0.065 30 20 JCED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1833490374 LAUUAKXEKBMFFR-GOSISDBHSA-N 461.592 0.557 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(C)C(=O)CC4)C3)C2)c(O)n1 1833696868 RGMBMDXNADYEII-XMMPIXPASA-N 485.541 0.584 30 20 JCED Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1F 1833705369 FTEADJNBPKIFRI-OWNHUBEZSA-N 467.498 0.467 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCS(=O)(=O)c4ccccc4)CCO3)C2)CC1 1835145012 NZJVVQJGFGMRBI-QFIPXVFZSA-N 461.540 0.611 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CN(Cc5ccccc5)CCO4)C3)C2)CC1 1835341920 LYRUVOZKGRSXCH-SQJMNOBHSA-N 468.554 0.648 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@@]45C(=O)Nc4ccccc45)C3)C2)CC1 1835346658 NQLNHENEDLCFCL-VEYWIMSWSA-N 450.495 0.657 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1835645315 DOJHIDYNPVDDDT-JOCHJYFZSA-N 497.556 0.684 30 20 JCED CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(=O)OC(C)(C)C 1835675240 ZGYZICHTHQTGEF-QHCPKHFHSA-N 481.594 0.592 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1835677300 MFEIXVCQDNVTCR-JOCHJYFZSA-N 455.519 0.310 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cccn(C(F)F)c3=O)CC2)CC1 1835858652 JAAZYQQXQJKMFD-UHFFFAOYSA-N 450.442 0.517 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)s1 1836078269 MEBRYZAXRVPGIO-HXUWFJFHSA-N 450.565 0.127 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C(F)(F)F)cn3)CCO2)C1 1836374861 LFMBSSYMJMISCH-AUUYWEPGSA-N 456.421 0.604 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(C(F)(F)F)cn1)CCO2 1836375181 TZLZFRZTKMURRI-HZQHCPKGSA-N 483.447 0.424 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836985515 CLIFBXCPKWEHNF-XTVKVDEJSA-N 454.531 0.876 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837330646 RSEKGZXNHAZJBD-CVROGOTKSA-N 478.619 0.879 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1837403926 WGCSKTJEKLYJHM-HYBUGGRVSA-N 475.590 0.362 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn2[nH]cnc(=O)c12 1837490647 JYKSLPMBVIZOCL-RUZDIDTESA-N 497.552 0.100 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837490750 NMDWCYFGZWFOLT-XMMPIXPASA-N 467.526 0.498 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837526387 UOGUXZCIXUGIHI-RXRGDLQPSA-N 453.536 0.955 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1OC 1837566927 UJGDAUUQGIDHJO-JJDHCWFKSA-N 472.498 0.881 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)N1CSCSC1 1837573554 FZONLSHRXFSLIE-YWZLYKJASA-N 465.601 0.999 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837636495 AJQCBMVNVHXVQG-XVXCJXIKSA-N 476.530 0.709 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838392122 LZPYNNKANRGUBU-LFVJCYFKSA-N 459.547 0.382 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838478156 DHAYCLQYVKBEKS-QFIPXVFZSA-N 461.471 0.390 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccccc4C(=O)OCCO)CCO3)C2)CCC1 1838570839 QCHNEKHQXQKSAI-DEOSSOPVSA-N 471.510 0.600 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4ccnn4)C3)C2)c1 1838584878 LROITSIVPAPACR-OPAMFIHVSA-N 454.487 0.490 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(C(=O)OCC)c3)CCO2)C1 1838718694 DGJVPULTBMKDDP-SBUREZEXSA-N 461.515 0.919 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733187 SCKQGAMKOHAWLJ-JPYJTQIMSA-N 473.530 0.966 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838808484 AAALMVNLWDAINR-UZUQRXQVSA-N 492.529 0.154 30 20 JCED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1OC 1838841269 YNXVNHAUHKDFPU-JJDHCWFKSA-N 472.498 0.881 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)cc1 1839362305 KLETXGNAUYCVLV-XMMPIXPASA-N 456.543 0.545 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Cl)ccc(Cl)c3O)C2)C1 1840043821 WDWALJCNRQTKKV-LJQANCHMSA-N 457.266 0.857 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840169349 ZERITLXEYIVQKV-XLNZFTOWSA-N 479.574 0.474 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1840176771 VHSZDIUREXBMKS-HSZRJFAPSA-N 480.562 0.098 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1)NC(=O)OC(C)(C)C 1840796087 STCNIDYJCCYISM-YZZKKUAISA-N 468.595 0.897 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840908374 KSVMERUKHGASTH-WZONZLPQSA-N 490.561 0.041 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840939601 LIEWAGCEHZGYDM-MFDGSOIASA-N 452.552 0.458 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1841224203 VBURJUHMRGBYTC-COCILVILSA-N 472.542 0.898 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)O)C2 1844215423 DZNUTZPYHBWLRK-LSDHHAIUSA-N 454.524 0.376 30 20 JCED O=C(c1ncn2nc(N3CCOCC3)ccc12)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300236 SKSCCNFPZMXUKM-WMPMWDHYSA-N 497.556 0.912 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1845222195 RTJFQMWXNIJIQR-INIZCTEOSA-N 451.568 0.747 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 518715356 GDBDAYBJYKVTLP-UHFFFAOYSA-N 473.461 0.982 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cs1 518718301 KHBODJYVGSFJSZ-UHFFFAOYSA-N 459.597 0.215 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)cn1 522389794 PVEQPOPMCSWBGW-UHFFFAOYSA-N 450.480 0.805 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3cnn(CC)c3)c2=O)cs1 523572195 HEFCPXKVWLJJCJ-UHFFFAOYSA-N 458.569 0.400 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(CC)oc3ccccc23)c(=O)n1CC(N)=O 524282646 BTHXTHIVNNXRCT-UHFFFAOYSA-N 482.562 0.750 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccsc2)c1=O 589160818 OKKCWARINYJUAB-UHFFFAOYSA-N 459.574 0.906 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(CC(=O)NCCC)CC2)cc1 643040836 XZBWUPHKOGYGDJ-UHFFFAOYSA-N 479.603 0.538 30 20 JCED N#Cc1ccccc1OCC(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 827741411 SHBFKUAPKJSBLH-UHFFFAOYSA-N 473.507 0.818 30 20 JCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 844254398 OCOINKMRTGEASO-UHFFFAOYSA-N 470.530 0.551 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 915381941 NXYUWUOPVMDCGL-UHFFFAOYSA-N 471.495 0.272 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(Cl)ccc2OC)c1=O 917770430 MWCWQBKNDPCEEE-CYBMUJFWSA-N 465.959 0.872 30 20 JCED CCN(CCCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O 918669701 FYIGADRMTUAFAR-INIZCTEOSA-N 458.606 0.928 30 20 JCED C[C@](C#N)(NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C1CC1 919645567 BWWFSRHZACOFKM-QVKFZJNVSA-N 461.496 0.975 30 20 JCED N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc1Br 1211368715 KXLGGRUXRKXPMB-VIFPVBQESA-N 455.331 0.654 30 20 JCED COCCN(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1301718772 JTJNGGRSJWMGOI-SFHVURJKSA-N 483.639 0.709 30 20 JCED Cc1c(NC(=O)[C@H](C#N)C(=O)C2CCN(S(C)(=O)=O)CC2)c(=O)n(-c2ccccc2)n1C 1342606700 NXUNBAAQMQRUJZ-QGZVFWFLSA-N 459.528 0.803 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1505139670 SBKMWWYBCVTPGP-NRFANRHFSA-N 476.559 0.352 30 20 JCED CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(C)(=O)=O 1508701269 FXDZSXJPZPARND-KZNAEPCWSA-N 465.624 0.922 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1541675421 LEGXSDOHYMOHDH-INIZCTEOSA-N 451.597 0.806 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CCO1 1618694959 ZJZZDKNVRUTFFN-PKOBYXMFSA-N 467.530 0.263 30 20 JCED C[C@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1706901998 NAJLZWLSQOBASO-UEXGIBASSA-N 494.549 0.387 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1710329905 ILGBIYVYUMFWFT-HSZRJFAPSA-N 452.563 0.141 30 20 JCED COCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1712327215 KUIYPDCPMBOHTC-LPHOPBHVSA-N 456.569 0.138 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1761466819 QPFSXHGCQFWUHE-RHSMWYFYSA-N 466.589 0.831 30 20 JCED Cn1ncc(Br)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1778409430 XOAVCDRUMJFGAR-FZKQIMNGSA-N 453.293 0.398 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ccccc4n(C)c3=O)CCO2)C1 1778971150 HSTZZITZKAUDHU-HOYKHHGWSA-N 454.527 0.950 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1)NC(=O)OC(C)(C)C 1779097909 ACIMSSHQLJVFJH-VAXXYWNWSA-N 496.605 0.326 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1779103167 NPTXFUFECVACOY-JGYVSQDVSA-N 475.527 0.729 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)C(=O)Nc5cccnc5)C4)C3)c2c1 1779207631 OMMREFKITLDHDZ-QHCPKHFHSA-N 459.466 0.912 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1779402395 MYHKKOJUEZLURO-GQPGGXJDSA-N 497.545 0.524 30 20 JCED CN1N=C(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@@H]3CCCCO3)C2)CCC1=O 1779420485 SRMKTELYCLZJRO-NAKOXXRASA-N 463.535 0.638 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1781148616 FVUCTJFULDXMDG-AOMKIAJQSA-N 450.536 0.211 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1781187320 GEPIZYPYXBOABK-WIEQDCTASA-N 473.592 0.981 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@@H](O)N3CCOCC3)C4)c2c1 1781204860 PLRIHORRDTWETD-ZFJSRUIDSA-N 482.541 0.213 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2ccccn2)C1 1781487459 SOUWBQNRWMSRSG-PVBWSKLFSA-N 483.569 0.572 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C)cc(C#N)c4)C3)C2)CC1 1782056515 BKTAAJFFTATNSY-XMMPIXPASA-N 453.543 0.474 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782749782 OLBABGOCWKIQCD-QMHKHESXSA-N 496.561 0.219 30 20 JCED COc1cc(/C=C/C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc(OC)c1OC 1783566225 RTEGYRKWPHRRSC-OIUIXCLQSA-N 458.467 0.644 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1783643663 XFQRTRAQPANPQA-SSKFGXFMSA-N 450.536 0.880 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1783647276 SCVREAXYXDTDBK-LDQAXMLRSA-N 477.583 0.907 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783682653 LNWXGQIXZVTJGE-UFYCRDLUSA-N 469.579 0.602 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)CCO2 1783905600 IDVPHKUPVBGHIC-XMMPIXPASA-N 466.542 0.813 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1785573755 ZSMQWLXNHGWNFE-MWTRTKDXSA-N 474.514 0.446 30 20 JCED Cc1nc2ncccn2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1787981452 ZLZMZBLGEBYKER-BZSNNMDCSA-N 453.547 0.913 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)C[C@@H]32)CC1 1788248363 JRLONKMAZUHTRI-VCOUNFBDSA-N 487.988 0.969 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc6n(n5)CCNC6=O)C[C@@H]43)c2c1 1790328277 ZGDPHLJUDWZLPI-UVFQYZLESA-N 488.508 0.282 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC)C[C@@H]21 1791258441 OQJXCFUCRWNMHG-XSLAGTTESA-N 498.577 0.418 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1792266470 CSKDCTUREOWPIC-DAWKRRPCSA-N 461.515 0.524 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1792490361 PRMTXAYYWUOELP-NFKFQMLOSA-N 464.522 0.344 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1793082319 YWFOBBDPTUWRSW-OYSTVDSJSA-N 467.563 0.803 30 20 JCED O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1793861468 VEDPUNDLVLGPGJ-VQMFFECGSA-N 498.536 0.791 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc(-n2cnnc2)cc1 1795493753 YKHYPSGKYHVSJM-BMDJJADWSA-N 468.514 1.000 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)N(C)C 1795901353 LOSOQKQMNWBXAK-YYIAUSFCSA-N 495.577 0.518 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2)c1cc2n(n1)CCCNC2=O 1797320593 GPACVPFZVCIDNM-FAQVEIGNSA-N 481.940 0.925 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)N2CCOCC2)ccc1Br 1797810542 WFJJBODCFYULQX-HPNQWNLUSA-N 493.358 0.175 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2)c1ccccc1 1797876838 MTBVUBPGBPWPHC-VQQMMKBISA-N 474.521 0.818 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nc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c1ccc(Br)c(C#N)c1)C(=O)C(=O)O 1799710867 IOJJNBNMOUSWPT-XOIINTDNSA-N 493.314 0.067 30 20 JCED COc1ccc(Cn2cc(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)cn2)cc1 1800773507 NQXKUIKKURRRGG-NHKMSHSESA-N 466.494 0.160 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC=C 1800999349 LQZPYFKDBOFICI-SFNKJDCFSA-N 480.562 0.958 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1802125379 TXPCLLHWVSBXRU-LORHWOILSA-N 490.517 0.298 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1802125825 WDGHXAYHJHMNLS-SFNKJDCFSA-N 482.541 0.849 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1807026884 VAWRBICUTPPUJE-SBKBACQFSA-N 483.462 0.341 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1810247333 UXHWXOCHSGLJBX-XYJFISCASA-N 454.464 0.385 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2c2cccnc2)c(C#N)c1 1810352707 YUFGJFXUPUAIQK-OLLUBJOZSA-N 493.564 0.861 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810392821 OGXYCTSSSFGTHK-DEMNNMOISA-N 455.515 0.450 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812344548 JGBQWABUOHTCQA-AVRDEDQJSA-N 453.499 0.854 30 20 JCED Cn1ncc(Br)c1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812876954 CIUWTNSEEZIJEO-CXAGYDPISA-N 460.288 0.985 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 1821595138 DEHCLEAOXQMXPC-PWSUYJOCSA-N 450.546 0.896 30 20 JCED O=C(CN(CCO)CCO)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1822026524 LGNSZYPUUZDVGZ-GNCZZYFXSA-N 466.539 0.217 30 20 JCED CN(C)C(=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828571647 FCISNFWUCLQYQN-VWLOTQADSA-N 466.538 0.940 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCN2C(=O)OCc1ccccc1 1828647697 KQVWBXORHNZPML-DEOSSOPVSA-N 464.478 0.785 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1828926691 DYMBPCNYLLYTIH-JOCHJYFZSA-N 456.503 0.411 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1829764509 OACAIEYGGHZNNQ-YOXWTLATSA-N 464.906 0.369 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1829771896 ZVXMQDDDQMKECL-KSEXMQBYSA-N 453.499 0.263 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)OC)CCO2 1829944393 CZDUMHPHFWDUSY-HXOBKFHXSA-N 467.563 0.784 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c1 1830457781 FRMQASIERSPXOT-XMMPIXPASA-N 466.494 0.660 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1830883480 DTUQDRUEFDPTLC-AOMKIAJQSA-N 466.535 0.022 30 20 JCED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)C(=O)c1ccccc1 1831151103 WBXOIPGWOQNPSP-XMMPIXPASA-N 454.527 0.909 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1831396492 MWGGBDDSSJNBHY-WAIKUNEKSA-N 457.483 0.126 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832004754 MCPAEYAGMIRAFW-NTKDMRAZSA-N 477.558 0.492 30 20 JCED O=C(N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2)C(F)(F)C(F)F 1832246520 IPKIIMJKDJQUCI-GFCCVEGCSA-N 472.285 0.698 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(Cc3ccccc3)C1)CCO2 1832303860 PKPQKJKJLSDTHY-BWKNWUBXSA-N 469.538 0.443 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncccc3OC)CCO2)C1 1832865519 OKKDEFSUCJUOHD-DEOSSOPVSA-N 475.542 0.989 30 20 JCED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)C2)cc1O 1833404956 ZIRDVDITMWGGBL-HXUWFJFHSA-N 494.430 0.795 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1833464298 ASGZJENMXUFJHO-HNNXBMFYSA-N 477.587 0.062 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833615740 SIZWEQUGWBVGEM-NTKDMRAZSA-N 472.542 0.027 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnoc3C)CCO2)C1 1834322179 QGXSAXWIDKAXNJ-WZONZLPQSA-N 476.530 0.970 30 20 JCED N#CCC(=O)NC1CCN(C2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CC2)CC1 1834398336 FCQWSYIOUFMHMD-UHFFFAOYSA-N 462.514 0.670 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cccnc3C(N)=O)CC2)CC1 1834715649 VZARGFJJTUPTEX-UHFFFAOYSA-N 469.590 0.648 30 20 JCED CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1834945655 SVDYPYQEDWYTGY-VGSWGCGISA-N 488.651 0.606 30 20 JCED CCN(CC)C[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682732 SRMBDYJPMWVCRQ-XXBNENTESA-N 451.612 0.703 30 20 JCED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cn1 1835985872 FWAQWEKXPMRXIR-DEOSSOPVSA-N 451.527 0.923 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1836680171 VOVWILIWEWDLDH-YLJYHZDGSA-N 481.590 0.909 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1837403928 WGCSKTJEKLYJHM-YKSBVNFPSA-N 475.590 0.362 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837443411 JLGDSDGXPSJQOS-LKGOCUHXSA-N 469.586 0.629 30 20 JCED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c(F)c1 1837524294 DXGGFDZTFZUGLE-UZLDXKMBSA-N 480.493 0.828 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc1O 1837524384 AIBFQJORIZMHGU-YPJMUEFNSA-N 491.541 0.929 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524867 ICMVGOKXLMBZTO-YHMUTIFUSA-N 452.552 0.456 30 20 JCED CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533260 MPVIXNQRLYEEKA-KSMLXTPASA-N 466.579 0.845 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C(C)(C)C 1837560247 UJQKFLGZTZTQEJ-ISFHEQCHSA-N 462.547 0.706 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccccc1 1837615142 BSCMKJAYPRGDJK-RLWLMLJZSA-N 479.533 0.565 30 20 JCED O=C(/C=C/C(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1)c1cccs1 1838102337 JRZOCOSHHPSPSO-ONEGZZNKSA-N 493.626 0.772 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838418499 BUUHTXFBTLMWGJ-QVKFZJNVSA-N 477.543 0.627 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CC[C@H]4CCC(=O)N4C2)CCO3)cc1 1839080704 GZGWWHNCAVTQMV-UFPGJGBJSA-N 480.565 0.958 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839100827 XYGQFPIXTRSDHL-NFBKMPQASA-N 452.596 0.062 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)N1CCN(C)CC1 1839104638 IGCKXWIFXFLENA-NLFFAJNJSA-N 485.585 0.029 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839194467 LGUYRGORSPYREN-CYFREDJKSA-N 497.589 0.149 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1839212624 HXULGWWPFQAJOQ-YTZAWJCFSA-N 494.589 0.533 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3[N+](=O)[O-])CCO2)C1 1839232578 PFPMHWBJILXJQC-UZUQRXQVSA-N 475.498 0.641 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)cc(C(F)(F)F)c1 1839442787 FZZBPTBOGFMACG-FQEVSTJZSA-N 478.431 0.939 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CSCC(=O)O)C4)C3)c2c1 1839488763 FAEMYLRBIOVLBU-NRFANRHFSA-N 473.511 0.322 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839578209 WHUDNAOVIMLVEC-IVZQSRNASA-N 491.570 0.997 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)c1 1839718768 MBENBPGRFDFXLN-DEOSSOPVSA-N 495.492 0.707 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044464 YJRHVEOIUJCGRD-GAJHUEQPSA-N 479.530 0.178 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1840055287 NPPWAUKELDNOFK-HOYKHHGWSA-N 495.573 0.703 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840059555 IRYJEIVUZYNEPV-DGGJZMOXSA-N 478.546 0.117 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(c4cc(OC)ncn4)CC3)C2)C1 1840171495 IHAXPIXSZXKEDL-QHCPKHFHSA-N 459.547 0.734 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2)c1ccc(O)cc1 1840264448 ZWXKNULNRFFIIT-RXFWQSSRSA-N 495.532 0.271 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269836 CYFGNYMXRUGCBD-IEBNWSOASA-N 453.536 0.523 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840289945 RGRHRHRCUDFQHJ-KSFYIVLOSA-N 464.519 0.673 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1840819006 JVJXJJDXVJIAGT-QHCPKHFHSA-N 452.467 0.808 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2)C1 1840840649 ZAAMAHFJHKXEHN-FHJLPGHOSA-N 467.563 0.784 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(C(=O)OCC)ncn4c3)C2)C1 1840841648 NBUXCXZCUNWSFK-XMMPIXPASA-N 468.510 0.994 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1840908344 JQJARJWJIFZYJH-DVECYGJZSA-N 480.606 0.700 30 20 JCED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)N3CCOCC3)C2)ccc1Br 1844296911 ILHSAQLQDRKFJO-GOSISDBHSA-N 463.332 0.788 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846228798 JZUDRMYVRYZGDO-TXPKVOOTSA-N 461.515 0.550 30 20 JCED CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 29720653 XAHUXJZOZGZYBM-QGZVFWFLSA-N 478.619 0.780 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1F 497573293 QVVXUKLSQSNVCI-UHFFFAOYSA-N 460.487 0.996 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2F)c1=O 603794479 FVVDNSPTHXREGW-UHFFFAOYSA-N 488.585 0.427 30 20 JCED CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 603804306 ZPLAQKBDAPOYLP-UHFFFAOYSA-N 483.597 0.744 30 20 JCED COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c(N2CCN(C(C)=O)CC2)n1 608904260 ZZRJFUHFOPLYOD-UHFFFAOYSA-N 486.554 0.890 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc(I)cc2)C1=O 726043423 WHFLXIDNMQGALT-UHFFFAOYSA-N 456.192 0.994 30 20 JCED Cc1nc(/C=C\c2cn(C)c(=O)n(C)c2=O)sc1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 726847813 IOEVZZUUGHMWMZ-FFELTBSMSA-N 455.496 0.313 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 746596358 NIYIYQSWFRETRV-UHFFFAOYSA-N 476.471 0.129 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 917342674 CXIVGHANCRWBCK-UHFFFAOYSA-N 469.523 0.004 30 20 JCED CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1295055621 KCGLAZWFNVCRMB-INIZCTEOSA-N 474.591 0.565 30 20 JCED CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1314560591 QWUGWSVZZWZUJN-OAHLLOKOSA-N 459.580 0.862 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(F)ccc2F)C1 1316355081 IWGNMNXWACJCEN-WBVHZDCISA-N 468.486 0.666 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CCO1 1554452190 WIXBDPHGGHHWGZ-SFHVURJKSA-N 455.519 0.595 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCOC(C)(C)C1 1611706840 GOIZJJJXZDSQFT-WMZOPIPTSA-N 480.639 0.176 30 20 JCED CN(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)CCOCC1 1617654808 AJWIRTDDGDPQJX-SFHVURJKSA-N 495.650 0.852 30 20 JCED N#Cc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1O 1623708307 XUHFXBGHOGRKPM-UHFFFAOYSA-N 457.512 0.642 30 20 JCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1624604203 RLTKNLRPABMDFQ-KGLIPLIRSA-N 452.920 0.326 30 20 JCED Cc1cc(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)nn1-c1cccc(C#N)c1 1635445116 RLKQOHGRVBTQAA-UHFFFAOYSA-N 450.546 0.783 30 20 JCED COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1697923117 KSPOAOBEACUAFV-VWLOTQADSA-N 497.600 0.585 30 20 JCED CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1729719331 ZFNZDSRQYTVYTN-AWEZNQCLSA-N 478.554 0.362 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1766994394 LFYLWQFDXKVHQQ-QGZVFWFLSA-N 494.599 0.388 30 20 JCED CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1767424292 USORAQINANOAAC-UHFFFAOYSA-N 452.562 0.333 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1778920886 GNVCZIIHYWISIK-HGFRQNNFSA-N 498.552 0.980 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1779069436 RKUUCZRSZLXSEA-OFNKIYASSA-N 457.483 0.425 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1)c1ccc(O)cc1 1779317275 HVMZDONUEBVYLQ-UWDQQESISA-N 471.554 0.870 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cnncc5C(=O)O)C4)C3)c2c1 1779529314 GNWMLSCROKCJBF-JOCHJYFZSA-N 461.438 0.680 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2)c1cc(=O)nc2cccnn12 1780039688 BXSXRENBJZPMLW-QLFIIDOOSA-N 478.509 0.929 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)cc1 1780056057 PJLJJBYLWCIQHG-DEOSSOPVSA-N 458.478 0.647 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782665760 BWBUDSJWTHQLOP-UOKFIYJESA-N 487.557 0.543 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873423 VDDLOKNAQRFTIO-NRVIRDBHSA-N 464.588 0.209 30 20 JCED COCCOCCOCCC(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783665705 BUGSFLAFPSNKEB-XMMPIXPASA-N 466.575 0.585 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783925022 YPJAGHJQBTXSCX-OPAMFIHVSA-N 467.567 0.734 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cnn(C)c3)C2)C1 1784577784 KKRMRHVRSKGNIQ-JPYJTQIMSA-N 459.547 0.709 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(n3)OCCO4)[C@H]2C1 1787380513 GOFSASNPCVHVCT-GRNXDFJHSA-N 456.499 0.305 30 20 JCED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21)c1ccccc1 1788706552 KLLOBQLEMOXHFR-GPUWNAPISA-N 469.582 0.814 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1790174576 COZOKCUCQLJXSI-DRABDVSWSA-N 484.550 0.338 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)N4CCOCC4)C[C@@H]32)c1 1791987161 OZVWLPTTYXVWIJ-WCJMXFJFSA-N 456.543 0.558 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)[C@H]2C1 1792082870 VESWHGQRGVYEBU-BVSLBCMMSA-N 489.594 0.714 30 20 JCED Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccccc4C#N)[C@H]3C2)c(=O)[nH]c1C 1792145053 FHCGIIIEAAGXGO-BJLQDIEVSA-N 465.510 0.931 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1792258709 NAHJJFGJMCTWKL-FJIDUMEYSA-N 450.536 0.019 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792584767 GRSVOKTZNLZYKD-YJDCLEDVSA-N 476.574 0.572 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1793347366 BPNCJLJYADHXFS-LTFPLMDUSA-N 491.585 0.640 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O)c1ccc(O)cc1 1793620539 YCVSDXRYKVZZJA-FDTRYVBHSA-N 479.533 0.794 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-n3ccnc3)ccn1)C2 1799304478 WDEUQLZZIBDLNG-UPHUGPLXSA-N 453.499 0.980 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800182137 VCPNVIKYRNJWPS-VWFIUDSGSA-N 487.557 0.621 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2 1800996094 HVRQNCHSBFIZRH-AXVVYFOYSA-N 465.547 0.836 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1802051562 AUMDNKLHCCRADY-ABYCXSSWSA-N 475.542 0.985 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804193922 FVQBBUOESPTQAK-PZJWPPBQSA-N 490.630 0.100 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1804468126 SGHSBAJXTIALHA-HGJUEJDCSA-N 484.601 0.918 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1810249875 AITHUPOHRKSLLF-JTDSTZFVSA-N 452.515 0.863 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1811944485 NOLIDWXORAQKAJ-ZJSXRUAMSA-N 465.554 0.868 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCN1CCN(C)CC1)CCN2C(=O)OCc1ccccc1 1828930837 QSCRXBZUZCFLDK-AREMUKBSSA-N 481.597 0.709 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828968569 VWCRBFCTBBXSEG-AGSZKJPSSA-N 466.579 0.786 30 20 JCED CC(C)(C)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828981648 SAASHRRTVYHBDV-VWLOTQADSA-N 484.553 0.915 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1829267118 RJHBVGZVJZRKAC-RDPSFJRHSA-N 470.526 0.223 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)cc1 1829635794 PONYLJPJFXUVOK-HYBUGGRVSA-N 454.527 0.473 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)oc3C(F)(F)F)C2)C1 1829766052 IGDYQIPZIJCUMZ-FBQMEGEOSA-N 486.447 0.930 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1830042344 GFWDEJLECTUMOO-FQEVSTJZSA-N 498.462 0.313 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830592598 UCYJWGNDQLUKGS-UZUQRXQVSA-N 465.547 0.891 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1831399221 RVJCPSWTLLRJLD-NYHFZMIOSA-N 474.539 0.234 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1831401518 BDABDHGFHKFJPR-GGUMNFRJSA-N 497.589 0.145 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1831407199 SEDYFPWDFSPLAL-QFIPXVFZSA-N 450.536 0.582 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1831438093 MIOUBQTZSMKHSM-NTKDMRAZSA-N 459.543 0.772 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)cc1 1832794019 XROJAPYSAFGNKM-JOCHJYFZSA-N 468.470 0.362 30 20 JCED COc1cccnc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832862241 JSNSQCLVJNBMJI-DEOSSOPVSA-N 473.574 0.761 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833028418 OQSKUOPAPPTHMX-PXAQALGRSA-N 460.531 0.661 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1833199449 RUPISZOIVTZZAE-HYBUGGRVSA-N 458.559 0.674 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1833334223 FZPFHGCEDHANML-JJDHCWFKSA-N 469.498 0.822 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccs3)CC2)CC1 1833832843 BWWIQYOSXFZGRV-WAYWQWQTSA-N 487.626 0.908 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnc(C(F)(F)F)cn3)CC2)CC1 1834962403 HCVXRWRYOQXBKK-UHFFFAOYSA-N 453.421 0.769 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@@H]3CCC[C@H]1c1ccccc1N3)CCO2 1835503729 JDSMJVLUGGFOGA-KQLQCSSLSA-N 467.522 0.909 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1835676818 BMJCOIYDHQWJAG-DEOSSOPVSA-N 481.557 0.619 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1835682751 UNPRVRZQZNUBNC-DEOSSOPVSA-N 469.542 0.533 30 20 JCED CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835767988 FYQWEDBMMOYGAH-XAOCGEIJSA-N 482.651 0.571 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cccc1C=O 1835955934 QFFPTCYGMNKPOI-YFMBHZQQSA-N 459.547 0.790 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)ccc12 1836253486 FPIIHBJLDUYJTQ-HSZRJFAPSA-N 469.498 0.885 30 20 JCED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836321702 CCFXPFPUPLMSAQ-FQEVSTJZSA-N 484.431 0.995 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C3\C(=O)Nc4ccccc43)CCO2)C1 1837325797 ZKEKPDMEYSBFOA-ODUAORJMSA-N 483.521 0.988 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1837397892 XJZBTCOVTDVPNN-KOSHJBKYSA-N 472.542 0.609 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)ncc1[N+](=O)[O-] 1837443297 DBAGAYMYBQAFMK-XOBIUNJKSA-N 474.518 0.840 30 20 JCED COc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc1C 1837527697 SZRABNKGCFGRNJ-ZWGHOPNTSA-N 476.530 0.998 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1)c1ccccc1 1837616647 KVNJSBQDCFFDOD-RXFWQSSRSA-N 491.548 0.843 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837924326 WLPWCJHFSFSGMB-QFIPXVFZSA-N 462.934 0.899 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)NC(=O)OC(C)(C)C 1839080843 MBDWNYHCZNZXDM-XMODTWTHSA-N 496.605 0.025 30 20 JCED C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1839164266 LNEKQCZVDBRACA-JLTOFOAXSA-N 479.331 0.525 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1839227401 POAFBUSMFIGWKM-MBSDFSHPSA-N 477.562 0.544 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1I)CCO2 1839425322 KFXIEZYTADNPBX-GOSISDBHSA-N 499.261 0.903 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839772562 BZMRSFRTKKCPPI-GYLQWBMOSA-N 477.558 0.235 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C[C@@H]3CCOC3)NC(=O)OC(C)(C)C)C2)C1 1839808587 VDWPRPYSSCHEPP-YZZKKUAISA-N 465.547 0.396 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C(F)(F)F)n1 1840041995 UHVYNGLIKMTHFE-IBGZPJMESA-N 466.372 0.130 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCCOCCOCc1ccccc1)CCO2 1840082630 HRIUECBEKFGBIP-RUZDIDTESA-N 489.569 0.997 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840165087 NAAKIYHGIPDDOU-VWKPWSFCSA-N 455.577 0.678 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1840175814 GVKSXAMOFBPFFM-JOTIYABQSA-N 479.574 0.778 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840291359 NXRUQWOIEPOGGZ-JPYJTQIMSA-N 467.563 0.522 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840371583 RKTWGHTYKJDYGJ-ZJSXRUAMSA-N 498.515 0.238 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)cc1 1840381047 KNBSMCGNGWCVCU-OAQYLSRUSA-N 456.528 0.733 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)CCO2)C1 1840945932 NPOGUXPOGYBHAX-XMODTWTHSA-N 497.564 0.829 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)c(C(F)(F)F)n1 1848070966 QWCXYTXRQYXNEQ-HOTGVXAUSA-N 485.488 0.518 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O 589161318 QMSGEFQIBZAKIW-UHFFFAOYSA-N 455.508 0.465 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)o2)c1=O 590996119 UHMCDGCQEIFANI-UHFFFAOYSA-N 476.624 0.516 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 604434301 DELUVXSTCOARBM-LBPRGKRZSA-N 486.506 0.578 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 608890448 CIKWJPMHFRHHIR-UHFFFAOYSA-N 452.496 0.697 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccs2)c1=O 729674061 ABLAQOSYNMQGCS-UHFFFAOYSA-N 451.595 0.578 30 20 JCED O=C(NCCN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1)c1ccccc1F 731203012 PVMRUEPXWCWLNO-UHFFFAOYSA-N 487.557 0.829 30 20 JCED CCc1ccc(-n2c(=C(C#N)C(=O)N3CCN(CC)CC3)sc(=Cc3cnn(C)c3)c2=O)cc1 839251662 YOISDDXJHXXVHA-UHFFFAOYSA-N 476.606 0.862 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 857837265 BRZNSDVIAZUYLH-OAHLLOKOSA-N 482.497 0.711 30 20 JCED Cc1ccn2c(=O)c(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cnc2c1 915545199 FWLMBUZVAIMGBY-UHFFFAOYSA-N 495.517 0.565 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(OC)cc1 916193820 MIHIOFVVHNRZOR-UHFFFAOYSA-N 493.541 0.960 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)cc1 918427528 LTXFTZGUJDIDNR-LGUFXXKBSA-N 487.538 0.690 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1298097016 KEFNSDCUVDRNHB-LJQANCHMSA-N 473.603 0.867 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359076762 LYZLNJLCANPXPW-CHWSQXEVSA-N 499.457 0.563 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1505139137 PQVXEZYEJKTIKS-QGZVFWFLSA-N 464.573 0.476 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@](C)(O)c1ccccc1 1510219974 RHHNRNWIZMSBLT-NBCNXNJRSA-N 473.603 0.973 30 20 JCED CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1618839353 ZKVCYVSSAJKSIK-UHFFFAOYSA-N 474.591 0.554 30 20 JCED COCC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1712327217 KUIYPDCPMBOHTC-VQIMIIECSA-N 456.569 0.138 30 20 JCED CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1764755106 MBECPAPFEMEONI-SFHVURJKSA-N 458.544 0.689 30 20 JCED CS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1770337350 MNQWOHQWJHQWFS-IBGZPJMESA-N 471.587 0.858 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777886364 BKIPNLWECCWZDJ-HMLKYZKVSA-N 465.510 0.235 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1778967234 JNWFDPBSWOHWNT-UWJYYQICSA-N 451.545 0.502 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1778976333 OOROASADUVKEEZ-VWMXVWASSA-N 481.590 0.761 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)C1=O 1779103351 UGCLMSAXSMTXLI-DKEIUJBJSA-N 470.482 0.794 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c(C#N)c1 1781176835 OEWCELSQGXFYPR-HXUWFJFHSA-N 468.432 0.618 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1781189576 ZYUGNJUOERIZCV-NXMSCROESA-N 495.573 0.701 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781653058 XHBBJDUGAINZLY-CSODHUTKSA-N 454.593 0.359 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CCN5C(=O)C=CC5=O)CCO4)C3)c2c1 1782192003 CTROXYPGNIBAKV-HSZRJFAPSA-N 462.466 0.193 30 20 JCED CCOC(=O)N(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)Cc1ccco1 1782426178 GSVLEXPABRUOPN-WZONZLPQSA-N 475.498 0.840 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783913618 VHVNTHUOVXMUEX-VNYTWHDVSA-N 458.515 0.535 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1 1784522393 VEOIGGFJKNDJHB-FKSLSLAPSA-N 499.630 0.563 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CNC4=O)[C@H]3C2)c(O)n1 1784950833 PKDDVLSXTKNAKG-WBAXXEDZSA-N 471.514 0.051 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)OC)[C@H]2C1 1786426966 GSMHLGGFJCFEPO-XSLAGTTESA-N 465.547 0.836 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)C(=O)C1 1786705174 LORMVVZIRDXZSM-BZSNNMDCSA-N 477.562 0.349 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(cnn4C)c3OCC)[C@H]2C1 1787245698 PTTRKBPHFWSGJJ-FVCZOJIISA-N 469.542 0.999 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)C[C@@H]32)c(Cl)c1 1790229524 VUKADVRLERUDQE-QRTARXTBSA-N 459.890 0.357 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)=NO2)C1 1791022661 ZANKZEVNUBYFCR-ZOBUZTSGSA-N 461.519 0.646 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1793349784 JAGSQYZPBZDVCE-UJWQCDCRSA-N 465.547 0.250 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1cccc(N2CCOCC2)n1 1796617899 FXLGJALXRJAQDN-INOOVHSBSA-N 467.526 0.834 30 20 JCED Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)cnc2c1 1797068706 ZNCNCRQWPGWOJI-QUFBPKGLSA-N 483.525 0.735 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1797714117 MDQQTILONVTXCZ-FSNPWBFUSA-N 469.579 0.425 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/O[C@@H]3CCCCO3)ccc21 1797812032 KZZMEDIOGBABNM-YUSJBIGXSA-N 485.541 0.609 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)c(O)n1 1798354715 KSKVCJSTACQXCY-XOIINTDNSA-N 466.498 0.312 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCCNC4=O)C3)c1 1798577274 GRHPSRGMBMGLJY-UPHUGPLXSA-N 478.509 0.414 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1799221506 HUCVVSCRKMSXJE-WEMPKCCASA-N 490.601 0.751 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)n2ccnn2)C3)N(C(=O)OC(C)(C)C)C1 1801103151 FEHRMQLPWMMCMF-ZSXDVEMLSA-N 474.562 0.994 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC(C)=O)C3)N(C(=O)OC(C)(C)C)C1 1801103647 URKDYWQARLNSRG-UJCHZGTJSA-N 464.563 0.666 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@@H]1c1cccnc1 1802479135 YGSFTTCSGBYBBZ-WUDFEMJASA-N 464.482 0.748 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1806695918 YRCLPGANDLWGGS-WZONZLPQSA-N 469.519 0.958 30 20 JCED O=C(CN1CCOCC1)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1806905274 IZMCNYSJHOPULH-LCVUNBOPSA-N 459.547 0.949 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1807022250 OMHLYPFHQRZIMM-SIKLNZKXSA-N 456.439 0.864 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1807948942 KHLJXHIJFXODET-YWZLYKJASA-N 487.455 0.852 30 20 JCED C#CCCC(=O)N1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1812443299 HETOVFDVBKEBLV-VWNVYAMZSA-N 483.594 0.681 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCN2C(=O)OCc1ccccc1 1828757927 LYEMONOXVUDXQD-RUZDIDTESA-N 493.472 0.794 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828972124 IQZUWQTYCQTEHS-DANZOFFESA-N 451.568 0.728 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828972583 VAANEWZCLYHUSQ-DENIHFKCSA-N 451.564 0.766 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCN2C(=O)OCc1ccccc1 1829113486 KOUHRWJFGVPRLP-AUSIDOKSSA-N 472.498 0.136 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=S)NCC)CCN2C(=O)OCc1ccccc1 1829244685 ZCPQELZOAIZXNI-QHCPKHFHSA-N 471.583 0.556 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829308030 KJOOTYFRPVZLKT-MZNJEOGPSA-N 484.509 0.051 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)CC2=O)c1 1829636199 FNDSLFOLWBRJTL-BVZFJXPGSA-N 482.537 0.808 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(C)c34)C2)C1 1829771501 SMXWKCVSVUKXDH-POUSAUBHSA-N 467.526 0.571 30 20 JCED CN1CCC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1830006632 YFPIRDFRQHEZBF-VWMKTKPBSA-N 466.579 0.704 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1830061484 HBJPLVBMJCYCCR-WATLYSKOSA-N 470.570 0.628 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460726 UAGSGDHJRYCFDC-WMZHIEFXSA-N 457.531 0.394 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1832009825 VTSKWGIWQOSXFX-UAKUEULBSA-N 495.573 0.951 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832078812 ODZLYIBDDGQYCC-HXOBKFHXSA-N 479.530 0.320 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832498217 VVTCAAYFFBOWIY-BKMJKUGQSA-N 484.549 0.981 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnn4ncccc34)CC2)CC1 1833075200 YKEGQTLCJXQAGT-WAYWQWQTSA-N 465.558 0.773 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](CC)NC(C)=O)CC2)CC1 1833096720 AIHIUTXQFLDJDO-FQEVSTJZSA-N 450.580 0.982 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](CC)NC(N)=O)C3)C2)c(O)n1 1833699223 VYAOWRXDYLZYIN-JPYJTQIMSA-N 475.546 0.423 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835647606 ZRRKICHKCFTTTR-AOMKIAJQSA-N 499.634 0.929 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1835677559 KPGLUGFGGGDKLU-DEOSSOPVSA-N 483.525 0.173 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1835754665 NXAQRVNZUTVIOA-HRAATJIYSA-N 482.578 0.854 30 20 JCED CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)CC1 1836675983 PNNODEMNXHEURD-QHCPKHFHSA-N 475.977 0.529 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1836859523 LXYRFHJUQUUUJO-HDMKZQKVSA-N 464.588 0.826 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cc(C)cnc34)CCO2)C1 1836949351 JDVKJVJGQKHRLF-VGSWGCGISA-N 458.519 0.909 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837049709 ISMOTSGFUKPERI-MHRHTVJOSA-N 460.560 0.938 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1837116067 RGEOQZREABTUTR-IRXDYDNUSA-N 450.536 0.156 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1837397326 PFWXIFRWBWXLCC-GBXCKJPGSA-N 494.610 0.662 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1837443260 AUISPKBNWURNSX-XTVKVDEJSA-N 454.531 0.876 30 20 JCED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c2c1CCC2 1837443274 BJGUEGJHVYOMGJ-RZZUAFPKSA-N 458.563 0.451 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837443805 KBDLGQZFVQLQHF-YQNSVDCASA-N 455.519 0.271 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nc1 1837528619 LQKLXMOLVXJCTM-REWVYZQPSA-N 462.503 0.689 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1OC 1837531483 NQGGGTMYVRUEKI-HCFRLYGJSA-N 492.529 0.698 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)nc1OC)CCO2 1838177190 ZEVLOOGEEBLNPW-QHCPKHFHSA-N 461.515 0.978 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838386264 IWJCGZAQHLLKDZ-TZIWHRDSSA-N 453.580 0.209 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838436486 IMUVQJKQRJBSDO-QMHKHESXSA-N 456.499 0.387 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838791527 DCGGOCNEKVIXOG-FDDCHVKYSA-N 453.499 0.376 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2)C1 1839073885 YBXJRNKMQYXFLG-UZUQRXQVSA-N 469.579 0.929 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)CCO2)C1 1839084301 WUYWBYHVNPAHBY-FZONSQQESA-N 464.563 0.645 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1839176554 UUAPGYABQFUAFT-VWLOTQADSA-N 488.537 0.982 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)c1ccccc1F 1839233855 RHCVENDDBDMJEY-PKTZIBPZSA-N 460.506 0.937 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839384769 QIODOLXCGOKEKX-UZLBHIALSA-N 459.565 0.205 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420778 DEVYVUYFFNUHOO-UPCLLVRISA-N 496.499 0.376 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839453437 KZOXNDBIPBZJRD-JOCHJYFZSA-N 459.572 0.421 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839678096 PAHJGWFCWUKNGL-IQZTVQLZSA-N 468.595 0.950 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1ccnn1 1839712661 ITLXWFNUSZXORL-JTSKRJEESA-N 454.487 0.246 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1839784095 JAPFWPULWBJOJC-NQIIRXRSSA-N 465.503 0.345 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1839890569 GZXMLYZQHMGYSV-YLJYHZDGSA-N 469.489 0.125 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1)C(F)(F)F 1839893856 UAOQJUUYAPNZHM-IBGZPJMESA-N 453.421 0.847 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Oc1ccccc1)CCO2 1839949508 KDEASKJIFAOPOT-KXSQZTRYSA-N 457.527 0.769 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840157019 BVUCYAREQVZKFO-QYWGDWMGSA-N 473.592 0.397 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c(C#N)c1 1840232373 VCSSFJKPJNEDSR-MHECFPHRSA-N 470.526 0.092 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(N)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251636 QKWYPFJHOQVESB-SBUREZEXSA-N 480.562 0.274 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1840293352 WADADBPKFQDGPV-HZUJVAHNSA-N 450.561 0.439 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)N(C(=O)OC(C)(C)C)C1 1840609644 OPORXPJAGSFFKT-GACJPCPCSA-N 491.585 0.901 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1 1840812893 QVEIIDPYRLNCBP-HSZRJFAPSA-N 475.567 0.919 30 20 JCED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn1 1840819086 NTMMOFHKTREQFU-QHCPKHFHSA-N 467.482 0.506 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCO2 1840880693 FUXFSPQQVBTRHI-DYFZPZMNSA-N 488.541 0.745 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cccn3)C2)C1 1840908083 ADLKPYRUBZGUOR-AXHZCLLHSA-N 489.573 0.817 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)CCO2 1840955909 SBAGHGUQRMQFNG-VGSWGCGISA-N 465.547 0.538 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)cc1C 502051391 MAYJCHFKTVKUAZ-UHFFFAOYSA-N 451.552 0.905 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCNS(C)(=O)=O 524281431 WSRCPFKXDXWBPL-UHFFFAOYSA-N 480.637 0.210 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 603795320 SUQREKJVFDURAT-UHFFFAOYSA-N 468.579 0.774 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)ccc1SC 604499263 XEUPYPWJQKKYIN-UHFFFAOYSA-N 486.619 0.854 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccs1 727815043 UDSXTZVOYZKEJY-CQSZACIVSA-N 457.581 0.602 30 20 JCED N#CCOc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 727949595 WTRYRVPEAAWMPM-UHFFFAOYSA-N 458.496 0.865 30 20 JCED CSc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cc1 729673430 PFRSQFWQSFGADB-UHFFFAOYSA-N 463.606 0.458 30 20 JCED COc1ccc(CC(=O)OCC(=O)NCc2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 746534419 RPYQBOXWRSOHBA-UHFFFAOYSA-N 487.534 0.990 30 20 JCED CCCCN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 769640894 LHYWLIQCASMENP-INIZCTEOSA-N 471.557 0.196 30 20 JCED CN1CCN(c2cc(CNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)ccn2)CC1 918056989 AXVBHHWIEQWZGY-UHFFFAOYSA-N 456.572 0.969 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cc2)CC1 919662793 JVWMAJCTQFVRPL-UHFFFAOYSA-N 490.563 0.671 30 20 JCED CCCNC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1294851647 KCFSOHAADKTLAO-OAHLLOKOSA-N 450.503 0.837 30 20 JCED Cc1nc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)ccc1C#N 1337347303 WNAZFNRALBJMQW-UHFFFAOYSA-N 458.496 0.756 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1446339045 SKLGMSOAKNHHEL-ZBFHGGJFSA-N 456.590 0.680 30 20 JCED COC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1459089641 RTMCPLFORQGGBN-OAQYLSRUSA-N 450.495 0.679 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)n1 1543064393 AJMWQSIPQQYYCH-IBGZPJMESA-N 475.623 0.644 30 20 JCED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H](C)O1 1555389638 RDGBMGUHSRICTM-VQIMIIECSA-N 475.571 0.997 30 20 JCED CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1611804267 NVTIQBLMZYEGAC-JKSUJKDBSA-N 454.553 0.156 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1710888984 KNAZPUCBYPUBNH-QFIPXVFZSA-N 473.603 0.791 30 20 JCED CCNC(=O)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1746498654 LODHZONFVQBWSE-MSOLQXFVSA-N 458.544 0.707 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1770343822 PCKWGIVCDFGRIM-UHFFFAOYSA-N 457.560 0.815 30 20 JCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2)[C@H]1SC(=N)NC1=O 1778080552 JYENCBLEDHPIGB-HBBPJZECSA-N 478.619 0.585 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1778369861 ZZGHRXUJUSLVHK-NRFANRHFSA-N 459.507 0.386 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1cc(C)on1)C2 1779335896 LYIIBSUKCQUDAA-PMAPCBKXSA-N 462.547 0.800 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](O)N3CCOCC3)C2)c1 1779410803 UBIAGSUHCUFUOI-NQHRYMMQSA-N 470.570 0.655 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1781294290 JJCFFHPUKDBJPV-JTSKRJEESA-N 462.551 0.968 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)nc1 1782192626 NSQGZTZNGMTEDZ-QHCPKHFHSA-N 494.533 0.990 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1cccnc1 1783557365 FVJJYCWBHFWRTI-XXBNENTESA-N 472.498 0.565 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCC(=O)Nc1ccc(Br)cn1)CCO2 1783558341 XAFBFWVGYFEAJZ-HXUWFJFHSA-N 493.314 0.481 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(I)ccc1F)CCO2 1783567912 IEDXFTUTNZHVMU-SFHVURJKSA-N 486.237 0.962 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCCCNC(C)=O)NC(=O)OC(C)(C)C)C2)C1 1783673894 UTOBKPQFSTXJOC-FDDCHVKYSA-N 464.563 0.649 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1784043461 UIXMHZARJLHKIG-NXMSCROESA-N 476.574 0.908 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)N(C(=O)OC(C)(C)C)C1 1784090083 KCMFWVOVDOKOMH-SAHWJRBASA-N 462.547 0.661 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCOCCOC)C[C@@H]21 1784505032 IUTRAYXFRZIZFD-ANULTFPQSA-N 472.579 0.253 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369256 FJYGCPJGWCBGSD-JOCHJYFZSA-N 453.536 0.206 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785544916 CZBJAARUYLWOTQ-LJQANCHMSA-N 455.558 0.186 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)n3cnnn3)CCO2)C1 1785598748 XKXJGVHFRQJIBN-ZPGKAZOCSA-N 475.550 0.533 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4CN3)C[C@@H]21 1786858331 QXHLJQSUGGVSIS-KJJMTIBFSA-N 453.587 0.962 30 20 JCED CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1 1787197860 GREKFOWFKPDXLB-RCBQFDQVSA-N 482.463 0.837 30 20 JCED CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788743456 WQXPLNIIUVWESY-JBKFAFGSSA-N 452.552 0.800 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1 1790268844 AYPBHRPXAKFMAP-LQJIQPLVSA-N 462.572 0.788 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791072731 ZHGOAVNKEZBPMS-JCECYMMASA-N 463.531 0.748 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)CC1 1792126308 OHBMNHAXDWKSRH-ACRUOGEOSA-N 474.602 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)C2 1792484270 KJWFNBPZVRNPED-WUGZJTLJSA-N 486.594 0.545 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792629512 HVJBJQYBXCUNKC-IZZQQSIFSA-N 482.578 0.684 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccc2ccc([N+](=O)[O-])cc21 1793210714 VMSMRQNJXCVPEN-DYEKOGJISA-N 481.509 0.998 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)C2 1793340621 BYDKFWRAYFBZKU-KNJMJIDISA-N 491.585 0.783 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)C2 1793348042 XWTHFSMYJUBKHC-BCPGGHEJSA-N 461.559 0.727 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1793600116 ULHFKNXLWITMGE-CLWJZODNSA-N 475.546 0.914 30 20 JCED CC(C)[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1793605393 HGECBBSFNNVZBI-LOUJCGABSA-N 462.576 0.026 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794383306 SMERTUQCQJPSIX-DYAUPYOGSA-N 455.515 0.489 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(N4CCN(C)CC4)CC2)C3)c(O)n1 1794492097 ZHYYMLTYCIYVMX-HATOLVCRSA-N 483.613 0.889 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)cn1 1794994156 SDXFUSDPNFYPFK-WTLGNFPFSA-N 458.515 0.907 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1795519084 WZMFZHUUOPSERF-YYIAUSFCSA-N 493.609 0.282 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 1797249485 WEUKKEBFXNGSJP-KHUIQGCPSA-N 485.581 0.986 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1799390120 XJTMILDOYNSZNP-RFXPCRSYSA-N 480.562 0.955 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1800708889 VDBHIHYXBZVDSJ-LTFPLMDUSA-N 491.585 0.640 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O 1800897433 RLBKQRSTZJNOSB-NYUBLWNDSA-N 476.574 0.505 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cc1F 1801871427 QKBLCUZLIIMHCK-HHWFMCFWSA-N 497.545 0.961 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2)NC(=O)OC(C)(C)C 1801928093 JJDZBJBUNLJDSN-CLWJZODNSA-N 462.551 0.727 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2 1802025072 KPKNUWISLIDGIS-FLQYYVGBSA-N 469.538 0.761 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]3c3cccnc3)c2c1 1812717150 NCLXUIQNIZUPLZ-CYFREDJKSA-N 491.552 0.436 30 20 JCED O=C(CN(CCO)CCO)N1CCC([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828916146 IUFJBVWMMQFWDR-PESPDQJRSA-N 451.612 0.364 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)CC2=O)c1 1829638253 WGNBGJYUSXORRR-HOYKHHGWSA-N 470.526 0.808 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4ccccc4O3)C2)C1 1829773742 SMTKIOWWPAGJOP-NINAQYMOSA-N 469.538 0.695 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)cc1 1829902653 XAFOARHAAPIFGB-REWPJTCUSA-N 469.567 0.584 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1830461431 IWTDYPYJOXGGIP-QHCPKHFHSA-N 451.483 0.344 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1830466554 FMFKRHMMYDRZKV-HSZRJFAPSA-N 496.911 0.193 30 20 JCED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)CCC1=O 1832369499 BQTQHXKZADGJCK-HSZRJFAPSA-N 453.499 0.165 30 20 JCED Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833413242 BYCVGGPSOAQUCJ-HSZRJFAPSA-N 468.466 0.044 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1833474932 DJTGBUAJFIGBAP-KRWDZBQOSA-N 472.590 0.793 30 20 JCED CN1CCN(CC(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)CC1 1834716162 IJUMHOQQGSUSGR-UHFFFAOYSA-N 461.655 0.087 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)c4n[nH]c5c4CS(=O)(=O)C5)CC3)CC2)c1 1834913408 NACKGLLXHPRAQY-UHFFFAOYSA-N 485.570 0.537 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835494162 JRFLOAIPWNYRKU-WZONZLPQSA-N 455.515 0.928 30 20 JCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)N1CCN(C)CC1 1836373723 DEUCDJFVMQEHBS-JOCHJYFZSA-N 487.689 0.893 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531426 MLOUKTMVODRUEW-VRYUEXSASA-N 476.534 0.262 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1837532773 GCPGZDLEHJGDAS-ZYOISVLGSA-N 453.536 0.523 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533027 JKQAOWVSHOBDFF-FIRSQWHBSA-N 476.530 0.834 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)CCC)CCO2 1837677970 LCOSDMPBONHPII-HTAPYJJXSA-N 453.536 0.257 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)c1 1838581759 NOMWOHRIOXWKDL-HXUWFJFHSA-N 467.425 0.747 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C)n(C)n4)C3)C2)c(C#N)c1 1839131669 RBMPROOAHPWFGZ-DEOSSOPVSA-N 467.526 0.922 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)ccc1F 1839189484 NTKXTSJFLODKGS-JOCHJYFZSA-N 456.478 0.378 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839203530 NQNODJJRCDCCHR-YADARESESA-N 499.605 0.701 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839362362 NLFSZOIISDFECX-HSZRJFAPSA-N 453.499 0.879 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839435403 WKIKIKMXWQPJDN-MBSDFSHPSA-N 453.499 0.376 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839436727 KOQXEHJHXXTGAE-GSJUJJHQSA-N 498.540 0.866 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(NC(C)=O)c(O)c1)CCO2 1839472264 KVTVZHGSJVRKAH-POUSAUBHSA-N 486.525 0.279 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839579212 ZAZCVHHQXBNFCM-BUXKBTBVSA-N 452.558 0.514 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CN(CC)CC)CCO2 1839674233 OZHPBKFBXJUYEZ-BKRNEDDOSA-N 450.580 0.279 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)(C1)C2 1840005844 XFDNGJZUVHWPGM-VJXARLEMSA-N 479.530 0.315 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043541 FJHNAFZPRDQUJA-KOSHJBKYSA-N 491.541 0.228 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1840176446 JKXIHGASIQEEIE-VGSWGCGISA-N 455.552 0.683 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1840212306 FTJYPTXJAYVWOQ-JLHGSKIFSA-N 453.536 0.394 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccc(O)cc1 1840220622 VVLCVOSDUKVZND-RXFWQSSRSA-N 495.532 0.271 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840771808 QLSOELNIQLNRAO-ZHRRBRCNSA-N 482.530 0.338 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840802658 YOBKUVIIOKKCQO-QHCPKHFHSA-N 483.562 0.867 30 20 JCED CCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840818839 AIPBPGYZPLKGIL-HSZRJFAPSA-N 453.499 0.924 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1840845128 IPRHFZBDJJLFOL-WZONZLPQSA-N 467.563 0.520 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1840907446 VKOMVIJNRMEWNG-JPYJTQIMSA-N 475.546 0.256 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)C2 1841055396 ARVVREMZEXWZFV-HZMCUPMLSA-N 488.585 0.807 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2ccnc2)C1 1842509242 HYBNYZRAFNYPFI-QGZVFWFLSA-N 490.561 0.892 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1845199286 PEVYTDVITUQMMV-LSDHHAIUSA-N 463.535 0.647 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cc(I)c(O)cc2O)C1 1845548756 MSSROJLZWUXSOF-UHFFFAOYSA-N 470.219 0.607 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)Nc1ccc(Br)cn1 1848221438 VMDQUHCLWAQDTC-KBPBESRZSA-N 463.288 0.853 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)CCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)c1 30938663 CWLPUFAGANVGIZ-UHFFFAOYSA-N 496.593 0.915 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 501765450 YGONBVOGHPVTRI-UHFFFAOYSA-N 471.535 0.677 30 20 JCED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1C 510782843 PFGYDAOPZCRSLC-UHFFFAOYSA-N 473.515 0.865 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 517154740 XPTUDAXTLXOOFU-UHFFFAOYSA-N 494.617 0.761 30 20 JCED COc1ccc(OC)c(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)c1 523254757 PUZBAVYBOCFYFR-UHFFFAOYSA-N 481.534 0.012 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1-c1ccc(C(N)=O)cc1 523255022 BRYUXNUVLVMZJI-UHFFFAOYSA-N 468.560 0.634 30 20 JCED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3cccnc3)c2=O)cc1 524334620 FANPRZIWYKVLMU-UHFFFAOYSA-N 494.598 0.733 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 608828164 IUPKIRQRRIOEQM-UHFFFAOYSA-N 498.511 0.932 30 20 JCED COc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c1=O 608911936 WJHUMNVYSBWISL-UHFFFAOYSA-N 493.383 0.441 30 20 JCED O=C(CN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1)NC1CC1 726387759 YCGQUHIXRBBILN-UHFFFAOYSA-N 461.588 0.708 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3cnn(C)c3)c2=O)cn1 726962138 OXLWTUWIONJXDO-UHFFFAOYSA-N 459.491 0.573 30 20 JCED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccnc3)c2=O)cn1 727814213 OLCUQUGJCAYLHB-UHFFFAOYSA-N 492.605 0.861 30 20 JCED C#CCNS(=O)(=O)c1cc(Br)c(OC)c(S(=O)(=O)NCC#C)c1OC 727834053 CFMGNYMEONXQCC-UHFFFAOYSA-N 451.320 0.289 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 728536308 UDZSGTPURDJIKO-UHFFFAOYSA-N 474.583 0.184 30 20 JCED C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 729789665 KXKVXXKYGRPOCS-VKWHMPGMSA-N 451.549 0.275 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 746541885 DIJIFJYKNOIOKF-UHFFFAOYSA-N 458.496 0.997 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)cc1F 838691567 WUMXNMAQJJAVDQ-GFCCVEGCSA-N 459.478 0.565 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)ccc1F 914657418 IPWLCZQLAHDSPR-PBHICJAKSA-N 476.548 0.775 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2CCOC)CC1 916200187 XYOJVASWGGJVQN-UHFFFAOYSA-N 460.987 0.877 30 20 JCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1297698867 ZILXJHIHSNIQRU-HNNXBMFYSA-N 466.589 0.722 30 20 JCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1316349393 UFXQVSUOXJCGJI-UHFFFAOYSA-N 471.587 0.606 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1nnc2n1CCNC2=O 1455756910 MXJKIQUPXANCCS-CQSZACIVSA-N 459.532 0.277 30 20 JCED N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)CC2)c(F)c1 1464729751 TZAWUMMJMAGFEI-QUCCMNQESA-N 450.536 0.528 30 20 JCED CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1517325612 MABPMCSMQNSRJC-UHFFFAOYSA-N 461.592 0.913 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CCO1 1517545476 OOVBLGVSSFIYSX-AZUAARDMSA-N 497.556 0.175 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1545921400 SEQAQDBVCJLZHY-SFHVURJKSA-N 458.567 0.232 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(O)CCOCC2)c1 1649669090 MNNOXUQRUHSHRA-SFHVURJKSA-N 490.586 0.856 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(N2CCOCC2)n1 1692786206 SLUONVQVVSGKCN-MGPUTAFESA-N 478.554 0.610 30 20 JCED Cc1cscc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1693334524 KRTXQLRPFZEGPO-CVEARBPZSA-N 452.562 0.758 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CC1 1695935255 ZEBMYUDXDZKQRY-IBGZPJMESA-N 466.590 0.796 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)CC)CC1 1695938216 KXQFOZQPPNGKOY-UHFFFAOYSA-N 468.562 0.465 30 20 JCED C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)N1CCOCC1 1741854027 DXAXNZFYMPYYSY-QZTJIDSGSA-N 481.623 0.462 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749269606 UIRVARCNXWNUJU-HZSPNIEDSA-N 460.944 0.298 30 20 JCED CC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1763373601 DBCXZMNKMDWJSR-UTKZUKDTSA-N 459.576 0.934 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1778957385 QUJMNCKEYXKPEY-WAIKUNEKSA-N 457.531 0.647 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066710 CDPXLVYXHKQQJF-DFBJGRDBSA-N 493.601 0.791 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1779102345 GVRNNSPPWXSGNM-YIPJSWNASA-N 463.491 0.072 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1781311378 UGACWBMMNIERFF-YKSBVNFPSA-N 482.541 0.979 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)CCO2)C1 1781396019 NPBGRNMVNNVLDI-MIVHDCIWSA-N 482.578 0.845 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)ccc3-n3ccnn3)C2)C1 1782161478 XIDJXCNEHMFTMN-WNWNSBFKSA-N 464.526 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(C(=O)OC)cc3)C[C@@H]21 1783535651 QWEDXURNKNJJDN-VBNDLKKDSA-N 485.537 0.690 30 20 JCED COc1nccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1NC(=O)OC(C)(C)C 1783566637 GFIGTPIEBHJCKE-HSZRJFAPSA-N 488.497 0.969 30 20 JCED CC1(C)C=C(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CN1C(=O)c1ccccc1 1783566961 BUZOYWNZCAXCCV-RUZDIDTESA-N 465.506 0.765 30 20 JCED CN(C)C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783777627 IYXZANKRWFBMOZ-SPLOXXLWSA-N 472.608 0.506 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1784484718 YPRYXKCYBUVQFU-DRMAHVMPSA-N 478.509 0.202 30 20 JCED Cn1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)c1=O 1784732304 LQFHZAXPGQCLOG-CUWPLCDZSA-N 450.495 0.929 30 20 JCED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785032456 JCJHIAYBIOUOFZ-UFYCRDLUSA-N 453.605 0.465 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785309648 NQJBFQNOOBOVHO-VFNWGFHPSA-N 453.540 0.344 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785329036 ZBPQZYRCUIVDQP-BTWZCHHXSA-N 458.515 0.011 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785349635 IAJVRJKMUCNNJK-UQBPGWFLSA-N 494.633 0.942 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1785572968 UNIVUKPROSIQPO-HJPURHCSSA-N 475.546 0.341 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785669923 RVTPPFTXTZRQFH-DEOSSOPVSA-N 476.574 0.699 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787092237 IZRCRZJZEYSIEP-VJANTYMQSA-N 489.577 0.350 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1789906256 GMXWVCABYQQTOO-NXOAAHMSSA-N 467.567 0.494 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 1791261485 MVFIHXAZAKMHAX-JKQORVJESA-N 494.618 0.940 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1)C(F)(F)F 1791543602 HAEWMYWGZLBRFP-LLLHUVSDSA-N 457.453 0.555 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)c1ccc(C)cc1)C2 1792485727 PZZLRUQJXXCECA-ROAZTASUSA-N 475.567 0.217 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793220339 HQUYZUXIHOTUNO-BTJLKBTPSA-N 495.621 0.979 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)OCc3ccccc3)C1)C2 1793347938 QKLUQIKOMYSIGV-HLRQEUIKSA-N 469.538 0.883 30 20 JCED CC(C)[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1793614711 YLABFTAXHSEIGX-LSFSDZQMSA-N 468.645 0.759 30 20 JCED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)n(-c2cccc(=O)n2C)n1 1795410098 LGOXNQDMRDDGBZ-CWPLJXCYSA-N 450.499 0.386 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1)C(F)(F)F 1797105131 WHJHIKLBWUPTNR-JJLQDPRZSA-N 476.415 0.893 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C1 1797120355 OWPCWSBQSHHJEC-TWHPPBISSA-N 461.559 0.607 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)c1 1797815957 BJMODTOZEDDXGD-GEOOHVNFSA-N 497.545 0.961 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1797818017 GYGNYEXVRNPSTG-FRJNNTLXSA-N 475.498 0.935 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Br)c(O)cc1F 1798606750 WQTOMJYKMDLBKA-PCCFMPIBSA-N 455.236 0.585 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1799232260 WZZBUWZZCCSQIU-RCJHGTSTSA-N 475.546 0.149 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c(C(=O)OCC)ncn2C1 1800324513 HDMUEDNDGFJHBW-CBNQQXHVSA-N 474.558 0.803 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)C2)ccc1Br 1800526313 QCJWCSYUZXXSCA-AFIMGQEJSA-N 461.316 0.660 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C(C)(C)C 1800778753 PAPFOVRHKXVFCJ-QOIOWGMHSA-N 465.547 0.994 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1800984857 JEMZWVCHCXPFLK-KVWRPFDZSA-N 471.620 0.902 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)[C@@H](O)C1 1801979093 CNPCRONCWGNTIL-PJVZLEMVSA-N 476.574 0.888 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C2 1802023162 YSVIWVOCHZJJKA-WQDJSCAQSA-N 459.547 0.849 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1804092046 XWDLGYINFSTEAS-WXCIHYHASA-N 472.502 0.168 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1812718039 YOWYNXCNZDDNRU-GGAORHGYSA-N 451.527 0.559 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)NC(=O)OCC)sc2C1 1819470813 QMDNEKBUNQTVAI-APPDUMDISA-N 454.505 0.629 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1819907027 LSLNWIDHNKAVTP-GRSVCBPLSA-N 461.500 0.509 30 20 JCED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1819951590 FULLNIYACYMDFP-AUXCUJNGSA-N 467.471 0.207 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)NC(=O)OCC)[nH]n1 1820895945 RGSSPNZTDIEUNB-KDOFPFPSSA-N 451.480 0.976 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNC(C)=O)CCN2C(=O)OCc2ccccc2)C1 1829300874 OBCXQQNBSODNSC-DFBJGRDBSA-N 484.553 0.613 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1829352266 RGBCMABPOLJNPO-XMMPIXPASA-N 483.525 0.566 30 20 JCED CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1829891190 ZTFMRPRFBQLWIK-CVUWTOEQSA-N 452.552 0.314 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352429 ISTJYVJKBUXQHU-OKFYXZINSA-N 493.626 0.577 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C1)C2 1831221558 RWIMEPGQIHFMAZ-DFBJGRDBSA-N 484.553 0.492 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)C2)C1 1831402463 HWHZABZRMDVNEO-UDYZQQPESA-N 491.585 0.879 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1831426770 JYGRRYDQIUQAOT-BXKMTCNYSA-N 472.542 0.538 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1831437346 DDKJTSFHHUGEEV-VGSWGCGISA-N 455.552 0.949 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1831485052 MNKGWURRRKMRHV-ICSGCJEQSA-N 480.587 0.404 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN(C)C(C)=O)CCO3)C2)c1 1832294080 SCIQUTZRDXMROU-QHCPKHFHSA-N 458.515 0.505 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1832729535 HQLZRQVVMGKKDE-RUZDIDTESA-N 477.521 0.762 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1 1833468700 VQGWWKZBQCWJLW-DEOSSOPVSA-N 466.494 0.660 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1833482574 BMULRRRXUQSENE-LPHOPBHVSA-N 457.637 0.812 30 20 JCED N#Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)CN4CC(=O)NC4=O)CC3)CC2)cc1 1833710644 UUERVJCGDWGAEU-UHFFFAOYSA-N 480.569 0.614 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)cco2)CCO3)c(C#N)c1 1834606222 NXRZXGNYWXIMFI-XMMPIXPASA-N 467.478 0.833 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccoc3I)C2)C1 1834757971 CZMYDLGIUPDIRD-INIZCTEOSA-N 459.240 0.868 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1F 1835349683 QMVXETKTRHWFFC-NRFANRHFSA-N 465.503 0.603 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642167 JDBFTWGFILCKGO-STXHMFSFSA-N 460.597 0.003 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCNC)CCO2)C1 1835668264 YPTMHPINYRRAID-JPYJTQIMSA-N 466.579 0.359 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1835674270 IAUPIDUAVRDZFA-HXUWFJFHSA-N 452.943 0.275 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1835674769 MOFBCJKHRHTQRK-JOCHJYFZSA-N 487.586 0.625 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835710773 YXHPIYQDMSCERQ-MQQGDBGKSA-N 480.610 0.795 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)n1ccnn1 1835768302 XRQILBUMEADFJR-GAMFEZQLSA-N 461.567 0.940 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836047565 RCGZWJFXNDYXQZ-UHFFFAOYSA-N 458.563 0.744 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1837122663 RREWFQGUBNXQNI-CJDPIKCHSA-N 471.514 0.933 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1)C(=O)O 1837428806 GSFMINGKTSEFAR-PGRDOPGGSA-N 467.639 0.557 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1837430032 GOVZYOFYTKYSGC-QHCPKHFHSA-N 487.633 0.697 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837443409 JLGDSDGXPSJQOS-ATECVPQESA-N 469.586 0.629 30 20 JCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443850 LFINSHXOGHWIIV-QBXUWSICSA-N 485.585 0.944 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1837502776 OKDBYIBZSSRWCF-DENIHFKCSA-N 452.504 0.131 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1837531465 NHSDEPFPXDLUIK-RTAVMZEGSA-N 498.483 0.842 30 20 JCED O=C(CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2)N1CCCC1 1837559705 CAVJATTZGOAJSL-NHMXVPMISA-N 460.531 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cc(Cl)ccn1)CCO2 1837649503 GIBVHXIEQIONLD-BNOLWBGWSA-N 478.933 0.429 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)NC(=O)C=C)CCO3)c(O)n1 1837694479 DBPLRLJFMMXDCW-BXKMTCNYSA-N 472.542 0.667 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837701655 VIJLPPPRGNRVGS-NYHFZMIOSA-N 460.918 0.972 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)Cn5cnnn5)CC4)CC3)c2c1 1837967939 GMVRBHHZCXEZNF-UHFFFAOYSA-N 463.502 0.733 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1838408565 NLLYWRGQCBBFHG-JHXRPTDYSA-N 462.547 0.848 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)CCO2)C1 1838443423 OOBPZFIMUGJMQX-IQMFZBJNSA-N 485.566 0.885 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838639002 XLNCZNHWCQZZGN-JOCHJYFZSA-N 460.607 0.891 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)CCO2 1839043715 OYGLWAKPQRGSDU-XMMPIXPASA-N 482.537 0.451 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1839109877 YSIMMZJKTRSXTI-RNHFSVANSA-N 493.601 0.864 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1839174904 CMRJCVTXWMMKAH-FDDCHVKYSA-N 461.515 0.375 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1839174929 FBPXALAMVXPSQS-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1)n1cnnn1 1839424900 HOYJUYCXIZTMHV-JLTOFOAXSA-N 459.894 0.529 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839578211 WHUDNAOVIMLVEC-OYHNWAKOSA-N 491.570 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3cc(C)ccn13)CCO2 1839601003 ZQTBTKKFNLFLFQ-UUMVVRSSSA-N 467.526 0.571 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1)C(F)(F)F 1839891242 SQJQFQYAJQLYSE-NRJQMVOHSA-N 499.486 0.741 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nn1-c1ccccc1F 1840042087 ZLHVXEZZNHWISL-HSZRJFAPSA-N 486.456 0.178 30 20 JCED C[C@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CN1C(=O)OC(C)(C)C 1840044873 DJLOIENSMVIZAY-RHGYRFJNSA-N 493.557 0.566 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045163 UPEWKOZGLNEBKL-ZGNKEGEESA-N 477.514 0.000 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1840108394 WVNKVJIQBAFZMA-PMAPCBKXSA-N 492.577 0.765 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOCCOC)C2)C1 1840174394 BBXNCRFQTIQEHQ-QFIPXVFZSA-N 458.552 0.105 30 20 JCED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840199532 CVLAYDDZHQQHHQ-NQIIRXRSSA-N 451.520 0.881 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)cc1 1840381046 KNBSMCGNGWCVCU-NRFANRHFSA-N 456.528 0.733 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)c5ccccc5C4=O)C3)C2)CCC1 1840812279 IPOSRPPTKTYIDS-RUZDIDTESA-N 480.521 0.823 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1840881119 DFEAEUKWFFXXGU-ZGVNINRLSA-N 468.466 0.787 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1844157643 ZQLGAJUCHZYCAK-CQSZACIVSA-N 455.393 0.854 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1847259905 FKHCZXXYECGMPU-FFVCWZSPSA-N 496.630 0.709 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](COC)NC(=O)OC(C)(C)C 1847261241 BEIWKGUJNRDWHT-QLRDQERUSA-N 450.536 0.586 30 20 JCED Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 512393567 SSPKOOXQFSKZGM-UHFFFAOYSA-N 454.555 0.722 30 20 JCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 514480325 RAFOVLATJGINHJ-HOTGVXAUSA-N 479.559 0.394 30 20 JCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CCN(C)CC3)c2=O)cc1 516374963 IBBGXVWOQIKYJJ-UHFFFAOYSA-N 470.595 0.841 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 522530784 UMSQSNQAFPTKIJ-UHFFFAOYSA-N 478.530 0.272 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 523088798 CVHJWOTVSPKBJU-UHFFFAOYSA-N 473.551 0.754 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCc1cccnc1 609039033 ZGQXYMZHUFZRKG-UHFFFAOYSA-N 491.529 0.818 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 726042603 LFIXBVALPWBKPT-AWEZNQCLSA-N 469.454 0.331 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC(C)C)cc1 726582249 ADJHMZBAQIYDSW-UHFFFAOYSA-N 467.551 0.685 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1cccnc1 727814315 QFMVZZRAOKUMRY-UHFFFAOYSA-N 450.568 0.927 30 20 JCED COCCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 730725129 QZIRJOCTSNVXBV-XGTYDZQNSA-N 492.583 0.989 30 20 JCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914652755 GZLKZZUDHWDHBR-SJORKVTESA-N 494.570 0.530 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)CC2)o1 915373053 USVMBULGQMFNMA-UHFFFAOYSA-N 472.502 0.643 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(CN4C(=O)CNC4=O)c3)CC2)o1 915384788 AGHMLIHKWJVREN-UHFFFAOYSA-N 466.454 0.412 30 20 JCED Cc1c(NC(=O)[C@H](C#N)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C 916960966 KFIBAGLHPJLZGY-OVWALXMSSA-N 473.489 0.939 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)CNc2ccc(C#N)cc2)CC1 919627678 AHWLATDPIFXHKC-UHFFFAOYSA-N 461.500 0.651 30 20 JCED COCc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1301174578 NAJXXZQVCLLUMU-MOPGFXCFSA-N 476.559 0.534 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1316089354 FKSNPROEPSORFV-SIKLNZKXSA-N 475.571 0.856 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1503283122 YBRGSZKUMMWWJT-UHFFFAOYSA-N 487.565 0.955 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1507854105 NAZIJPDTHMTYFV-WBVHZDCISA-N 482.010 0.989 30 20 JCED CCc1nn(C)c(CC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1513767745 VIZVTOUNGZMYED-RDJZCZTQSA-N 489.650 0.971 30 20 JCED COC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)OC 1555257059 VATHGVIQGDWLPT-SJORKVTESA-N 456.569 0.402 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(C(=O)N2CCOCC2)c1 1567902886 GHBQOZQMIZXXNY-UHFFFAOYSA-N 456.524 0.904 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1631778055 SXXJHPPDBRCEDX-HOCLYGCPSA-N 456.590 0.632 30 20 JCED CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1712708183 QLOQTOFDYREFIC-GOSISDBHSA-N 487.586 0.441 30 20 JCED C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1724015805 NQOKLUWSRZYSCJ-UTKZUKDTSA-N 457.560 0.942 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CCO1 1748223885 XVXRRCZGBYEBRZ-GDTDKIKOSA-N 472.571 0.981 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(F)(F)F)C1 1750211697 RGCDLEWBENDDNE-ZIAGYGMSSA-N 463.486 0.350 30 20 JCED CN1CCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1(C)C 1769076875 ILQSERNQKYRPHR-IBGZPJMESA-N 494.666 0.377 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)CC1 1778352550 SERPUFGYUOBXJV-VWLOTQADSA-N 467.570 0.485 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cc(CO)on1 1780217909 IBTZIMKYYZESLN-FSKCDILFSA-N 450.492 0.823 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1781295759 PJXJABUYRMOYPG-HJPURHCSSA-N 496.561 0.219 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1781964623 OAYJZYVOPXWRLM-HZCFWTAGSA-N 475.542 0.845 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783142832 SEXNJDVSVAOTHE-MBSDFSHPSA-N 464.563 0.649 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783567600 SQVMBDYCGYOHLM-WMZHIEFXSA-N 489.550 0.066 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)NC(=O)OC(C)(C)C 1785303638 BYRIKWHMJGYAAT-KSFYIVLOSA-N 452.552 0.764 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CCO2 1785421200 NHKLWPQSWHFLTI-HSZRJFAPSA-N 467.563 0.788 30 20 JCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1785428491 ARBSIRTWAVBPFR-SFYKDHMMSA-N 456.499 0.502 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1785608549 URTBMCHBXJFIQP-UQBPGWFLSA-N 484.553 0.637 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C(=O)C1 1785669196 AJYQTRLDLGSBPK-QFIPXVFZSA-N 463.535 0.199 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785746735 MCZAMXGMAYAWGA-HXOBKFHXSA-N 463.531 0.942 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)C1 1788094066 FGCVMKHVMNZKTH-OYSTVDSJSA-N 464.563 0.888 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21)c1ccc(O)cc1 1791331453 XPUNXSZDGQPAJB-QIJZPMMNSA-N 482.537 0.421 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1792258086 RNQHHTFNRJYCCE-HAGHYFMRSA-N 486.569 0.745 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cccnc3)C[C@@H]21 1792258117 SEVYHKWVQDKVKD-KGWSWXIGSA-N 499.612 0.848 30 20 JCED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1795274800 UQRGEMGVYLCNLR-VSVJTWGKSA-N 487.560 0.663 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795388123 LKEHRCQQXDTKEJ-ORDFZIBCSA-N 450.536 0.324 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2sc(N)nc2c1 1795656573 KULAYEWEJOVFHQ-XTLOUAGDSA-N 455.540 0.940 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]nnc3n2)ccc1F 1796571884 UEVASWBKMKRFFW-QDMKHBRRSA-N 450.434 0.318 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)C1 1797120485 FZSNJOOSCFGFFB-MDMSPXHWSA-N 462.547 0.498 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1799320730 PEYUEXFYANVEMF-JWVYWZTKSA-N 457.483 0.227 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(CC#N)cc2)n(C)c1=O 1800541231 HOBLEUUJHDFKPB-REPLKXPHSA-N 489.536 0.452 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCNC(C)=O)N(C(=O)OC(C)(C)C)C1 1800541392 CVLDCVIDGVWQMJ-DMUMMCEESA-N 464.563 0.668 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1800825448 YJSKNNKNXBHLLB-BIWGCHKCSA-N 450.536 0.640 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1)C(C)(C)S 1801070409 AHGXUDYGKBIXIT-ONMISFSYSA-N 498.646 0.704 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1802129108 ZCSSWONXROPNPT-RPXQCPFCSA-N 481.546 0.108 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803918908 RPGBQNCROMGVIQ-GCJKJVERSA-N 466.542 0.684 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803918911 RPGBQNCROMGVIQ-PGRDOPGGSA-N 466.542 0.684 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CN4CC(=O)NC4=O)[C@@H]3c3cccnc3)c2c1 1804189865 FEIQXIOGRKKANW-ZHRRBRCNSA-N 486.492 0.701 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)C1 1809773015 QHTKZKGSTJTZDG-UHFFFAOYSA-N 454.535 0.544 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1817183589 GGABHVVMMXBOEI-YPMHNXCESA-N 466.516 0.683 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1817315259 KHFYGRMBYCXHAJ-AWEZNQCLSA-N 467.494 0.123 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)COCCOCCOCCOC)sc2C1 1825789432 YLORROHAKJFYCY-IRXDYDNUSA-N 483.587 0.790 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C\C(=O)NCC=C)CCO3)C2)c(O)n1 1829763935 GECWJEZGGRLQHY-JRUKXMRZSA-N 484.553 0.834 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1829809163 SEQPHGRIYBGRRT-WICGUQQKSA-N 489.573 0.977 30 20 JCED CC(=O)c1ccc(OCCCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1830893646 HPFJEFWBMFJXAH-XMMPIXPASA-N 472.494 0.593 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Br)c(CC)nn3C)C2)C1 1831393030 JEKVHUDIGBJSPW-YCRPNKLZSA-N 497.390 0.853 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1831396645 ONSPRFAMVUJICK-NLSFWIRASA-N 457.483 0.216 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(NC(C)=O)c3)C2)C1 1831397759 XDGARZSZIBAFIF-MZNJEOGPSA-N 473.526 0.762 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831420960 AVQHOLRIGROVCO-CYFREDJKSA-N 474.558 0.579 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1831433868 NTXATAMPOKOSQZ-NANGSVCXSA-N 487.597 0.669 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)CC2)CC1 1833056342 LJJRMZDHNAYERQ-WOJBJXKFSA-N 462.591 0.809 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(NC(C)=O)n3)CCO2)C1 1833334186 DGHVIJUFDPXWSN-MBSDFSHPSA-N 460.531 0.683 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1833335266 RXUBUMOQFGVITL-HEXBWUFUSA-N 489.529 0.639 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1OCC1CC1)CCO2 1833624986 YEWASMPMXBLOFW-UTBBOMKLSA-N 484.553 0.799 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](N)c3ccccn3)CCO4)c2c1 1835705786 LATBEMURVDHMJG-RDPSFJRHSA-N 475.509 0.600 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835710776 YXHPIYQDMSCERQ-WKUHJGIQSA-N 480.610 0.795 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1836215604 FQNDVCFROPPLHD-OSAWLIQMSA-N 473.592 0.131 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)N4CCOCC4)CC3)CC2)c1 1836258998 ADRLXFMWCDRWDK-DEOSSOPVSA-N 455.559 0.394 30 20 JCED N#Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CN4CCS(=O)(=O)CC4)CC3)CC2)cc1 1836287879 RUUCIQXUMPAAGA-UHFFFAOYSA-N 487.626 0.474 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2)C(F)(F)F 1836380916 MRCSVMUTTUMDMV-LJQANCHMSA-N 491.488 0.815 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837401242 WJANFPPIGRLSKO-KPZWWZAWSA-N 461.441 0.467 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1837405494 SALWTUFJZDBSJW-NBGIEHNGSA-N 473.570 0.836 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)C1 1838026839 ZZDQPIPOOCGWQZ-GAJHUEQPSA-N 453.499 0.580 30 20 JCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CC2)CC1 1838744717 UHYYVHMMXORNEY-LJQANCHMSA-N 493.605 0.960 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1839222865 CXHZAGQPPMIKGI-VBURHUQHSA-N 491.545 0.250 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC)CCO2 1840143547 XYCRLAXNBRSSEQ-IMWIBFENSA-N 478.542 0.708 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1)c1ccc(O)cc1 1840222688 XRAKOCQEMBXUHX-WZONZLPQSA-N 458.515 0.014 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H]3CCNC(=O)C3)CCO4)c2c1 1840234493 YAELGAVWSRVFSL-MWTRTKDXSA-N 466.498 0.031 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1840279443 XYCFABXXJIFCRB-DEOSSOPVSA-N 466.494 0.986 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840294885 RNSPTALLDOBZNU-ZYLNGJIFSA-N 493.601 0.864 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1840944802 AXJVGNWFFIIOSA-OAQYLSRUSA-N 466.510 0.706 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1844215416 DBVVOOQJHPWIAV-IXDOHACOSA-N 480.562 0.766 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1847102667 KMVFOHZLZJDLHD-GOSISDBHSA-N 483.573 0.681 30 20 JCED CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)n2C 104990892 PRZCDBIXKLBBJG-UHFFFAOYSA-N 488.526 0.772 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc3c2OCO3)c1=O 511145664 VSASPMQYSCKIMM-UHFFFAOYSA-N 498.605 0.732 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(OC)c(F)c3)c2=O)cn1 523178679 FJHHYTLSHWCDMA-UHFFFAOYSA-N 483.525 0.625 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc4ccccc34)c(=O)n2CC(N)=O)CC1 608911249 VOQKQNMPZIBPEC-UHFFFAOYSA-N 481.603 0.277 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 608911622 CDQQPORSACGLKT-UHFFFAOYSA-N 454.533 0.997 30 20 JCED CCCOc1c(Cl)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1OC 608912691 ZQUBYSSBFGTEQX-UHFFFAOYSA-N 492.985 0.874 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)CC1 728536184 NKYQGSAIQWTXEV-UHFFFAOYSA-N 450.561 0.233 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cc(C)n(CC)c3C)c2=O)cn1 728557632 NDRPMTLAVCDYGK-UHFFFAOYSA-N 468.583 0.819 30 20 JCED CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 743434349 NJIQVIWMTRBGDY-PWEHGMCJSA-N 463.560 0.813 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 745339444 XQMYARMPWODEBA-UHFFFAOYSA-N 480.546 0.941 30 20 JCED Cn1c(=O)c2c(ncn2CCOC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n(C)c1=O 748408116 ITRWOAALMSRBCY-UHFFFAOYSA-N 459.484 0.368 30 20 JCED COCC(=O)NC1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 918587629 OBMLVEWPCIJFRD-KRWDZBQOSA-N 450.561 0.893 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C 918823588 IUKZYPMBKCLVSC-ZFWWWQNUSA-N 452.533 0.276 30 20 JCED COC(=O)Nc1ccc(CNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 918872822 UJUIJYAYTVZQIP-UHFFFAOYSA-N 460.468 0.763 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCSC1 1303642749 YMJIXSNLYNMBTN-GPMSIDNRSA-N 471.653 0.787 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)=O)CC2)CC1=O 1316119087 UWGPKXATWRWNDU-LJQANCHMSA-N 451.531 0.980 30 20 JCED CC(=O)N1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C)(C#N)CC2)CC1 1508277904 JIBNQJIFQDFVRG-GOSISDBHSA-N 463.608 0.474 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccs2)CCO1 1521130259 UCVNJLALJRACIR-UONOGXRCSA-N 450.546 0.400 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1545929192 SHHJZIQQSABFHO-ZBFHGGJFSA-N 453.569 0.207 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1620168672 OETZUVNVLCZGNE-UHFFFAOYSA-N 467.502 0.670 30 20 JCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(O)(CN3CCOCC3)CC2)CC1 1645074129 XOLFKTPHNXZDHS-QFIPXVFZSA-N 459.566 0.694 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCOCC1 1698048424 SDNSREZYZIVEED-UHFFFAOYSA-N 469.546 0.800 30 20 JCED CC(=O)N1CCN(CCn2c(N3CCN(c4c(C#N)c(C)nn4C)CC3)nnc2C(C)(C)C)CC1 1706004378 KZZWIUMXGQLGOC-UHFFFAOYSA-N 482.637 0.980 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1706078493 XRAJPTRKOOQSGD-DNVCBOLYSA-N 487.586 0.541 30 20 JCED CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCOC1 1728780174 PJQJLOBCKMSNDP-YLJYHZDGSA-N 452.581 0.952 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1729344437 OGSDUTMFJKXPNP-HOTGVXAUSA-N 483.595 0.970 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1750208899 ZFILBEGPUWOZQI-MJGOQNOKSA-N 471.543 0.882 30 20 JCED CC(F)(F)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1751184729 XFBOROXCMRHVFV-HOTGVXAUSA-N 473.550 0.833 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1763203972 IKGHKXAAJPGJKJ-WMZOPIPTSA-N 457.560 0.813 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1778080836 OWJIUNDIAOMEPG-QQMNAOGKSA-N 464.563 0.984 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778090274 LYIQOWXVMWWJCP-XMSQKQJNSA-N 485.603 0.435 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778166919 LEWTZOORYIAKGT-YADARESESA-N 456.543 0.743 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105704 MTZQOUIMGMGCTH-FZHMTJSVSA-N 498.577 0.621 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1779201720 VELJXWWDDOECSY-JMUQELJHSA-N 474.514 0.515 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779953707 LFMKWVIWVSYBAF-FFCJBUTOSA-N 455.496 0.912 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCNC(=O)OC(C)(C)C)[C@H]2C1 1784198452 FNMVKZWRFRCZMN-UFYCRDLUSA-N 481.590 0.937 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCO2)C1)NC(=O)OC(C)(C)C 1785308359 IGXDGZJWHGUXNO-VGSWGCGISA-N 455.552 0.685 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1785572065 HJKKZZISQPCZOG-SBUREZEXSA-N 459.499 1.000 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622424 JBKPKYNXUOFUCL-VFCRVFHLSA-N 487.623 0.476 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nccnc4C(N)=O)C[C@@H]32)c1 1790226239 PUUOYFOKICKWPF-QRTARXTBSA-N 452.446 0.493 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)ccc4F)[C@H]3C2)CC1 1790227378 PYAKQULCLRZGRZ-VCOUNFBDSA-N 471.533 0.455 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)C[C@@H]32)cc(C(F)(F)F)c1 1790258790 ULQGHEWOJLEONU-CTXVOCDESA-N 466.460 0.893 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072367 GIOOGUWNMWCXQM-XSLAGTTESA-N 463.531 0.844 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793263012 ZQEUOBFZAFQTFR-UKBAYJJMSA-N 463.531 0.446 30 20 JCED CC(C)n1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cc1C(=O)O 1795597910 KAEHXQWCPQLOGQ-JLVBRIDZSA-N 460.535 0.647 30 20 JCED Cn1c(=O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)nc2ccccc21 1796996839 WUJZMIOQPWMZLU-VDNFSCKISA-N 483.525 0.666 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1 1797152814 ISHJSXZPTRFKOY-BFUACXKISA-N 455.511 0.371 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1797588354 ZHEOEVUBZQJVOU-KPEUIFRASA-N 484.431 0.845 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2)c1ccccc1 1797879995 PUOBONHCFNYMQZ-KHUIQGCPSA-N 457.571 0.060 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncccc1Br 1798184344 XVJNWTCLKOBHJL-IDZYNVOGSA-N 463.332 0.906 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC=O)NC(=O)OC(C)(C)C 1799295305 MMVIWESCQLPTJZ-QLCXLMDBSA-N 452.552 0.570 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)C(F)(F)F)C3)ccc1F 1799327160 BAGSFGJFZOTKKG-ZSBFGKGUSA-N 456.396 0.508 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2)c1ccc(O)cc1 1801049593 FLDQIZDEIAYZTA-XWQURZDVSA-N 456.543 0.750 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2)c1ccc(O)cc1 1801056077 IGDBIIYFJOWGEY-CROMWVBPSA-N 472.611 0.963 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1802024904 CUZNLDVCKGEGCO-UPHUGPLXSA-N 462.547 0.069 30 20 JCED C=CCSCC(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804170959 QIBPINYHNCEYFN-WIYYLYMNSA-N 466.629 0.737 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807120129 JPWAYKCNHMNNRG-DYXWJJEUSA-N 497.600 0.844 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CNCP(=O)(O)O)[C@H]3c3cccnc3)c2c1 1812069747 KKPXOUYOOSYZPM-KKSFZXQISA-N 497.452 0.874 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]3c3cccnc3)c2c1 1812070082 XAMFXEZZPIRQBU-SGXKBVARSA-N 474.525 0.742 30 20 JCED C=C(C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1)C(F)(F)F 1812676849 IJZOFNOHGLUIIU-DZGCQCFKSA-N 450.354 0.931 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC3)c1 1821384120 BLDIWNUGDHZRHO-ZFWWWQNUSA-N 456.528 0.842 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828811259 XJGCUWXSOLAVLG-ZEQRLZLVSA-N 486.525 0.968 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)CC1 1828921568 ZAVMXOVHXVXEKG-DFBJGRDBSA-N 479.537 0.878 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncon1)CCN2C(=O)OCc1ccccc1 1829167940 BQFKKTMQAMIMDX-QFIPXVFZSA-N 467.438 0.223 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332519 PVHNWLINZVSRLQ-AVRWGWEMSA-N 498.536 0.393 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1829352427 UVCXISHSRRUFOY-UUOWRZLLSA-N 483.525 0.613 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628576 QMCMONKLDJIBJS-MBSDFSHPSA-N 492.598 0.275 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1829764762 UZHFGHXILFWZOZ-LJBSOROUSA-N 460.556 0.489 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nc(CC)c3)C2)C1 1829766059 JANUCYMUNBWNLQ-POUSAUBHSA-N 456.543 0.881 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830469607 BXYNAAYDIACRRD-XZOQPEGZSA-N 478.929 0.764 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO3)C1 1830569393 WGLLCZUZJMWAAC-VGOFRKELSA-N 453.536 0.295 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3cccc(Br)c3)C2)C1 1831397354 RDTKOQBKGPFDHK-ZWDAVXSWSA-N 495.370 0.977 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1831431965 IGDWLMCQXYXGDF-UUOWRZLLSA-N 476.526 0.497 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1831438616 UKTRIBFOEPOQAD-YADARESESA-N 459.543 0.854 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1831485247 SGHYDSNXIIEJBA-YLJYHZDGSA-N 455.602 0.889 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832190651 HHKPPSMQXWHQJP-CLKOVTOYSA-N 455.405 0.872 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832819926 ZYLROGLLPOOKAP-NTKDMRAZSA-N 489.573 0.715 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833224607 DPQVOBFPZWTCTM-KSFYIVLOSA-N 478.550 0.355 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1 1833469264 NVKCAZYZWYLRHX-KRWDZBQOSA-N 473.530 0.366 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cn(C)nc2OC)CCO3)c1 1833864772 LCTPSFQJQPQLQT-QHCPKHFHSA-N 469.498 0.693 30 20 JCED N=C(N)SCC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1834654037 ILWSOTVTRDTHNW-QNDYCBLQSA-N 454.597 0.714 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1836474728 DQQGTAVKGXGLNX-OQUIVNFOSA-N 490.607 0.970 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1836844797 FZTXRRYPQORWJK-QFBILLFUSA-N 473.636 0.886 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)cc1 1837319035 IFAYJLOWLGMNQO-LJQANCHMSA-N 455.389 0.734 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1837493430 FCVYLEJFVORSKV-UQBPGWFLSA-N 470.570 0.670 30 20 JCED Cn1cc(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837527898 ZUHNCCRVSIIEPY-BTCHJHNJSA-N 463.535 0.338 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837758965 HJXLRMCFUARBEF-KSFYIVLOSA-N 463.535 0.796 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595716 ZCWWCYQEPOXFOZ-YCRPNKLZSA-N 483.974 0.962 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)ccc1F 1838640634 MHCGBTBANKAPQG-JOCHJYFZSA-N 455.446 0.093 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4sc5nccnc5c4N)C3)C2)c1 1838736034 FVHPQFIRENGORW-NRFANRHFSA-N 467.511 0.857 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774005 JUBZCTCRMDIYFP-GOSISDBHSA-N 491.541 0.999 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CS(=O)(=O)N4CCCC4)C3)C2)c1 1838906900 LUWZEIANDWFALM-QFIPXVFZSA-N 476.555 0.054 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1839130789 UQBPLRUWQDFKTD-AXHZCLLHSA-N 480.606 0.734 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(=O)oc4)C3)C2)c(C#N)c1 1839131846 CKMMNOYCKPRRAN-XMMPIXPASA-N 467.478 0.833 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187536 IJECISJZAGUJIV-HXOBKFHXSA-N 470.505 0.624 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)cc1 1839362744 LZMCORWMISQNPK-HSZRJFAPSA-N 464.482 0.025 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](N)c5ccccn5)C4)C3)c2c1 1839488074 VXWGCFXYHBDZSE-GBXCKJPGSA-N 475.509 0.600 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1839671314 YERAWIRPFTVOCI-OSPHWJPCSA-N 481.509 0.958 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3n[nH]c4cc(Cl)ccc34)C2)C1 1840043236 MMCQQFVJANEGSM-NRFANRHFSA-N 460.874 0.303 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1840218606 JUKRROBGIWHATJ-GOTSBHOMSA-N 478.546 0.118 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1)c1ccc(O)cc1 1840220888 IJNNJNHWKJSBIT-PIBDYAPNSA-N 486.569 0.793 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1840277499 FSTISRJHLXHNBM-VWLOTQADSA-N 486.569 0.754 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO3)C1 1840882372 HMHLDAMOODXWNB-KOSHJBKYSA-N 495.573 0.865 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1840957785 VBOIBYYODWUFFM-DEOSSOPVSA-N 456.495 0.722 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)C2 1841053087 UUDGDSKHKOCGTQ-WAYWQWQTSA-N 468.558 0.763 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OCC)C2 1841747358 OOXWPCNWXFMHEJ-GJZGRUSLSA-N 454.524 0.724 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842918908 AUPRMADLNVMJBL-MJGOQNOKSA-N 455.559 0.651 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)C[C@@H](NC)C(=O)O)C2)N(C(=O)OC(C)(C)C)C1 1842954878 SSLRIKRIVRZYHZ-CVEARBPZSA-N 450.536 0.818 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)Cn2cnc4c2c(=O)n(C)c(=O)n4C)C3)c1 1845521935 SKXSGULRXROITL-UHFFFAOYSA-N 475.509 0.131 30 20 JCED CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846253620 SEQYVDHBANDSAU-KRWDZBQOSA-N 478.546 0.478 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1847258692 DDXCKSTXPAQWQS-BJDURDIASA-N 450.536 0.322 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1847261671 ZAMLAJRQEAEWHA-OXLFWHROSA-N 462.547 0.417 30 20 JCED O=C(COC(=O)c1ccccc1-n1cnnn1)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 9840458 ZWROKJQBXJEOOA-UHFFFAOYSA-N 469.483 0.928 30 20 JCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 505987240 PCDCJSZOMZXFPX-GOSISDBHSA-N 455.563 0.836 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1cc(OC)ccc1OC 523258014 SQSUAIKNFOTAAZ-UHFFFAOYSA-N 480.546 0.967 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(OC)nc1 524275171 OTUJVMPXKIEOFR-UHFFFAOYSA-N 492.557 0.893 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1 608828400 SHICXDZWQGEOSJ-UHFFFAOYSA-N 460.515 0.788 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)s1 608828457 UZVKFJGXVAFDCR-UHFFFAOYSA-N 480.571 0.730 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 608912931 KYUKIOCVTYFFGA-UHFFFAOYSA-N 476.536 0.239 30 20 JCED CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C)c1=O 609421192 WURZZLCVLZHCRC-UHFFFAOYSA-N 466.563 0.707 30 20 JCED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 730891086 ITVQXFDBEXXQHN-UHFFFAOYSA-N 459.440 0.551 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 769666673 DAAUBFLCBZCSMC-UHFFFAOYSA-N 488.522 0.626 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(F)ccc3NS(C)(=O)=O)CC2)o1 915392792 PNJRUEADPFSLET-UHFFFAOYSA-N 465.463 0.871 30 20 JCED Cn1ncc2c(=O)n(CC(=O)[C@@H](C#N)C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cnc21 917011348 LCPSVKMLYDNDCW-MRXNPFEDSA-N 464.442 0.096 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Br)ccc2OC)c(=O)n1CCOC 917352435 SVOUAZBLHOQZIM-UHFFFAOYSA-N 452.330 0.576 30 20 JCED CN(C)S(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1298104843 XOMGRIGIOFTGKX-FQEVSTJZSA-N 477.570 0.785 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)[C@@H](C)C1 1301759829 QEBBWNUYYAMEHE-KRWDZBQOSA-N 467.530 0.645 30 20 JCED COC(=O)N1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1315113984 NBHAXZUVAGIIBK-HZPDHXFCSA-N 452.537 0.387 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CCN1S(C)(=O)=O 1316493408 QHEUEXRMOKZUAP-HNNXBMFYSA-N 466.589 0.722 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1ccc(CN2CCOCC2)cc1 1337146150 KXKZKFCYAXIOIK-UHFFFAOYSA-N 472.523 0.851 30 20 JCED CN(C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1552862234 NNZIHPMZWNIPNM-QGZVFWFLSA-N 453.613 0.939 30 20 JCED N#Cc1ccncc1N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1559873511 SQOGKLKQSADHNX-UHFFFAOYSA-N 454.556 0.608 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC1 1611771790 AQBVLHLLOCVTGZ-MRXNPFEDSA-N 450.565 0.559 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CCO1 1618691674 ZYPIMGCPOUQPEZ-GOSISDBHSA-N 453.503 0.017 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC(N)=O)C1 1705687841 KJHKLUKMARJVPX-ZIAGYGMSSA-N 491.412 0.611 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1729739788 SKXYIYRIWHFJRH-GOSISDBHSA-N 473.559 0.194 30 20 JCED CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)c1=O 1746360477 JNMBQSLHSYTZQA-GCJKJVERSA-N 489.602 0.971 30 20 JCED CC[C@H](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1763458586 WINOMZTYBNECJA-RNQOJCNYSA-N 495.650 0.849 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1766945148 JOVVICUOOMTKCC-UHFFFAOYSA-N 485.549 0.964 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1769366085 IJMLDTAOPCSLOM-QGZVFWFLSA-N 457.560 0.861 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1778788978 ODUVETSWDNQVGJ-UZLBHIALSA-N 495.330 0.829 30 20 JCED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)CC1 1778849817 ALNLERRMWQFAQG-PXDATVDWSA-N 479.585 0.809 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1779441426 YMPVLIKCHGPBLH-SZTYNRIPSA-N 468.514 0.466 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779949516 DMNNPOVWBCQYRY-XMMPIXPASA-N 495.561 0.521 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2 1780740965 DPFSPDBPCDAEIV-OPAMFIHVSA-N 462.503 0.584 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1781047340 IQPWLZYGLZAZIU-WLENULPWSA-N 481.594 0.625 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)C1 1781587292 INRTVYIYWSAXFQ-SFHVURJKSA-N 466.244 0.889 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782788567 ZMRXHMJHWTYYFO-OAQYLSRUSA-N 462.459 0.096 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CC(=O)NC2=O)C3)c1 1782971069 VMUBTOVSDVWZCZ-SWWFSWNPSA-N 467.526 0.993 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCO)C2 1783272386 VYLRMZHJMXZZSK-MCJPXMOYSA-N 481.590 0.979 30 20 JCED CN(C(=O)OC(C)(C)C)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n(C)n1 1783561730 HZQYOFHQUDBZRI-QFIPXVFZSA-N 475.502 0.323 30 20 JCED CC(C)C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)N1C(=O)c2ccccc2C1=O 1783566090 XYDKABSIXSUHHL-CLOONOSVSA-N 481.505 0.615 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1783862366 FQXXGKSQZUYZTH-UOMKDKRUSA-N 484.619 0.932 30 20 JCED C#CCCCC(=O)N1CC[C@]2(CN(C(=O)CCOCCOCCOCCOC)CCO2)C1 1783907149 YNILQOOQXXXTCN-HSZRJFAPSA-N 454.564 0.706 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1785575013 WXKOQFHEFCKALH-OYHNWAKOSA-N 475.502 0.248 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C[C@@H]21 1786857877 HUOJFHWFHJELOE-LNLFQRSKSA-N 468.558 0.841 30 20 JCED Cn1c(=O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)nc2ccccc21 1787974865 NIFJKGPEZUPRLH-ZWOKBUDYSA-N 480.569 0.809 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)C[C@@H]21 1791142896 VVQMXKDNYPERPD-IWFBPKFRSA-N 476.636 0.617 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21)c1ccc(O)cc1 1791332000 IHVONAHACHAMSM-PPSMKJHDSA-N 455.555 0.592 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21)C(C)(C)O 1792274451 QOFPZMLQBWOUNY-NBOOPKSLSA-N 452.552 0.934 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)OCc3ccccc3)C1)C2 1793347939 QKLUQIKOMYSIGV-MVWVFHAYSA-N 469.538 0.883 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc[n+]([O-])c1 1794248294 KBTONCSZYHAUDU-FCGDIQPGSA-N 460.531 0.993 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCNC3=O)cc1C#N 1794974704 ZOZVBXSVYXOYGV-OPMZPASUSA-N 492.536 0.802 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795411440 QHDXDIMOFCCXSU-OPVJXMOQSA-N 494.589 0.828 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3ncccn3n2)N(C(=O)OC(C)(C)C)C1 1796959171 WWPCZUKYBLLMKM-MHORFTMASA-N 497.556 0.893 30 20 JCED Cc1nc2ncccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1797006060 YGCHCIQKDOYKOT-ONHWRRACSA-N 456.503 0.770 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)c2C1 1797321002 YLBXTPBVFSOYOZ-CCWDJLKJSA-N 458.519 0.751 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1797808780 QETCQXCSCPVNEK-GYNIAHOFSA-N 489.529 0.111 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 1799842287 MNYHYDXNDBXDKB-PFIYSYJPSA-N 488.497 0.674 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800298111 VRCFLZKSFRPEBY-UUUMLOPGSA-N 480.565 0.924 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800525441 JBPXTXLXMQJENG-OGJJZOIMSA-N 464.563 0.572 30 20 JCED CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800774936 SHQZKENEMHCNOY-VQQMMKBISA-N 471.510 0.759 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1802036943 LMHLBMDTCFLYFQ-JSJNYSNDSA-N 452.515 0.943 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1802483717 RZTFCDFKHGELGE-JTTZZOPQSA-N 452.471 0.461 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1)c1n[nH]c2c1CS(=O)(=O)C2 1807737668 LRWQQDYVNTXILO-HRAATJIYSA-N 453.524 0.966 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809964316 XJJHLMZPWAYLDR-HUHXJTTESA-N 471.518 0.791 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810355562 CJKGDLDWCZBOKU-UPGWYZPTSA-N 460.535 0.209 30 20 JCED Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2c2cccnc2)c(=O)nc1O 1811542661 IMYYFRRJSNMICG-FXAWDEMLSA-N 461.482 0.872 30 20 JCED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1)C(F)(F)F 1812678481 VJNXQZHVPWTJBG-SWLSCSKDSA-N 462.392 0.646 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185820 UYSJBAOOMFDXBJ-GLPQSPQZSA-N 487.607 0.806 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)C#CC(=O)O)[nH]n3)ccc21 1818647758 CQSUGIQZZPXETL-OAHLLOKOSA-N 450.455 0.994 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@H]2NC(=O)NC2=O)CC3)c(C#N)c1 1822805929 XSJNALQEOOYLGG-CZUORRHYSA-N 482.522 0.776 30 20 JCED Cc1noc(N)c1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828981405 DMJQXIRIEOISJT-DEOSSOPVSA-N 495.492 0.719 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cn[nH]c3)C2)C1 1829332215 DOBFLTHKLYZFBC-HSZRJFAPSA-N 465.466 0.563 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)[C@@H]1SC(=N)NC1=O 1829631867 MHZXYHCKAIXQBD-YFBXQHAESA-N 499.593 0.750 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1829773745 SOJVSFWBGFEWGH-KOIKXXGWSA-N 453.536 0.090 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5ncnn5c4)C3)C2)cc1 1829903074 FSKYOCQGYSTSPE-DEOSSOPVSA-N 460.494 0.914 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1830469894 JUNHKZFBIXEXAV-UGKGYDQZSA-N 480.970 0.725 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1830470327 SNRKDPKETNMDEE-HXUWFJFHSA-N 487.862 0.826 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1830882833 YABQCGDNEWNHSJ-CKJXQJPGSA-N 473.592 0.397 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1831397467 RQURQZZSWZODLI-GGUMNFRJSA-N 475.517 0.439 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 1831401557 CIYFHPQWNQVCSL-ZHRRBRCNSA-N 463.462 0.771 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1831419524 NGZNUSZUQIZPSH-IEGUWTFLSA-N 485.578 0.310 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCN3C)CCO2)C1 1832068691 HFLHDIZKJUSGBE-YDIMBITNSA-N 478.590 0.454 30 20 JCED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1832293998 SSNYOYHUXHPVAI-HSZRJFAPSA-N 468.514 0.373 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(-c4ccccn4)nc3)CCO2)C1 1833289352 QJNZSTUYPNDZIU-UUOWRZLLSA-N 465.510 0.647 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1833478391 VINPEDXDWBCJLP-IERDGZPVSA-N 467.563 0.644 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833597166 VJDLIFZARLLIHF-FQEVSTJZSA-N 450.517 0.105 30 20 JCED Cn1ncc(Br)c1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835264345 JKSFJYKRYVBHCR-UHFFFAOYSA-N 466.336 0.456 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835345894 IQVWJWKTKLTHQK-ZHRRBRCNSA-N 466.535 0.022 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835518510 LXURUTGBMSMKGO-UJUVCNOISA-N 497.618 0.539 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1835675167 WAWRLSSZALQOPU-HSZRJFAPSA-N 454.531 0.915 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1835677182 LILXDCWRQCIHCU-NRFANRHFSA-N 460.560 0.748 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1835845016 ZRIWHKTWTHXXMC-JHXRPTDYSA-N 461.563 0.421 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835923850 IFMWLJMPGCIHAM-QFIPXVFZSA-N 458.519 0.480 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836131943 GOVREMCGABMMKH-HTAPYJJXSA-N 478.550 0.204 30 20 JCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)N1CCN(C)CC1 1836373724 DEUCDJFVMQEHBS-QFIPXVFZSA-N 487.689 0.893 30 20 JCED CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4Cl)C3)C2)CC1 1836674996 ZOXVBRFYRXBRON-HSZRJFAPSA-N 475.977 0.529 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837318043 JGUUYRSQUORZFC-FZKQIMNGSA-N 452.426 0.121 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSCc3[nH]cnc3C)CCO2)C1 1837328220 QKBGXIHRVDQOMS-UTKZUKDTSA-N 452.577 0.999 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1837443504 CQVLLNUHEBOTEZ-UJBXUPAJSA-N 481.557 0.809 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837480509 RTNKVVASRIKDJJ-JTSKRJEESA-N 459.551 0.015 30 20 JCED CN(C)c1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)o1 1837524755 MDPGMFIXXYFOHV-RXQHMNIESA-N 465.507 0.340 30 20 JCED N[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1cccnc1 1837562349 JXPZAJJQXJJQJR-UBNNLIKPSA-N 455.515 0.640 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1)c1ccccc1 1837614114 KYNTXLCHECPNFA-PPJWLVRDSA-N 485.581 0.791 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)CN(CCO)CCO)CC3)CC2)c1 1838689887 AZGLLIRUMZVEHG-UHFFFAOYSA-N 472.586 0.766 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838791530 DCGGOCNEKVIXOG-WZONZLPQSA-N 453.499 0.376 30 20 JCED CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)C1 1839066820 VHHRPLBGDNVQCP-YNMHEXEPSA-N 452.552 0.314 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c(C#N)c1 1839131157 PJXFKCJOXKSPTH-MHECFPHRSA-N 470.526 0.092 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1839175474 MCWDDMZHZNCXJP-DEOSSOPVSA-N 489.525 0.838 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839573655 TUIGJDZJGNFMMU-MHECFPHRSA-N 457.527 0.824 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045104 RAFFLKDJZWJSPG-QZTZHPFYSA-N 493.557 0.614 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045105 RAFFLKDJZWJSPG-RHGYRFJNSA-N 493.557 0.614 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CCO2 1840111759 IYFJEWKHBLUPJF-KOSHJBKYSA-N 495.573 0.703 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840820198 DHYWYBVBUXIDLK-XMQQHFNTSA-N 456.499 0.433 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)C(C)C)C2)C1 1840907482 WVVUHOXOWRUPGH-IUKKYPGJSA-N 467.563 0.376 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1840907598 YYLBAWAEZVMIEA-AOMKIAJQSA-N 461.519 0.396 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1840908139 BJRJAPGVRFTYQX-FDDCHVKYSA-N 463.531 0.339 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C#N 1847347332 ZFCHPOBJLFKXPE-PMPSAXMXSA-N 463.583 0.895 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1 10792196 OMROZQXHWCGPDC-UHFFFAOYSA-N 453.498 0.594 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 521764303 DPKHPTVYINGGRR-UHFFFAOYSA-N 482.587 0.471 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 522538122 WKBBVMOHZJVQQS-CQSZACIVSA-N 480.521 0.791 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCc2ccccn2)c1=O 523180646 APPZFOMAZKFTDJ-UHFFFAOYSA-N 476.558 0.918 30 20 JCED Cc1nnc2ccc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cn12 726813989 FOHQPFFCKHCXNS-UHFFFAOYSA-N 468.495 0.599 30 20 JCED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCS(=O)(=O)N1CCOCC1 748046155 HIXYLTVTBRGWKP-UHFFFAOYSA-N 476.349 0.876 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc4cccnc34)c(=O)n2CCOC)CC1 818225782 VXFKEIPBTIRGJE-UHFFFAOYSA-N 477.590 0.772 30 20 JCED NC(=O)c1cc2c(nc1O)CCC[C@H]2NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 825359933 PVKLXNPOJGAVGC-OAHLLOKOSA-N 457.512 0.899 30 20 JCED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2O)CC1 831243934 QZZFNEMQGOLXDQ-HNNXBMFYSA-N 472.523 0.711 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(CC(=O)NCC)CC1 918087972 UXIRARJWQSVPBK-GOSISDBHSA-N 463.604 0.954 30 20 JCED Cn1ncc2c(N3CCN(C(=O)COC(=O)CS(=O)(=O)Cc4ccc(C#N)cc4)CC3)ncnc21 919315096 BQLSIRLXURUBMJ-UHFFFAOYSA-N 497.537 0.042 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919644409 BKNGMQZVUASJDX-TZMCWYRMSA-N 465.484 0.567 30 20 JCED CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1287096171 OXMZCVVEPJQCKE-UHFFFAOYSA-N 467.574 0.959 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1359084812 SOPQVBHGSQIASM-GFCCVEGCSA-N 450.359 0.745 30 20 JCED N#Cc1ccc(Br)c(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 1642102371 NXCZGIPELOLMKY-MRXNPFEDSA-N 455.378 0.742 30 20 JCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1661036366 MBBMUUFJHFSUAY-ZDUSSCGKSA-N 458.591 0.724 30 20 JCED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCOC1 1728797203 ZMIIVFSWWCCTDS-AYOQOUSVSA-N 456.544 0.654 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1729544830 XKSPGNAGQKUKGB-QGZVFWFLSA-N 466.589 0.769 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1768526587 WMPHTLCEUBSZQF-UHFFFAOYSA-N 466.589 0.722 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138963 LQPODMUEACGLKA-RPEOIWTPSA-N 454.487 0.137 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(OC)cc1C#N)C2 1779204233 VTGJLNNIGZJXLS-ZFJSRUIDSA-N 488.541 0.688 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1779439911 CSSDVJSRADLNBF-ISCKSEBJSA-N 456.499 0.528 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1780335325 QVGKWHKQJFLWGB-YIGJPRQDSA-N 487.557 0.948 30 20 JCED Cn1ncnc1C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781168185 WYWJBKASBLUTIQ-HSZRJFAPSA-N 487.561 0.799 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2ccncc2=O)CCO3)c(C#N)c1 1781176369 JIWSVGKBFUEQQZ-QHCPKHFHSA-N 451.483 0.196 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1781251788 ISRRWYKEUSAFRF-GSHUGGBRSA-N 452.552 0.810 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1)[C@@H]1SC(=N)NC1=O 1781963017 AUADLTRKIFADSB-SAZGQGMLSA-N 459.503 0.943 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1782256264 QDEDAHKLLQGYBR-PIYXRGFCSA-N 493.601 0.911 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1783448214 HVVTWGDTMFTXBI-LIQBOINOSA-N 488.585 0.932 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1785595874 AIOGGMLFNLFEGR-AIYSXCBHSA-N 489.577 0.619 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 1788659058 SXPOLHVJPLTMHE-DPRAIYEESA-N 461.519 0.788 30 20 JCED COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788659799 SKRUVUAGUXPDAP-ANLIMLDFSA-N 463.535 0.652 30 20 JCED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21)c1ccccc1 1788708868 ZQCYDCJITWEQQM-PPGORRQASA-N 454.571 0.756 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1793204617 UKDXVSDTKJAODG-YMBXHIRXSA-N 453.539 0.663 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1793353388 CQHREJWAPPMBKB-DAUOMPHXSA-N 481.590 0.785 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccc2sccc2c1=O 1794042416 YOBPPZCMEWNVAF-CWPLJXCYSA-N 471.583 0.934 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(C(F)(F)F)cn2n1 1795970642 IPNJTYVRJPTPAR-CULMDFNYSA-N 451.361 0.039 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1797704502 PVFRNVCHFZJSSG-APAFKAMOSA-N 481.590 0.785 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2)N1CCN(C)CC1 1799181849 UOWXVIPKMBLZFK-YPIYEQTHSA-N 458.990 0.917 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1799320980 XHHXXZHGEDYAFO-PKRADWSKSA-N 478.590 0.962 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)NC(=O)CS2 1800037754 QIMWYHVBWICSDN-CCWDJLKJSA-N 474.539 0.838 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(I)c(OC)c1)C2 1800451107 NRAGQTSUFWZPEQ-JJLQDPRZSA-N 455.252 0.531 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2)NC(=O)OC(C)(C)C 1801931671 WXIRWIRQARACKX-AXVVYFOYSA-N 455.552 0.444 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1802138628 NNULSJBCFCNHJC-ADPPENSOSA-N 499.630 0.726 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)nc3cccnn23)[C@@H]1c1cccnc1 1802487314 HEWMNAJSZPYQHT-KCLVWISNSA-N 487.520 0.663 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)ccc1F 1807048104 PGJOZGGXUHZZGY-MONBJTKQSA-N 466.517 0.934 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1810279114 PAAUFVXKBGTTCJ-AZDINULQSA-N 490.630 0.290 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)[C@@H](O)N1CCOCC1 1810353011 CWFUUCJCPJIWOB-KTSCYQFRSA-N 455.515 0.450 30 20 JCED N#Cc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](O)N4CCOCC4)sc3C2)cc1 1819877017 NLHWMQHRXAGYSX-HRAATJIYSA-N 455.540 0.820 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC3CC3)[nH]n2)N1 1821781163 ZOLBTTKDTATEQZ-CGTJXYLNSA-N 484.582 0.995 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN)CC2 1826008006 NJZZFSURVZHNKE-JSGCOSHPSA-N 496.590 0.819 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1828583706 RCKSCDUBTSZEGC-BNIKKZEQSA-N 496.564 0.613 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCN2C(=O)OCc1ccccc1 1828643589 IKWIFSBKPOZYIZ-VWLOTQADSA-N 492.488 0.474 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)n3cncn3)C2)C1 1829266769 DMPPCLYFJWQQEI-MBSDFSHPSA-N 450.499 0.924 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cnco3)C2)C1 1829330722 PGFXTNLVXGGUAF-QHCPKHFHSA-N 466.450 0.828 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1829769990 ASFRIVMNYZFTGH-VKUXZERMSA-N 459.528 0.553 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1829771492 RXVJHBRNBLXDNG-YINDRKJMSA-N 486.525 0.071 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064898 YJDAWLIYIASXJQ-MWTRTKDXSA-N 496.561 0.449 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnn4)C3)C2)c1 1830464555 KPXALSKGJMMFFX-XMMPIXPASA-N 465.510 0.816 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1830881122 BAESQVGFBJKECQ-HTAPYJJXSA-N 453.536 0.655 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831189125 VIHABYMYIJCKIN-WAIKUNEKSA-N 460.506 0.611 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1831406743 BXPZZKFYIOFFNQ-QFIPXVFZSA-N 459.503 0.488 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1832000371 NFNQBEYHQRHCTH-BSRJHKFKSA-N 464.563 0.440 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1833028487 QGHWSAOHZBKTQE-FDDCHVKYSA-N 488.545 0.545 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnn4c3CCC4)CC2)CC1 1833077368 VGLFTJMHRKSECG-WAYWQWQTSA-N 454.575 0.873 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)C[C@H]3COc4ccccc4O3)CC2)CC1 1833433292 SELVGDIODQSUCH-IBGZPJMESA-N 455.511 0.876 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)NC(=O)CC)C3)C2)c(O)n1 1833695907 JGYORKPVEWJKIG-XDHUDOTRSA-N 474.558 0.891 30 20 JCED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834972101 QINWVHSGOFHFSH-UHFFFAOYSA-N 470.578 0.990 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338519 JUQRIZGVAPLLQA-HOOSLVGPSA-N 492.573 0.771 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CN)CCO2)C1 1835533947 VOHYMJJGXPVECE-DRSNIGMVSA-N 454.568 0.507 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(=O)n5[nH]cnc5n4)CCO3)C2)c(Cl)c1 1835925274 ANGFSGQBQQGLQJ-JOCHJYFZSA-N 497.899 0.326 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cccc1C=O)CCO2 1835952511 SZPZZVYGWWVFJI-NBBDWSPISA-N 458.515 0.176 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3CN1)CCO2 1836485383 VSDNVMHKXFYQCO-SQJMNOBHSA-N 471.554 0.667 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837019529 XNWZHMVGGCRLFD-JOCHJYFZSA-N 457.487 0.309 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1837393157 LXJPAZDEXRYZHM-AOMKIAJQSA-N 450.536 0.765 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1837396273 FERTYTBVNFHISA-QRWLVFNGSA-N 485.379 0.826 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1837397579 QPFCTTFIKMBPGR-ZHRRBRCNSA-N 459.503 0.078 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837441730 BKWFZNDPQPBLTI-BLXMRYOQSA-N 452.943 0.465 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837445138 FUCIJZFMSSZPLP-YQNSVDCASA-N 455.519 0.271 30 20 JCED Cn1cc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837527899 ZUHNCCRVSIIEPY-DNSLKSLXSA-N 463.535 0.338 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837528639 LVQJJQBQIYIYIR-SOWNJDLTSA-N 495.602 0.937 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1cc(C)on1)CCO2 1837544425 AWOHPOYTRWBZFX-JOCHJYFZSA-N 464.519 0.152 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)Cc1ccccc1NC3=O)CCO2 1838442493 GWTQKVFJSQQGMP-HSZRJFAPSA-N 464.482 0.481 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C3)C2)c1 1838579141 CWAZAALXTIRSNT-AOMKIAJQSA-N 479.555 0.318 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1838584850 JZTDGULGJHHZJY-HSZRJFAPSA-N 483.481 0.211 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)c5ccccc5C4=O)C3)C2)c1 1838732650 XYSDZUMZQUVROH-RUZDIDTESA-N 491.504 0.643 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nc(CO)[nH]c5c4)C3)C2)c1 1838737573 ZQZKHWZSRJSXTR-QHCPKHFHSA-N 464.482 0.639 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1 1839130745 QUEHCRJZCOTQHF-NTKDMRAZSA-N 480.606 0.701 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c(C#N)c1 1839133474 RLEOGVSMRBLURN-QHCPKHFHSA-N 468.514 0.248 30 20 JCED C[C@@H](Cc1ccncc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839657719 HBFLSLRGEABWAW-CYFREDJKSA-N 457.575 0.998 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840037799 RPRLZZMGEMCNSC-WEAPZMLVSA-N 495.580 0.825 30 20 JCED CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045261 ZUUCGEZMVVADFN-QFIPXVFZSA-N 467.519 0.082 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CCO2 1840111901 PFGFUMHOIRFNFI-ZHRRBRCNSA-N 469.535 0.475 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC(C)=O)CCO2 1840134333 VJQQQDWVXWKVNL-VUMVONDWSA-N 479.574 0.975 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1)c1ccc(O)cc1 1840221821 MENQWWTZSNZSLJ-FZOAFFARSA-N 487.553 0.408 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)CCO2 1840345041 XLMBTOPFLCHHTE-MBSDFSHPSA-N 477.562 0.878 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O)NC(=O)OC(C)(C)C 1848033760 QZHKYEOTAGGZBT-JYJNAYRXSA-N 463.535 0.600 30 20 JCED Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(=O)c(C#N)c1C 505815970 RUWWTNYQEVJLPS-UHFFFAOYSA-N 455.540 0.754 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(F)cc3F)c2=O)cn1 523862371 WDGUTPMLPNZUND-UHFFFAOYSA-N 459.478 0.659 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1-c1ccc(OC)nc1 524235174 PPCDRJWULYGUOZ-UHFFFAOYSA-N 484.921 0.976 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592993251 ZCTYCRXIBLZOHE-UHFFFAOYSA-N 482.541 0.647 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 602253031 MPUANVIUBQFDKR-UHFFFAOYSA-N 480.449 0.318 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(C(N)=O)cc1 608828566 BUMYESDDUCUROM-UHFFFAOYSA-N 474.498 0.532 30 20 JCED Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 608868408 QXNZWGCZRGIGRZ-UHFFFAOYSA-N 450.542 0.814 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(C(N)=O)cc1 726575328 IMTMNYJKXMEAJT-UHFFFAOYSA-N 478.578 0.768 30 20 JCED Cn1nc(Br)c2c(=O)n(CC(=O)OCC(=O)NC3(C#N)CCCCC3)cnc21 727221733 YOYXAKBUTKASRJ-UHFFFAOYSA-N 451.281 0.778 30 20 JCED C[C@@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(N)=O)CC1 853708255 KEIXNBMUJILHTE-CYBMUJFWSA-N 450.517 0.161 30 20 JCED CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1293638434 KPHQTXOAIJDEON-LAUBAEHRSA-N 461.544 0.894 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1303405385 RUMRBNFXWNRVIN-IBGZPJMESA-N 458.611 0.828 30 20 JCED COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1=O 1316123744 STVMHAHJTPRGRZ-OALUTQOASA-N 481.557 0.925 30 20 JCED CS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1316364419 YZLIAOYKMRLEHB-QGZVFWFLSA-N 478.600 0.770 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1555194467 OMGLYFWVWXDOHO-BMQTXXJKSA-N 482.607 0.793 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)C1 1555814537 ZFJDWEYMBGZTEO-IAGOWNOFSA-N 486.620 0.176 30 20 JCED COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1635092389 QPKGUVWGFPPIES-UHFFFAOYSA-N 453.912 0.528 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1690219835 MCWHZAHNLUJKTG-OLZOCXBDSA-N 461.386 0.998 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1710348298 XNSKXEULDKGDFO-GHTZIAJQSA-N 459.576 0.401 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1722485217 MPTKLVRRJGGXIA-CQSZACIVSA-N 464.386 0.728 30 20 JCED CC[S@@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1729249164 YANQWVZGSRPRBP-GUNSETOZSA-N 458.610 0.510 30 20 JCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1731191116 ZACSMHXGDAOBRT-OCCSQVGLSA-N 475.497 0.035 30 20 JCED N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)NCC(F)(F)F)CC2)c1 1770740713 MLNIHLQBOCCMHA-CQSZACIVSA-N 477.451 0.501 30 20 JCED Cn1c(=O)c(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nc2ccccc21 1777887615 FKRPPYBDZOFFEM-IUALRXLNSA-N 483.525 0.906 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ncn4c3CCN(C(=O)OC(C)(C)C)CC4)C2)C1 1778069345 MJLBSBMDBQZGMJ-QHCPKHFHSA-N 457.531 0.753 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779140187 UUNMWBVAZYTQGA-SBRVNECPSA-N 478.546 0.804 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)CCO3)C2)c1 1780332378 VAHFZGDXVNKCPW-DEOSSOPVSA-N 477.525 0.365 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1780932161 BZLCLSAOZOAAST-VGSWGCGISA-N 481.427 0.069 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1781166987 YDPRIMNYAQJLDD-GAJHUEQPSA-N 480.562 0.869 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3CNC(=O)C3)C2)c(C#N)c1 1781779393 KOLRDRAMWALLFA-MFSJNOQSSA-N 454.527 0.759 30 20 JCED CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781786260 VJWQZRFOLQSDIB-IBGZPJMESA-N 488.440 0.640 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1783644011 BZRSWEOVPQRHTI-PBFVBANWSA-N 457.593 0.895 30 20 JCED COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1783667453 YBTPKLYMEFHLNN-GQBVICOWSA-N 451.520 0.598 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2)c1ccc(O)cc1 1784022635 RSNXOLJFNVRGJQ-JHMXWDHMSA-N 471.554 0.370 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(c4cc(OC)ncn4)CC3)C[C@@H]21 1784477448 BJGFPKOBISVRLS-HZEGPAAWSA-N 485.585 0.720 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1 1787393240 DMTNSOWBVOCCCB-ATIWLJMLSA-N 469.579 0.425 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1787512404 JCCVYGOMIKYUPB-SWSUPBTISA-N 482.522 0.512 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4c3CCN(C(=O)OC(C)(C)C)CC4)[C@H]2C1 1788088080 NQYORDCXAUGXFX-LNLFQRSKSA-N 471.558 0.903 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788660746 JYTZEQGXUZJWCA-AQSRVODESA-N 487.557 0.709 30 20 JCED COC(=O)[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21)NC(=O)OC(C)(C)C 1791194706 BOUDWLVQHDLFPR-NXOAAHMSSA-N 466.535 0.726 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C[C@@H]21 1791279660 XACCWDPMRRRTBI-OVWQWFNUSA-N 453.536 0.999 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(C)(=O)=O)c1 1792696600 RFEFWTPJBFVSLV-IZZQQSIFSA-N 462.572 0.575 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 1793629135 PEWOXHSPNAOHKM-QSKWJVMOSA-N 462.547 0.444 30 20 JCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)C2 1795086020 PARUZFHWLRIONP-UPHUGPLXSA-N 478.546 0.730 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)c1ccccn1 1795620060 CDRIPUJFDWGHPF-LWASTNQWSA-N 471.558 0.588 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]n1 1796495251 KDXABWJBLLUFTR-FZKCQIBNSA-N 491.549 0.862 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ncccn12 1797031033 OLRYBXYPNBWUBZ-SFNKJDCFSA-N 482.541 0.849 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)C1 1797809711 AYMMGBCEGARTSO-ZAAQXFHHSA-N 451.520 0.694 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797889672 QHMKJKDHIFADMR-NBMJBFSESA-N 485.541 0.526 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 1798582117 WWZZDWLAXWTUQC-XPNJMWEZSA-N 468.510 0.468 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)ccc1F 1799323114 SSEGVOOTVXYPQS-VPTLXERWSA-N 456.434 0.634 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(n2ccnc2)CCN(C(=O)OC(C)(C)C)CC1 1800270817 FVJLPGZILYEUMN-OPVJXMOQSA-N 471.558 0.832 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NCc1ccc(OC)cc1 1800278415 LOIJIRXNTPPUDC-PSSPILJCSA-N 498.580 0.540 30 20 JCED C[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CCN(C(=O)OCc2ccccc2)C1 1800841009 CLFMPZXNTAUDQM-AJDBGRLRSA-N 483.521 0.713 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)N(C)C)C3)N(C(=O)OC(C)(C)C)C1 1801101883 IJCMYORUZJPZEA-ZMMAXQRCSA-N 479.578 0.413 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1802016612 QTUSXMCLKDQBAP-XNFGBDPYSA-N 463.575 0.997 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCC3)C2 1802125732 QBKOCFJVMDVZQA-YNVMFWSZSA-N 471.558 0.949 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1802152085 NERIRGINPFGLDL-FLXSYLCISA-N 483.606 0.813 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1803507302 SOZYHODAJXNLAV-LSBZLQRGSA-N 458.544 0.929 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)CN(CCO)CCO)[C@@H]3c3cccnc3)c2c1 1812071128 FHMROCOUBANHIG-NTKDMRAZSA-N 491.552 0.436 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1812873200 KVNFYEYUPGFECT-LTMIRXACSA-N 498.561 0.851 30 20 JCED COC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829383705 QJBDJVUEBCVJRC-JOCHJYFZSA-N 457.487 0.708 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1829691860 OJPHAJKHOBHJIS-DFIYOIEZSA-N 493.601 0.864 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1831392426 DMNSCEISKNDQTO-WZONZLPQSA-N 453.499 0.376 30 20 JCED Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1833039887 YWVANYYNEQPPEW-XMMPIXPASA-N 458.559 0.655 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1833334726 KKAIPGOUNANDTI-RUZDIDTESA-N 484.553 0.809 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCO3)c1 1833389994 GYXNVPZYAHPCMF-DEOSSOPVSA-N 465.510 0.951 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cnn1C 1834430435 VMFNBWYCJINSBK-HSZRJFAPSA-N 453.499 0.749 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)ccc1F 1835652638 PLHMDXAQJNEBER-OAQYLSRUSA-N 463.535 0.713 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1835716164 ZXOPOKWFFFLJBE-JCGIZDLHSA-N 479.647 0.934 30 20 JCED Nc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)s1 1835843194 KYFSUXFIAWHHRP-IUUPFMKJSA-N 453.521 0.324 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837208886 IBONRXGADOWQIB-UTKZUKDTSA-N 480.905 0.346 30 20 JCED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c(C(F)(F)F)n1 1837443496 CMUKMOVJDJRJEY-XPVFAOKESA-N 486.495 0.981 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1837524278 DTFBLXQDZKBCMW-BSEHWYNJSA-N 498.540 0.866 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n[nH]1 1837592337 OVVCJKQFCUQMSK-HSZRJFAPSA-N 453.499 0.668 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)cc1 1838503493 XJEVTVPJOCTNOW-VWLOTQADSA-N 488.504 0.539 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C3)C2)c1 1838579370 JXNZZZCIZPKRJA-WOJBJXKFSA-N 471.432 0.950 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5c(c4)NC(=O)CS5)C3)C2)c1 1838740460 MHEKKAXEGKPZQN-JOCHJYFZSA-N 482.522 0.709 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1839173410 OAJLFFZSZDJTNB-MHECFPHRSA-N 495.573 0.962 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)c(C)c3)C2)C1 1839174403 ZOYPTUYIJBUVKD-QHCPKHFHSA-N 461.515 0.978 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839237498 MPKUDVJOIVLMDJ-JPYJTQIMSA-N 492.577 0.594 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)c1 1839422061 AHYUMFOTURBBCX-FQEVSTJZSA-N 460.491 0.678 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1839651254 UHGBMVVKIGDSBV-DEOSSOPVSA-N 472.542 0.270 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(c4ccc(F)cn4)CC3)CCO2)C1 1839723894 WYXKWYMGOKPWAH-CLOONOSVSA-N 488.560 0.932 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)C2)C1 1839806276 IBGHPVIUSVTARY-DRSNIGMVSA-N 453.511 0.671 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCCCNC(C)=O)NC(=O)OC(C)(C)C)C2)C1 1839810685 MARNYUROOXGCRC-YADARESESA-N 494.589 0.276 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN(Cc4ccccc4)C3)C2)C1 1840040949 HIXWKHLYHXPWSA-PXDATVDWSA-N 469.538 0.443 30 20 JCED C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840424345 JCEOKKPYXWEGJI-WZONZLPQSA-N 459.547 0.587 30 20 JCED C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840426096 MTRCBOQOVIHRKV-KQLUBGJGSA-N 459.547 0.777 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c1 1840714215 WUTQBIJQLPJLCP-YADARESESA-N 456.543 0.716 30 20 JCED CC(C)(C)OC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1840957835 XMEQXVQPXPFVHK-HSZRJFAPSA-N 479.530 0.178 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842809874 GOEZQGXUOBPOMC-FYSMJZIKSA-N 471.558 0.867 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845888189 TVGBORDWYYJGGB-OAHLLOKOSA-N 464.519 0.040 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)N(C(=O)OC(C)(C)C)C1 1846448913 RYOICCMZIHQTFK-HNNXBMFYSA-N 461.519 0.307 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 109630590 PCKBVJXOVUAPRW-UHFFFAOYSA-N 463.516 0.801 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC(F)F)cc2)c1=O 514645023 IENPQNFAWNDSDF-UHFFFAOYSA-N 492.548 0.873 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 522283429 IELMBRYXZLUHOR-UHFFFAOYSA-N 485.566 0.522 30 20 JCED CN(CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C)c1=O)c1ccccc1 522535135 RLAUSKSHAJHYFX-UHFFFAOYSA-N 492.605 0.532 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C 590982291 FNFPNTCHHGSRER-UHFFFAOYSA-N 452.330 0.953 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)c(OC)c1 603795851 LNCJROHLQUUFMY-UHFFFAOYSA-N 457.552 0.945 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828885 PYUKNAIGGHMFTR-UHFFFAOYSA-N 468.560 0.163 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 642899314 PGBSRFKTIWAHCH-AWEZNQCLSA-N 480.568 0.956 30 20 JCED C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 727013728 YVCVWNVKTFLBAC-CQSZACIVSA-N 458.496 0.226 30 20 JCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C3\CCCN3C)cc1)CC2 727232027 VKZUYZFJMPVGHO-OCDBCJEZSA-N 459.532 0.469 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)c1ccc(OC(F)F)cc1 821710010 AQEGHERBNMBBRX-UHFFFAOYSA-N 467.406 0.826 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 893394384 AWLWAPNENYWKDW-CYBMUJFWSA-N 455.489 0.460 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914652861 NDKGSMBGUUUMGY-ULQDDVLXSA-N 477.539 0.909 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286629122 KHXFHUOEZXEFHG-QZTJIDSGSA-N 488.058 0.580 30 20 JCED CN(C)C(=O)COc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1314646750 ZJSFPWMTXWBKQY-IBGZPJMESA-N 467.530 0.758 30 20 JCED Cc1nsc(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)CC2)c1C#N 1475350641 REHURXKVDNKMMA-UHFFFAOYSA-N 455.587 0.754 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CCO1 1508387285 YIGLRVMAYNQZFW-HSZRJFAPSA-N 497.600 0.917 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1615974029 YKDFUZOXAXAYOW-IBGZPJMESA-N 487.586 0.584 30 20 JCED CC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1693906459 GXRGIXPHWRKJAU-JOCHJYFZSA-N 455.567 0.915 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCS(C)(=O)=O 1723926543 QIKREXUCMZLJDY-AWEZNQCLSA-N 466.589 0.974 30 20 JCED Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1C 1724439447 YMXJSMCCCFEGGM-WIYYLYMNSA-N 461.544 0.752 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1727654588 SCOYQMCLQACUQA-FQEVSTJZSA-N 450.547 0.696 30 20 JCED CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1728511289 BNQYAQFLYDLNTL-UXHICEINSA-N 494.666 0.518 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1728664632 JKJYAKFHWAAHJC-HXUWFJFHSA-N 494.600 0.570 30 20 JCED CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1746325224 KSACJHUKSRNKPJ-SJORKVTESA-N 455.585 0.070 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1=O 1771150673 ZCIUAQGIKCMCRA-LJQANCHMSA-N 483.573 0.744 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1779021196 CKXGWMOEQNCXCA-DKLCPLSMSA-N 453.590 0.148 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cn3c(nc2=O)SCC3)C1 1780543166 WLSCWVQVNBXXNU-JTUHZDRVSA-N 476.599 0.997 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1781165843 ZXFMAPWEMVDPCO-SBUREZEXSA-N 464.563 0.601 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3c(c2)NC(=O)CS3)C1 1781362914 QZLNQSFHHHKTOV-QVKFZJNVSA-N 458.496 0.341 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1781401251 XBSMVNXIANSIOR-DWKCODDLSA-N 482.578 0.988 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963589 JUVREQRVOXSZFX-UGKGYDQZSA-N 461.446 0.636 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(I)c(OC)c1)CCO2 1783047882 LOEOLHQWINXBNN-KRWDZBQOSA-N 455.252 0.772 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)CC1 1783165699 TVBUZLWAGBLIEI-BXKMTCNYSA-N 489.573 0.493 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(OC)cc3)C[C@@H]21 1783528399 UELCTVDDZVCVQX-DBMCMQSHSA-N 457.527 0.912 30 20 JCED CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCOC1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561947 RBBQJISGMQTBMC-YGKZAACZSA-N 479.530 0.224 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)C(=O)C1 1784388733 ALYLNIWAIJIHNC-UFYCRDLUSA-N 488.585 0.459 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1785577507 XURKPICHJAUMGT-HOYKHHGWSA-N 487.557 0.861 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C1)C2 1786706131 OGPUHLNFBAKDDY-DWRORGKVSA-N 457.531 0.906 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1)C(F)(F)F 1787505831 PDNKOFRAIHEQOW-KKUMJFAQSA-N 453.483 0.510 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCNC(=S)NC)[C@H]3C2)c(O)n1 1788613682 UTOMVYDNUFUBCY-SNRMKQJTSA-N 475.615 0.983 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4cn5c(nc4=O)SCC5)[C@H]3C2)cc1 1789709156 PCHBCCKEKODYDP-JBACZVJFSA-N 493.589 0.986 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)[C@@H](C)S)C[C@@H]31)C2 1790689126 YQUNRSPGQILIPL-LFRCEIEQSA-N 464.588 0.920 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)[C@H]2C1 1790869435 OBFXDEWBKQORGL-WRNCNIFXSA-N 464.563 0.407 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791772017 JLLIYVFNKLODKS-FJIDUMEYSA-N 485.603 0.317 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1)NC(=O)OC(C)(C)C 1792586073 NVIKGHHRJQLNFW-KAUDDPROSA-N 478.590 0.962 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)c(CC)nn1C)C2 1793342577 LLEFEWUCJKPPQH-ZJOBFFGXSA-N 467.364 0.987 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(S(C)(=O)=O)ccc1F)C2 1793346561 UKMRIQBVADGMNO-ZTENYAIWSA-N 452.504 0.471 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C 1793387879 SSWFYTBRZOHPTP-CRCOGDFISA-N 487.619 0.987 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795388124 LKEHRCQQXDTKEJ-RIUYPTKQSA-N 450.536 0.324 30 20 JCED CCc1c(I)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)nn1C 1795907110 UEEQNHGGGVWPOE-QHBPRCKVSA-N 471.299 0.704 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)c(C(F)(F)F)n1 1795993932 DHTVGEIOQQOAJT-DRXBFXEBSA-N 467.404 0.627 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1797780737 JMZHCIJPECKYAD-HATOLVCRSA-N 454.527 0.100 30 20 JCED CC(=O)Nc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)ccn1 1797812634 XUZLTZHPFUQHJP-MSHIPTOESA-N 459.503 0.772 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1799304367 ICUAXCPIKDWGEJ-CLWJZODNSA-N 483.562 0.361 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(c2ccccc2)=NN1 1800152592 VKCZTBJHJDWHNL-YHELAOLJSA-N 452.559 0.624 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1800202508 RVXVEZXEDXYHBX-PNHQIZOTSA-N 473.530 0.319 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)C1 1804853859 UHYLZWAXJFHFJD-SREVYHEPSA-N 466.604 0.502 30 20 JCED O=C(C#Cc1ccccc1)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1806617187 FCKFHRUQMDVFKV-KNQAVFIVSA-N 456.439 0.864 30 20 JCED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807023701 IZYUBQIHJNXXJS-XLIONFOSSA-N 454.464 0.795 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)cc1 1807945767 HFBRSEBSKKHBJY-PXNSSMCTSA-N 469.465 0.713 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812340158 WQCNGWSBEDSROJ-FTRFTSBKSA-N 450.499 0.203 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1812717405 RIDOWWVPFDDJDD-UPVQGACJSA-N 465.554 0.754 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]1c1cccnc1 1813095719 JZSAGMZDZQYXGG-VKRNSVOSSA-N 467.448 0.624 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1814035152 DQDAHUSEQFDWPR-POAQFYNOSA-N 453.499 0.397 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN)sc2C1 1814794962 LGLVRINPJWLWLC-OCCSQVGLSA-N 496.590 0.819 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1819456366 HZMULXZPFOFFDR-GNCZZYFXSA-N 466.539 0.217 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1826893001 UKGVGBRDXGXPJB-QGZVFWFLSA-N 457.512 0.613 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828525861 YRBWUKUOBDGGKF-OAQYLSRUSA-N 467.469 0.961 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCN2C(=O)OCc1ccccc1 1828989674 FSVHMNICCDPZTO-JPYJTQIMSA-N 456.499 0.134 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829351260 JLXHFYWBJLDUAH-AOMKIAJQSA-N 459.524 0.845 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 1829768875 KKOWQQZGWZHQRC-WNWNSBFKSA-N 486.525 0.761 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1829770167 FCPJKORJXMPVMK-GYLQWBMOSA-N 453.499 0.263 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)nc2ccccc21 1830056683 MWEYFAUJGZSFDE-HSZRJFAPSA-N 453.499 0.553 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)c1ccccc1 1830415404 SWTSDGSBAIQWJX-CEQIKUNHSA-N 451.545 0.858 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1830641085 OQSWTMDCZFUOLX-UUOWRZLLSA-N 471.558 0.820 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1830881574 DHNVKVVKEQKXHI-PNLZDCPESA-N 489.635 0.673 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(OC)OC)CCO2)c1ccc(O)cc1 1831041019 JBBQBJIYXCHLIQ-DVECYGJZSA-N 460.527 0.965 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)CC)CCO2)C1 1831191332 LXGRMGCSSYKTRC-QZTZHPFYSA-N 496.605 0.827 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(=O)OC)c3)C2)C1 1831399211 RMRCTGOCAJJEOP-UZUQRXQVSA-N 459.499 0.973 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1831401753 DVEAAONOZBYUGT-PERKRYKHSA-N 450.919 0.868 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1831434316 WGSGAYRFWFSUQB-SIKLNZKXSA-N 458.552 0.104 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831448826 GZWCDHQWBGLJKH-VGOFRKELSA-N 463.556 0.238 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831486284 AUWAYGQJBKKLLP-GSHUGGBRSA-N 489.635 0.937 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1831609207 KRMDAJDHGOHGLO-QKKBWIMNSA-N 493.358 0.902 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1832000104 HBJMQQJQIHCODA-HYFFOGBASA-N 493.565 0.160 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn(-c3cccc(F)c3)n1)CCO2 1833352799 VBHCXGTWZRREAW-HSZRJFAPSA-N 453.474 0.890 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c(O)n1 1833699768 LNBMVLMNFZAOHZ-DNQXCXABSA-N 491.541 0.592 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1F 1833738191 YBWTXAKYMUAXHY-HSZRJFAPSA-N 462.522 0.880 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1834776174 DKGLAMYZDFBDQA-YFWMHCOGSA-N 493.557 0.479 30 20 JCED O=C1NCCCn2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)cc21 1835099950 YAZKBFXGFGYFLY-RUZDIDTESA-N 477.521 0.138 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835208410 IPHSELXPLUKIDO-VGOFRKELSA-N 453.536 0.348 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1835672748 LJMQVRVUSLDABK-QFIPXVFZSA-N 462.526 0.778 30 20 JCED Cc1cccn2ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)c12 1835682390 FYXPJYCGUDLCIO-XMMPIXPASA-N 468.558 0.995 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835697498 DRROXMDCABDMOI-GOSISDBHSA-N 490.605 0.903 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1835714109 WXRYYQAPQWWPEG-SFTDATJTSA-N 481.590 0.626 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1835732617 OZNFDQLLPFJPFM-UZXYXVAJSA-N 467.636 0.607 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(Cl)cc4nn[nH]c34)CC2)CC1 1836135089 ONFPKQPVSMUQRA-UHFFFAOYSA-N 458.906 0.885 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nnc(Br)n3c1)CCO2 1836256263 IGONEELQSNBVQG-GOSISDBHSA-N 463.292 0.475 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837020382 LQCPBLZGCLUNIN-DEOSSOPVSA-N 476.493 0.750 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nc1 1837491447 NKLHQEKUVXTOND-DEOSSOPVSA-N 457.527 0.859 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1837524280 DTFBLXQDZKBCMW-UJHCQMTCSA-N 498.540 0.866 30 20 JCED Cc1noc(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525710 YUZLTUVKZUINBG-BPHSFESTSA-N 464.519 0.819 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)no1 1837533406 SKTKITJVRAIYLO-YITPPGKRSA-N 450.492 0.511 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cnc2c1 1837563725 XOERAFXNOJEFMV-YXXFYMNXSA-N 493.520 0.785 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837737502 ZQYZCZVTIXLEDX-SIKLNZKXSA-N 478.933 0.433 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C(=O)N(C)C)CC2)CC1 1837816160 ZMNILKXFJCVHEV-LJQANCHMSA-N 478.590 0.990 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)c(N(C)C)c3)CCO2)C1 1839114412 QSQOJKSUSXJCSV-KOSHJBKYSA-N 459.543 0.870 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839139316 ZJWVFFMQFJYJDH-JOCHJYFZSA-N 466.535 0.288 30 20 JCED Cc1cc(Br)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839281867 SNMTWNNSWSCQIR-HXUWFJFHSA-N 465.300 0.916 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)ccc1Br 1839400846 COEXHYNFTMOIGL-LJQANCHMSA-N 475.303 0.823 30 20 JCED CN1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487342 CGZWPYDLCOVSBA-CVDCTZTESA-N 452.515 0.599 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)nn1C 1839487829 YKDAWGJEZMQQOK-HSZRJFAPSA-N 463.498 0.860 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1839571916 SMBWDISMDNPRPP-WNWNSBFKSA-N 468.510 0.110 30 20 JCED COc1cccc(-c2ncccc2C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041668 ANCHVYDJWFJWIU-VWLOTQADSA-N 479.489 0.915 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1840088304 XPPOFTLNFIBIFS-HYFFOGBASA-N 453.536 0.394 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)c4ccccc4OC)C3)C2)C1 1840171027 KDTIZBZYTORAAJ-DEOSSOPVSA-N 457.527 0.800 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1840171768 YPIHNQFCAYWASD-HTAPYJJXSA-N 451.520 0.597 30 20 JCED Cc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840819619 WKGXUSSBFZMEDM-HSZRJFAPSA-N 451.483 0.806 30 20 JCED CN1CCCN(c2cc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)c([N+](=O)[O-])cc2F)CC1 1844738651 SSSBUGKZKYJGOB-UHFFFAOYSA-N 487.488 0.781 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1845130359 IUOGXUKCVVZXOV-INIZCTEOSA-N 475.546 0.438 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)CN3C(=O)C=CC3=O)C2)N(C(=O)OC(C)(C)C)C1 1846461564 NQTUIXGRNOZTSN-INIZCTEOSA-N 458.515 0.680 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1847102415 ZSWKFAYDTVVFJC-OAHLLOKOSA-N 462.551 0.835 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1847941948 HLVFRQQAPUQABV-SQNIBIBYSA-N 484.619 0.388 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)OC)C1=O 116543588 VULOYBFRVUPRGO-HNNXBMFYSA-N 459.455 0.670 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC)c2=O)cc1OC 507086412 HMQLQOWAPHIKKN-UHFFFAOYSA-N 461.540 0.611 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 523742992 QMEUFUGVNNKDHN-UHFFFAOYSA-N 458.496 0.216 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCc1cccnc1 524108777 UNIMDCWSSKRADA-UHFFFAOYSA-N 475.509 0.516 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCNS(C)(=O)=O 524282069 OOVRTILNQWDQLD-UHFFFAOYSA-N 469.535 0.855 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(CC(N)=O)c2=O)cc1OC 589156959 FTDHBUCFAQEQCR-CYBMUJFWSA-N 473.551 0.929 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828021 CGYBYPMBPJSGNF-MRXNPFEDSA-N 476.558 0.961 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1-c1ccc(C(N)=O)cc1 608828542 AFNARTFHNOSUAJ-UHFFFAOYSA-N 465.560 0.822 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O 608912233 PKJWABKSRKPRDP-UHFFFAOYSA-N 455.359 0.247 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCS(C)(=O)=O 729673047 RUKDOIQHNKPGMV-UHFFFAOYSA-N 477.608 0.769 30 20 JCED COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 745299175 YYFCIAJMXJOKBT-UHFFFAOYSA-N 452.471 0.601 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N[C@H](C)CO)cc3)CC2)o1 915478263 GMHSGOZNEGBJJY-CQSZACIVSA-N 491.526 0.019 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 917202194 VGGHHUQVYUMBKR-QGZVFWFLSA-N 475.571 0.233 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NNC(=S)NCCN3CCOCC3)CC2)cc1 920359510 BCTKDOOSSDVMMP-UHFFFAOYSA-N 482.632 0.582 30 20 JCED CCC(CC)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1291934033 VDGUWAWERHVNHM-RBUKOAKNSA-N 495.650 0.993 30 20 JCED COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)OC 1301003873 OUUREYRXVQLHQT-NRFANRHFSA-N 483.573 0.459 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1301044977 OUTFYHHDWJDOAR-JKSUJKDBSA-N 460.988 0.668 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2CC(=O)NCC(F)F)cc1 1302995031 UNDVFQNLVWBLQR-MRXNPFEDSA-N 461.473 0.631 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCN1CCCO 1360676986 YZGPQCMOZOGMMF-IAGOWNOFSA-N 453.613 0.865 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1360713692 JEJBOJDTKAQNNQ-QAPCUYQASA-N 473.559 0.792 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ccc(F)c(F)c2)C1 1505138140 MSQOCDIOPXMMOT-YJBOKZPZSA-N 498.512 0.697 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nc(C(F)(F)F)ccc2=O)CC1 1613653104 SVPJQOMZRWTQIG-UHFFFAOYSA-N 455.418 0.667 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cncn2)CC1 1618842285 OAMJHBNCJAFIRW-UHFFFAOYSA-N 455.548 0.874 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C2CC2)C1 1692853439 NMABGWNRVUHKPI-OXJNMPFZSA-N 465.580 0.267 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712714575 ZYHVXOYNJYOMTP-KRWDZBQOSA-N 463.539 0.722 30 20 JCED Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1742113505 WJJISMYIFSZPFR-RXVVDRJESA-N 461.544 0.752 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1767856921 QNOMDKGLFKVJEX-QGZVFWFLSA-N 450.521 0.130 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C3)c(C(F)(F)F)n1 1777755369 KEGGPZTULZHOJD-GCKMJXCFSA-N 496.490 0.692 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)NC(=O)OCC)C3)C2)N(C(=O)OC(C)(C)C)C1 1778789239 APXLCIPYGYRIHM-MFEFFIJZSA-N 496.561 0.446 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780168203 FXXKGNZTJLEORP-QVKFZJNVSA-N 464.544 0.338 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780180565 DPCNASSDIPCBEN-NNMXDRDESA-N 460.487 0.509 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)ccc1Br 1781902359 HCIFMPPPMNBALV-IBGZPJMESA-N 460.288 0.640 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1782786501 FOQCKQMPYBLMLQ-QHCPKHFHSA-N 481.465 0.780 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1785574710 PDBDYOZRWIHMOC-ZYLNGJIFSA-N 485.585 0.698 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786743498 SEAONBAWRHKYCI-BURNTYAHSA-N 486.569 0.925 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cncn3)[C@H]2C1 1787089860 TZSZEFUWUBYRRV-SOWBTEIWSA-N 474.562 0.727 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)[C@H]2C1 1789848513 MMOKUOLTEBRZDW-QAETUUGQSA-N 451.520 0.446 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C(F)(F)C1 1791078391 YGILJKWXVLNMGK-QAETUUGQSA-N 499.511 0.946 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C(=O)N(C)C)c3)[C@H]2C1 1792097994 XRBMERBVSNOFLO-LEBGWRHOSA-N 468.554 0.840 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1792257940 QGYVAMPDKBGPQK-OKYOBFRVSA-N 476.574 0.505 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792271882 UJSQJXVEKZJIGE-FPSMNIFISA-N 482.578 0.326 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC 1793319361 ZSHJAIGZZKVKNN-ZMMAXQRCSA-N 487.619 0.870 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2nc(C(F)(F)F)[nH]c12 1797044428 NLPSXFFFKYATHA-CULMDFNYSA-N 450.373 0.873 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cn3c(nc2=O)SCC3)c1 1799073671 RPDCPOCYZJAPRV-RMFSNUHRSA-N 495.561 0.675 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800525324 DWJPJGUNKFCBOD-BFMVXSJESA-N 476.574 0.409 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800708213 FQZFUTYLSMAQAC-SFNKJDCFSA-N 489.573 0.253 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)C(F)(F)F)ccc1F 1801034399 QQLICTBPEHWIMS-ZSBFGKGUSA-N 456.396 0.508 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2)c1ccc(O)cc1 1801054131 HKJRDINVTPKTIU-RZUKHUMYSA-N 456.543 0.072 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cncn1)C2 1802125924 CIVWCMDMANKGEJ-UYTYNIKBSA-N 460.535 0.345 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1802480298 FNKCIQPPUXVXKF-VZVPXEAQSA-N 489.598 0.371 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)ccc1F 1808549008 HMFSWYGWWGOART-GAJHUEQPSA-N 478.484 0.893 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1810399525 NZOQPMQDVRJKCB-HQGJICSSSA-N 457.531 0.086 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC4(CCCN(C(=O)c5cc(=O)n6[nH]nnc6n5)C4)CC3)c2c1 1810488354 VILBNNQJCIIKKQ-UHFFFAOYSA-N 486.496 0.719 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2n[nH]cc2I)[C@@H]1c1cccnc1 1810820557 JSZCMNQXFGDKSF-SJCJKPOMSA-N 493.261 0.817 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)C#N)[nH]n2)n(C)c1=O 1815797228 HVZJZSHQMCJMSX-AWEZNQCLSA-N 481.517 0.399 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](O)N4CCOCC4)sc3C2)cc1 1819877029 NLHWMQHRXAGYSX-IIBYNOLFSA-N 455.540 0.820 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)c1 1821385876 YCLCCEJRPNNPBI-DZGCQCFKSA-N 456.528 0.842 30 20 JCED CC(C)[C@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828558652 FDYIAASAGJEHKV-URXFXBBRSA-N 471.510 0.543 30 20 JCED O=C([C@H](O)N1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828976308 UHPXXZMFXMUNRE-HZCUQXPNSA-N 466.579 0.786 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCN2C(=O)OCc1ccccc1 1829151761 WEUNMCLMENVWTO-DEOSSOPVSA-N 477.477 0.874 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCN(C(=O)OC(C)(C)C)CC4)C3)C2)C1 1829674946 HKRJTWSOYOLPLG-RUZDIDTESA-N 492.617 0.962 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829712957 HGYRDUHVYRTQBI-QHCPKHFHSA-N 465.616 0.190 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1829764856 ATHCFOXWBCHNKS-YRTIDYAOSA-N 458.515 0.176 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1829766024 GQHQGELOXZJSLD-WNWNSBFKSA-N 471.510 0.386 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C)nc3C)C2)C1 1829773319 HAQZKQFRJKGQOC-IQMJAMCRSA-N 470.570 0.946 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830456622 NXTNRRJYEMTCLU-NAFJXCGOSA-N 466.538 0.806 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)CCO2 1831248350 FQMSCZBCZZQCMF-FURZLZPVSA-N 482.537 0.494 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C2)C1 1831391018 DJYHVCQIIQVSSE-CVDCTZTESA-N 478.567 0.263 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3Br)C2)C1 1831396648 OSUQHUJOFQAUSO-FOIQADDNSA-N 466.332 0.952 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1831407198 SEDYFPWDFSPLAL-JOCHJYFZSA-N 450.536 0.582 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1831409055 JKFTZPRPPZFIQY-XMMPIXPASA-N 471.510 0.874 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1831486752 GSYRJUSIJDZVAU-UTKZUKDTSA-N 451.545 0.877 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)cc1 1831727720 UZOSMWCULFXHDJ-QHCPKHFHSA-N 451.483 0.757 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1832052736 WKQMFWJDRTVHRT-MBSDFSHPSA-N 473.530 0.966 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(O)n5)CCO4)C3)c2c1 1834193668 WTGKFQXYUICTHI-QHCPKHFHSA-N 462.466 0.919 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)COC(=O)C(F)(F)F)CC2)CC1 1834716147 GYAFCTVFVWVJQJ-UHFFFAOYSA-N 475.512 0.945 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(F)cc3)C2)C1 1834756122 RTVJMMKJXHPAEK-CVDCTZTESA-N 458.490 0.800 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1835169396 BRQIHERUWUAAOB-SKLAUCLBSA-N 472.542 0.886 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349326 CUOOTMLQIUZVRQ-HJPURHCSSA-N 494.545 0.203 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835351669 ZZPBPUIANVJITR-RDPSFJRHSA-N 494.610 0.662 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)[C@H]2C1 1835362317 LFSRECSIVPXGAI-NRAIQUKZSA-N 492.573 0.628 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835515757 SMZDBUFELCLMHS-NRFANRHFSA-N 486.617 0.775 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)c1 1836128380 KBCYRYJWCAPOTI-XMMPIXPASA-N 482.493 0.660 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1836473376 FNUXALULIVEQIT-CYFREDJKSA-N 488.541 0.514 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3Cc4ccccc4O3)CCO2)C1 1836647647 NTBDZVFSVYRUPR-HYBUGGRVSA-N 456.543 0.728 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1837486110 XCEIXNWEOYGUHN-JOCHJYFZSA-N 461.471 0.956 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837530879 SFLMMEXRICESIX-YVECZINYSA-N 490.492 0.467 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)o1 1837531889 ZKVIFNKLFORFOZ-IRCLMUFRSA-N 478.502 0.837 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)N4CCOCC4)CC3)CC2)c1 1838402008 GQVCYVWDHSHMHG-VWLOTQADSA-N 486.569 0.830 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)C[C@H]1CO2 1839085883 QNTPTWAMJUVBMH-RTFZILSDSA-N 478.546 0.525 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1839101056 HTTKOUFTVMHANV-NLFFAJNJSA-N 469.586 0.193 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1839109248 YUUZBWCKWIZGFO-IXFSTUDKSA-N 499.630 0.590 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3c(C)cccc3C)CCO2)C1 1839155998 UIJDKDUQBJFJDL-DVECYGJZSA-N 457.527 0.737 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1839388154 IEMVXZBYAGJGIG-KUHUBIRLSA-N 463.478 0.497 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486276 RHSSUBCSIZEBCK-FPTDNZKUSA-N 454.487 0.016 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839512161 NZHWTDCAFFFRQQ-XLQQFJOYSA-N 481.509 0.264 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c3cccnc3)C2)C1 1839806250 HDAMMUZFKVFFDL-WMZHIEFXSA-N 458.515 0.737 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1)C(F)(F)F 1839893089 LXKCXTVTCKNZED-GOSISDBHSA-N 455.393 0.623 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110988 PLRCLDLUVBUXEC-IIBYNOLFSA-N 455.577 0.678 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840160569 LLDQYHBLLXSKNY-XFQAVAEZSA-N 473.592 0.397 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840457833 WMUGAABIYJQBKI-HFSACFKOSA-N 461.519 0.395 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1 1840712480 LDZFMALIHPDIMI-SBUREZEXSA-N 456.499 0.836 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)C1(O)CCC1 1840818050 HQWNROUIXCPDBU-JPYJTQIMSA-N 457.527 0.945 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818990 JBJUYSONCPAIIY-NDEDVSTASA-N 457.483 0.513 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1840915660 RXTFFEJFSQCFPX-QQMNAOGKSA-N 482.578 0.424 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1840944801 AXJVGNWFFIIOSA-NRFANRHFSA-N 466.510 0.706 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1841053302 JBFJNQORQZSZIG-BTFXCVNISA-N 476.574 0.666 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258061 MOKQSVFMXALFAN-DMGPTTAYSA-N 451.568 0.937 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CCCN(c3cc(NC4CC4)ncn3)C2)C1 1845008441 LMIHMKAGIIDRFD-INIZCTEOSA-N 452.515 0.559 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C(F)(F)F)cc2)c1=O 480246562 DSPPTSIXYDDQMA-UHFFFAOYSA-N 466.485 0.417 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 514918392 DCMGRKJGFNAFGK-UHFFFAOYSA-N 459.499 0.792 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(C)C 515923241 BHVHNHXISFKTJX-HNNXBMFYSA-N 477.608 0.623 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(F)c2)c1=O 590996363 ZHVJTMZWOGUJAE-UHFFFAOYSA-N 490.626 0.753 30 20 JCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 592225419 WGMRYSKQVYCGFJ-DYVFJYSZSA-N 450.496 0.218 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 643084823 NXDFZYHCJPVMPP-UHFFFAOYSA-N 494.595 0.998 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 916692807 INXIBKSYHIMMAA-CLCOLTQESA-N 490.586 0.798 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccccc1 1301968829 QMYLLDVEJBBQNH-CVEARBPZSA-N 466.589 0.755 30 20 JCED COCCN1C[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1=O 1316117641 NVGCYGSPSNVUKZ-HOCLYGCPSA-N 453.569 0.123 30 20 JCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)CC2)cn1 1468974688 YLDMKJUWNPDLJJ-KRWDZBQOSA-N 459.532 0.703 30 20 JCED Cc1c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)cnn1C 1542111036 UXMOKBBEDPOCBL-QGZVFWFLSA-N 462.580 0.831 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)cc2F)C1 1620171816 LJZNPUXVJFUJOG-WBVHZDCISA-N 468.486 0.666 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 1632832832 WLCTVVGHVDMEID-CQSZACIVSA-N 456.590 0.934 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 1690228973 KDVJKSNYEKBQAI-QWHCGFSZSA-N 450.359 0.745 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1692795066 NXPNNLURERGLGI-IEBWSBKVSA-N 493.682 0.091 30 20 JCED CC1(C)CCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1692860711 OEQIDNPXNSPIBF-BEVDRBHNSA-N 470.571 0.994 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2CC)C1 1710348513 ZDGLFBCARCQGHI-QGZVFWFLSA-N 455.548 0.994 30 20 JCED N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1712876150 VSSMYOOWOLPEQD-FQEVSTJZSA-N 461.523 0.846 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1729544348 MFZSOTQQOHKQEO-UHFFFAOYSA-N 466.589 0.627 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(N(C)C)CCOCC1 1741942029 ZWTHKFJURXTTQC-AEFFLSMTSA-N 480.639 0.176 30 20 JCED Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)n1 1748038609 LPAOXGFVUGQKLS-INIZCTEOSA-N 455.548 0.759 30 20 JCED N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1750388295 NKKBCQAKBPYAMN-SFHVURJKSA-N 453.528 0.971 30 20 JCED CS(=O)(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770362887 VCQHSBZZQSAHCD-QGZVFWFLSA-N 460.564 0.662 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778262265 XOBJOUQIIVSODX-CPJSRVTESA-N 493.649 0.923 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)N2CCOCC2)CCO3)ccc1Br 1781904057 YIJAZAUJBZJSPH-TZIWHRDSSA-N 493.358 0.415 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cnc5c(O)nc(NC(=O)C(C)C)nc54)C3)C2)C1 1782884861 CDWSJSFXCSFSPB-XMMPIXPASA-N 497.556 0.923 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CCO2 1783046082 JGQZESUNXITONZ-QMHKHESXSA-N 480.562 0.868 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1783994423 XGABASCOTIKSSX-OVJJIZRPSA-N 498.577 0.381 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4sc(C)cn4c3=O)C[C@@H]21 1784483665 FOECITJWPPFGLO-FZCLSBEQSA-N 458.540 0.696 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1785577070 KJEMKZYJYDMJQA-GAJHUEQPSA-N 478.546 0.575 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C(=O)C1 1785669195 AJYQTRLDLGSBPK-JOCHJYFZSA-N 463.535 0.199 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cnc(OCF)cn1 1785686810 AKZBBJUFJYYNNC-HBCKGEQVSA-N 465.482 0.905 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1788171741 LFVDHEBETUDWTP-ADHGMGHFSA-N 481.521 0.649 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789200253 ZHWIQCYNWQTKFP-LAQRGFTBSA-N 455.515 0.256 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789769670 GWAIOGPUGBLQKW-KNJMJIDISA-N 461.559 0.877 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791076805 LZUUWBBHZZLAAD-CFLDLGCGSA-N 463.531 0.701 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C[C@@H]21 1791259055 MOWDNBGQONPMHU-VIQHNZTISA-N 457.593 0.920 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792422923 FIGXPAPEOBVROG-KBMWQNTOSA-N 462.572 0.408 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1793082320 YWFOBBDPTUWRSW-ZSXDVEMLSA-N 467.563 0.803 30 20 JCED COc1cc(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)CC2)ncn1 1793134277 WTHVMXZAFGWWCC-LIWPOLLESA-N 499.616 0.763 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1793348283 LOPJFZZJKLLXKO-AJYBTWMASA-N 469.579 0.835 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1793379974 GCXXPTMZIQOACG-BQJWPVKWSA-N 459.609 0.806 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(N)=O)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077726 YLUYMQWVMBHHFA-RCLSDMTESA-N 499.568 0.725 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795419827 FNGFXTKPCWUWNU-CLWJZODNSA-N 479.578 0.641 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795421994 NEBLHKJXKRNASQ-YYAJDYIMSA-N 466.535 0.726 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795636166 UBEDZYUGRVDCDL-OREBXVKISA-N 481.594 0.028 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1796392533 AHWOPVZDECEMDG-BIOYHVBCSA-N 481.594 0.587 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796574250 VYDGNBYQHONKIZ-IJUZYZCRSA-N 498.544 0.534 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1797779409 JETLLWIJTVTYIK-FCQWJQKHSA-N 450.499 0.817 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797803692 MRJJCZWKSVWQOB-KKXBDNRESA-N 496.605 0.086 30 20 JCED COc1nccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1NC(=O)OC(C)(C)C 1798272930 VGJLSCJCVCVLFF-ZSBFGKGUSA-N 488.497 0.728 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C2(CCOCC2)c2ccccc21 1799070391 NASVZBRFTUGNRV-PZTGFMGMSA-N 473.595 0.989 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799180743 JCRZSILIYKYVSZ-YMQHIKHWSA-N 493.649 0.681 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C3)c(C#N)c1 1799237524 QHTRLSFMBSJYSI-DFVRBWPNSA-N 485.566 0.501 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)[C@H]2OCC[C@H]21 1800781206 OFNXQRNNZZFWBF-WSYNCDOCSA-N 491.541 0.079 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@](C)(O)CC(=O)O)N(C(=O)OC(C)(C)C)C1 1801008170 QLPJCGUERYQYGK-NVHIMHAJSA-N 495.573 0.757 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1802124602 BZQQPXZYPNQSQD-YYAJDYIMSA-N 491.520 0.902 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)ccc1F 1804190379 NATMPFUVYWVYLK-UZUQRXQVSA-N 478.484 0.893 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807355934 ZURIIPUGQCHQDL-HHXXYDBFSA-N 465.514 0.705 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c(C#N)c1 1808164162 AMJMZXIUVBDAEF-MHECFPHRSA-N 490.520 0.762 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1811187497 PFWOJLQXAYFIFD-VXOOOEQTSA-N 481.513 0.819 30 20 JCED O=C(CNCP(=O)(O)O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1817235266 GDYSXPGDJPJKSQ-UIBRDTJHSA-N 472.439 0.656 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc4c(c3)NC(=O)CS4)sc2C1 1824222991 OXLUGHAPOHODEV-SNVBAGLBSA-N 457.493 0.896 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828585406 VKKIMGGYIDJPIK-VAXXYWNWSA-N 473.574 0.316 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1828922198 AGLGPDYECBMTDP-XMMPIXPASA-N 496.524 0.294 30 20 JCED CN[C@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1)C(=O)O 1828988939 ACEYEDQLIKPUJF-JTUHZDRVSA-N 492.598 0.820 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCN2C(=O)OCc1ccccc1 1829153954 CTCDAUBEDFTIBJ-QHCPKHFHSA-N 481.465 0.269 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C)nn4-c4cccc(=O)n4C)C3)C2)C1 1829667075 UCLOXBZNFYSDQO-RUZDIDTESA-N 481.553 0.916 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1829771513 UBRUSFLQZGIAGS-PXVHBKPVSA-N 498.580 0.452 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831386218 CYCUYWLKFFTPLB-IECBHUPTSA-N 495.573 0.117 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cn(C)nc2C)CCO3)c(C#N)c1 1831875735 CLCFACLSEMSUSM-XMMPIXPASA-N 467.526 0.922 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1 1831997740 FRAUTAOYXYDCLH-VGOFRKELSA-N 454.568 0.474 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1832667784 HZDZMLHCDRTGQF-HSZRJFAPSA-N 453.451 0.869 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)Cn4cnnn4)CC3)CC2)cc1 1833040232 XKABBNIVQVMBMO-UHFFFAOYSA-N 450.547 0.749 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)Nc3cnccn3)CC2)CC1 1833074966 IWSCOLPQZNSFPQ-XDXAGZTOSA-N 469.590 0.707 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)c1 1833237564 GSEXJISHSLYFTQ-UHFFFAOYSA-N 480.569 0.614 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833388606 KZAUHWSVFKARQA-UHFFFAOYSA-N 469.542 0.961 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2)c1ccc(O)cc1 1833885842 XVHNGALLGMSGKN-CYFREDJKSA-N 467.526 0.788 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnc(OCC)cn3)CC2)CC1 1833950397 IZUCIZFJFPNAHW-WAYWQWQTSA-N 470.574 0.919 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835124400 FQBXAMNSVRSQPC-XFAGBWLFSA-N 494.589 0.581 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)CC1 1835405443 ZWBWMHUKQJKBMK-XMMPIXPASA-N 490.004 0.919 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1835765450 JYFWESUYVUDEMO-IOCYEQIYSA-N 489.573 0.402 30 20 JCED Cn1nc(C(=O)N2CCC(N3CCC(NC(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)cc1O 1835767140 CZISYHSLVKDIIA-VQYZLWMVSA-N 462.551 0.840 30 20 JCED Cn1ccc2c(O)ncc(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)c21 1836081972 DRKZXHMQUSDUGI-UHFFFAOYSA-N 453.499 0.552 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836315975 LBFVFDFSDIBROT-WWCXEQRYSA-N 450.467 0.820 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836322081 ZAKKLVXEJFXBKZ-SZNDQCEHSA-N 497.474 0.909 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837296874 LWHZQLKWOJGRQR-AHWVRZQESA-N 497.548 0.876 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1837401394 YVWFLTDTUJTSIO-YADARESESA-N 475.542 0.901 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)ccn1 1837443354 GUZBGPJFCZGSMF-RWOVVYLESA-N 472.546 0.582 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)C(F)(F)F 1837524596 JYXTVEGOZDOTGS-YDYKYGGSSA-N 467.441 0.285 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1837526112 BOWKEFKGBOFAID-QCYAZGCDSA-N 489.525 0.943 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1837529946 HCHIKZGXBRCELO-XCUVTCGESA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1837531408 LYSWMVYVZSQPIC-GKDCVJHBSA-N 492.573 0.373 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837547763 KHLLLJCVDYMLOF-WZONZLPQSA-N 460.531 0.938 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c1 1838582654 YCHKMZFEWZCLJA-HSZRJFAPSA-N 452.467 0.584 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])CCO2)C1 1838602297 ZGXSQVRHQDWUKA-NYHFZMIOSA-N 479.486 0.970 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838628849 ZWZFPLGCDKBGEO-BUXKBTBVSA-N 453.473 0.712 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)N1CSCSC1 1838738176 VFLCTDUDGSTISZ-FOIQADDNSA-N 465.601 0.999 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838765581 JXNFNDKPONBDDH-BMUJQWSWSA-N 470.408 0.606 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(-n5ccnc5)ccn4)CCO3)C2)c1 1838796213 SEMCKDXPEZHAAK-HSZRJFAPSA-N 461.482 0.851 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OCC)nn1)CCO2 1838831375 HQDZVFIXCCGANV-QFIPXVFZSA-N 462.503 0.455 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)cc1 1838951501 SZIDWPJJGAQVGN-QFIPXVFZSA-N 451.439 0.430 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2ccc4ncnn4c2)CCO3)ccc1F 1839049058 HIPSWWODVOSNCU-VWLOTQADSA-N 492.511 0.982 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(C#N)ccc5F)C4)C3)CC2)CC1 1839107395 IQGLZIHAGGLOLC-DEOSSOPVSA-N 485.560 0.547 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccncn4)C3)C2)c(C#N)c1 1839132449 HDWQANHZSVFCCK-HSZRJFAPSA-N 451.483 0.670 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185512 DSOAGAJGKNZQDA-MWTRTKDXSA-N 460.506 0.611 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)c1=O 1839361332 CPWAAWBRSWWVJQ-DEOSSOPVSA-N 450.495 0.835 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363307 CPEDZIACQBSWRS-YADARESESA-N 488.541 0.666 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363408 TXOHFMJWIZKDDL-XUZZJYLKSA-N 487.509 0.317 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424148 QFKFPBNLOZDUEX-IVZQSRNASA-N 460.918 0.972 30 20 JCED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839466694 PBMLAMBLLLYWDZ-QHCPKHFHSA-N 489.529 0.961 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cccn1 1839489149 ODLOXSDFTLZISU-QMHKHESXSA-N 463.498 0.962 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3cccn3C1)CCO2 1839738764 GLPUACGKUKESOA-UQBPGWFLSA-N 486.569 0.945 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839860386 SACKIKYCKAOKKK-NTKDMRAZSA-N 494.589 0.276 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CCO2 1840003010 PHDZSWAAXNBMGE-DHIUTWEWSA-N 476.530 0.232 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)N1CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1840045131 RXAQOALASVSCIW-ZBLHWPFVSA-N 491.541 0.319 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840164172 BAYYVLQEJWRIMO-GXZWQRSESA-N 489.591 0.218 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1)c1ccc(O)cc1 1840221743 IJNNJNHWKJSBIT-ZJCBTPCYSA-N 486.569 0.793 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840371582 RKTWGHTYKJDYGJ-QPPBQGQZSA-N 498.515 0.238 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813816 XHLIQTQNSLZNDS-UUOWRZLLSA-N 492.573 0.773 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2)C1 1840840575 FLGPYHIEJJRXHE-MSHBGSJOSA-N 499.630 0.518 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2 1840854825 OUXANVRSCLMKRM-GCJKJVERSA-N 453.536 0.257 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)[nH]n3)C2)C1 1840908672 GBZUHBGOMTWTGA-UZUQRXQVSA-N 475.546 0.705 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1840912461 JGGPQDRVZAEXQV-GAZXMLTASA-N 489.573 0.878 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)C1 1845106917 KIARHYFJODBGPH-VURXPMLHSA-N 463.579 0.889 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1845199798 VZZUWLAFDSIBTP-JKSUJKDBSA-N 451.568 0.642 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1846282608 ZTFFJFZUIIDFFR-GOSISDBHSA-N 483.573 0.681 30 20 JCED CN(CC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 25386447 NYXHPMAPUCWGAT-UHFFFAOYSA-N 455.540 0.962 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1=O 27477416 MFESHAPZPAEECP-UHFFFAOYSA-N 481.962 0.161 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnc(N3CCOCC3)s2)CC1 109068145 YSJUTLSURJWZTF-UHFFFAOYSA-N 494.624 0.872 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1=O 504702495 HQYMIWAAJGLSRV-UHFFFAOYSA-N 454.892 0.150 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(C(F)(F)F)c3)c(=O)n2CC(N)=O)CC1 524282007 LKIBAURBNFOUDS-UHFFFAOYSA-N 493.511 0.081 30 20 JCED CNCCCc1[nH]nc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c1C#N 598543989 MERMSHHEEBDWPY-UHFFFAOYSA-N 475.575 0.773 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1-c1ccc(OC)nc1 608883712 AWXQQAODATUYPA-UHFFFAOYSA-N 472.473 0.846 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCNS(C)(=O)=O 608912398 KUPROVCTAAXEFO-UHFFFAOYSA-N 485.591 0.035 30 20 JCED CS(=O)(=O)N1CCN(CCNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 608923215 CLZPKLAKVBYYNJ-UHFFFAOYSA-N 462.576 0.496 30 20 JCED C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 610924665 XUSXPRDKNQVMBD-ROUUACIJSA-N 461.588 0.485 30 20 JCED CCN(CC)C(=O)CN1C(=O)[C@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403255 JONZCYPRGBOFRX-BIDVBJRCSA-N 469.589 0.139 30 20 JCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC(F)(F)F)C1=O 726404190 SSTVMGJZQQLZQQ-OETDOYICSA-N 482.506 0.849 30 20 JCED CN(C)S(=O)(=O)N(C)CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 731143853 XGIQYDDWSYYHIF-UHFFFAOYSA-N 458.562 0.240 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CCOC 838250804 NMEXBWJJNJLMKY-UHFFFAOYSA-N 479.942 0.246 30 20 JCED Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 916182431 KXTRBWZTGBOFQB-UHFFFAOYSA-N 465.557 0.814 30 20 JCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 920395358 OJTUHIWKLONKQY-UHFFFAOYSA-N 474.495 0.263 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCC2CCOCC2)C1 1316357252 QBYVDVDTGMOMTQ-APWZRJJASA-N 456.544 0.870 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCS(=O)(=O)N3CCCC3)CC2)cc1 1536483161 WIAWLJCEPVYFQD-UHFFFAOYSA-N 454.574 0.501 30 20 JCED COCc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)ccc1F 1555307912 XTOROLOZWJCRLV-MJGOQNOKSA-N 494.549 0.674 30 20 JCED C[C@H](CC(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1569263147 WSTIYGAIFCIGTG-KGLIPLIRSA-N 454.549 0.848 30 20 JCED COCCN(C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619875106 NBDCIJMAYJFZNZ-LJQANCHMSA-N 467.578 0.791 30 20 JCED CS(=O)(=O)NC[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1642089846 XSCGKXLHBCPREI-YLJYHZDGSA-N 451.568 0.796 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1698318854 NRPMTQKNVARTEB-UHFFFAOYSA-N 486.602 0.110 30 20 JCED CC(C)CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1706444666 LJIIOCDOAMHJLN-HLIPFELVSA-N 470.596 0.527 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCCC(=O)NC2CC2)C1 1712707427 WCEZTEMNJWVQMX-SFHVURJKSA-N 479.607 0.800 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(C2CC2)C1 1723779352 LNEVPEINAGGHLM-SOLBZPMBSA-N 451.597 0.834 30 20 JCED Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)c(=O)n1C 1751517315 QWWXDCILUIGCNK-MAUKXSAKSA-N 474.591 0.120 30 20 JCED CC(C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1760820850 VXBXWOAHXOCXKB-MOPGFXCFSA-N 490.586 0.831 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](O)N3CCOCC3)C2)cc1 1779415810 OATDBEHBGLDDIO-AGILITTLSA-N 456.543 0.531 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N2CCN(C)CC2)C1 1780640782 JQBWNDCYYBBCHX-XFGYDDDFSA-N 451.612 0.937 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1781295611 NKDRUNMYEWOSTO-HKARXFIJSA-N 464.563 0.812 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781353972 BJDOVXQZVLHIPY-JLHGSKIFSA-N 470.567 0.893 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)cnc2s1 1782010377 KKOAGGHHFHORQU-QVKFZJNVSA-N 458.496 0.280 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(N3CCOCC3)cc1)C2 1782010436 UVCBQEUPJXUYHD-HYBUGGRVSA-N 455.511 0.739 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@]3(CN(C(=O)[C@H](C)S)CCO3)C1)C2 1782856282 PKLFWSSWOKAWBJ-VFCRVFHLSA-N 450.561 0.770 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C[C@@H]2OCC[C@@H]21 1783535439 DETGYVOJJSQGLP-LZDTVADOSA-N 491.541 0.319 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2)c1ccc(O)cc1 1784014773 RUAHMJADOXZBRZ-DFBJGRDBSA-N 465.506 0.644 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1784786527 PNXIKYQKIHYXAY-SIRPWMCASA-N 493.561 0.034 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785331103 PNDQRPNCKPEYSI-YEWFCNIMSA-N 488.541 0.482 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786369543 FJFSFWDLGVRCHA-QAETUUGQSA-N 480.566 0.222 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1 1788093033 OQUSMCLRFVNFHO-WHZJULEDSA-N 475.586 0.997 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)CC1 1788194294 HDNKLRBOTRBJOM-ONTIZHBOSA-N 455.559 0.164 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1788656696 RWXSEHRPGCZSHT-ZNTQFVCHSA-N 475.546 0.643 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNCP(=O)(O)O)C[C@@H]32)c1Cl 1789267915 HTLXYFYZMYGQGE-BPUTZDHNSA-N 470.850 0.530 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]32)c(C#N)c1 1789843505 QTJROWGJEVRWKV-JLPWOHBFSA-N 473.526 0.705 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1789958896 XMMBFIBTJHQANA-IQWQSGHPSA-N 456.540 0.610 30 20 JCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C[C@@H]32)CCC1 1792141434 NPFUINRAGAIOHO-XIRDDKMYSA-N 457.556 0.565 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1793597583 OECGVXUJMNBSDG-SFNKJDCFSA-N 480.562 0.888 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1793599944 MLEDVBYXMQQUIX-KSWRQPAISA-N 463.539 0.293 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794107959 DGEACRWCYQYCDK-XIUQWWLSSA-N 450.561 0.537 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CN 1795514203 HMDVVSXCYGHPKA-QTMHVTGLSA-N 450.580 0.868 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CNC(=O)c3ccco3)c2c1 1795847135 IDOVJTVYZQKCRR-YVWYUNDQSA-N 462.466 0.661 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795848880 DYYUJFJEZFTQHK-AXVVYFOYSA-N 488.541 0.516 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](N)CCC(N)=O)CC1 1795978519 FLWMIKWHKPSLQQ-MHORFTMASA-N 490.605 0.758 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796344045 PYHVPDJBHNSUQE-XRGAULLZSA-N 477.518 0.560 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cn3c(nc2=O)SCC3)cc1 1799074477 DCRXRMGDGRGNIK-OPVJXMOQSA-N 465.535 0.667 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(I)cnn1C)C2 1800986205 XPSYWAKUHDXJDE-GUDRVLHUSA-N 464.329 0.546 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1803900044 BIRYALVPYQTATN-VJANTYMQSA-N 460.579 0.843 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]1c1cccnc1 1813062715 KLGWDGMKRCMZLG-GHFVKYDCSA-N 458.515 0.562 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1813174820 JASVISJRWKODBZ-PKZIZAKKSA-N 469.498 0.541 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CNC(N)=O)[C@@H]2c2cccnc2)c(C#N)c1 1814228447 SETHQBANUHSHMY-VGSWGCGISA-N 450.499 0.879 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cc3cn4c(nc3=O)SCC4)sc2C1 1822479577 YGUHBDLBBUXICY-TZMCWYRMSA-N 473.580 0.999 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1822924344 BVLOCNSBPPTJLF-JTQLQIEISA-N 472.487 0.004 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)c1 1825320448 ZXXWSBUQWWGDGA-GOSISDBHSA-N 471.583 0.846 30 20 JCED Cn1ncnc1C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828804984 YSBCEESIPVSEED-QFIPXVFZSA-N 451.487 0.794 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cnnn4)CCN3C(=O)OCc3ccccc3)C2)CC1 1829014028 LKTGCDSUENORFS-HSZRJFAPSA-N 478.513 0.429 30 20 JCED Cn1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n1 1829332257 GKPDLNGSNNLCFC-VWLOTQADSA-N 493.520 0.503 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829830642 KEUBLMPUPAAKAF-JTHBVZDNSA-N 455.467 0.720 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907198 AGZNDJJRRGEQAG-GOTSBHOMSA-N 459.499 0.173 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4ccc(OC)nc34)C2)C1 1831396917 MMELYLWORVZVOD-MWTRTKDXSA-N 456.499 0.680 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1831401522 BDABDHGFHKFJPR-QZTZHPFYSA-N 497.589 0.145 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1831492538 MILKABFMAZPLQY-RXVVDRJESA-N 454.637 0.177 30 20 JCED COc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1832823872 JJXGPNBPGDVNDD-RBWLTTHTSA-N 473.574 0.951 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1833271818 NIVZDRFTXVZDHA-FQEVSTJZSA-N 462.591 0.857 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cn1 1833429910 IPGODDLDCAAMHV-DEOSSOPVSA-N 450.495 0.997 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1833439006 YXQOXMZHHQPYIO-DEOSSOPVSA-N 481.509 0.896 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](CC)NC(C)=O)C3)C2)c(O)n1 1833695832 HUCBQZYSVJPPPO-RDPSFJRHSA-N 474.558 0.891 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)c(O)n1 1833699724 KOYNTKIMGBKEDG-QFIPXVFZSA-N 488.570 0.886 30 20 JCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1833705191 OJLSUXWCJYIDLW-UHFFFAOYSA-N 459.576 0.522 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1834717246 UQHXMDMUNNVFAR-LJQANCHMSA-N 467.636 0.417 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756151 MLPKFDUBHHXDIH-CYFREDJKSA-N 487.557 0.887 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)CC2)ncn1 1834756333 XBWZLSHXGJQRHJ-QFIPXVFZSA-N 458.519 0.072 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1 1835399748 LLLVVODRTUWIGY-NTKDMRAZSA-N 456.543 0.716 30 20 JCED COc1ncccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675624 ZUKQQQNLFKPVOE-XMMPIXPASA-N 473.574 0.761 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1835677840 YEUOKZJOGJRIDQ-HYBUGGRVSA-N 456.543 0.728 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](N)c1cccnc1)CCO2 1835838326 PDAAMMXINSPIFR-OFVILXPXSA-N 479.537 0.879 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1835918772 NWXUVHKFRQUJKL-HSZRJFAPSA-N 496.911 0.193 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3cc[nH]n3)n3ccccc13)CCO2 1836776433 SXJBAWZDEGPDEX-DEOSSOPVSA-N 477.477 0.487 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1837305936 NIRCZHYDUXULEY-ZHRRBRCNSA-N 478.571 0.677 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837397406 QHNNSFVOJJJWRG-IERDGZPVSA-N 450.561 0.598 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1837664479 NWJTUAGYGVIUOS-XXBNENTESA-N 468.547 0.930 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838034132 ZLRDGKJJMORAMS-HXUWFJFHSA-N 454.478 0.630 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)CC2)CC1 1838718572 KLAHGCICYVSDBH-NRFANRHFSA-N 452.511 0.839 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c(O)c1 1838888761 JOSZQXDLKISXHG-NHMXVPMISA-N 460.531 0.943 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5ccncc45)C3)C2)c(C#N)c1 1839133039 YJNVQZOFUQZRIX-VWLOTQADSA-N 490.520 0.922 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839210328 LXNIXAWRLFFPKS-HXOBKFHXSA-N 480.562 0.412 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc5c(c4)NC(=O)CS5)CCO3)C2)c1 1839578039 MYPOCQMIUYGUTO-JOCHJYFZSA-N 482.522 0.709 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)cc1 1839718038 XEBCMOZPVNLUFS-DEOSSOPVSA-N 495.492 0.327 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839773610 BZFIGKDXXLERPU-WMZHIEFXSA-N 466.575 0.949 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840142973 FRDVVYTZSJISKJ-PNCHPQGNSA-N 456.499 0.712 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840165089 NAAKIYHGIPDDOU-XFQAVAEZSA-N 455.577 0.678 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219279 HEANGUPORUTLFG-DHIUTWEWSA-N 465.547 0.228 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840449865 WYPLYHHZKZTNCF-JOCHJYFZSA-N 454.487 0.075 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)c(F)c1)CCO2 1840526099 YYWQFLYWUKETOA-POUSAUBHSA-N 475.517 0.692 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C(N)=O)cc2)CCO3)cc1 1840645626 FTAITPWDNNMNLL-RUZDIDTESA-N 462.506 0.970 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840840071 WCBQRTJDFWWANJ-JBLMXEMSSA-N 479.530 0.390 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1840909123 NCWWFQDDOBYWNR-VFNWGFHPSA-N 463.491 0.056 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)C(C)(C)O 1840916042 NNZAAFULDFAARV-MZNJEOGPSA-N 494.589 0.801 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1841627321 SIOKLUKDKQQQQE-MRXNPFEDSA-N 464.613 0.999 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(C#N)c2Cl)n(C)c1=O 1848149540 AOVAENGYTFFUIU-HOTGVXAUSA-N 495.927 0.474 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 18447026 ODXMMWDBMOWXPE-ZDUSSCGKSA-N 467.525 0.982 30 20 JCED Cn1c(=O)oc2cc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 480908052 ASRYZTKPPSPOOF-UHFFFAOYSA-N 469.479 0.475 30 20 JCED COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 514460841 ZCVMWBBZTVKFEA-IYBDPMFKSA-N 452.533 0.444 30 20 JCED CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 518129622 OMRQWTWPBDMHLJ-UHFFFAOYSA-N 455.496 0.389 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)C1=O 581564366 LSBHHMMKPCAFRQ-MRXNPFEDSA-N 460.487 0.170 30 20 JCED CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604169254 WLSXPWFRAUYVRB-UHFFFAOYSA-N 456.528 0.927 30 20 JCED CCN(CC)C(=O)CN1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403261 JONZCYPRGBOFRX-RHNCAKJLSA-N 469.589 0.139 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC2)C[C@@H](C)O1 726584975 NMOXYAYLEPPLLW-QZTJIDSGSA-N 490.586 0.252 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cccc(OCCCC#N)c2)c1=O 727165202 XGAQEYWWVSZXNK-UHFFFAOYSA-N 457.537 0.168 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CCOC 797641020 GBHAHZKGRPJDKM-UHFFFAOYSA-N 465.959 0.874 30 20 JCED O=C(COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NCC#Cc1cccc(C(F)(F)F)c1 914653124 OKNVERWSHLFLDB-WBVHZDCISA-N 486.468 0.752 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3ncccc3c2)c1=O 916200158 VZBKPKQPHCLEBH-UHFFFAOYSA-N 450.520 0.466 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)cc1 918290187 RLKZDAGQLFCKGM-BWAHOGKJSA-N 471.543 0.577 30 20 JCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1296295069 YTKMNLZWMMZUGA-RDTXWAMCSA-N 458.544 0.887 30 20 JCED CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1314557417 LYBFOBOMJVMYPZ-KRWDZBQOSA-N 466.589 0.628 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1316356462 NNBCSDRFGMOEJU-HKUYNNGSSA-N 460.560 0.998 30 20 JCED N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)C2=O)cc1 1467706800 JVNJTLHMBOIYDY-KRWDZBQOSA-N 458.496 0.703 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1494656579 NZYBJQOCXHMRHA-BTYIYWSLSA-N 460.560 0.875 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CCO1 1729683525 YXODUWQWLBJMOT-SFHVURJKSA-N 453.503 0.017 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1747544199 OSRPQPRZYSSQLC-IBGZPJMESA-N 453.547 0.975 30 20 JCED CC[C@@H]1CCCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1763330448 PXZYXLAKKNFPLG-CEXWTWQISA-N 481.623 0.604 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1779102859 YTGYJQZUERKEOF-OYGDCGAPSA-N 486.591 0.017 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780922483 JKMAGGFBDGZTKA-XMMPIXPASA-N 486.594 0.865 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1)C(C)(C)S 1781426847 QQEZQCWLKLPMTE-IIBYNOLFSA-N 482.607 0.710 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1783223234 ZPYRQPRWCPQFGJ-OPAMFIHVSA-N 463.531 0.686 30 20 JCED Cn1cc(-n2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)c3ccccc32)cn1 1783561644 DGOXGYVYEHOLLB-XMMPIXPASA-N 461.478 0.896 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3c[nH]nc3cc1Br)CCO2 1783567118 QAKAZTHTVBZKFW-LJQANCHMSA-N 461.272 0.857 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784597371 LBGFOTIEHQGMQD-IXFSTUDKSA-N 489.577 0.761 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788651568 TUSMZCMZFLDIKT-MXBUBSDBSA-N 465.667 0.668 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789876336 IPRLMPUMNYTCNO-FPSMNIFISA-N 452.552 0.570 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cncn4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380244 OSCLDQVJEPPCTP-VJANTYMQSA-N 474.562 0.823 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(C)c3)C[C@@H]21 1792262162 ZYLNVCRGWHKPFH-WNHJNPCNSA-N 459.547 0.930 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)[C@@H](O)C1 1792451616 JUCWOHPUQQKJSZ-VYMYIBDJSA-N 487.557 0.707 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCSCC1 1792467576 PBMKKWGLZLATDD-AJYBTWMASA-N 480.631 0.541 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)[C@@H](O)C1 1792633287 JPOWMEYDDALYBC-QEOTZNIISA-N 450.536 0.354 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1792893910 MPJJZZHSESNECP-AYQMHNFFSA-N 469.560 0.375 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1793383491 UKMNYQLMAABOHT-JJTUDDRGSA-N 458.625 0.773 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)cnc2C1 1795083516 CRSFZEZXHKCXHL-CCWDJLKJSA-N 458.519 0.751 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1797311150 LNXWHVVPVVMJPA-XNFGBDPYSA-N 463.575 0.997 30 20 JCED CC(C)n1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)cc1C(=O)O 1797739164 XXQTUKZCXFILKL-NWIFUHBESA-N 460.535 0.837 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1798411957 BODQVPSYYVBSRP-VPTLXERWSA-N 483.550 0.281 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1Cl 1798590186 HATPMKGQYHJBLI-IVWMJMPLSA-N 467.873 0.460 30 20 JCED CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236013 AJLRZPBGRFGARQ-MHORFTMASA-N 464.563 0.888 30 20 JCED CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cc1O 1799846167 AUIGEFBCIJFUHG-XEMDLRDOSA-N 457.531 0.836 30 20 JCED CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)CC1 1799883321 HYBACEBPTWWGLD-OPMZPASUSA-N 465.558 0.275 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1800598032 YEAINDQBVDPDSF-WJAPJLHNSA-N 454.524 0.997 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(NC(=O)OCc3ccccc3)CCCC1)C2 1800778429 WCOGVUYDCHFOGA-HATOLVCRSA-N 483.521 0.903 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800988937 BMEQXHHWDLTEHK-USRAEIGSSA-N 459.565 0.351 30 20 JCED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2)c1ccc(O)cc1 1802420463 GDAPITQYLFIWOI-ZJPYXAASSA-N 475.509 0.967 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CN)sc3C2)N(C(=O)OC(C)(C)C)C1 1817077145 BUTJMNQYJXXIER-IPYPFGDCSA-N 464.592 0.907 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827402210 RBVRLXHFRPEZJA-IBGZPJMESA-N 481.557 0.745 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCNC1=N)CC2 1828285095 VESKHICEPMCFCZ-UKRRQHHQSA-N 489.602 0.812 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCN2C(=O)OCc2ccccc2)C1 1828591842 BUKHYOUYYKSOEJ-ZWWNWMABSA-N 476.555 0.865 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCN2C(=O)OCc2ccccc2)C1 1829014066 MQWRBXCBMVWYRJ-NTKDMRAZSA-N 497.556 0.716 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1ccnn1 1829247104 NHSSMMFSBICBHA-KOSHJBKYSA-N 494.508 0.379 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)cc1C#N 1829961269 KPQIHIMFDBJGMG-CLOONOSVSA-N 484.553 0.942 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1830053209 GYKGSHAVZYOARQ-XMMPIXPASA-N 468.510 0.679 30 20 JCED COCCOCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830467218 YBQROASKNBWDBE-QFIPXVFZSA-N 450.919 0.811 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2 1831096778 VCEWAEREPUOBMU-AUSIDOKSSA-N 467.563 0.503 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1831401648 DGQYJGCBBITSBM-YADARESESA-N 457.527 0.220 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1831420797 ZZXQJXXLSWMTLB-ODESFVKMSA-N 471.554 0.907 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cncc(S(C)(=O)=O)c3)CC2)CC1 1833463632 RGLNJWPZAQHRLN-QGZVFWFLSA-N 476.599 0.709 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833615402 SXGZCGKHUFTLAQ-OFVILXPXSA-N 488.585 0.561 30 20 JCED C=CCCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c(O)n1 1833759972 HPPXKFOGMNYBJX-FQEVSTJZSA-N 498.584 0.689 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)nc3)CCO2)C1 1833818192 JAAMYDUECJUMIF-NTKDMRAZSA-N 487.557 0.772 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833843931 IBPZMEFRLMSHLS-GAJHUEQPSA-N 492.577 0.745 30 20 JCED N#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(N4CCCNC(=O)C4)n3)CC2)CC1 1834033277 UTZMFECRCKETFT-UHFFFAOYSA-N 481.601 0.897 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834229555 AIYJNRSEALANIC-SBUREZEXSA-N 477.562 0.960 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c(C(F)(F)F)n1 1835395250 HUIYCSZUIGXQSQ-NRFANRHFSA-N 497.474 0.374 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835495613 MCUJDDATRKTDCX-RDPSFJRHSA-N 469.542 0.910 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835657357 NQPYLVAJVKZVHT-OPAMFIHVSA-N 497.618 0.376 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1835675237 YWYKJVYBUZGJAG-WMZHIEFXSA-N 458.563 0.210 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS[C@H]3CCCCO3)C2)C1 1835677811 OKHSQUSVRRETNQ-SIKLNZKXSA-N 468.620 0.984 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835678072 XQOAUQCZDDURKJ-VGSWGCGISA-N 451.568 0.029 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1835844207 MABIFCRWTOYYAA-QFIPXVFZSA-N 495.584 0.771 30 20 JCED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)cc(OC)c3)CC2)CC1)C(=O)O 1836124258 YQKBJIMJONPGQS-NRFANRHFSA-N 471.558 0.815 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CN(CCO)CCO)CC3)CC2)c1Cl 1836129592 XLDNODAFUDZXNA-UHFFFAOYSA-N 492.020 0.683 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)CCO2 1836684635 GEUZKEMCOAVBCP-URXFXBBRSA-N 456.543 0.648 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1837443702 OTXOXEZMUFKKMW-HLHNIQGOSA-N 496.568 0.707 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837767675 CXMZVCALIRLFQS-LXHZQTKUSA-N 480.468 0.172 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838110729 DZVGZDSZPYTKGN-NYHFZMIOSA-N 478.502 0.367 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncn(-c5cccc(F)c5)n4)C3)C2)c1 1838732419 PUCVLRFNPZQOOJ-QHCPKHFHSA-N 479.472 0.990 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1C 1838833959 AODMNPPOVRLESE-XTSMJKTBSA-N 465.507 0.028 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)c1 1838907673 IIZVYEQBMFJUTB-DEOSSOPVSA-N 460.494 0.914 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839048701 NXGWHZAFZUJURM-MBSDFSHPSA-N 457.531 0.301 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1839174007 ZTCJFGQWJUTHQJ-HXUWFJFHSA-N 499.362 0.762 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)ccc1F 1839186172 FAPBAFUZOCCJPL-QHCPKHFHSA-N 458.490 0.319 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)cc(OC)cc1F)CCO2 1839332718 UJFPREVSVIGPOH-VMXOYPLMSA-N 479.480 0.902 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839451101 ZVVHUIILZGTEPQ-HTAPYJJXSA-N 478.571 0.265 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)CC1 1839488981 KNZGLYMBNDAJKN-QHCPKHFHSA-N 481.509 0.848 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1840170905 CBKJPGQPBCCFKT-DVECYGJZSA-N 495.573 0.703 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840415660 KWUDPGVUPBGGAZ-STSQHVNTSA-N 492.577 0.765 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCn2ccnn2)CCO3)c1 1840445784 MGADQTHXTSUZHK-HSZRJFAPSA-N 452.515 0.629 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840799221 ORSJQNWAVVYKRQ-CYFREDJKSA-N 457.527 0.301 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819793 FPJHCBWVXIJSMA-GAJHUEQPSA-N 456.499 0.084 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1840820628 AXQSNSWAKSBYAE-IQGLISFBSA-N 479.537 0.922 30 20 JCED CC(C)(C)OC(=O)N1CCN(c2cnc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)cn2)CC1 1846195046 VWHHEPHPPPVLFM-UHFFFAOYSA-N 498.540 0.439 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196323 LJGYNWGLBQMXSF-AWEZNQCLSA-N 451.476 0.124 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1847260138 LWBUTQOEFGVNDZ-WGNRGZPTSA-N 488.585 0.930 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)cc1 1847308931 BBZTWJKRULMGLZ-LWYYNNOASA-N 481.578 0.483 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1 482792533 UVPXQEXWDVXCJM-UHFFFAOYSA-N 483.506 0.992 30 20 JCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 501361924 MRDPLBAPLQFITH-UHFFFAOYSA-N 484.520 0.725 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)c(F)c1 523236069 AVUACKVQUSEJLE-UHFFFAOYSA-N 452.446 0.200 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc2c(c1)OCCO2 619538558 JUWDIMRQQPRBAO-UHFFFAOYSA-N 493.541 0.944 30 20 JCED CCS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726401343 MUJKMCWRGHIVMQ-INIZCTEOSA-N 481.600 0.715 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCS(C)(=O)=O 729671111 HTVRIILSEMELQN-UHFFFAOYSA-N 477.608 0.691 30 20 JCED CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 769780491 QQRYYMLJAGQLNI-CQSZACIVSA-N 451.501 0.570 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 916714938 LXMIXWPKQPYMQY-GFMRDNFCSA-N 492.602 0.508 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 918285612 PZIGHEFRLUJIQL-IXPAQYDLSA-N 456.546 0.083 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 918297137 FCWNTNBZZFDHNH-SMKFHGBISA-N 491.570 0.288 30 20 JCED CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918422704 GIYOLOBWHIZKAN-PDNPPFGYSA-N 454.549 0.588 30 20 JCED C[C@@H](C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N1C(=O)CCC1=O 919259861 MQAYPUBQWDFXKC-ZDUSSCGKSA-N 455.427 0.536 30 20 JCED CC(C)[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 919318226 GMVFMIWEAZQMJE-SJLPKXTDSA-N 456.542 0.344 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1301774504 XKBCGESKNXDOND-OFNKIYASSA-N 488.614 0.771 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCC(O)CC1 1303402660 MNTGZCVPDOQTLW-UHFFFAOYSA-N 481.605 0.856 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCS(C)(=O)=O 1305786695 YNRGVRRSHPVEHM-QGZVFWFLSA-N 451.597 0.808 30 20 JCED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1314950987 JWVLZIOJTKTGIM-RDJZCZTQSA-N 459.576 0.917 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C1 1360785558 XXIQEQQXULQSBE-CRAIPNDOSA-N 474.609 0.176 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H](n3cncn3)C(F)(F)F)CC2)cc1 1471055043 DYWXPUQPUJJDAD-HNNXBMFYSA-N 457.438 0.969 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1508423903 JJBLTYCOGTZUHQ-SPYBWZPUSA-N 452.537 0.708 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)C1 1671495932 ZPEPAKVXGBZQQE-IPMKNSEASA-N 450.584 0.841 30 20 JCED CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)N1CCCC1 1694363918 CMKMDKHUCVNLTQ-SCTDSRPQSA-N 464.640 0.939 30 20 JCED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1697895081 VVBKHPWHACZZPD-SFHVURJKSA-N 461.544 0.608 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740803887 WEYLQWJVKCQAJI-CQSZACIVSA-N 467.987 0.881 30 20 JCED COCCN(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769783075 JDOYUWXXWWYWEZ-SFHVURJKSA-N 453.551 0.680 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1778082893 ZDWUNYWHRWONFV-PLOUGOBLSA-N 479.574 0.473 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)CCO2)C1 1778975576 HAYXQYGQPGHYHS-UQBPGWFLSA-N 494.633 0.942 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)C1 1779001878 JXZKEVRJCQPAJT-OSPHWJPCSA-N 473.526 0.997 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783288332 JIGIDZOFMCZELV-HOOSLVGPSA-N 493.605 0.865 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)OCc3ccccc3)C2)C1 1783507784 AVNBDPWECBAQFP-NSUVWMATSA-N 484.553 0.990 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1784012706 ADOLIQASAPUUKX-LTMIRXACSA-N 452.515 0.967 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4CNC(=O)C4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784087919 CXDSBZWLYSMZEF-QQMNAOGKSA-N 462.547 0.518 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784284364 KVUVRRCHTDNDBH-XSLAGTTESA-N 478.546 0.335 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1784480976 BOPDKNLODIGBPA-DQIRUUEWSA-N 479.574 0.376 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1784785133 WSXGSWQYIGKVGE-JONQDZQNSA-N 453.540 0.104 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785516335 OMGYGKLVPOKJMY-DGGJZMOXSA-N 481.546 0.311 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1785571074 AAPZGHDQXLCEBP-JPYJTQIMSA-N 457.531 0.766 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787151368 XFUGUAQSHFTCOQ-MPGHIAIKSA-N 466.560 0.414 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)C[C@@H]21 1788471466 GZHMESIWNYNYAZ-CJCBUOBESA-N 464.906 0.869 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)[C@H]2C1 1789695215 RWCYHPRFJZZNNV-WDMKGZBDSA-N 459.518 0.962 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C[C@@H]21 1791277941 HPPMODYKBRMYCV-QAETUUGQSA-N 453.536 0.999 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380350 XSPZCJRAARYEFL-OYSTVDSJSA-N 494.589 0.594 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3cncn3)[C@H]2C1 1791526093 VGDNWKZLDYXZKR-OKYOBFRVSA-N 474.562 0.565 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792636470 YNTJZMOPUMTNPR-DAWKRRPCSA-N 464.563 0.886 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1793601837 PHQNIBFPVLXUGU-UHDSXZAQSA-N 450.536 0.808 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796354274 OHJAVZQBMGNRHS-LOUJCGABSA-N 477.518 0.560 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnn2c1CN(C(=O)OC(C)(C)C)CC2 1797315506 ITPLGGHQKJHMJN-AYDFFVQHSA-N 480.591 0.550 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1CNc2ccccc2O1 1797674512 SEASWPIBXBXSLX-WWQMNQQOSA-N 454.527 0.698 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1797812573 VYFMHJWDCUOJLD-LIOOABDWSA-N 472.498 0.840 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1799232430 IIZNGDTXOCEZML-YYIAUSFCSA-N 461.519 0.970 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C2 1800451153 YSMIYDOVEBPOBY-KYHPRHEASA-N 480.562 0.627 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)C13CN(C(=O)OC(C)(C)C)C3)C2 1801000290 BKXMZRFYZSJAKR-ZMMAXQRCSA-N 497.614 0.576 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2)c1ccc(O)cc1 1801053748 NKPDRCPGNQOLPU-QWYWRFGTSA-N 471.554 0.129 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOCC2)C3)N(C(=O)OC(C)(C)C)C1 1801103865 HHPGAELBKLDNJX-JTJHWIPRSA-N 478.590 0.474 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1802139635 JNRSUURPJGBWHI-CQVUMHHCSA-N 491.633 0.293 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)Cn3cnnn3)[C@H]2c2cccnc2)c(C#N)c1 1808172064 DKEKOXXXGYWVSR-JPYJTQIMSA-N 460.498 0.897 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1819425324 XJVSIWJWTNDYCY-HOTGVXAUSA-N 456.503 0.699 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1828579603 IKLOASVNCYJNAD-IQGLISFBSA-N 495.536 0.353 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ncn(C)n3)C2)C1 1828581120 ZPBBDLISTQYQDW-KBMIEXCESA-N 494.552 0.919 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829137547 JQSPVJWBYACCSB-HYBUGGRVSA-N 485.541 0.503 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829309729 JDNICFRSIYZPBS-DVECYGJZSA-N 467.526 0.878 30 20 JCED Cc1ncncc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332456 MCCVIMVWNZOQLZ-VWLOTQADSA-N 491.504 0.939 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1829755711 KDMPPIVAUZCNIN-JOCHJYFZSA-N 486.554 0.773 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)C(=O)CC4)C2)C1 1829771574 WFKVPITVINBACV-CNXHMKESSA-N 467.522 0.744 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)cc1 1829899433 ZSIGFFDMAMAUHE-RUZDIDTESA-N 479.537 0.705 30 20 JCED CCOc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cnc2c1cnn2C 1830056417 XLRNXGDBARXATJ-HSZRJFAPSA-N 470.530 0.987 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830971842 QWWUBEWVEKVIQG-NTKDMRAZSA-N 487.557 0.392 30 20 JCED COC1(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CN(C(=O)OC(C)(C)C)C1 1831213582 RJDFSYPRTJTDCJ-RUZDIDTESA-N 491.585 0.882 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831219099 RPYHENSUIBUEKP-JPYJTQIMSA-N 465.547 0.132 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(Cl)c(F)c1)CCO2 1831295289 LTLGYVFHUVIJKR-FQEVSTJZSA-N 454.838 0.402 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc(-c4ccccc4)o3)C2)C1 1831396055 HNCJQIVABUEMJU-GAJHUEQPSA-N 454.483 0.845 30 20 JCED COCCOCCOCCOCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1831732645 VTVRVCYGINUGIX-FQEVSTJZSA-N 468.547 0.390 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1831997955 IVGXOWWJLLRADG-HOIFWPIMSA-N 454.568 0.507 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1832931491 OIWDYIATHZGZCR-DLBZAZTESA-N 478.546 0.463 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c(C4CC4)c3F)CCO2)C1 1833678435 GYZFBGNUSSXRJW-JOCHJYFZSA-N 462.526 0.778 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOC)CCO2)C1 1835228188 ULKOVKYWYADFLD-HTAPYJJXSA-N 455.552 0.949 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CC1 1835681279 RGHPGVDBSCGNPC-XMMPIXPASA-N 493.605 0.593 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)Cn3cncn3)CC2)CC1 1835805329 AKAAMODHNRRCKL-XDXAGZTOSA-N 457.579 0.344 30 20 JCED Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn1 1835988319 OIFIGKPSVWAQMD-XMMPIXPASA-N 477.525 0.871 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836449576 BQGYYLRSNQCBKV-GFVLEISASA-N 472.502 0.557 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1836843804 TYPWJTYXZQJJIJ-QGZVFWFLSA-N 485.651 0.595 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837242870 MHQOMWSJHBQYGK-ICACTRECSA-N 465.547 0.855 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)on1 1837525462 WSMZJIVHJDBFNP-YITPPGKRSA-N 450.492 0.511 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1837526767 GCJYXEMVUGTXFJ-RJGDLVSHSA-N 464.475 0.092 30 20 JCED Cc1cnc2c(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)cnn2c1 1837529398 SRNJFVQMJIFMHB-SYYNNORISA-N 486.529 0.637 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837531023 BBGKGQMZFWLSQA-AKYANARJSA-N 462.503 0.684 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc(O)n4c2CCCC4)CCO3)c1 1837759145 RUYGVLCITRQJAH-QFIPXVFZSA-N 454.487 0.509 30 20 JCED Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1838079643 MRXCFZHMOIKSLF-GZQNEBGJSA-N 486.495 0.981 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncoc3C)CCO2)C1 1838209744 XOXWIUXWKPOAGL-UZUQRXQVSA-N 476.530 0.970 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838686640 BVCOQQZNTAVBOJ-WZONZLPQSA-N 475.546 0.705 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1838908646 LEZCMPZKZNBIQM-IBGZPJMESA-N 454.405 0.307 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1839204084 GOLXVYLGKGVERC-YWZLYKJASA-N 495.495 0.837 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-c4ccc(O)nn4)cc3)CCO2)C1 1839469884 MULPNEZCORODGT-AVRWGWEMSA-N 480.521 0.958 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c(C#N)c1 1839670150 SVWYWUKMLYEFEN-XMMPIXPASA-N 497.508 0.140 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840052124 SXODWIFBYWAOPV-CIICBDETSA-N 491.585 0.927 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1840162238 PWMSNFSVJMFAQQ-MEBBXXQBSA-N 480.328 0.403 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1840796891 SFOWKYYENQLNKM-QZTZHPFYSA-N 494.589 0.438 30 20 JCED O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccccc1 1840800505 SVPYRVVSITWUNA-OTUOEDBFSA-N 482.537 0.975 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820357 LPXNPXLFKMQUOC-FDDCHVKYSA-N 456.499 0.014 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1840845446 XQHLVAMLOCNMKJ-NRFANRHFSA-N 453.511 0.815 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1840906939 MDZFWVVPPXZCMJ-YCRPNKLZSA-N 479.559 0.525 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1840907521 XJVAAUNHLPXLAP-UMEGOILYSA-N 492.617 0.844 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOC)C2)C1 1840908991 KWTLNRHSXSRBGO-HTAPYJJXSA-N 453.536 0.396 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1841055212 GWNYLPNHSKXCAH-PRJTXATQSA-N 462.547 0.276 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)C2 1841055841 YKKHCUUUAKDDDZ-CBBCZIBFSA-N 476.574 0.809 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=S)NCC)C1 1845760931 VDDMYXLPQILISG-OAHLLOKOSA-N 451.593 0.590 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1nccnc1C(N)=O)C2 1847069428 NZHHITBIQYSTIC-AWEZNQCLSA-N 456.503 0.309 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1847261426 DWZAPKWUCDZXNT-PMVPKKGTSA-N 496.564 0.819 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(N)=O 1847685209 BYOGFAIGHGUFNW-QYZOEREBSA-N 484.557 0.864 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)CC2)cc1 501111681 MXWFYNLCFWKDMP-UHFFFAOYSA-N 487.582 0.252 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 501765473 YTNGDXPXXPRDSP-UHFFFAOYSA-N 456.480 0.553 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(-c2ccc3c(c2)OCCO3)c1=O 502046620 TUXFGPPOMYQQNF-UHFFFAOYSA-N 477.546 0.966 30 20 JCED CS(=O)(=O)NCC[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 514326821 JYGZVXYKPXTZIN-LJQANCHMSA-N 497.643 0.185 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(C(N)=O)cc1 523252663 VEQOGPCNSJNNJY-UHFFFAOYSA-N 469.548 0.029 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3sccc3C)c2=O)cn1 523575723 AYXQOXDGYBMDEC-UHFFFAOYSA-N 498.634 0.437 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)CC1 589797347 KVFQYUSQDQQTEE-GOSISDBHSA-N 468.491 0.895 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(=O)N(C)C 604270404 YCHKSDMYHMDLRE-UHFFFAOYSA-N 497.404 0.961 30 20 JCED CS(=O)(=O)c1ccc(C(N)=NOCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 726788644 UFVMNUDSEBDERN-MRXNPFEDSA-N 457.574 0.685 30 20 JCED Cn1c(CCC(=O)OCCn2ncc(C#N)c2N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 729806376 FESNVASJGKKHPR-UHFFFAOYSA-N 487.542 0.421 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 744994005 SAZQCRXJDHPQMM-RMKNXTFCSA-N 479.449 0.020 30 20 JCED N#CC1(NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Br)cc2)CCCCC1 771817568 ADMKNJSEZHRHNI-OAHLLOKOSA-N 488.360 0.974 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 831244165 ZGUDGNNMHYKJJM-ZIAGYGMSSA-N 451.501 0.459 30 20 JCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 856694302 QNKKQFMKSBCOJU-MRXNPFEDSA-N 472.527 0.563 30 20 JCED N#C[C@@H](C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 916995344 XLQXAWLYDCLQEN-RUVCREKUSA-N 466.406 0.820 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 918452649 SLPKJCWZLIAEIU-ITYLOYPMSA-N 487.542 0.552 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 920037483 JOSUZJUYUMMURI-UHFFFAOYSA-N 466.497 0.215 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 920346372 CTCSVEWHFXPEGY-QGZVFWFLSA-N 456.524 0.950 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CC(=O)NCC(F)F 1305123732 YKLRHAYGVAKNPY-ZIAGYGMSSA-N 461.477 0.540 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 1316533447 PZTBEOBLYSNDAN-QGZVFWFLSA-N 479.463 0.928 30 20 JCED CC(C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1609826821 SDFTXVGSNXSKDQ-MRXNPFEDSA-N 453.569 0.266 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nccn2C(F)F)C1 1620171131 TWWIYVCCMZZDLE-SJCJKPOMSA-N 474.469 0.693 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1692786581 VPCRSIBNTDQDFY-IFXJQAMLSA-N 484.579 0.923 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccc(F)cc2)n1CCNS(C)(=O)=O 1693749761 UCHAQRLVUXPRHW-INIZCTEOSA-N 499.576 0.934 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nnc2n1CCCCC2 1706871340 OGMJXYVGHZQGNV-ACJLOTCBSA-N 451.532 0.696 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CCO1 1711363796 QRPIKOXYCUYSPP-WOJBJXKFSA-N 453.547 0.615 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC(F)F)C1 1770348709 KQTOROMHVPNQTN-CQSZACIVSA-N 475.522 0.122 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC(C)=O)OC(C)=O)C1 1779405067 QXOWGBZFEMWNGL-YCRNBWNJSA-N 482.530 0.505 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1cccnn1)C2 1779428746 PSNKSVADLWMELG-PTQKAELMSA-N 461.519 0.898 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H](O)CN3)C2)c(O)n1 1780598532 IALIUANOXUZGAL-XRFWFDNBSA-N 458.559 0.756 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)C=CC2=O)C3)c(C#N)c1 1780688902 MEGRWZQWPZDRDR-CJFMBICVSA-N 480.521 0.548 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781112236 VCFMKQQSUKMOMF-FSNCLGKMSA-N 471.620 0.999 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1781167415 CAGDXFHBUMVOMW-QZTZHPFYSA-N 493.605 0.106 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1781271297 KMZNDTWEKQDQIB-XMMPIXPASA-N 456.543 0.723 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781309098 XETJHOWCAYNLTK-NLSFWIRASA-N 465.547 0.538 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)cc1 1781793874 WCCKYTAQMMYBSM-XMMPIXPASA-N 458.478 0.913 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1782263464 LHPALKHNTJDVEB-IYZQMXKPSA-N 451.483 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1782263465 LHPALKHNTJDVEB-UZQCKINESA-N 451.483 0.637 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1783157851 VOHZZLKPZAUHBG-OPAMFIHVSA-N 452.552 0.941 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)C(C)(C)S 1783166873 NUGSJPJOBILCHJ-PGKMIFDNSA-N 484.619 0.554 30 20 JCED CC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1783584084 RRVJOSPQACGWHU-CAIZAGQASA-N 452.515 0.943 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783606455 YWJNDBFRMRWCKQ-SNJCGAMXSA-N 478.553 0.551 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1783835299 FBVLDWKQHJCTCK-HRAATJIYSA-N 486.591 0.448 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1783897058 HKHBWZCBPPEJTL-BXTJHSDWSA-N 493.648 0.463 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)C(C)C)[C@H]2C1 1784192729 KGRIHECAZYTJHS-VMXHOPILSA-N 451.564 0.900 30 20 JCED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1784382031 ZUJPEWRZVXSEPX-ZJOUEHCJSA-N 465.554 0.415 30 20 JCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1784532699 DMXSJHYEMJPIEE-QUSNUVHPSA-N 459.609 0.806 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1)N1CCN(C)CC1 1785379408 BYLWWMABIDIPIU-NTKDMRAZSA-N 455.559 0.403 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785382814 FYTVYORVIAOQKV-DEOSSOPVSA-N 475.542 0.837 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)C1 1786695962 QTAJVROSGWEHLY-QTMHVTGLSA-N 476.574 0.888 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1786847006 LMVHPKXZWGVLMI-FJIDUMEYSA-N 463.579 0.902 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1788571599 OWWIEZHROGLVGI-MHEOJOEOSA-N 474.558 0.546 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1788601464 LHMBFIITXWFZBB-OQPHVDMUSA-N 464.592 0.240 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4sccn34)[C@H]2C1 1789139769 RZWFMBQIBYMONZ-ZOBUZTSGSA-N 474.539 0.859 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)C[C@@H]32)c1 1789343202 SCMGPNLXWRUERB-DFHZNHDVSA-N 466.498 0.486 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1789838691 JWEPSFYGJXEQJR-HVTWWXFQSA-N 490.601 0.942 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1789955461 KNYFMIZFUOAHBW-KARBZBNUSA-N 453.565 0.569 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790591971 LWODTBJCTINEDS-LNLFQRSKSA-N 467.482 0.491 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CNC(=O)C4)[C@H]3C2)c(C(F)(F)F)n1 1790858138 KUIUJMRSWGXCPF-VZAMPYOESA-N 465.432 0.701 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791330249 XPTHTCIVCHPGTJ-XTHUUODCSA-N 481.590 0.929 30 20 JCED O=C(CNC(=O)C(F)(F)F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(F)(F)C(F)(F)C(=O)O 1793977620 AFJXZNHZUXVUCM-RNLVFQAGSA-N 451.295 0.658 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794270117 WRTHNKGUEKQDIC-MVJTYMMSSA-N 485.541 0.300 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)ccc12 1795598422 FCWFRMPMCCLICC-OPVJXMOQSA-N 496.568 0.996 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2ccco2)ccc1F 1795847118 FMPWTHJFSYXYIH-FAQVEIGNSA-N 454.458 0.852 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F)N1CCN(C)CC1 1795999521 ODRGWRWJGCIAOH-GGXPGOJBSA-N 494.518 0.811 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(I)cnn1C 1796746400 QSJWXSIFABAKQW-GUIRCDHDSA-N 488.326 0.819 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1797815175 KZDWQIJZYAOQMC-UBMHTOFUSA-N 452.508 0.634 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)ccc1F 1800284092 UTFDROPQFILQME-FAQVEIGNSA-N 483.456 0.600 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(=O)(=O)CC)cc1 1800432228 RVNBQBGNNFHAIS-NFRAVTBUSA-N 489.594 0.471 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801979513 VPAYGHNSTOSSHQ-HXNMQBSASA-N 496.630 0.932 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)=NO2)C1 1801993264 NDHWIEPJYLVASZ-KATBDVFWSA-N 474.514 0.869 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1804186054 GTOWLWKCIOZCDT-JTOHYYCESA-N 472.502 0.168 30 20 JCED C#CCCCC(=O)N1CCC2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 1806900422 GFNKDQFSHWBUPD-UHFFFAOYSA-N 468.558 0.468 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1807025526 DDTWLOVOVURVLW-RNRNXMBVSA-N 463.431 0.524 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)c(C(F)(F)F)n1 1808261748 OCGLTLODMPCNQW-COXVUDFISA-N 461.448 0.973 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)C1 1822725488 XXJKXOSWDRUYCI-BZPMIXESSA-N 478.527 0.371 30 20 JCED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)cc1 1823490726 HPWGGHNCPJYNBO-ZDUSSCGKSA-N 475.494 0.875 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661529 VNZHZFXWHQQFRN-YPMHNXCESA-N 466.516 0.419 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CN)CC2 1828298905 KWOBMZOHZNXHDH-AYMFLGRJSA-N 464.592 0.811 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 1828806199 MLLWVRNMKKEJBQ-XMMPIXPASA-N 467.526 0.975 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(O)nc1O)CCN2C(=O)OCc1ccccc1 1829051426 ZYUOABPRDWGFNC-HSZRJFAPSA-N 465.466 0.587 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1829330575 LESRYVHKERJRJZ-CLOONOSVSA-N 496.520 0.053 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)cc1 1829905485 AHWUBFYLRMAMGJ-XMMPIXPASA-N 465.510 0.686 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1830058017 PODPZLLKFXFICQ-OFVILXPXSA-N 470.570 0.894 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831013577 RIANDKMHXZNBDR-QFIPXVFZSA-N 461.902 0.600 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3C)OCCO4)C2)C1 1831393949 SLZKKEGWXMXJSD-UUOWRZLLSA-N 458.511 0.875 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1831433573 WNYNLTWPTIECSF-RHGYRFJNSA-N 477.533 0.992 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1831498676 OPNWZYHAPRDBCG-MAUKXSAKSA-N 461.631 0.258 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1831742177 MLWWFGAIOUKITK-JOCHJYFZSA-N 453.455 0.203 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833032200 YIZKFBPCADMEKQ-VGOFRKELSA-N 465.572 0.507 30 20 JCED O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)CN1 1833122993 OPXDXZBDRXSFBZ-LJQANCHMSA-N 458.603 0.783 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)CC2)CC1 1833467311 ORJILQYKDMEFAC-XQBPLPMBSA-N 458.603 0.997 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4ccnn4)C3)C2)c(O)n1 1833700024 OCWBHECVBUOKOX-UZUQRXQVSA-N 470.530 0.829 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](COC)NC(C)=O)C3)C2)c(O)n1 1833700347 WLSDXYQSPBOSKT-YKSBVNFPSA-N 490.557 0.127 30 20 JCED O=C(O)c1cnncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100220 GYPXURRYZASGEC-QHCPKHFHSA-N 450.451 0.297 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835657864 PJFLKCVDGUPJIM-ISTTXYCBSA-N 457.575 0.251 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1835765459 KCYROWHWMVQRBE-GYBNKOMZSA-N 463.579 0.613 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835829613 BKXIAKPUGOSMGH-HRJSYZDASA-N 463.579 0.778 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4nc(C)no4)CCO3)C2)c(O)n1 1836067621 CLAVIPGXUXVTPD-HSZRJFAPSA-N 471.514 0.910 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)CN4CCNC4=N)CC3)CC2)c1 1836124115 HAQMFJMTCFZOMP-UHFFFAOYSA-N 467.574 0.592 30 20 JCED Cn1c(=O)c2c(CC(=O)NC3CCN(C4CCN(C(=O)CC#N)CC4)CC3)csc2n(C)c1=O 1836338010 NAEJAETUMDLDQG-UHFFFAOYSA-N 486.598 0.326 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1836472679 UALCIFXJQKQTAW-MRUHUIDDSA-N 475.608 0.283 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C3\C(=O)Nc4ccccc43)CCO2)C1 1837321755 VCSASCLEKABDOD-VAVFSKGYSA-N 453.495 0.517 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1ccccc1)CCO2 1837333581 AAYBOTLDVUMTMX-NOZFXVHRSA-N 456.543 0.802 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1837397651 RRKMRKRMTGGOSM-FIKGOQFSSA-N 452.577 0.042 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837443941 NIRSJCUXFVTYSB-WUKOTQDVSA-N 455.519 0.500 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837483380 NGCJKMLXWJLMMR-MZNJEOGPSA-N 482.516 0.987 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837490626 JEVADBSZNJPZQF-DEOSSOPVSA-N 471.510 0.579 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1837524970 KFRJWOPHSUIACP-QEPGBGQSSA-N 470.592 0.021 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](COC)NC(C)=O)CCO3)c(O)n1 1837727728 RVUDKBLQAFDFNK-GBXCKJPGSA-N 490.557 0.127 30 20 JCED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1837955636 YEVBVCVHMFNMLQ-REWVYZQPSA-N 462.503 0.689 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4noc(C)n4)C3)C2)c1 1838579493 MKLGQTSIKIBXFP-JOCHJYFZSA-N 455.471 0.571 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)c(Cl)c1 1838640875 BYZSWSNFZOAAQI-OAQYLSRUSA-N 457.874 0.679 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc5c4NC(=O)C5=O)C3)C2)c1 1838737506 WHKGHJRUIKDTOK-HSZRJFAPSA-N 463.450 0.405 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(C#N)c5)CCO4)C3)c(C)n2n1 1838906816 HRYDHJGOUCJTKG-XMMPIXPASA-N 475.509 0.997 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839215687 GKFIIJHDUVBIQW-MBSDFSHPSA-N 466.498 0.125 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839388246 LLXOOYVMHJUNBD-PGRDOPGGSA-N 453.536 0.480 30 20 JCED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839422462 WEDUUDQULSETRR-GHTZIAJQSA-N 451.520 0.881 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c(Cl)c1 1839423882 BLGGPQIDAPGNIJ-NRFANRHFSA-N 473.921 0.615 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1)C(F)(F)F 1839892878 DQKLTKYBMSPLGP-LJQANCHMSA-N 468.436 0.930 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Oc1ccccc1)CCO2 1839949509 KDEASKJIFAOPOT-ORLYXUQQSA-N 457.527 0.769 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1Br 1840043876 ZIJSKUCOWXLUPW-FQEVSTJZSA-N 476.283 0.479 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1840072054 SGLUGIJQPUGBNM-PDIWNELESA-N 467.563 0.779 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)CCO2 1840072949 FIUURIYBSFOEFQ-XTJBDQBJSA-N 487.553 0.791 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840162841 JJNVGDQBGGVKPR-MDOVXXIYSA-N 461.581 0.037 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1840219510 QDNQECPEUHKRME-ZEQRLZLVSA-N 492.573 0.509 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840290702 FMKDZAYKXLBRIU-UZUQRXQVSA-N 463.531 0.782 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)COc5cccnn5)CCO4)C3)c2c1 1840410178 ZIKZXDSSZCIUSV-HSZRJFAPSA-N 477.481 0.374 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@H]4NC(=O)NC4=O)C3)C2)cc1C#N 1840762640 HGNIXGQYMODJLV-KOSHJBKYSA-N 499.524 0.014 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1840845069 FHWSDQQWABBUPZ-NRFANRHFSA-N 452.504 0.713 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1 1840906571 FQZARTXHRBFBRM-SBUREZEXSA-N 475.546 0.407 30 20 JCED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)ccc1F 1845874342 WEALTBQGDKROPZ-RBUKOAKNSA-N 499.568 0.623 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CS(C)(=O)=O 1847820787 FYSLMCWCTZDHBP-QZWWFDLISA-N 455.577 0.786 30 20 JCED COc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)cc1S(=O)(=O)N1CCCCC1 11263032 JWVFHXATLAXILN-UHFFFAOYSA-N 461.500 0.241 30 20 JCED Cn1c(N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c(C#N)c(=O)n(C)c1=O 30763409 FYWYMBPAFNLNSK-UHFFFAOYSA-N 453.890 0.482 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(Cl)c(F)c2)c1=O 524282000 LBFPGXYZEJKOEQ-UHFFFAOYSA-N 498.989 0.377 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 590897433 SRCBUXLMQZUEOX-UHFFFAOYSA-N 473.938 0.882 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 608828186 JCEAYMOSZZKSMV-RDTXWAMCSA-N 492.557 0.980 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cccs3)c2=O)cn1 608884035 QCUVGCROERALEH-UHFFFAOYSA-N 497.602 0.316 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cc1F 729673068 SBZJHIJSCUJOHU-UHFFFAOYSA-N 467.544 0.130 30 20 JCED COCCN1C(=O)/C(=C\Nc2sc(C(=O)OC)c(CC(=O)OC)c2C#N)C(=O)NC1=S 730971546 WCOFOURYELJBJO-FLIBITNWSA-N 466.497 0.307 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cn2ccc(C(F)(F)F)n2)CC1 749266276 WCQXBNYHCLINJN-UHFFFAOYSA-N 485.444 0.850 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 769217222 WHJUWOAMUVQUPF-UHFFFAOYSA-N 460.487 0.868 30 20 JCED COc1ccc(N2CCN(C(=O)C(C#N)=c3sc(=Cc4cnn(C)c4)c(=O)n3C3CC3)CC2)cc1 839379235 OTRLUTOXUQTSSL-UHFFFAOYSA-N 490.589 0.839 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2ccco2)c1 918254058 GLGWPNLZBYEQLW-JJIBRWJFSA-N 461.500 0.577 30 20 JCED CC(C)CS(=O)(=O)CCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919274734 SKZPPPYYCOZIBK-UHFFFAOYSA-N 485.584 0.395 30 20 JCED COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1290806985 VVGZLSBRVJIJBO-SFHVURJKSA-N 459.890 0.923 30 20 JCED COCC1(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCC1 1301117045 YYMYXUGRCQJTIP-IAGOWNOFSA-N 468.580 0.547 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(N(C)C)CCC1 1303861574 GUPFGBIMCLHEPH-WBVHZDCISA-N 450.613 0.549 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1316089352 FKSNPROEPSORFV-DENIHFKCSA-N 475.571 0.856 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)CC1 1501780794 PRLHHBMSHXERFF-UHFFFAOYSA-N 452.563 0.943 30 20 JCED CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)c1=O 1515784397 BBMZBJKIWRBGBW-CRAIPNDOSA-N 474.591 0.295 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1517627439 MVGRLCUYFJMGTR-GOSISDBHSA-N 487.586 0.869 30 20 JCED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 1618465865 IMXFGBPMZMQALC-GHTZIAJQSA-N 460.560 0.419 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1618815439 MBCYUDJUEJJTKF-SFHVURJKSA-N 487.586 0.869 30 20 JCED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cc1O 1711836118 FTEBXTGKMQUMIA-RHSMWYFYSA-N 475.575 0.827 30 20 JCED CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1729207802 WATNCNORFOBWDI-HNNXBMFYSA-N 474.609 0.176 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)C1 1741984455 RJIFGZFDRZKDPA-CRAIPNDOSA-N 456.594 0.346 30 20 JCED CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1746464594 VYQHGYDIJKYEIO-LJQANCHMSA-N 466.590 0.939 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2 1777963405 LAKOMQRAEIFMOW-WJONJSRFSA-N 452.552 0.936 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)CC1 1778113749 AOMQVMHTMMJGIT-DEOSSOPVSA-N 488.610 0.992 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778791602 IEIKKNQRBUXEOW-QKCPIRFBSA-N 496.561 0.350 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)CCO2)C1 1778969902 BOKIJTZPNDDLRA-SAHWJRBASA-N 469.579 0.929 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1778980053 QLRFHFDDOPRNPM-UZUQRXQVSA-N 469.579 0.931 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1779319957 SWYHQKPUHXXOJJ-HYBUGGRVSA-N 472.542 0.940 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CNC2=O)C3)c1Cl 1780097512 QWLMABWJYAGIKJ-OPAMFIHVSA-N 473.917 0.891 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781169407 OICFMCLUFMCALW-JPYJTQIMSA-N 474.562 0.805 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)CCO2 1783051707 KXWFWDBRANURQT-MZNJEOGPSA-N 473.526 0.997 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565789 QFLNEWVYRLNNKQ-VGSWGCGISA-N 481.427 0.069 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C[C@@H]21 1784479497 DKLMUKUWFPNBHX-LGYWMIHWSA-N 462.568 0.651 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1785592905 LAUZTPNITYKONK-SNINSWTHSA-N 464.519 0.394 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CN5CCCC5=O)C[C@@H]43)c2c1 1790327761 CYEGPPFNRMSZCZ-IEZWGBDMSA-N 450.499 0.650 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(=O)n6[nH]cnc6n5)C[C@@H]43)c2c1 1790328139 OMERJMAJBPVIAA-YEWWUXTCSA-N 487.480 0.073 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(=O)OC)CC3)[C@H]2C1 1790889383 JHLHKRLEDRVQLN-XSLAGTTESA-N 477.558 0.836 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1792255323 HOTNOUVLFMFKKU-FKSLSLAPSA-N 499.630 0.563 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1792257615 HIWSRLGVITYNNI-JONQDZQNSA-N 490.517 0.828 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792877324 MRZAWNZEIITRQR-BQVFVJDASA-N 468.554 0.662 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1793348028 WXGHBDVPAOGMAC-BMFAXAFESA-N 490.557 0.380 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420523 DVCFPQFTMLKKTK-KMWNMMNJSA-N 450.536 0.640 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@H](NC)C(=O)O)N(C(=O)OC(C)(C)C)C1 1795644719 RDYNKHJHBPJZCE-OREBXVKISA-N 480.562 0.204 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@H]1Cc2ccccc2CN1 1796371809 AIUDTUINBDFSKH-JTOYRKQZSA-N 451.567 0.989 30 20 JCED COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cn1 1797811439 NQRXFLRCCRWGLS-PXLRATQFSA-N 460.487 0.600 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O 1800536592 AJHGBHOCKRXUEM-JFMONLCZSA-N 450.536 0.017 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1C[C@H]3C[C@@H]3C1)C2 1802125816 VTXPKBQPDLOTEV-KKNSKQTASA-N 474.602 0.833 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)[C@@H]1c1cccnc1 1802487290 HCRMICCRESKMQQ-GONSDRGXSA-N 468.602 0.582 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]3c3cccnc3)c2c1 1807026118 QMMBFXDXBGOQEL-KKSFZXQISA-N 497.452 0.874 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1807688285 XERDIVHVVUECAM-NTLWEQJWSA-N 486.525 0.546 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)COCCOCCOCCOC)[C@@H]1c1cccnc1 1812938609 FPWYFBRBJMYLFG-BKULYWANSA-N 491.585 0.822 30 20 JCED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3CCS(=O)(=O)CC3)[nH]n2)c1 1820304423 FBQFFMZYZPDROO-QGZVFWFLSA-N 459.532 0.646 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)NCCC#N)CC1 1826897151 IWVVYBMPPFEBNU-QZTJIDSGSA-N 451.568 0.952 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1828581037 XHGMEFYFETWEOC-IFXCNKOCSA-N 498.580 0.200 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1)N1CCN(C)CC1 1829212442 LDFUPEVJMVECJM-RLWLMLJZSA-N 496.612 0.988 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1829355898 CZTOAKUQCJKCFE-QHCPKHFHSA-N 453.499 0.891 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1829464780 JUNSNPZJUQWCSG-DEOSSOPVSA-N 465.510 0.728 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1830416564 VRECLYGWMLCLQS-WMLDXEAASA-N 458.523 0.847 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1830425038 AFJUKBIDDCDJIU-SANMLTNESA-N 481.549 0.637 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c1 1830460546 QDDNZNPZBSSMNY-JOCHJYFZSA-N 468.470 0.892 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3OC)C2)C1 1831386331 QWTGMTWXJUAFCL-BTYIYWSLSA-N 451.907 0.852 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2)NC(=O)OC(C)(C)C 1831614173 GCBYIHPHOATUJW-GGUMNFRJSA-N 496.605 0.814 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)N4CCOCC4)CC3)CC2)cc1 1833041969 SWCSJKSWRUKVRI-SANMLTNESA-N 483.613 0.713 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1833470320 OOAFCMRGSYNRHI-NRFANRHFSA-N 452.596 0.692 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565486 MMCPNOLDBNYQEV-FQEVSTJZSA-N 487.525 0.908 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833599715 RBHZQGAPISYHQU-KKSFZXQISA-N 482.559 0.356 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CN4CCNC4=N)CC3)CC2)c1 1834706576 YRXUSOWOIGNGJO-UHFFFAOYSA-N 467.574 0.592 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835345079 BJTDNTSORNBPTP-MWTRTKDXSA-N 458.490 0.704 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642054 GXDVVDLIWYMTRA-PNCHPQGNSA-N 468.595 0.897 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836174521 HZZLPTKXTGDHFD-MBSDFSHPSA-N 475.546 0.256 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380716 CJCMXFJWEPAAMD-JTSKRJEESA-N 496.586 0.497 30 20 JCED O=C1Cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)ccc2N1 1836789595 MHTNHLGXSZRGGI-FYWXSZBBSA-N 469.542 0.723 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc6nncn6c5)CCO4)C3)c2c1 1837019788 NEFOIONAADUKFR-XMMPIXPASA-N 486.492 0.861 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837528660 MKSKBUXHKIDFIB-SIIIQLRKSA-N 472.502 0.557 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837530877 SFLMMEXRICESIX-UWJGKTOOSA-N 490.492 0.467 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1837531006 WBTNHKIAPBNEFG-BJOHDULPSA-N 451.545 0.847 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1839130633 KHYUYXJSPBZUTB-PMAPCBKXSA-N 467.563 0.520 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1839175023 JYHLYYHOOXCNNP-XMMPIXPASA-N 471.510 0.509 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1839176296 GWIBROZPJNQIEZ-JOCHJYFZSA-N 469.535 0.477 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#Cc5ccccc5)C4)C3)cc2C1 1839621779 QRNJMBUUIFQTBJ-AREMUKBSSA-N 477.565 0.840 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc4[nH]ccc4c3)CCO2)C1 1840079924 FKNJKCXQGSAQLJ-HOYKHHGWSA-N 454.527 0.990 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c(O)n1 1840408808 XIXBLZFJQQZXBQ-DEOSSOPVSA-N 483.525 0.845 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840606471 JORXEVLFMBTNOP-FJPNIYADSA-N 479.574 0.805 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C(=O)N(C)C)c3)CCO2)C1 1840787946 YPPOYPOTVXPFQQ-HOYKHHGWSA-N 457.527 0.497 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4I)C3)C2)CCC1 1840814390 GUADHQYURIFMAN-SFHVURJKSA-N 499.309 0.778 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818393 ADFSJYRLCRAEDP-HTAPYJJXSA-N 479.555 0.074 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1840819470 MLFFRSJPIFDRMB-XMMPIXPASA-N 476.493 0.750 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840905295 GDACRBMBAZQUJB-CYFREDJKSA-N 474.558 0.982 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)no3)C2)C1 1840907048 OBLJKUFXRBCYED-UZUQRXQVSA-N 476.530 0.970 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1 1840913149 ZUYXEGBTCNHTAY-UOKFIYJESA-N 489.573 0.960 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1840913974 RWJCQMDWOQPYNI-MCJPXMOYSA-N 479.574 0.949 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)cc(C(F)(F)F)c1 1840921111 DDIXBSDXNDXPKG-IBGZPJMESA-N 469.420 0.315 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCN1C(=O)C=CC1=O)C2 1847070903 YWBWKFZYADSJNU-INIZCTEOSA-N 458.515 0.422 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1847123878 HZYDIQGPNPUHIC-UHFFFAOYSA-N 492.573 0.779 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(CCc2ccccc2)c1=O 502047202 FMSVBUGXYZMQCR-LJQANCHMSA-N 463.563 0.684 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 503264551 KFLUXSNJSYNVCB-UHFFFAOYSA-N 469.479 0.361 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 507930269 WUMDNLMKOVQBNN-MSOLQXFVSA-N 489.554 0.637 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 523080111 ANXYTNYARQWXBM-UHFFFAOYSA-N 477.608 0.625 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 523743821 QALVDDYGAYKUBF-UHFFFAOYSA-N 455.536 0.858 30 20 JCED CCN(CC)CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 553563244 JLBMJTHEZDDZJR-QGZVFWFLSA-N 456.590 0.194 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 604514707 PDBSFCONWIFKJY-UHFFFAOYSA-N 456.524 0.952 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3cccc(C#N)c3)c2)CC1 746542405 PEWLZOHWSJFTRQ-UHFFFAOYSA-N 484.534 0.884 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)CC1 749031770 ATENDKBEIPAKDY-UHFFFAOYSA-N 481.494 0.224 30 20 JCED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O 750962806 SBZYFYCZJFXICO-HSZRJFAPSA-N 499.524 0.997 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 769212637 NZJYUUZYMQZPHL-SFHVURJKSA-N 497.595 0.728 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)NCc1ccccc1 917177328 USFPMHSOBVUUTI-UHFFFAOYSA-N 464.569 0.741 30 20 JCED C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918259955 KHIOPQJNETYPSR-SAZKUCFMSA-N 451.549 0.275 30 20 JCED CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918301154 ITDWCJOGNUJUQZ-PTGBLXJZSA-N 463.560 0.765 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(CCN3CCCC3)CC2)c1 918305814 RJKISPGHUPOAQN-DAFNUICNSA-N 490.630 0.678 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)c1 927575197 PUVAWGZMTRDSHY-NVXWUHKLSA-N 450.513 0.945 30 20 JCED C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1360623300 QUJWHDRTACLMQU-CQSZACIVSA-N 455.562 0.643 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1504528365 KNMVNRDVJXAQQO-IFMALSPDSA-N 497.600 0.990 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1505142443 MEAHGJRKXDWTKI-OAQYLSRUSA-N 460.560 0.734 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CCO1 1508387286 YIGLRVMAYNQZFW-QHCPKHFHSA-N 497.600 0.917 30 20 JCED C[C@](O)(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1510236617 TZRXODOHVLOGRU-KNKQGSTJSA-N 490.586 0.638 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1557523969 QCHDBIJVMUYOLO-GZBFAFLISA-N 451.501 0.457 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1619913086 UIRXYOOELLZFPX-INIZCTEOSA-N 473.621 0.904 30 20 JCED C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@H](C)O1 1620320333 YUFQAUJRKVFRHO-CALCHBBNSA-N 461.592 0.911 30 20 JCED Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)n[nH]1 1693364853 LNMIPLURVKYJKI-UHFFFAOYSA-N 455.548 0.958 30 20 JCED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C1 1696878406 PYMIGLGNCRAELZ-HSZRJFAPSA-N 455.563 0.564 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCOC(C)(C)C2)CC1 1724010585 QVZFNPPLGMDZNS-SFHVURJKSA-N 495.650 0.852 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1729680340 MHVYWPNDBRZSNY-MSOLQXFVSA-N 458.544 0.735 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1760695872 NRHVCZHGCKHBGH-HZPDHXFCSA-N 457.626 0.256 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COC)CCO2)C1 1778920879 GKUBFWAUJRLINO-ZHRRBRCNSA-N 484.550 0.268 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778960150 STWYNXURHRSSEQ-HPCCJCSGSA-N 493.605 0.993 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)NCc1ccco1 1779103523 WLCZSUVNPWCLPR-FTUUIQLDSA-N 474.514 0.811 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781323242 UTGHVXWBGMBLOI-URZJWIJPSA-N 453.536 0.295 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(C)C 1781387634 XCNNIDKKTKDVEJ-XFAGBWLFSA-N 489.573 0.492 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782197839 DURQAJKENAZYKS-FGZHOGPDSA-N 455.471 0.494 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1782935312 JZQMHTBRHZYZDF-JHQQDIAJSA-N 498.552 0.980 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C)nc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c3ccc(Cl)cc3)C[C@@H]21)c1cc(=O)n2[nH]nnc2n1 1787266430 RHFKQBNEGPPSCK-ZVZYQTTQSA-N 481.900 0.111 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4n3)C[C@@H]21 1788660550 XBDBTIDSZFZSQZ-HNBMCMEPSA-N 456.503 0.852 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCNC5=O)C[C@@H]32)c1 1790270123 GBGMOJCLGMPZBW-MDKPJZGXSA-N 462.510 0.714 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)n4cncn4)[C@H]3C2)c(C#N)c1 1791612897 JLXGKMORAIIEER-OQRYQMPQSA-N 452.515 0.942 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)C[C@@H]32)cc1C#N 1792056815 AMCJBUAEHHDENL-QRFRQXIXSA-N 483.525 0.491 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)[C@@H](C)O3)C2 1792489733 NGQMITUXDFBHSN-XPNJMWEZSA-N 468.510 0.468 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C2 1792564654 ULUXRDDWUGMVKB-LYBSBZHASA-N 452.577 0.155 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)N(C(=O)OC(C)(C)C)C1 1793165430 GBUNPDTWDHUNCO-ZMMAXQRCSA-N 478.546 0.594 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)[C@H](O)C1 1793257589 MHZHJHAFSWMZDM-TWHPPBISSA-N 461.559 0.607 30 20 JCED Cc1nn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)nc2s1 1793663203 RXCRLRGQDNJIOI-YAWJIXFRSA-N 476.559 0.760 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccnc2C(N)=O)C3)c(O)n1 1794488969 ZNTOVPINVAAKTB-CCWDJLKJSA-N 465.510 0.917 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)[C@H]2OCC[C@H]21 1795083751 JUOPOIFQUABANP-ZHRPLEGYSA-N 462.547 0.904 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1797703930 HXRVGZCPBHHQDJ-MMIASXOFSA-N 473.570 0.329 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797739831 HVSGOEUFVNVSDI-SQIXJKHYSA-N 485.585 0.227 30 20 JCED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)C(=O)OC(C)(C)C 1797812006 WWXBUZVPXVMPDS-NKFKEYGXSA-N 468.551 0.972 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C)C2 1797949491 PYWHETRHCBIZST-YJDCLEDVSA-N 476.574 0.736 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798500254 RVYNQEYZRDZIEM-VTQQKYQQSA-N 460.535 0.624 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CN)C2 1799233422 ZRCVTMJITYTWHK-UJWQCDCRSA-N 450.580 0.868 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1)N1CCN(C)CC1 1799326090 JWOCFHSBARDQHJ-GJPCKUABSA-N 457.550 0.465 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCSC 1801032479 WALNYDJMXGATQH-MDMSPXHWSA-N 469.604 0.607 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)[C@H]1c1cccnc1 1802480264 FNHUAVNNJSFZSS-FCLDNMBWSA-N 484.582 0.748 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c1 1804185292 BTYJXAAQRRKJNX-VGOFRKELSA-N 476.493 0.833 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1807022251 OMHLYPFHQRZIMM-UGKGYDQZSA-N 456.439 0.864 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)c1 1807025597 JGOFJDGZQWCENF-QUCCMNQESA-N 457.427 0.998 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807354276 SEPZCQNLBVTUAN-VQIMIIECSA-N 477.529 0.414 30 20 JCED Cn1ncc(Br)c1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808927200 OBQPMEMXDGGHAZ-GUYCJALGSA-N 460.288 0.985 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810292543 XXPHODCJZHATEF-YAEQORRDSA-N 460.535 0.624 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810331878 OZEYVOMFWZEJFQ-NTKDMRAZSA-N 464.522 0.711 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1812340161 WQCNGWSBEDSROJ-YUVPUZHMSA-N 450.499 0.203 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1824108207 CVFZCRRXAQFBSD-IRXDYDNUSA-N 451.520 0.580 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCN2C(=O)OCc1ccccc1 1828495378 GGYXZDPUVIWWMH-YKSBVNFPSA-N 454.527 0.986 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1 1828579900 JOWFAQSPABVBBS-UQBPGWFLSA-N 484.553 0.613 30 20 JCED Cn1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CC#N)C3)C2)n1 1828669383 HMQBHQVXFNPOPR-JOCHJYFZSA-N 451.487 0.794 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829471820 ORRPTMNNLNTKFF-UUOWRZLLSA-N 485.541 0.145 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1829771894 ZUEWKDHBARIMOR-LJBSOROUSA-N 476.461 0.662 30 20 JCED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)c(=O)[nH]c1C 1829900414 CMIQVIPNXHMQOS-XMMPIXPASA-N 465.510 0.571 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1831406770 DWJJDURMYHOCNS-DVECYGJZSA-N 498.621 0.668 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1831485234 SERIDOHHWKQAFL-NQIIRXRSSA-N 450.561 0.222 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1831998464 NESXZVYFRZBRNX-UUOWRZLLSA-N 489.573 0.945 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC(=O)N5CCCC5)CCO4)C3)c2c1 1832424947 UVENZGVWRJGSGY-RUZDIDTESA-N 494.552 0.907 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)cc1 1833040119 XANMDBORCMBKKF-OAQYLSRUSA-N 480.569 0.661 30 20 JCED CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1833454175 GNVZOLAJKNEREO-UHFFFAOYSA-N 476.599 0.943 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1833468821 OWHBFXKCWXPJKG-HNNXBMFYSA-N 466.629 0.457 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834380568 AGLJBYKRUBWRRN-JPYJTQIMSA-N 477.562 0.809 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CN4CCNC4=N)CC3)CC2)c(C#N)c1 1834706315 UGBRCULESYGZEW-UHFFFAOYSA-N 481.601 0.521 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834773833 CKRUEICJFQZZES-JGOZPJNCSA-N 453.492 0.091 30 20 JCED O=C(Cn1cnnn1)NC1CCN(C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1834875643 ZVCWFRLAIAERLR-ONEGZZNKSA-N 457.560 0.745 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)C1CC1 1835077852 IJWYJJLSWNLLBW-NRFANRHFSA-N 476.574 0.949 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835516430 NAXXUHHZIWUSQT-UHFFFAOYSA-N 498.632 0.484 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)CC1 1835682233 CRZUDJFMRZEGPR-NRFANRHFSA-N 450.536 0.068 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836098491 RQYGVZLBYDUBOV-HXUWFJFHSA-N 482.585 0.848 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCC(N3CCC(NC(=O)c4cc(C#N)c[nH]4)CC3)CC2)no1 1836169334 MIVUAFNINPUUOK-UHFFFAOYSA-N 467.530 0.798 30 20 JCED C=CCC(=O)N1CCC(N2CCC(NC(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 1836337767 KOOHRBAWGGOJFV-UHFFFAOYSA-N 487.626 0.989 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837108236 VGLZEQJLJWMLNF-UZQCKINESA-N 453.499 0.263 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1)n1cnnn1 1837432708 MOODYUXYDHJLCT-RXVVDRJESA-N 462.627 0.742 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837489001 WSBUTDPQKTWDNW-QHCPKHFHSA-N 476.505 0.551 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837491738 XAKBQQMENKFXOH-XMMPIXPASA-N 467.526 0.498 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533211 LGGQSKRIINRKBP-HNAWTQNHSA-N 477.562 0.565 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)c1 1838584833 ITKUTYPIZGQODY-WMZHIEFXSA-N 456.499 0.258 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)c1 1838908138 JLJXCZLFERRPPC-QHCPKHFHSA-N 451.483 0.757 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1839130702 OROPPEMYIIOUFJ-KOSHJBKYSA-N 494.589 0.276 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)c(C#N)c1 1839132939 UOEDQYQJMGRBNK-JOCHJYFZSA-N 455.471 0.308 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)cco4)C3)C2)ccc1F 1839186248 IKTLFKASXPCXFB-QHCPKHFHSA-N 455.442 0.963 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839223281 RGAWHUWKXZDNQG-VGSWGCGISA-N 463.535 0.392 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839381343 OEBPVHGCZLNEBO-DEOSSOPVSA-N 483.525 0.847 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485891 AXVGBPVSYDMCCJ-QRQCRPRQSA-N 489.554 0.185 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O1)CCO2 1840016477 GICNCOMYKFKGBQ-NCPOAKPFSA-N 499.630 0.786 30 20 JCED C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1840028824 KNDYHAKMDSLTON-PZPWOCDFSA-N 475.608 0.425 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC(=O)Nc3ccccc3)C2)C1 1840039798 HWZKJZXDFOSVEV-HSZRJFAPSA-N 457.483 0.340 30 20 JCED Cc1cc(CCCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c([N+](=O)[O-])cc1F 1840040079 NIZZOPDOUNFDHY-QHCPKHFHSA-N 491.472 0.909 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(C(F)(F)F)cn34)C2)C1 1840042364 QJCYEIRPJIQCCB-HXUWFJFHSA-N 480.399 0.511 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1840176897 XNDXYXJKDXPWSF-HSZRJFAPSA-N 493.582 0.354 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219263 GHLOVVDMXJDERO-BJKOFHAPSA-N 479.574 0.618 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1840293996 HAOAHQJUKOESLZ-HSZRJFAPSA-N 453.499 0.353 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(N5CCOCC5)cn4)C3)C2)CCC1 1840813210 MQLCKNXWJHAHGC-XMMPIXPASA-N 469.542 0.682 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840842710 XGGCQQRXHFLBHC-PNTFMKQHSA-N 493.601 0.864 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840843444 QADHJMRGNFLIGY-JTSKRJEESA-N 453.536 0.132 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccc1)CCO2 1840902148 GREYJVURTUMFKW-UQBPGWFLSA-N 487.553 0.771 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1 1840908796 HDDCNSXJTJWGKE-KOSHJBKYSA-N 480.606 0.748 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1841601242 IKNSHSAZURULSM-MRXNPFEDSA-N 483.550 0.520 30 20 JCED CC(=O)NCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 515009706 WDPMVADGWKDKQZ-UHFFFAOYSA-N 462.553 0.890 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccn3)c2=O)o1 523181988 PNSXTBHJAZENEM-UHFFFAOYSA-N 450.520 0.811 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccccc1 603788727 WCAMHPLMLJKVEF-UHFFFAOYSA-N 478.549 0.990 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828364 REHQDFZSMRHACZ-UHFFFAOYSA-N 488.525 0.590 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(C(N)=O)cc1 608828482 WWMSSDOBZJCWSS-ZDUSSCGKSA-N 498.511 0.930 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OCCO2 619538749 PZOQKNCDVJMIFP-UHFFFAOYSA-N 476.514 0.427 30 20 JCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC(F)(F)F)C1=O 726404188 SSTVMGJZQQLZQQ-GWKQSCENSA-N 482.506 0.849 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCOCC1 1288525462 OFMZSWXYGVUDDY-IAGOWNOFSA-N 469.612 0.460 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1314011435 SQQAHYFFKGHTGE-QGZVFWFLSA-N 461.548 0.335 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359084981 XVDIKSZGWMDREU-ILXRZTDVSA-N 494.412 0.760 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1360299453 XXZMRAVDNOWEDL-UHFFFAOYSA-N 459.576 0.508 30 20 JCED N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1505325253 QSJYBFGRRYEHRO-HNNXBMFYSA-N 465.507 0.665 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1 1509952926 JZTDTJYBXYAQTM-NVXWUHKLSA-N 450.569 0.716 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1nnc2n1CCC2 1541911500 RIXFMZGPVFBEHH-CQSZACIVSA-N 455.548 0.982 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1547769155 SOQYITOTJVDKLP-QHCPKHFHSA-N 469.546 0.138 30 20 JCED C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)N(C)C1CC1 1692732033 XVZKNTIYBMZCDE-MAUKXSAKSA-N 451.597 0.834 30 20 JCED C[C@H](CN1CCCCC1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1692737253 ROUIZYOYWADXCP-GUDVDZBRSA-N 481.623 0.462 30 20 JCED CN(C)C(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1696587535 OPQQMYLPNNGCFM-HNAYVOBHSA-N 453.569 0.219 30 20 JCED CS(=O)(=O)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1698302503 LRIVMBOEMYOSCU-GOSISDBHSA-N 458.544 0.836 30 20 JCED COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)OC 1749344472 LEXHFCCUARXZNY-HKUYNNGSSA-N 455.519 0.946 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CCO1 1767727360 QVGCOBMERGZTIB-GOSISDBHSA-N 488.570 0.647 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778275968 MGFIXEAYPHOMGL-KJWPAHLWSA-N 455.555 0.756 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1778788450 ZLNYXFSSWOJUNL-DENIHFKCSA-N 460.487 0.004 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1778973852 NTDHOVRHGDZWSP-REYXVDKWSA-N 481.590 0.760 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c1 1780089428 YZFDJDUMUGIYFP-PMAPCBKXSA-N 469.498 0.292 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780338799 BGVLPEUMCBNZKO-GAJHUEQPSA-N 489.529 0.786 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C2)C1 1780912652 DYHCNKLOXJBDQY-BXKMTCNYSA-N 482.541 0.185 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)Cn2cncn2)CCO3)c(C#N)c1 1781174006 ZABNQTUNHJVTKW-GAJHUEQPSA-N 452.515 0.867 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1781271486 UVEUDYHEHUPJJB-NRFANRHFSA-N 462.459 0.096 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781339292 BUDBAGUAMMZNRQ-JLHGSKIFSA-N 470.567 0.893 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010310 MLYPVHHYPKUFPO-WJONJSRFSA-N 467.519 0.128 30 20 JCED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1782184805 GLZHJICVNJIAKS-DZKLMBRESA-N 494.639 0.673 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783633016 ADDFSCBIZNXMPS-NQFGCGTESA-N 490.601 0.962 30 20 JCED CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783801117 BWMGMOIGJAALOC-KSFYIVLOSA-N 451.520 0.701 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4nc(N)n[nH]4)C[C@@H]32)c1 1783913487 QBIVRJNDQIUMLL-FHWLQOOXSA-N 451.531 0.804 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21 1784446527 VPGSCVGIGKUHGP-LQJIQPLVSA-N 462.572 0.788 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C[C@@H]21 1784483367 TWYWFNADJBHKCA-BCYZHJNNSA-N 495.573 0.461 30 20 JCED O=C(CNC(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1785336315 OLEITGWKKUKCLV-ALNZPZHCSA-N 478.571 0.987 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1785575064 XSZWFBMUKIFXKN-YADARESESA-N 478.590 0.455 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1785594534 UCBIZZVERKNDPF-UJUVCNOISA-N 460.535 0.728 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCN(C(C)=O)CC4)C[C@@H]32)c(O)n1 1785773590 RWAVIIGOSAKOHW-VJBMBRPKSA-N 499.612 0.663 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786362078 JAQLLHBSOHZBHU-PXKTXHHESA-N 470.592 0.542 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCCS4(=O)=O)C[C@@H]32)c1 1789259985 PAAXZUKZKHUEQD-MVJPYGJCSA-N 461.540 0.737 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790861866 PQKXWWHNMAEVIB-NKUMXGNESA-N 476.574 0.572 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C[C@@H]21 1791259057 MOWDNBGQONPMHU-XAJHFOFHSA-N 457.593 0.920 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21)c1ccc(O)cc1 1791331461 YCBQPIJEKHCFOI-FQFSJJOFSA-N 471.554 0.932 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1793599867 HYXWXJJAHYUQHQ-RPXQCPFCSA-N 483.562 0.661 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)c2C1 1795081519 HGPWSQJIOXSBCG-JLVBRIDZSA-N 458.519 0.751 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOC1=O 1797164376 KTWLUDDIASEJMG-ZMMAXQRCSA-N 480.562 0.888 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC=O)C2 1798357908 HZWZNEVVMWZLIC-IECFSIQFSA-N 495.577 0.565 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1799306128 MAWLMTJECVWCDS-CCWDJLKJSA-N 474.539 0.838 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1799320974 XHHXXZHGEDYAFO-IPLXSBJHSA-N 478.590 0.962 30 20 JCED COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1799383246 SOPXRIHTGRMQLX-ACHVPNTGSA-N 489.569 0.848 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(N)=O)CC1 1800517568 YGFSPXLZQLYAHP-HGKCTWBKSA-N 477.562 0.382 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2)c1ccc(O)cc1 1801055214 JKVDLZODZYDVIG-SUQDKLLUSA-N 452.515 0.727 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)NCC)C2 1802125665 MUCUBMFLUCDLKU-JCECYMMASA-N 479.578 0.200 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@H]1c1cccnc1 1802498620 OQTKYSZSHFJBFH-OHLRXGENSA-N 467.448 0.624 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)Cc2cn3c(nc2=O)SCC3)[C@@H]1c1cccnc1 1807368963 WQCXVHUIUIBSRU-YWZLYKJASA-N 467.507 0.081 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810566210 QFSZLRKJPOVWCA-ODKSBWHBSA-N 455.515 0.951 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1814065055 DYGYMRJMDUGGSU-DFBJGRDBSA-N 473.489 0.963 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829335074 TVCBRNBTIFYBEI-OPAMFIHVSA-N 459.524 0.845 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1829766364 VAIWHGFEWJVEIJ-XLQQFJOYSA-N 482.541 0.275 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COC3(CCN(C(=O)OC(C)(C)C)CC3)C1)CCO2 1829847502 LXFWZNZOLMPWHX-UQBPGWFLSA-N 491.585 0.882 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830053605 ZPGRPWFHRKHXJB-UZUQRXQVSA-N 480.562 0.628 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830586539 SRXPYPUZCSQPGS-FBFJCBDHSA-N 493.601 0.911 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1831387373 GQJCPAKBEVGKMU-VGSWGCGISA-N 464.540 0.198 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1831999718 ALHLHMFEDBRBJD-MBSDFSHPSA-N 477.562 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cnc1Cl)CCO2 1834552557 IXUPNPVSVSQENW-QATSOJGNSA-N 462.934 0.972 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)c1ccccc1F 1835358502 DIXPCEWPWQVQFY-PKTZIBPZSA-N 460.506 0.937 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677185 AADBFYIIHXTXAG-JTSKRJEESA-N 459.551 0.015 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1)n1cnnn1 1837432704 MOODYUXYDHJLCT-GHTZIAJQSA-N 462.627 0.742 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837481955 NVSDMQNPPPNIKA-YADARESESA-N 471.558 0.432 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)no1 1837529439 UPWDBRJHGREDJN-FKTOORKZSA-N 493.517 0.297 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838568307 BZNMRAWBQBVIDW-UUOWRZLLSA-N 491.541 0.707 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)c1 1838580474 FABLCPICECXIRY-XMMPIXPASA-N 479.493 0.445 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1 1839420623 UPRKDSMITGOFKF-NRFANRHFSA-N 457.418 0.282 30 20 JCED CS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839423751 UJLDOABMMFCIOW-LJQANCHMSA-N 455.920 0.326 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839550085 XVVUEAHAGSBDBJ-KSEXMQBYSA-N 453.499 0.263 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1839664039 XUJBSZVQNBRTFQ-HSZRJFAPSA-N 474.634 0.751 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840165073 NAAKIYHGIPDDOU-CKJXQJPGSA-N 455.577 0.678 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1840220156 AHVKPMAYIINDDO-VAXXYWNWSA-N 482.541 0.593 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)cc1C#N 1840763179 NFPCEEPYGVNLBL-HSZRJFAPSA-N 468.514 0.707 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1F 1840771628 ILYOZXALRXQLDY-QFIPXVFZSA-N 464.515 0.713 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(I)c(O)c1)CCO2 1840784410 RDRJTFFDVVHVBY-GOSISDBHSA-N 470.263 0.700 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1)NC(=O)OC(C)(C)C 1840795551 NYNYONZYMZJFTE-SBUREZEXSA-N 482.578 0.391 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840882784 NAQNXLJSSUXHQC-NTKDMRAZSA-N 493.557 0.313 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840901264 CJZOHVPHSIMDLX-ZBLYBZFDSA-N 497.592 0.960 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 26069860 GAINICWXXANERJ-UHFFFAOYSA-N 492.535 0.653 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)cc1C 517990609 IWSFRDLBFDAPIJ-UHFFFAOYSA-N 482.606 0.855 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828882 PUOXBOLLNGCHHT-UHFFFAOYSA-N 486.600 0.472 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 728534954 SYCXTZJXRONEDN-UHFFFAOYSA-N 468.526 0.259 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O 730028902 LHTRPLFRFNIDCE-HXOBKFHXSA-N 454.483 0.561 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F 914462962 JBUOIKMUQFHQGM-AWEZNQCLSA-N 461.537 0.055 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 914819896 YCPDQBIKJPYUFS-UHFFFAOYSA-N 483.573 0.753 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(Cc2ccsc2)CC1 918872396 LKAUHHNKQPDUBF-UHFFFAOYSA-N 462.553 0.674 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnc(C(C)(C)C)s2)c1=O 920394016 DGZPAXNQTPKFSD-UHFFFAOYSA-N 487.651 0.801 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 928867659 BOAMPAGWADSMEZ-INMHGKMJSA-N 478.571 0.940 30 20 JCED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)F)CCN1C1CC1 1505322861 CDRHPQSZQVJTLW-AWEZNQCLSA-N 478.529 0.827 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1508375144 ISFJABYVFLTFAX-UXHICEINSA-N 487.586 0.582 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cc(Br)cn1 1510196665 XOTOGCPAGDVGNM-IAQYHMDHSA-N 475.348 0.989 30 20 JCED CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1554396042 SGCKAGPDNYVSCA-NVXWUHKLSA-N 460.560 0.982 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@H]2C1 1589404858 MTRZFVNAOLPMOM-HUUCEWRRSA-N 491.412 0.040 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1 1611308383 OUNKMYVBXPBUHU-LSDHHAIUSA-N 476.650 0.297 30 20 JCED CC[C@H](C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1613424836 ZZGSIWUAJNQYQI-ZMSDIMECSA-N 466.612 0.370 30 20 JCED CC(C)(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1706153287 JGLGVKOAEVWVAJ-DOTOQJQBSA-N 463.608 0.662 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOCC1(C)C 1723781309 YOLNYOYRNVSDRD-IAGOWNOFSA-N 469.612 0.460 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN(CC)S(C)(=O)=O)CCOC1 1728819129 VCXIYMAWGKEPOB-VQIMIIECSA-N 456.569 0.331 30 20 JCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1747195050 SWUYMVGNLKHZJG-PMACEKPBSA-N 458.611 0.934 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1749876751 ODLGWMFRLLMAOW-UHFFFAOYSA-N 453.503 0.256 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C 1761363327 LZESZBZZBNSEEM-NXRFCRFCSA-N 460.626 0.897 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1769820227 VLUYGCQVOPQYBZ-UGKGYDQZSA-N 475.571 0.856 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c2ccccc21 1778168443 ZGYZFKLGODDOBQ-VJURZPCMSA-N 485.541 0.699 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2 1780802714 HNXPNJYGQZMIRF-DBXWQHBBSA-N 472.608 0.032 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)[C@@H](O)C1 1781114745 LVAKDPFRSIQXAL-HKARXFIJSA-N 462.547 0.738 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171465 ZLAJVUMITQKKNT-WNWNSBFKSA-N 452.511 0.798 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1783268645 MIWJYCZECQQEMS-QZTZHPFYSA-N 490.605 0.257 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783928620 LKAVTHYMJSCEAO-IRBZQWRBSA-N 483.562 0.902 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784384976 BOCDZHIDOYYMBC-FKBYEOEOSA-N 466.575 0.466 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1784492478 SFDRCONNSGSPFC-DNCCFGNJSA-N 452.577 0.751 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2)n1cnnn1 1784603598 QCUYAYMQYUHCSO-ZSDSOXJFSA-N 497.622 0.666 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cccnc3)[C@H]2C1 1787476933 MYTZFTWYFAPYBN-KGWSWXIGSA-N 499.612 0.848 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOC)C[C@@H]21 1788576333 PXBVZYFZEMCFBG-MUGJNUQGSA-N 456.580 0.609 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1788637010 DYGGHHLVALSEIF-CMOCDZPBSA-N 471.510 0.575 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(=O)OCCO)[C@H]2C1 1789249701 JDYVOFZYSBAMPT-YYWHXJBOSA-N 486.569 0.711 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(C)C(=O)CC4)C[C@@H]32)c1 1789256881 YAKFHXXKMHCBNT-QSFXBCCZSA-N 453.499 0.768 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789881628 WASGCVHXIGYXFL-YOESJJQFSA-N 486.569 0.972 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21 1789890337 OIYWHBMGXBNWPJ-AVGNSLFASA-N 468.400 0.831 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)O)[C@H]2C1 1791056463 RSHHGEWCWXOGIB-ATIWLJMLSA-N 498.577 0.152 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1792566431 AUFTWKUDHCTNDB-WZEOQFAXSA-N 499.593 0.338 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C)C2 1793343263 QHFYDMXVUXWSJQ-YCOHNSLCSA-N 467.538 0.962 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1794405025 OJWBQSOOFSWVON-CCWDJLKJSA-N 457.512 0.343 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 1794592206 ANTJOQOIAGPXDG-YVSFHVDLSA-N 462.551 0.878 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)c1 1797780611 AUDXLOCMVKULIU-HATOLVCRSA-N 474.579 0.992 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799074446 LQCSHLAIESZYNZ-OPMZPASUSA-N 495.561 0.432 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1800995339 FNLDAZXGNVQPEW-HGKCTWBKSA-N 497.556 0.520 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801066645 DVKHZAQADXXNIY-QLCXLMDBSA-N 464.563 0.572 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1ccco1 1801273627 CHMUWBXFNANXOE-YJXLLHPSSA-N 475.498 0.913 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801993232 MIQDASAAMTWCGB-XGUBFFRZSA-N 451.476 0.169 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1802235524 AOBKIHUOCFFTOA-MTHXSQLBSA-N 481.590 0.785 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810094576 LJKJGTFLBXQKNH-IYVKKZTOSA-N 457.487 0.864 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1810360718 RDLDNHHDWUFKRY-XVTXIACLSA-N 472.502 0.215 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)cc1 1811890195 JCQJLAARBFFGKM-PXNSSMCTSA-N 469.465 0.713 30 20 JCED N#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1817124628 RRMNFGHVFQUGMB-NUEKZKHPSA-N 473.559 0.886 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CS(=O)(=O)N2CCCC2)n[nH]1 1818107334 LNHQQNYPEKPGDB-NVXWUHKLSA-N 451.549 0.866 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(N)=O)n[nH]1 1823542195 FCRYOAHWPLPMKE-ZFWWWQNUSA-N 461.523 0.987 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)CN(CCO)CCO)CC4)c2c1 1823893083 JBWUPWOHVVQQTJ-AWEZNQCLSA-N 483.554 0.403 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)CCOC1 1825671087 ZGQTZMZOOIUFKD-XUSGNXJCSA-N 478.527 0.827 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1829358541 QHPSWLZBHZVWGO-MZLICYQSSA-N 456.543 0.737 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CC)NC(C)=O)CCO2)C1 1829848267 DPVABEXQBHCGRC-AXHZCLLHSA-N 496.605 0.827 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CS(=O)(=O)CC)CCO2)c1ccc(O)cc1 1831345920 RFDVDZOBKFSSRQ-HYBUGGRVSA-N 492.594 0.780 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1831431818 GZLKLTVWRKVZHE-MWTRTKDXSA-N 458.515 0.940 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1831485235 SERIDOHHWKQAFL-RXVVDRJESA-N 450.561 0.222 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CN(CCO)CCO)CC3)c2c1 1831489942 LJQRLOSHVJRHIF-JOCHJYFZSA-N 482.585 0.954 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1831490384 BJPSGSLVHOBEQZ-WMZHIEFXSA-N 474.583 0.958 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1831999737 BEVWYZYTWZUPOH-JTSKRJEESA-N 478.550 0.204 30 20 JCED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)n[nH]1 1833824384 LQSUWYJPSVJYGW-HSZRJFAPSA-N 469.473 0.936 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1834775217 XFWAKNOCPNURRE-DGQXCUQSSA-N 471.510 0.685 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)Cn4cncn4)CC3)CC2)c(C#N)c1 1834871877 HLILUNUOENCYGX-UHFFFAOYSA-N 465.558 0.973 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)N1CCN(C)CC1 1835102762 XLHHTCIRMRBOAY-PXDATVDWSA-N 454.571 0.130 30 20 JCED COc1cc(OC)c(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1F 1835492059 TVACICNLXPJJRD-NRFANRHFSA-N 468.409 0.140 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836979773 ZTEHBSJMLAUNNN-QHCPKHFHSA-N 460.531 0.799 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837532929 IDOXPBIYVMOFHY-DNSLKSLXSA-N 462.503 0.315 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Cn2cncn2)CCO3)c(O)n1 1837641484 PQIPGUWRJPCZMW-HOYKHHGWSA-N 484.557 0.904 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)CCO2 1839074977 OFZMJYIRQYUPOL-STSQHVNTSA-N 467.563 0.737 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c(C#N)c1 1839132525 JCHFGZSDDVKWFT-DNQXCXABSA-N 489.525 0.182 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 1839176104 WEEWQLGKMGXQTG-MBSDFSHPSA-N 461.515 0.815 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839447896 COABKTVVEHALTP-GTBXIFBCSA-N 463.487 0.697 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H]5CCC(=O)NC5)C4)C3)c2c1 1839486197 MYQDJNUXUYGBIR-WAIKUNEKSA-N 466.498 0.031 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC5(O)CCC5)C4)C3)c2c1 1839489449 WRISTOSPZNJEGF-HSZRJFAPSA-N 453.499 0.810 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839898842 AKXFMVKVBFBXOU-UZUQRXQVSA-N 493.557 0.313 30 20 JCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)C1 1840145540 JSTDCDKJAQPJNM-KHCICDEESA-N 478.590 0.704 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1840174462 FRYOWQBDIWMVLW-RTFZILSDSA-N 465.547 0.797 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)n1cncn1 1840415193 VKGXTJIPAVKORJ-FDDCHVKYSA-N 452.515 0.800 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2cnnn2)CCO3)c(O)n1 1840475075 MQGPFKFCAJBNGX-OPAMFIHVSA-N 471.518 0.224 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814992 PUDRBKKPMCDZDJ-HXOBKFHXSA-N 480.562 0.412 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820285 IEMRDPZOMNRISO-GAJHUEQPSA-N 475.498 0.955 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1840907391 TZTQDXUIGBHJPT-NTKDMRAZSA-N 478.590 0.455 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1840908399 ASFYIILOBZXNBO-CYFREDJKSA-N 489.573 0.634 30 20 JCED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1)NC(=O)OC(C)(C)C 1841849421 ZFDORUIRYLUKMS-HNNXBMFYSA-N 463.535 0.601 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCNC(=S)NC)C1 1844268205 HLYUTYPEMNICRQ-HNNXBMFYSA-N 451.593 0.590 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC)NC(C)=O)C1 1844388014 OPUSXIPUBFMIEF-SEPYTNNBSA-N 464.563 0.810 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)OCC(F)(F)C1 1845068308 ZDZIVVFEHWKAQN-AWEZNQCLSA-N 471.457 0.549 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034334 GTWDENQFIUPVCR-IBGZPJMESA-N 480.606 0.173 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CC 1847495557 QJHZEPNJXKFUCA-LUKYLMHMSA-N 468.551 0.765 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CNC2=O)N(C(=O)OC(C)(C)C)C1 1848033672 NMYPFGFWGMOKNQ-JYJNAYRXSA-N 461.519 0.306 30 20 JCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)NC1(C#N)CCCCC1 19166054 IQLYQKNLGXJZQI-QGZVFWFLSA-N 485.584 0.654 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(C)c2)c1=O 501767248 VBIWPGIMTAVBPI-UHFFFAOYSA-N 455.536 0.533 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3C)c(=O)n2CCCC(=O)OC)CC1 501768643 CSWAMWGUGNEACK-UHFFFAOYSA-N 482.606 0.839 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H](C)c1ccccc1 515658734 OQERZZGCMOREIP-CVEARBPZSA-N 451.552 0.907 30 20 JCED CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)CCC#N)CC2)cc1OCC 519966904 BJSGNFBQMAUJOT-UHFFFAOYSA-N 460.578 0.881 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cccc(F)c3)c2=O)cn1 523863813 CDKVBSUOTBVFOO-UHFFFAOYSA-N 455.515 0.910 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccc(OC)c(F)c1 608829390 QSMPWZPONAXAQS-UHFFFAOYSA-N 487.534 0.699 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(OC)nc3)c2=O)cs1 608883936 CTOPBWIFZXIVGC-UHFFFAOYSA-N 483.575 0.683 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@H](O)CN3C(=O)c3ccc(F)cc3)CC2)o1 725953782 ULWSKDQLUKJQJL-HKUYNNGSSA-N 485.472 0.461 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2O)C(=O)N(CCC#N)c1ccccc1 813464130 STROQSVNFNUHKG-CQSZACIVSA-N 472.483 0.825 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc(Cl)cc2)CC1 839223700 NUAPULSAOSYEEH-UHFFFAOYSA-N 482.997 0.953 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 890330744 CZYGEPQDANGEJK-ZDUSSCGKSA-N 492.510 0.518 30 20 JCED Cn1ncc2c(=O)n(CC(=O)[C@H](C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)cnc21 916948948 INLKVZZWKYDACH-KRWDZBQOSA-N 497.537 0.652 30 20 JCED CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2S1(=O)=O 917520978 HNHNCPVRWCOFMU-UHFFFAOYSA-N 488.547 0.869 30 20 JCED C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918261643 XSRUCEZEIPIWAW-VKWHMPGMSA-N 451.549 0.275 30 20 JCED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 918442679 QLJWOFDNIGWGRJ-UHFFFAOYSA-N 450.474 0.921 30 20 JCED CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 919318680 OBZMSERYKHKNPD-OAHLLOKOSA-N 451.501 0.705 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 919654603 PGAAJALPKRJDFI-UHFFFAOYSA-N 457.535 0.864 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1167488434 PXHDQKCKRFFLPJ-UHFFFAOYSA-N 455.540 0.411 30 20 JCED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1303454572 QCELJIOLENYGGJ-QGZVFWFLSA-N 452.519 0.809 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1315068698 XLMZYZXDGWBOCV-UHFFFAOYSA-N 474.591 0.996 30 20 JCED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1519528834 OUEDBYLQYRKMQL-IBGZPJMESA-N 488.570 0.601 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1519530405 LXOCVMHAUUNRQY-INIZCTEOSA-N 464.573 0.333 30 20 JCED C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1596858463 VZVFNQZKPYDMAF-INIZCTEOSA-N 450.547 0.694 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1Cn1cccn1 1611711334 MQDDYTPBRZZTFL-LPHOPBHVSA-N 470.559 0.910 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1695931928 RCHUXHMNQCCPGV-UHFFFAOYSA-N 466.590 0.797 30 20 JCED CC(=O)N1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1706003155 IVDZCLGLUUHSRE-QGZVFWFLSA-N 488.618 0.560 30 20 JCED CC(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706634725 WMRFIPNWZAALMC-KRWDZBQOSA-N 451.535 0.737 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1710484054 QMZFRFIFRDFSOF-JTDSTZFVSA-N 454.553 0.083 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1747607499 OFSPYNDGAJPGMT-MSOLQXFVSA-N 473.559 0.570 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)(F)F)CC1 1761546878 KNULVHDTHYUVQD-ZDUSSCGKSA-N 493.512 0.420 30 20 JCED CCS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1766730791 KIDLINGVPAINQN-UHFFFAOYSA-N 461.596 0.410 30 20 JCED CS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1770334948 MXZBHMCGOGURKW-KRWDZBQOSA-N 478.600 0.570 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)NCc1ccco1 1779064496 BIYWBKIDIKBCMV-ZHBSTKLQSA-N 469.538 0.981 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)ccc1F)C2 1779200108 KLDZTXQTCDHLEY-ZWCUEREDSA-N 462.478 0.889 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779949511 DMNNPOVWBCQYRY-DEOSSOPVSA-N 495.561 0.521 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1781161439 KGUOJBCXJIKEGR-QQMNAOGKSA-N 478.546 0.622 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781201953 PBMJYVJMTATADP-SBUREZEXSA-N 469.579 0.931 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)OC(C)(C)C)C1 1781932678 UWPTVICPDYBDOG-OJSZTNNSSA-N 464.563 0.883 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)C(C)(C)O 1782015894 ZPQXRWQTKNGKDR-OMXJDXKCSA-N 481.546 0.253 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc3nnn(CC)c31)CCO2 1783047376 ATKXZZGWVQAKFZ-QMHKHESXSA-N 472.546 0.595 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C2 1783269232 MBVFWYKECMQQLT-PMAPCBKXSA-N 499.630 0.852 30 20 JCED CCCN1CCN(c2ccc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cc2)CC1 1783563538 UAUZEVPQWOTZIZ-VWLOTQADSA-N 468.554 0.750 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1785572368 NGPMJZKHFHAZLS-OYHNWAKOSA-N 459.503 0.542 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1785573753 ZSMQWLXNHGWNFE-HJPURHCSSA-N 474.514 0.446 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785623489 JBKPKYNXUOFUCL-WIEQDCTASA-N 487.623 0.476 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CNC(=O)C4)C[C@@H]32)c(C(F)(F)F)n1 1787198303 UTLCPECKUMOEPV-VZAMPYOESA-N 465.432 0.701 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1789935420 YQSQQEKMWCNGRY-VJANTYMQSA-N 495.621 0.524 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1790174581 COZOKCUCQLJXSI-SDAIJKJDSA-N 484.550 0.338 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1791124407 WPKBBVDBJCUSMX-BPBFDTGDSA-N 493.601 0.765 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1792223958 PESXOASPICEAPM-QAETUUGQSA-N 480.562 0.972 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1792451209 HBHQIJULUPWNDG-TWHPPBISSA-N 463.575 0.997 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCNC(=O)OC(C)(C)C 1793088783 PICBHNDHXUJWFV-XLMAVXFVSA-N 475.608 0.452 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CNC2=O)c(C(F)(F)F)n1 1794012120 HYIRHDFLAHJOEM-CLLJXQQHSA-N 464.404 0.776 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693278 DVHDKBOKAIIVTE-CCWDJLKJSA-N 457.512 0.343 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C[C@@H](F)C1 1800778448 YBGUWBUYNUQEAA-DBDOFBCQSA-N 467.494 0.259 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2)c1ccc(O)cc1 1801055809 LLPLJNWHVVXSAI-KTIHBUSBSA-N 494.548 0.750 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)CC1 1801965033 XNXSHSJARHMRKE-IZZQQSIFSA-N 463.579 0.678 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccc1 1802116316 XBSRXAKYZOMUNR-ROPHOZQPSA-N 457.527 0.904 30 20 JCED N#Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)ccc1F 1808560642 KUDOAYPHBHAVLR-MONBJTKQSA-N 466.517 0.934 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCN2CCN(C)CC2)[nH]n1 1814436370 RTFJZLQGSGRGCG-FQQSSWHASA-N 457.579 0.898 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1828581044 XHGMEFYFETWEOC-OJZVVMIASA-N 498.580 0.200 30 20 JCED CC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828927557 VJEBZGCBTXLKRG-HSZRJFAPSA-N 455.515 0.878 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829137549 JQSPVJWBYACCSB-RDPSFJRHSA-N 485.541 0.503 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CSCC(=O)OC)C2)C1 1829260231 JJWOLDPCKMUTNA-QHCPKHFHSA-N 473.551 0.978 30 20 JCED CC(C)CNC(=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332201 CTISUELLLYDCAB-RUZDIDTESA-N 498.536 0.299 30 20 JCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1ccnn1 1829335276 YPBASDGGBAZRMI-KOSHJBKYSA-N 494.508 0.379 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628024 KGMWQIQCASOTAZ-XMMPIXPASA-N 456.543 0.862 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1829766100 LQJARJCPPKOGDI-KSEXMQBYSA-N 453.499 0.263 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1831435324 PLCXSPNMZMQIKA-ZHRRBRCNSA-N 484.546 0.890 30 20 JCED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1831850149 DNSUJGQAULNHHY-IBGZPJMESA-N 482.585 0.857 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)on1 1832568747 PXBCNWMNUXVOHE-KRAMAXKOSA-N 450.492 0.511 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c(O)n1 1833699746 LIDCATJMPBYSNK-AUSIDOKSSA-N 493.582 0.553 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)c(O)n1 1833700197 QVPUFNFMHCWXOX-CYFREDJKSA-N 472.542 0.597 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)no1 1835100229 HQDAYCSEIIISGN-DEOSSOPVSA-N 466.494 0.221 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1835667674 MFBPCUCXZVYUGB-HXUWFJFHSA-N 450.927 0.482 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835876840 RKCOEGPSSBPPEK-JLCFBVMHSA-N 475.571 0.917 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc4ccccn4n2)CCO3)c1 1836397455 OABVCZORUXZAOW-DEOSSOPVSA-N 476.493 0.993 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836449803 OCOWGIOSYLZWJJ-YGPNGPECSA-N 455.519 0.500 30 20 JCED CCS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1836846227 MZXKQKJSDIKNIU-ODAUKNCYSA-N 473.592 0.949 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837363124 CWFLNFXPYSIXMO-WAIKUNEKSA-N 493.561 0.178 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1837397655 RRKMRKRMTGGOSM-XGHQBKJUSA-N 452.577 0.042 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nc2ccccc21 1837443706 OVKBVGILAZLMGQ-IAWFGPOKSA-N 496.568 0.475 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447395 MSULKZULTKXQRP-RAJMRQGUSA-N 451.568 0.219 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1837489272 BOMMSRFUAQRPMV-DEOSSOPVSA-N 457.527 0.003 30 20 JCED CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527326 LHUKSAQPBQWQIG-PTJKWTKHSA-N 463.535 0.810 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1837529138 PUDRPUHDAUKWLC-XQHLYRQSSA-N 471.514 0.933 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)CS(=O)(=O)N4CCCC4)CC3)CC2)c1 1838100837 JVQWUASWFROONP-UHFFFAOYSA-N 477.587 0.924 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnn(C)c4)C3)C2)c1 1838583530 HWKWRIIDDGRBAC-QHCPKHFHSA-N 453.499 0.613 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132815 RUHBCOMFHFZNEV-BXKMTCNYSA-N 487.557 0.273 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488221 FAPGEWZHPJPEAV-WNSKOXEYSA-N 483.529 0.212 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cnn6c5OCCC6)CCO4)C3)c2c1 1839518641 WYYOVPFBOHBWTB-XMMPIXPASA-N 491.508 0.797 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1839810848 VMQPWFWPBFOTCE-MUCNXURCSA-N 463.531 0.100 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCO3)CCO2 1839996474 GBOUWBCSHVXWNC-UOUGDEPUSA-N 469.538 0.479 30 20 JCED COc1cc(OC)c(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1840041265 AXLYGUCVGCCXBD-NRFANRHFSA-N 468.409 0.140 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CNC(=O)C(F)(F)F)CCO3)cc1 1840201110 FHTFVMZOVFAJSY-NRFANRHFSA-N 482.459 0.626 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1)c1ccc(O)cc1 1840220022 UAOZNASIFQTQGU-NVQXNPDNSA-N 485.581 0.678 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)cc1C#N 1840763307 UYMLDFJTNKSEHA-JOCHJYFZSA-N 454.487 0.847 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(I)c(O)c1)CCO2 1840784138 KHKBBQPTTAGYSZ-SFHVURJKSA-N 485.278 0.980 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840820621 ATEGXECUVKGAEI-JOCHJYFZSA-N 454.487 0.075 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840840972 WOEBVYYFHRGCLP-MBSDFSHPSA-N 465.547 0.492 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1 1840909324 QUNVZGKAWIPRQG-WZONZLPQSA-N 475.546 0.705 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1840916659 WJSTZBLBCADQOU-HOOSLVGPSA-N 497.589 0.145 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O)C2 1841056662 YNYCWIGZRZPXFH-ZTBDEIDFSA-N 456.518 0.935 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843082929 QOGXKDFLSPXSSI-IBGZPJMESA-N 494.556 0.884 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259833 LZHFOGMLXPFMQM-PTZPRWATSA-N 451.568 0.937 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@@H]2NC(=O)NC2=O)ccc1Br 1848130640 OSECYIGWYWVGAH-KKUMJFAQSA-N 460.288 0.734 30 20 JCED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 109891700 KSROWZHBOPNDKK-RDJZCZTQSA-N 475.552 0.564 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3ccccc3C#N)CC2)c1 512550740 LSMZGEJQNHQCHJ-UHFFFAOYSA-N 455.540 0.887 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C1CCN(C)CC1 516375180 TUTHSBXSIVLGLR-UHFFFAOYSA-N 488.566 0.130 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc3c(c2)CCC3)c1=O 517976690 FAQZUPYRSCIUJX-UHFFFAOYSA-N 461.547 0.483 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(CC)n2)c1=O 517985753 VUPUJLJDMFCJNW-UHFFFAOYSA-N 462.597 0.717 30 20 JCED Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NCC#N 521751810 IZGZXZQVAAHODP-IRXDYDNUSA-N 455.558 0.605 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCc1cccnc1 524108610 KKXKALYWCJAHSD-UHFFFAOYSA-N 497.558 0.879 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cc1 608889625 KYKKANFWJZDUEK-UHFFFAOYSA-N 484.534 0.998 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)c1 730664167 LLBAWWQUQGHCJY-HEHNFIMWSA-N 489.645 1.000 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1COc2ccccc2O1 913242740 LDEQSQXOGDJLNK-ZBFHGGJFSA-N 459.480 0.724 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3csc(N4CCCC4=O)n3)CC2)o1 915380282 BDDPJVSJDNFYMT-UHFFFAOYSA-N 458.500 0.873 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C1CCN(C)CC1 920398415 YEQRSWKJUVZOOB-UHFFFAOYSA-N 486.642 0.784 30 20 JCED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1299296056 LWSCIKMXHZSUEM-UHFFFAOYSA-N 486.602 0.652 30 20 JCED CN(C)S(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1314676202 ZLHXQORQXSSVTJ-UHFFFAOYSA-N 486.602 0.490 30 20 JCED CO[C@](C)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C1CC1 1503916084 IAHDJNXFHRKOSX-JNAXZKDPSA-N 451.597 0.880 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1619552104 SJTPRFQDLUHWBE-GOSISDBHSA-N 488.570 0.458 30 20 JCED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1729745632 UVZAMVHKDDUKTP-UHFFFAOYSA-N 486.602 0.538 30 20 JCED CS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1731019575 MEEKIUFNDBUXLE-IBGZPJMESA-N 486.602 0.362 30 20 JCED CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC)c2ccccc2c1=O 1764498116 ZQBVDMZTZWDWLE-HNNXBMFYSA-N 450.503 0.930 30 20 JCED CC[S@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768335097 GOVBVBXWXXGAHC-YTTGMZPUSA-N 456.576 0.762 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)CC1 1778114979 KDAMZOOQZBJLQX-QFIPXVFZSA-N 460.556 0.673 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195078 MSXDARWYUQJYEA-PEBXRYMYSA-N 453.503 0.586 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)CCO2 1783901465 QCSZBTHDDSBTKW-YJPXFSGGSA-N 455.577 0.913 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2)c1ccc(O)cc1 1784014979 UJGBBKJAJMIYGW-PDOGEWKWSA-N 468.510 0.317 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4cnc(O)nc4O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090515 VARGLQCTEMUOGJ-QMHKHESXSA-N 489.529 0.897 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784597379 LBGFOTIEHQGMQD-YZZKKUAISA-N 489.577 0.761 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1785572552 OKGYKRGQEDJCIM-SPLOXXLWSA-N 478.575 0.940 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788506551 DPRXLOQYBNOEIY-NXOAAHMSSA-N 489.577 0.216 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788638211 XPRCNEHBJLPYSO-LWYYNNOASA-N 454.520 0.444 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(C#N)cc4)[C@H]3C2)c(=O)nc1O 1789575370 QPLINXUDAGZUDA-FHWLQOOXSA-N 451.483 0.423 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21 1789892122 CQSPRJGQZDGZCJ-BXWFABGCSA-N 459.499 0.956 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)[C@H]2C1 1789911749 DEZYLEOPSVOUAC-GVZUZGFXSA-N 457.593 0.968 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792146979 FFINVAICQDKQCY-FUOQNJDISA-N 492.536 0.525 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C3)C1 1792444542 XNNVATWDWUWNAB-FCGDIQPGSA-N 493.605 0.884 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]3C[C@H]3N1C(=O)OC(C)(C)C)C2 1792484858 YITOCONHOZLSFJ-CQUHNZAHSA-N 488.585 0.832 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c(C)cc(C)nc13)C2 1792489262 LWPCAQRFBBRNCF-OSQPQIOTSA-N 452.515 0.408 30 20 JCED CC(C)[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1793605394 HGECBBSFNNVZBI-UMPJEAMMSA-N 462.576 0.026 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccccc2=O)c(C#N)c1 1795774799 KSHPQUQCMKLWSA-NHKMSHSESA-N 450.495 0.561 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994436 KZBIXCSRUCFRFP-BAESOJJISA-N 468.436 0.622 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2)[C@@H]1SC(=N)NC1=O 1796430111 ZWIAFPWQRAJYJJ-CUWKQTPXSA-N 455.540 0.758 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1797714447 SLXXIDQYWHOLLX-ZMMAXQRCSA-N 469.579 0.690 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C2 1799233150 LCJAFKZWVBXOHC-LFZDHENXSA-N 478.590 0.797 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1799260135 ICSMQNUXYQRSEE-XEMDLRDOSA-N 468.551 0.438 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)c(C#N)c1 1801286411 AKYRFLSFCRZQAY-OMXLDXBASA-N 494.552 0.169 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnn(C)c1 1801422679 IYHRJSCHROEVHL-AJYBTWMASA-N 459.547 0.469 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C2 1802138480 IFGQXJTUCGPWHR-KHOYOECWSA-N 478.590 0.960 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1803916785 KOUVFPQKQBVOQB-HBRDUZLMSA-N 483.525 0.932 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804192122 KAFISMPUSSYRNM-MBSDFSHPSA-N 476.493 0.590 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)NC[C@@H]2CCN(C(=O)C(C)(C)C#N)[C@H]2c2cccnc2)n(C)c1=O 1804384987 BUYHXLQGJOMHID-WMZOPIPTSA-N 492.540 0.084 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)N1CCOCC1)C2 1804408188 WLGKEMIYOYKTQA-HPEQOGIRSA-N 478.590 0.745 30 20 JCED C#CC(=O)N1CC[C@@H](CNC(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1807333955 PEADTVKQBXZAEK-YWZLYKJASA-N 465.535 0.575 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCCNC3=O)[C@H]1c1cccnc1 1809680384 YMIXZMFSZREQAJ-PLMTUMEDSA-N 464.526 0.770 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)C[C@H]1CO2 1812877974 QZULHSNIWDNCOE-DHCLVHEYSA-N 498.536 0.954 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879046 OVFBILOJNAZIQO-JTDSTZFVSA-N 460.487 0.061 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814768300 WSYQBWIGFGXHAN-NJDFMEINSA-N 458.481 0.252 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1814954343 NPNDOVYQZUKYNV-UKRRQHHQSA-N 463.491 0.766 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819885980 DXQAQTRGBUJCMF-JOMRGWSKSA-N 467.548 0.235 30 20 JCED N#Cc1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CN(CCO)CCO)[nH]n2)ccc1F 1820915748 YWMCJFZQHLLULZ-HXUWFJFHSA-N 472.521 0.942 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC3)c1 1821385136 RFSVVVQYRIJNEN-ZDUSSCGKSA-N 468.495 0.801 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCN2C(=O)OCc2ccccc2)C1 1828589816 NZRYDVICOKPWOJ-KNOQFWTLSA-N 498.536 0.585 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1829346462 VAHSVBFFMQTFQB-IIBYNOLFSA-N 473.559 0.444 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)cc1 1829632716 ZJUTYYNNLHZQLV-JYFHCDHNSA-N 477.565 0.912 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)c3ccco3)C2)C1 1829771053 CGHGEUQXZGOXQG-PRPIBZDOSA-N 453.442 0.686 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CN5CCCC5)CCO4)C3)c2c1 1829878288 ZAPFCASTVWZZTK-QHCPKHFHSA-N 452.515 0.600 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063262 LSZHZVTZAPHQBD-QMHKHESXSA-N 496.561 0.449 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)c3ccccc3o1)CCO2 1830306388 JEHYYWKTZDZJEI-CNXHMKESSA-N 481.505 0.721 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468158 FWUUBUPFRGBZRV-GCJKJVERSA-N 462.934 0.595 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)ccc21 1831213705 TXSLFOXTBQRFNG-DEOSSOPVSA-N 452.511 0.360 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 1831402861 TYXIMGMHCQFQNE-ZHRRBRCNSA-N 463.462 0.771 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1831425625 BLVAAVUFMWGBOW-ZHRRBRCNSA-N 476.555 0.726 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1)c1ccccc1 1832691897 QJULDMYKHZRVOY-WZOHSFFVSA-N 482.537 0.238 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)ccc1F 1832878026 UCOJCCMIDYCMIT-RUZDIDTESA-N 497.527 0.844 30 20 JCED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)no1 1832921310 NMQZAANIIBKONI-HSZRJFAPSA-N 453.499 0.881 30 20 JCED Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1833039751 VHGRTZABABPYSE-BPHSFESTSA-N 463.535 0.485 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NC(C)=O)C3)C2)c(O)n1 1833695553 AZBOWUMWLFABHV-DEOSSOPVSA-N 474.558 0.891 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834441011 LKZDWOHMYQFRBL-UZUQRXQVSA-N 477.562 0.960 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)CNCP(=O)(O)O)CC3)CC2)c1 1834665641 PULXRAPXCWRNFT-UHFFFAOYSA-N 481.465 0.607 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835146451 QIBQWPZACQWAQV-JXFKEZNVSA-N 456.586 0.625 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835382296 PIQLSGPBVGGOMI-DEOSSOPVSA-N 456.543 0.879 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)/C=N/N4CCCCC4)CC3)CC2)CC1 1835731962 WVAKSDRXMKBBGQ-LGUFXXKBSA-N 489.665 0.194 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)n1cnnn1 1835768915 OYLSLRHYSSSLFA-JTMQTMBGSA-N 462.555 0.335 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1835779494 VRBUMMSRSGHYDY-LFVJCYFKSA-N 493.630 0.001 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)c1Cl 1836129178 IABKAHQHIVAAQG-IBGZPJMESA-N 474.993 0.990 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1836289890 NJVKSIPESFNBNM-CLOONOSVSA-N 498.584 0.848 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1837394990 NFNPZERLYNZQSM-PGRDOPGGSA-N 481.571 0.128 30 20 JCED O=C(NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2)c1ccccc1 1837567934 ZAMNWERGQPLYMN-OTUOEDBFSA-N 482.537 0.975 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1838023334 VIRUMXSVCSDFGB-AWEZNQCLSA-N 474.522 0.226 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1)c1ccccc1 1838326474 AVINBIQQEWRNCS-RXFWQSSRSA-N 491.548 0.843 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1838584320 VKAYRNPBHHTNLJ-GAJHUEQPSA-N 456.499 0.163 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)C#N)C4)C3)C[C@H]1CO2 1839086135 WZBZQCOEIGKTRA-DPSWKAHMSA-N 492.573 0.771 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)NC=O)CCO3)N(C(=O)OC(C)(C)C)C1 1839165849 XKAZPIAZKIKGHR-STSQHVNTSA-N 480.562 0.143 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839351060 OJRMFQAAYWJENF-RUZDIDTESA-N 469.538 0.554 30 20 JCED O=C1Cc2cccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)c2N1 1839573765 ZKIFLNKGUJKYAN-FYWXSZBBSA-N 469.542 0.723 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC4(CCN(C(=O)OC(C)(C)C)CC4)CO3)C2)C1 1839805251 FYPYXMFFJIXBTJ-UQBPGWFLSA-N 491.585 0.882 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1839880111 GOEGHIPZZZNHOH-WVMBUTMQSA-N 496.605 0.827 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1839889496 XLECQQISFFBGIB-IBGZPJMESA-N 456.446 0.381 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840036872 WJWXOYLBGVYLJL-VWMXVWASSA-N 452.511 0.903 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045102 RAFFLKDJZWJSPG-GGUMNFRJSA-N 493.557 0.614 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1840158798 QFQAMMOTQXTOFV-OXJNMPFZSA-N 456.586 0.625 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1840293575 JSWLNUAMKRXGGK-MBSDFSHPSA-N 457.531 0.245 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2)C1 1840840584 FLGPYHIEJJRXHE-ZKDOBXEASA-N 499.630 0.518 30 20 JCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)c(C(F)(F)F)n1 1843168858 BJFZTQGRFXJZEU-UHFFFAOYSA-N 461.337 0.514 30 20 JCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1846372147 KZPJZYDSQUPYOY-UONOGXRCSA-N 457.597 0.850 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnc(SCC(N)=O)s2)CC1 27590371 GIXGUSDPVPETAS-UHFFFAOYSA-N 498.637 0.612 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)cc1 31718581 KSLWNAKWIYGHSP-UHFFFAOYSA-N 468.539 0.929 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(NC(C)=O)cc3)c(=O)n2C2CC2)CC1 590996973 KKNAJQVPODIPHB-UHFFFAOYSA-N 465.579 0.870 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(C(F)(F)F)c2)c1=O 604269861 GSJGSEXIBWMULM-UHFFFAOYSA-N 494.495 0.379 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 604508423 HIWBHQZDHGVYDU-UHFFFAOYSA-N 476.505 0.725 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(F)c1 726583756 HMXBQKMUXNFKBV-ZDUSSCGKSA-N 471.514 0.434 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(-c3ccc(F)cc3)c2)c1=O 728558782 RELIEGHIHOFPHX-UHFFFAOYSA-N 453.499 0.686 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 729675126 SRSCKXSDHRNIGU-UHFFFAOYSA-N 463.581 0.238 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 838957794 MTEMWRAQAQNWPZ-INIZCTEOSA-N 484.538 0.724 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCOC)c2=O)c1 917768717 JGLIUYSELOWQKQ-UHFFFAOYSA-N 457.552 0.707 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(=O)N(C)C 918729614 OKBVFIDJIXWEAK-UHFFFAOYSA-N 490.589 0.730 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 919315856 OISRGDRJXQOJEX-MOPGFXCFSA-N 498.579 0.211 30 20 JCED CCCN1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1307036005 VPTLHLQHRCPOQY-ZIFCJYIRSA-N 464.640 0.797 30 20 JCED COc1cc(F)cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1315338142 PTEFXJNVFYYOSM-QZTJIDSGSA-N 480.522 0.536 30 20 JCED CN(C)CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1517009456 IWQDGRJNCALWOO-AZUAARDMSA-N 474.587 0.898 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690346161 MJFKNOOCRQJCFB-HOTGVXAUSA-N 455.972 0.540 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@]1(O)CCN(C)C1 1692770516 IQYOKSVJOIWECK-AOMKIAJQSA-N 473.603 0.996 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCOCC2)CC1 1692848056 OIMYQTWPCQHRHE-SFHVURJKSA-N 481.623 0.463 30 20 JCED CC1(C)COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1706933988 PLCUAWVGTUEBQS-XMSQKQJNSA-N 495.650 0.852 30 20 JCED COCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1730637577 ZJTWEXGBBGPVJJ-UXPWSPDFSA-N 470.596 0.529 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1731189864 NOQWCGVIXFXXQT-KFWWJZLASA-N 478.497 0.172 30 20 JCED CNC(=O)C(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1748074979 RKSMGJNGDJSTMV-MRXNPFEDSA-N 475.575 0.696 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778056265 OZRSJOGTOSPKKK-XMMPIXPASA-N 494.508 0.524 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779068273 YDYHUDOTCZGTGB-CLOONOSVSA-N 493.601 0.791 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c(C(F)(F)F)n1 1779876726 DGKBAPJTTUYVPE-FQEVSTJZSA-N 489.414 0.618 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CNC2=O)C3)c(C#N)c1 1780689124 BEDGAFVOFVAQPN-NTKDMRAZSA-N 483.525 0.175 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1780735274 PCHIUHNWWGIVPQ-UZUQRXQVSA-N 461.515 0.325 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 1780785148 KCNICFFNFWWUOO-ZVVFGRKBSA-N 481.590 0.814 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1781168925 YTLVNRNZYJIOBD-NLFFAJNJSA-N 492.617 0.845 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1781310979 ZTQBQFHVXYBEER-UMEGOILYSA-N 484.553 0.966 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781340507 PSPKJHQVALBXID-GAJHUEQPSA-N 483.562 0.601 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)OC(=O)OCC)C1 1781509112 BPEKHKOXXHMKJO-PCJCISNBSA-N 451.520 0.920 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3C(=O)N(Cc3cccs3)CC4)C2)C1 1782554019 OLEWXDLEWFEXJE-QFIPXVFZSA-N 453.524 0.677 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1783454230 SWGLTCGDGIRHFV-HXOBKFHXSA-N 489.573 0.493 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3c[nH]c4ncc(Br)cc34)[C@H]2C1 1783574644 RPIWIQQKZMIOFH-ZLIFDBKOSA-N 489.326 0.936 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783613454 JCVXBAAYLGAEPL-YTZAWJCFSA-N 493.605 0.468 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CN(Cc3ccccc3)C(=O)OC)C2)C1 1783686819 MFLIEJFJSJUUTL-JRUKXMRZSA-N 484.553 0.943 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1783766959 KKCLHKGIPGSNEI-MWTRTKDXSA-N 476.530 0.999 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783868897 LHCZSBLKNRPYOC-MFEFFIJZSA-N 463.531 0.988 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1784369563 MPYSYFVUMASIJJ-QPPBQGQZSA-N 464.526 0.401 30 20 JCED O=C(C[C@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1785156193 GSBKUDFLJYNCDN-WGADNEIASA-N 460.512 0.065 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1785577536 YUJZCHODVZEUFH-SAHWJRBASA-N 462.547 0.354 30 20 JCED Cc1nn(-c2ccccc2)c(O)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1785597930 AJDZFKHYURUHRB-SZMVWBNQSA-N 452.467 0.568 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1785624104 RYAURWOOTNORQJ-MWTRTKDXSA-N 494.593 0.708 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786362437 RPFPPFBQXCCALU-BZSNNMDCSA-N 468.551 0.438 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1788638824 JRESOJJENWMEIU-BJLQDIEVSA-N 479.537 0.381 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788659568 PGTYWVLWLQMDKZ-LMIUKURZSA-N 498.577 0.381 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCCS4(=O)=O)C[C@@H]32)c1 1789259984 PAAXZUKZKHUEQD-KNTRFNDTSA-N 461.540 0.737 30 20 JCED CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21)C(=O)C(=O)O 1790634829 OWWXNLSEYBDDEF-FHWLQOOXSA-N 456.499 0.014 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1792222923 DEWPLXFPUACUSH-OLMNGRFOSA-N 473.592 0.741 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)CC 1793255147 PZHIPMDSUIVBOG-LVEJAMMSSA-N 464.563 0.407 30 20 JCED O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1794035147 DOYRNWGERXHJFB-OPMZPASUSA-N 456.543 0.423 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1795894667 BFABSUHQKOFULY-MGGVOPSTSA-N 473.530 0.460 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nnc(Br)n2c1 1795925698 HMJJZVRZUWKRPH-FAYQHZLMSA-N 476.331 0.733 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796448506 WVUXFYYDJJRZIL-LHLFZBRESA-N 450.513 0.692 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1800997122 MZCDZIKJMXLPEP-AJYBTWMASA-N 493.605 0.721 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802021267 ABJQVVUJQHRHSP-XGUBFFRZSA-N 451.476 0.169 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)c(C#N)c1 1802107200 LPOCQAMRNWRASS-VPTLXERWSA-N 488.591 0.559 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)cc1 1802576977 ZPRCVDQICNOKBR-JQVVWYNYSA-N 460.494 0.800 30 20 JCED O=C(O)C#CC(=O)N1CCC2(CCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)CC1 1806738592 MEJLUTPXZQJTLH-UHFFFAOYSA-N 451.479 0.992 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807943625 GUYGKYQVTCRXQG-XYPHTWIQSA-N 456.532 0.482 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1807945214 CEMFVNQAPSRNBE-KBXCAEBGSA-N 458.442 0.041 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cnc3c(c2)NC(=O)CS3)[C@H]1c1cccnc1 1812879391 DVXQUWPVPQEZOE-XOBRGWDASA-N 465.491 0.928 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)NC(=O)c3cnccn3)sc2C1 1820022110 XVIFIKDWTOMKRL-MJBXVCDLSA-N 456.528 0.702 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](O)N2CCOCC2)CC3)c(C#N)c1 1822809485 YQUJQTZALINYHD-OPAMFIHVSA-N 485.566 0.829 30 20 JCED C=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)C1 1828486893 CINMVYSQXXPKCD-LVXARBLLSA-N 497.596 0.998 30 20 JCED CN[C@@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1)C(=O)O 1828990936 ZZQMCCOIQICOMN-HFZDXXHNSA-N 496.564 0.915 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN)C2)C1 1829125310 WUNVJOCGKXXDPN-DVECYGJZSA-N 458.559 0.970 30 20 JCED Cc1cc(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n[nH]1 1829133105 NLCOEPSSUPWQNO-VWLOTQADSA-N 493.520 0.801 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1829355927 DOYGXIPFDMORLO-RCZVLFRGSA-N 486.569 0.665 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1829762987 WURRBSPUNBSBMR-GLXXVIDCSA-N 480.562 0.214 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1829860112 NQIDEFQAXUJTPX-REWPJTCUSA-N 458.515 0.552 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCOC[C@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)C1 1830063835 ZHQLNDWKQOELFZ-NRFANRHFSA-N 468.526 0.952 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1OC(F)(F)F)CCO2 1830129103 ZPVRIHYFTYXZEO-LJQANCHMSA-N 456.373 0.743 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1830214893 WNMPPRDXFUWANU-RDPSFJRHSA-N 474.558 0.467 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1830534071 WNJPCRDPBYBYBT-YHFSLCLQSA-N 467.563 0.683 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1830568924 OJNLHXOXMQDQRU-JPYJTQIMSA-N 485.578 0.311 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)C1 1831209619 ZAHXOGNINCZKBG-XMMPIXPASA-N 487.940 0.935 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(F)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831391469 CBPQMVLKEZFXQK-QFWMQHCXSA-N 497.564 0.830 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1831392424 DMNSCEISKNDQTO-MBSDFSHPSA-N 453.499 0.376 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Br)c3)C2)C1 1831395942 CLCMDBWNENSLEK-FOIQADDNSA-N 466.332 0.952 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1831399741 ZVRRREPTPDOEOV-URDVPIJWSA-N 459.499 0.251 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C#CC(=O)O)CC2)cn1 1831670125 NQGHNHWTJMVWJD-LJQANCHMSA-N 461.540 0.948 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1831998892 UUIQCPUDFWSWCJ-FDDCHVKYSA-N 477.562 0.960 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1832000380 NOBUBORERJDQKE-KSFYIVLOSA-N 484.550 0.268 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccc(Cn3ccnc3)cc1)CCO2 1832754619 UCVXEYUPEVENKO-GJCNFQEQSA-N 478.505 0.489 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)cc1 1833498059 VHOKNLVBYVVTJK-JOCHJYFZSA-N 451.439 0.430 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)NC(=O)CC)C3)C2)c(O)n1 1833695905 JGYORKPVEWJKIG-MZNJEOGPSA-N 474.558 0.891 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncnn2C)CCO3)cc1C#N 1833848214 XSKCYAKVZNOYNH-HSZRJFAPSA-N 468.514 0.858 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3C(=O)N(Cc3cccs3)CC4)C2)C1 1834766853 AOSFXRSFAANQJD-QHCPKHFHSA-N 498.565 0.584 30 20 JCED N#CCC(=O)N1CCC(N2CCC(NC(=O)c3ncn4nc(N5CCOCC5)ccc34)CC2)CC1 1834927914 QMFUGOXMMGDATH-UHFFFAOYSA-N 480.573 0.665 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1835716880 ANZFQPBEUSAIEE-RTBURBONSA-N 482.622 0.974 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835873770 BSYAFIPXTUAOMH-LHSJRXKWSA-N 461.544 0.935 30 20 JCED Nc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)sc2nccnc12 1835876327 CNOCAPSYEVCXBN-SHIRAINQSA-N 487.586 0.815 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1836215603 FQNDVCFROPPLHD-JXSLOMFPSA-N 473.592 0.131 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1836376794 COXRYMPYYKSIOM-FQEVSTJZSA-N 461.651 0.929 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cc(C)cnc34)CCO2)C1 1836947228 HLTVQBZHZDGMSB-JPYJTQIMSA-N 457.531 0.681 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCO4)CCO3)cc1 1836971784 ZNCREQZSNQCLBV-QHCPKHFHSA-N 451.483 0.921 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836972921 JAELOYYGXSNIEY-XMMPIXPASA-N 481.509 0.686 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1837400289 BZPMMLAOMNQYRC-XFAGBWLFSA-N 499.605 0.292 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1837403878 VCNLNJCWHAJVFG-HYBUGGRVSA-N 475.542 0.994 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1837440814 ZJUOJDMYWULHBY-RMFNBWNASA-N 464.563 0.504 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837531522 OTQROXXGDWXIIW-WPGPLNCSSA-N 477.558 0.670 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837531537 PBWTZISNCMZGKG-RNVZNFDCSA-N 476.486 0.409 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c(O)n1 1838325366 DWYQAWJOGLBVQT-DEOSSOPVSA-N 496.524 0.179 30 20 JCED CCOC(=O)c1cc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)ccn1 1838548666 CWEUIGVNGPVEGG-UHFFFAOYSA-N 457.483 0.959 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])CCO2)C1 1838602298 ZGXSQVRHQDWUKA-OYHNWAKOSA-N 479.486 0.970 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739502 VVHDGWHRSPDWBS-QFIPXVFZSA-N 461.519 0.870 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1839227115 JVPSWOZPCZPIHY-ZQMYSKGWSA-N 474.514 0.978 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361308 BNWYWYOHQNAYCH-HSZRJFAPSA-N 451.483 0.935 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnn6c5OCCC6)C4)C3)c2c1 1839489306 XLAPRQBCFLAFDJ-XMMPIXPASA-N 491.508 0.797 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccccc5C(N)=O)C4)C3)c2c1 1839489364 YSHLXGNZVAZKMV-VWLOTQADSA-N 488.504 0.917 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1839654419 YLKSQNQLDHIABR-JOCHJYFZSA-N 482.723 0.978 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1Cl 1839664463 FFSYJSZBZNZSFY-JOCHJYFZSA-N 471.901 0.539 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c(O)n1 1840228212 HOCIJQHOKZMREO-OSPHWJPCSA-N 472.542 0.502 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c(C(F)(F)F)n1 1840229957 UWTXGAZVBVUYNL-QKKBWIMNSA-N 495.458 0.568 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CN(C)C)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251800 YZQHFJVTBBLWCX-MBSDFSHPSA-N 466.579 0.570 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)c1 1840480962 WLHLWRMCWBCMFJ-JLHGSKIFSA-N 453.503 0.631 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(OC)OC)C2)C1)NC(=O)OC(C)(C)C 1840796124 VOTGVIICWVBMMA-HXOBKFHXSA-N 485.578 0.921 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3[C@H](C)OCCN3C(=O)OC(C)(C)C)C2)C1 1840840588 WWJPSTLHKFDVOA-NRYAXDJKSA-N 479.574 0.881 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)no3)C2)C1 1840906707 HPWUGOWRXWUPLX-YADARESESA-N 490.557 0.899 30 20 JCED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)ccc1F 1845203920 MQGYNBQDMRDFGV-RBUKOAKNSA-N 499.568 0.623 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1846330605 HIPNBDRLGNVLEW-IAGOWNOFSA-N 485.603 0.556 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(N)=O)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847696280 KVWIWCOCQFOMNW-QYZOEREBSA-N 498.536 0.511 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 15118347 ZCAHJHGADKTVGP-UHFFFAOYSA-N 451.486 0.625 30 20 JCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 15834836 FVWKLHVNFMOWSS-MRXNPFEDSA-N 492.579 0.900 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 16260965 IBVUOCUBIPPGGD-UHFFFAOYSA-N 466.541 0.350 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCC)c1=O 31751601 ZLUHIGKXMAKTQR-UHFFFAOYSA-N 488.570 0.602 30 20 JCED N#Cc1cccnc1NCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 107657456 ALBWJQTUUJOBAF-UHFFFAOYSA-N 451.530 0.365 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)ccc1SC 550106083 BBPXSQGRCNFZJB-UHFFFAOYSA-N 495.648 0.918 30 20 JCED Cc1ccc(C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1S(=O)(=O)NCC#N 557624495 OLALRMRXHBRSRB-UHFFFAOYSA-N 495.583 0.939 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 726042272 GCDWGEDFMLNSJJ-UHFFFAOYSA-N 492.510 0.320 30 20 JCED N#Cc1ccc(N2CCC[C@@H]2C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 728345811 RLHWNMHAMNPYLV-VQTJNVASSA-N 460.556 0.402 30 20 JCED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 729055581 FVWYROOVAVCFEF-UHFFFAOYSA-N 491.552 0.536 30 20 JCED CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 853708226 JGXCXIFPARLAFO-OAHLLOKOSA-N 480.543 0.738 30 20 JCED C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 863850588 AVPBYOADYDDUFL-HSZRJFAPSA-N 481.534 0.858 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1CCOC 916200896 UFWLWVKPQYDXIG-UHFFFAOYSA-N 459.524 0.387 30 20 JCED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1288248804 YDTBLUJWSMNEGX-UHFFFAOYSA-N 494.600 0.998 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccsc1)N(C)C 1303866539 IYWSBZKMNXYTHO-BPUTZDHNSA-N 453.594 0.981 30 20 JCED CCS(=O)(=O)NC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1321660221 SJGGUANVBFPXOA-UHFFFAOYSA-N 468.601 0.889 30 20 JCED CC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1359364107 JMQBPZOOORGWLG-HNAYVOBHSA-N 478.623 0.323 30 20 JCED CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1517189594 VHQXJYABJGDECH-UHFFFAOYSA-N 465.490 0.859 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1517538713 RKLDHYCUKFNIPQ-MSOLQXFVSA-N 473.559 0.192 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(C)(C)O 1541941849 RTDVTUALLNJVST-AWEZNQCLSA-N 465.555 0.997 30 20 JCED N#Cc1c(F)cccc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1653621045 WMVOWZXKDXTMRN-UHFFFAOYSA-N 453.521 0.523 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1692544447 NTEJYQAPVQATHQ-AEFFLSMTSA-N 454.535 0.813 30 20 JCED C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1722875824 NYPLDKPPARKHKY-HOTGVXAUSA-N 460.560 0.933 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1-n1cccn1 1723953229 CIGKSSIPNNYKQN-NVXWUHKLSA-N 456.532 0.851 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1777963099 YXFMWBQAOXOAIK-HOOSLVGPSA-N 497.589 0.895 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1)C(C)(C)S 1778006190 ZLYREATVFNONPC-GHZYGTOFSA-N 487.667 0.388 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n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c3ccc(OC)cc3C#N)C[C@@H]21 1783531156 DVJPOQGBIMRXNS-ZDSYJAEESA-N 466.538 0.947 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(O)cc1 1783556848 WODXYFYTMNDQHB-YKSBVNFPSA-N 487.509 0.876 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783583514 OPJPANINRJOSJR-BRHFBXIFSA-N 474.558 0.879 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnccn3)[C@H]2C1 1784249375 MGNRRCWTRAYLTC-FFGOWVMKSA-N 471.558 0.915 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1784785326 LAVWFHFDXNUGTN-XSLAGTTESA-N 455.552 0.444 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785465127 WTUBJWHZMAIPLG-DHIUTWEWSA-N 463.531 0.942 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785541007 PQCDEOQBFLUMSK-HBRDKIMXSA-N 450.542 0.389 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(C)=O)[nH]n3)CCO2)C1 1785572507 LYPNDFXOTVNKCM-QMHKHESXSA-N 473.530 0.972 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1789958145 MKJDQMLINPPHRS-LAQRGFTBSA-N 477.587 0.672 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCCS4(=O)=O)[C@H]3C2)c(C#N)c1 1790748882 DOZUPTTVDAYBSG-FIRPJDEBSA-N 475.567 0.666 30 20 JCED COCCOCCOCCOCC(=O)Nc1ccc(C2(NC(=O)C#CC(=O)O)CCC2)cc1 1791490527 FNISLZNOTKHMNR-UHFFFAOYSA-N 462.499 0.905 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(C)=O)C[C@@H]21 1792258883 SBBLYXUZNVJBQE-VJANTYMQSA-N 464.563 0.409 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261560 VMVHICZOYQGWQD-JHDGKUDLSA-N 493.601 0.937 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1793823413 MPYIWTXVICXLTC-FSNPWBFUSA-N 469.604 0.723 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCNC(=O)c3ccc[nH]3)c2c1 1794037007 HSGOVUVYYOKQDG-VPTLXERWSA-N 475.509 0.786 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083186 DIHYGGZQMQITLB-QOIYZWAUSA-N 458.519 0.747 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)N2CCOCC2)cc1C#N 1797809427 GVAXTEYAZRKSDH-ORVPSHMPSA-N 472.542 0.199 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1799390895 BZOXOFOQSFLKSJ-PZTGFMGMSA-N 457.531 0.731 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800735770 ZPXOHKJIWLWSIT-VXQHEEGCSA-N 467.522 0.995 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801052136 ZZKQJUXXVSHVCG-DSPLJNTKSA-N 481.590 0.931 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801732540 XRJWQXSAXPFJRK-FCGDIQPGSA-N 468.595 0.381 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 1801867498 ZDIAVRUQUWYKTC-YDGKCNFYSA-N 453.495 0.910 30 20 JCED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)N2CCOCC2)C3)N(C(=O)OC(C)(C)C)C1 1802508843 CZMURRXZCUXJKK-PQTWGXLHSA-N 478.590 0.841 30 20 JCED NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1807189938 HCTZYXYYPPOMKB-OUHKSFHGSA-N 460.535 0.209 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCNC(=S)NC)[C@@H]1c1cccnc1 1810310208 UZIHQIBJBVHSRH-ZVYDBLGCSA-N 458.588 0.430 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1814060121 MTXJIYYJXCFYBR-JPYJTQIMSA-N 476.493 0.590 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814980151 WSXVDQIJOLCGAH-GOEBONIOSA-N 479.559 0.832 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)cc1 1816673238 FZMMYDLEQIIQFQ-GFCCVEGCSA-N 461.467 0.680 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1823518461 VIGXCUSZUKXXJJ-UXLLHSPISA-N 489.577 0.911 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828525860 YRBWUKUOBDGGKF-NRFANRHFSA-N 467.469 0.961 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828578971 APCONWSGSCYXQL-DVECYGJZSA-N 495.540 0.164 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)COCCO)CCN3C(=O)OCc3ccccc3)C2)c1 1829227654 LBLUWMPEMOHWQT-RUZDIDTESA-N 495.536 0.961 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1829267247 MNBKPWOEXIVHSX-QFIPXVFZSA-N 468.539 0.982 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1829267443 PKFHKCREPOVDDG-WZONZLPQSA-N 450.499 0.924 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1829765982 DISKBDAOABMJDU-UZQCKINESA-N 453.499 0.263 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1829769170 MNVAWBYRNXLKOA-XLQQFJOYSA-N 460.575 0.320 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063064 HYOPGTKLRIDDNM-HXOBKFHXSA-N 462.547 0.909 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CN(C(=O)c3ccccc3OC)C1)CCO2 1830429071 VHPPOJBNXZKAAB-RUZDIDTESA-N 469.538 0.637 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831181450 JTVYOENNEYTDMH-AHQDJFPKSA-N 463.556 0.858 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1831223476 VJQGLNCKMRAKBF-VWLOTQADSA-N 463.490 0.599 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1831392157 JRLPGSAYIGWKNQ-IFXJQAMLSA-N 469.336 0.291 30 20 JCED O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)c1ccc[nH]1 1832875733 LZOZRFXFHAZNOQ-VWLOTQADSA-N 464.522 0.643 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCNC(=O)c3ccc[nH]3)CC2)CC1 1833073978 VGBUSSBACZUUGT-WAYWQWQTSA-N 484.601 0.565 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833877434 CSSCRMZFISYGLU-OPAMFIHVSA-N 478.550 0.355 30 20 JCED CC(C)n1nc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1C(=O)O 1834001207 LOGKTPMWFORUKS-UHFFFAOYSA-N 459.503 0.435 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834717265 XEBYXOWHRALZOK-LJQANCHMSA-N 494.637 0.683 30 20 JCED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)CC1)C(=O)O 1834740294 TZJQOVNCXRWMPB-NRFANRHFSA-N 471.558 0.815 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)C1 1834756390 VNAXSRFQMNVBLJ-NRFANRHFSA-N 462.890 0.435 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)Cn5cncn5)CC4)CC3)c2c1 1834872792 VAALHXXYBALTNN-UHFFFAOYSA-N 461.530 0.911 30 20 JCED COC1(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)CN(C(=O)OC(C)(C)C)C1 1835357093 XZHFQKDQRPBHSB-QHCPKHFHSA-N 480.562 0.773 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3c(=O)n(C)c4ccccc43)CC2)CC1 1835454432 CJYNPKGGVVCDMH-LJQANCHMSA-N 481.597 0.950 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836320548 GEHJQENFKOZOEW-FQEVSTJZSA-N 498.462 0.313 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1836468715 PTYICKMSPYNQMD-HSZRJFAPSA-N 461.515 0.906 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836650751 MDAXAOXJRRCYRR-GVXOCLJHSA-N 473.526 0.976 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)[C@H](O)C1 1836769507 MYRRPXWCGMZSQT-VSDWSMLSSA-N 480.562 0.364 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/C(=O)NCc4ccco4)CCO3)C2)c1 1837636403 YLMAWSWTELNIRH-OSFWOZTASA-N 467.482 0.422 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837733493 AQRJNVMALBKNGB-GCJKJVERSA-N 478.933 0.433 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837758941 GLYJNPSZAOHNCR-UWNFHLEISA-N 491.545 0.524 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)Cc4ccccc4NC5=O)CCO3)C2)CC1 1838442349 DDRLZIXFLIWWSK-RUZDIDTESA-N 490.520 0.871 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)ccn2C)CCO3)c(C#N)c1 1838534618 UFHLRGJJRGVYMF-VWLOTQADSA-N 480.521 0.578 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1 1838584323 VKAYRNPBHHTNLJ-UZUQRXQVSA-N 456.499 0.163 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598556 QEWGSUHYMUMQCK-IVZQSRNASA-N 477.949 0.989 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839043536 GPYXFLTUQXWHNC-AUSIDOKSSA-N 496.486 0.911 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839157917 FFAGNOSIAYIIBB-HOIFWPIMSA-N 468.551 0.047 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3COC)C2)C1 1839173715 HWFTWIMVBYNADE-OAQYLSRUSA-N 451.476 0.400 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1839225900 YGFUWEJJNOZCJS-OSPHWJPCSA-N 487.557 0.748 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3ccc(C(F)(F)F)cc3n1)CCO2 1839482842 JAJRNZUVFBEMKF-HXUWFJFHSA-N 480.399 0.511 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1839844619 PCEBHPVXDWWXBE-YZZKKUAISA-N 469.579 0.931 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)O[C@H]2C1 1840016267 SWONLGBLAGJMBM-FVJVTNMWSA-N 492.573 0.771 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@@]24C(=O)Nc2ccccc24)CCO3)c1 1840037495 DBOYPCYKFWPUFW-WDNCENIBSA-N 475.505 0.866 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)C1 1840157397 NSEHKRUSRUMGSH-WAIKUNEKSA-N 477.583 0.542 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1840176116 VZPKRFJYKRZPKD-AOMKIAJQSA-N 451.520 0.945 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)cc1C#N 1840763438 DGBDLIFSHSSTRG-XMMPIXPASA-N 481.509 0.813 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1840819397 ICVJBFCNJDHSML-DEOSSOPVSA-N 476.493 0.979 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1840913143 ZOFFBBBTRFZUQO-MBKAAHDRSA-N 480.562 0.047 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1845199117 GAFRLCZJFWMGGV-HNNXBMFYSA-N 463.535 0.601 30 20 JCED C=CCNC(=O)CN1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 492336060 LOFYXSLVKVOEIG-UHFFFAOYSA-N 464.588 0.736 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC)n(-c2cnn(CC)c2)c1=O 523861256 XIJZEIHFMOUBEF-UHFFFAOYSA-N 468.495 0.671 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCCOCC 604119086 DLIDSGYQJYUPFY-UHFFFAOYSA-N 475.592 0.545 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CC(=O)N(C)C)c2=O)cc1 604269972 LDMVQGNGCQEEIH-UHFFFAOYSA-N 481.622 0.228 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)c1 604270505 UJGOUSYRCCQBKN-UHFFFAOYSA-N 484.578 0.149 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(=O)N(C)C 604270556 YVPBGEULAARSLX-UHFFFAOYSA-N 499.412 0.088 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3ccc4c(c3)OCCO4)c2=O)cn1 726784618 ICTPECNYWILBCN-UHFFFAOYSA-N 477.546 0.439 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCc3nc(-c4ncccn4)no3)CC2)o1 727902636 MUHIGRCWDBNKKT-UHFFFAOYSA-N 452.431 0.519 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCS(C)(=O)=O 729672953 AFAOOFCZSZTBTO-UHFFFAOYSA-N 491.635 0.617 30 20 JCED CCN(C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 729687611 VGISUXXDSASRKM-ZBFHGGJFSA-N 471.557 0.459 30 20 JCED COc1ccc(CC(=O)OCC(=O)N(C)C(C)(C)C#N)cc1S(=O)(=O)N1CCOCC1 748444547 SPLJFGVGGSDNMD-UHFFFAOYSA-N 453.517 0.562 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 818036579 OJOGVJJDWIRHNC-UHFFFAOYSA-N 465.532 0.032 30 20 JCED N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1C(F)(F)F 916780708 VQWBDCARKSIEFW-RYUDHWBXSA-N 479.458 0.418 30 20 JCED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 917019260 YPVNOEAZOPEPCL-INIZCTEOSA-N 454.464 0.880 30 20 JCED CC(=NNC(=S)NCCN1CCOCC1)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 917533391 JESOPHVWILLQJL-UHFFFAOYSA-N 470.665 0.437 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCCC(=O)OC 917784069 QIADSOMROIDCFB-UHFFFAOYSA-N 459.572 0.844 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCCN2CCOCC2)cc1 918271744 VXRTXLJFHYCOHO-CLCOLTQESA-N 465.576 0.667 30 20 JCED CN(C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1297935670 LWSCPYISQPFFGL-QZTJIDSGSA-N 495.606 0.131 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1306246516 TXCQTWAOLUXNMY-MSOLQXFVSA-N 457.560 0.956 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C1CCCCC1 1359474716 WISDIYCTIDUZKM-SJLPKXTDSA-N 481.623 0.998 30 20 JCED COc1cc(OC)cc(N2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2=O)c1 1641353512 ZLOCCICULNGNLS-LJQANCHMSA-N 458.496 0.775 30 20 JCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690342592 PVIWPYCIMHLRHW-OAHLLOKOSA-N 460.988 0.859 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1692736728 NMVFAPPCHLQRLB-IRXDYDNUSA-N 459.576 0.967 30 20 JCED C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1692807859 FAXRADBEPVMFSA-WFXMLNOXSA-N 482.607 0.671 30 20 JCED CS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1698319548 IZZHBOKDRPUBMO-UHFFFAOYSA-N 486.602 0.144 30 20 JCED CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1=O 1746426722 IECAUENKRWMBIV-NRFANRHFSA-N 458.544 0.425 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)[C@H](C)C1 1760617991 CORZOMKJUGOIJE-MRXNPFEDSA-N 475.575 0.677 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778961502 NMMOWIIYFMGAKH-SEPYTNNBSA-N 481.594 0.993 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)CCO2)C1 1778975562 HAYXQYGQPGHYHS-CLOONOSVSA-N 494.633 0.942 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnncc1C(=O)O)C2 1779365458 BDPXGVPNVHHKHE-PNACRUJXSA-N 458.519 0.774 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781290507 HPVCOGCSKCXEAR-YGKZAACZSA-N 481.594 0.269 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCN1C(=O)c3ccccc3C1=O)C2 1782010838 GVMVUPHEOQTGFJ-KBMIEXCESA-N 481.505 0.665 30 20 JCED CC#C[C@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2)c1ccc(O)cc1 1782257524 IVNPQAPTJARNQF-NYUJMHJJSA-N 496.564 0.955 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2 1783270239 VOYCRICOICTBNK-YZZKKUAISA-N 474.562 0.709 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1783862396 GVSQJBPCTALSFL-PQQDHYPZSA-N 496.630 0.932 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCOC)CCO2)C1 1783885362 ZEVOVZJTTJVENL-SBUREZEXSA-N 498.577 0.658 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784260683 QYTHMDBLAFQPFW-SBUREZEXSA-N 480.562 0.869 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Cn3cncn3)[C@H]2C1 1788725697 XBLWPQIMLLLREG-DEPCRRQNSA-N 488.589 0.811 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790860296 UOFVMVFWMSDRJQ-PJVZLEMVSA-N 478.590 0.962 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)[C@H]2C1 1790863230 PAPVNRARBJYUNI-WRNCNIFXSA-N 466.579 0.960 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C1CC1 1791072876 GSSKKQPEDJKCDT-XSLAGTTESA-N 463.531 0.748 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791073226 SXMWVWWTQWIYPX-MNAFTKGFSA-N 493.557 0.062 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1793310341 USRKWTCHAYZGPU-KBMWQNTOSA-N 462.572 0.408 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H](N)C(N)=O 1796078627 GSZWZLAVWVXVGJ-QEOTZNIISA-N 451.568 0.687 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)c(C#N)c1 1796429634 ULCPLZBFBIRSNF-DFVRBWPNSA-N 485.566 0.501 30 20 JCED Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)c(C)n2n1 1796926435 WAXFWPXPWVDZLE-YKCSLIFISA-N 471.518 0.473 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797803395 QZRBIUXYBNOYPR-BAYUQKDNSA-N 451.640 0.278 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797835566 IQFSEKOKNCKBJI-PVMJITJMSA-N 488.541 0.867 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]cnc1-c1cccnc1 1798491391 WLNMVKRQIFOVOD-YKVIEXEGSA-N 450.499 0.533 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 1798695167 UCDVQFNHVZEPJG-CLMWXKPWSA-N 473.530 0.461 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799354169 UUEVJKRVCGFGHO-MDMSPXHWSA-N 469.579 0.425 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1799365990 ZVMAMPPCKUGGHT-LVEJAMMSSA-N 455.552 0.443 30 20 JCED O=C1NC(=O)[C@@H](CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#Cc3ccccc3)cc2)N1 1799613273 UHJIAXROWKZVRH-JTOYRKQZSA-N 486.528 0.888 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1OC[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 1800732276 XHHALOWCDXLHCD-LQTKSXFJSA-N 461.559 0.871 30 20 JCED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2cnc4c2c(=O)n(C)c(=O)n4C)C3)c1 1800761364 JZSFCXYYSQHEJM-REPLKXPHSA-N 489.536 0.566 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)C[C@H]2C1 1800778714 DDLRDNJYOSNBHA-QTSPYONBSA-N 461.515 0.311 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1802480294 FNKCIQPPUXVXKF-SXFJPSEXSA-N 489.598 0.371 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1)C(C)(C)S 1808271360 NNOOGKOFSHCMPB-VSZNYVQBSA-N 494.662 0.975 30 20 JCED NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1814806864 RLWSBPHFMUWEGW-KNBIVEQCSA-N 452.537 0.177 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815671255 IENHHHRBHOXLSZ-QGZVFWFLSA-N 479.607 0.414 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817251522 MVGJCRUNAKECLU-RDJZCZTQSA-N 453.503 0.945 30 20 JCED COC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819845829 KQRQEKSXWCWKQX-RDJZCZTQSA-N 462.572 0.905 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=N/O[C@@H]4CCCCO4)sc3C2)CC1 1819902241 MZAUJSNXUDIGAR-RROYJYQASA-N 492.602 0.748 30 20 JCED COc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CN(CCO)CCO)[nH]n2)c(C#N)c1 1820837787 URUFXHWYHYNICE-OAQYLSRUSA-N 484.557 0.811 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665488 PEQTVJTUTQIHCG-YPMHNXCESA-N 466.516 0.683 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)CC1 1828922269 CQFVSBQBHBNUFO-HSZRJFAPSA-N 468.514 0.411 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CS[C@@H]3CCCCO3)C2)C1 1829770457 QZUYAHGDPUVNLD-VEYQWQAPSA-N 467.588 0.561 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)cc1 1829901455 BWUUIVBSMHGMCJ-QFIPXVFZSA-N 453.455 0.072 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)c1 1830460216 FRLAIXDCSHTHDV-DEOSSOPVSA-N 470.526 0.790 30 20 JCED O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CCN1 1830470070 PBGIHRKJXHHEJH-WZONZLPQSA-N 459.930 0.674 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1830835854 FRRUNRGYRNXFPB-BCHFMIIMSA-N 497.548 0.096 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1831396974 MZHYRWVGBXXHHW-PUZWTLIVSA-N 495.573 0.165 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1831425960 CPVHTSWHYIAEST-HNVPCBRESA-N 487.597 0.935 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831432540 AQOKWARXZSVYMY-PMAPCBKXSA-N 485.578 0.310 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831999173 XIIITHSUENFFRE-KSFYIVLOSA-N 468.551 0.000 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1832000288 LCEKAZNWDUUQNQ-HTAPYJJXSA-N 468.551 0.048 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832426886 CAZXSNONTBIFIB-VWLOTQADSA-N 484.553 0.796 30 20 JCED CN(C)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1833361127 IYUFGPQPXBFXJE-QHCPKHFHSA-N 458.563 0.499 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)c(=O)[nH]c1C 1833384101 RYBFZEVLXDBSTC-DEOSSOPVSA-N 465.510 0.571 30 20 JCED NC(=O)[C@@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1834733189 DKHHGLMCCUAPJK-JXTAAOLFSA-N 475.615 0.651 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)[C@@H](O)C1 1835352361 VQNHETPQFONXHP-IUKKYPGJSA-N 480.562 0.364 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)ccc1F 1836128283 IHWQNTJDSTUNJM-DEOSSOPVSA-N 484.484 0.719 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836138133 ZCOHWWMLMWXHJA-FDDCHVKYSA-N 492.577 0.594 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)n(-c2cccc(=O)n2C)n1 1836259406 AFYKFPGHGWHBLT-KSFYIVLOSA-N 475.571 0.268 30 20 JCED COc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)CNC(N)=O)CC3)CC2)c(C#N)c1 1836389618 QSHQDAIOCLMDTR-UHFFFAOYSA-N 456.547 0.349 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837112524 FTPMZZWLGSQMEU-XCUVTCGESA-N 471.514 0.933 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837331387 RVWBXRJMIJBVKU-NRFANRHFSA-N 458.544 0.921 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1837397639 RLZZQHUTPQSKDT-HYBUGGRVSA-N 469.542 0.910 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443762 QLNJAIRFFZIVPH-NVAXRVGSSA-N 497.394 0.724 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)NCc1ccco1 1837490841 RSFFPOFTLHULSY-HFPKFUSDSA-N 499.564 0.607 30 20 JCED COc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1F 1837526235 CHUYWMJWDQGDLU-BTJNRMLXSA-N 480.493 0.828 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1837634221 XMJQXTSIZXPVDC-XMMPIXPASA-N 479.493 0.427 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837767666 CSKOZIJTXPPWQW-QVKFZJNVSA-N 453.442 0.352 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(N(C)C)o4)C3)C2)c(C#N)c1 1839131787 ZNFVUYNIPYOSAT-DEOSSOPVSA-N 483.525 0.934 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c(C#N)c1 1839133168 BMFVQFHPFKHKPA-UUOWRZLLSA-N 470.526 0.092 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3COC)C2)C1 1839173714 HWFTWIMVBYNADE-NRFANRHFSA-N 451.476 0.400 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1839174606 LZXGTYKWBGLCBZ-FQEVSTJZSA-N 452.533 0.355 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1)c1ccccc1 1839237213 VOFPWHNIIQLMJE-QPPBQGQZSA-N 451.527 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)cc(OC)cc1F)CCO2 1839332717 UJFPREVSVIGPOH-CHFIUFFRSA-N 479.480 0.902 30 20 JCED CN1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(Br)c(C#N)c4)CCO3)C2)C1 1839401495 LHQNYHKPRBEMDZ-NRFANRHFSA-N 477.359 0.952 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)c1 1839451519 XQCAXTAOXXZVLW-JOCHJYFZSA-N 468.470 0.742 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCc5ncc[nH]5)C4)C3)c2c1 1839489389 SLTRMWNKPPLKFB-QHCPKHFHSA-N 463.498 0.860 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839962200 XJSMQUUDROYYGU-NVQXNPDNSA-N 479.533 0.997 30 20 JCED CC(C)(C)OC(=O)N1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840045122 RSDUPXBIZMPKGD-HSZRJFAPSA-N 479.530 0.178 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1840108035 LWEMRQOEAXQWAJ-DRSNIGMVSA-N 455.552 0.683 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(I)cnn3C)C2)C1 1840160537 JZTVVXATKIVWME-ZBEGNZNMSA-N 494.355 0.413 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(I)cnn3C)C2)C1 1840173459 ZIFQXIRCUGISAH-QGZVFWFLSA-N 474.299 0.671 30 20 JCED CC(=O)Nc1ccc(Cl)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840785854 ATCWYGNNRFCHMC-NRFANRHFSA-N 463.874 0.456 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1840819156 SAHHCFITZYTEIO-SQJMNOBHSA-N 479.537 0.879 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(Br)nn4c3)C2)C1 1840841806 XDHGOZDPVBBMAV-HXUWFJFHSA-N 476.331 0.975 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840845187 MBPUKJFXAJFQRL-DEOSSOPVSA-N 478.590 0.409 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CC1 1843837737 AVBAGYGZTPIWBB-LANLRWRYSA-N 456.565 0.390 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)N(C(=O)OC(C)(C)C)C1 1848131321 VOBAYJIGNBETTQ-UGUYLWEFSA-N 461.519 0.352 30 20 JCED Cc1cc(N(CCC#N)C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1Cl 10906763 RIXWNSXSCIZJDA-UHFFFAOYSA-N 472.889 0.886 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 25345861 AHFDUOFAKMQXQB-UHFFFAOYSA-N 461.565 0.886 30 20 JCED CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 31138836 AOCLBTLAWJYUQA-UHFFFAOYSA-N 477.568 0.682 30 20 JCED C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 505362014 JXINERQOSZNEGA-KRWDZBQOSA-N 461.588 0.770 30 20 JCED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 560641400 YTKUOWWTJSEPRC-UHFFFAOYSA-N 464.525 0.925 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1 602251581 DHPVZHSXSGNLBL-GASCZTMLSA-N 488.522 0.943 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCN(CC(F)(F)F)CC2)CC1 603662139 KEOADGHQAWQRIZ-UHFFFAOYSA-N 473.521 0.961 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 729503775 YFFSDKUEULPJDS-ZDUSSCGKSA-N 467.525 0.982 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)c1 730664165 LLBAWWQUQGHCJY-FXBPSFAMSA-N 489.645 1.000 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)cc1 811833861 WKNPHRYOATWAHG-UHFFFAOYSA-N 473.507 0.861 30 20 JCED COCCn1c(=C(C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)sc(=Cc2cnn(C)c2)c1=O 838242711 MNLIKFPFKBZQOB-UHFFFAOYSA-N 494.577 0.268 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 917133428 OZECWIGWNIIDET-ZBFHGGJFSA-N 484.600 0.046 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCCCO3)c1=O 917768722 JLFVTJDWKYRHPP-UHFFFAOYSA-N 471.535 0.079 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 918583104 FGUCLDNUGNRNAK-UHFFFAOYSA-N 472.523 0.976 30 20 JCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)c1OC 919227659 VEOKQIBMGQIPFQ-OAQYLSRUSA-N 481.527 0.690 30 20 JCED C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)CC2)CC1 919967077 NCXRTZHMCJURIP-UHFFFAOYSA-N 451.545 0.861 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1517067816 SYXRHQBHRQVTAD-QGZVFWFLSA-N 474.543 0.211 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539804573 YMWVWSLZECOLHI-MRXNPFEDSA-N 490.030 0.010 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCN(C)C)CC1 1541803663 KRIBBSBNXXDBOF-QUCCMNQESA-N 496.682 0.623 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1555990935 NPSKFXMHAVILLY-QGZVFWFLSA-N 479.584 0.788 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCC(F)F 1608563906 MTINHPJGVVIUSN-UHFFFAOYSA-N 461.477 0.391 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1629454247 VSXPBPMBCPZUEV-HOCLYGCPSA-N 452.533 0.977 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1696593315 VMAXGFVAGMKBOA-HXUWFJFHSA-N 485.614 0.994 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1705687890 KXJZRTXXPCSSAW-UONOGXRCSA-N 464.386 0.992 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)CC1CC1 1706620186 UHCSKTNHZUIKOT-UHFFFAOYSA-N 486.602 0.834 30 20 JCED CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CCN1CCOC 1709328731 LXVBPMDDBWBEQU-LJQANCHMSA-N 461.592 0.913 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1709909892 ZWORXQGGFBDSKB-QGZVFWFLSA-N 452.519 0.763 30 20 JCED CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1729056835 SCADOBNMBIPIEM-QFIPXVFZSA-N 474.587 0.953 30 20 JCED COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1=O 1730778986 LSQXKTZBAPAYCO-PKOBYXMFSA-N 481.557 0.891 30 20 JCED CN(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1768481184 YQGHZCOOILOYSM-VAMGGRTRSA-N 495.650 0.850 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1778960157 STWYNXURHRSSEQ-JSMQRPJFSA-N 493.605 0.993 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1779237917 VSKSMOYSEIWDQB-HNQIHDJFSA-N 475.546 0.646 30 20 JCED CC(=O)N[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)c1ccc(F)cc1 1780536599 HRCOERQBCQKDER-JMUQELJHSA-N 459.474 0.605 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780934501 WKAIGPOZDWCSKB-DEOSSOPVSA-N 486.594 0.420 30 20 JCED CS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781902264 PTEMLRBSZTVBON-GOSISDBHSA-N 470.345 0.809 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783440408 FUNVUWGJGAKOKC-FIRPJDEBSA-N 476.599 0.798 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C[C@@H]21 1784484006 NPZUHXQIFODZCE-FFYZIMEISA-N 469.582 0.905 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1785571514 DUGYQVDAGSVYBI-FDDCHVKYSA-N 464.563 0.601 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccn3)[C@H]2C1 1785931480 RRXOWKSWQSIRPZ-BMFAXAFESA-N 457.531 0.987 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)CO2)C1 1786369170 NHFMQVMWWMNUOZ-XSLAGTTESA-N 462.547 0.906 30 20 JCED CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)CC1 1786726886 HSOGTSZVQCGTCH-GGWCFPGGSA-N 465.595 0.133 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C[C@@H]21 1788575448 JRNRZBXDQYRBHE-VDWQKOAOSA-N 458.559 0.753 30 20 JCED O=C(/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)NCc1ccco1 1788719984 GWIXINFHTMGQKA-YTIXLSLMSA-N 471.558 0.903 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)C[C@@H]21 1790794995 ZTFYOLPQPWDCHV-VMXMFDLUSA-N 459.568 0.761 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)c1 1791984686 KURLSHODELJARU-FBVAEJEDSA-N 475.509 0.952 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1792449647 MHYHDDGIMDPPNU-XVMXLUHGSA-N 479.574 0.232 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncn(C)n2)N(C(=O)OC(C)(C)C)C1 1794594026 WOTCDOGEYMFUSR-YVSFHVDLSA-N 460.535 0.584 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)[C@H](O)C1 1795417868 IXDGFSLWEGSBKC-MRGJAMOZSA-N 464.563 0.888 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744002 YEZKFTHTTPPVNB-JFFVILDFSA-N 487.576 0.934 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/O[C@@H]3CCCCO3)cnc2c1 1797812211 NXACIDDZLKHEMV-FKMLMQSASA-N 483.525 0.735 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1797865147 UJHLMWKUDJSLFI-XCRNZQRYSA-N 462.510 0.299 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1799302806 OQGFPFMWGOXDBQ-BKEDOTJMSA-N 474.514 0.092 30 20 JCED COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799882300 CVATUWNWPMPTCN-CWPLJXCYSA-N 463.498 0.794 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccc(C(F)(F)F)cn13)C2 1800777265 NKPHCXMDGHECGM-KSPBDQMDSA-N 450.373 0.644 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(I)ccc1F)C2 1800778480 AHLOCTXKZKFYEE-YQYWCBKUSA-N 486.237 0.722 30 20 JCED Cc1ccc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cc1 1802120614 DUULZYNMFPPAHQ-LWKACENSSA-N 472.542 0.843 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)cc1 1802579311 NHKWVAVEYWJVFA-XWGVYQGASA-N 463.538 0.852 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c(C#N)c1 1804190215 JRDSEGKZNPYAEU-KOSHJBKYSA-N 490.520 0.762 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)NC[C@@H]2CCN(C(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)n(C)c1=O 1804384977 BUYHXLQGJOMHID-FUHWJXTLSA-N 492.540 0.084 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1808270567 FAOPBAIWTIWHMR-MUGJNUQGSA-N 472.590 0.939 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C/N=C/c3ccco3)[C@H]2c2cccnc2)CC1 1809669225 OSBGPANQQIBFBM-MRDKPXSTSA-N 480.569 0.964 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1812713832 CGBCWWGCTDNZTM-GBXCKJPGSA-N 481.553 0.568 30 20 JCED CN[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1)C(=O)O 1819452176 FYQOPOBMGBBKDX-FVFYIAOASA-N 450.496 0.994 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1 1828579899 JOWFAQSPABVBBS-KBMIEXCESA-N 484.553 0.613 30 20 JCED C=CCSCC(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828969413 FEDWUYSIRNSTCN-HSZRJFAPSA-N 488.614 0.841 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829520029 UAVBCAVLRSUBAW-UFZNEBFXSA-N 467.910 0.729 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630931 DOKXPLGOQRKUAP-DVECYGJZSA-N 466.542 0.875 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)[C@H](O)C1 1829691450 LNEGKSLOIHVNCA-RHGYRFJNSA-N 492.573 0.364 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1829758252 WUAHJEZVKPCEIZ-YMHCHUIFSA-N 468.536 0.179 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830592301 NSAQCDZOUFSUKS-JKIXTWFVSA-N 465.547 0.130 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)C1 1830716195 XUSVRMFBXYXVTL-WZOHSFFVSA-N 476.570 0.731 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1831183757 SZNFLBIFOOYDPR-QKKBWIMNSA-N 497.474 0.957 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831207646 VKZRLGVDKSOMFV-SANMLTNESA-N 481.549 0.637 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1831433073 PHAANFQJGATMOF-GAJHUEQPSA-N 461.515 0.919 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)c1ccc(O)cc1 1831576334 NDQMAOUWVVHPDZ-WWEVIYMKSA-N 471.510 0.454 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC)N(CC)CC)CCO2 1831658401 FCHBZMJXPAGKKQ-JGYOEJGDSA-N 450.580 0.422 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CNC(=O)c2cccnc2)CCO3)c1 1832724449 SNMFIKBWWYDCFV-AREMUKBSSA-N 491.548 0.772 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccnc1OC)CCO2 1832999631 XHPVTUDHJKSSPS-QZOBCFMQSA-N 472.542 0.338 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(OCF)cn2)CCO3)cc1 1833566721 TZJMNLOCHGNDIE-HSZRJFAPSA-N 469.473 0.967 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](CC)NC(N)=O)C3)C2)c(O)n1 1833699225 VYAOWRXDYLZYIN-MBSDFSHPSA-N 475.546 0.423 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834599090 PFASZVZTMFHRSS-UUOWRZLLSA-N 489.525 0.626 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834599533 LOKPBJOUFJWULV-GOSISDBHSA-N 463.579 0.747 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)C3CCN(C4CCN(C(C)=O)CC4)CC3)CC2)CC1 1835495968 AEMQFVJPBHDGFC-UHFFFAOYSA-N 471.646 0.914 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1835677116 IVKDYLHJCZUTSN-HSZRJFAPSA-N 454.531 0.686 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CC2)CC1 1836859847 GVGNZCFMQLKEGT-HTAPYJJXSA-N 473.574 0.494 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1837443507 CWUJBMRRTNRAFH-JKJLQIMHSA-N 454.531 0.876 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(C)C 1837444239 UMHOPACFZAELDN-KHLOOKIASA-N 452.552 0.502 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837564307 GXMXUOMBLFTGJX-ZVWIGDQWSA-N 485.541 0.455 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838067059 AURDGWHVTCNTIY-JWGRYVKWSA-N 450.584 0.904 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 1838329744 LKWHIDUJMQWAOB-UHFFFAOYSA-N 455.467 0.718 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1839101578 QRENALLINLITSM-LVXARBLLSA-N 483.613 0.583 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCC)NC(C)=O)C2)C1 1839175848 IFQPPZDEKZIAJY-PGRDOPGGSA-N 453.536 0.257 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1839184988 JVJSHBJMORUWHU-HXOBKFHXSA-N 482.578 0.438 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO3)C1 1839203374 JTFNKOXNSGNXFW-WZONZLPQSA-N 467.563 0.685 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1839228525 GLBQCRZHSZFJHC-YADARESESA-N 474.558 0.982 30 20 JCED O=C1CSc2ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)cc2N1 1839578072 OGESIMIFKQRFJU-RVEDOPBZSA-N 499.549 0.908 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc5c(c4)NC(=O)CS5)CCO3)C2)CC1 1839578215 WQLVAQCVSSJEOT-NRFANRHFSA-N 457.512 0.500 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccnn1 1839710033 BAWGSKRUEVDPSX-NYHFZMIOSA-N 464.486 0.357 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4Cc5[nH]nc(C(F)(F)F)c5C4)CCO3)C2)CC1 1839738342 SMZOHWQZJGDQOG-ZUOKHONESA-N 467.448 0.903 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1839783334 AGSDJNCGBFQWCC-DENIHFKCSA-N 477.539 0.214 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#Cc5ccccc5)C4)C3)(C1)C2 1840004506 ZWCLVWHBNVLSJO-DDJHWDJXSA-N 452.507 0.838 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840016730 VMTZNEPDBJLKCR-XYOOIOGLSA-N 469.538 0.944 30 20 JCED CCCC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C 1840043046 FHOXLJUZUVSZSE-XMMPIXPASA-N 471.510 0.892 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(OC(F)(F)F)c3)C2)C1 1840044710 SQRANFFGHRZMNS-FQEVSTJZSA-N 470.400 0.672 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)CCO2 1840093289 XUBHHLJIKLCOKN-HXUWFJFHSA-N 469.947 0.098 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)cnc2s1 1840813904 CWAVEWMQIISPRU-QFIPXVFZSA-N 471.539 0.828 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1840906120 OZWJBJQNLPXHMH-XMMPIXPASA-N 465.510 0.695 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1841475811 FUFDNYGJPMVZTO-GOSISDBHSA-N 483.573 0.681 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259834 LZHFOGMLXPFMQM-ZZQPOVDQSA-N 451.568 0.937 30 20 JCED COc1nccc(I)c1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1844808633 LJNBINQCXAIIEU-UHFFFAOYSA-N 469.235 0.600 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(=O)N(C)C)C2 1846366054 NRGPBALQXIROFB-HNNXBMFYSA-N 481.550 0.084 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(CC#N)cc2)n(C)c1=O 1848150132 JJKMHBLYEUPWHT-ROUUACIJSA-N 475.509 0.015 30 20 JCED Cc1cc(NC(=O)CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 515122444 DOQRDMFWDUGAOR-UHFFFAOYSA-N 460.516 0.258 30 20 JCED CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 591587326 MBTWLNVWMKVAKC-UHFFFAOYSA-N 453.502 0.153 30 20 JCED N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)nc1 604195867 XQHBZGSFAHWXIX-UHFFFAOYSA-N 454.512 0.036 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)c(F)c1 608828184 KHSFXKMVNRMQSA-UHFFFAOYSA-N 454.483 0.707 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)CC1 728533875 COFJGQCWSDAMIQ-UHFFFAOYSA-N 468.579 0.981 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)CC1 728573568 QRKVASPEUBECRF-RGEXLXHISA-N 487.557 0.345 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCS(C)(=O)=O 729673128 UDDBKOUXLUGKAI-UHFFFAOYSA-N 481.571 0.058 30 20 JCED Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 769725827 GBQHMZNYSOHVJC-UHFFFAOYSA-N 458.496 0.785 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 858085679 ADWSZAPXWXIJFI-ZWKOTPCHSA-N 462.572 0.990 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(NC(C)=O)c1 913151824 ZBXSDDMHLHKPJC-UHFFFAOYSA-N 480.550 0.247 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(S(=O)(=O)N(C)C)CC3)nc12 914567545 AUNPOVAQAFBHHB-UHFFFAOYSA-N 463.589 0.748 30 20 JCED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 920000523 FSTPJILSBUJJOK-JKSUJKDBSA-N 450.561 0.895 30 20 JCED COc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-] 920904785 IBFHJJPQIDQTMI-UHFFFAOYSA-N 456.415 0.496 30 20 JCED COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCN(C)C1 1316100071 QVMPJPYVXCLQPT-NRFANRHFSA-N 462.576 0.782 30 20 JCED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1518265622 RMPIMTVCAOASCV-XJKSGUPXSA-N 450.521 0.683 30 20 JCED CN1CC[C@@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1554357908 JPXJBWGCTMUYOR-UGKGYDQZSA-N 489.602 0.186 30 20 JCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)[C@H](C)C1 1690840414 MYJVIWQXOVJBAH-QVKFZJNVSA-N 458.544 0.423 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)n1 1707832147 YZYVUFCXAADYSD-INIZCTEOSA-N 465.484 0.995 30 20 JCED CCCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1709849750 SKJZQSNRKWDQOS-UHFFFAOYSA-N 451.535 0.520 30 20 JCED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1730734056 GXDVCORDDDTTRI-HXUWFJFHSA-N 455.563 0.828 30 20 JCED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1745802045 ROHXMJRBEPMJHQ-UHFFFAOYSA-N 475.575 0.727 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1778970609 GMHKTUSLSVKROC-XMSQKQJNSA-N 465.572 0.643 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1779037652 HBVVSDTWDSOELF-JOCHJYFZSA-N 459.572 0.423 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1779397991 ALVRWGIEFUQJIF-WZONZLPQSA-N 457.527 0.124 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1780220008 BQFZXKMXEXITTA-YOXWTLATSA-N 458.906 0.913 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1781161895 SRZGRRWWQBHUDX-GAJHUEQPSA-N 474.562 0.955 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781352053 WYODGAIEZBQQDC-UZUQRXQVSA-N 481.594 0.374 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781961210 HILGMBWRZMVKDV-XOBRGWDASA-N 452.508 0.469 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783152133 RCZFVVOLTQJITB-NTKDMRAZSA-N 472.542 0.953 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)CC1 1783165706 TVBUZLWAGBLIEI-OSPHWJPCSA-N 489.573 0.493 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1783918439 CTWFPAHJVXPFGQ-IHPCNDPISA-N 469.925 0.986 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)c1ccc(O)cc1 1784013094 SHZSZBHFDNHXJJ-NSXLHWASSA-N 473.526 0.784 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1784155908 NCKBSTAZZIZJLL-HMLKYZKVSA-N 455.511 0.704 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1784785798 MVSMHFMMRWITJR-ATIWLJMLSA-N 481.594 0.028 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785305684 YVCGMUXPEWTYDY-JTSKRJEESA-N 452.552 0.812 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1785518122 UULYXCIZDBZGIF-MNVSYLFESA-N 459.565 0.591 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1785571805 DKRISFGZPRDWQV-UZUQRXQVSA-N 475.546 0.789 30 20 JCED Cn1ncc(I)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1787777770 ZGFFMEIPLBZIEM-OBJOEFQTSA-N 483.310 0.922 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1788591707 VNFAVZTXUMXJKU-XSLAGTTESA-N 462.623 0.615 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1789808678 OSJXAAJUQIBGAN-HLXURNFRSA-N 479.574 0.232 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1789838828 YXGOBHUGZDRFNU-HVTWWXFQSA-N 478.590 0.797 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Br)ccc3O)C[C@@H]21 1791079035 XAOKVOSOBUVADW-PJODQICGSA-N 451.273 0.836 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)cc1C#N 1791396555 MPSZURAIRLXNRN-CUWPLCDZSA-N 480.521 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1792484778 PVVMLLDYGFYKFS-KTHFTNCJSA-N 490.557 0.013 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O)c1ccc(O)cc1 1793946390 KPNFQSFBGNQERV-DAOUZZFVSA-N 468.510 0.077 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)c1 1794088303 DLUOZHDLWSCURY-WKCHPHFGSA-N 458.584 0.859 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)C=CC2=O)C3)c(O)n1 1794490951 POFIRTWOWOGMTR-USGNIVHTSA-N 454.483 0.034 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795407956 JMYIVHDGKLEXKY-IECFSIQFSA-N 462.547 0.904 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 1797115247 BAZJWIIEGMMPMS-OUUBHVDSSA-N 479.574 0.640 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1797948147 WJDQTOGAFVQULO-ONMISFSYSA-N 498.646 0.868 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)c1cc(C#N)c[nH]1)C2 1798695211 WINBKUUNCRCSIC-LJCCNALRSA-N 480.525 0.725 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1799232599 RYMDOOCSSKSJNT-AJYBTWMASA-N 474.562 0.565 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1799232734 ZGHFEVAEHROHGM-AJYBTWMASA-N 474.562 0.565 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)CCOC1 1799335503 VAKFQVHTEDYITQ-VTLVOZJLSA-N 490.557 0.972 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1799365125 UPMSUVAEBRJKBQ-WEMPKCCASA-N 493.601 0.550 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799746606 FAICXWUQCSYMDW-NTNQKNOYSA-N 466.473 0.509 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1802036945 LMHLBMDTCFLYFQ-WOUAJJJCSA-N 452.515 0.943 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)C2 1802124843 LUKDLCSOMIKBFQ-YJVQVXSTSA-N 477.480 0.806 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)[C@H]1c1cccnc1 1802499896 VUPBBSPKQNNNCJ-AYHLBBAPSA-N 458.515 0.562 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](COC)NC(C)=O)C2 1804375950 BVAKUSHKYFBVLK-ZRSRNVLSSA-N 464.563 0.692 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1808271372 BEBMPQPGRSDFJI-YLRDJVGTSA-N 452.471 0.461 30 20 JCED CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1810306129 HCVKKVDXHMRRAV-HKUYNNGSSA-N 459.620 0.853 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)COc2ccccc2C#N)[C@H]1c1cccnc1)C(=O)C(=O)O 1812393412 JXZGBIZJDXGUFQ-AVRDEDQJSA-N 479.493 0.581 30 20 JCED C=C1C[C@@H](C(=O)NC[C@H]2CCN(C(=O)C(O)O)[C@@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1813164771 ZWGNOTLWQSUUCP-FGTMMUONSA-N 460.531 0.964 30 20 JCED CN[C@H](CC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1)C(=O)O 1819899776 ZFQOUHLLOOPQDZ-KXAYJYFMSA-N 453.521 0.647 30 20 JCED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)c1 1822028936 OLBWAMSLMYIRAJ-GFCCVEGCSA-N 461.467 0.680 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNC(N)=O)[nH]n1 1823515877 DPRVUHMBPDPGEM-UKRRQHHQSA-N 461.523 0.987 30 20 JCED Cc1cn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=N/O[C@H]2CCCCO2)CC3)c(=O)nc1O 1827994616 PGSKMFWTDJKZED-JQGNUACPSA-N 490.542 0.855 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1828029316 BFDXEJXJPQNLJI-UONOGXRCSA-N 456.528 0.599 30 20 JCED CCS(=O)(=O)CC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828802952 CUQGWRDOIWUTFI-JOCHJYFZSA-N 476.555 0.787 30 20 JCED O=C(C#CC1CC1)N1CC[C@@]2(C1)CN(C(=O)COCCO)CCN2C(=O)OCc1ccccc1 1829222922 ANLSJDNLBDRUCD-RUZDIDTESA-N 469.538 0.861 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1829342794 OHPXCWGKTFLHCO-TXBYWVTISA-N 491.614 0.350 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1829769964 ABXZPLBFYLFWLK-LXHZQTKUSA-N 480.468 0.172 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829899005 QERHIGPOIPMRHD-XMMPIXPASA-N 456.543 0.719 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)cc1 1829902441 RLXMQEBGOXGPJB-OAQYLSRUSA-N 454.443 0.502 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1830573860 RLOVVZBPNZGSDA-QRWLVFNGSA-N 477.505 0.540 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OCc3ccccc3)C2)C1 1831402149 PHLQEDLFNZTDLV-RNHFSVANSA-N 487.553 0.796 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1831412281 JEPWQOBUSNLZIU-YADARESESA-N 499.605 0.701 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1831427265 RCEVMRSQDJLQQL-GYCJOSAFSA-N 496.524 0.232 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1831438653 URRQNPKYKXOVLE-AVRWGWEMSA-N 483.521 0.777 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832047213 QZPWRYGEDLWSFT-MHECFPHRSA-N 493.605 0.734 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)CCO3)c1 1833028461 PIJIMDAHLYVRSX-BVZFJXPGSA-N 493.520 0.635 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)c1ccc(O)nn1 1834070266 QURULVQWNKNGJP-VQYZLWMVSA-N 460.535 0.896 30 20 JCED O=C(NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1ccco1 1835098470 LJUWTWCBSKOMGW-XMMPIXPASA-N 451.479 0.518 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835390401 USKZLMIPXFACCE-DQMJNTIXSA-N 480.606 0.864 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1ccccc1=O 1835677205 BGINSLOOBPGGPZ-JPYJTQIMSA-N 459.547 0.148 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1noc3ccccc13)CCO2 1835977538 FTDUOIDGYIPRIZ-WEHRJKGCSA-N 468.510 0.685 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1836526256 PYLGBFIPPYFUJV-NLFFAJNJSA-N 484.553 0.809 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1837397711 SMOSBHMEGVVZLS-JPYJTQIMSA-N 461.515 0.496 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1837399013 LKGFSBHKFABLBD-FDDCHVKYSA-N 457.531 0.681 30 20 JCED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c(F)c1 1837441066 PMPXLTRLBBEZAA-WGBQGACBSA-N 463.510 0.771 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cc1O 1837524382 AIBFQJORIZMHGU-MAHKGVPUSA-N 491.541 0.929 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)no1 1837529438 UPWDBRJHGREDJN-CYSJGKSUSA-N 493.517 0.297 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838415797 XOUMFHKDTHYCJM-DEOSSOPVSA-N 478.530 0.878 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1839044451 GSFXQJVWLLDNTI-QFIPXVFZSA-N 460.556 0.151 30 20 JCED CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)C1 1839068865 LQVMDOMAIUIPTI-YKSBVNFPSA-N 456.543 0.735 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1839109663 PIBIHVOSXLSEGF-JKSBSHDWSA-N 453.536 0.247 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1839130703 OROPPEMYIIOUFJ-MHECFPHRSA-N 494.589 0.276 30 20 JCED Cc1ccn2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)cnc2c1 1839601251 NDPHGTRXJNUCQZ-DEOSSOPVSA-N 468.558 0.995 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1839622479 HEKOCFCZFSZXLZ-DEOSSOPVSA-N 457.575 0.982 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3c(C)cc(C)nc13)CCO2 1839625621 CKINMPHCQIGMNM-ASYDGFSTSA-N 481.553 0.880 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1839652513 IOTBPDVIXLEGTL-QFIPXVFZSA-N 479.002 0.632 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)CCO2 1839697602 ZGTJMVOUGORWTJ-YMCUYEEGSA-N 451.545 0.847 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C1)C2 1839739370 AIMBEFZYKUUSBE-IQGLISFBSA-N 499.568 0.772 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840036848 MFNARXSKVBKHIJ-CNVLFFCLSA-N 495.580 0.635 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840483046 OAQIPZUFSGYYCP-ASPARNDVSA-N 462.503 0.193 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1840909125 NCWWFQDDOBYWNR-YCRPNKLZSA-N 463.491 0.056 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840909126 VESCRYSFTPSYAX-YADARESESA-N 489.573 0.336 30 20 JCED CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840915075 IZNVMKUFYKMPAO-GAJHUEQPSA-N 481.546 0.470 30 20 JCED COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc1C 410008960 CBRLJGGPPNSXON-UHFFFAOYSA-N 497.573 0.775 30 20 JCED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 491739588 KXTHCZJZIWSEGZ-UHFFFAOYSA-N 484.581 0.162 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)ccc1F 517921880 UBLKINIZEJJHDN-UHFFFAOYSA-N 492.598 0.468 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 523090288 WZEALKLUFRKJQY-UHFFFAOYSA-N 471.535 0.809 30 20 JCED CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 552979645 NLQADLZMTMISFZ-UHFFFAOYSA-N 464.569 0.981 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1CC(C)C 590913576 HZWVGIQDNPUGCE-UHFFFAOYSA-N 459.524 0.569 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC(F)F)c(C)c2)c(=O)n1CC(N)=O 608911503 GWIJWLBEAGLBHD-UHFFFAOYSA-N 494.520 0.269 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCc1ccccn1 726182521 WMWUHSDEERWCLP-UHFFFAOYSA-N 469.592 0.968 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3c(C)nn(C)c3C)c2=O)cn1 726960935 CQHLYZXVYGLLHX-UHFFFAOYSA-N 466.567 0.928 30 20 JCED Cc1nc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cn1C 727014031 QHGKBFQBNBPTLR-JTQLQIEISA-N 451.530 0.999 30 20 JCED Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)ncnc1-2 729460771 DIEMAIWXFKMZDU-UHFFFAOYSA-N 481.318 0.981 30 20 JCED COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 745534914 HWQCCGZSDCHQHV-LFIBNONCSA-N 467.525 0.638 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc2c(c1)OCCO2 797655175 CSZIKYZECZWWND-UHFFFAOYSA-N 477.546 0.826 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1 811833764 QZJHZASOVXTFNY-QHCPKHFHSA-N 498.517 0.643 30 20 JCED CNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cn1C 917748309 DEJQYMZHWODYKU-HEHNFIMWSA-N 453.546 0.998 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCc2ccccc2)cc1 918270133 ISFQIDITYOYZEM-LGUFXXKBSA-N 471.539 0.871 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 920467557 RPEHDXZIEDJCBF-MRXNPFEDSA-N 486.550 0.946 30 20 JCED COCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCOCC1 1504650568 WTDUZPMSVOQOIU-GOSISDBHSA-N 482.607 0.794 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1516810258 VIADRGYVEXENPP-INIZCTEOSA-N 482.588 0.359 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1517629414 RTAMPAIXHOGLDR-CQSZACIVSA-N 455.338 0.986 30 20 JCED CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1613442460 RXCGYDBMQWHIPB-DFBJGRDBSA-N 480.617 0.920 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1692848804 WIDOAKGTYHBCET-JKSUJKDBSA-N 486.620 0.176 30 20 JCED CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1711213154 XWJZXTXASFUEDO-GJZGRUSLSA-N 454.553 0.776 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1711422074 MOMXQOOSPHDDQG-LJQANCHMSA-N 490.611 0.895 30 20 JCED CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1761258715 ZZSMCAPQYWBRGQ-UHFFFAOYSA-N 450.547 0.742 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C/N=C/c3ccco3)C2)no1 1779442891 QJSOMWVSPNMLIT-SEBDPMNHSA-N 471.514 0.939 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1781294828 JZZVFOOQSPXDQJ-PNLZDCPESA-N 452.552 0.810 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1781400856 QJEPYGUJHLUXLP-HRAATJIYSA-N 466.560 0.871 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3sc4nccnc4c3N)C[C@@H]21 1783530986 BBCQGRMCUIHZHU-LSFZBXBFSA-N 470.555 0.725 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783912351 HXDJFZOCCICCJI-AOMKIAJQSA-N 450.536 0.389 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784253008 COPBHFCGHVBQIU-QVKFZJNVSA-N 454.524 0.642 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C[C@@H]21 1784477782 MWRFYNWIFJUNRL-DEPCRRQNSA-N 479.574 0.640 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1785304692 MZZMMWMCDIYVAU-NYHFZMIOSA-N 463.535 0.552 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1785334022 DYFLDXOWKACKBP-DYRFGFBLSA-N 450.536 0.590 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785505863 NNXRAOXXQGVIBM-OFQPZAPFSA-N 457.483 0.505 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21 1786857852 BJWUQHHYJZIHJU-ZWOKBUDYSA-N 453.547 0.693 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccn(C)n3)[C@H]2C1 1787048619 VKRULLVIYXGPFS-FFGOWVMKSA-N 473.574 0.859 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788659250 GLCPFZFSPACJCJ-AZYCVXCNSA-N 459.547 0.460 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 1788660965 RUVLKELZCQMLJA-FODOPFFASA-N 461.519 0.788 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCC#N)C[C@@H]43)c2n1 1790704232 VFHXSCROXHJZJF-JYJNAYRXSA-N 498.544 0.410 30 20 JCED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c(F)c(OC)c1F 1791078132 MSENPLLGZNNOQH-WHOFXGATSA-N 452.410 0.663 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)[C@H]2C1 1791229334 PGELBSOIZMGYGV-MICHWDEPSA-N 459.543 0.580 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791379279 YUWKIXOBECGBBH-CAMMJAKZSA-N 487.557 0.929 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]32)cc1C#N 1792057654 XPMRCASCOSPEPT-ROPHOZQPSA-N 471.558 0.532 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)[C@H](C)O3)C2 1792489732 NGQMITUXDFBHSN-SCTLLDFMSA-N 468.510 0.468 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1792834311 ASMNRZAGTPHLSF-CCWDJLKJSA-N 455.835 0.006 30 20 JCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCOCCOCCOCCOC)C2 1793570512 NPWXDUHEBLQCON-BURNTYAHSA-N 454.564 0.749 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CCN2CCCC2)nc1 1796502329 AGSOLYHRPSJQDX-OARVKMRDSA-N 481.597 0.782 30 20 JCED Cn1c(=O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)nc2ccccc21 1797812510 UWDZZGYDLSEVJK-VDNFSCKISA-N 483.525 0.666 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 1798691237 HMUIOUCISNVHDW-OPMZPASUSA-N 477.521 0.870 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1799331646 YGTSJAUFVOULLW-HSFPKCAOSA-N 492.573 0.118 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(-n2cncn2)c1 1799774753 OZZSCADLLGXRCJ-OPVJXMOQSA-N 451.531 0.752 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773807 SXNASWVMOLWOJH-BMQTXXJKSA-N 486.525 0.195 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C2 1800989337 GDLSXJMNPCGWQX-XLMAVXFVSA-N 456.609 0.447 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801069908 OQJJPQIKHHHIPW-GQUPQBGVSA-N 490.601 0.799 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)n[nH]2)C3)N(C(=O)OC(C)(C)C)C1 1801104146 ZSARSSKZILQMSB-KPEUIFRASA-N 461.519 0.884 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)C=CC2=O)c(C(F)(F)F)n1 1801117936 CJVNIBNJBMOIOS-KSPBDQMDSA-N 477.399 0.100 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1802049864 SFXFULQWSPWVFP-KOCGSJPCSA-N 463.531 0.701 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)nn1C)C2 1802124667 DQAVSDAJQIWXDF-RCJHGTSTSA-N 475.546 0.549 30 20 JCED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)cc1 1802578581 VZOOAQRHNHZBQN-DENIHFKCSA-N 471.454 0.927 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H](NC)C(=O)O)C2 1804374610 YHNZDJLKPQJGDI-QEOTZNIISA-N 450.536 0.604 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1807956503 INIXJEQMTGFRHL-NYUBLWNDSA-N 486.525 0.403 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)[C@@H]2c2cccnc2)CC1 1809600668 URKADQCZDAHZPZ-HAPHPJDQSA-N 472.590 0.864 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1810248682 GWEGGYKKOTUOHX-FUDKSRODSA-N 471.602 0.825 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810291572 HYPHEGXEISCFCV-YOZSFDKUSA-N 464.530 0.762 30 20 JCED CN1CCN(CC(=O)N2CC[C@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2c2cccnc2)CC1 1810358151 PLJPQMDNAQATIM-BDRYNWNMSA-N 472.590 0.864 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1810850008 XWOGRMVUXDCFMB-KRWDZBQOSA-N 463.531 0.942 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1812717400 RIDOWWVPFDDJDD-ISKFKSNPSA-N 465.554 0.754 30 20 JCED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1815799322 CHGHIAMKQKLVNU-HNNXBMFYSA-N 466.502 0.263 30 20 JCED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(=O)n4[nH]nnc4n3)n[nH]2)cc1 1817812769 KLWPFXMDMYTEKL-QGZVFWFLSA-N 472.469 0.956 30 20 JCED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1820966423 HVMNGWYXZDKQLT-DOTOQJQBSA-N 468.580 0.933 30 20 JCED COCCOCCOCCOCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1823067660 WCFZWTIIZBLXCC-OAHLLOKOSA-N 483.543 0.229 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1829465622 ABRWYCFSPJKUGK-NTKDMRAZSA-N 454.527 0.986 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccccc3N)C2)C1 1829765034 FGDPBBSKFNLWSH-VTWFOPJWSA-N 454.527 0.597 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1830346426 NBNYBISXNXOTFO-AMFJNGDOSA-N 457.483 0.940 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1830465656 PJBFGVCLQDUYIA-JOCHJYFZSA-N 487.900 0.953 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213552 SWYDQWFHBRJDER-JPYJTQIMSA-N 464.563 0.098 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1831345745 OVKAAMUMPFFIPI-QHCPKHFHSA-N 493.582 0.850 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1831420358 XNCSEQGQMUXTNW-SYJLOODJSA-N 476.530 0.040 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831965951 OPCAALVLMQUHHC-HYBPMGLISA-N 468.457 0.959 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1833198760 HLEHADVLMOIRJY-QKUXODNTSA-N 463.535 0.505 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833280824 KHIMIEXVFKVTQY-NTKDMRAZSA-N 488.541 0.307 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1833303896 DJMJXJIEUCLOLV-VWLOTQADSA-N 477.521 0.755 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1833475289 MBTRAZADJADPOC-LJQANCHMSA-N 463.623 0.313 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C(=O)OC)CC4)C3)C2)c(O)n1 1833699678 IMADSNFXSHFBIG-QHCPKHFHSA-N 473.526 0.929 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834299671 KXKMZEBBEQSDPM-SBUREZEXSA-N 473.530 0.463 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)(C)C 1835675346 ORAJSOFHBLUOAX-JPYJTQIMSA-N 465.595 0.275 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1835676861 DNZIZMOGFNRCTI-QFIPXVFZSA-N 455.519 0.081 30 20 JCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1836516130 VOVHFDCBEJXYGO-FHLIZLRMSA-N 497.687 0.056 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1836770138 STRNMEIILGODFN-LQGLAIQGSA-N 493.601 0.864 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C3\C(=O)Nc4ccccc43)CCO2)C1 1837321749 VCSASCLEKABDOD-FUAKANCLSA-N 453.495 0.517 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837482646 XXYKFGREOGIJEE-IZBUAYHCSA-N 476.534 0.262 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837490609 ITIJMBYGXLUWOZ-XMMPIXPASA-N 457.527 0.859 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1837605510 AZRXNBNTZGPVEP-XPIZARPCSA-N 465.576 0.006 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)c1 1838580901 VYJIWBWKRLFYFS-QFIPXVFZSA-N 453.455 0.446 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c1 1838582576 UBJXVOLBYILURM-JOCHJYFZSA-N 456.455 0.431 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732648 XYEOHKBOGHCCDJ-JOCHJYFZSA-N 487.538 0.210 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(O)n4)C3)C2)c(C#N)c1 1839131644 QDOUSMNDZOYUTC-XMMPIXPASA-N 466.494 0.980 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1839165629 PZKZAFFVRJCCBM-IEGUWTFLSA-N 482.578 0.437 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839387723 SCMDQEFQVDNFJT-YADARESESA-N 488.541 0.666 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)COCCO)C3)C2)cc(C(F)(F)F)c1 1839443671 STPRYQJDKNIYPG-FQEVSTJZSA-N 471.432 0.656 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-c4ccc(O)nn4)cc3)CCO2)C1 1839469887 MULPNEZCORODGT-IQGLISFBSA-N 480.521 0.958 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839622954 FICWGITUCCJYRV-JXFKEZNVSA-N 451.524 0.893 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]3OCC[C@@H]3N(C(=O)OC(C)(C)C)C1)CCO2 1840036232 OUYVCEAXKZBHMA-XMODTWTHSA-N 477.558 0.491 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1840108040 LWEMRQOEAXQWAJ-JLHGSKIFSA-N 455.552 0.683 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1840168672 YAGUHFBWJAZMNQ-UMEGOILYSA-N 493.601 0.864 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1840228836 OPSHRDUCNPTBLL-XFAGBWLFSA-N 494.589 0.438 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)ccc1F 1840232497 YWWYNUJURORPEF-SBUREZEXSA-N 458.490 0.222 30 20 JCED CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1840799489 YLFYIRBCMHIREQ-XCNDVJPKSA-N 493.557 0.614 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840811648 RJPYLRWQQPSKIK-QFIPXVFZSA-N 461.540 0.854 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819899 MXMOTESPLGHHCX-GBXCKJPGSA-N 457.527 0.967 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1840907466 VZERHDIZMCKNNN-DVECYGJZSA-N 489.573 0.715 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1)C(C)C 1842808494 IRYMKQUWJAOOTG-IRXDYDNUSA-N 459.547 0.865 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845832021 GWXHVEGWEOKEIB-DEOSSOPVSA-N 455.511 0.543 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CN(C(=O)c2ccccc2OC)C1 1847259005 RLPPORBQPJBICW-IQHLRMOPSA-N 466.538 0.827 30 20 JCED CC(C)C[C@@]1(C)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 503735180 MCVVRBKYDBZDRH-OAQYLSRUSA-N 461.544 0.748 30 20 JCED COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 521732698 SBXPZGKJKUATAE-UHFFFAOYSA-N 478.509 0.722 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cc(OC)c4c(c3)OCO4)c2=O)cn1 523859751 DUYRQVZMHGKJEK-UHFFFAOYSA-N 479.518 0.634 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O 589157275 UXZXOOCPDSTBPE-LBPRGKRZSA-N 454.487 0.233 30 20 JCED Cc1nc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cn1C 726770048 KGVOWYCNAVEMPI-CJLVFECKSA-N 468.561 0.458 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 728533156 BPKREIXOAIIIOD-KRWDZBQOSA-N 452.602 0.351 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)c1 731130233 JEFBNBGOVLLWTH-KOEQRZSOSA-N 492.558 0.276 30 20 JCED CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 760371638 AJBKKNYVWQWBAO-INIZCTEOSA-N 451.501 0.837 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)c1 820844685 LSDPROXLWMFCMG-INIZCTEOSA-N 459.528 0.835 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)c1 918254747 MHTIYOCWEMAAHL-ZLVLUESYSA-N 462.528 0.998 30 20 JCED CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1502361709 NMGWGSHZSXUQEH-CQSZACIVSA-N 458.548 0.820 30 20 JCED CCNC(=O)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCC1 1515975005 USABUHHLLQYDLD-RDJZCZTQSA-N 478.623 0.371 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1515992734 XPGMTAHFYFENJQ-YTTGMZPUSA-N 455.588 0.986 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1516829598 ZIFUDZLCYJZWBI-PBHICJAKSA-N 462.573 0.294 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1611707853 ZSJNNFVDBLALQE-KSSFIOAISA-N 490.565 0.843 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)[C@@H](C#N)C1 1621715855 YXFNBQMBVRWRST-INIZCTEOSA-N 450.517 0.967 30 20 JCED CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1691593176 XBYLNKHFTCXGHH-UWVAXJGDSA-N 454.572 0.979 30 20 JCED CCOc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1696156996 JPUXEJRSUGOWQG-RTBURBONSA-N 476.559 0.787 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C)CN1CCOCC1 1706820819 GDAROBZBILCGSE-ZIFCJYIRSA-N 480.639 0.033 30 20 JCED N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCS(=O)(=O)N2CCSCC2)c1 1731179116 NSNNWCDRRZCHDD-QGZVFWFLSA-N 475.600 0.507 30 20 JCED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1731187436 PUNONSHPSSRIBB-GJZGRUSLSA-N 464.573 0.966 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1743207935 MYDBPRFEWLPVSG-VWKPWSFCSA-N 492.581 0.999 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1761234317 KHVNOXUGCSEMFI-HSZRJFAPSA-N 470.553 0.820 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1765597900 JEGDHODRCYQLBE-INIZCTEOSA-N 467.596 0.513 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1766881436 YCDVNHSJAZRKEO-UHFFFAOYSA-N 476.545 0.180 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1768526328 NJUICPUFAPKAIN-IBGZPJMESA-N 473.603 0.867 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1769912995 WWCWZWVCMPMTFM-VQTJNVASSA-N 465.507 0.954 30 20 JCED COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1770934092 VGGCJOYODRYBII-UWJYYQICSA-N 461.544 0.751 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382159 RGJCBZKMIJHEEZ-DEOSSOPVSA-N 478.509 0.411 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1778970026 DDHQUMKCRXYGHM-WJONJSRFSA-N 455.552 0.275 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779134903 PVJJCTHPADWKJP-OQQYJVMASA-N 469.498 0.535 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(CC#N)cc1)C2 1779200040 JFCUAHSHZUVZMZ-KKLQWCBXSA-N 458.515 0.945 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1780045999 TVHKMUALGXXIGE-CHFIUFFRSA-N 466.498 0.742 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)CCOC1 1780762374 WLNBJLWEWOAIBJ-ZGNKEGEESA-N 479.530 0.272 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC[C@@]4(CN(C(=O)C5(C#N)CC5)CCO4)C3)C[C@H]1CO2 1781063178 PGSQJWWSEMUXFV-GMWOSMDTSA-N 460.531 0.898 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)Cn2cncn2)CCO3)c(C#N)c1 1781174013 ZABNQTUNHJVTKW-UZUQRXQVSA-N 452.515 0.867 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c(C#N)c1 1781175815 BPTPVLSAGAGPCX-SIKLNZKXSA-N 461.540 0.516 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781421768 UAKAIAXIHLXRHE-JPYJTQIMSA-N 474.562 0.805 30 20 JCED COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1NC(C)=O 1782013570 WPXDDRUNJCZGDT-AUSIDOKSSA-N 457.483 0.869 30 20 JCED O=C(O)CSCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1782223289 CGKQAQGAPGKJCH-GNCOGQJQSA-N 457.549 0.847 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783684296 AMGKLVGRUYLCJR-QAETUUGQSA-N 480.562 0.972 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1 1784407941 SXBLHLGBHWKOBH-NXOAAHMSSA-N 452.552 0.572 30 20 JCED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622365 FYNOKYSLXBWGGM-OPAMFIHVSA-N 467.567 0.734 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787092519 ZFVZBUMPJJTRPB-BURNTYAHSA-N 497.556 0.524 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788557378 VLDTYKQTWHXOKQ-HUUJSLGLSA-N 497.552 0.713 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1789891094 BADPNKYKZWBSCK-IHRRRGAJSA-N 450.410 0.581 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1CNc3ccccc3O1)C2 1792490264 RVMFSFVVIKHMHE-WWQMNQQOSA-N 454.527 0.698 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792779492 COWCFAOLSDYSMX-MMIASXOFSA-N 473.570 0.329 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc(C)c(C)[nH]c2=O)c1 1794311487 QSXZHGRDERZPEM-IZZQQSIFSA-N 451.483 0.784 30 20 JCED COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1795357857 UVNDCLNRHBLPJK-CYGHRXIMSA-N 489.635 0.841 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)C 1795713226 HNVQWBANYOFNJD-AJYBTWMASA-N 450.580 0.881 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nc(C)no1 1795813844 YBCLUAMQZYOGTE-YYAJDYIMSA-N 463.535 0.980 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1796298465 OCKMJLVOLJCGDE-IIZPIQPGSA-N 486.569 0.966 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1796452346 WTJFOSAGPAYLEP-LVEJAMMSSA-N 450.536 0.810 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1797786216 SWTFUMCFBQXDEB-ADYITMSISA-N 471.510 0.575 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1798357890 HCJNTSLYDIUGCP-YYIAUSFCSA-N 492.529 0.518 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC(=O)c2ccccn2)C3)c1 1798579779 PZKIRKQDGRXLQJ-XCRNZQRYSA-N 477.521 0.984 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNCP(=O)(O)O)C3)cc(C(F)(F)F)c1 1799784591 BBNQJKAPQQZKOH-XOIINTDNSA-N 490.375 0.505 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H]1CC(c2ccccc2)=NN1 1800154672 GHELVOLNJZQKJN-KYELBMCYSA-N 469.542 0.871 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)[C@H]2OCC[C@H]21 1800768351 DSINIZINRZHRIJ-UDFCFZJOSA-N 474.558 0.904 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1802957873 HTAIPIYFVPHSST-ZEQKJWHPSA-N 479.581 0.878 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1807026877 VAWRBICUTPPUJE-LCGYWOAMSA-N 483.462 0.341 30 20 JCED Cc1cc(C(=O)N2CCCC3(CCN(C(=O)C#CC(=O)O)CC3)C2)n(-c2cccc(=O)n2C)n1 1810265960 MFUAREBWRKUNFC-UHFFFAOYSA-N 465.510 0.812 30 20 JCED O=C(CN(CCO)CCO)NC[C@H]1CCN(C(=O)/C=C/C(=O)c2cccs2)[C@@H]1c1cccnc1 1812715570 VYHCBNIHUCWBKN-JHGPDTEOSA-N 486.594 0.875 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812880060 WJRHDRJKRPINAH-RYLXDESZSA-N 486.525 0.546 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817363754 XTJNQWSGUAMTQZ-YQQAZPJKSA-N 489.577 0.911 30 20 JCED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1cc(=O)n2[nH]nnc2n1 1817815522 IIVNPHAHMIFXKT-LKKXKRCMSA-N 464.446 0.554 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=O)c1cccnc1)CCN2C(=O)OCc1ccccc1 1828632054 BJRFFGAUGBOAQS-SANMLTNESA-N 489.532 0.897 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)n1cnnn1 1829635692 MFCLMUOSALISIZ-JTSKRJEESA-N 453.503 0.195 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C3)C2)C1 1829675367 ZRRXQYVKUWOULQ-UUOWRZLLSA-N 495.573 0.865 30 20 JCED C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1829807050 GXUIUEABVWAQQM-DVECYGJZSA-N 472.590 0.730 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830462833 PZASWZOPUVFWBP-ZEQRLZLVSA-N 473.526 0.563 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832004726 LNJAPUJQOREAEI-IECBHUPTSA-N 495.573 0.117 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1833857157 GIRANUMYNRTIOX-HSZRJFAPSA-N 453.499 0.613 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834330048 AZRPESVGVVLQTM-UZUQRXQVSA-N 475.546 0.407 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835529553 YEJIVBVJBIPDHE-GLDPYIMESA-N 480.606 0.734 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1835530299 HWCFTRUSVQVEHM-STSQHVNTSA-N 468.595 0.897 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCO2 1835539510 NWDBQKPPACJKQI-HXUWFJFHSA-N 489.582 0.219 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1835644464 OTIKLCDSFYMOKH-PKOBYXMFSA-N 454.568 0.196 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1)c1ccccc1 1835761640 QWTLFCJGPYGYOQ-WATLYSKOSA-N 471.554 0.703 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767527 CLZXJJLXUUIWEF-RPPQRLJCSA-N 466.583 0.534 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835860262 OUUUREBUIPWBQN-OYHNWAKOSA-N 477.518 0.102 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc(-c3ccccc3)ns1)CCO2 1836251160 ZYYJZPPLCIJABV-NRFANRHFSA-N 456.480 0.363 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836686926 BZYMOILLTPGOJY-JXHRLWIKSA-N 463.600 0.662 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCC(OC3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)N1 1837116293 WTWZECDYPHGBGU-XNQWGTPPSA-N 459.503 0.295 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1837429333 SRBBPWVBRWUXPZ-XMSQKQJNSA-N 466.655 0.087 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837485998 SUGKSYOISLRNFK-MHECFPHRSA-N 480.525 0.684 30 20 JCED CC1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1837486351 BZDXWHLUAURJDH-VWLOTQADSA-N 461.603 0.873 30 20 JCED NC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1ccccc1 1837527659 RXVLUZFRAATARU-BSOPYRCCSA-N 474.558 0.714 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837528360 HROBWDSKDOMCTE-DSMHQBTASA-N 472.502 0.328 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530140 JFJJHJOOSVXOCB-PBPYGMEZSA-N 484.550 0.497 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533147 KKVHASBHNCXYCH-RKACSRGYSA-N 463.535 0.505 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1837560049 NNGJGPPFDYYLIJ-ZKBQTDDLSA-N 461.515 0.744 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-c4ccccn4)[nH]n3)CCO2)C1 1838047852 HORXAXNMBUZDJK-SBUREZEXSA-N 453.499 0.580 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838509883 YNROFUQXOKRLBM-IIHIVLJSSA-N 473.559 0.628 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(n4)OCCO5)C3)C2)c1 1838736057 HJFLAZTZOQYBIQ-QFIPXVFZSA-N 453.455 0.436 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907505 WNZSXKLPHHNGGF-NFBKMPQASA-N 473.482 0.123 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)c(C#N)c1 1839131556 KPGGGNOCJHQEAV-VWLOTQADSA-N 493.520 0.373 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1839175787 FZYMVUNTGUWLTE-UZUQRXQVSA-N 460.531 0.480 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210446 PHXCGZSXZCDRAU-IERDGZPVSA-N 491.532 0.930 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c([N+](=O)[O-])c1 1839232987 OSYFSBPJTPPLRP-JOCHJYFZSA-N 458.471 0.906 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488254 HDJGCFQYRRNZFN-FYSMJZIKSA-N 490.524 0.795 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](C)ON=C(C)C)C4)C3)(C1)C2 1840006262 WPPDVUNZVPMSMH-PDQWDRGOSA-N 451.520 0.587 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1840163603 VXUDDMSJSYYNEE-QRWLVFNGSA-N 461.581 0.302 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1840293997 HAOAHQJUKOESLZ-QHCPKHFHSA-N 453.499 0.353 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1840294556 LCGRJWHLUQJUTQ-AVRDEDQJSA-N 453.536 0.480 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840356827 FGQWCZVUBKHOQG-FDDCHVKYSA-N 492.577 0.594 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN)C2)C1)NC(=O)OC(C)(C)C 1840796085 STCNIDYJCCYISM-PMAPCBKXSA-N 468.595 0.897 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncoc3C)C2)C1 1840908825 IEWBUYICENABKO-GAJHUEQPSA-N 476.530 0.970 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cc1OC)CCO2 1840932730 RINZNMWAPFBALF-WNWNSBFKSA-N 475.517 0.692 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OCC)C1 1844155992 FSCYSLYPMFFEGS-CABCVRRESA-N 454.524 0.724 30 20 JCED COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1845245554 VNRODVZEHALKAZ-UHFFFAOYSA-N 468.595 0.558 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)N(C(=O)OC(C)(C)C)C1 1846449106 OMNMMLCGYJSNCV-HNNXBMFYSA-N 484.517 0.195 30 20 JCED CCCN(C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 31295856 SUBISGBPEQKVIR-MJGOQNOKSA-N 482.628 0.679 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 501295634 OZWSPKUZHLBNJE-UHFFFAOYSA-N 454.508 0.361 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)CC2)cc1OC 505751685 VQXLBDFQMRMZOG-UHFFFAOYSA-N 475.527 0.282 30 20 JCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 505937962 IVCWAILRRCAXGB-QGZVFWFLSA-N 465.576 0.178 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC2)C[C@@H](C)O1 514467942 SUFMGPFUWBEWSM-OKILXGFUSA-N 469.951 0.648 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3)CC2)cc1 520056146 GHEVAGGGFOZVGZ-UHFFFAOYSA-N 477.568 0.553 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3csc([N+](=O)[O-])c3)c2=O)cn1 522390463 MRLKUTQPTPZUJO-UHFFFAOYSA-N 486.535 0.447 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 589776221 PJSWKXRMYAGDAQ-UHFFFAOYSA-N 456.568 0.198 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(OC)cc1 603552679 GZYQHVMAKBFBSD-UHFFFAOYSA-N 467.551 0.356 30 20 JCED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C3/CCCN3C)c1)CC2 727231672 RRXYYDPHCTXFSQ-UCXBAENPSA-N 459.532 0.469 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 728534483 MVXVJHZRMXAOFQ-UHFFFAOYSA-N 486.638 0.860 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 728534576 OVSZOHYBXQTTGN-IBGZPJMESA-N 466.629 0.289 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCS(C)(=O)=O 729671926 XLQYHCYCKBSIDJ-UHFFFAOYSA-N 455.508 0.262 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NC(=O)N[C@@H](C)COC 730029188 NZEYIRUDBBPHQL-FPTDNZKUSA-N 458.471 0.555 30 20 JCED COc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 837040914 IVEQOHCVYQGMFQ-HOCLYGCPSA-N 473.573 0.544 30 20 JCED COCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 915386719 VFPHHVVTHZVUDB-UHFFFAOYSA-N 491.526 0.285 30 20 JCED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 918243145 IAWKUMJGFAZJDY-HJVPCKCQSA-N 479.603 0.911 30 20 JCED CCN(CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)S(C)(=O)=O 918465434 MIPJJSAJJDMRAC-XLNRJJMWSA-N 487.604 0.226 30 20 JCED COC(=O)CNS(=O)(=O)c1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 918580615 ARFQYYBALHJEOX-UHFFFAOYSA-N 494.551 0.595 30 20 JCED CCN(CCC#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 918989561 WCWROTGTQVRHJC-UHFFFAOYSA-N 494.570 0.463 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1314011852 ZWHWLKXXFMSURU-GOSISDBHSA-N 457.560 0.861 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1359447289 SPIUKRWHWMFGAP-AZUAARDMSA-N 472.571 0.983 30 20 JCED O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1436182077 QYTBFBOTZWADHO-CABCVRRESA-N 450.517 0.621 30 20 JCED CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1501432263 NKCSDSWIBOKVJX-UHFFFAOYSA-N 468.566 0.119 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1502436628 YNFGWBZTTXZQGE-QHCPKHFHSA-N 485.614 0.855 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539804569 YMWVWSLZECOLHI-INIZCTEOSA-N 490.030 0.010 30 20 JCED N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1555995468 PYFOOODSVFPCSA-QGZVFWFLSA-N 465.507 0.665 30 20 JCED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1730613941 SMPSZZRFHWIEEA-INIZCTEOSA-N 450.446 0.962 30 20 JCED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CC1=O 1730776382 KCPJGKAMXACSME-IBGZPJMESA-N 451.531 0.980 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CCO1 1741112210 YXTSMJWAORMGKE-HXUWFJFHSA-N 450.503 0.852 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1747546483 KSGRTVQGRXEVMD-UHFFFAOYSA-N 453.547 0.854 30 20 JCED CCOC1CC(O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)C1 1767695844 KQMZZKFVVWQWES-XZZQLLPFSA-N 456.569 0.279 30 20 JCED Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)NCC(F)F)cn1 1769006925 KZRZCTZRKMUHMK-UHFFFAOYSA-N 456.461 0.653 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c2ccccc21 1778166872 KOGWYAQEHSISAP-SANMLTNESA-N 480.565 0.869 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1778965446 RESJOBQRQNBCIZ-WCJKSRRJSA-N 455.552 0.275 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014062 QBZVVLHUTQKPQR-KHJHHVBRSA-N 467.567 0.174 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)CCOC1 1779018689 CBEPKUSPYBCRSZ-JTLGAQIJSA-N 493.605 0.972 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104569 MFGZWXOHJGTSHT-GKGWASKHSA-N 498.577 0.885 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106805 VFTHOOSRDXCSGH-DUOUORMQSA-N 489.525 0.808 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1780539436 OQZPZQNCRMDUMU-ZIACGZRISA-N 494.639 0.673 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)C2 1781693314 FGSVWVINNVVKGW-UZUQRXQVSA-N 472.546 0.790 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=N)N)C3)N(C(=O)OC(C)(C)C)C1 1782302016 KUEAHAZWAZDWNE-YGKZAACZSA-N 478.594 0.549 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C34CCN(C(=O)OC(C)(C)C)CC4)C2)C1 1783453584 NEGVHOGBUNEBKU-UZUQRXQVSA-N 474.558 0.213 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1785376554 VNYSMERBTJIHSW-QFIPXVFZSA-N 451.439 0.569 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccnc5C(N)=O)[C@H]4C3)c2c1 1785519502 KNOGUPUQTYWZRG-FNHZYXHNSA-N 473.493 0.836 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)C[C@@H]21 1786857266 FAINOQSJLVFCCC-IHPCNDPISA-N 476.599 0.965 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1787521034 AXZXFJZXQYQSOA-SJVNDZIOSA-N 452.515 0.895 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788604185 TZOJBPVYNDCUGF-HVYSQBCLSA-N 495.621 0.714 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C[C@@H]32)cc1 1789575061 NCLGLDYSNMYJJK-BJLQDIEVSA-N 465.466 0.922 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(S(C)(=O)=O)c3)C[C@@H]21 1789954122 STYHVISIMSTVDO-PDWMJMLSSA-N 466.560 0.879 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4nccnc4CN3C(=O)OC(C)(C)C)C[C@@H]21 1790794671 CZTQDPQJJYDITN-FEHORTKBSA-N 469.542 0.751 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791076438 DTIBSHQQCXXKFQ-FENNVDPPSA-N 467.494 0.403 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)c1ccccc1F 1791078098 JILPIFFFJZNDTK-QQVQHEQESA-N 459.474 0.245 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)[C@H]2C1 1791125241 YWGFDZDJKFBUKY-HVAMYJMISA-N 455.511 0.371 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1791540348 ODRJMJPKXBXCTI-XGAJZPNHSA-N 492.580 0.941 30 20 JCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)C[C@@H]32)CCC1 1792138101 WLALNMNBWYBYPQ-BJLQDIEVSA-N 480.569 0.695 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)OC)C[C@@H]21 1792255781 VFHWTUKOXHBDRY-XSLAGTTESA-N 497.614 0.789 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792556870 WEWYJXCERANMIZ-RCLSDMTESA-N 472.542 0.576 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(O)C1)C(C)(C)S 1792894635 KODBPLCJSMGJBL-VSAMBSGTSA-N 471.620 0.949 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 1793347949 REJULWULDUPWLN-CSDLJKASSA-N 491.585 0.496 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1793823335 BOTUWCIMHPSCCC-CCWDJLKJSA-N 492.623 0.350 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC[C@@H](N)C(N)=O)N(C(=O)OC(C)(C)C)C1 1796084400 QSEDBIUVQLACQN-ILOCAZANSA-N 463.579 0.783 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC 1797586583 COSLRNQSRUAHLG-OREBXVKISA-N 498.577 0.500 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1797784248 QNAWQLAGHCLFOH-CWPLJXCYSA-N 470.551 0.658 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798493530 NCMSGLQDFSNMMI-LYYGHALDSA-N 464.563 0.192 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799152016 ZDSHVOPLEXVTTC-MAEPKYQWSA-N 466.538 0.928 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(N)=O)C2 1799324285 GSGNHVWQBVLNSF-IVSAIRAKSA-N 453.540 0.104 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C 1799395926 KCERCAYSTOGQOP-UYTYNIKBSA-N 498.577 0.833 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cn4c(nc2=O)SCC4)C3)c1 1799747626 LGMVKKVGHODDFE-CWPLJXCYSA-N 483.525 0.806 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800181844 PXSRFRMHFKLAET-GPVSGQMNSA-N 451.483 0.655 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1800800232 XGJBCVAVEGULMG-IVSAIRAKSA-N 466.535 0.582 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1800801374 BAIMGFRPMMIOFB-JAAXMTQOSA-N 459.565 0.351 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)c1ccc(O)cc1 1801055823 NBFSMLCHCHPGFF-XJJKVWHCSA-N 491.610 0.807 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cccn1 1801390334 CNUGLEAUCMKWKB-QTMHVTGLSA-N 459.547 0.950 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1 1801763099 WLZJBQOVKNRTBT-PJKMLTEKSA-N 461.482 0.562 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)CC1 1801965699 BQULRGAPLZGTRR-RMFSNUHRSA-N 486.573 0.642 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807358084 VIJBJZOWTYUCHE-ALKREAHSSA-N 466.502 0.933 30 20 JCED Cn1c(=O)n(CC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c2ccccc21 1809537730 YSQHVPJUSHZYJC-UZUQRXQVSA-N 461.478 0.529 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)CC1 1809664756 CJLPCBVVCXNDJG-GMAHTHKFSA-N 483.617 0.533 30 20 JCED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1814012500 MRIABOSYLBXMRJ-KRWDZBQOSA-N 472.592 0.837 30 20 JCED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1814012502 MRIABOSYLBXMRJ-QGZVFWFLSA-N 472.592 0.837 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1819456369 HZMULXZPFOFFDR-JLBMLGSFSA-N 466.539 0.217 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2 1820020534 SVDILCJSAAFEPW-KBPBESRZSA-N 484.586 0.945 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)N3CCN(C)CC3)sc2C1 1822683274 KUSVPKNSFOHQKK-ZJBFNYKTSA-N 460.604 0.549 30 20 JCED COC[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828598461 ZXJABNIUTBNMHB-MHECFPHRSA-N 471.510 0.809 30 20 JCED Cc1nc[nH]c1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332681 UQDXUPAWEBYOOY-DEOSSOPVSA-N 479.493 0.872 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccccc4O3)C2)C1 1829773741 SMTKIOWWPAGJOP-CNKBHHAVSA-N 469.538 0.695 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccccc4C(N)=O)C3)C2)cc1 1829905545 FQGAIVUCLYYVLE-VWLOTQADSA-N 462.506 0.970 30 20 JCED COCCOCCOCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831498796 QRELRGIJOJSMMS-IFMALSPDSA-N 492.635 0.093 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831665658 JXSOIDCOVAQXKY-SJORKVTESA-N 451.520 0.580 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CNC(C)=O)CCO3)c1 1831694165 JQTVZAMUPCEVSK-DEOSSOPVSA-N 472.542 0.799 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1831999736 BEVWYZYTWZUPOH-HTAPYJJXSA-N 478.550 0.204 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1 1833075120 VDQMAZIGHUTBIF-ARJAWSKDSA-N 461.563 0.259 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)nc1F)CCO2 1833259664 BCXBFPGYDNKEPR-GOSISDBHSA-N 470.251 0.141 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)CC2)CC1 1833467944 DVMMDPUFMZGRCP-IBGZPJMESA-N 471.602 0.897 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833615381 SHWKUKASSZBDLS-DVECYGJZSA-N 489.573 0.789 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)NCC(C)C)C3)C2)c(O)n1 1833698302 DNBFSSRSRNKSRG-DEOSSOPVSA-N 474.558 0.748 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C3)C2)c(O)n1 1833699009 RTUJNWVFWJQEBS-BXKMTCNYSA-N 474.558 0.843 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccno3)CCO2)C1 1834156247 SDJKVTBDOAYTRF-OPAMFIHVSA-N 462.503 0.661 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ocnc3C)CCO2)C1 1834371593 ICOVBFLYIBRINN-UZUQRXQVSA-N 476.530 0.970 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1834716096 AREGSFOFCALCFT-UHFFFAOYSA-N 459.599 0.173 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834860246 OUMPFKSEOJCPHD-GAZXMLTASA-N 495.573 0.865 30 20 JCED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834913468 SCOVUUUZWONQKD-UHFFFAOYSA-N 461.588 0.827 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102331 LBNPVBBBFYVHDO-YKSBVNFPSA-N 473.526 0.338 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1835118930 VDEIBSFBCNBZGK-ONEGZZNKSA-N 457.560 0.745 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1835681013 RQRAJUVKROPQFA-SFHVURJKSA-N 473.456 0.175 30 20 JCED N#Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)Cn4cnnn4)CC3)CC2)ccc1F 1836409244 YXKYDZSBGIMJPJ-UHFFFAOYSA-N 454.510 0.498 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)[C@H](C1CCOCC1)C(=O)N3)CCO2 1836783125 NXBNUPMRCJCWSI-WIOPSUGQSA-N 467.522 0.852 30 20 JCED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1C(F)(F)F 1837443817 RQRXXZABCAITLY-OIOPBYROSA-N 486.495 0.981 30 20 JCED Cc1cc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1837555206 GASVKFQVCRVYLH-SPGHIOHQSA-N 462.503 0.982 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1837562099 CTCFDYAVGTVOOH-JBMWNJKUSA-N 468.470 0.217 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)ccc21 1837563115 JSXIAMNHRPMZIS-IZEYGWMZSA-N 495.536 0.659 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1837581130 PULPLXCFNWXTIY-FQEVSTJZSA-N 473.574 0.812 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837770940 XIPHNFIOVIHVII-MSAWBSESSA-N 498.483 0.842 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(Br)c3)CCO2)C1 1837810344 FLHAGITVIWFRKJ-FOIQADDNSA-N 466.332 0.952 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)C1 1838026840 ZZDQPIPOOCGWQZ-HXOBKFHXSA-N 453.499 0.580 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838110732 DZVGZDSZPYTKGN-QRQCRPRQSA-N 478.502 0.367 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)C5=NNC(=O)C5)CC4)CC3)c2c1 1838380831 JQNZQIZYYFUHAW-UHFFFAOYSA-N 463.498 0.923 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nn[nH]c4C(F)(F)F)C3)C2)c1 1838738059 OLZJQCAEJAGMFB-QGZVFWFLSA-N 453.381 0.407 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826817 ANWAAGYGDCVXOW-XLKFECATSA-N 465.463 0.522 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950736 AROMNCRWRAYFDK-HSZRJFAPSA-N 453.499 0.785 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1839185085 MFFIOVTVLDVIKT-XFAGBWLFSA-N 494.589 0.581 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839185160 PHSNJQBBIPMPIZ-XLNZFTOWSA-N 478.590 0.830 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c(Cl)c1 1839425404 ZFPNMTNVVQHSPG-QFIPXVFZSA-N 472.885 0.207 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839667496 UGYRSLFOQZQENP-SBUREZEXSA-N 455.515 0.350 30 20 JCED COc1ccc(Cl)cc1CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044288 BSXNXOBTDDKXFL-NRFANRHFSA-N 450.875 0.436 30 20 JCED CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045138 SBOKSBNVDRBWMU-OPAMFIHVSA-N 467.519 0.224 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251423 CRIXMVRXJVNRMI-GAJHUEQPSA-N 491.545 0.751 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840819380 HJFZKABFXSVVIP-XMMPIXPASA-N 483.525 0.550 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840906509 DCNBZOYAIAWHLF-YADARESESA-N 487.557 0.392 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncn3)C2)C1 1840908662 FTDQSIPMUPJPOU-WZONZLPQSA-N 473.530 0.463 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)CCO2 1840945929 NPOGUXPOGYBHAX-GSRZOBFVSA-N 497.564 0.829 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C 1847805717 SLYQJUKXZQRAFB-RDGPPVDQSA-N 478.590 0.988 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1C 409953371 UQSMJISKRICFTI-UHFFFAOYSA-N 473.551 0.271 30 20 JCED CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 478115770 ZCSYXYOMUVHEJU-IBGZPJMESA-N 468.601 0.985 30 20 JCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cnc21 488723378 JLGDOWSRKOJHAS-UHFFFAOYSA-N 468.495 0.945 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 498573811 UXYFQORVYNWEOK-UHFFFAOYSA-N 488.551 0.246 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCCC(=O)OC 501811920 BSBDWRDSIHQPHM-UHFFFAOYSA-N 465.478 0.407 30 20 JCED Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 511774676 YUZUCFDFCJCFEX-UHFFFAOYSA-N 495.565 0.782 30 20 JCED Cc1ccc(C(=O)NCCCCN2CCN(c3ncccn3)CC2)cc1S(=O)(=O)NCC#N 524679653 RBZTXCRSIFXBJV-UHFFFAOYSA-N 471.587 0.919 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2OC)c1=O 603793568 ZCGDBQYXFZTIDW-UHFFFAOYSA-N 454.552 0.056 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2C(F)(F)F)c1=O 604270180 ROZLDKKJGCQDOY-UHFFFAOYSA-N 494.495 0.379 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCNS(C)(=O)=O 608912251 JDOGUZKBDYHYLW-UHFFFAOYSA-N 478.552 0.485 30 20 JCED CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 609005869 YVZJCSKLRQZVBI-UHFFFAOYSA-N 456.528 0.927 30 20 JCED CCOCCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2cnn(C)c2)c1=O 725763985 CSVJWALAZNDFSY-UHFFFAOYSA-N 481.534 0.593 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)C1=O 726043062 QXCBTFNEPUELGI-SNVBAGLBSA-N 482.371 0.899 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCNS(C)(=O)=O 727164910 SMQMHYHIYONROI-UHFFFAOYSA-N 479.628 0.529 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)CC1 728573755 UNGLGPZJLMVNNM-UHFFFAOYSA-N 475.615 0.475 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCS(C)(=O)=O 729670928 BQKUCANNERXLAJ-UHFFFAOYSA-N 460.002 0.699 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CCS(C)(=O)=O 729671112 HVMSUWWELCIAQC-UHFFFAOYSA-N 477.608 0.772 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(C)c2C)c1=O 731203228 BLMJVHNELCTKSQ-UHFFFAOYSA-N 470.595 0.125 30 20 JCED CC(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 791849340 DULBYRGDOZPAJK-GOSISDBHSA-N 462.528 0.193 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 838247821 MMQLAKXFMLYBRU-GFCCVEGCSA-N 479.942 0.592 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)o1 915249754 LKBANBUPYOQMAN-JLTOFOAXSA-N 467.500 0.961 30 20 JCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)nc1 915777300 FGHIGAFUSLDPQB-UHFFFAOYSA-N 479.541 0.793 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(OCC(N)=O)c2)n1 1290648362 TXDAHIVJVRLKIS-IBGZPJMESA-N 450.503 0.781 30 20 JCED CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1613439395 MFNPOGSYEHABFE-QFBILLFUSA-N 469.546 0.985 30 20 JCED CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1614785842 NOWDAMOBBGSORN-QGZVFWFLSA-N 460.564 0.614 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705755218 OLEHNRCPRZJIQX-SJORKVTESA-N 475.015 0.665 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCC(O)CC1 1706880341 RZRHRKIHHXGJIU-OXJNMPFZSA-N 453.613 0.865 30 20 JCED CCCN1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1728156389 USJXLERZVFTYPK-WDSOQIARSA-N 464.640 0.939 30 20 JCED CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729229218 SPTOQFJASMWDDG-YTTGMZPUSA-N 456.576 0.876 30 20 JCED CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1729744388 ZKNRAMDTQLOWRY-OAHLLOKOSA-N 461.596 0.793 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CCO1 1748222990 LLXYSZXGSZWBOM-YSIASYRMSA-N 470.530 0.731 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1760589884 KVTJBNQPVIVDGA-VDZJLULYSA-N 478.623 0.323 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778088509 QYHJBJSQZYPOLT-DBXWQHBBSA-N 457.593 0.517 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)ccc1Br 1778941695 REVGITABBATQCR-LJQANCHMSA-N 460.288 0.640 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)CCO2)C1 1778969894 BOKIJTZPNDDLRA-DGGJZMOXSA-N 469.579 0.929 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)cc1C#N 1779095978 LNXJPYHEMWHEDM-UPVQGACJSA-N 472.542 0.440 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779322791 NASAUKUWZJERND-MCJPXMOYSA-N 494.589 0.437 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1779398323 MVGXDSFUZCVYDF-WOIUINJBSA-N 466.600 0.776 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1779420922 AEFNUTBQGARFIA-RIYOOATHSA-N 488.545 0.283 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C3)no1 1779432456 IIKAAYVSLJKWCC-WZONZLPQSA-N 474.562 0.509 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062479 SLTAYTXHGOVENV-XMMPIXPASA-N 474.477 0.484 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780249466 AHXHTSFRWAGXIA-IVZQSRNASA-N 459.503 0.130 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1780734993 BKVGGPUCHWKXMA-DYESRHJHSA-N 463.491 0.815 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CN3C(=O)CNC3=O)C4)c2c1 1781204296 YQHYYZBMMBXSMY-UZUQRXQVSA-N 479.497 0.114 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1781270686 SKSFQWMPSISOJL-XMMPIXPASA-N 474.510 0.789 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)CCO2 1783054544 YCCVHJCCRNKKMZ-KSFYIVLOSA-N 464.519 0.255 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1783275553 HEGYWPVBWDZKOI-NDBKNAECSA-N 496.605 0.860 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1783485878 MKZBQLFTISMWHW-BRHFBXIFSA-N 493.557 0.062 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783565389 SIZHRIGYYJAQRU-UZUQRXQVSA-N 463.531 0.942 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1783771254 PJHQMJNPHKWGAU-VGOFRKELSA-N 462.551 0.968 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)[C@H]2C1 1783844073 GLPRQDOXIOMOHO-OLAQMGEPSA-N 488.585 0.946 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21 1784482860 HLUZXITWSCRKGL-YIZWPBQVSA-N 451.523 0.914 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1785575158 ZCQLBZWZBQXWBK-BTYIYWSLSA-N 467.592 0.750 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1785578076 VUDXWLDOXOZEOL-JKSBSHDWSA-N 469.604 0.847 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)[C@H]2OCC[C@H]21 1786369304 SKQNZDLYVHWFQJ-YKPCMBIXSA-N 462.547 0.904 30 20 JCED Nc1n[nH]c(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/C(=O)c4cccs4)C[C@@H]32)n1 1788505612 QPDWBSZXGFNBMF-GYAOLTTFSA-N 458.544 0.800 30 20 JCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]cc4I)[C@H]3C2)CC1 1788897969 OHPKUQSYKLNYKT-GVXVVHGQSA-N 469.283 0.911 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1789839214 GJTDTZHSHQARAS-FJIDUMEYSA-N 478.594 0.146 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)n5)C[C@@H]43)c2c1 1790327227 XURPBWSISZKDNO-JDFRZJQESA-N 463.454 0.543 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)CC1 1792129160 PSPGPHGFGPKYOA-FHWLQOOXSA-N 463.579 0.823 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1792255628 RQXCTWPKXKNFCN-FKSLSLAPSA-N 476.574 0.409 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1793086274 SLTMQJSNLFJTNC-IIZPIQPGSA-N 486.569 0.966 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CS(C)(=O)=O)c(O)n1 1793366568 NBDZZHGROIXVPK-GGXPGOJBSA-N 465.572 0.790 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)c2ccccc2C1=O 1793860582 FADBYGOENCBFMI-OPOADAIRSA-N 455.511 0.853 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)C1 1795408982 VGZUIFPUSBPCGX-CWQOZTLDSA-N 462.547 0.498 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598385 DXBUWAREGGXYIB-MHORFTMASA-N 481.594 0.398 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2 1795598558 WTMOZOZNCCSONV-IZZQQSIFSA-N 451.531 0.752 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1795894197 UGPDXRQWTWEINR-XEZGLNCPSA-N 467.563 0.537 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn(C)c(CC)c1Br 1795951714 DMMZAJLZDXOJLI-ZJOBFFGXSA-N 467.364 0.987 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CO2 1797449529 XGGSLZKNAQSOOO-JLRLZTEKSA-N 454.483 0.079 30 20 JCED O=C1Nc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)cccc2C1=O 1797541331 KKAZMWJVKGOLFY-CWYBWMOVSA-N 470.482 0.554 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1nc(O)n2c1CCCC2 1797985634 VKPCADMIIAQOOT-RFTGSIGZSA-N 461.519 0.657 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cn(C)nc2OC)C3)c(C#N)c1 1799239008 SGZNMSZUMPKYIU-UPHUGPLXSA-N 453.499 0.755 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1799259476 QOJRHLGBEXCIAF-HGKCTWBKSA-N 461.519 0.631 30 20 JCED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1800492656 RAQBRFAAHMLMEX-AMVTXUCVSA-N 474.583 0.643 30 20 JCED CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1800535387 PPGLYHRIHPMCTE-KANFNMMFSA-N 491.589 0.641 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1800716802 DYSWGZKKHOJNLN-FVSFCRNKSA-N 461.515 0.311 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 1800987753 WHHNZTNFDMOTLK-CFIWVGBUSA-N 469.604 0.776 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1801966108 NGMLZLDIXSVPCP-RCLSDMTESA-N 494.633 0.702 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)c(O)nc1=O)c1ccc(O)cc1 1801971917 HXPAFGMNCYOJOW-KTIHBUSBSA-N 494.548 0.750 30 20 JCED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)cc1 1802578584 VZOOAQRHNHZBQN-KNQAVFIVSA-N 471.454 0.927 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@H](C)NC(=O)c2cnccn2)[C@@H]1c1cccnc1 1803548093 HCTYANIAAULBBN-GMLUQMLDSA-N 464.526 0.734 30 20 JCED C=CCOCCCC(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806700030 AQJKAZJSNKQOON-UHFFFAOYSA-N 455.621 0.931 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1810332229 UVJXZYSBJQBEID-AVRDEDQJSA-N 467.526 0.338 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)ccc21 1812877630 NWMJHFFPRRHPPY-VGOFRKELSA-N 461.478 0.680 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)Cc3cscn3)sc2C1 1816983751 XAZHEKAPSNWEBA-HPQNNBMJSA-N 460.585 0.940 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1828581151 ZUNGLINIWHLXSP-JDRJUVJTSA-N 496.564 0.755 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCN2C(=O)OCc1ccccc1 1829014337 WBWOYNWAXOIGIU-QFIPXVFZSA-N 466.502 0.429 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1830064925 ZESDHVPWTAIDJC-CQLNOVPUSA-N 452.511 0.903 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830673947 BPPMUDZJMRSVOD-UZXLYKSHSA-N 469.538 0.354 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831329323 LNQXIJNBDPUYNU-VFNWGFHPSA-N 482.534 0.095 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831426803 KDZPEQWZQSFNEO-STSQHVNTSA-N 485.578 0.574 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)N4CCCC4)CCO3)C2)cc1 1832419806 TWAVGPOORDDQGM-RUZDIDTESA-N 468.554 0.960 30 20 JCED Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1833131445 GFRNYWXSUROVBE-LQCQBLIGSA-N 460.531 0.918 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1F 1833738106 SJIMZQFENLLHGI-OWNHUBEZSA-N 467.498 0.710 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833847861 OAYSXPADXGVVCV-UZFJHSOTSA-N 490.561 0.355 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1833864372 CXGXZRIFFSGGTI-HSZRJFAPSA-N 453.499 0.879 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnn2C)CCO3)c(C#N)c1 1834235775 XAXJFDPFZDSZRN-QHCPKHFHSA-N 453.499 0.613 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)C1 1834756392 VNAXSRFQMNVBLJ-OAQYLSRUSA-N 462.890 0.435 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834760843 SOZZFDOGNGDRFG-XFQAVAEZSA-N 454.499 0.704 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3nc4ncccn4n3)CC2)CC1 1835351683 OVWDEEQPUXKKGW-SFHVURJKSA-N 455.563 0.883 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CC2)CC1 1835485921 DFYNUYHSPQILBR-QHCPKHFHSA-N 482.581 0.547 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c1 1835542071 ZKYVGFNUDQBKKP-HRAATJIYSA-N 480.458 0.108 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835640894 YBZPXBPQYDDLTA-NTKDMRAZSA-N 498.621 0.668 30 20 JCED CCc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1Cl 1835673964 CDXQIJJOHBEQHK-OAQYLSRUSA-N 466.970 0.977 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681059 OEZCJAODZZCPBB-QHCPKHFHSA-N 460.579 0.318 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1835754311 YPIDJNPQWHNQPL-KKSFZXQISA-N 467.563 0.644 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1835767295 OARHFWAMUNLKNH-SGCYSOCQSA-N 491.549 0.892 30 20 JCED Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CCO3)n1 1836321979 SXJRDIICOCUFGE-HXUWFJFHSA-N 494.430 0.976 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)c1 1836678270 QJSPZDYHAJDNNA-CPJSRVTESA-N 469.586 0.631 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837152090 BKNBZQPTCGMFAA-DEOSSOPVSA-N 471.510 0.509 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)NC(=O)NCC)CCO3)c(O)n1 1837375117 HSTQOBDGOXTAHI-BXKMTCNYSA-N 489.573 0.683 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837382335 XJXGAOGJPLAWDJ-GAJHUEQPSA-N 457.531 0.530 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1837399703 ZTJONDYPXMHJLO-YADARESESA-N 469.542 0.910 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837439173 GQJVSHZJQHIUJS-QVQQHXNLSA-N 451.553 0.122 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1837492636 NDDDPDCFXFDOTL-XMMPIXPASA-N 472.542 0.270 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837496983 SJQHHVWBAAVFDR-QPPBQGQZSA-N 487.509 0.052 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838626465 UEYDEEJSAXNEAS-NRFANRHFSA-N 460.443 0.943 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c(O)c1 1838888513 CPXKJWUDKVFHDA-UYAPEEHZSA-N 477.514 1.000 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)C3)C2)c1 1838905577 NIHYFFNLKGYRHO-IQGLISFBSA-N 493.520 0.635 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1839173996 ZIVPUTZTKMBSTK-PXDATVDWSA-N 471.554 0.667 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1839174371 XSYJFCPOSGLGEB-OAQYLSRUSA-N 466.560 0.745 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1839176568 VGWCFQXHRNEVHT-XMMPIXPASA-N 471.510 0.761 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c(Cl)c1 1839423440 BJRWKSZYBHNQSU-NRFANRHFSA-N 473.873 0.797 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476603 YTGRLRKPAZJCBL-ZHRRBRCNSA-N 482.530 0.338 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCO2)C1 1839482183 HKHHOKGWSOBSGU-HSZRJFAPSA-N 499.528 0.823 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839621245 LFWWBOCFANUKCZ-FDDCHVKYSA-N 461.563 0.380 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc4c(c2)CCNCC4)CCO3)cc1 1839692122 DNJJDAWFNPVYIY-MHZLTWQESA-N 489.576 0.954 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839717596 HKXKZAQQVOPYSY-QHCPKHFHSA-N 474.514 0.981 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](CCN(C)C)(Cc1ccccc1)C(=O)O)CCO2 1839724157 KYSVTMLBQONNPF-JWQCQUIFSA-N 471.554 0.341 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)CCO2)C1 1839727109 AWBXDLDSCKZOCD-XDTJVVMOSA-N 463.600 0.397 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C[C@H]3CCOC3)NC(=O)OC(C)(C)C)C2)C1 1839808584 VDWPRPYSSCHEPP-IEGUWTFLSA-N 465.547 0.396 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)NC(C)=O)CCO3)c(O)n1 1839876734 YNTHFLJOINGWLG-MWTRTKDXSA-N 460.531 0.500 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3c(O)nc4ccccc43)C2)C1 1840043253 NYTVUIHZXURDKL-QHCPKHFHSA-N 470.482 0.067 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1Br 1840043877 ZIJSKUCOWXLUPW-HXUWFJFHSA-N 476.283 0.479 30 20 JCED COc1cc(Cl)ccc1CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044438 IDIOKIDAGAPTTL-NRFANRHFSA-N 450.875 0.436 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Br)c(F)cc3F)C2)C1 1840044839 AAMVIONVYRHDNI-LJQANCHMSA-N 487.253 0.885 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1840169559 LKGZCDVMCMXIPC-DFBJGRDBSA-N 486.569 0.882 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c1 1840264770 PXBUGTMRMNMKHB-BXKMTCNYSA-N 466.494 0.309 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(OCC)OCC)CCO2 1840279555 UTERPRVFHCITNV-KOIKXXGWSA-N 453.536 0.090 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)cc1C#N 1840763706 NCDVTYUQHPXUQT-NTKDMRAZSA-N 470.526 0.552 30 20 JCED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cccc1=O 1840818485 FEEUGISDNQUBLR-DEOSSOPVSA-N 466.494 0.406 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)COc5ccccc5C#N)CCO4)C3)(C1)C2 1840820255 GQSAMGHGJSCRGP-DDJHWDJXSA-N 483.521 0.737 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1 1840908803 HLRSYIKQORGIHI-HOYKHHGWSA-N 487.557 0.772 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842809303 ZCGWWJRPKBKOKW-OAHLLOKOSA-N 468.576 0.822 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848032478 MSKPPLWIYLOPPH-CQHMPISHSA-N 461.519 0.209 30 20 JCED N#CCCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 10070510 LJVQMTMWYBKNEH-UHFFFAOYSA-N 451.501 0.822 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c1=O 10851261 YBUKSXFUVHUWQD-UHFFFAOYSA-N 475.527 0.723 30 20 JCED C[C@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)o1 514521011 JDXFSEVACBRSJV-MAUKXSAKSA-N 468.579 0.913 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(S(=O)(=O)N(C)C)c1 514522152 UTNQQVAXZLUHIQ-UHFFFAOYSA-N 497.602 0.574 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCN(C)c1ccccc1 522534791 GGCQAABZIDZCRY-UHFFFAOYSA-N 480.594 0.435 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cccs2)c1=O 589161121 PAXAGJJEKDYGAL-UHFFFAOYSA-N 459.574 0.906 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 590986640 MUZISDATOMVZQN-UHFFFAOYSA-N 460.531 0.029 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O 608911058 GYPLYQDLADGWAE-UHFFFAOYSA-N 469.386 0.638 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(N)=O 609220859 MDKHRFNQUCKDRQ-UHFFFAOYSA-N 484.578 0.154 30 20 JCED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 609402949 WMSJZFQXJHQLME-QGZVFWFLSA-N 494.643 0.513 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)C[C@H](C)O1 727844976 XQMVIRRPMMMWFU-IRXDYDNUSA-N 451.549 0.770 30 20 JCED Cn1ncc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1-n1cccc1 904218886 OQUMGDUIGYIGMP-UHFFFAOYSA-N 482.522 0.772 30 20 JCED C=CCn1c(-c2cccnc2)nn(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1=S 915208739 RYGKAMATCARAEH-UHFFFAOYSA-N 478.648 0.729 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)O[C@@H](C)C#N 916533524 YWXMYXFDPMTCQX-ZDUSSCGKSA-N 457.530 0.843 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1=O 921049514 KOQVRACQDAUUMG-UHFFFAOYSA-N 475.933 0.378 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3cccc(F)c3c2=O)CC1 1165745661 MYHOIXDGAWBCHY-UHFFFAOYSA-N 455.471 0.940 30 20 JCED N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)N2CCSCC2)C1 1316526400 JCXBKFVRMUCYAP-GOSISDBHSA-N 471.584 0.335 30 20 JCED CC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1359364108 JMQBPZOOORGWLG-KXBFYZLASA-N 478.623 0.323 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 1442717362 MURZOPJTWKBLPD-HNNXBMFYSA-N 458.544 0.627 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1503405405 JDMMRXLHWNCWSW-RDJZCZTQSA-N 494.599 0.359 30 20 JCED Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)c1C 1540137149 SXFOAORFGMOZHT-UHFFFAOYSA-N 459.528 0.587 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1541927403 JOELBKCGKWUNRG-BEFAXECRSA-N 456.592 0.356 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 1617869601 DDIGVRCBXSJNIZ-WIYYLYMNSA-N 476.559 0.270 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CCCO 1692662877 JCGHOZYDKIVOEX-KZNAEPCWSA-N 469.612 0.196 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1711273876 JISXXKABEMAQMW-NRFANRHFSA-N 459.576 0.355 30 20 JCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1712701045 YVDDJTDSJQKSEB-UHFFFAOYSA-N 485.614 0.996 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1778105257 QNMHOPKTVGIYED-PKWPTEKUSA-N 452.552 0.896 30 20 JCED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778758093 VRGMZSQGCGQGKQ-DENIHFKCSA-N 453.605 0.975 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780038280 UFDXNKYEULFOEC-IIRYRQSKSA-N 480.525 0.075 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)c1 1780176789 MFFHZZRXTASREW-OAQYLSRUSA-N 474.564 0.871 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780197035 BLLYTDIUJWPXSA-IVZQSRNASA-N 457.487 0.713 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781116013 YXIYHGVFJVUEME-NWFVXXGESA-N 482.578 0.845 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1781265491 OWHZLFYNHRBFEY-NRFANRHFSA-N 465.528 0.438 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCOCCOCCOC)C1 1782069176 DHYMLXILYDOPRN-PQNGQFLHSA-N 484.590 0.235 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782787957 UGCQCLPWQVFJPT-UKKLRFBMSA-N 460.491 0.058 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c(I)ccnc1OC)CCO2 1783054816 OBOVQGPQWJNSKX-KRWDZBQOSA-N 455.252 0.772 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1)C(=O)O 1785195999 KTGFMOVUWXELGM-MBSDFSHPSA-N 458.515 0.852 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785346092 ZMIJNKCFHGTPEP-NTKDMRAZSA-N 480.606 0.960 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1785518120 UULYXCIZDBZGIF-JZKQVHKSSA-N 459.565 0.591 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1788705178 MQUATYDNUUSMHE-FUOQNJDISA-N 492.536 0.525 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)[C@H]2C1 1792255548 OAYXHDDIGLFCLF-HVTWWXFQSA-N 461.559 0.921 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccnn3)C[C@@H]21 1792257324 SVENLHCSTYFLNM-VMXHOPILSA-N 474.562 0.735 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794504520 SLZVGLQHGSFVSA-FAQVEIGNSA-N 473.599 0.530 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@H]2C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795084480 XAUODTDZAJJJFT-ZMMAXQRCSA-N 489.573 0.253 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)cnn1C)C2 1797710185 IEHXCNBRFQCYSQ-AYRXBEOTSA-N 455.353 0.959 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)C1 1797839253 YMUSRMBJEBNSJF-WWMJAGMXSA-N 490.557 0.660 30 20 JCED O=C(Cc1ccc2ncnn2c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1799082697 ONVYYGKOIIAEQU-ZYFSXCEOSA-N 456.503 0.390 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1799321829 MXOXQTZJWUGZEA-HZVKZAKPSA-N 496.605 0.086 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1799395491 RTJHWSBUEXXCJL-QLCXLMDBSA-N 470.567 0.653 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)Cc1ccco1 1800773273 HKQGBDOISFAGRL-GEYWLOKFSA-N 489.525 0.783 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCN2CCN(C)CC2)[C@@H]1c1cccnc1 1802481245 HRACQBYSILHKQF-BYGXPYSHSA-N 468.602 0.583 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1802892945 IPLWXONALUMSFN-FERXELFHSA-N 478.505 0.355 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1810249323 WWSRCDVYWMTAPL-VDZJLULYSA-N 465.514 0.705 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cnc3c(c2)NC(=O)CS3)[C@H]1c1cccnc1 1812218204 LVHUMSNJYSAUDZ-JLTOFOAXSA-N 465.491 0.928 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CCCC[C@H]3c3cc(NC(=O)C#CC(=O)O)n[nH]3)csc2n(C)c1=O 1822202215 KACUUFPNZUCSAF-AWEZNQCLSA-N 498.521 0.345 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822204799 QWDKVJYNKKZFGQ-KBPBESRZSA-N 476.490 0.259 30 20 JCED CNC(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC#N)C2)C1 1828576947 WEATZWRIEDXANI-QHCPKHFHSA-N 455.515 0.878 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cnnn3C)C2)C1 1828579984 LJFYSUNXFWASQH-CLOONOSVSA-N 494.552 0.919 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1829773764 UQBXIZOGDGZTDP-RRFNBQSRSA-N 484.553 0.317 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)c1 1830050869 WXFLUDUACNBIAC-GAJHUEQPSA-N 457.531 0.655 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461671 VYTPOELTLRFSRW-URXFXBBRSA-N 472.542 0.098 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1831023242 KFNFGZHATSUMNI-GAJHUEQPSA-N 456.499 0.836 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1831434291 VHKOSUMPGYOEPT-MEKIYTOJSA-N 456.543 0.800 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831464857 UCSFJMMDULTSRW-HTAPYJJXSA-N 463.556 0.503 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1831998427 FUVQKVIREBMHHZ-UZUQRXQVSA-N 467.563 0.949 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4C(=O)c5ccccc5C4=O)CCO3)C2)CC1 1832535350 ZBDZAQRLYMPAAJ-XMMPIXPASA-N 466.494 0.433 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)ccc1F 1832800693 XTNWAHULMMAOOV-QFIPXVFZSA-N 486.460 0.501 30 20 JCED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1833506082 OFNIUJCHUPJIER-YIVIECCWSA-N 463.491 0.084 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2C)CCO3)c1 1833873373 WXYOMKORUCCKHT-XMMPIXPASA-N 466.494 0.649 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)c3ncnn3C)CC2)CC1 1834077223 JJYHCZMIRXDKLC-IBGZPJMESA-N 487.605 0.917 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116344 GNDXMURLNOYNMQ-HXUWFJFHSA-N 484.663 0.557 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CCOC1 1835346115 RAWXFPSXCXISTB-DHIUTWEWSA-N 478.546 0.430 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)c1 1835706362 NYEUDKLBUWCNOP-NZQKXSOJSA-N 453.474 0.862 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837135425 GTUGNBDTKULGGR-IQMFZBJNSA-N 457.483 0.483 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c(O)n1 1837271009 MGMDCIPHSLPTSJ-HSZRJFAPSA-N 485.545 0.309 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837629487 NTUQXNSWOGDABP-AWUSRGSFSA-N 484.534 0.977 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Cn2cncn2)CCO3)c(O)n1 1837641485 PQIPGUWRJPCZMW-KOSHJBKYSA-N 484.557 0.904 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838436502 ISSIMGWAFMIPKB-HJPURHCSSA-N 458.515 0.940 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)c4cccn4C)C3)C2)c1 1838583497 GLUGOILNOWYYDX-XMMPIXPASA-N 466.494 0.858 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1838907243 GWLLOBJRSAXMIZ-JOCHJYFZSA-N 451.439 0.430 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(C#N)c5)CCO4)C3)cc2C1 1838908066 FPPKTJKLDUHJSB-VWLOTQADSA-N 478.553 0.974 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908788 STVQZQZMFSJGHA-DEOSSOPVSA-N 475.542 0.698 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C2)C1 1839173326 KENOQRDQUUHNSU-XUZZJYLKSA-N 476.526 0.694 30 20 JCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1)C(F)(F)F 1839210478 QNCAFMFYNZJHMJ-YWZLYKJASA-N 495.495 0.837 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401224 SKEFQPUPYMIKLZ-QKKBWIMNSA-N 493.358 0.902 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488524 WYWRXPYEOWLPIV-QMHKHESXSA-N 478.513 0.432 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630067 YPMDCIWJCGQCLY-QFIPXVFZSA-N 457.487 0.537 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839733789 FDHPOKZUQGBQJQ-HTEBCRKTSA-N 454.527 0.338 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1839874351 CGTUUZGWBFAPPA-LLJLJFOGSA-N 494.589 0.438 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839962197 XJSMQUUDROYYGU-ATIYNZHBSA-N 479.533 0.997 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2)C1 1840043691 OWPQJXTXNGKENS-LJQANCHMSA-N 496.270 0.515 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1840055341 PNUPEDNDOUFNDA-OPAMFIHVSA-N 469.535 0.475 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1840160583 LSQZQLQBEJOFNW-DVSDUFGPSA-N 487.619 0.379 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1)c1ccc(O)cc1 1840221740 IJNNJNHWKJSBIT-DZRGJMJISA-N 486.569 0.793 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)no1 1840370378 WEWJMGKZXZDJKZ-HSZRJFAPSA-N 454.483 0.933 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840463489 LRSXSKCLDUMJFW-YADARESESA-N 491.589 0.888 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840819744 CGQQIHFAIZRGRV-ZDXRRBIGSA-N 469.542 0.865 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842058744 BVZVCLJYMHPVIU-MRXNPFEDSA-N 454.527 0.895 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CC)NC)C1 1843006990 UVMFCUOLKKUCLC-SJORKVTESA-N 481.594 0.993 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 1847150545 XUSGIFICEIDFRR-ZPUOCTKUSA-N 462.547 0.684 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 502039925 DKJSHLHSVSMWFX-CQSZACIVSA-N 481.534 0.058 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C(=O)NC4CC4)cc3)CC2)cc1 516011078 TYRWVUVCBOWIDJ-UHFFFAOYSA-N 481.534 0.922 30 20 JCED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccccc2O1 518138930 OIVXYIKXKCEKKT-IBGZPJMESA-N 490.476 0.995 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCc2ccc3c(c2)OCCO3)c1=O 524266833 XSHFWWIBPSVUNL-UHFFFAOYSA-N 477.546 0.439 30 20 JCED Cc1ccc(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1S(=O)(=O)NCC#N 561273276 YBVBDOGJWBPRFH-NRFANRHFSA-N 455.496 0.782 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(=O)N(C)C 586828067 QJIVFOGCZBUEEM-UHFFFAOYSA-N 475.592 0.520 30 20 JCED Cc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(Cc3ccccc3)c2=O)cs1 590975606 SCMOLXKLAGUTCE-UHFFFAOYSA-N 495.630 0.675 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C1CC1 591000097 JBJMOFAPTFGQRW-UHFFFAOYSA-N 461.927 0.935 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccn2)c1=O 603795061 KHAMXYHMZWHBBG-UHFFFAOYSA-N 455.584 0.399 30 20 JCED CS(=O)(=O)N[C@@H]1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 603877014 WMSBRBZJFVWLPL-OAHLLOKOSA-N 462.532 0.468 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C1CC1 609350440 RPXVONOSPFHQHW-UHFFFAOYSA-N 460.506 0.474 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1 615206305 FVIRORKDMLKRCD-UHFFFAOYSA-N 450.542 0.693 30 20 JCED CS(=O)(=O)c1ccc(C(N)=NOCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 726788699 XGXQWTRBJPJACM-UHFFFAOYSA-N 480.568 0.260 30 20 JCED N#CCOc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 727947252 AYQFMILCPSYRDR-UHFFFAOYSA-N 465.510 0.906 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCS(C)(=O)=O 729673083 DCPAUSDRIZOKTR-UHFFFAOYSA-N 470.576 0.532 30 20 JCED C#CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 731124835 NNAPOBLCMDRXLR-UHFFFAOYSA-N 471.539 0.300 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 828101673 UKSWTXLZZSKJLC-VYDXJSESSA-N 499.611 0.861 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 837001343 AGWHALWDQIEVTF-NVXWUHKLSA-N 457.574 0.844 30 20 JCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 857567296 MKPYEUPTFJQAOV-UHFFFAOYSA-N 478.513 0.777 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)cc1 858005497 OANJFAZEQVHMBS-RDJZCZTQSA-N 450.513 0.945 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1360312313 OJWYVIZKBXTIJF-IBGZPJMESA-N 459.576 0.665 30 20 JCED CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cn1 1508280930 OWUZPSVZUXKCIB-SFHVURJKSA-N 451.535 0.995 30 20 JCED COCCN1C[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1519193945 VSWLJUMRIOAJOL-VFNWGFHPSA-N 456.482 0.862 30 20 JCED Cc1c(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(=O)n1C1CC1 1559452986 IOBBEBZJNNOTPO-UHFFFAOYSA-N 457.512 0.058 30 20 JCED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)C2=O)cc1 1634913426 IOUGEIKYXVIFDZ-NRFANRHFSA-N 452.559 0.999 30 20 JCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1660986044 IOACPUCUWWWNNP-LBPRGKRZSA-N 453.464 0.891 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNC(=O)C1CC1 1692794047 JKCFZNCAAWVZFP-MRXNPFEDSA-N 486.602 0.613 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1693872412 MWILDTINNJYBCT-XPIZARPCSA-N 476.559 0.464 30 20 JCED CN(C)C(=O)COc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1696594876 WCHUKIUXXJMGMU-IEBWSBKVSA-N 488.570 0.424 30 20 JCED CCc1nn(C)c(CC)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1727480561 UDXMSFOJESZOFA-NQIIRXRSSA-N 494.597 0.960 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1 1729313494 XTDYNVUCTBJYGK-UHFFFAOYSA-N 478.479 0.705 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1768265982 UCERBXUEZINGAH-UHFFFAOYSA-N 489.602 0.783 30 20 JCED CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1769095144 OWROSSQPKITNOP-UHFFFAOYSA-N 494.600 0.570 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1769339244 LJYBXDZXYDENCM-UHFFFAOYSA-N 461.548 0.337 30 20 JCED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1769519122 XETPBWFNUOHXHK-IBGZPJMESA-N 470.530 0.862 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778163513 UCRXXZFYOXUYOZ-SBUREZEXSA-N 478.546 0.575 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)CCO3)c1 1780176399 VBLCOHBSEWKDJI-ZJSXRUAMSA-N 480.525 0.481 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1780739454 KEDPIUOAXPTPDJ-XJWYWRJQSA-N 480.587 0.812 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781168905 XUHOPAHVHKQLGT-VGSWGCGISA-N 475.550 0.200 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783156444 JCVGVRCYPAEDFD-KBJGYGKASA-N 450.536 0.551 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567680 WHIUNVXDOHRBMQ-UZFJHSOTSA-N 461.515 0.551 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1)C(C)(C)S 1783777432 FOPCANXHXHMAMN-DMPWYTOCSA-N 468.620 0.946 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1)C(C)(C)S 1783781590 KOIYHGCDTXSDEJ-IIBYNOLFSA-N 472.608 0.684 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1784087846 AVVIDAQXHIYPCJ-IXFSTUDKSA-N 497.614 0.959 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1784087848 AVVIDAQXHIYPCJ-YZZKKUAISA-N 497.614 0.959 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C[C@@H]21 1788572755 IQQNEUOCCTWQOX-DKIMLUQUSA-N 457.531 0.497 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1788594380 SCQBWRXFZKGACA-OKYOBFRVSA-N 450.656 0.610 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788681076 MBOIXBSVGLYTGZ-BBWMQEJBSA-N 470.530 0.149 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)n4cnnn4)C[C@@H]32)c(C#N)c1 1789842569 CYNQWDPTRQMQRU-QHERXFFYSA-N 453.503 0.337 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790328303 LTTDCXGOIHVURF-IEZWGBDMSA-N 452.515 0.943 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)[C@@H]1CCCS1(=O)=O 1790748249 WISVNTWBDUWVFD-FNWFUWEKSA-N 457.549 0.072 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]3C2)c1 1790911761 HNSVMJFZRANTBC-MQGJPIDWSA-N 458.559 0.194 30 20 JCED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]2C1 1791143148 XZIKECSLCIZYMD-ANULTFPQSA-N 456.580 0.875 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792140859 SHQFHWUZYVCOKF-MHORFTMASA-N 464.563 0.936 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(OC)OC)C[C@@H]21 1792255332 IHRCGQJDACIAHZ-NXOAAHMSSA-N 453.536 0.502 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793784497 QDXUADQQRWMWSV-LORHWOILSA-N 477.562 0.654 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)OC 1795136133 QRRFEDPEVVKEJM-FVSFCRNKSA-N 465.547 0.999 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N 1795503838 UOBGGDZOLRFVMK-FQLMCAECSA-N 455.581 0.672 30 20 JCED CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)nc2C(F)(F)F)CC1 1795994942 MPXDBJGAQZKWAF-CWPLJXCYSA-N 494.518 0.813 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1796301130 NFVISCTUWLCDJD-NZGUISNBSA-N 490.532 0.715 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)C1 1797743237 XEIQWZQCABCDRK-VSLMROLDSA-N 493.605 0.420 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)[C@H](O)C1 1797942309 ADNIAQLZTYFHGT-DLIYGKSNSA-N 463.531 0.721 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CN(C)C1)C2 1798357837 DRUPLEJCVOENQD-FCGDIQPGSA-N 493.605 0.992 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1799365993 ZVMAMPPCKUGGHT-NRUGXNMXSA-N 455.552 0.443 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(C)C 1801555708 YMVGYPYBDONYJI-DMUMMCEESA-N 450.580 0.833 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N)[C@H]1SC(=N)NC1=O 1801992275 AIAHWFWMANDFRG-OZGYESRGSA-N 471.539 0.329 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@H]1c1cccnc1 1802479834 DLBFPMWBSLHCNZ-RJARYPFESA-N 460.498 0.697 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@@H]1c1cccnc1 1802498228 NSNFPCIWFJYFFW-NBHPPDHJSA-N 493.568 0.416 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1808450397 NQIKWNHYFLIBKL-NZQKXSOJSA-N 457.575 0.844 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810246113 SJPLAVLBOLGWLI-SPEDKVCISA-N 454.527 0.976 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810328396 IGMNCCSBRKBJSK-ACIOBRDBSA-N 470.570 0.437 30 20 JCED COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)c(C#N)c1 1819891442 QQSPETIEBKBPMD-AOMKIAJQSA-N 485.566 0.829 30 20 JCED O=C1CN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)C(=O)N1 1824972450 UZFCHVOWCGOORD-AVIJCEJMSA-N 463.535 0.687 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCN2C(=O)OCc1ccccc1 1828758727 MJPIRVPSNGXABY-VWLOTQADSA-N 493.472 0.794 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCN2C(=O)OCc1ccccc1 1829167470 YOJWYBREJKXJIX-XMMPIXPASA-N 476.493 0.274 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)cc1 1829903095 GRENEFGKTANEME-HXUWFJFHSA-N 469.416 0.663 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCOC2=O)CCO3)c(C#N)c1 1831020483 VXEWRLJBLQUCLZ-HSZRJFAPSA-N 472.498 0.018 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(=O)OC(C)C)C2)C1 1831386527 HJOIKWGQOIAXQM-UUOWRZLLSA-N 473.526 0.755 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1831387336 OWIFPEBZFLOOOM-SBUREZEXSA-N 471.489 0.515 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3cccc(Br)c3)C2)C1 1831397351 RDTKOQBKGPFDHK-PERKRYKHSA-N 495.370 0.977 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1831426415 LFQGPDFOQSWHMU-UTKZUKDTSA-N 452.577 0.999 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1 1832025692 IYGIYMNXYWKHCX-XMMPIXPASA-N 466.494 0.252 30 20 JCED Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1833131443 GFRNYWXSUROVBE-BUXOWXEHSA-N 460.531 0.918 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)nc1 1833599974 WSSQDEWHQSWBNK-DEOSSOPVSA-N 498.561 0.935 30 20 JCED CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)CCC1=O 1833689273 GWHOJHUACKBKMK-UHFFFAOYSA-N 471.602 0.865 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C2)C1 1834766144 ZQEXKRRAZPUUJY-KOSHJBKYSA-N 483.573 0.637 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC)CCO2)C1 1834975096 VXXBVWFOSBQFSI-WZONZLPQSA-N 467.563 0.786 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1835101642 BZYDOJOAIHWXJN-DEOSSOPVSA-N 450.495 0.787 30 20 JCED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1835245385 QUXAHJKDBJHPCF-QHCPKHFHSA-N 461.515 0.229 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)[C@H](C)CC)CCO2 1835602436 QCZBRSJPFIQKBI-RAZUEPIFSA-N 480.606 0.733 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642603 RYWIZTALIKYAQI-YZZKKUAISA-N 499.609 0.486 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1835713448 XTKVJWFVQPAJON-GOSISDBHSA-N 471.562 0.176 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCO2)c1ccc(O)cc1 1836150324 MLSHFUGBYSYWFC-WMZHIEFXSA-N 468.514 0.032 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCO2)C1 1836634393 DUGQFUFHOSHZCF-IECBHUPTSA-N 479.574 0.738 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1837392641 GLJVVEHYZCLFCB-RGUAHJAXSA-N 490.557 0.022 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837443408 JKLVALRKQZFYMX-XMHVBLFMSA-N 490.517 0.540 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837444024 WRBAQUAPTNSLGC-XOBIUNJKSA-N 455.519 0.500 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1837445329 PYIYOQSNEBVFDE-IGPUNGKJSA-N 475.502 0.842 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565582 WTBBEZWXKXRBSM-VMZNWUKQSA-N 473.526 0.910 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)[nH]1)CCO2 1837762054 GABPGBRMJIRIKX-PRPIBZDOSA-N 470.448 0.962 30 20 JCED CS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838595260 KFSZGEKSWAIYHV-IBGZPJMESA-N 455.920 0.326 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)nn1C(F)F)CCO2 1838710303 VHUROENYVQAYGK-NYPGBQQYSA-N 467.473 0.515 30 20 JCED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839079296 JQZPWJGREKZVBI-VBOOUTDYSA-N 489.572 0.879 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccnc3OC)C2)C1 1839174075 DGEGVDOEMSQLOI-XMMPIXPASA-N 475.542 0.989 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2)C(C)(C)C 1839222331 KJEAACYZULXPIW-RADWXHQJSA-N 454.568 0.795 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CS(=O)(=O)N4CCCC4)C3)C2)cc1 1839362081 WKVVLXNQGLKQHF-QHCPKHFHSA-N 490.582 0.248 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c1 1839422651 GDLXVMOQZLDGHC-OAQYLSRUSA-N 492.554 0.628 30 20 JCED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487441 IJDNVVIMTDZALT-QHCPKHFHSA-N 468.514 0.373 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839646653 KBNLAAUMEWVRFO-AMAJRSCESA-N 461.540 0.983 30 20 JCED C[C@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839745291 LSWXRDKWHBQQQQ-IZZNHLLZSA-N 493.564 0.770 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Cl)ccc(Cl)c3O)C2)C1 1840043820 WDWALJCNRQTKKV-IBGZPJMESA-N 457.266 0.857 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)C2)C1 1840044190 POKCTWISKTZXRM-BTFLMBNSSA-N 452.385 0.662 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1840088303 XPPOFTLNFIBIFS-DRSNIGMVSA-N 453.536 0.394 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840107460 LVRLENJIQIFPIQ-DEOSSOPVSA-N 470.526 0.406 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCSC)CCO3)c(C#N)c1 1840199604 GAZBZJFRPVSSCN-NZQKXSOJSA-N 477.583 0.680 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1nc(C)cc1C)CCO2 1840344975 WCYYICLSOIZNMO-IYZQMXKPSA-N 459.547 0.205 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4cnnn4)C3)C2)cc1C#N 1840764102 JLOLRKLWQCMMOA-SBUREZEXSA-N 483.529 0.663 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)c(C)n2n1 1840814037 LEACYZQCHOVMLT-JOCHJYFZSA-N 453.503 0.505 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)C1 1840818348 XKEWVHPWQWBSSD-RRQZXNHTSA-N 485.537 0.983 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840906828 KJZICDNHUZPRPQ-SBUREZEXSA-N 462.547 0.909 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cccn3)C2)C1 1840908085 ADLKPYRUBZGUOR-JXQFQVJHSA-N 489.573 0.817 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1840912715 MOZRCAHYOMVMOX-UOKFIYJESA-N 479.574 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1841054817 HSEYGNPITKWJCD-HJWRWDBZSA-N 452.471 0.354 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC)NC)C1 1843004631 UVMFCUOLKKUCLC-DLBZAZTESA-N 481.594 0.993 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(C)=O)C2 1846366196 YZPNFTDAYKNFLQ-INIZCTEOSA-N 481.550 0.131 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2cccc(F)c2)NC(C)=O)C1 1847008447 PYHWXKLUGHTOJE-ZTBDEIDFSA-N 456.518 0.935 30 20 JCED COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 516096011 GQTQXWJDHIAWBB-INIZCTEOSA-N 486.554 0.554 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 518715481 RWJHMBDCTMYPCH-UHFFFAOYSA-N 473.461 0.983 30 20 JCED Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n([C@H]2CCS(=O)(=O)C2)n1 603650641 FTKVCIHEBFBSBB-KRWDZBQOSA-N 492.583 0.961 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(C(N)=O)cc1 608828093 FMMNNWINDWARHS-UHFFFAOYSA-N 468.560 0.715 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(OC)nc1 726961519 JWSWJPMPAFVISQ-UHFFFAOYSA-N 482.566 0.309 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCS(C)(=O)=O 729671647 SNSIOQLKWZNFSD-UHFFFAOYSA-N 496.632 0.476 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)CC(C)(C)O4)c(=O)n2CCOC)CC1 729671730 NTHNATUFSSXUTL-UHFFFAOYSA-N 496.633 0.937 30 20 JCED CC(=O)N[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 749161136 DJHVXSBMWHDTCK-LJQANCHMSA-N 450.517 0.095 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1 763708923 KYRDAIUDVPTQJQ-UHFFFAOYSA-N 485.522 0.756 30 20 JCED CN(CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)S(=O)(=O)c1ccc(F)cc1 1128593773 WVQTZGJCFFZQBX-UHFFFAOYSA-N 454.505 0.301 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cc(=O)n4ccccc4n3)CC2)cc1 1312946858 JWVRKEOVMOLDND-UHFFFAOYSA-N 452.496 0.782 30 20 JCED CS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1505147913 XAINCBYRDVLKSE-FQEVSTJZSA-N 473.603 0.915 30 20 JCED Cc1cc(NC(=O)Cn2cc(Br)cc(C#N)c2=O)n([C@@H]2CCS(=O)(=O)C2)n1 1559420605 ZYXFDCAMRRSDTM-CYBMUJFWSA-N 454.306 0.986 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 1565620951 JRVKNLLAKWPYQH-AWEZNQCLSA-N 450.542 0.937 30 20 JCED C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)N1CCOCC1 1611601010 JRWUGUFQPKXZMK-SFHVURJKSA-N 483.573 0.920 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1Cn1cccn1 1611711335 MQDDYTPBRZZTFL-QFBILLFUSA-N 470.559 0.910 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1N1CCOCC1 1751224921 UFRRVDZNXDQLDS-MGPUTAFESA-N 478.554 0.610 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CCO1 1769243471 LWDHIAJSHBXOCD-CQSZACIVSA-N 451.409 0.446 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778139670 PJQLVLCLBMMJKO-VBKZILBWSA-N 471.457 0.549 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ncccn3n2)C1 1778586134 RQJYMYZLKNSCJS-OPAMFIHVSA-N 454.535 0.534 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1778978162 DLXXEKYSWMIDCJ-SAHWJRBASA-N 469.579 0.665 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779072804 MOMJSBZBHJGKRT-NZQKXSOJSA-N 475.473 0.565 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1781018106 UQCBPPSGSAJUQH-RHVSLNNASA-N 450.536 0.588 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1781169186 JHKBGYJUIVPESR-GGUMNFRJSA-N 476.574 0.649 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c(C#N)c1 1781173041 PDXXEWKFGLETNF-HSZRJFAPSA-N 465.466 0.741 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)c(C#N)c1 1781173466 DMDOVUXNWOGRJD-CLOONOSVSA-N 469.586 0.575 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1781269603 BMEIYLCURQYLKX-XFAGBWLFSA-N 495.573 0.554 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2ccccn2)C1 1781488279 YJWUPBVRWMPBRH-YYTKYJTOSA-N 456.543 0.752 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)NCc3ccco3)C[C@@H]21 1783531632 QMFPEJRIULIDHD-GKAUEETLSA-N 470.526 0.290 30 20 JCED CCSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563877 DJNPCYCJHUDSIE-OPAMFIHVSA-N 483.587 0.941 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1785572056 HHQVOUKLHLHVMK-XDHUDOTRSA-N 472.542 0.745 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785707182 FGEVVMBHMFQGBO-MRHSLFKSSA-N 451.545 0.670 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1788655364 DUJARNKVZYGENL-RPRNSFCFSA-N 473.530 0.320 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1791543559 CVNVJLTVPCYXKM-UVUJQTEASA-N 464.526 0.622 30 20 JCED O=C(CSc1nc[nH]n1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791559432 ZCOAMGUPDLRHAS-YPEIWVSOSA-N 452.537 0.406 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1792146122 GJMDAPLJJHIBKE-QRFRQXIXSA-N 476.493 0.979 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc3ccc([N+](=O)[O-])cc31)C2 1792484321 CYQSOCXWOBQZQW-DYEKOGJISA-N 481.509 0.998 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1792792340 DDNVORUMRGTNNF-MBKNMEHVSA-N 477.649 0.556 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1793380119 MVYCUFIXARCUKN-PMUIAIRXSA-N 450.561 0.537 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793419056 IWHJUDPNMIJXJM-QEOTZNIISA-N 466.535 0.544 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599995 OCYNNLMJIIIERK-IZZQQSIFSA-N 481.594 0.399 30 20 JCED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797785132 HWQXMPGTTORSEZ-JHDGKUDLSA-N 466.575 0.344 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797838575 BTIBVMIMKMWIBG-OFHJESTESA-N 490.557 0.924 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O)c1ccccc1 1797967469 CJARHDHWGRWSRB-ISBRNDMJSA-N 455.555 0.924 30 20 JCED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)nc1Br 1798389233 QYNXNASWNTYJMR-CULMDFNYSA-N 452.261 0.144 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COc1ccccc1N)NC(=O)OC(C)(C)C)C2 1800453787 RJYHTOABWAPLPX-HPNQWNLUSA-N 472.542 0.764 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)C1 1801052613 VJRMMLKEEZCFIH-WWMJAGMXSA-N 490.557 0.660 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)NC(=O)OCC)C3)N(C(=O)OC(C)(C)C)C1 1801102270 CSJHYYDOXIEDBK-CNMWIUBYSA-N 496.561 0.206 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1808270562 FAOPBAIWTIWHMR-FUMNGEBKSA-N 472.590 0.939 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]2c2cccnc2)ccc1F 1808563500 XXZLEISCRFBHFC-WGGBDISSSA-N 466.517 0.934 30 20 JCED O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1)c1cc(=O)n2[nH]cnc2n1 1817468578 DYPPUOQSNLDTFW-PZRATYCBSA-N 483.489 0.976 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2C1 1818638592 FQRNIDIYCMIOKC-UKRRQHHQSA-N 468.601 0.765 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCN2C(=O)OCc1ccccc1 1829003458 LQMTUNVNTUXJAR-VWLOTQADSA-N 462.506 0.934 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1829773435 JDKHGEOOYSQKFN-KWQGRVAKSA-N 484.553 0.121 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468162 FWUUBUPFRGBZRV-XMSQKQJNSA-N 462.934 0.595 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCN3C)CCO2)C1 1832068686 HFLHDIZKJUSGBE-IMWIBFENSA-N 478.590 0.454 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1833482579 BMULRRRXUQSENE-VQIMIIECSA-N 457.637 0.812 30 20 JCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1833704488 FPDNIBPXONQBOF-INIZCTEOSA-N 460.666 0.805 30 20 JCED C=CCCc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c(O)n1 1834026316 HKQSJQYECJYBEI-FQEVSTJZSA-N 498.584 0.689 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5n(n4)CCNC5=O)CCO3)C2)c1 1834563933 MBJDYMXBNZHTDQ-HSZRJFAPSA-N 482.472 0.021 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834755622 GOEFOHBLOZNSJS-KUDFPVQQSA-N 454.524 0.285 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834794268 ZUNIOYKYHHHGLO-UHFFFAOYSA-N 471.562 0.586 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835345798 CGBXKWQRPUXSBF-QFIPXVFZSA-N 466.535 0.288 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1835713234 KRQQNECEWFTPJT-UWJYYQICSA-N 486.617 0.740 30 20 JCED O=C(O)CSCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835768865 MBCMGFIGUBBFQN-XWRADEMYSA-N 470.592 0.905 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835997281 JHRPVKFAYUZODG-DEOSSOPVSA-N 457.527 0.003 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CNC(=O)c2ccco2)CCO3)c1 1836121907 WVOZJXJFMLUBAM-VWLOTQADSA-N 480.521 0.970 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836255658 MDEUMZNOESEOCY-QFIPXVFZSA-N 478.571 0.677 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1)n1cncn1 1836520614 OCZJQNKEKNUUEK-ZAHAJLKSSA-N 459.528 0.796 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837297646 XKFMZAFKJZXHSU-NSXLHWASSA-N 473.526 0.751 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1837524374 AGFUCPBMCBJCFR-JLNKSRCVSA-N 495.573 0.951 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1837526835 WBULZQJYUDVTNV-DQFTVGBOSA-N 467.910 0.729 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527027 INDUHRWFHWAGHS-MHPMKTAKSA-N 475.546 0.867 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837527807 WTTPZNYMABYLST-FGKIGFKSSA-N 452.552 0.458 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1837531680 SWECXGBTNJVOMR-JCFVMIBISA-N 450.467 0.820 30 20 JCED CN(C)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561254 FFCTYFQDRIZADX-MEXCQQPDSA-N 455.515 0.930 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837693511 UVPATKLZSIHRRQ-GAJHUEQPSA-N 459.930 0.839 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc4c(n3)NC(=O)CC4)CC2)CC1 1838022660 VLGIYVHUPBFKMM-UHFFFAOYSA-N 454.483 0.667 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838358136 PGYIPIUOYPGHFX-HWZSRVGFSA-N 484.550 0.579 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Cn4cncn4)C3)C2)c1 1838582302 JOTFZFHYNSHBPW-UZUQRXQVSA-N 468.514 0.565 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1Cl 1838598100 NLODSKVHIVLTKG-DYESRHJHSA-N 481.958 0.859 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598367 CSQLPFFQYAJABG-LAUBAEHRSA-N 480.905 0.346 30 20 JCED CN(CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1)C(=O)C(=O)O 1838676792 XDMPKCPAAUOAMG-UHFFFAOYSA-N 470.526 0.908 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)cc1 1838952985 LXZGPHSBJYMEEX-QHCPKHFHSA-N 481.465 0.398 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1839175495 MYMXFCFBMZYRAG-HXUWFJFHSA-N 450.448 0.502 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1839175997 PEPLVWOKAHTWLK-XMMPIXPASA-N 495.573 0.821 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)ccc1F 1839186535 ZRVCAXPYFSZJHR-UPVQGACJSA-N 467.501 0.791 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(NC(C)=O)c1ccccc1F)CCO2 1839234180 XXGDXDGNFSHCLK-MUEKUWCCSA-N 489.544 0.672 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1839387579 ODNIJRRIMJIGPR-ZOCZFRKYSA-N 472.539 0.087 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)c1 1839420202 VIHOLAJKNMEMDM-QFIPXVFZSA-N 469.429 0.569 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)c1 1839420800 FOLWGOCXYVEMJE-LJQANCHMSA-N 473.379 0.873 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nc2nccn12 1839549022 PGSYARIBJVXBGV-AMFJNGDOSA-N 466.498 0.820 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2ccncc2=O)CCO3)c1 1839662222 AEHUMLSSCAJDLF-XMMPIXPASA-N 465.510 0.204 30 20 JCED CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840045026 MWIUYQKIMSOEFE-XCNDVJPKSA-N 493.557 0.614 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1840077761 KNQCQJGUEAAVEK-SIKLNZKXSA-N 473.567 0.313 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219444 NZAZGZFZBSWLSP-RVHYNSKXSA-N 473.592 0.133 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1840817462 BGQIAIRZUKOAQO-CFUMORPUSA-N 493.605 0.783 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1840909047 LQELMJCXRBXDPY-SBUREZEXSA-N 473.530 0.463 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1840909618 XZFFEOTWRAEROF-QRQCRPRQSA-N 493.586 0.712 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840912741 OEXNJGASKYUFNJ-DURYTUKUSA-N 491.545 0.655 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C=CCN2)C1 1843334307 IQLCTGVKHGVDEX-IRXDYDNUSA-N 477.562 0.523 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1c(I)ccnc1F)C2 1846195650 OWHVFGWSTDPQAL-UHFFFAOYSA-N 457.199 0.730 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1847814731 RZGSOPOSGAOYPC-ULQDDVLXSA-N 452.552 0.940 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3[nH]c(=O)c4ccccc4c3=O)CC2)cc1 16776171 OCPVLWTXWHDZSG-UHFFFAOYSA-N 467.507 0.485 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(CN4C(=O)CNC4=O)c3)CC2)cc1 25453531 NKOXTHGBKQXBNW-UHFFFAOYSA-N 467.507 0.757 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3c2OCCCO3)c1=O 523081435 KYCQLAICBKAQRY-UHFFFAOYSA-N 473.551 0.373 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 603995147 YJJRCMIASXFIKX-UHFFFAOYSA-N 453.520 0.580 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 608912928 JZYRDZFRFHMSFU-UHFFFAOYSA-N 491.591 0.364 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(O)cc2)CC1 727539593 SSIMUYWSMUYBKO-UHFFFAOYSA-N 486.506 0.070 30 20 JCED O=C(CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1)NCc1ccccc1 821692725 XUMUPPUTVDDNPK-UHFFFAOYSA-N 469.567 0.576 30 20 JCED N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(N4C[C@H](C(=O)O)CC4=O)cc3)CC2)c1 914792037 ZQOIZXFLJKDYIE-MRXNPFEDSA-N 455.496 0.902 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)o1 915365330 HTWUSPNDZPIPNO-HOTGVXAUSA-N 457.487 0.612 30 20 JCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 917034748 WZJWJDQRMIJCAZ-WBVHZDCISA-N 460.512 0.228 30 20 JCED Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 919132520 UOIUEQFTGHHXQY-UHFFFAOYSA-N 458.418 0.428 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)CC2)o1 919244501 JBGLFURHBOQJFM-HSZRJFAPSA-N 498.471 0.653 30 20 JCED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 919664362 FTQLIYBNCMEUBZ-SFHVURJKSA-N 450.517 0.015 30 20 JCED C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N1CCS(=O)(=O)CC1 1136613147 JYHYMERQKQOREA-GXTWGEPZSA-N 452.920 0.326 30 20 JCED CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C[C@@H](O)CN1CCOCC1 1191477171 VJEVTZFIAOANBI-RTBURBONSA-N 459.591 0.981 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1 1360476392 LELMASIWCCPSGE-CLCXKQKWSA-N 452.537 0.850 30 20 JCED C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1508434079 MNUUTOQBZITUGS-JKSUJKDBSA-N 460.560 0.933 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1547433180 WJODLLJFYWJNFK-HOJAQTOUSA-N 494.666 0.518 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1555814536 ZFJDWEYMBGZTEO-DLBZAZTESA-N 486.620 0.176 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCS(=O)(=O)CC1CC1 1611685116 WCBQTSGDSXMJPR-CQSZACIVSA-N 458.610 0.843 30 20 JCED CO[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1697650252 MNVBULKBHNYXCI-JEWRLFTDSA-N 456.544 0.868 30 20 JCED CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1705977315 RNNMCOKJCHONHH-OAQYLSRUSA-N 458.544 0.425 30 20 JCED CS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1731009000 PBUWAYITAXNWHP-UHFFFAOYSA-N 458.548 0.038 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(CC(F)(F)F)CC1 1741943846 IQIBKPPFAGMXLG-DZGCQCFKSA-N 479.529 0.891 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1778371147 OJRINAFKZUTHDD-HSZRJFAPSA-N 472.546 0.886 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1778978157 DLXXEKYSWMIDCJ-DGGJZMOXSA-N 469.579 0.665 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779136850 DEFYDQZWWZYQFF-GDUZSCBASA-N 477.562 0.771 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1780539435 OQZPZQNCRMDUMU-DZKLMBRESA-N 494.639 0.673 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1781169185 JHDMBZVCPDHXMC-WAIKUNEKSA-N 475.546 0.389 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)CO1)CCO2 1783052957 KKZFAEMOHJSCKJ-FOIQADDNSA-N 457.474 0.721 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783487935 NQDOYFHGJGQUPG-UDNQCKOASA-N 461.515 0.692 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C1CCOCC1 1783566020 VVHXNUVNMJORJT-MHECFPHRSA-N 493.557 0.614 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CN4CCCCC4=O)C3)C2)c(C#N)c1 1783758345 LTVGWICZQSCILI-XMMPIXPASA-N 454.527 0.952 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@H](CC)NC(N)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089418 DUVUDRFVDKCFIO-HKARXFIJSA-N 479.578 0.829 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ncn3)[C@H]2C1 1784668134 AYAZYYFMHSXMTE-OVWQWFNUSA-N 473.530 0.692 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)N2CCOCC2)CCO3)cc1C#N 1785196750 NZFAXCQIWCCCFA-VWNXMTODSA-N 472.542 0.440 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1785278785 QOYNXGALXJKFRP-HMLKYZKVSA-N 454.527 0.690 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786705175 LQFVMPFQSCKDFJ-NBOOPKSLSA-N 466.535 0.726 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cncn4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1787090389 OGFJIYCTIRNMSI-VJANTYMQSA-N 474.562 0.823 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1ccc2ncnn2c1 1788452100 OXYLCLFQPHQLAZ-VQMJWWPRSA-N 456.503 0.852 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789765290 DXOZYGIGDMITHA-IVVAJLDBSA-N 458.559 0.226 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1789904460 QWSKXMLRWXOONX-VJANTYMQSA-N 466.579 0.962 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOCCOC)[C@H]2C1 1789949881 PFIQUJUDIAZSCC-CMOCDZPBSA-N 486.606 0.644 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5nccnc5C(N)=O)C[C@@H]43)c2c1 1790327523 PHQHUIBFNBFPNO-QRTARXTBSA-N 474.481 0.231 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1nc2ccc(F)cn2n1 1790530012 XQWLSOLYDNHIHQ-QEPNCWKMSA-N 457.510 0.933 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)C1 1792633285 JPOWMEYDDALYBC-BPKGMFCQSA-N 450.536 0.354 30 20 JCED CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccc(Cl)cc2)CC1 1792834343 DOSYCEYUSKXPSZ-IRJINJETSA-N 458.990 0.919 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(-c2cccnc2)c1 1794442232 VMSYOCBWNFFRNX-DBXBBDQRSA-N 450.499 0.329 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)[C@H]2C1 1795412441 DOXRWPHPYBKUQT-JWXAEQQXSA-N 474.558 0.762 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(=O)n2O)C3)c(C(F)(F)F)n1 1795996718 DTMIFACQHRIBTH-DPIQGUFMSA-N 477.399 0.888 30 20 JCED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)nn1-c1ccccc1F 1796025015 XBXFXCCZNSGXBR-GFENJXEQSA-N 456.430 0.311 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N(C)C(C)=O 1796458492 CVMXSZZTKKKQMX-GYFISPQKSA-N 464.563 0.359 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797684372 WFQPQIJZUIOIBH-BASYENTBSA-N 463.535 0.311 30 20 JCED CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3(O)CCCCC3)cc2C1 1797783749 GCILSZZOTCMZNQ-BBIADKPPSA-N 469.586 0.620 30 20 JCED CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/O[C@H]3CCCCO3)cc2C1 1797816378 JTFXRALAJXMRTO-BUMCKDRWSA-N 474.562 0.451 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cc1 1797818493 PANWXPLVZSCJFA-XIAMFXPOSA-N 472.542 0.843 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1799334552 MWKZRPSLPJFKGA-XAPVIXHLSA-N 482.541 0.739 30 20 JCED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1800836635 RUVNIBDSUURBBD-RUMRUAAYSA-N 459.543 0.760 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)ccc1Br 1801734379 NTSAJMSCCSJPLF-BCDXTJNWSA-N 479.375 0.859 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@@H](N)C(N)=O)C3)cc1C#N 1801848560 AVSRFNDPUUCNTB-BMQTXXJKSA-N 457.531 0.141 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[S@@](=O)CC)C2 1802125160 ABPFCZAISPWASW-HPJXXVIVSA-N 469.604 0.651 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1C)C2 1802126994 DJPZZCVRIDGIHE-AJYBTWMASA-N 459.547 0.698 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccnc1 1802480084 AGFGCAYNAWKLPL-PGHKVSDBSA-N 453.459 0.891 30 20 JCED N#CC1(C(=O)N2CC[C@H](CNC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[C@H]2c2cccnc2)CC1 1812443440 OAPZBUVUIYAWIZ-AJYBTWMASA-N 496.593 0.571 30 20 JCED CN(C)C(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1828513283 HBGGNDGUKDODRX-HSZRJFAPSA-N 470.530 0.623 30 20 JCED CC(=O)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828837217 MPKCROGYQVVRGF-DEOSSOPVSA-N 469.494 0.896 30 20 JCED Cc1noc(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1829010989 BOMHMHUAKOTRQE-XMMPIXPASA-N 495.492 0.461 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C3)C2)C1 1829661213 PERBXPXAJUFTBF-FDDCHVKYSA-N 467.563 0.685 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)cc1 1829903094 GRENEFGKTANEME-FQEVSTJZSA-N 469.416 0.663 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCO2 1831109693 VBPHRACRAXWNCJ-HXAGEGRHSA-N 483.565 0.530 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831147439 HBBCAPIKBKNNSW-RUZDIDTESA-N 487.553 0.724 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C2)C1 1831386605 AXVQSIZKHVJCOT-HFZDXXHNSA-N 484.597 0.547 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)cc3)C2)C1 1831398801 LPMVALBXBCFZHO-CYFREDJKSA-N 452.511 0.981 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831966661 MDCYCADNXUFAJZ-OAQYLSRUSA-N 453.442 0.939 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831997941 IQCISMYQLRBKHV-KSFYIVLOSA-N 478.550 0.355 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1831998830 MFLFYUOPRBRBET-CYFREDJKSA-N 489.573 0.945 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832493900 WPCXAOHALQBUBA-PHWUDJAYSA-N 471.510 0.141 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832498648 GYXXBECOTRAFIZ-GBXCKJPGSA-N 474.510 0.792 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)Nc3cnccn3)CC2)CC1 1833074965 IWSCOLPQZNSFPQ-PYTPGESOSA-N 469.590 0.707 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n(C)n1 1833449613 YYSITBGHSFEBRS-QHCPKHFHSA-N 469.498 0.449 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833569821 ICNLDRFBVMDNNT-MVEKFVFXSA-N 481.481 0.381 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2ccnc2)CCO3)c(C#N)c1 1834385807 CKAWHMYEFNARSU-QHCPKHFHSA-N 453.499 0.462 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)nc1 1835096739 IOCQZVUWEGKFKR-XMMPIXPASA-N 483.546 0.607 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835362495 MIOJSICLIXGKDB-IMRHEYAYSA-N 480.562 0.507 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c1 1835641792 SHNLNLXBOPYFMN-SBUREZEXSA-N 454.531 0.224 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1835677680 UCBUCMCJNHAJQL-AREMUKBSSA-N 497.596 0.771 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1835677731 WAPUFDUQZFGPSN-AREMUKBSSA-N 499.612 0.875 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1835748319 QKHLNZNCCDTAOL-UHFFFAOYSA-N 460.575 0.709 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835844392 GREMPDPFXJUYLH-VQTJNVASSA-N 452.596 0.282 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836111472 XCQCDLSKNBGIEI-IQTGRTGDSA-N 459.528 0.737 30 20 JCED O=C1CN(CC(=O)N2CCC(OC3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)C(=O)N1 1837076956 LUKLVZFCYVKHDV-UHFFFAOYSA-N 474.558 0.235 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837196606 SEHCZEBHUWXAME-DEOSSOPVSA-N 467.526 0.727 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1837403184 ILDXEVGQVFJJSF-WVMBUTMQSA-N 474.558 0.229 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837496644 NDUXFIPQIIQOLH-RDPSFJRHSA-N 463.575 0.446 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1837502777 OKDBYIBZSSRWCF-KNQAVFIVSA-N 452.504 0.131 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837529746 DWPDQOLRWQTFER-IKAIYALRSA-N 479.486 0.402 30 20 JCED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)N4CCOCC4)CC3)CC2)cc1 1838402324 ZBZPQSWUKRFTNK-DEOSSOPVSA-N 456.543 0.821 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1838435390 SGJFKALMSJKOIE-FQEVSTJZSA-N 467.563 0.646 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(-n5ccnc5)ccn4)CCO3)C2)c1 1838796214 SEMCKDXPEZHAAK-QHCPKHFHSA-N 461.482 0.851 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1839223005 HVPYRSGTFXSWSR-VGSWGCGISA-N 496.586 0.497 30 20 JCED CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1839401342 ZICWZPQVLAUUEB-HXUWFJFHSA-N 479.331 0.527 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C(=O)OC(C)(C)C)C4)C2)C1 1839807588 HUKWGRORYOSXLG-XMMPIXPASA-N 487.557 0.727 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C2)C1)C(F)(F)F 1839893159 NMQQFQCKEQVMLY-ZMNCSTGQSA-N 464.466 0.364 30 20 JCED Cc1cc(O)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1Br 1840043833 WPZPPFIWFVFKMT-HXUWFJFHSA-N 481.299 0.621 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)CCO2 1840313698 ZGOLAUYMBBRWAA-RDPSFJRHSA-N 455.511 0.195 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2)C1 1840841911 BRAQTVDEMYGUOP-HTAPYJJXSA-N 453.536 0.396 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840843471 RMMPDADKIDNDQC-VGOFRKELSA-N 453.536 0.132 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnc3)C2)C1 1840906453 BZBFKZRBWNAWBB-IMWIBFENSA-N 489.573 0.817 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840908895 RHMXGDPNWBXFDC-VWKPWSFCSA-N 455.577 0.678 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)[C@@H]2CNC(=O)O2)C3)CC1 1845137038 ZKMYPTQWEJZMEE-HNNXBMFYSA-N 461.519 0.839 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C1 1845887634 LMPJCWVHAZUSIE-QZTJIDSGSA-N 478.590 0.990 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196324 LJGYNWGLBQMXSF-CQSZACIVSA-N 451.476 0.124 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C 1847802813 LCEQLDGASJJGGK-MHORFTMASA-N 478.594 0.383 30 20 JCED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 26754425 MTJLRHFEQQFKJL-KRWDZBQOSA-N 470.573 0.384 30 20 JCED Cn1c(=O)c2nc(Br)n(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)c2n(C)c1=O 72033982 WNKFPLUIYFPZAV-UHFFFAOYSA-N 483.286 0.892 30 20 JCED N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O 524282793 LGXOUUBUCUVDBP-UHFFFAOYSA-N 480.477 0.447 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2c(F)cccc2F)c1=O 603796380 QBYUGZXYLZZIAM-UHFFFAOYSA-N 476.549 0.795 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2cccc(C(N)=O)c2)c1 726729718 AFQNRRSHECMYJX-XHPQRKPJSA-N 471.539 0.896 30 20 JCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 727233453 QCOTWNOIVHISJD-AWEZNQCLSA-N 487.314 0.969 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCc1cccnc1 727814334 QSEQCJOQGSSWHK-UHFFFAOYSA-N 480.594 0.765 30 20 JCED CCN(C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 729687610 VGISUXXDSASRKM-HOCLYGCPSA-N 471.557 0.459 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCCc2ccccc2)c1 747007015 OKXBDBGCDRVMSS-NHFJDJAPSA-N 485.566 0.913 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 838250513 MJEIIRYTXGXRRJ-UHFFFAOYSA-N 461.927 0.762 30 20 JCED Cn1c(=O)c2cc(NC(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)cnc2n(C)c1=O 838967411 UHSCZVQKUYQRKF-UHFFFAOYSA-N 484.538 0.870 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)c1 918300136 ZLGOVIDWELDQHH-NKFKGCMQSA-N 461.544 0.519 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCN(c2ccccc2)C1 918873194 ZORGIDRALIGHQQ-MRXNPFEDSA-N 456.524 0.911 30 20 JCED C[C@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)CC2)C1 919034601 WGMOFPKULBFFIW-KRWDZBQOSA-N 490.582 0.877 30 20 JCED CC(C)N(CCCNC(=O)COC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)S(C)(=O)=O 919548708 SPWSPBJFXVZXKZ-UHFFFAOYSA-N 462.532 0.659 30 20 JCED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 919816465 DVELYFRDGZEDEP-HKUYNNGSSA-N 469.585 0.623 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1136427556 PTYFBPSUAPIXCT-XIRDDKMYSA-N 455.558 0.420 30 20 JCED COCCN1C[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1=O 1316117586 NVGCYGSPSNVUKZ-GDBMZVCRSA-N 453.569 0.123 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCOCC1 1541804473 WROPQLLFINWCBV-HZPDHXFCSA-N 456.569 0.281 30 20 JCED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1612657858 MDTAZPCBFUBPHR-HNNXBMFYSA-N 458.544 0.973 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCO1 1711368822 PAQPZEULJNFENC-QGZVFWFLSA-N 462.532 0.115 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1729373627 QIDFKFGLKYTGOI-KRWDZBQOSA-N 458.544 0.546 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@](C)(O)C(C)C)CC2)c1C#N 1742669163 JTZIEUIEYNVZPA-VGSWGCGISA-N 455.567 0.876 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCOCC1 1749097256 QVXKSRNNGRTHKD-QGZVFWFLSA-N 456.503 0.843 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1763275657 SSZHYUMWWXONFB-GAJHUEQPSA-N 470.530 0.564 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1768245334 JJKVAADQYIXIKZ-FQEVSTJZSA-N 485.614 0.994 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1=O 1769896781 QOVGVFQEIKMYAH-UHFFFAOYSA-N 467.574 0.959 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)c(C#N)c1 1777830785 JCXXUWCOIAGSLP-HSZRJFAPSA-N 461.482 0.691 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778055200 MAPMRDJZGIXEIE-XDHUDOTRSA-N 480.525 0.587 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)C1=O 1778710698 IIZOSAMNPFZABR-RUZDIDTESA-N 465.506 0.964 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCN(C)CC1)C2 1779333078 VODMFQYARNCDAW-DCLXLUIPSA-N 450.624 0.711 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1779525977 UTSSVQSYSZVVMR-QFIPXVFZSA-N 451.439 0.812 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2nc4ncccn4n2)CCO3)c(C#N)c1 1781172828 XMVCEPSRSXJHTM-QHCPKHFHSA-N 461.482 0.691 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781339976 KMCRDMRCXLOJKO-FYHILUAMSA-N 498.577 0.621 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=S)NCC)C1 1781473576 AOLNVSYEPXPMEP-IIBYNOLFSA-N 454.593 0.494 30 20 JCED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C[C@@H]2C[C@@H]21 1782009756 XZPHTKPDYHGXGE-MNAFTKGFSA-N 475.542 0.986 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(Br)c1[N+](=O)[O-])CCO2 1783563506 SJXUEIYYZKDWAE-SFHVURJKSA-N 466.244 0.889 30 20 JCED CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567203 IMIUZUMIUXXQML-AOMKIAJQSA-N 451.520 0.701 30 20 JCED COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783665194 VEDIFBTTZWQSRA-QFIPXVFZSA-N 454.568 0.168 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)cc1C#N 1785193619 CLEPRZBUJWTJSQ-UZUQRXQVSA-N 469.498 0.387 30 20 JCED NC(=O)c1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1785519960 MQNFTDZCZQXIJV-ZKHFINFJSA-N 459.503 0.303 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(C3(NC(=O)C#CC4CC4)CCC3)cc2)n(C)c1=O 1786789618 WQDZRAVFUHNCOH-UHFFFAOYSA-N 474.521 0.981 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787152684 XVDRUAINUFPWLX-HUBLWGQQSA-N 458.487 0.643 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787939813 ADZLYBQNDBCHTB-FJIDUMEYSA-N 497.556 0.634 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1)NC(=O)OC(C)(C)C 1789766677 QOLGOQLWCZPKTF-RABCQHRBSA-N 480.606 0.548 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(=O)(=O)N4CCCC4)C[C@@H]32)c1 1790270255 KFVWYRBAJIMWFI-JBACZVJFSA-N 474.583 0.886 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)O)[C@H]2C1 1791049882 RSHHGEWCWXOGIB-ICUGJSFKSA-N 498.577 0.152 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1791260773 STRBDGYOYLHDJY-PTTAZLHSSA-N 455.577 0.863 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791330247 XPTHTCIVCHPGTJ-DQIRUUEWSA-N 481.590 0.929 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NNC(=O)C4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791378854 FQELQBMLELEZDB-LAQRGFTBSA-N 475.546 0.408 30 20 JCED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2 1792635887 MORCKHUURFNXTM-SSTJLMRISA-N 484.553 0.898 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2cccnc2)C3)c1 1792828697 YKPNJWBDLIDQPD-RUMRUAAYSA-N 461.522 0.905 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793166782 DOFHLBPJAJRRTD-AJFQYHAUSA-N 478.546 0.498 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C[C@@H]1CCOC1)NC(=O)OC(C)(C)C)C2 1793342946 BGTRJAAWLFIYIQ-JRBOJVLQSA-N 493.601 0.934 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1793599223 RXADIFDCWBTUHW-UIVXKWKOSA-N 491.545 0.620 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O 1796321239 REZUPARJKJAVLB-RHQZKXFESA-N 493.605 0.720 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC)C2 1797669540 VRBGPNYWNWBNNY-KYHPRHEASA-N 484.550 0.028 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2)c1ccccc1 1797879707 JYNWIVRTCZVGPN-JTJHWIPRSA-N 455.511 0.316 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(C#N)c[nH]3)=NO2)C1 1798694617 JQEZMCXESXAJPJ-HGKCTWBKSA-N 498.540 0.855 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C 1799250077 ZHZIZCNGYUTUAV-PKRADWSKSA-N 495.573 0.461 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOCCOC 1799383112 PABCZOUVBBHPDZ-IIZPIQPGSA-N 486.606 0.235 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)NC(=O)OC(C)(C)C)c1 1799682776 YOCOXGWPVVMWQP-WQDJSCAQSA-N 474.514 0.613 30 20 JCED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800906768 CTXOAKULAZAQEP-USACIQFYSA-N 486.635 0.702 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2)C(C)(C)S 1800907582 BBKCQDZILGZHPA-SSRUIJIPSA-N 484.619 0.456 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cnccn1 1801448314 HFXMALNJQOAKPB-MOSHOXMJSA-N 469.542 0.996 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801991983 AVHHHUMQQQPXGY-UMPJEAMMSA-N 451.476 0.169 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N(C)C)o1)C2 1802124610 CCZDSNBMDDSTEO-KYHPRHEASA-N 475.546 0.860 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@H]1c1cccnc1 1802490917 VCLXDZOWSAZSPL-QDFBPKLPSA-N 494.508 0.716 30 20 JCED Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)COc2ccccc2C#N)c(=O)nc1O 1804133303 BUNWTYROQVFSFT-BCDXTJNWSA-N 451.483 0.846 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808273903 OQVIONQFGHNKBA-BBYNXYBVSA-N 472.590 0.843 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810356434 JQKKRIKTEXVVSM-YBVASHOJSA-N 495.602 0.944 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)nc3cccnn23)[C@@H]1c1cccnc1 1811334514 OWLHQKSLSADKOR-NRJQMVOHSA-N 460.494 0.842 30 20 JCED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1)[C@@H](O)N1CCOCC1 1819446441 PWOVNXOWUPALOY-GYKVDJFBSA-N 464.523 0.581 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825674389 BIGGBISTIWOSRY-BDJLRTHQSA-N 494.526 0.600 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)C)C(C)C)C2)C1 1829765145 IIZIFXXCHHTIFU-RTCDDDCJSA-N 450.580 0.324 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1829765285 RRICNXHLMABIEK-YLNCNTMDSA-N 480.562 0.168 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829903001 ANUUQDBHQMBZKX-XMMPIXPASA-N 467.526 0.714 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(OC)cc1)CCO2 1830233908 JWQZACDESPYVPT-HMLKYZKVSA-N 473.526 0.389 30 20 JCED C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1830744407 ZGPLEYHKRUKUFX-ZHRRBRCNSA-N 450.536 0.907 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cnc3OC)C2)C1 1831386333 QWTGMTWXJUAFCL-QVKFZJNVSA-N 451.907 0.852 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1831412528 RRDVSVHYZLOYLF-NZQKXSOJSA-N 452.596 0.062 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1831419871 RAEOHZDQUVLYMQ-YIGJPRQDSA-N 495.573 0.612 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831993872 JOCFGPLIZAYKKA-JOCHJYFZSA-N 454.520 0.684 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833020827 OLUSCAQDJCNNFV-OAQYLSRUSA-N 466.560 0.745 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCc3cnn(C)c3)CC2)CC1 1833076095 UWAVWGUJFTVZMZ-WAYWQWQTSA-N 456.591 0.783 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1833466521 HDJIKITXRNWTCC-UZLBHIALSA-N 466.579 0.439 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833556661 MSXFWZBQWJZGPO-FLSHMKOJSA-N 456.883 0.927 30 20 JCED CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1C(=O)O 1833609166 HDSLFQKAWXVMTP-QFIPXVFZSA-N 459.503 0.926 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nc1 1833648113 YUACDZQOROPOGA-COQMUBBDSA-N 475.546 0.747 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccn(C)n4)C3)C2)c(O)n1 1833698295 CSLQBLHWPHHPIZ-XMMPIXPASA-N 469.542 0.952 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(C(=O)O)ncn4)CC3)CC2)c1 1833969680 WQYDUWUVDCKYPC-UHFFFAOYSA-N 451.487 0.874 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C)n(C)n2)CCO3)c1 1834121054 SGOWDJDTHAKAAD-HSZRJFAPSA-N 453.499 0.993 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834398994 JABOTSGSMHYENJ-GOSISDBHSA-N 450.584 0.714 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC(=O)N(Cc5cccs5)C4)C3)C2)CC1 1835340997 MEYUVTFPWVLLBQ-SBUREZEXSA-N 472.567 0.857 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C2)C1 1835364291 PKKXOKFTCCFUIN-NRFANRHFSA-N 498.989 0.769 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1835752636 WMCCQJJACIPCPM-OAQYLSRUSA-N 479.643 0.834 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836844275 DMTRKGHFNCWEHL-QFIPXVFZSA-N 455.519 0.081 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1837393644 XWDATSGUCHENMY-YTZAWJCFSA-N 499.605 0.292 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1 1837446575 DIOSSMWSEKZJND-VMBKIOOXSA-N 485.585 0.653 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1837524549 JCFOZGUFVSFHCE-HAGRQHFESA-N 486.529 0.417 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1837530678 OXCSNVJFUWTOSE-IFXSCVBMSA-N 492.485 0.899 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1)c1ccccc1 1837613547 ABZSZQIYMSGCAF-CPJSRVTESA-N 480.569 0.973 30 20 JCED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)ccc1F 1837882383 ZBYDHRKDZDPLMR-OAQYLSRUSA-N 473.549 0.831 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838319613 ADBUIFSXVZVRMB-SBUREZEXSA-N 491.545 0.836 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1)N1CCN(C)CC1 1838598030 KWNFCUUXOLNIBG-HOYKHHGWSA-N 490.004 0.918 30 20 JCED CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)ccn1 1838722648 GYFLMUYLRHJWQJ-QHCPKHFHSA-N 467.482 0.842 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c(O)c1 1838888517 CPXKJWUDKVFHDA-VHZQKOCRSA-N 477.514 1.000 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)ccc1F 1839187825 ZDYHMBCDDSFUTE-DEOSSOPVSA-N 481.484 0.730 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839209135 OZMJHDMRVXCQOK-KKSFZXQISA-N 454.524 0.022 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839380912 VCCWJHNTYWQJNI-SYGXVLRESA-N 498.540 0.866 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(NC(C)=O)c(O)c3)CCO2)C1 1839472192 HIFHISPBBYUBMF-QMHKHESXSA-N 459.499 0.459 30 20 JCED COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn1 1839487723 UQNLKIDIUJVZSQ-QHCPKHFHSA-N 477.481 0.617 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)c1 1839651035 HUVCFGMDMWCUAB-XMMPIXPASA-N 481.509 0.765 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839779658 IPVDOQNTCGEORD-SIKLNZKXSA-N 480.970 0.725 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C2)C1)C(F)(F)F 1839893149 NMQQFQCKEQVMLY-HSOHIQCKSA-N 464.466 0.364 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840016725 VKTVYPSSYRJBGK-SBUXQGASSA-N 494.548 0.211 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCCCC2=O)CCO3)c(C#N)c1 1840105718 UYQCGAAWBIIAFM-VWLOTQADSA-N 484.553 0.578 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1840165627 DXVKQPKNXPVZAP-ZSDSOXJFSA-N 471.576 0.687 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)n1cnnn1 1840474617 YCLRYBQFORASBX-HTAPYJJXSA-N 453.503 0.195 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CN(C)C1)CCO2)NC(=O)OC(C)(C)C 1840573432 RVXXDJPSNOTCFR-CYFREDJKSA-N 480.606 0.864 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840795297 ZIISTYGJMXIYNR-NXMSCROESA-N 493.557 0.614 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840801228 RCRDRSTWIIVHKM-JTSKRJEESA-N 455.552 0.949 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1840819554 RIBOIBOQQNOLEH-XMMPIXPASA-N 476.493 0.750 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1840959229 BGQNFUFLXXGLAQ-HOYKHHGWSA-N 492.573 0.773 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1841747405 PYSMBIWNIINTLB-SJLPKXTDSA-N 452.552 0.310 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1)NC(=O)OC(C)(C)C 1842921408 RFTHLTOUCKQFQU-MRXNPFEDSA-N 479.578 0.928 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1)C(C)(C)S 1844297778 HADHFECRTCACFD-WBVHZDCISA-N 486.635 0.442 30 20 JCED CCn1nnc2c1[C@@H](C(=O)N1CC3(CCCN3C(=O)C#CC(=O)O)C1)CN(C(=O)OC(C)(C)C)C2 1846194901 CQMGLTBNGJYDRR-HNNXBMFYSA-N 486.529 0.424 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847443762 WPEKVSCLEPAREX-BZSNNMDCSA-N 458.515 0.507 30 20 JCED Cn1c(=O)c2cc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)cnc2n(C)c1=O 25164573 OMFVZSVNMQRHEN-UHFFFAOYSA-N 476.472 0.773 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)C(=O)N3CCOCC3)nnc12 409994583 BOLHORCTHIVDHZ-CQSZACIVSA-N 456.528 0.686 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 502332199 LSBPEYCSDCYFRF-UHFFFAOYSA-N 477.568 0.818 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(C)(C)CN(C)C 524281231 MRMCZXVOTCEIJL-UHFFFAOYSA-N 472.611 0.772 30 20 JCED C=CCN(C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 596510906 PIRJJHPUUFZVTM-HNNXBMFYSA-N 476.497 0.592 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828439 TYHYGSNGOZHDAJ-AWEZNQCLSA-N 480.521 0.791 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1=O 726043808 ZOMRKZVSAJCDQR-UHFFFAOYSA-N 462.503 0.148 30 20 JCED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)NCC#N)CC2)c1 731233630 MZEWTUBQGMPSSC-UHFFFAOYSA-N 450.517 0.100 30 20 JCED CCN(CC(=O)NCc1cccs1)C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748575922 KQXNEBDWMSQTMP-UHFFFAOYSA-N 478.552 0.495 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N(C)C(C)(C)C#N)c2)CC1 748843422 CCLICXPOBKDXOZ-UHFFFAOYSA-N 450.517 0.457 30 20 JCED COc1ccc(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 769807997 GEMZQUAFFIHCMF-UHFFFAOYSA-N 472.523 0.737 30 20 JCED CCN(CCCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O 918669704 FYIGADRMTUAFAR-MRXNPFEDSA-N 458.606 0.928 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 1286890819 REZSGPMWICHTAN-OAQYLSRUSA-N 485.614 0.994 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2COCCO2)C1 1288977752 QXZPOZKCEUDCEC-GPMSIDNRSA-N 454.553 0.156 30 20 JCED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1294889259 UAMVCZHCMQXQPS-UHFFFAOYSA-N 466.546 0.917 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359143349 YRUIXDVRNYWECD-OAHLLOKOSA-N 462.020 0.631 30 20 JCED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1493193832 TYKLSEXCDBZWLM-KRWDZBQOSA-N 467.530 0.645 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1505142442 MEAHGJRKXDWTKI-NRFANRHFSA-N 460.560 0.734 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCN(C)C1 1509302910 OQYBHXQOEQCQKR-RXVVDRJESA-N 483.639 0.444 30 20 JCED CC(C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1509528599 UIKKGCYCFCBKKH-RBUKOAKNSA-N 480.639 0.128 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(C)(C)O 1510219059 PKFGXLBIOOQFMA-AWEZNQCLSA-N 465.555 0.997 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C(C)=O)CC2)c1 1554796932 PRDOQNDLFDFMAP-NRFANRHFSA-N 469.546 0.855 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1=O 1712469408 NOJHTSJFHHTZHO-HXUWFJFHSA-N 494.600 0.522 30 20 JCED C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 1749245021 YHOGXOKTEFBDRI-MJGOQNOKSA-N 474.587 0.991 30 20 JCED C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1751145158 PJMZBRMLSKPYBR-PKOBYXMFSA-N 481.623 0.462 30 20 JCED CS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1770338451 XUWDGJFSJSQWSM-IBGZPJMESA-N 492.627 0.419 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134731 NMZQAMUXBFUQHO-WISBUKIJSA-N 478.546 0.804 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C3)c(C#N)c1 1780686537 HFEIRNKOZRPSNA-DCLXLUIPSA-N 471.558 0.216 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 1781408725 WGEPSJVEWSGLQE-FUMRIQNTSA-N 472.498 0.834 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)ccc1Br 1781904337 IUPVSYDRIVAYJY-FQEVSTJZSA-N 490.314 0.316 30 20 JCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2)n1cnnn1 1782611067 LVEJLSLJVLYYNL-DKZVUGQWSA-N 453.503 0.699 30 20 JCED O=C(CN1CCSCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1783497944 MFHJKIBFIPYPQV-HQPNSAMISA-N 454.593 0.544 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@]13CCN(C(=O)OCc1ccccc1)C3)CCO2 1783567009 CMRYIHHRBIWGIZ-XZZVZQAVSA-N 495.532 0.953 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1784033717 JSZDPFLGBRDHHS-QQMNAOGKSA-N 464.563 0.812 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1784198211 ZWWIWNVJCZBWFC-BMFAXAFESA-N 475.546 0.755 30 20 JCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1784531594 NMJWZEYIDAZCIP-YZVAWVHESA-N 489.642 0.956 30 20 JCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1785019245 HLVPJEFEZCTORH-TXTZMMAHSA-N 496.655 0.065 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2)NC(=O)OC(C)(C)C 1785305709 AEBKBPYMXVPZHY-VGOFRKELSA-N 462.551 0.968 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)NC(=O)OC(C)(C)C 1785305923 BGDPHUPNDYTGGS-VVBPWWLESA-N 466.535 0.784 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1785571970 GEOGKSPLFDQSSF-MZNJEOGPSA-N 485.541 0.541 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1785574600 NOSGOJTXRFINFY-WZONZLPQSA-N 459.547 0.938 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(=O)n4O)[C@H]3C2)ccc1F 1785630958 MAGJAWAUQRSHSW-KNBMTAEXSA-N 454.458 0.932 30 20 JCED CC(C)(C)OC(=O)N[C@H](C[C@H]1CCOC1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787515394 WWLPUPJJCDHKHR-SPOLIRPYSA-N 493.557 0.374 30 20 JCED CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC5(O)CCCCC5)C[C@@H]43)CC2)CC1 1789807743 OBGGFQXDPGIEOM-FKBYEOEOSA-N 472.630 0.445 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](CCN(C)C)(Cc3ccccc3)C(=O)O)C[C@@H]21 1790793446 HUXBIJJAZVKFEM-UKDJSQQHSA-N 455.555 0.865 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C\C(=O)NCC=C)c(O)n1 1792484694 XIPWZBLMEGJBBZ-KIOJXLHQSA-N 454.527 0.967 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)n1 1792558487 ZLOVKWFZEAFACW-JHDGKUDLSA-N 463.538 0.991 30 20 JCED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2cccc(C#N)c2)c(=O)nc1O 1792835704 HIWVUHFMWUNNDC-HATOLVCRSA-N 465.510 0.351 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)NCC)C2 1793597331 MEWYBPITIUGUBM-AVEIZBFRSA-N 481.594 0.753 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1793599192 QZJXIHUAKNQWJL-OREBXVKISA-N 464.563 0.666 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1sc2nccnc2c1N 1795704620 MZVWUPFFQBVCON-CYLMYCJOSA-N 456.528 0.335 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cccn2c(O)nnc12 1796288242 NYTPCRAGPWUUOX-XDEBEIOISA-N 458.475 0.167 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1797121953 SMOCIDPOSHPLHA-KMOPNRPKSA-N 450.536 0.498 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1797710926 ONUKJEQCMGZOMT-NNNWTRQLSA-N 454.527 0.942 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1 1798470177 ODASAQXUXWWIGV-GFOJFJKKSA-N 455.559 0.794 30 20 JCED CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)Cc3ccc(C#N)cc3)C4)CC2)CC1 1799190666 UFZDYDNZVSVANV-IUTQVRIDSA-N 451.571 0.470 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cnc2c(c1)CCNCC2 1800243123 OOSMZQZMVRJXIZ-YINNCEHGSA-N 454.575 0.445 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(n2ccnc2)CCCN(C(=O)OC(C)(C)C)C1 1800331989 SAFWWZXNCGANOI-KBVWPGPTSA-N 471.558 0.832 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Br)cc3[nH]ncc13)C2 1800777096 BOZOLQBRSIBJIW-XGISUXEOSA-N 461.272 0.617 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800801707 GSKVWOOWFUALPQ-YYAJDYIMSA-N 451.520 0.446 30 20 JCED COC(=O)[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2)NC(=O)OC(C)(C)C 1800909227 UWJZPEIAPNDHRL-JAPOXJDPSA-N 487.619 0.987 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCS(C)(=O)=O)c(O)n1 1801530329 UPXXRHSBMQVARX-CCWDJLKJSA-N 451.545 0.544 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@H](C)C#N)c1 1801766387 RMPQIODSSCROLJ-RNEXODBNSA-N 462.572 0.845 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1802124622 CNIADFDHNDTVPJ-RCJHGTSTSA-N 474.514 0.205 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCO)C2 1802283409 SSDPDHXWIBDSBE-MHORFTMASA-N 498.577 0.439 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807945827 IMSNICSIVVEUDJ-UAABMBIOSA-N 475.469 0.239 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)Cc2ccc(F)c(C#N)c2)[C@H]1c1cccnc1)C(=O)C(=O)O 1808559183 BLQATZFDTMOQFT-HTAPYJJXSA-N 481.484 0.884 30 20 JCED N#CCCC(=O)N1CCCC2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1809513641 XHOXGVDGLIBNKX-DLBZAZTESA-N 461.588 0.701 30 20 JCED C#CC(=O)N1CC[C@H](CNC(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)[C@H]1c1cccnc1 1812448676 JAHBSGSYIJKBFC-OXQOHEQNSA-N 490.524 0.861 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1812712934 SNVFVUVJRUXNMG-BVAGGSTKSA-N 479.581 0.878 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815069721 ITAYASAKALVCBG-IPYPFGDCSA-N 492.602 0.565 30 20 JCED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2 1819462778 AQJNFTPTZOJMCK-XHDPSFHLSA-N 452.537 0.401 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC(C)C)nn3C)C2)C1 1829764899 CCDAPNQUFBPFRR-WNWNSBFKSA-N 473.574 0.547 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1829769203 NTTITAAOSPEJFB-UUMVVRSSSA-N 468.510 0.495 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1829771130 HIBCLQOBOCZTLU-IYZQMXKPSA-N 471.489 0.402 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1831213744 WCPMOKBPVRZGNM-XMMPIXPASA-N 476.493 0.054 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)cc3-n3nccn3)C2)C1 1831396534 FMEYZBPKIHSOKR-CYFREDJKSA-N 467.526 0.684 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4N=C(C)CC4=O)cc3)C2)C1 1831396596 FVZQANCBNQWVLH-KBMIEXCESA-N 482.537 0.908 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1831427987 WRVTZQASJZAKPP-JPYJTQIMSA-N 455.515 0.928 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831692158 DTBGRZNHBNVSQQ-XMMPIXPASA-N 463.575 0.304 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1831999958 FEGNKYATBOHCKI-DVECYGJZSA-N 491.589 0.888 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1832000641 USIBZKVUATXKCE-MWTRTKDXSA-N 491.545 0.309 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1832458277 JGVHYSHHBRECMW-VGOFRKELSA-N 487.619 0.638 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3COc4ccccc4O3)CCO2)C1 1832497580 POQRHFTZNGLRLJ-JXALWOEJSA-N 460.527 0.856 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccnc3OC)CCO2)C1 1833003760 SLXNUNYBPXUMFH-XMMPIXPASA-N 475.542 0.989 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)Cc3cccnc3)CC2)CC1 1833075083 RWEOETVUIIHGIE-LXHZQTKUSA-N 468.602 0.381 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833223736 KZPDVEPHAQKSIB-OAQYLSRUSA-N 488.585 0.740 30 20 JCED C=CCCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CN4C(=O)CNC4=O)CC3)CC2)c(O)n1 1833676979 FBPGDIQLHQUURH-UHFFFAOYSA-N 498.584 0.643 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c(O)n1 1833696270 YEQOOFCLBRNJMX-JTSKRJEESA-N 460.487 0.084 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnoc3C)CCO2)C1 1834322176 QGXSAXWIDKAXNJ-MBSDFSHPSA-N 476.530 0.970 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)c1cc2n(n1)CCNC2=O 1834326245 LKAAAEGCSNGZLE-UHFFFAOYSA-N 496.612 0.510 30 20 JCED C=CCCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c(O)n1 1834673358 XZUPRXZIBIBXEI-NRFANRHFSA-N 486.617 0.684 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c1 1835447410 BBJDBVHMFQGWOT-XMMPIXPASA-N 456.543 0.659 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836114733 YNOQMPWYJJHUKG-UZLBHIALSA-N 451.549 0.826 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](COC(C)(C)C)NC(=O)OC(C)(C)C)CCO2 1836520931 YDPQHRQNBCVZFS-UZUQRXQVSA-N 467.563 0.784 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1)c1ccccc1 1836674258 LYWPTLVKTYBQPQ-SHQCIBLASA-N 482.625 0.887 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837198167 XVFJPKRROIINCV-JOCHJYFZSA-N 455.519 0.310 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837297353 SIWHSFLXKUBVSC-RPWUZVMVSA-N 487.509 0.687 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837384558 BJVIEUHULTZTBX-SBUREZEXSA-N 457.531 0.644 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837529770 YELASGAASQSVET-ROZQTZPBSA-N 472.502 0.328 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCO2)C1 1838524957 WARDEPIYJCGPTA-HJPURHCSSA-N 473.482 0.638 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838791674 HKFJFYCPAVPEJY-FDDCHVKYSA-N 455.515 0.928 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1839072844 HZUQEPYRIAOFNC-VGSWGCGISA-N 455.552 0.947 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1839174722 SZXWNVCCAJLKON-JOCHJYFZSA-N 457.487 0.537 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1 1839185072 MEQFBEPJMBFUAS-JTSKRJEESA-N 453.536 0.891 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)ccc1F 1839187927 FBCFUIOUSSXFAQ-DEOSSOPVSA-N 483.500 0.989 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1839214661 ANKKLKOBPZVVSP-HTAPYJJXSA-N 460.918 0.902 30 20 JCED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839441027 YPLPPHUTPYLSOT-IBGZPJMESA-N 470.935 0.695 30 20 JCED Cc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn1 1839487337 BZBXMEWANKBUCV-QHCPKHFHSA-N 461.482 0.917 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1839492189 ZBXPJIIJUQDUKG-HSZRJFAPSA-N 454.531 0.915 30 20 JCED C[C@@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839745285 LSWXRDKWHBQQQQ-CLJLJLNGSA-N 493.564 0.770 30 20 JCED COc1cc(Cl)ccc1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839754009 ONKBSEYBFBCLPD-NRFANRHFSA-N 450.875 0.436 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1840059359 DDXUYEDRXVWUPX-YDIMBITNSA-N 479.574 0.617 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OCC=C)C2)C1 1840906857 KRNUOKZBUCJLQN-AXHZCLLHSA-N 479.574 0.951 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840909122 VESCRYSFTPSYAX-DVECYGJZSA-N 489.573 0.336 30 20 JCED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1841057273 OGWQXTDAKFRMHV-UHFFFAOYSA-N 456.547 0.630 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842946650 VXOVVGODKDLVKJ-HZPDHXFCSA-N 451.568 0.642 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC=O)C1 1845178650 ARCMYLIIDIZMDE-HZPDHXFCSA-N 481.550 0.130 30 20 JCED CNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)cc1 19396068 FYFOWCGNKKMUMW-UHFFFAOYSA-N 494.551 0.861 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1=O 22284758 MCIJFSHIRZMDDK-UHFFFAOYSA-N 471.539 0.665 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)S(=O)(=O)c1cccc(C#N)c1 515586115 MMPUTMIOXLZZEQ-UHFFFAOYSA-N 462.553 0.712 30 20 JCED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 517922336 VMYUSGSFDRSJGW-AWEZNQCLSA-N 462.509 0.930 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccs2)c1=O 590995733 WGLUUKWGCFJOCA-UHFFFAOYSA-N 478.665 0.676 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1-c1ccc(OC)nc1 608883488 DEJZCWRBQJEZCU-UHFFFAOYSA-N 470.894 0.934 30 20 JCED Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccn3)c2=O)s1 726181852 FQBPXLQFZBYEHI-UHFFFAOYSA-N 467.576 0.674 30 20 JCED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccn3)c2=O)cn1 726182346 QGJVVIQKYJLOQP-UHFFFAOYSA-N 492.605 0.861 30 20 JCED Cn1cc(C(=O)NCC2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cn1 727645746 BXXOXNKBHRUIFH-UHFFFAOYSA-N 472.571 0.907 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOC2=O)cc1 728407411 WAVUTWGKADIDLB-CJLVFECKSA-N 451.505 0.396 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cc1C 729671421 LZULOASLHXLAOK-UHFFFAOYSA-N 461.565 0.053 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CCS(C)(=O)=O 729675288 ZFZNBDQPVOKNCT-UHFFFAOYSA-N 498.424 0.746 30 20 JCED CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 744920406 OWSVAIVJDBTPGV-LRJITTQHSA-N 451.549 0.857 30 20 JCED COc1cc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1OC 821693317 DNFIMCCMWWDSRN-UHFFFAOYSA-N 463.468 0.933 30 20 JCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914652753 GZLKZZUDHWDHBR-IAGOWNOFSA-N 494.570 0.530 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)o1 915369615 FYAJMBKKEFFJHY-UHFFFAOYSA-N 472.502 0.547 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 918383448 JBWJSJBFTSYYAL-UHFFFAOYSA-N 466.560 0.960 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCCOc2ccc3c(c2)OCO3)c1 919020612 MWYMIEHZLXAMTD-UHFFFAOYSA-N 460.464 0.679 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(Cc4ccncc4)n3CCC(=O)N(C)C)CC2)c1C#N 1304732021 WIHZCMXKSBDTCV-UHFFFAOYSA-N 462.562 0.982 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CCO1 1517545511 OOVBLGVSSFIYSX-UYAOXDASSA-N 497.556 0.175 30 20 JCED Cc1cccc(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1612246902 IODSFRCNCQPZJU-GOSISDBHSA-N 459.576 0.891 30 20 JCED CNS(=O)(=O)c1csc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1625121186 IZFYUCYBUWCILA-UHFFFAOYSA-N 454.555 0.675 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1747545023 XBNXJGRYKOBMTD-UHFFFAOYSA-N 485.614 0.852 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1747658158 VASJTQPFLUFXHQ-INIZCTEOSA-N 467.573 0.787 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1778964819 JBEXXVMABIVEEJ-CKRAVPEWSA-N 473.570 0.569 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779016110 MUUNZDVGWKRTLH-ZHEDVJLGSA-N 472.546 0.294 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1)c1ccc(O)cc1 1779094427 FWWLHNMHSAQWEB-PBXXJUDPSA-N 471.554 0.370 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2nccn2)C1 1780824707 UIGNBMZHVWAUBU-PMAPCBKXSA-N 474.562 0.709 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1781018105 UQCBPPSGSAJUQH-KOIKXXGWSA-N 450.536 0.588 30 20 JCED COC(=O)[C@@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2)NC(=O)OC(C)(C)C 1782114757 PZLKWVCLNQOAOV-XCGNWRKASA-N 466.535 0.870 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)(n2ccnc2)C1 1782861993 NSIISKDORFWCJG-PKTZIBPZSA-N 472.546 0.963 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1782962908 XUMCJHGNIBEYQD-BSRJHKFKSA-N 497.614 0.959 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)CC)C2)C1 1783094815 XUOHIODYBHWCCY-HJPURHCSSA-N 496.561 0.601 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)C[C@@H]32)c1 1783912916 KMJQZFHAKDNEMC-VJANTYMQSA-N 453.499 0.069 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2)c1ccc(O)cc1 1784018867 QKUVIXCKLRUHEL-ATIYNZHBSA-N 468.598 0.967 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784915663 YOIKKPCDZIAADT-CYDGBPFRSA-N 454.417 0.894 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785328168 LNYMBHITDUKSGE-YAHNNNEBSA-N 464.588 0.927 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnn3C)[C@H]2C1 1785459269 GGRVVHBGKDOGSG-CUSZFKRNSA-N 462.551 0.878 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc[n+]([O-])c3)[C@H]2C1 1785499670 DJCNZBGTCBFRSJ-MUGJNUQGSA-N 472.542 0.830 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)C1 1785596545 ZMSQPFZNASZWIF-MCJPXMOYSA-N 494.589 0.437 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786701748 PKPUYXCBUMNYSQ-VRFNXKQKSA-N 484.619 0.932 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)c(C(F)(F)F)n1 1787198908 JLZJZEZCQSZZEX-RCBQFDQVSA-N 479.463 0.405 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788604214 WXVMJHDTLUPBFV-PRZNWLQASA-N 495.621 0.714 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)n1ccccc1=O 1788658708 MROBXDYMNJPIEP-HEEWZMQBSA-N 460.531 0.918 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)[nH]3)[C@H]2C1 1788959939 MMKMHLJDUTWRPP-JKQORVJESA-N 461.519 0.625 30 20 JCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOCCOC)[C@H]2C1 1789950211 BYZZSIIZWOQMKR-FKBYEOEOSA-N 468.591 0.856 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)C1 1792559031 KQNDBZMKPVJPAC-AIDNLNPPSA-N 498.580 0.918 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)C1 1795409004 WEQJIHAPRXJUJE-XMTFNYHQSA-N 462.547 0.906 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795601066 QEEDYKOEGJCDLW-BMFAXAFESA-N 456.547 0.071 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2)[C@H]1SC(=N)NC1=O 1796426695 FHGOATANYKWWGF-OZGYESRGSA-N 471.539 0.329 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(-c2ccccc2)n1 1796539996 CDWQTBBGEWSIPN-XEMDLRDOSA-N 453.499 0.980 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1797597912 HQGQZMQDVKNUOE-ZMMAXQRCSA-N 493.609 0.426 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1 1798735342 TZUJHRZZTGLPME-CXHZTBPHSA-N 462.503 0.287 30 20 JCED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799062880 YEDOFEJMJGIKHF-AMVTXUCVSA-N 474.583 0.643 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(N3CCN(C)CC3)CC2)c(C#N)c1 1799193639 JBJYTHCLJUENPO-RUMRUAAYSA-N 481.597 0.479 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1799321494 CHZMSUQSXTYCOS-KYHPRHEASA-N 463.539 0.122 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1799365918 AQLQFPRPPQFBMC-OGJJZOIMSA-N 470.567 0.653 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)C3)c1 1799745190 YWLFRSHBNZQVPV-CJXDPKRBSA-N 481.484 0.907 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1801761159 YKKLTLIUCPNFCN-HEFCWWFNSA-N 462.510 0.771 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccccc1 1801946789 HIWBYTDOFRFENG-YTRCMYEKSA-N 454.527 0.255 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C)c1=O)C2 1802125270 RRQSYYKKXDMSIX-UKBAYJJMSA-N 472.542 0.505 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1803552703 IMTXAPLGGRBGEU-OGWOLHLISA-N 460.581 0.986 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c1 1804093510 BYQUUTABSAQYOD-HRAATJIYSA-N 464.457 0.964 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1808451111 ZEPIYOSREWWTLL-XKGZKEIXSA-N 462.503 0.661 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1810279116 PAAUFVXKBGTTCJ-KGOJFESUSA-N 490.630 0.290 30 20 JCED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[nH]n1 1815197456 QEGVNENMSKZAOT-WBMJQRKESA-N 460.516 0.905 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](COC)NC(C)=O)sc2C1 1820193159 ZJYAMWONZWEIAC-UKRRQHHQSA-N 452.533 0.716 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)n[nH]1 1822700310 TUWVRVCISCFNOF-NIKGAXFTSA-N 455.519 0.911 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1826891256 CRCWKAMSWINFIZ-HXUWFJFHSA-N 481.663 0.618 30 20 JCED CC(C)(C)[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828546467 LYRGNNOPHXALLE-OFVILXPXSA-N 485.537 0.934 30 20 JCED CN1N=C(C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCN3C(=O)OCc3ccccc3)C2)CCC1=O 1828804316 MDCRATBACPHDDK-XMMPIXPASA-N 480.525 0.960 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCN2C(=O)OCc2ccccc2)C1 1828982859 LAMRPEKDMHNGLE-GAJHUEQPSA-N 488.614 0.597 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1829265647 CASYAFZEOSPXLC-AREMUKBSSA-N 493.608 0.852 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 1829766317 RCAWJEQUWYENQA-IYZQMXKPSA-N 487.944 0.916 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1829766386 WDHWRZOXVLPVSY-GUHNSWKSSA-N 468.554 0.016 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1829771593 WPXHBBSFUIGBPI-XLQQFJOYSA-N 481.509 0.264 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)cc1 1829901463 CJDFQOSUQLGBAD-QFIPXVFZSA-N 453.455 0.072 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830041139 BQSQBBVVYBHUDF-UZUQRXQVSA-N 497.593 0.183 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830060843 UTSSIQGICWHCOH-SAHWJRBASA-N 480.562 0.220 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)CCO3)C1 1830351980 DEUZCORWDBALIS-QLWBXOBMSA-N 471.554 0.588 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352949 WMBJBVWZUGLYAB-UVWWXKGLSA-N 485.581 0.816 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831019443 DDOXDYVWLPPXEL-QFIPXVFZSA-N 465.623 0.946 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1831413442 YQEKMQURVWKVFY-CYFREDJKSA-N 474.558 0.639 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1831998591 IYNOZMYLZJUGHG-NXMSCROESA-N 496.605 0.827 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1832000111 HEKBRBLOIRHDCC-FDDCHVKYSA-N 466.579 0.474 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c(O)n1 1832018677 WQTKPZJXYKGRKS-VWLOTQADSA-N 498.536 0.291 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccccn1)CCO2 1833187258 IPMOFCJOEZYZPN-FYPJQRNGSA-N 460.531 1.000 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1 1833474993 WHAXROUTTSGVFC-QHCPKHFHSA-N 468.466 0.350 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833620887 LTJJORPHDVGIBR-UCYCTBOASA-N 498.540 0.866 30 20 JCED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)cccc1=O 1833874708 VAEWNVCOWWGOKP-XMMPIXPASA-N 450.495 0.835 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(=O)oc2)CCO3)c1 1834596410 HYTWYPORDNXZFB-HSZRJFAPSA-N 453.451 0.904 30 20 JCED Cc1c(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)cn2[nH]cnc(=O)c12 1834716592 APLJCDBAEIJQBP-UHFFFAOYSA-N 496.616 0.798 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cc3nnc(C)s3)CC2)CC1 1834853139 QKJPMSNLVBTQKM-PLNGDYQASA-N 460.604 0.819 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1834945294 YSCZRXXDEBJHAE-BWKNWUBXSA-N 488.585 0.876 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1)c1ccccc1 1835123928 XBGACOIWGHNWJK-STWLZBDKSA-N 453.539 0.919 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1835185892 UTNQPSAAPMQVNM-QHCPKHFHSA-N 486.550 0.739 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835351666 ZZPBPUIANVJITR-GBXCKJPGSA-N 494.610 0.662 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c(C)noc2N)CCO3)c(C#N)c1 1835628236 FNXNYXWJCJVQSL-QHCPKHFHSA-N 469.498 0.758 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835677383 GZFWWNUIUAJJRS-IXEKKTNKSA-N 465.551 0.254 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1835680963 QDWSGBXVIKECES-JOCHJYFZSA-N 462.503 0.155 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682205 BRBLWBLMWUGBQO-XLNZFTOWSA-N 476.574 0.480 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836138137 ZCOHWWMLMWXHJA-WZONZLPQSA-N 492.577 0.594 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836210370 FRYVSSITYVIONX-JPYJTQIMSA-N 492.577 0.594 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836811482 RVQOWXQCTFREMQ-NYNQOQISSA-N 452.471 0.740 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1837397643 RLZZQHUTPQSKDT-YKSBVNFPSA-N 469.542 0.910 30 20 JCED O=C(NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2)c1ccc[nH]1 1837560202 SSQSHCYBDXUNFE-UUVZMSSXSA-N 471.514 0.303 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C(C)(C)C 1837560245 UJQKFLGZTZTQEJ-DAHHHLRYSA-N 462.547 0.706 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2)C(F)(F)F 1837610589 VCEIBNNCBGEQPK-LIRRHRJNSA-N 471.436 0.170 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838404889 SRNVXFMSURSNGJ-JTSKRJEESA-N 454.568 0.437 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838478081 ZTTXREZCMSREEZ-XUHCNCODSA-N 459.503 0.352 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(C#N)c5)CCO4)C3)CC2)CC1 1838907955 YHOMLTOGVUJHCV-DEOSSOPVSA-N 467.570 0.408 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1839109249 YUUZBWCKWIZGFO-PNCHPQGNSA-N 499.630 0.590 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138924 MDODIMHKCPVKEQ-MHECFPHRSA-N 499.605 0.557 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1839215325 LAELADNAKFVPIW-WMZHIEFXSA-N 458.490 0.317 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)c1OC 1839226950 ZUGJRSFNIYJWAH-OPAMFIHVSA-N 464.519 0.970 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839422471 WJJWVQLMUDEUPG-FGZHOGPDSA-N 463.462 0.383 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839723882 WSHDSXXFHBIDSE-FDDCHVKYSA-N 475.546 0.325 30 20 JCED COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2 1840764109 JSCOTZLIMIDMMW-QHCPKHFHSA-N 474.514 0.771 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840844933 UKCWVOFMPJFCCD-XZOQPEGZSA-N 465.547 0.228 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)c1 1840897334 WTYWWWIFDSVOKM-NRFANRHFSA-N 492.554 0.628 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 1840907233 QZWDQJACYBVQQS-SBUREZEXSA-N 473.530 0.463 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1840908108 AMQFHNHWFMNCQZ-MWUGDXRPSA-N 479.530 0.390 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1840913977 RXCNNZHIGMBRLY-PUZWTLIVSA-N 494.589 0.438 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1840958595 QKUMGJRBHQUUEO-DEOSSOPVSA-N 482.493 0.822 30 20 JCED CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840961289 QAWSJMOKJJQAFC-JOCHJYFZSA-N 467.519 0.082 30 20 JCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCS(=O)(=O)C13CN(C(=O)OC(C)(C)C)C3)C2 1846370940 RPTINHFUYHHGAK-CABCVRRESA-N 487.644 0.932 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1)C(C)C 1847747842 NPHNRPSMWLCBEV-IWFBPKFRSA-N 458.559 0.973 30 20 JCED Cn1c(=O)nc(O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cnc21 483164065 LVIUUDIRHLCEPE-UHFFFAOYSA-N 454.468 0.052 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 502046695 URWVGGKIGXMXFX-UHFFFAOYSA-N 451.508 0.433 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(C)c(F)c2)CC1 502051796 RIEDXUBLXZQZFG-UHFFFAOYSA-N 480.569 0.747 30 20 JCED COCCn1cc(NC(=O)C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1 516434446 QROIAXOCVHSYTE-UHFFFAOYSA-N 454.466 0.996 30 20 JCED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)oc1C 613080516 APHKGJNBRSCAMF-UHFFFAOYSA-N 459.524 0.616 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)cc1 643064332 HVZBOJZPCKLPHA-UHFFFAOYSA-N 460.578 0.266 30 20 JCED COc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 727008679 QYDPMGDYROARCB-UHFFFAOYSA-N 474.495 0.729 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)s1 731204518 KEILSUTWGYXCJH-UHFFFAOYSA-N 451.595 0.360 30 20 JCED N#CCCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 731223297 DNXYGKZJXUIYPC-IBGZPJMESA-N 496.611 0.375 30 20 JCED C#CCNC(=O)c1ccccc1NC(=O)CSc1n[nH]c2nc(=NCC)nc(NCC)n12 751368602 HRRAFJXQKUSBJM-UHFFFAOYSA-N 453.532 0.899 30 20 JCED N#Cc1ccccc1OCC(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 790089995 LSPUUAVGQGRUNK-NRFANRHFSA-N 465.462 0.991 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 821735687 ACIAJYOOBKVHNJ-INIZCTEOSA-N 497.595 0.617 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 853671329 NMPANHFUCIDMOT-LSDHHAIUSA-N 465.528 0.849 30 20 JCED CCOC(=O)N[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 915682564 HYQVXCJLYWCPIL-GOSISDBHSA-N 463.560 0.602 30 20 JCED CN(CC(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)S(=O)(=O)c1cccnc1 917011288 WGDSYSBZWCPICP-LJQANCHMSA-N 486.510 0.668 30 20 JCED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 917037832 CIHGSDMYUFELHN-IBGZPJMESA-N 470.507 0.455 30 20 JCED CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918261156 PLWOKXYUZUFDTN-OTMWDORNSA-N 478.619 0.580 30 20 JCED CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1316343397 JKQZBNXBWFXSOW-IBGZPJMESA-N 488.570 0.601 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1510217124 GKFDAIJZXJSBFS-OCCSQVGLSA-N 481.533 0.841 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1518521630 YQTSAEAKAXMUIW-INIZCTEOSA-N 456.503 0.877 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1555809483 WNCKFXWHQIHYBP-INIZCTEOSA-N 464.573 0.333 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1593884734 JUWJCMQQMSSCRP-MJBXVCDLSA-N 470.017 0.621 30 20 JCED CC(C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1607938516 IXBTUGODADAHEA-IAGOWNOFSA-N 452.567 0.946 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(Br)cn2)CCO1 1620356386 XZXPYRXNCSZTDU-TZMCWYRMSA-N 470.353 0.568 30 20 JCED CS(=O)(=O)CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 1636204681 SSMYQXFVUKESNT-UHFFFAOYSA-N 454.574 0.789 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1696578531 KKWZNFJEGJXEDY-UXHICEINSA-N 452.563 0.935 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cccc(F)c2F)C1 1731015643 STMZMAAFRIHLNW-RDJZCZTQSA-N 482.513 0.861 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCOCC1 1761414128 KSUYTMKSENVXAM-GVDBMIGSSA-N 455.585 0.070 30 20 JCED CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCNS(C)(=O)=O 1767635138 VNERGSRBMYNWKP-OAHLLOKOSA-N 450.521 0.534 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1cccs1 1779100158 SWXGDSDKOMNGEZ-UZWDYZERSA-N 464.544 0.837 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1779421478 MRKHFANNKQJQQV-KFOQOUPLSA-N 452.552 0.362 30 20 JCED C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779534816 UGOTWHGTUJSZPV-KWRQKJOZSA-N 450.536 0.720 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CCOC1 1781310640 VSRNFRCIGZITOL-KGFBWQSRSA-N 493.605 0.972 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1781390549 JWQORSRUZATJCZ-MGPUTAFESA-N 452.533 0.730 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(C)C(=O)C(=O)O)C2)c1 1781546491 OXWVQUPCKLVIDL-SWWFSWNPSA-N 470.526 0.984 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)N1 1782871934 NJPABCUVDFTLBB-WZOHSFFVSA-N 496.589 0.048 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=N)N)C3)cc1C#N 1783044975 BFRCFJYUIUWJOY-AUSIDOKSSA-N 456.547 0.956 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(=O)(=O)N4CCCC4)C[C@@H]32)cc1 1783441409 PAMJCZXEVONZSP-FKBYEOEOSA-N 488.610 0.896 30 20 JCED CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1783522252 ZBSKTXFHCVAARL-UNENTNPFSA-N 452.537 0.702 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1784785809 MVSMHFMMRWITJR-TXTZMMAHSA-N 481.594 0.028 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785546973 VYCXFJICSFIKDH-NRFANRHFSA-N 474.564 0.627 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1785576041 HEZJKGZXEORCSI-OYHNWAKOSA-N 459.503 0.130 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1785578446 YTLNSGCZDDMIQF-HKARXFIJSA-N 462.547 0.259 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1785624916 WRKRAGPZOJJCSD-QMHKHESXSA-N 492.577 0.462 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3Cc4ccccc4CN3)[C@H]2C1 1787451389 MJBSRKZNMPCOHQ-MBJUWTOCSA-N 452.555 0.539 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1792146368 NPSSDCSVSSQDOD-JTVCPLHISA-N 485.566 0.719 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792884565 QUWVTWFIHQKCIE-SFNKJDCFSA-N 455.552 0.444 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)NC)NC(=O)OC(C)(C)C 1793288190 DCJCODNJVXBBET-QOIOWGMHSA-N 452.552 0.572 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1793599221 RXADIFDCWBTUHW-QOIOWGMHSA-N 491.545 0.620 30 20 JCED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1793981012 NGJFOHVKFDDFCR-ALXJQNPVSA-N 486.573 0.016 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794320819 IJKZKEUOEYHWOA-SCNOPHJPSA-N 452.533 0.489 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)n(C)c(=O)n2C 1796983217 VFYDQPSQEQCNQC-REGYPHIPSA-N 457.531 0.881 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC)c1ccccc1 1797586344 PXEVMZVJFQAHRD-XCRACJGTSA-N 457.527 0.838 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1798397613 HYNQGXJUZGFJIB-MULDDASSSA-N 478.615 0.378 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(C)=O)c1cccc(Cl)c1 1799068842 TXXQJEYUSUEIRN-NJKSQTLMSA-N 488.972 0.965 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2)N1CCN(C)CC1 1799180688 HVOFFOYMXYXLKL-UWSZBUKDSA-N 453.587 0.716 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1799232866 HGLHJUOBWLDIFP-RVDAZCDBSA-N 490.601 0.894 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1799321927 RWLNRDMKAZEMIT-OYNZLANYSA-N 482.578 0.498 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1799685752 IHCUEKSUKWFLHB-VLGLQZDVSA-N 457.531 0.628 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1CC(c2ccccc2)=NN1 1800154597 BFYHKPNNVBMPOR-ILMOZUTHSA-N 452.559 0.814 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800800090 PWKKXONKSSJCNW-RCJHGTSTSA-N 485.603 0.952 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(S(C)(=O)=O)ccc1Cl 1801917975 UJWYMZYJICYHIU-KULPGCBOSA-N 495.985 0.805 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1807144299 XCJOLCGPBSBUSA-AVRDEDQJSA-N 466.542 0.684 30 20 JCED CNC(=S)NCCC(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814979701 MTHYAZGPESBBHG-GFCCVEGCSA-N 451.622 0.821 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817271444 BKIFXICVQZBLHL-CQSZACIVSA-N 482.632 0.763 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1819454258 GVKWSBYOBZIBQD-VRWYAHPUSA-N 464.523 0.581 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828571516 AVBVNJSACXPKRX-DEOSSOPVSA-N 487.578 0.897 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)CC2=O)c1 1829637870 RMRADBUKGVTDSO-IBVKSMDESA-N 481.549 0.918 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)c3ccco3)CCO4)c2c1 1829828667 NZHSISSFKFSOAG-NFBKMPQASA-N 465.466 0.831 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1830059708 JNFPHJHLVXOWCD-QFIPXVFZSA-N 470.486 0.298 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1830469893 JUNHKZFBIXEXAV-SIKLNZKXSA-N 480.970 0.725 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)C2)C1 1831402689 OYGHUGREOMHNCB-UUOWRZLLSA-N 479.574 0.738 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)cc1C#N 1831615418 QIZHJMFDEXTNQY-MZNJEOGPSA-N 472.542 0.927 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835101528 GBQRLLGOAZFMNV-HHHXNRCGSA-N 492.528 0.957 30 20 JCED Nc1n[nH]c(CCC(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)n1 1835666750 YUHHKPYUZWNFNQ-SGSZHJQISA-N 476.582 0.420 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731840 KKAUOUJOENOACO-OGTCDWKQSA-N 466.583 0.094 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](C)S)C4)C3)CC2)CC1 1836727549 LJIFXIHTFGMRRD-UUOWRZLLSA-N 496.674 0.484 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1837440126 CPCCJVHOVYHVBJ-PXYXSCDOSA-N 451.474 0.902 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837482644 XXYKFGREOGIJEE-DAUNCGNQSA-N 476.534 0.262 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cs1 1837524584 JVLOPBSEZMBDAM-VTHGXCIJSA-N 466.560 0.979 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525644 OCIWAYRTPBTCFH-WVBYBHFTSA-N 468.551 0.134 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cnc2s1 1837562669 AVDPTBAPDPNJQK-FUWLSKDBSA-N 499.549 0.847 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1)c1ccccc1 1837611729 KHESNQSKLMRIAK-AJTFRIOCSA-N 493.560 0.955 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838324962 UTVOGIPSHOROQE-KBJGYGKASA-N 477.518 0.609 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C(C)=O)[nH]n4)C3)C2)c1 1838580962 XFHSIVWMGJJRKZ-QHCPKHFHSA-N 467.482 0.876 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)N1CCN(C)CC1 1839101208 JZRCPZIEJWTGDD-NLFFAJNJSA-N 489.016 0.784 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1 1839130871 YNYHNYQJNOVRPT-FDDCHVKYSA-N 467.563 0.786 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1839173304 JJGRBSYNSIJEDJ-DEOSSOPVSA-N 470.526 0.843 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1)c1ccccc1 1839237216 VOFPWHNIIQLMJE-ZJSXRUAMSA-N 451.527 0.932 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=N)N)C3)C2)cc(C(F)(F)F)c1 1839443291 YWIJHQMRAOIEBO-LJQANCHMSA-N 468.436 0.130 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839726740 DXYFIYJWXPYENQ-SZBRSHHCSA-N 485.581 0.117 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839773869 QXZUQOSGBNGIGL-DZQSVEARSA-N 478.590 0.848 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1839871437 IHRUZDJPGCCFPQ-FHAGJXEFSA-N 469.538 0.482 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840011194 RPMOZPHKWQUFDP-MEICDQCUSA-N 491.541 0.319 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1840082783 OTTYLILCJGMAPR-REWPJTCUSA-N 472.579 0.351 30 20 JCED CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840567375 QICXJQZBBFKQPA-HSZRJFAPSA-N 454.531 0.845 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820055 WEYIDOXLAACYFP-MHECFPHRSA-N 472.542 0.698 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1840820090 YDRSULNLFGKYPQ-XMMPIXPASA-N 480.477 0.831 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1840907601 YYLBAWAEZVMIEA-OPAMFIHVSA-N 461.519 0.396 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)on3)C2)C1 1840909248 XLMKGIVLCCIKQT-CYFREDJKSA-N 490.557 0.899 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1840909611 XXCBBXONCMEATA-CYFREDJKSA-N 489.573 0.565 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 197991263 FXBLTFTUUVEIJN-HZVDNRATSA-N 454.508 0.198 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)cc1 477172638 BSSHYFOJODVMQG-UHFFFAOYSA-N 494.507 0.933 30 20 JCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c1=O 505095247 UXQWOSIVASLIAA-UHFFFAOYSA-N 461.927 0.623 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1=O 520835476 NWPNNMVKRHDGKJ-UHFFFAOYSA-N 472.498 0.462 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3[N+](=O)[O-])c2=O)cn1 522381743 BUGBSQFVISNCAC-UHFFFAOYSA-N 480.506 0.385 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 524281240 MXUNRTVKOWSQAW-UHFFFAOYSA-N 476.536 0.239 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCNS(C)(=O)=O 589160208 HKZPSKFOHVWMBF-UHFFFAOYSA-N 451.545 0.716 30 20 JCED CCOCCCNC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 603634595 MXUJEXBGSQWYIU-UHFFFAOYSA-N 450.561 0.960 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1=O 726042194 FQRCUIMGVWDRMR-UHFFFAOYSA-N 459.383 0.141 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)c1 727806787 ZRJWJMCVWPOMRV-UHFFFAOYSA-N 470.551 0.912 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Br)CC1 728536324 VMGQBUFXRKIYFK-UHFFFAOYSA-N 499.431 0.987 30 20 JCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 728573865 YRTHELDFWNKOEH-IBGZPJMESA-N 475.615 0.555 30 20 JCED Cc1c(C#N)c(NC(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)n(-c2ccccc2)c1C 748428958 WRTXESZTUYIDKS-UHFFFAOYSA-N 456.484 0.992 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)CCC2 920396738 NASGRRAPROREDN-HNNXBMFYSA-N 463.563 0.775 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1150969120 VFZRWBDEQCLFHM-HOCLYGCPSA-N 456.590 0.682 30 20 JCED C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286544959 PKPOHOGTDIBKLA-UHFFFAOYSA-N 473.339 0.508 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1Cn1cccn1 1611711333 MQDDYTPBRZZTFL-APWZRJJASA-N 470.559 0.910 30 20 JCED CN(C)C(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1617601752 UVHZJANWTGUTDA-GOSISDBHSA-N 475.575 0.597 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC(O)CC1 1618310037 RZPVYYAKYPCZKH-UHFFFAOYSA-N 461.592 0.649 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1620177199 WJALZRJKYXFYOM-HNNXBMFYSA-N 485.492 0.871 30 20 JCED CCCS(=O)(=O)N1CCC(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1646028993 QNVYZCFHIWACMD-AWEZNQCLSA-N 456.590 0.824 30 20 JCED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCS(=O)(=O)N3CCSCC3)C2=O)cc1 1684066311 PEGHDQCVALNVMI-KRWDZBQOSA-N 451.574 0.731 30 20 JCED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1708147524 QUAOMUMENLCSAG-RDJZCZTQSA-N 457.560 0.765 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C 1752387724 KCOPNWQVOKKCEF-SJLPKXTDSA-N 487.586 0.677 30 20 JCED CN(C)CCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1766928545 MJJHSNQJISXFQS-WIYYLYMNSA-N 467.615 0.896 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1=O 1771127173 SCPIXBVBSSUXIC-IEBWSBKVSA-N 472.571 0.935 30 20 JCED CC(C)(C)OC(=O)N1CCc2onc(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2C1 1778368464 XKHNIFUQAYQGSY-QHCPKHFHSA-N 488.497 0.499 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1778970606 GMHKTUSLSVKROC-PGRDOPGGSA-N 465.572 0.643 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CCNC(=S)NC)C3)C2)N(C(=O)OC(C)(C)C)C1 1779041544 HDVJYLGMVJAFSB-GAJHUEQPSA-N 495.646 0.866 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)c(C(F)(F)F)n1 1779089334 IVNGELRTCLOQGY-ICSRJNTNSA-N 483.447 0.066 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1)c1ccccc1 1779185921 YENCGDHZQYLXLV-RDGATRHJSA-N 487.622 0.744 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)c2cc(C)on2)C1 1779432152 OVIHFXMBNZJDNX-YUVPUZHMSA-N 473.530 0.085 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)=NO2)C1 1783566252 SADXQTWJFCZWIN-GOTSBHOMSA-N 490.513 0.060 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1783765969 DDOSQNHIYUQLLP-MCFFVMPBSA-N 450.536 0.564 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1783765979 DDOSQNHIYUQLLP-ZMPRRUGASA-N 450.536 0.564 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)N2CCOCC2)CCO3)N(C(=O)OC(C)(C)C)C1 1784093959 QXOQEZLQMSFINE-MFSJNOQSSA-N 494.589 0.033 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1784474056 AZPVANLAXOVBEF-RDWCLUPISA-N 493.601 0.622 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1785592903 LAUZTPNITYKONK-CMLPYJLWSA-N 464.519 0.394 30 20 JCED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)CCC1 1786789659 YONFZESFWJSEHN-MRXNPFEDSA-N 492.536 0.606 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788604078 OKJLCQOIXYMUEB-CZNLGSPVSA-N 467.567 0.281 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4C)C[C@@H]32)c(C#N)c1 1789843304 FLHGDNHSFUEKRL-FIRPJDEBSA-N 454.527 0.710 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1789890217 LCBNMEPXFQEOBG-LNLFQRSKSA-N 460.531 0.624 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(c4ccccc4)=NN3)[C@H]2C1 1790543149 BXNUCDTZWCYCJS-PUSOUIHNSA-N 465.554 0.591 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]3C2)c1 1791312809 YIVMQDVAPVSHMQ-JQFCIGGWSA-N 468.432 0.839 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)c1 1791984691 KURLSHODELJARU-RNVRALISSA-N 475.509 0.952 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1793597691 SQCOENZAIFPBFU-ORDFZIBCSA-N 484.550 0.110 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794504415 IHQLOAADJWPPFC-GQSCTRQFSA-N 475.615 0.566 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cncnc1 1795809241 CXJJNEYFKUWPBS-JTJHWIPRSA-N 471.558 0.915 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)ccc2F)C3)CC1 1797307438 AKLCYEZRWWPUBU-OPMZPASUSA-N 457.506 0.065 30 20 JCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCCNC3=O)cc1 1797320534 AYUXGIFKNLZXTM-BBIADKPPSA-N 476.537 0.724 30 20 JCED O=C1COc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C/N=C/c3ccco3)C4)cc2N1 1797450590 OZCLXZNMPILUKZ-BPAHVTBESA-N 452.467 0.933 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)n1 1797815540 RNWGEJVPYPAANB-MDUKNCKQSA-N 475.546 0.405 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1797816440 KJDKSAQUZONJDC-GKBWPFBFSA-N 469.542 0.871 30 20 JCED Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1798188262 IUDLAIPEWUKNCP-AKZRSSKFSA-N 490.332 0.997 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2)N1CCN(C)CC1 1799180686 HVOFFOYMXYXLKL-IVDSKFSHSA-N 453.587 0.716 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1799232925 ACRFKZFXURETQD-BFMVXSJESA-N 478.590 0.784 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1799681899 HOFQRQCGRRJRRZ-HCCSCIQYSA-N 450.492 0.131 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1800045894 UQZVMZPDMCUFGS-QKPAOTATSA-N 465.503 0.559 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC[C@H]1NC(=O)OCc1ccccc1)C2 1800778586 JDARFSZWAHSCLM-ZJQTUCFNSA-N 483.521 0.759 30 20 JCED CN1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C1 1800907010 QQCVZOYFIMSCKG-YYIAUSFCSA-N 470.636 0.739 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2)NC(=O)OC(C)(C)C 1801928537 DWVDVAWWMMHAGV-DFGXFYAUSA-N 462.551 0.878 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801991530 PCKRPJHAHDSNNQ-YVSFHVDLSA-N 492.529 0.518 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C2 1802138508 JNROXSYYCDZQAA-YJDCLEDVSA-N 478.590 0.960 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H](CNC(=O)CC#N)[C@H]1c1cccnc1 1806290880 NSCMVPFJFJBFKA-JTDSTZFVSA-N 458.519 0.770 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)CC1 1807145847 PRWFHKMVJRNVEY-JTHBVZDNSA-N 483.617 0.533 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2c2cccnc2)c(C#N)c1 1807708502 VRBKYXKSPCCODT-HJBWUJCXSA-N 463.538 0.933 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1808465258 YHHZUTPNMDONMP-VGSWGCGISA-N 454.483 0.522 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819887769 WRMPVCCFDTXENL-QRWLVFNGSA-N 462.572 0.404 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1820894339 MDZBOHGLZDQBQX-OAHLLOKOSA-N 468.474 0.956 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1820949435 ZAFIRVQPKXZXRY-DZGCQCFKSA-N 463.491 0.766 30 20 JCED O=C(C#CC1CC1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829202367 IVKLHMIQUQKXBR-MCEYFSPLSA-N 480.565 0.575 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1829231664 FJOFCXHZZBBZJK-HXOBKFHXSA-N 476.530 0.550 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1829947395 YOIWUDKBZUBZME-XFAGBWLFSA-N 494.589 0.438 30 20 JCED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(=O)c1ccccc1 1831147329 DZHZKWMGAMBZGN-XMMPIXPASA-N 465.510 0.729 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C(=O)OC(C)(C)C)C3CC3)C2)C1 1831388640 VMTHXNBTXWZVPR-MHECFPHRSA-N 479.574 0.881 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831901974 CWNACFPGYAZLRV-KDGIGMFRSA-N 450.467 0.820 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CCO2 1832035979 GGTDDFIWLPBLMY-GAJHUEQPSA-N 467.563 0.784 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)CCO2 1832427779 RYYQYDMSPBVELL-IYZQMXKPSA-N 490.488 0.591 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833568550 CLVNKQQDUHHJBP-HSZRJFAPSA-N 454.458 0.904 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833617380 GUBCBQGUTXDPER-KKSFZXQISA-N 450.561 0.307 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834034399 OTEXVKPLCYMPCZ-WZONZLPQSA-N 473.530 0.463 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3C)CCO2)C1 1834430423 VANXJYLPTGESQW-CYFREDJKSA-N 489.573 0.715 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 1834519238 YOPOJKMJLJJBNP-HSZRJFAPSA-N 454.571 0.761 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)CC2)ncn1 1835338783 SPJDYHSSRNYPTB-XMMPIXPASA-N 484.557 0.462 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835352054 LQXAMRMOHMOCTJ-DEOSSOPVSA-N 470.526 0.527 30 20 JCED Cc1cnc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cnn2c1 1835677288 LNSGIOYDZNFEFJ-HSZRJFAPSA-N 469.546 0.390 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CCO2)C1 1836684707 IQIFXWBMFVPYDG-OFVILXPXSA-N 470.570 0.894 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCc3[nH]cnc3C)CCO2)C1 1837327947 BHJQUPMOUDISKN-LAUBAEHRSA-N 450.561 0.446 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1837529942 HCHIKZGXBRCELO-IWXLIXGASA-N 471.514 0.933 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1)c1ccccc1 1837611818 MMJFBEUITMVGJW-CJFMBICVSA-N 482.537 0.192 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)c(Br)n3)CCO2)C1 1838378033 YBRKGVKWXDZYBL-VFNWGFHPSA-N 496.358 0.961 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)c1 1838581917 WBDZQQIIFHWHTC-XMMPIXPASA-N 482.493 0.660 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C(\C)NC(C)=O)C3)C2)c1 1838585072 WZTVEOAPVCFVGS-MPAZDJCUSA-N 456.499 0.677 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)[C@@H]1SC(=N)NC1=O 1838906838 IQMHMIVKSRBGBJ-JKXTWKSPSA-N 471.539 0.431 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839372790 HKXPWWJKECUEGK-JOCHJYFZSA-N 464.471 0.383 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCN(C)CC4)C3)C2)c1 1839451618 GGAYJMHREMINGF-VWLOTQADSA-N 469.586 0.574 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1839688697 LQDBBVHPIOJCFM-KKHYBRAUSA-N 453.442 0.686 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)cc1 1839783976 GHJOTLUQIHROJO-KNQAVFIVSA-N 461.540 0.400 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840063433 BSYNEAWGXUWBDW-DVECYGJZSA-N 488.541 0.774 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840160566 LLDQYHBLLXSKNY-CKJXQJPGSA-N 473.592 0.397 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CN(C)C)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251799 YZQHFJVTBBLWCX-FDDCHVKYSA-N 466.579 0.570 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CCO2)C1 1840372085 PTUKLGTXEQICPX-XLIONFOSSA-N 469.489 0.125 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1840795948 LCANBSGVNPMQQN-PNCHPQGNSA-N 482.578 0.437 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)[C@@H](C)CC)C2)C1 1840908473 BSSUTVIBHIMIJQ-YBJWPOLQSA-N 480.606 0.733 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)CCO2)C1 1840945109 MZPSCCRKPJILII-SBUREZEXSA-N 499.580 0.975 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(=O)C1CC1)C2 1844215327 UQVVDIFUIZBNOR-MRXNPFEDSA-N 478.546 0.974 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)c3cc5n(n3)CCCNC5=O)C4)c2c1 1845581831 LHCZIHWUVRZZPJ-UHFFFAOYSA-N 458.482 0.895 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)O)C1 1846173762 LOWXZNAGWHLPAR-CABCVRRESA-N 454.524 0.376 30 20 JCED Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(=O)c(C#N)c1C 27945161 VKLNYOIKWLCLSA-UHFFFAOYSA-N 460.472 0.173 30 20 JCED CCc1ccccc1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccnn2C)c1=O 502063916 OTINDZYPLMPJEV-UHFFFAOYSA-N 492.605 0.146 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCN(C(=O)C5CC5)CC4)nc3)CC2)nc1 506399753 VKQHQOLRFGZXDZ-UHFFFAOYSA-N 488.552 0.694 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O 524282723 HLESCTPFAXYBOL-UHFFFAOYSA-N 480.468 0.462 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OC)c2OC)c1=O 603792460 FISBQZWOGBMXKW-UHFFFAOYSA-N 484.578 0.064 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 608828687 GSVVYZIOLIMDDY-UHFFFAOYSA-N 494.598 0.696 30 20 JCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cc(C)on2)C1=O 726403665 LVTSRCMLAZKSSO-XAIYEJPOSA-N 451.530 0.767 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(C(N)=O)cc1 726575585 KVNIBCIZIBLYDH-UHFFFAOYSA-N 464.551 0.378 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cccs3)c2=O)c1 726579869 QLJXZPPMLCGOOG-UHFFFAOYSA-N 490.610 0.893 30 20 JCED CN(C)S(=O)(=O)N(C)CCOC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 731142542 OYUWKDQPSDQPOZ-UHFFFAOYSA-N 460.578 0.567 30 20 JCED NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 731192995 XOONDJDTMHTPQA-UHFFFAOYSA-N 461.475 0.498 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CCOC 838162320 HKHZXPUOVRBLSV-UHFFFAOYSA-N 461.540 0.611 30 20 JCED COCCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccnn2C)c1=O 914565140 VXIMGONIVTZIAZ-UHFFFAOYSA-N 467.507 0.203 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCOC 917770720 NSOKMZITDOZOIF-UHFFFAOYSA-N 457.552 0.537 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1298748908 YINHYTAHJONEDX-QGZVFWFLSA-N 450.521 0.130 30 20 JCED C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1303697503 YASXWAVXBARLDI-HKUYNNGSSA-N 489.602 0.645 30 20 JCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1465083343 SWIGYYZTSSTEDW-GOSISDBHSA-N 454.574 0.499 30 20 JCED COCCN1C[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)CC1=O 1555571525 GPIXQJNPYVCQNB-HOTGVXAUSA-N 467.596 0.513 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1618310103 UUGWOPNINLJFRE-OAHLLOKOSA-N 452.562 0.237 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N1CCCC1 1636208070 SKKSVYYROICYNM-INIZCTEOSA-N 456.590 0.682 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1692544462 NTEJYQAPVQATHQ-FUHWJXTLSA-N 454.535 0.813 30 20 JCED CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1695937454 IWVABUFEICVPRM-UHFFFAOYSA-N 474.591 0.996 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1729543191 XMBRVLTVQWWNKG-UHFFFAOYSA-N 474.635 0.828 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC1CC1 1760695714 MOYWFKYJZPFWPM-ZBFHGGJFSA-N 474.609 0.032 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1761498316 RPTNIBVMHIGBAW-JKSBSHDWSA-N 489.602 0.626 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4cc(Br)ccc4n3)C2)C1 1778619748 QDLCWDGZMQPBTP-IBGZPJMESA-N 461.272 0.628 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778791603 IEIKKNQRBUXEOW-ZBWOKKAISA-N 496.561 0.350 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1779066099 BDSASUMMJHKVEH-IBGZPJMESA-N 455.437 0.966 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1)c1ccc(O)cc1 1779879578 KFZJJXWLTVFLCJ-AVRWGWEMSA-N 477.521 0.922 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1781251802 ISRRWYKEUSAFRF-PNLZDCPESA-N 452.552 0.810 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793584 NARYILVCZLKQLS-REWPJTCUSA-N 457.483 0.691 30 20 JCED CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C[C@H]2C[C@H]21 1782009757 XZPHTKPDYHGXGE-WKZKIQQPSA-N 475.542 0.986 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccc(N(C)C)c3)C[C@@H]21 1783529587 SBFUGJVDWKBFIZ-MULLQVGPSA-N 470.570 0.970 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccc(O)nn4)C[C@@H]32)c1 1789260011 SMNJXNSAVDPSMS-SNRMKQJTSA-N 467.482 0.735 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)C1 1789810707 DDOGXESGTXFSOG-AVEIZBFRSA-N 450.536 0.498 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789936415 CHTMGDAPKMFZRJ-UQYYQHRBSA-N 489.569 0.994 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNCP(=O)(O)O)C[C@@H]32)c1 1790271155 IWWQLMNHMJMJEC-SZMVWBNQSA-N 450.432 0.185 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)N4CCOCC4)C[C@@H]32)cc1C#N 1792058395 XNUDTSMNCKGUJZ-NHTRMHBPSA-N 486.569 0.589 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C1 1792531472 YQJQJMYTTCENLE-JFQQFOBUSA-N 473.570 0.873 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CC 1792862889 GZFRGJQRSRYZPF-MDMSPXHWSA-N 498.577 0.152 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794213531 HSFNIFNSXZEPDJ-VKPIURLWSA-N 475.546 0.692 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795423960 REMUBESZEIQKMP-YALNPMBYSA-N 452.508 0.336 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)C1 1797145750 STOWRZUUOOIUCS-IHLFGYOASA-N 480.562 0.972 30 20 JCED Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)c2ccccc21 1797172004 PQBBCHUXFSTPMJ-GPVSGQMNSA-N 499.531 0.991 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2ccc(C#N)cc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c1ccc(CC#N)cc1 1799643873 ZPTSIUKCFIZHEJ-DMUMMCEESA-N 458.515 0.799 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)ccc1Br 1799708731 XLENBSVLRGFVCF-IARIHHJXSA-N 490.314 0.122 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)C[C@@H]2C1 1800778717 DDLRDNJYOSNBHA-RPXQCPFCSA-N 461.515 0.311 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1801419800 XNQMNSCAZDOAIO-YYQBIWNASA-N 471.514 0.970 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(C)C)c(C#N)c1 1801849307 XTUULOISFJYEMJ-XAPVIXHLSA-N 472.542 0.700 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2)NC(=O)OC(C)(C)C 1801932114 QRMSFIBPGDOXDN-MPWIWIEXSA-N 490.557 0.361 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@@H](CNC(=O)CC#N)[C@@H]3c3cccnc3)csc2n(C)c1=O 1806284410 REBUTCQTNHHBCH-YWZLYKJASA-N 480.550 0.856 30 20 JCED C#CC(=O)N1CC[C@@H](CNC(=O)c2ncn3nc(N4CCOCC4)ccc23)[C@@H]1c1cccnc1 1807793074 TVDUIHKPBIFYHP-MBSDFSHPSA-N 459.510 0.914 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1817315260 KHFYGRMBYCXHAJ-CQSZACIVSA-N 467.494 0.123 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1824459701 UYLVBHRQWQKCRQ-WRAQBFHGSA-N 468.620 0.792 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCN2C(=O)OCc2ccccc2)C1 1829023389 OXXLNYPYBLAPOK-CJFMBICVSA-N 494.552 0.769 30 20 JCED NC[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1829044190 IPZOWVGVNFTNDT-GBXCKJPGSA-N 453.543 0.138 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1829348046 IYPRNNRWTOJNPC-RLWLMLJZSA-N 497.596 0.835 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829896804 YSSDAAFMAVETFH-IBLIISRWSA-N 452.511 0.416 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)nn1C 1829904161 KVXPNIZJFRHMAR-QHCPKHFHSA-N 453.499 0.613 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1830534068 WNJPCRDPBYBYBT-OIDISNMWSA-N 467.563 0.683 30 20 JCED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(=O)c1ccccc1 1831145693 RTVSVRBMEHMYEM-VWLOTQADSA-N 485.585 0.497 30 20 JCED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(=O)c1ccccc1 1831148028 RDVRLCCIIVWINI-MDQJKVKYSA-N 482.537 0.927 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832531867 VEELZEJWRSWWKG-XMMPIXPASA-N 468.510 0.679 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCO3)c(C#N)c1 1833389507 MOSSPXRIYCEXEQ-RUZDIDTESA-N 495.536 0.580 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 1833769759 RWZRBJQGNONMBH-SFHVURJKSA-N 457.575 0.974 30 20 JCED CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)o1 1833904092 RUIVXQWCSVYQLV-QHCPKHFHSA-N 469.498 0.761 30 20 JCED CC(C)(C)OC(=O)N1CCC(CNCC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834758626 RGRREFMBGVIYCH-XMMPIXPASA-N 493.605 0.593 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1835118816 GYHJENQAFLFQLA-ONEGZZNKSA-N 487.582 0.610 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835351445 VZWKFMCATUFICN-MGPUTAFESA-N 456.586 0.407 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835363015 ZNHRNXCNSIOYSC-GNVZTASGSA-N 462.547 0.859 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CC4)CC3)CC2)CC1 1835440339 URIBWRZQDVQQTM-UHFFFAOYSA-N 465.620 0.533 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1835677075 HYRPPXMWYWQDJV-QHCPKHFHSA-N 454.531 0.915 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1835677885 ZMZWPOWZTKBTQG-QHCPKHFHSA-N 454.531 0.686 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1835682381 FREXRGIUQORGPY-JOCHJYFZSA-N 460.535 0.017 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccccc1N)CCO2 1835774015 GNMMGGZCDHQMLY-QJTOUBETSA-N 454.527 0.597 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836058670 QHAAAZLCFLRSDK-NTKDMRAZSA-N 491.589 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccc3occc13)CCO2 1836289232 USBRQPAKYBRDIL-GYLQWBMOSA-N 454.483 0.756 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836297718 FYMUSSFVSGSTLS-OPAMFIHVSA-N 478.550 0.653 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837443604 LWKUJSBDAZFEEM-GQBVICOWSA-N 462.551 0.071 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(C)(C)C 1837486695 MMDMTSQWLPROKV-BWKNWUBXSA-N 477.602 0.692 30 20 JCED Cc1nccn1CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837532201 ADUITMLCIUAQAV-JPDUQLBUSA-N 477.562 0.957 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)no1 1837545934 QIFUCROMLNKJMW-XMMPIXPASA-N 481.509 0.284 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3C(F)(F)F)CCO2)C1 1837957955 SJJGKODWKOVGCO-AUUYWEPGSA-N 458.437 0.547 30 20 JCED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)n1cnnn1 1838401419 YAOSPAVGKCBDRM-SFHVURJKSA-N 458.563 0.931 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1838533085 IXYPWLIBURTFCD-XMMPIXPASA-N 457.527 0.154 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CC(=O)N(C5CCCC5)C4)C3)C2)c1 1838732759 ZSPUAWBYUSGLPW-HOYKHHGWSA-N 469.542 0.747 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(n4)NC(=O)CC5)C3)C2)c1 1838736113 JYUNYMLUCRNXJS-QHCPKHFHSA-N 464.482 0.550 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC(c5ccccc5)=NN4)C3)C2)c1 1838740324 KFHCGMIZDTUMLZ-URXFXBBRSA-N 462.510 0.723 30 20 JCED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)c1OC 1838841470 YBKALZROLWTUBF-AOMKIAJQSA-N 464.519 0.970 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)c1 1838905445 GHQFCNLBSHIIGP-XMMPIXPASA-N 463.494 0.453 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839132025 NUUFDOJPVISEKL-DGQXCUQSSA-N 471.510 0.685 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839371998 AXEUJTOKYRAIRG-JOCHJYFZSA-N 462.503 0.155 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839637054 VCCDUHUXILYDCS-FXEGWKDQSA-N 479.537 0.921 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(I)ccnc3OC)C2)C1 1839808898 JDABUKDSCUMIOT-SFHVURJKSA-N 485.278 0.398 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)CCO2)C1 1840018285 DUZNSHGMXMNZTG-RZOYPLJHSA-N 499.630 0.643 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1840045128 RXAQOALASVSCIW-KOAQGZTJSA-N 491.541 0.319 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1)c1ccccc1 1840157699 YAYATTGIANGOKK-LUQKVYGDSA-N 451.545 0.858 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840484467 RJRPKJCRIQUTPO-XMMPIXPASA-N 466.494 0.615 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)C1 1840818345 XKEWVHPWQWBSSD-CEYNDMKZSA-N 485.537 0.983 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)C(C)C 1840819699 AQZHOOLJWWXGJZ-ISKFKSNPSA-N 473.526 0.981 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2)C1 1840916122 ADEVKRONRJYHIJ-GGUMNFRJSA-N 499.605 0.698 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2CC(O)C2)C1 1841302826 XXYLPPDEMBMWLN-OFLPRAFFSA-N 480.562 0.766 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1841580116 GVRNTHGDTLJHIG-CVEARBPZSA-N 472.608 0.987 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1841599297 MKAHUKLRKSTKHA-IAGOWNOFSA-N 478.594 0.385 30 20 JCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@H](C)NC(=O)c2cnccn2)C3)c(C#N)c1 1845139113 DZNFFSBLRFNEHT-INIZCTEOSA-N 462.510 0.921 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C1 1847044203 KRHDYXHCOIUKPI-HOTGVXAUSA-N 451.520 0.685 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1847073871 MZGXMSWJJSKDDM-RTBURBONSA-N 486.573 0.577 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccncc2)c1=O 514915011 MUMFKJCKKUKDOD-UHFFFAOYSA-N 473.624 0.009 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1cnn(CC)c1 523581477 XLSHLWKORLQSHL-UHFFFAOYSA-N 495.561 0.890 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)CC1 589797348 KVFQYUSQDQQTEE-SFHVURJKSA-N 468.491 0.895 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 603796016 ZMZPFGXZRLXOTO-UHFFFAOYSA-N 463.506 0.976 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 603796545 HUTJMWAFJQCWAK-UHFFFAOYSA-N 486.594 0.288 30 20 JCED CS(=O)(=O)N1CCN(CCNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 604537059 MMKWVYBZFPEEKL-UHFFFAOYSA-N 474.591 0.135 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)cc1 608911975 XWWHCJFYWFYRMW-UHFFFAOYSA-N 492.513 0.317 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 609074757 PJMKWKUBQKZRCR-UHFFFAOYSA-N 480.512 0.689 30 20 JCED C[C@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577338 OIGDNZVFICUUHO-YWZLYKJASA-N 490.589 0.929 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)nc1 729009051 PRXHWWKFKFKZCT-UHFFFAOYSA-N 455.492 0.955 30 20 JCED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 731063463 OJLHAZHQTDGXNI-ZDUSSCGKSA-N 470.511 0.867 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)cc(C)c2)c1=O 742530732 DYQDPZDZUAGJFF-UHFFFAOYSA-N 470.595 0.125 30 20 JCED CC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1cc(C(N)=O)n(C)c1 767033618 PHKJVIHXLBHRHT-UHFFFAOYSA-N 450.477 0.889 30 20 JCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)cc1 784873290 HYJYROMSTKXRME-HXUWFJFHSA-N 457.468 0.344 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1(=O)=O 1301969492 XVYFLIVTTVZXNC-OAGGEKHMSA-N 474.609 0.174 30 20 JCED CNS(=O)(=O)NC1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1463609485 RTJPDPRDPDDULY-UHFFFAOYSA-N 455.331 0.667 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1516854210 VWSWJYOMDCVDGS-MRXNPFEDSA-N 462.532 0.667 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1519178503 IKBKISPQCWMZEE-INIZCTEOSA-N 456.528 0.720 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617709027 KJJPIIXWRVRYLP-UHFFFAOYSA-N 467.559 0.825 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1642089838 XSCGKXLHBCPREI-FXAWDEMLSA-N 451.568 0.796 30 20 JCED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1696839443 XLHAASWSQMHOFG-UHFFFAOYSA-N 498.656 0.676 30 20 JCED CNC(=O)c1cccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1729652588 SSNJSMSDKZCZPP-QFBILLFUSA-N 489.602 0.809 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCOC2)c1 1768523491 JXIHLWKZKNIGTI-VQTJNVASSA-N 464.523 0.789 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1779100688 DBCMRTJZXKMRNP-YHAFYQSGSA-N 463.491 0.671 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C3)c1Cl 1780098497 UJXQNDGHVJRQDN-GSHUGGBRSA-N 461.950 0.932 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)N1CCN(C)CC1 1781097704 OVKBSQJVMXPKGI-NTKDMRAZSA-N 455.559 0.403 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)cc(C(F)(F)F)c1 1782034290 QKWDAGLOIHEEIT-JXFKEZNVSA-N 467.448 0.613 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn2[nH]cnc(=O)c12 1782196734 FWJNZFUQMUCQJN-XMMPIXPASA-N 486.492 0.836 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1782275725 UZNCGPAPIUPMGW-WSCWJOSJSA-N 454.527 0.977 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO2)C1 1783769455 TYCHWLANBKDRMU-JLHGSKIFSA-N 485.603 0.863 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1783884963 VSTZOBPECZCUDP-GAJHUEQPSA-N 497.593 0.183 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1784357620 YIYDRHYSCXLMKI-WZONZLPQSA-N 470.530 0.882 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1785607831 DNLIFEJIHYLRPI-NYYQQGIOSA-N 491.545 0.297 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785631655 XPGYBWHICCOVBF-OPAMFIHVSA-N 465.551 0.181 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1)NC(=O)OC(C)(C)C 1787093669 YDUFYTGEOIERKQ-MHORFTMASA-N 477.566 0.512 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787386627 NIKIBJBJLVWFCQ-XIRDDKMYSA-N 455.519 0.310 30 20 JCED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1788612376 MUZNUEOXAYTBFX-UFYCRDLUSA-N 457.600 0.955 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(O)nnc4O)cc3)[C@H]2C1 1789273327 FXKUBRGVSODBQX-WDSOQIARSA-N 499.524 0.781 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)C(F)(F)F 1790884595 DPXIURNVQLKNEO-SRVKXCTJSA-N 451.492 0.945 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1791266229 NAGVACLEEZKIGW-OWSLCNJRSA-N 470.636 0.837 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1792146454 UIBKJEVSNQSRQJ-WBKMXMRLSA-N 469.567 0.943 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)cc(C(N)=O)cc1C)C2 1792490312 VHMKSLSTZRZDFX-DBXBBDQRSA-N 454.527 0.464 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccccc2=O)C3)c(O)n1 1794489799 ISRJDLHJQYJXFY-FAQVEIGNSA-N 452.511 0.971 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C)cn1 1794704893 QDOJTOIAEIQQPU-ZMMAXQRCSA-N 457.531 0.905 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797808745 PFUMKNWOFJFHIM-IXLLBFHCSA-N 494.570 0.358 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c1 1797815947 BJMODTOZEDDXGD-CCLIXHCOSA-N 497.545 0.961 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)nc3cccnn23)c(C#N)c1 1798498176 GKMBGVYIODYWCJ-MRSFGVLCSA-N 488.504 0.416 30 20 JCED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)n(-c2cccc(=O)n2C)n1 1798694035 SIZPOFRXKOGZAX-FAQVEIGNSA-N 475.509 0.596 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1799232822 DKWOISXDIPJOSQ-DMUMMCEESA-N 499.630 0.708 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1799321937 SHQKOINHUJZWNU-YYAJDYIMSA-N 491.593 0.769 30 20 JCED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOCCOC)C2 1800492635 QIAMFWCLDMFACR-XWSHUIEDSA-N 456.580 0.875 30 20 JCED COC(=O)[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2)NC(=O)OC(C)(C)C 1800912114 RZIQTDZVTBTVKH-OGJJZOIMSA-N 498.577 0.833 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C2 1800997233 YMDLWUSTMLKCDI-HATOLVCRSA-N 462.591 0.932 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802084444 JBPAILOKCINCOP-JCECYMMASA-N 481.546 0.071 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(CCOC)n1)C2 1802128036 WCRFAWWTWVYVCY-AJYBTWMASA-N 489.573 0.649 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1802138535 KNPWLYTWOREZQT-PQTWZCJSSA-N 476.574 0.572 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccncc1=O)C2 1804375800 ATPSHLLMSYEDQS-MHORFTMASA-N 457.531 0.798 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)N1CCOCC1)C2 1804376728 NUHMRNZVUVUDPE-VPMQLGLMSA-N 464.563 0.192 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CNC(=O)c2cc(C)on2)[C@H]1c1cccnc1 1810375607 YKABFJODQAVCML-AWWPTUBISA-N 480.525 0.672 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815069723 ITAYASAKALVCBG-NFAWXSAZSA-N 492.602 0.565 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1815671059 VBMLCNHCHQUOKK-GNFOSXPUSA-N 479.607 0.604 30 20 JCED O=C(C/N=C/c1ccco1)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816674035 RQXMUFAQGKEMOO-OTWRLEFPSA-N 467.471 0.207 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c1 1825671010 SXCKBXOLCZMZQO-JTQLQIEISA-N 465.484 1.000 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(O)O)CCN3C(=O)OCc2ccccc2)c1 1828524950 INKFAWOIXPGMOJ-VWLOTQADSA-N 478.505 0.935 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628616 QYDYYEFDQOZFNF-KOSHJBKYSA-N 456.543 0.862 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830676064 YONRBGFKJAXKOI-UZXLYKSHSA-N 471.554 0.907 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213554 SWYDQWFHBRJDER-WZONZLPQSA-N 464.563 0.098 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1831998832 MFLFYUOPRBRBET-NTKDMRAZSA-N 489.573 0.945 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(Cc3ccccc3)C1)CCO2 1832303862 PKPQKJKJLSDTHY-PXDATVDWSA-N 469.538 0.443 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833564434 ZEDPVHCHTRAAIX-RXVVDRJESA-N 485.628 0.651 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@](C)(O)C(F)(F)F)CC2)CC1 1833639229 SWCGEVBRZBGVIW-BBIZLLLXSA-N 460.497 0.730 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833653776 YKWHUXIQFPWMSP-DEOSSOPVSA-N 481.557 0.619 30 20 JCED Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)c1F 1833676715 YAHKYQPIDCACEV-QFIPXVFZSA-N 457.462 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cn3ccccc3=O)CC2)CC1 1834820789 JGBLGXKTYFFLQS-SREVYHEPSA-N 455.559 0.278 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3nn(C)c4c3CCC4)CC2)CC1 1835394861 ZQRMNQNULCBPBW-FPLPWBNLSA-N 468.602 0.952 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1cccnc1)CCO2 1835680295 GQRPNDANDXTTRD-YRTIDYAOSA-N 457.531 0.197 30 20 JCED C[C@H](Cc1ccncc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682212 BUZILELDSAFSCW-DVECYGJZSA-N 457.575 0.998 30 20 JCED NC(=O)c1nccnc1C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1836050180 HWODGKLIAPUJEW-PYNCTGKJSA-N 487.561 0.290 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836685875 VLPBCQHFFUOQGI-HNVPCBRESA-N 487.597 0.935 30 20 JCED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c1 1837116426 DECAYNLMKGTOPN-LJQANCHMSA-N 453.499 0.769 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837363122 CWFLNFXPYSIXMO-QMHKHESXSA-N 493.561 0.178 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1837393199 NLYWYXUYTUDNAJ-IBVKSMDESA-N 499.564 0.702 30 20 JCED O=C1NCc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)ccc21 1837491714 WGSFAGYMHIWHIO-SANMLTNESA-N 481.549 0.699 30 20 JCED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c(F)c1 1837524296 DXGGFDZTFZUGLE-ZGOGOCENSA-N 480.493 0.828 30 20 JCED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n(C)n1 1837531660 SMABBTIWEQRAJE-KHLOOKIASA-N 463.535 0.582 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837762136 KBRKKWYZFJPKQX-VWLOTQADSA-N 495.536 0.946 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)c1 1838584802 HLNJZZOOCZDLBX-CLOONOSVSA-N 485.585 0.273 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)CCO2 1838834826 AIIQJSGPAVSAOG-OAQYLSRUSA-N 450.492 0.008 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1839129920 PBUDUZDTAWGCCB-XLNZFTOWSA-N 481.590 0.911 30 20 JCED CCN(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132285 CKEHPUCPKOTLGO-UUOWRZLLSA-N 458.559 0.906 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1839185302 WBSDOAXTUVHWQG-ZHRRBRCNSA-N 478.550 0.734 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839204607 FILCTMOALDQPCQ-KKSFZXQISA-N 454.524 0.022 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1839223004 HVPYRSGTFXSWSR-VGOFRKELSA-N 496.586 0.497 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1839225702 QYRCMGFDNQTBIZ-HTAPYJJXSA-N 458.519 0.909 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)[C@H]1SC(=N)NC1=O 1839420357 DREHSFBKCYCICH-GZOOOWMASA-N 489.529 0.570 30 20 JCED C[C@H](Cc1ccncc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839657721 HBFLSLRGEABWAW-NTKDMRAZSA-N 457.575 0.998 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1839670511 MHNNGBYUXUHXLM-JOCHJYFZSA-N 471.445 0.342 30 20 JCED CN(C)[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(Cl)cc1 1839732059 OZTCGPFZLMQIHF-RBBKRZOGSA-N 463.918 0.487 30 20 JCED Cc1cc(Br)c(N)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041621 XTNLXLNDVDYVJA-FQEVSTJZSA-N 480.315 0.498 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1840169558 LKGZCDVMCMXIPC-CLOONOSVSA-N 486.569 0.882 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1840179420 MIGMPRIDKZTVBC-YYHIUQKOSA-N 480.539 0.559 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1840293574 JSWLNUAMKRXGGK-FDDCHVKYSA-N 457.531 0.245 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1840714110 NLUJLDPCHVMTTJ-BVZALQNUSA-N 457.531 0.831 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1840818830 ZPGPQDPKNOISKJ-VWLOTQADSA-N 493.520 0.218 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)C(C)(C)O 1840916607 RVTQVJBNGBLSGJ-WAIKUNEKSA-N 482.578 0.657 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1846282935 YATXBAFYOJOLDU-RBUKOAKNSA-N 470.574 0.483 30 20 JCED CCCCN(C(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O)c1c(N)n(CCC)c(=O)[nH]c1=O 31805828 DGBVCVXOWHXJMQ-UHFFFAOYSA-N 458.475 0.182 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccsc2)c1=O 501770302 NZJRGEPHBXLRDD-HNNXBMFYSA-N 461.565 0.723 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O 524281925 HENRRGIMVJMUNC-UHFFFAOYSA-N 482.562 0.078 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 603455302 DWOJNRHBRATIKJ-UHFFFAOYSA-N 478.552 0.378 30 20 JCED C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577337 OIGDNZVFICUUHO-QRWLVFNGSA-N 490.589 0.929 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)CC1 728533860 UEUPUTHYSYFEDA-UHFFFAOYSA-N 460.600 0.264 30 20 JCED C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)C(=O)N3CCS(=O)(=O)CC3)ccc2c1=O 729270471 HOTIXQMARDAGNS-LBPRGKRZSA-N 450.542 0.247 30 20 JCED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 825259563 KUKBAZAYRZBYKE-UHFFFAOYSA-N 464.525 0.813 30 20 JCED COc1cc([C@H](C#N)NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc(OC)c1OC 1325965281 BQXDEWJXAFBVBD-KFWWJZLASA-N 451.501 0.429 30 20 JCED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)CC1 1443310479 JZLIXNANNNLZCD-UHFFFAOYSA-N 453.503 0.060 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1517599440 JGKYWPHYUMKTFT-SFHVURJKSA-N 489.602 0.973 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1617706337 SWUONUHOUWFRQP-GFCCVEGCSA-N 458.342 0.656 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCCC2=O)C1 1712707170 XDLQCZWFDGAOOE-MSOLQXFVSA-N 495.606 0.132 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740739696 YCLPKSABAHQQKE-GXTWGEPZSA-N 458.386 0.973 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)CCO1 1767728105 ZUCQLAUJSFKUHR-LJQANCHMSA-N 450.503 0.885 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777864811 SLXJJKIDYKVTLW-WEHRJKGCSA-N 467.526 0.179 30 20 JCED Cn1c(=O)c(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nc2ccccc21 1777887617 FKRPPYBDZOFFEM-NWOJAFKDSA-N 483.525 0.906 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062508 MYQDATDXDXDPAP-PCGJDWNTSA-N 497.592 0.694 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1)c1ccc(O)cc1 1779094421 FWWLHNMHSAQWEB-JHMXWDHMSA-N 471.554 0.370 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1779323259 OJTVAVBOFIAEMA-IMWIBFENSA-N 496.605 0.827 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1781290700 IWXJSAKAGPVOPO-ZHRRBRCNSA-N 452.552 0.764 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1781310086 ATOULWIMQBSGCH-MFSJNOQSSA-N 497.556 0.935 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1785196813 QCSDHMHXQYFIIG-RDPSFJRHSA-N 472.542 0.940 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)[C@H]1CCc2nc(O)nc(O)c2C1 1785331395 WDWVRPSKYCZJAD-CBTNODTISA-N 483.525 0.685 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CCO2 1785421202 NHKLWPQSWHFLTI-QHCPKHFHSA-N 467.563 0.788 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785669526 LBIFMAPGRHPNJG-BTYIYWSLSA-N 470.592 0.214 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786693442 YBZDRVFQYYDHBU-FHWLQOOXSA-N 494.589 0.828 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1788091456 ZLKYNFXXTZSKAZ-XLAORIBOSA-N 450.536 0.906 30 20 JCED C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788628007 PGISTHIKXKKLPE-MUGJNUQGSA-N 455.559 0.955 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789934619 YMKRLCIZVLIOMW-PJVZLEMVSA-N 483.606 0.815 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cnc2c(c1)CCNCC2 1790618876 PJTXGFORABWHHI-DXBIYWELSA-N 468.602 0.835 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ncccn3)C[C@@H]21 1792261896 SNPJGWPEAMCKCA-VJANTYMQSA-N 471.558 0.915 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)n(C(C)C)n1)C2 1792484636 SDAXAGLTDBNZFL-XTLOUAGDSA-N 459.503 0.224 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)c(OC)c1O)C2 1792490721 LKKIPRWXNKWJTQ-YUBWNGLZSA-N 459.499 0.471 30 20 JCED CC(C)(C)OC(=O)N1CCC(F)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1 1792527628 IZJALTIVRWFAMB-JLVBRIDZSA-N 467.494 0.403 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)CC 1793244902 XYELVTVRFBXLSR-OGJJZOIMSA-N 466.579 0.960 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1793360201 HVQLUDTVSKDNTR-HVRFAWQISA-N 467.563 0.539 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794107960 DGEACRWCYQYCDK-XRQSXFTLSA-N 450.561 0.537 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1794156813 XOILGFRWAGVDLL-BMQTXXJKSA-N 486.525 0.195 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)N2CCN(C)CC2)C3)c(O)n1 1794492017 QITZPBSVOXWWDG-NXWNEQKCSA-N 471.602 0.745 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1800788402 GRGFXUNACSVROW-YNZBODFESA-N 499.568 0.848 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C 1800981204 KPQYYCZIYVDDDN-DMUMMCEESA-N 492.573 0.795 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1800992338 AOYYEHZGLWPKEI-OPMZPASUSA-N 466.542 0.573 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)o1)C2 1802125700 OCFGAXVTYZOGKW-LORHWOILSA-N 461.515 0.892 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1803506365 JWGOGNOEKLPOQT-WLSQFHFUSA-N 495.602 0.944 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1803547631 MVPNYTCKWNYMLI-QFUCXCTJSA-N 462.572 0.551 30 20 JCED CN1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=N/O[C@H]2CCCCO2)CC3)CC1 1818799843 HZNQJQSNZUEUHI-UJODVWAPSA-N 464.592 0.832 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819845828 KQRQEKSXWCWKQX-NVXWUHKLSA-N 462.572 0.905 30 20 JCED N=C(N)NCC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828571564 CDCXFYGMWRGMDA-XMMPIXPASA-N 466.542 0.335 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccno1)CCN2C(=O)OCc1ccccc1 1828709247 AKSSPAWOPRIGAM-QHCPKHFHSA-N 466.450 0.828 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828805973 GZEKXVJASUJMFS-WZONZLPQSA-N 470.530 0.799 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628559 QMCMONKLDJIBJS-FDDCHVKYSA-N 492.598 0.275 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1829771085 DIROTTNPWQAWEQ-ICTHTSFCSA-N 476.461 0.662 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NNc1ccccc1)CCO2 1829801649 FYGHCFCNPDGTBJ-ZLWFTYKOSA-N 471.558 0.306 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830050143 KJOIGMOJIUPXQR-SBUREZEXSA-N 480.562 0.628 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCOC[C@@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)C1 1830064414 LFERZIZCHZIEHY-DHIUTWEWSA-N 480.562 0.364 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1830470325 SNRKDPKETNMDEE-FQEVSTJZSA-N 487.862 0.826 30 20 JCED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1831272889 UYVOBCWTAIXMPC-LJQANCHMSA-N 469.420 0.178 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832769908 QNOCVWVEQATMIR-QHCPKHFHSA-N 461.515 0.599 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc4ncnn4c3)CC2)CC1 1833075307 IKBYEGRPNIECPC-WAYWQWQTSA-N 479.585 0.702 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1833434330 WTFKWEBWIYDYTE-XMMPIXPASA-N 472.542 0.644 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1833607440 NUPHEVCJBIMSFE-KSFYIVLOSA-N 464.519 0.823 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CCc3cnn(C)c3)CC2)CC1 1834817706 OZDCJPDFIQCAAY-SREVYHEPSA-N 456.591 0.783 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1835110858 ZCPWUYKVIHSTJO-HDMKZQKVSA-N 465.620 0.952 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4c(=O)oc5ccccc54)C3)C2)CC1 1835341168 RKJRCMMYCZQAGA-HSZRJFAPSA-N 454.483 0.745 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1835674422 JLIWBZXZJCPCQC-QFIPXVFZSA-N 455.519 0.310 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1835682857 WTCZFBAPKHVBBX-PXDATVDWSA-N 482.585 0.491 30 20 JCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1835682913 YALHZTYFAMLFOB-KHCICDEESA-N 478.590 0.704 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)c(C(F)(F)F)n1 1836322076 YZERZPOGYIXOJI-IBGZPJMESA-N 480.403 0.785 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347101 AXMCVSSKKCMVMY-BTYIYWSLSA-N 464.523 0.344 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)c1ccc(O)cc1 1837367460 ZMJHLBVKNCCCID-HOYKHHGWSA-N 468.510 0.222 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc1 1837486904 SPCVYTGHNSTCMV-ZEQKJWHPSA-N 486.565 0.884 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1 1838774162 LCVZBEBZKRUALA-UHFFFAOYSA-N 455.511 0.811 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1839174917 DGEKJJUKPIGCJW-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1839175164 SKRZJXGSPUIDMW-HSZRJFAPSA-N 476.530 0.504 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839432101 BDCOZSQAPDYMIT-SPLOXXLWSA-N 452.891 0.860 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839888573 VDUTXIVRHKTEJW-FQEVSTJZSA-N 454.474 0.802 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)O)CCO3)N(C(=O)OC(C)(C)C)C1 1840029291 ZIIWHAJMMGUMRP-HYFFOGBASA-N 453.536 0.389 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1)c1ccc(O)cc1 1840220134 ZLSZPGHOAOSFQE-NBGIEHNGSA-N 483.569 0.186 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840228835 OPSHRDUCNPTBLL-NXMSCROESA-N 494.589 0.438 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840909081 MIIMIWYBWPVCAK-GAJHUEQPSA-N 489.529 0.169 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1840912467 JITIFEMUBXCHRN-UOKFIYJESA-N 477.558 0.891 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1840917985 ZKLFPGXHPKEPPL-HXOBKFHXSA-N 497.593 0.361 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844257942 AEJKBMDJXSVOEE-YZFOJRJHSA-N 455.559 0.841 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)COc3ccccc3C#N)C2)CC1 1846979261 VJLCQXNANJNHOW-UHFFFAOYSA-N 460.556 0.812 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(OC)OC 1847694094 FFYNIVDGBWVPOL-PMPSAXMXSA-N 484.550 0.613 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NS(=O)(=O)CC 1847783912 XAYSXLROWDKCNQ-NCOADZHNSA-N 472.608 0.985 30 20 JCED C#CCNC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC 19048891 YUJXFXOLOOQRER-UHFFFAOYSA-N 476.555 0.692 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3F)c(=O)n2CCCC(=O)OC)CC1 501742720 DBRWDCFJPIBORZ-UHFFFAOYSA-N 486.569 0.669 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 502688852 AUARTFWJVMBQMN-UHFFFAOYSA-N 496.549 0.950 30 20 JCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 515723484 DFYTUXGRFITDNF-KPZWWZAWSA-N 457.530 0.114 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CC(=O)N(C)C 604269826 DZCTZMRBLNXXOP-UHFFFAOYSA-N 456.568 0.271 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(=O)N(C)C 604269955 KPQAVFYONJLNRS-UHFFFAOYSA-N 482.484 0.282 30 20 JCED Cc1nc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cn1C 726770660 YSLLUNRSNCNQSP-QJOMJCCJSA-N 482.588 0.848 30 20 JCED CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCNS(C)(=O)=O)cc1 727165073 WCGOLGFDYHBNDP-UHFFFAOYSA-N 499.618 0.531 30 20 JCED CCN(C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 729687608 VGISUXXDSASRKM-GDBMZVCRSA-N 471.557 0.459 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)c1 753658848 QHWRHJORGRKGQN-HSZRJFAPSA-N 498.517 0.643 30 20 JCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 783334889 RZNXNQHTHNLEHX-MRXNPFEDSA-N 498.627 0.437 30 20 JCED CN1CCN(CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1 918279196 OBIZRURFQQSSPK-QLYXXIJNSA-N 492.646 0.972 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(Cc2ccco2)CC1 918819676 ZHGVKWJZKUUJKI-UHFFFAOYSA-N 474.539 0.986 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1296652898 WMJZTUDAEPMLMJ-QRWLVFNGSA-N 453.494 0.488 30 20 JCED CNC(=O)C(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1298926135 JXNDBLVGOQOPIK-CQSZACIVSA-N 450.503 0.693 30 20 JCED CC(=O)N1CCN(CCn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1 1301775196 OICYFQOGZKKKJE-OAQYLSRUSA-N 453.547 0.792 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1315754342 KSHPWFMZBXHPIA-UHFFFAOYSA-N 481.557 0.797 30 20 JCED CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 1502315937 WUCUTJZPCSDCJI-SIKLNZKXSA-N 496.616 0.706 30 20 JCED CCN(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C1CC1 1547578737 GEZVNGQDMHXQLD-QAPCUYQASA-N 450.613 0.549 30 20 JCED CS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1620167043 RCLCPEPEKLMYLN-HNNXBMFYSA-N 463.589 0.491 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1631790528 OPAAFNVQNBXEIJ-ZBFHGGJFSA-N 456.590 0.538 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC2CCOCC2)C1 1698314006 UJBQQKSXGAWSKK-ZWKOTPCHSA-N 468.580 0.547 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccn(C)n2)CCO1 1706055617 SNDZGQBCXHDMPL-HXUWFJFHSA-N 450.503 0.852 30 20 JCED C[C@@H]1CN(c2ccc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CC[C@@](F)(C#N)C3)cn2)CCO1 1743207937 MYDBPRFEWLPVSG-WHSLLNHNSA-N 492.581 0.999 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCN(C)C1 1749808921 WOPFNUBRYLQLPD-DEOSSOPVSA-N 467.574 0.992 30 20 JCED CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1750197906 SDFQQXLOGYVGJC-UHFFFAOYSA-N 458.544 0.689 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1763223509 NSUIFJUSRKJKIU-LJQANCHMSA-N 467.530 0.692 30 20 JCED CCN(CCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1766874329 JYJFVQHVEAMJHE-HNNXBMFYSA-N 481.604 0.670 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1779100447 AAVCVIJMFGEUEL-KPSNGJBRSA-N 460.487 0.841 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1781166414 ODMVVKKAESQZNC-AOMKIAJQSA-N 465.551 0.181 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1781696501 CNCPHXJOVYANCF-GSHUGGBRSA-N 485.603 0.462 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cc(C)c(O)nc4=O)CCO3)C2)c1 1782061090 YOVONIREFXMUIY-QHCPKHFHSA-N 451.483 0.581 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1782893734 SJARTAMNPIQPHZ-KOSHJBKYSA-N 478.590 0.991 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783164873 GCBWQQTUBPXNIU-HOOSLVGPSA-N 476.574 0.649 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)cc1 1783443802 IAFLQNXAMBAFRX-UFYCRDLUSA-N 450.495 0.396 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)O2)C1 1783555998 MOTCDWDCQSVEHN-ZHRRBRCNSA-N 477.514 0.073 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1783614992 JSNLMNXLDXYBKH-QSAZIKIQSA-N 473.530 0.700 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1784789350 YDBFDNQIPPWNOU-FJIDUMEYSA-N 450.536 0.906 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1)NC(=O)OC(C)(C)C 1785306988 SPIWKLVQTQLMBW-VBURHUQHSA-N 493.561 0.274 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1785573294 XWLFICIOVFLYQA-QQMNAOGKSA-N 462.547 0.259 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1785576484 DMJSRXXEHMCMNC-SPLOXXLWSA-N 476.490 0.678 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1787506124 IVFQZRDJGITMAH-GMZFGXKRSA-N 466.560 0.104 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C[C@@H]21 1788572697 FPJILNNVPLWLPR-OYSTVDSJSA-N 482.622 0.781 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)N4CCOCC4)[C@H]3C2)c1 1788653951 GKMRBCLGGSPGAY-CYBFVLSLSA-N 456.543 0.558 30 20 JCED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCNC5=O)C[C@@H]32)cc1 1790141311 DFWAQWQFCPPBBI-WFXMLNOXSA-N 462.510 0.600 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790330657 NFLQAZDLNITHIG-HLMLEMEXSA-N 469.498 0.644 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790910914 DIPBNBVMTQXFDL-ACRUOGEOSA-N 467.683 0.304 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21)NC(=O)OC(C)(C)C 1792109057 QYGMRYYCSLUUJV-XSLAGTTESA-N 466.579 0.914 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccn3)C[C@@H]21 1792261770 PXLDLCYWGMTJEJ-XSLAGTTESA-N 457.531 0.987 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)C1 1792631184 JCWBFHQZQLFJKX-RZFLPCETSA-N 464.563 0.744 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)C(F)(F)F 1792889673 USBIYFVUVBOGLQ-XJFOESAGSA-N 451.442 0.580 30 20 JCED C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793678652 FGYUUDDIRFCAHX-ISIBIEBGSA-N 463.531 0.557 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C 1795578463 NFXGLXFNUXZVSR-XMTFNYHQSA-N 481.594 0.992 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1)C(C)(C)S 1796031718 DYWUWJVYLDMYQK-XJFOESAGSA-N 468.580 0.610 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)nc2O)c(C(F)(F)F)n1 1796345626 QUFPEWVORORKLC-WDAIWFPHSA-N 478.387 0.690 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1797144511 PFBBBMJAQCMAPI-BCDXTJNWSA-N 463.579 0.725 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1797728833 LTFVXCXQMNUMED-UPHUGPLXSA-N 471.634 0.881 30 20 JCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)cn2[nH]cnc(=O)c12 1797838095 LMXIWQZSCQBGRT-ONPAUUETSA-N 452.471 0.246 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C=CCN1)C2 1798358107 NGCZJSKMCXPLFT-XCDZQEORSA-N 491.589 0.958 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799641843 FKSVUTIOUKESGM-RMYQPGKMSA-N 462.510 0.564 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)N(C)C)C3)N(C(=O)OC(C)(C)C)C1 1801103828 FZOYADQVQDGTTK-YVSFHVDLSA-N 450.536 0.230 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 1801868612 CEHVMFLDIFJTMM-ZRAXVTTISA-N 467.522 0.892 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2)NC(=O)OC(C)(C)C 1801930881 WXIRWIRQARACKX-CLWJZODNSA-N 455.552 0.444 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1802138738 UEMKZSGCQVGWML-AJFQYHAUSA-N 478.546 0.498 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802924845 GHSNIAKXCVIHHI-JGDUNROCSA-N 460.531 0.868 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1803503182 RLNPWPJBPYSSJZ-QFHJOOASSA-N 450.561 0.454 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1803600554 BMLLKFAIEWXBCC-JQFCIGGWSA-N 456.532 0.482 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CC2)C1 1804853817 RDRKOCYQRPRABM-XSRQRWQSSA-N 461.588 0.878 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1808430832 CGYRBOQJBDDPBN-DENIHFKCSA-N 492.598 0.327 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)ccc1F 1812716660 CXNHHTPFNHPNRD-NBGIEHNGSA-N 483.544 0.627 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1828580470 RHUYPDOXUGQPFX-KHOMTPLRSA-N 498.536 0.585 30 20 JCED O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828914483 GGZCCOBDYMMTQD-MMTNMYCKSA-N 469.550 0.518 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829047009 IZYXRASKWBSYKQ-CPJSRVTESA-N 499.616 0.006 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829134103 XXXYHOHSIFIWGM-WIOPSUGQSA-N 486.569 0.665 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1829266711 FJVIACUCPYCGMK-DVECYGJZSA-N 464.526 1.000 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4c3C)C2)C1 1829766050 IDFGFDOLIKMHSZ-WEHRJKGCSA-N 467.526 0.571 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCNC(=O)OC(C)(C)C)C2)C1 1829777418 YWLRAXOSTKSVMY-XXXZYALBSA-N 494.589 0.606 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n1 1829904819 XKGWMKIPWLLSAY-AREMUKBSSA-N 493.564 0.858 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830060582 PSUHVGWGCDVMSY-HJPURHCSSA-N 460.506 0.950 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)CCO3)C1 1830351977 DEUZCORWDBALIS-DHTSOJEISA-N 471.554 0.588 30 20 JCED Cc1cn(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)c(=O)nc1O 1830464510 HXPVIQBNSFKZQO-RUZDIDTESA-N 495.536 0.218 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1830575818 YZBDHYLQJZXSSU-YADARESESA-N 488.541 0.514 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)CCO2 1830778633 HGFIUAUSHWJGPL-PGRDOPGGSA-N 465.572 0.694 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2)C1 1831136538 JFDZSRMMOAZMHM-HRAATJIYSA-N 475.608 0.693 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CC1 1831209582 XTWBZDLZOIEAOJ-XMMPIXPASA-N 491.585 0.618 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1831387813 LEDLCGSAQRZCTD-YADARESESA-N 457.527 0.253 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1831399740 ZVRRREPTPDOEOV-NYYYPAOWSA-N 459.499 0.251 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1831407432 ZKPMKHMMEGKQDV-HZUJVAHNSA-N 468.576 0.228 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1832004110 PHZPKQKRTBZJFV-SAHWJRBASA-N 480.562 0.675 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832043801 COHICWCWNDAQNC-PNCHPQGNSA-N 465.547 0.491 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832155657 HUPIFEBAEXFWLV-ROUUACIJSA-N 450.458 0.038 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1832931492 OIWDYIATHZGZCR-IRXDYDNUSA-N 478.546 0.463 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833618077 TXDIHYGFSNZPOT-JPYJTQIMSA-N 455.515 0.928 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nc1 1833647890 RJVCBWYYSLJIJK-RUZDIDTESA-N 470.570 0.916 30 20 JCED C=CCCc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CNC(=N)N)CC3)CC2)c(O)n1 1834028329 CVIQHZNKOLDDRG-UHFFFAOYSA-N 457.579 0.574 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)on3)CCO2)C1 1834350382 OLWJKLRVJQPVBO-GAJHUEQPSA-N 476.530 0.970 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835356830 OMOVYILNCOXAOG-JPYJTQIMSA-N 480.562 0.773 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835796198 WBJGHDNCNYQFOA-VKLJRCAFSA-N 498.632 0.638 30 20 JCED CN1CCN(C2(C(=O)N3CCC(N4CCC(NC(=O)c5cc(C#N)c[nH]5)CC4)CC3)CC2)CC1 1836170541 ZMUVJQHDJIHTSO-UHFFFAOYSA-N 467.618 0.852 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)ccc1Br 1836213013 RLXUTYVQNIESJN-FQEVSTJZSA-N 489.330 0.682 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1837397047 LYDYOHWEKPTSFF-CVDCTZTESA-N 495.598 0.269 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1837440874 CWNYPKRUFOHNRT-HLHNIQGOSA-N 499.568 0.913 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490755 NZVVGWPDALAFPL-CYFREDJKSA-N 463.575 0.446 30 20 JCED N#CCCC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1837795881 YIGJWJMBOXSCSU-RBUKOAKNSA-N 491.614 0.469 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1838357637 JIRTXVUWJGLTNW-QZTJIDSGSA-N 455.552 0.623 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1838503228 JJOUMHCZEBRGBV-HSZRJFAPSA-N 453.499 0.353 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)c1Cl 1838595899 ITKSNGAOWVIECM-NRFANRHFSA-N 460.922 0.122 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2)C(F)(F)F 1838605285 WUWYESSTEQBVQQ-FQEVSTJZSA-N 497.430 0.867 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838628850 ZWZFPLGCDKBGEO-CWTRNNRKSA-N 453.473 0.712 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839062027 XRWLLQIGZULWON-NLFFAJNJSA-N 486.569 0.997 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)[C@@H](O)C1 1839108069 APAIOFJVOWNZLU-HKARXFIJSA-N 480.562 0.220 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncc(O)c4)C3)C2)c(C#N)c1 1839132254 BJZABWIFWGZNOT-DEOSSOPVSA-N 466.494 0.980 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138811 PHXPRVSWRSXJPW-WZONZLPQSA-N 483.562 0.022 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191396 GQZMDACZHJMJEN-QFWMQHCXSA-N 497.589 0.718 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2C)CCO3)c1 1839215076 WDXYNSCMZSQKQW-CVDCTZTESA-N 456.499 0.258 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)Nc3ccc(Br)cn3)C2)C1 1839807031 LAHLZIKHPDCBFB-FQEVSTJZSA-N 479.331 0.652 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOCCOC)C2)C1 1839844011 BCMNYCJKMCEFJI-URXFXBBRSA-N 486.606 0.741 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839959157 AVYDMRALJHPSOI-YJABFFPJSA-N 458.559 0.518 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1840029707 NCCVACZBKTZFAN-LGFFLQIISA-N 453.536 0.293 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4cc[nH]n4)n4ccccc34)C2)C1 1840042774 OCUDHAWYVGOCGA-XMMPIXPASA-N 477.477 0.487 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)C1 1840044009 HVMARBUNBPMCSO-RDPSFJRHSA-N 455.511 0.195 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840175581 UWGUJXHNYLVOHJ-QHCPKHFHSA-N 478.546 0.785 30 20 JCED Cc1ncc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)s1 1840399610 DQYWTYLUNGSWTG-LEAYQFNCSA-N 466.560 0.979 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1 1840716726 RJAVNYUIVKJPOC-MZNJEOGPSA-N 466.494 0.309 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840820277 HTNKQWYPOQWITQ-DEOSSOPVSA-N 488.541 0.918 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1840906475 CMUIROQZUYBJPA-UZUQRXQVSA-N 475.546 0.407 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc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c1ccc(S(=O)(=O)N2CCN(C(=O)CNC3=NS(=O)(=O)c4ccccc43)CC2)cc1 10451554 XLYOVRVHCDBCIT-UHFFFAOYSA-N 473.536 0.130 30 20 JCED COC(=O)CNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c([N+](=O)[O-])c1 29069465 WMIREKSHGDLPKK-UHFFFAOYSA-N 487.494 0.880 30 20 JCED CS(=O)(=O)N[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 29193368 VPABXSCJHKVRDC-KRWDZBQOSA-N 454.574 0.499 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccs2)c1=O 501767456 WSWFJCUZYGPDJI-CQSZACIVSA-N 461.565 0.723 30 20 JCED CS(=O)(=O)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 515074897 KZNKACOWCZCDKH-UHFFFAOYSA-N 476.580 0.584 30 20 JCED N#Cc1cc(NC(=O)C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)ccc1OCC(F)(F)F 517157468 UYNVLYGNMMHWLL-UHFFFAOYSA-N 477.399 0.969 30 20 JCED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 521742780 RNLUTKVVANLRDR-KRWDZBQOSA-N 459.572 0.880 30 20 JCED Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccn3)c2=O)c1C 603786748 RWMDJAXJMOTGRL-UHFFFAOYSA-N 489.601 0.862 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 604119727 KSAULVJWWCAAOO-CYBMUJFWSA-N 461.565 0.302 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H](C)c1cccs1 608829822 MLCQSCGZLSNEOE-KBPBESRZSA-N 457.581 0.968 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 821694128 UTCPEZJXZPBVNW-INIZCTEOSA-N 489.531 0.612 30 20 JCED CCCC(=O)N1CCC[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 917979607 QCIJXQZHPRRZRG-IBGZPJMESA-N 490.582 0.973 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 918140460 VVVAIUUCWBGECW-UHFFFAOYSA-N 457.535 0.864 30 20 JCED CN1CCN(c2ncccc2CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 921167373 HUPBUHZMLINKRR-UHFFFAOYSA-N 456.572 0.969 30 20 JCED CC[C@@H](C)[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)NCCN1CCOCC1 1565583620 RBXBTYDPNUFOEL-UZLBHIALSA-N 453.547 0.919 30 20 JCED N#CC[C@]1(O)CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1627464118 KVLDCLFYEXIXQB-KRWDZBQOSA-N 458.334 0.961 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)C[C@@H](C(=O)OC)C1 1638207909 QDSFBELXRFAZHE-WBVHZDCISA-N 450.561 0.847 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1ncn(C)n1 1692545164 YAOMABNTLGDMIR-UHFFFAOYSA-N 452.498 0.930 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCOC1 1692794944 GXGGGKIFOPRDPS-YCRPNKLZSA-N 493.565 0.377 30 20 JCED CCN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1728265646 YLYZAJVBIWAGMJ-HNAYVOBHSA-N 453.569 0.219 30 20 JCED CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766733711 JBDHEQBTTFUMRK-IWAYBZMOSA-N 480.620 0.250 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1767253427 MBGNBRVSGOOFKK-SFHVURJKSA-N 473.559 0.194 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C2)C1 1778921356 MRHSVROFHIOBQZ-OPAMFIHVSA-N 464.519 0.255 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)no1 1779122542 CYXLKBOHPHUNTJ-CMEFWWCBSA-N 463.491 0.072 30 20 JCED O=C(c1nn[nH]c1C(F)(F)F)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1780360634 HMRBXOLOSYDSMP-GFCCVEGCSA-N 477.293 0.622 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C(F)(F)C1 1781380153 OAROGMRKNBAVFJ-VFNWGFHPSA-N 485.484 0.797 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(C)=O)C1 1781789195 XADHTVAGBADOGW-AVDZWTPASA-N 478.590 0.942 30 20 JCED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015346 MGPGYYTZOUGEJG-DYESRHJHSA-N 497.957 0.927 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c3c(nn1C)CCN(C(=O)OC(C)(C)C)C3)CCO2 1783054467 GJTSFHHBXLMAFD-HSZRJFAPSA-N 457.531 0.790 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCNC5=O)C[C@@H]32)cc1 1783603494 WXWCWFIUJFNMFP-WFXMLNOXSA-N 462.510 0.334 30 20 JCED C[C@@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783778017 MUHMJXLMQSHKOE-PZPWOCDFSA-N 472.608 0.553 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1)c1ccc(O)cc1 1785153392 DLGIAHHWBTZWOC-XYYCENQHSA-N 482.537 0.467 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1785574818 TWLWDHKRAOWXTC-KSFYIVLOSA-N 451.520 0.686 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785607588 SAIFSFJYWFDKPE-WCJKSRRJSA-N 468.551 0.176 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5c4CS(=O)(=O)C5)[C@H]3C2)cc1 1787152756 ZZTQACLALMSHAZ-BXWFABGCSA-N 469.523 0.617 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787481422 JFKUFVLEHVOAGD-JONQDZQNSA-N 490.517 0.828 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)[C@H](O)C1 1788250559 SJQWQNKGGLVGNJ-QOMBBPHQSA-N 493.557 0.062 30 20 JCED O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)NCc1ccco1 1788659075 UDSOFLZNANZBQV-UWZWNUASSA-N 488.541 0.961 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCNC5=O)C[C@@H]32)ccc1F 1789907015 JRVFZFGXGJTOBQ-WJPUGNRLSA-N 480.500 0.473 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C(\C)NC(C)=O)[C@H]2C1 1790562510 DAXPUDSDVWEFRZ-KPKIYIRGSA-N 476.574 0.923 30 20 JCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1791270727 UMGSOCJIYIPRER-KNJMJIDISA-N 463.575 0.997 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792136752 KJKHTSYKBFGTHR-NXOAAHMSSA-N 450.536 0.546 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1792322563 MBBRXLYKHLTREE-KKUMJFAQSA-N 453.467 0.013 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)C2 1792491515 ZZTCZUIEOORKKE-UCYIHQFXSA-N 490.557 0.361 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[n+]([O-])cc1)C2 1793598700 CQULDGMLVJRSAV-FCGDIQPGSA-N 460.531 0.993 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c(O)n1 1794489726 CKWIZJOUTOIBAW-HBCWATKFSA-N 479.497 0.154 30 20 JCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN(c3cc(NC4CC4)ncn3)C1)C2 1795085287 DURUTIDMZHRLNC-DBHNTLKXSA-N 453.547 0.771 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O)C(C)(C)S 1795361667 YGGLRWDASPSJCX-OCVGTWLNSA-N 493.648 0.222 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)[C@H](O)C1 1795417870 IXDGFSLWEGSBKC-XSDDWTICSA-N 464.563 0.888 30 20 JCED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1796042648 FYFSPNVCMFEAHY-JONQDZQNSA-N 456.547 0.913 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797781391 ZSYMDAXGJPVJIX-RCLSDMTESA-N 493.601 0.550 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797968234 DAPCIXRKROFIPB-KHOYOECWSA-N 494.589 0.197 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 1798692585 UTFSCNAXHXYVNH-VYMYIBDJSA-N 487.557 0.707 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1nn[nH]c1C(F)(F)F 1798711634 XLUVXFUPYGRKNJ-WLOWVPMJSA-N 460.413 0.556 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)=O 1800515540 NTIIOFQZUNQOPC-PZPPHJHLSA-N 450.536 0.182 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](C1)C2C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800741495 DPVFWWLVODYWHL-MEMBVSNKSA-N 489.569 0.947 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CSc2nc[nH]n2)[C@H]1c1cccnc1 1802499093 QWJNWLZXGZJIFE-MARJLNQVSA-N 455.544 0.856 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)CNC(=O)c3cccnc3)C2)CC1 1806866465 FTWDIXYVJVOUQG-SREVYHEPSA-N 453.543 0.901 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1807125527 SFDFCNDCYVTMAL-HLIPFELVSA-N 473.530 0.418 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1808450119 LGBYCXSFSMOHDY-CZTZKLFOSA-N 460.531 0.247 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)[C@H]1c1cccnc1 1809491862 KHYOHACLFDBOKT-JRGCBEDISA-N 476.599 0.797 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1814035346 JWYREZBUSOGMQV-IMFGXOCKSA-N 455.515 0.949 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(N3CCCNC(=O)C3)n2)n[nH]1 1816251290 JEVKOMZANBCGHR-QGZVFWFLSA-N 479.497 0.525 30 20 JCED O=C(/C=C/C(=O)c1cccs1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1817287088 YXXCOJGOYUUARP-BRAIEQGRSA-N 496.534 0.996 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1828284598 LXQJEQMQUZQKAG-IPYPFGDCSA-N 492.602 0.565 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828520952 LXPKGJYVLPREEY-HTAPYJJXSA-N 465.572 0.704 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(=O)N(C)C)C2)C1 1828580058 MYKDNIIEDURJJD-CLOONOSVSA-N 484.553 0.565 30 20 JCED Cc1cc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n(C)n1 1828710338 OJNVUDBRVZOADP-VWLOTQADSA-N 493.520 0.882 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1829330168 AQNDLEPWEYGWTJ-WIOPSUGQSA-N 495.488 0.853 30 20 JCED Cc1noc(N)c1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332371 ISXOTLQQHJCDSF-DEOSSOPVSA-N 495.492 0.719 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCNC3=N)C2)C1 1829342585 LUAZFWGIMZJYQQ-UZUQRXQVSA-N 488.614 0.597 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632062 OIFNLKFJFQXNNE-XXBNENTESA-N 457.531 0.394 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1829692892 ZXAJDJNYPOZXDX-NTUVXCKYSA-N 494.589 0.755 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(F)(F)F)n3C)C2)C1 1829766014 FVUZIRYRFXUQKS-NGXITPROSA-N 484.475 0.972 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1829769272 QDLBUMXOLKUMCX-KSEXMQBYSA-N 459.499 0.329 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c[nH]c(C)c3C(=O)OCC)C2)C1 1831388723 WNMAYNHAGBALBK-DFBJGRDBSA-N 489.569 0.927 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCN(CC)CC4)cc3)C2)C1 1831402887 UMXUYOPQCVUNMJ-AJTFRIOCSA-N 498.624 0.937 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1831404585 QPPSAMFHPTUFTP-NZQKXSOJSA-N 453.580 0.976 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1831412054 BKYOVTSDLUDKRR-PGRDOPGGSA-N 471.551 0.269 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1831491756 FPHQTWWDYQIAOV-LUQKVYGDSA-N 465.576 0.006 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1831997532 BPPWWDOFVJQXRV-SAHWJRBASA-N 482.578 0.424 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1831997779 GCSSJDPXQIZPOJ-KSFYIVLOSA-N 463.535 0.949 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832005047 BLKVBOOPJNZCLN-VGSWGCGISA-N 453.536 0.655 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NCCC)CC2)CC1 1833074290 GVPPDIOQAVFCQB-WAYWQWQTSA-N 461.607 0.723 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833353523 OSANSLHQOZIQEG-IBGZPJMESA-N 490.557 0.225 30 20 JCED COc1cccc(-c2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)c[nH]2)c1 1833376285 OKRSMHWDOZEOLD-DEOSSOPVSA-N 467.478 0.848 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833568551 CLVNKQQDUHHJBP-QHCPKHFHSA-N 454.458 0.904 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)Cn3cccn3)CC2)CC1 1833884702 JFGJESIGBFIIFX-VOFKWLDRSA-N 456.591 0.949 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)n1 1835099161 ANNILKASASGHHE-XMMPIXPASA-N 452.511 0.651 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1835112079 KJJYYQAOVTVKSD-FHLIZLRMSA-N 479.647 0.934 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1835642498 PAMJDQAPAKGWJS-QZTZHPFYSA-N 498.621 0.258 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835677292 LRMIZMUKEPQTBN-JOCHJYFZSA-N 490.517 0.350 30 20 JCED COc1ccc2[nH]cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)c2n1 1835677452 IOVNGAPNUFXJDX-DEOSSOPVSA-N 484.557 0.923 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1835677460 JBGXHOITNLBTAK-FQEVSTJZSA-N 450.927 0.482 30 20 JCED Nc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cs1 1835796001 RJSDWXSLANSLDQ-FRBZJCMESA-N 453.521 0.324 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)CCO2 1836289785 IGIGNOKJKOUDAG-QHCPKHFHSA-N 470.530 0.212 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836375940 VDMYKZYTTVHZGH-UXHICEINSA-N 464.655 0.995 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837020383 LQCPBLZGCLUNIN-XMMPIXPASA-N 476.493 0.750 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837116863 RYEQNHGIIOMZLH-RHSMWYFYSA-N 451.524 0.384 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1=O 1837137521 DYWYFDVVJQZWDO-ZVWIGDQWSA-N 483.525 0.363 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837371082 LTWCKLPWMBQJMC-CVROGOTKSA-N 489.964 0.924 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1837444179 QUYDTRPHCVIJPS-XLKWYTADSA-N 450.927 0.672 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837658802 ZUUVYDZWLGBECD-UUOWRZLLSA-N 476.574 0.316 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838425880 OKDRVAMVEIWOGO-HPARJBSBSA-N 452.471 0.511 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4nc(C)no4)C3)C2)c1 1838581997 ZBNQLHMXZQWBGU-QFIPXVFZSA-N 455.471 0.571 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839036017 MWQKSLQPEQZIHA-XDHUDOTRSA-N 457.502 0.814 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839043850 WRIMZTBPNUMDJL-GCJKJVERSA-N 482.459 0.521 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131120 MMNCZOKYEYVYSB-QFIPXVFZSA-N 486.554 0.773 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1839163722 PTQMNYNFFGDQAD-IECBHUPTSA-N 494.589 0.274 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1839175700 ZMJFXENZHRIROZ-DEOSSOPVSA-N 463.575 0.971 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(O)nc(O)c5)C4)C3)c2c1 1839487939 MQSKSMFWPMSIIZ-QHCPKHFHSA-N 478.465 0.625 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839759314 MGSMRVGLYSHWMU-HRAATJIYSA-N 453.511 0.862 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1839866221 OWSUBBHGFKOFOZ-HXOBKFHXSA-N 482.578 0.568 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1840077762 KNQCQJGUEAAVEK-UGKGYDQZSA-N 473.567 0.313 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)C1 1840147527 WUWXOFILYMCZHY-GNKUFIOOSA-N 495.573 0.951 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C2)C1 1840163804 ZIWVZTAEVBYMLF-CLJNILSWSA-N 499.630 0.786 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)CC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251607 OYWLTNFWHQRDMN-GAJHUEQPSA-N 465.547 0.988 30 20 JCED Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840493358 WPENVKUZJHRQIF-WBFDJEMLSA-N 463.535 0.738 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)cc1OC)CCO2 1840677488 MQQDZNAUVBYLEV-IBLIISRWSA-N 457.527 0.932 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1845130580 LCDDPKHQZDESDT-INIZCTEOSA-N 486.506 0.611 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCCSC 514521640 OGJFIXSUIFZVKA-UHFFFAOYSA-N 475.592 0.700 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 522536139 WVAUAONWECBTNJ-UHFFFAOYSA-N 478.505 0.499 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)c1 550463134 KLTDISYEKMJSAO-UHFFFAOYSA-N 477.608 0.976 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)C1=O 623209532 MUCDZYHGDPPBDI-OAHLLOKOSA-N 452.471 0.919 30 20 JCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C3\CCCN3C)c1)CC2 727231671 RRXYYDPHCTXFSQ-OCDBCJEZSA-N 459.532 0.469 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 729012049 JMSOIMUMUQYRSB-UHFFFAOYSA-N 458.452 0.661 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CCS(C)(=O)=O 731204596 NQNPVONDUXJJHD-UHFFFAOYSA-N 451.595 0.384 30 20 JCED C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c1 916674275 XGXPYELSQLNORK-GOSISDBHSA-N 490.563 0.894 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 920845330 RBVRSVSYPKHTLH-UHFFFAOYSA-N 471.539 0.426 30 20 JCED Cn1cc([C@@H]2[C@@H](CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC(=O)N2C(C)(C)C)cn1 1131128456 JYFWBGOYRWPCNT-VLIAUNLRSA-N 472.571 0.963 30 20 JCED CCN1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1502282179 TYGQIRJZOCXATP-PKOBYXMFSA-N 487.634 0.966 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1502469858 WPQOIQJRDXPREH-SFHVURJKSA-N 457.560 0.861 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1503839879 RCWAIAUSBXTXQE-IBGZPJMESA-N 489.602 0.436 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1508277241 OBVPZZOSKHEWJO-UHFFFAOYSA-N 480.573 0.452 30 20 JCED COCCN1C[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1519193947 VSWLJUMRIOAJOL-YCRPNKLZSA-N 456.482 0.862 30 20 JCED CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1613442459 RXCGYDBMQWHIPB-CLOONOSVSA-N 480.617 0.920 30 20 JCED CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1691099352 WTBBOTBIYDRLBR-NRFANRHFSA-N 459.576 0.718 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1696502960 YNNFYQZVDRWOJR-HNNXBMFYSA-N 450.521 0.630 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCOCC1 1706075819 SZIXNQUHXAYMPL-DLBZAZTESA-N 469.612 0.318 30 20 JCED C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722554782 MPQILNOUFVMZTF-UHFFFAOYSA-N 457.926 0.987 30 20 JCED CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1723732334 VXHGTTGLJOWFJU-QHCPKHFHSA-N 488.614 0.913 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1729370239 ZEGWTQZUBARCSP-IAGOWNOFSA-N 479.584 0.787 30 20 JCED CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1750989840 MMTUQPHFHVWLKT-UHFFFAOYSA-N 475.575 0.725 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(N(C)C)CCCC1 1751229415 OOCLGXRUFHGBFB-AEFFLSMTSA-N 464.640 0.939 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)CC2)CC1 1779104729 GBIWCDHJITXTRQ-VGWIDUNESA-N 463.579 0.125 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](COC)NC(C)=O)C3)C2)c(O)n1 1779312249 XPHOPGKMPQWQMU-WMZHIEFXSA-N 460.531 0.500 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779417426 BRDZIDPQMZVHJV-FGCOXFRFSA-N 472.542 0.102 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)c1cc(=O)nc2cccnn12 1780039796 IQCKGZZWJSNKQV-CJFMBICVSA-N 493.564 0.916 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4cc(C#N)c[nH]4)C3)CC2)CC1 1780181034 MBUDQVATZNEMQE-NFBKMPQASA-N 454.575 0.794 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)=NO2)C1 1783429558 NFKPQBSUSFOKIY-DHIUTWEWSA-N 490.513 0.060 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(Br)ccc1[N+](=O)[O-])CCO2 1783563376 PZCNXSQMVFJTRE-GOSISDBHSA-N 466.244 0.889 30 20 JCED CCN1CCN(c2ccc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cc2)CC1 1783568307 SEHCPAJZXSTHFU-DEOSSOPVSA-N 454.527 0.360 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1783897678 MCBIVJGVQCBCQO-LATRNWQMSA-N 457.593 0.895 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1783918591 IVSWVPCZZMRWRZ-JBACZVJFSA-N 494.013 0.402 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784580993 WOUCCNMIQBOVAA-ATIWLJMLSA-N 480.562 0.934 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1785308673 MCNOFAJMVVTONW-YGKZAACZSA-N 464.563 0.812 30 20 JCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4C(=O)Cc5ccccc5C4=O)C[C@@H]32)CC1 1786693152 DJYHOIYJPHGOSG-IHPCNDPISA-N 464.522 0.885 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787500708 RDCGBLBJPNFZIV-PLZKBRGSSA-N 453.565 0.569 30 20 JCED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21)c1ccccc1 1788706551 KLLOBQLEMOXHFR-BLXXFGQISA-N 469.582 0.814 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789707581 BWMWFQFCAPZWAN-LAQRGFTBSA-N 477.587 0.672 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1792257007 PQTONZFAINJBTK-LEAZDLGRSA-N 499.568 0.916 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1793597755 WPPKVRXEQFLSRG-JTJHWIPRSA-N 479.622 0.293 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)nc1 1794427093 VZCDVTBIOPKMBB-GBFHVWRSSA-N 460.512 0.400 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(O)nn2)N(C(=O)OC(C)(C)C)C1 1794567391 GNZOVDCNXKFSQY-HIRMHNASSA-N 473.530 0.951 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)CC2=O)c1 1795409874 STEDPRNYSKASRI-PZTGFMGMSA-N 452.511 0.941 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)cc1 1795410037 XTIOXLZADYPSOB-BMFAXAFESA-N 460.556 0.555 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CNCP(=O)(O)O)c(C(F)(F)F)n1 1795963806 INZGCMWCTMJCJU-CLLJXQQHSA-N 475.364 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1796333060 KIGMAMFZLPGAFR-AXBMQTGBSA-N 476.574 0.853 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1F)C2 1797669308 OEKZEGDPQLIMKK-UCIFAOBLSA-N 498.552 0.740 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1797837727 KHLWKAXHSHRNCG-INWKQXHISA-N 489.492 0.486 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2)n(C)c1=O 1799664827 UDLOAOQDGFMQOV-BCDXTJNWSA-N 475.509 0.257 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)C2 1800985820 PFVWGQGAGFLYOF-NQNKBUKLSA-N 457.593 0.920 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)n2cncn2)C3)N(C(=O)OC(C)(C)C)C1 1801103680 WHGRMSXDOURXNA-OYSTVDSJSA-N 474.562 0.994 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2)NC(=O)OC(C)(C)C 1801928033 GFUPASJRBZPKSD-PHSQPZKOSA-N 481.594 0.028 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1802022291 NUJCUSLGPPEPRU-VPTLXERWSA-N 483.550 0.281 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1802150927 QRXBDMRVRCJLSS-UKBAYJJMSA-N 497.589 0.750 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804198672 QCYMSJZWZARFAB-KNQAVFIVSA-N 492.598 0.327 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 1828806195 MLLWVRNMKKEJBQ-DEOSSOPVSA-N 467.526 0.975 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCN2C(=O)OCc2ccccc2)C1 1828914629 CJRBYCOFWYQHBI-NYUJMHJJSA-N 496.564 0.755 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1829267311 TXBPUAORVLYDJZ-UUOWRZLLSA-N 469.542 0.779 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3CC(O)C3)C2)C1 1829330759 QERSLADSGVMQBB-RGELYXPASA-N 469.494 0.297 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)cc1 1829630033 OBNLVRVQLFGLEP-DEOSSOPVSA-N 450.495 0.894 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1829770558 YAMBXBQQPKWBQW-SOFSKSBKSA-N 484.509 0.036 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1829771579 WKFWJTCZHOMBTQ-XBKFQHLESA-N 461.490 0.519 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1831215911 BMVPKUBFIYZFDY-GOSISDBHSA-N 484.294 0.498 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831277175 ZIQSKHJZUUTYEK-SBUREZEXSA-N 482.578 0.438 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831695159 YAGJVXUYJSFDFU-XMMPIXPASA-N 474.533 0.859 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1832454434 NXVGAFFCZNDTJH-IVZQSRNASA-N 478.571 0.368 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833032964 DYNNOEYKVLPRKV-HRAATJIYSA-N 466.560 0.735 30 20 JCED CN(CC(=O)N1CCC(N2CCC(NC(=O)CCc3ccc(C#N)cc3)CC2)CC1)C(=O)C(=O)O 1833042013 OMSNKQSWFALTBT-UHFFFAOYSA-N 483.569 0.605 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CC2)CC1 1833467772 ZCQCXOKFMLBBNI-KRWDZBQOSA-N 468.558 0.555 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CNCP(=O)(O)O)CC3)CC2)c1 1834666542 QKFCWOOPCZZLAN-UHFFFAOYSA-N 493.501 0.477 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)=O)CCO2)NC(=O)OC(C)(C)C 1834726736 ZBICCSLIEYPFTK-HTAPYJJXSA-N 453.536 0.891 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835114573 OUYKRAIYLYRBLN-KXBFYZLASA-N 493.630 0.870 30 20 JCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CS(=O)(=O)N4CCCC4)CC3)CC2)CCC1 1835116227 BHBYFKGKRLCNQJ-UHFFFAOYSA-N 465.620 0.677 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](OC)c1ccccc1)CCO2 1835278489 IYMLREKDQGWLNW-RTEXXJMJSA-N 457.527 0.689 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)C[C@H]1CO2 1835358892 MEXLWLJKQWLIJZ-RTFZILSDSA-N 478.546 0.525 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835494026 BXMLMZNAXMFCIZ-XMMPIXPASA-N 481.557 0.619 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS[C@@H]3CCCCO3)C2)C1 1835677798 OKHSQUSVRRETNQ-DENIHFKCSA-N 468.620 0.984 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835753059 APUJPNZYRCXEHG-OAQYLSRUSA-N 478.590 0.321 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnncc3C(=O)O)CC2)CC1 1835917707 KHYMKVSZLBIFHU-ARJAWSKDSA-N 470.530 0.218 30 20 JCED Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1836066437 VCYBWSNDVGGZTL-HSZRJFAPSA-N 453.499 0.370 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)c1 1836781299 RESLZXPYJPLURP-XMMPIXPASA-N 478.509 0.272 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn4cccnc24)CCO3)cc1 1836842824 BXKDPUUNJKAGLN-XMMPIXPASA-N 460.494 0.914 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1837396268 FERTYTBVNFHISA-FOIQADDNSA-N 485.379 0.826 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1837398620 GJXRDNBBXMTWAH-KOSHJBKYSA-N 472.542 0.922 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1837610752 YXKPBBJLTDRUFD-MGPUTAFESA-N 467.473 0.263 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/C(=O)NCc4ccco4)CCO3)C2)CCC1 1837641050 WVESNHJRWZQSKI-NVIZVJJSSA-N 456.499 0.602 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5ncccn45)C3)C2)c(C#N)c1 1839132253 AMKSDBMDHMXDBA-RUZDIDTESA-N 490.520 0.922 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1839175096 OZDLYCLGXZZSFO-VGOFRKELSA-N 461.519 0.243 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)C1 1839189680 YZGWGFVVPQQZJZ-MBSDFSHPSA-N 459.499 0.940 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)ccc1Br 1839401702 WLHMLLAFJGGRGT-KKSFZXQISA-N 491.342 0.527 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419743 SSLZOABHKGIWFX-BTYIYWSLSA-N 482.534 0.095 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)c1 1839419804 VMCXVGJNNHHFFG-XMMPIXPASA-N 483.500 0.916 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1839739188 UIVDZMDASHRZQG-VNBZBWLYSA-N 462.494 0.918 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839866346 WSVIWGRKRKJPFO-UZFJHSOTSA-N 480.562 0.178 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(OC)cc4C#N)C3)C2)CC1 1839898382 WUZLFKLYMHTCQD-QHCPKHFHSA-N 471.510 0.519 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cc1F)CCO2 1839977662 ODVSUDQDFICYRM-IYZQMXKPSA-N 463.481 0.822 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839988385 LSMRAZJDOZTQLT-IIBYNOLFSA-N 456.540 0.768 30 20 JCED C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1840027238 LWVWJDJQBRSDED-BFUOFWGJSA-N 452.305 0.772 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1840088305 XPPOFTLNFIBIFS-JLHGSKIFSA-N 453.536 0.394 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1)c1ccc(F)cc1 1840162675 FCTMGFHHIBDXSZ-DHUIEDIVSA-N 453.536 0.778 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1)c1ccc(O)cc1 1840322580 LXMYPEHGLOULQE-DVECYGJZSA-N 473.526 0.702 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1)NC(=O)OC(C)(C)C 1840795943 LBQZBQKQZSTFIN-NXMSCROESA-N 494.589 0.581 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc(C)c(O)nc4=O)CCO3)C2)c1 1840808427 XJFJZBMMMICBND-XMMPIXPASA-N 481.509 0.208 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840844116 DISBBEXFTZOVIZ-XZWCOCNFSA-N 491.585 0.738 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1840912760 PMKAWUSJPMNOIS-UZFJHSOTSA-N 475.546 0.949 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1845199537 FAZOQSJNLXWAKD-HNNXBMFYSA-N 474.495 0.774 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847057195 QRRYGPKEMQCQGV-CQSZACIVSA-N 480.612 0.967 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847090101 UYEXPLBVZKQAPG-GJZGRUSLSA-N 452.552 0.532 30 20 JCED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cscn3)c2=O)c1 497554810 LMAPKECMIFZUQI-UHFFFAOYSA-N 481.559 0.676 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N(C)CCC#N 500022509 NSJGYISZLCVHRH-UHFFFAOYSA-N 470.573 0.760 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1cccs1 502048784 LTQICCPACXBCSI-UHFFFAOYSA-N 457.581 0.799 30 20 JCED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccnn3C)c2=O)c1 502058243 PDVHHMUCIFQNLS-UHFFFAOYSA-N 464.551 0.866 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N(CC#N)CC#N 503656093 QDVDQOCAYFHMAP-UHFFFAOYSA-N 481.556 0.264 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(CCC)cc3)CC2)C1=O 504743324 VIZDPLCRIWVSBZ-UHFFFAOYSA-N 462.528 0.449 30 20 JCED CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)CC1 517836960 BHTXLNCNPHOAIK-UHFFFAOYSA-N 461.526 0.628 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)s1 520894965 VPHMNEZEMGBMOT-UHFFFAOYSA-N 468.626 0.111 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(C(=O)OC)cc3)c2=O)cn1 523579179 UYDLQPUUSDWBPL-UHFFFAOYSA-N 493.545 0.264 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1 556482350 MYQHJDYXHMBLSK-UHFFFAOYSA-N 481.534 0.922 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(=O)N(C)C 604472852 KXGMZWYATRDDGY-UHFFFAOYSA-N 456.568 0.814 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828719 JHMQLZUTLFUJSN-UHFFFAOYSA-N 498.511 0.932 30 20 JCED Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1C 727013330 KXLJBNLANHUEOP-UHFFFAOYSA-N 472.445 0.737 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(Cl)c2)c1=O 729671461 NVFJZPFWIUJACD-UHFFFAOYSA-N 465.984 0.733 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCS(C)(=O)=O 729672782 IAVXITSLQMVGCX-UHFFFAOYSA-N 487.603 0.473 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCNC(=O)c2ccsc2)CC1 749966167 DTOLWHURWNWCBJ-UHFFFAOYSA-N 490.563 0.816 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)c1=O 836493720 NOEVGSZGYPTUEV-UHFFFAOYSA-N 495.540 0.378 30 20 JCED CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918261140 OYVMOIUBRXVMLY-MQPOEVEDSA-N 478.619 0.580 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 918823604 JHLZDEYBVHKQSA-GOSISDBHSA-N 490.582 0.764 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)c1 927574042 XSMFYMMZYCWDML-WBVHZDCISA-N 456.542 0.083 30 20 JCED CCCNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1313481051 JGOMPXGXKHQTIZ-KRWDZBQOSA-N 468.566 0.386 30 20 JCED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)c(C)n3)CC2)c1 1317861603 JVSIXEKLMNBBKY-UHFFFAOYSA-N 488.522 0.969 30 20 JCED CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1554510059 WUOJIAKIVBTIAU-UHFFFAOYSA-N 497.629 0.883 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 1631206393 MRBZWURNFGGFAA-CQSZACIVSA-N 451.888 1.000 30 20 JCED Cc1nccnc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1742642241 HPAUTKACHQTSEE-RDJZCZTQSA-N 459.580 0.406 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1744751346 OLBLERFXKKTGRW-SFHVURJKSA-N 489.627 0.910 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CCO1 1760668786 QWQNCTTZWMTVDO-UWJYYQICSA-N 453.547 0.879 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)(F)F)C1 1761545729 XKSRTKZRPAHEHM-CXAGYDPISA-N 493.512 0.420 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778866590 HCQXUGVPTAICJW-OFNKIYASSA-N 455.515 0.833 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCC3)C1 1780054017 CLFAZOIZVDVHBA-VGOFRKELSA-N 457.439 0.745 30 20 JCED CC(=O)Oc1ccc(Br)cc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1780095563 RYSYYKCQEHVVGE-FQEVSTJZSA-N 479.283 0.906 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781335974 CUGNPEJQEAJELD-HYFFOGBASA-N 455.552 0.683 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1781861821 VNEIWTBTYDHVRT-JTSKRJEESA-N 462.478 0.984 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)c2n1 1782884757 ABKSEHPQRTUOEA-QFIPXVFZSA-N 484.517 0.260 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783164872 GCBWQQTUBPXNIU-GGUMNFRJSA-N 476.574 0.649 30 20 JCED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C34CN(C(=O)OC(C)(C)C)C4)C2)C1 1783474461 FCJPVBSFPCAFJA-VGOFRKELSA-N 497.614 0.817 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC)C[C@@H]21 1783533325 VESOOXXUDGNAQR-VSJRIJOYSA-N 459.543 0.580 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566686 YKKZKNQLMYAAEJ-LOSJGSFVSA-N 485.537 0.170 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783682692 NWXMEPLDCAKSJG-YVSFHVDLSA-N 452.552 0.792 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1783897681 MCBIVJGVQCBCQO-PBFVBANWSA-N 457.593 0.895 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)C1 1784015849 VPHPTSILXYQBIW-RPWUZVMVSA-N 493.605 0.470 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1784371247 RCPSPMLGISRBFQ-YKCLYDSDSA-N 485.566 0.787 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C[C@@H]21 1784501500 UEIZOBRBSLKXBK-SPOLIRPYSA-N 468.595 0.799 30 20 JCED CS(=O)(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1784741772 HGHXONIYUWDOIC-SFHVURJKSA-N 474.461 0.850 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785306769 NQJBFQNOOBOVHO-BTYIYWSLSA-N 453.540 0.344 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785367537 VLAWJRJJXNOKTP-ZHRRBRCNSA-N 450.536 0.786 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnnn4C)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1785468535 VFSCTBWNWIFWLV-DWRORGKVSA-N 474.562 0.974 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1785514669 IIESUUAWAFXKEN-HRAATJIYSA-N 452.508 0.576 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1785574969 WFSTVMQQDSCMIN-QMHKHESXSA-N 474.514 0.853 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnn3)[C@H]2C1 1787126932 SVKMWOSNNXZPSX-SOWBTEIWSA-N 474.562 0.727 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789926994 NBJOCHMIBXTIGE-SWLRZZBJSA-N 494.589 0.100 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)[C@H]2C1 1790685994 BQYDSKIUYYARHP-RVDAZCDBSA-N 486.569 0.640 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3c4[nH]cnc4CCN3C(=O)OC(C)(C)C)C[C@@H]21 1790793389 CEMGTZGRJSCATF-MZRZTIOWSA-N 457.531 0.857 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791076809 LZUUWBBHZZLAAD-DSFVOBFGSA-N 463.531 0.701 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1792567574 UOOFIZRHWIESAK-RHXYOOSCSA-N 464.563 0.759 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)CC1 1792628963 AIYXHAIOUKOJFK-BJWYYQGGSA-N 464.563 0.888 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)[C@H](O)C1 1792629771 SSWNZJZPSZCJMF-CWQOZTLDSA-N 464.563 0.744 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C2 1793347902 OAGBTNLNPHMUJS-OPOADAIRSA-N 498.001 0.636 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)N1CCOCC1)C2 1793832715 XYOAOVYUVUVZDH-VPMQLGLMSA-N 466.579 0.745 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(Cc2ccccn2)CC1 1794158318 RWTHROVJBAXZKA-GWKZBSJQSA-N 481.597 0.742 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)NC(=O)CC2 1796104203 MKLJSFURBXXEHT-RHNHGDFNSA-N 453.499 0.028 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](CC)NC(N)=O)N(C(=O)OC(C)(C)C)C1 1796324001 LGPZXKKPOQPVIW-ADHGMGHFSA-N 479.578 0.589 30 20 JCED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)cn2[nH]cnc(=O)c12 1798460534 JSZBWDXBPVBZBC-RMFSNUHRSA-N 460.494 0.649 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O)NC(=O)OC(C)(C)C 1800199862 KXNAISYINUEOAS-SUWCGCSTSA-N 489.573 0.692 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCN(C(=O)OC(C)(C)C)C3)C2 1800452277 YNBAKSDNOACXPQ-CWPLJXCYSA-N 457.531 0.860 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)[C@H]2C1 1800739591 DNZUZCLPEBMPSE-XGZVRMHOSA-N 462.547 0.762 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2F)[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800768944 FZOGVVCXIWKQSI-PQRZEBCXSA-N 479.505 0.400 30 20 JCED CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800776106 RXUJBBLDZCWXRQ-YYAJDYIMSA-N 481.546 0.372 30 20 JCED Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1I 1800779004 ZYTAHVIGTHMMJV-ZSBFGKGUSA-N 482.274 0.891 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801030965 AKRFTXHCKYJCTL-FQLMCAECSA-N 492.495 0.724 30 20 JCED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(CC#N)cc2)C3)c(=O)nc1O 1801971643 XIALZPIGLBECGP-OPVJXMOQSA-N 451.483 0.227 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CN4C(=O)CNC4=O)[C@@H]3c3cccnc3)c2c1 1804094044 BRJVHWGQJWBTAY-ZHRRBRCNSA-N 486.492 0.701 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1804356469 ZBNONYCLGPUOQX-PBEJRMEISA-N 476.493 0.880 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1814976375 JYIHVVHBGBYJEM-LBPRGKRZSA-N 470.559 0.591 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)NC(=O)OC(C)(C)C)sc2C1 1823563828 KHHSSRZRBYLFOE-QFSBIZTOSA-N 452.533 0.937 30 20 JCED O=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)N1 1825073725 ASOJNGJMRLEAFG-RTBURBONSA-N 458.559 0.903 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC(=O)O)CC2)cn1 1827379344 NUKVFKFPKDIBEX-LJQANCHMSA-N 461.540 0.948 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ncn(C)n3)CCN2C(=O)OCc2ccccc2)C1 1828667189 DVJORROZMWWXFG-UQBPGWFLSA-N 494.552 0.919 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828806335 QDCNXONUXJAIFW-OAQYLSRUSA-N 452.475 0.039 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828970643 MSLOMEPRXMBAJZ-DQZIINAFSA-N 498.646 0.866 30 20 JCED CN(C)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332636 SONHONHHVGIIGP-QHCPKHFHSA-N 456.499 0.088 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1829335090 UUBSWRWTVGHYAY-RUZDIDTESA-N 492.488 0.941 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN(CC)CC)C2)C1 1829771235 NBDZKAPAWXCBOE-BKRNEDDOSA-N 450.580 0.279 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829947394 YOIWUDKBZUBZME-NXMSCROESA-N 494.589 0.438 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1 1830777485 JEJFTUWUIMMCJN-FDDCHVKYSA-N 492.598 0.668 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1831394132 WXTMSQXTBURNSU-SZNDQCEHSA-N 461.906 0.720 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c(O)cc3O)C2)C1 1831398374 AGXMVFFNEGWWKP-SPLOXXLWSA-N 452.891 0.860 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)C2)C1 1831402784 RGXMIIXSKUAFJI-IUKKYPGJSA-N 499.630 0.737 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1831424428 IVNATYSAMGSZIK-PNCHPQGNSA-N 484.594 0.276 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2)c1ccc(O)cc1 1831615554 JTPDXRCFCKKJMO-BSWQBHCVSA-N 471.554 0.857 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CC2)CC1 1833212495 ICLLUWMFWMCIDM-REHUZNOOSA-N 498.624 0.776 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833537794 IMDVSXDHSFCMEI-YCRPNKLZSA-N 479.559 0.525 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)CCO2 1833566624 MMWAVNFOYOUMGW-QHCPKHFHSA-N 469.473 0.414 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2)c1ccc(O)cc1 1833885849 XVHNGALLGMSGKN-YADARESESA-N 467.526 0.788 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1)[C@@H]1SC(=N)NC1=O 1834715264 MFVUGALRSLKRIH-QAPCUYQASA-N 491.662 0.642 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1835714513 PQAUYIZSLZFKOT-LPHOPBHVSA-N 457.637 0.812 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836393071 KWKJUTBRAOBFCB-JOCHJYFZSA-N 455.519 0.081 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CCO2)C1 1836685877 VLPBCQHFFUOQGI-VIICAESSSA-N 487.597 0.935 30 20 JCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1836861927 HZMSXACLKKCVEJ-UHFFFAOYSA-N 485.647 0.698 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)cn2[nH]cnc(=O)c12 1838471154 ISNSSIPIQBADOE-DEOSSOPVSA-N 494.483 0.726 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CNC(C)=O)C3)C2)c1 1838579131 CMFRMVJKLLNOOC-XMMPIXPASA-N 472.542 0.799 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049013 DMVNPKDSBJZPOQ-VGOFRKELSA-N 458.519 0.529 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1839117680 BEWCJKPCWVRUDB-PVHRDILVSA-N 478.590 0.990 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)c(C#N)c1 1839132307 CPPVWBAIKABZMW-RDPSFJRHSA-N 470.526 0.187 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1839173836 OFOYSCHWXINFJU-JOCHJYFZSA-N 476.486 0.878 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)no1 1839421045 SDLYHYIVNGVEFF-HSZRJFAPSA-N 485.472 0.494 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C3)C2)c(Cl)c1 1839423520 HIJZSKSTGDPYDT-JOCHJYFZSA-N 497.899 0.326 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1839453432 KOSNTNKGEYINFX-QHCPKHFHSA-N 451.483 0.194 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cncc(O)c5)C4)C3)c2c1 1839489415 UDIQQFWHQXBNRN-QHCPKHFHSA-N 462.466 0.919 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1)C(F)(F)F 1839893201 RQBSOFGPESHUEE-NRFANRHFSA-N 482.459 0.915 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC=CC[C@H]3C(=O)OC)CCO2)C1 1840142818 ZERYTXUMSQVMGL-YDLHNXBPSA-N 464.559 0.771 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1)c1ccc(O)cc1 1840220052 VHLVYHIKVUJGMK-YADARESESA-N 457.527 0.434 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1)NC(=O)OC(C)(C)C 1840795565 PBYQJNNEQOWVBN-PNLZDCPESA-N 455.552 0.683 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1840906949 MUNQMEUYJQCNBX-DVECYGJZSA-N 488.541 0.774 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1840908109 AMQFHNHWFMNCQZ-RIKPSNTJSA-N 479.530 0.390 30 20 JCED CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)(n2cccn2)CC1 1846652184 WZQIOMXJAFXWFV-UHFFFAOYSA-N 485.541 0.901 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC(F)F)cc1 502049778 NCGAHMQJYLHVJI-ZDUSSCGKSA-N 489.504 0.888 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C(=O)COC)CC3)nnc12 510128154 CRWFZEMIDPUSMS-UHFFFAOYSA-N 456.528 0.640 30 20 JCED C=CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c(OC)c1 514357915 APYPXSUVWTXGTC-HXUWFJFHSA-N 468.620 0.273 30 20 JCED C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)[C@H]1CCS(=O)(=O)C1 520421436 CLOJFNDBIBPVCG-SFHVURJKSA-N 469.585 0.355 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCNS(C)(=O)=O 589161910 ZVUNIUVDENPIBD-GFCCVEGCSA-N 453.611 0.947 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)CC1 603436520 WLAJPIYULCPJBQ-UHFFFAOYSA-N 475.508 0.608 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1cccc(NC(C)=O)c1 603495480 JKTREPCRZGTEQW-UHFFFAOYSA-N 477.546 0.908 30 20 JCED CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1C 728557838 SQBDOEQBKQKHDJ-UHFFFAOYSA-N 469.611 0.634 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1C 729670925 BOHPLBFVNUPFJQ-UHFFFAOYSA-N 475.592 0.397 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCS(C)(=O)=O 729673541 UPJWJKNPENZEBN-UHFFFAOYSA-N 477.608 0.309 30 20 JCED C=CCn1c(S)nnc1-c1sc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)nc1C 915057443 ANFQZABBXKRTCD-UHFFFAOYSA-N 454.563 0.835 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(C(F)(F)F)c2)c1=O 916199628 JHRMKBCMDCOGKG-UHFFFAOYSA-N 467.469 0.937 30 20 JCED CCN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1313586998 ZZJNUDYTAQLXOT-QGZVFWFLSA-N 466.589 0.722 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)C1 1519530640 PCKFXAPPRKKTFM-KUHUBIRLSA-N 462.511 0.649 30 20 JCED C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539603440 PYQQSQQJAANCSP-UHFFFAOYSA-N 473.339 0.508 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1617387105 NWNQXAGUYQKCEG-OAHLLOKOSA-N 450.521 0.630 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1692786536 VHGGNPZUBKUSSR-CZUORRHYSA-N 462.573 0.688 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 1706050669 YZVQWPGPVLTGML-ICSRJNTNSA-N 487.586 0.440 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CCN1S(C)(=O)=O 1712846302 YXADXUVFGUQGBB-INIZCTEOSA-N 460.560 0.828 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1723615323 AKWKPNLIIWVWED-LJQANCHMSA-N 457.627 0.619 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCCO[C@H](C)C1 1743335264 KQWVPTUBQGFVHC-HBFSDRIKSA-N 494.666 0.566 30 20 JCED CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1767427535 JIJORXNDCXQJJF-UHFFFAOYSA-N 474.465 0.888 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780691406 CKKOHCMPIPQGCV-JPYJTQIMSA-N 458.515 0.887 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1781167802 JUQRBKWOLSJHOX-VGSWGCGISA-N 485.603 0.558 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781173655 UPWBGFXSJIUXLX-REWPJTCUSA-N 458.515 0.090 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c(I)ccnc1F)CCO2 1783561912 PKLFVPBFLMTOOC-KRWDZBQOSA-N 487.225 0.357 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3nnc(Br)n3c1)CCO2 1783562109 CFFRVJALCKXMSK-SFHVURJKSA-N 462.260 0.023 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783564703 CPXJEOULCRGDDL-GMWOSMDTSA-N 461.515 0.551 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@]13CCN(C(=O)OCc1ccccc1)C3)CCO2 1783567003 CMRYIHHRBIWGIZ-BQQUOAEZSA-N 495.532 0.953 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](COC)NC(C)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1784093388 KWHTVIVJNROPCD-YDIMBITNSA-N 494.589 0.533 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21 1784784389 JMBKVUCPIOKCRZ-QAETUUGQSA-N 452.552 0.701 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnn3C)[C@H]2C1 1786079446 IZZVDSYYRLVASU-BMFAXAFESA-N 459.547 0.930 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21 1788573386 VPTMJGBNBGMWDV-LTFXXXRZSA-N 454.520 0.034 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906293 JMTMSCIUFOICPD-CQEAQJRCSA-N 480.562 0.547 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789927841 BCFKXUIRYANZBA-VMXHOPILSA-N 469.579 0.833 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)COc3ccc4scnc4c3)[C@H]2C1 1790660876 SLEXGKKBCQMBTL-IEZWGBDMSA-N 470.551 0.794 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1792268143 YHEZXFVGJZUDKZ-ZEBXBMNNSA-N 460.535 0.867 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)C2 1792484628 RHLIQMJZQFNPJG-BQCISNNHSA-N 494.548 0.511 30 20 JCED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)cc1 1794112389 SXCUMQNTBWUWDE-DCXXXQMHSA-N 477.521 0.962 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N)NC(=O)OC(C)(C)C 1795581792 JVVFDHUQPSLAJC-CLWJZODNSA-N 478.594 0.275 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCCC2=O)C3)c(C(F)(F)F)n1 1795994910 KQNFVGRVUQRQEU-IVWMJMPLSA-N 465.432 0.798 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn(-c2ccccc2)c2c1COC2 1796099404 YMQVULUMQHOXSD-USGNIVHTSA-N 450.451 0.194 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc(CO)[nH]c2c1 1796869028 RIQDEOVEXORKRD-JLRLZTEKSA-N 453.499 0.117 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)OCC(F)(F)C1 1799144510 KPAKZGATMAHLAO-IVSAIRAKSA-N 472.489 0.761 30 20 JCED COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1799383159 QPPJUMAKYYCISN-KEZQHZCBSA-N 487.594 0.463 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnn4c3OCCC4)c2c1 1799936085 RGDIKWNZMRVZEE-CCWDJLKJSA-N 461.482 0.931 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802004528 BFULPTHZRVRTAR-BMNAXWPESA-N 461.515 0.471 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCC)NC(C)=O)C2 1802126273 JPRIWZAJWAVHKG-YHDCXSKOSA-N 478.590 0.797 30 20 JCED C=CCSCC(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804170954 QIBPINYHNCEYFN-NQIIRXRSSA-N 466.629 0.737 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807025791 MFBPGZDNGMWKEH-QGPMSJSTSA-N 455.452 0.613 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1807145261 INTNGPLWROZTCS-MAUKXSAKSA-N 453.503 0.884 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1807145303 IWZLVOXXMKZQQO-OXQOHEQNSA-N 499.597 0.835 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C/N=C/c3ccco3)[C@@H]2c2cccnc2)CC1 1810393713 VXUZBFSIRZSZSU-ZJGYYHQASA-N 480.569 0.964 30 20 JCED C=C(C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1)C(F)(F)F 1812676850 IJZOFNOHGLUIIU-HIFRSBDPSA-N 450.354 0.931 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cccc(N3CCOCC3)n2)[C@@H]1c1cccnc1 1812878497 XZCDFZJRKMTBQK-WZONZLPQSA-N 463.494 0.721 30 20 JCED C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)[nH]n1 1815200240 NRNWSXAJHIZMQM-NVXWUHKLSA-N 451.549 0.866 30 20 JCED C=CCC(F)(F)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816674358 PUQLOKRNORVWHQ-MRVPVSSYSA-N 450.431 0.706 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccncc1=O)CC2 1819907535 PRHSBQBHQVDFIN-VKZZRYIKSA-N 460.516 0.841 30 20 JCED Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC3)c(=O)nc1O 1827990376 RNLYALKTGOUDJO-ZDUSSCGKSA-N 473.559 0.608 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063258 LSZHZVTZAPHQBD-HJPURHCSSA-N 496.561 0.449 30 20 JCED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCOC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1830403680 WLGLEYLZQASFTB-VWLOTQADSA-N 450.491 0.467 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830606849 KPPVNCJZJLTPBS-UZUQRXQVSA-N 463.531 0.339 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1830641084 OQSWTMDCZFUOLX-MHECFPHRSA-N 471.558 0.820 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)C1 1830720169 URKHOFAQOXDJFK-CEYNDMKZSA-N 485.537 0.983 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831188763 VMBJEQLWNNAROT-NPMXOYFQSA-N 468.514 0.419 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1831402437 YUMBYERPTGVQRO-ZSVMJGIMSA-N 491.585 0.738 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1831435057 JYQAUOSBJLFYRD-DKLXNKCPSA-N 497.589 0.718 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831666349 XIEIMMRBSCPEDN-LLBVYWAGSA-N 469.538 0.874 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1831722774 AFHIEHHGNPKOTO-HCYUJWNOSA-N 491.585 0.881 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)CCO2)C1 1832427552 PJLOIUDZCPFICP-KSFYIVLOSA-N 463.462 0.771 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)c1ccc[nH]1)CCO2 1832872858 IFTPDKVRKTVICA-HSZRJFAPSA-N 462.547 0.574 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833483325 YYVUKUKJSAXGBW-WPWRZWQBSA-N 486.635 0.768 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1833564244 VLYQPZFBCOATSM-VWLOTQADSA-N 497.573 0.748 30 20 JCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833704979 SDPBQZLLXQRRGH-UHFFFAOYSA-N 472.677 0.208 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)no3)CCO2)C1 1834230543 NFYSBFJOVTZAOU-HXOBKFHXSA-N 476.530 0.970 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)CS(=O)(=O)N4CCCC4)CC3)CC2)c1 1835116293 DKJUYDYVJIOALA-UHFFFAOYSA-N 476.603 0.497 30 20 JCED CN(CC(=O)N1CCC(N2CCC(NC(=O)/C=C/C(=O)c3cccs3)CC2)CC1)C(=O)C(=O)O 1835120184 ZCRQFDHQWNMYAW-SNAWJCMRSA-N 490.582 0.602 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835312103 JWZZHZWSNRRYMX-HPCCJCSGSA-N 492.573 0.191 30 20 JCED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1835600811 ZPAVLFLTJKGRNM-OWSXEPHWSA-N 458.559 0.939 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1835674766 MDLSYRYWYVIOAJ-HXUWFJFHSA-N 455.462 0.964 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1835682917 YCUISOIYVUADPG-HSZRJFAPSA-N 454.531 0.686 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1)C(=O)O 1835766524 PLGDVZDIIMGSCZ-YADARESESA-N 488.541 0.478 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CNC(C)=O)CC2)CC1 1836530666 FZLCMCLHWRCENH-FQEVSTJZSA-N 477.606 0.611 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)CC1 1837053633 JEZCCADAWGURCF-KRWDZBQOSA-N 459.543 0.864 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1837391746 VJDHZZPBJCKVQA-ZYAFMCSYSA-N 485.581 0.889 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1837445221 KVQGCSLKDLIVEZ-IOCYEQIYSA-N 461.607 0.933 30 20 JCED COc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837488648 NGOWOUHXFMAHGH-XMMPIXPASA-N 457.527 0.859 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837489889 XKYPNLXIEISHGO-XMMPIXPASA-N 467.526 0.498 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837524494 IJLOFIWNRBAFRX-NXWDISQXSA-N 462.503 0.446 30 20 JCED O=C1NCc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)ccc21 1837529432 UNVIXUHTYZVBFV-YGZZXYRMSA-N 486.525 0.529 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837531607 QVBYXZVETUIOPT-ALUBYUQESA-N 475.546 0.747 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837669173 LTYYISOUGXOVMQ-UUOWRZLLSA-N 456.543 0.862 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837733497 AQRJNVMALBKNGB-XMSQKQJNSA-N 478.933 0.433 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Nc4cnccn4)C3)C2)c1 1838582549 SFGPMFXGQWPJEE-MZNJEOGPSA-N 480.525 0.927 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1839109664 PIBIHVOSXLSEGF-JLHGSKIFSA-N 453.536 0.247 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)ccc1Br 1839401290 WQSIDMKTLLRMJV-HXUWFJFHSA-N 490.314 0.267 30 20 JCED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839715985 IKEFCFXIMJYYEZ-HSZRJFAPSA-N 463.498 0.710 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(O)Cn3cc4c(n3)-c3ccccc3CC4)C2)C1 1839810065 BOOFATPAGSSBEG-CLJLJLNGSA-N 478.549 0.489 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1839886977 SQYFEBPVRGUUHR-FHJLPGHOSA-N 495.523 0.834 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)c1 1840713290 AYSDSSRWKQVWPU-GAJHUEQPSA-N 454.531 0.224 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(=O)OC)cc1C)CCO2 1840786200 KBNFEHXSXHDMFQ-UTBBOMKLSA-N 485.537 0.710 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)CCO2 1840900104 IVHQHTXISFOGOF-NSUVWMATSA-N 484.553 0.120 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnco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c1ccccn1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1848240584 ORBLTEFLGAYRRG-BZSNNMDCSA-N 456.499 0.807 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 26069887 ACWVAVAARZXLCK-UHFFFAOYSA-N 465.528 0.884 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 32684294 ARWYYZBSBJDIEB-UHFFFAOYSA-N 454.555 0.431 30 20 JCED N#Cc1cnc2ccccc2c1N1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 501106792 DSVRZFOXCVZKJP-UHFFFAOYSA-N 491.596 0.231 30 20 JCED CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)CC1 516016288 WYFQRHIBVFAEBL-UHFFFAOYSA-N 475.553 0.557 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)cn1 523864049 IRHWXWJYRYBHSL-UHFFFAOYSA-N 482.522 0.679 30 20 JCED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NCCCc3[nH]nc(N)c3C#N)cc2)CC1 609123849 QZNRGJJQHMYVGM-UHFFFAOYSA-N 453.551 0.828 30 20 JCED CCOc1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCCC1 609341861 ARRXBRICSVBLCY-UHFFFAOYSA-N 463.560 0.912 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2C)C1=O 726042548 KGVSBCMEAZROIG-QGZVFWFLSA-N 470.438 0.330 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3c(C)nc(-c4ncccn4)nc3O)CC2)o1 729710297 DJOVVFWIHQXZSO-UHFFFAOYSA-N 478.469 0.550 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1=O 748077898 DTXHKTCSONHWTL-UHFFFAOYSA-N 463.897 0.752 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 748557080 AQXMBJPPTKKCQI-UHFFFAOYSA-N 457.487 0.287 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC[C@@H]3CCCO3)cc2)c(=O)n1CCOC 838280519 PANRUYXGMQWOMO-IBGZPJMESA-N 469.563 0.919 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 895926614 IUVGTHLKFUDXNC-CYBMUJFWSA-N 455.489 0.273 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc1F 914659424 RQJCEMSKXGHXSB-TZMCWYRMSA-N 462.521 0.481 30 20 JCED COc1ccc(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 916176962 KIWMZYCOARLZPX-UHFFFAOYSA-N 479.536 0.635 30 20 JCED CC(=NNC(=S)NCCN1CCOCC1)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 916542073 SAHCXYHRUPETSY-UHFFFAOYSA-N 485.632 0.692 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 916710075 AXHJXJIJDSXTQF-JZJYNLBNSA-N 472.593 0.455 30 20 JCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCS(=O)(=O)CC1 917138910 GPBMPVNEHUUKPO-UHFFFAOYSA-N 456.590 0.132 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)c1 917212784 MOXGBKSZPGAVMT-UHFFFAOYSA-N 466.563 0.945 30 20 JCED Cn1cc(/C=C\C(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(=O)n(C)c1=O 917504081 CVXMPDXVUUALAE-CNZFZVQHSA-N 461.482 0.391 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCCc1ccccc1 1288826097 OOMXNYPVUBOZSV-MGPUTAFESA-N 463.539 0.689 30 20 JCED COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)OC 1301030155 KSUHGPABJJKBRI-SFHVURJKSA-N 464.548 0.472 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1302496485 NSYGWCZRBFWMML-MRXNPFEDSA-N 452.562 0.379 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1303867432 QBKDZOREUXZGOO-WBVHZDCISA-N 461.548 0.276 30 20 JCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)COc1ccc(C#N)c(Br)c1 1350690980 YUNYHUFIUQDVJJ-CYBMUJFWSA-N 458.334 0.851 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1512580748 KVUQAMMDPIRIOJ-JSJNYSNDSA-N 468.580 0.281 30 20 JCED COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1517684173 SFIGOLYVVDJBGA-HXUWFJFHSA-N 481.557 0.892 30 20 JCED CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1541714157 PEKBVPCEPKDZDT-INIZCTEOSA-N 475.575 0.723 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1nnc2n1CCNC2=O 1595979649 JOXYEAHWPBACSL-AWEZNQCLSA-N 459.532 0.133 30 20 JCED CN(C)C(=O)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1617588977 NMYXPQBCTCNPOM-INIZCTEOSA-N 467.596 0.609 30 20 JCED CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCCO1 1637500576 JLZHVPHTLIAQOW-INIZCTEOSA-N 452.533 0.979 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1706865629 BOXIBIAXCPEPTN-LSDHHAIUSA-N 458.610 0.986 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1706891444 VAGLKVMIYQHOID-QFBILLFUSA-N 487.586 0.788 30 20 JCED CN(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1747587355 XOKLNICJAUIOFH-APWZRJJASA-N 485.586 0.164 30 20 JCED CN1C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NCC(F)(F)F)CCN2C1=O 1748051974 KONYDAGMRHSNRW-OAHLLOKOSA-N 492.462 0.963 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1)NC(=O)OC(C)(C)C 1778003472 KWWWPNFFBLATDV-OIMFZILRSA-N 467.611 0.646 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](S)C(C)C)C3)CC1 1778908226 JESFIWLQSIHRPS-SYYKKAFVSA-N 454.637 0.619 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1)c1ccccc1 1779091808 FNDCEWFLENJLDS-QQKQFIJSSA-N 455.555 0.664 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1779201513 RNUWSZPAUGCOLP-DHJUGAMNSA-N 484.513 0.627 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780248875 UXUBTVMMOXXSGI-BXKMTCNYSA-N 487.557 0.910 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1781148576 DGFPBWUTLWDCNW-AOMKIAJQSA-N 465.551 0.492 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1781269667 FSWYKAHITKTTOF-GAJHUEQPSA-N 483.562 0.601 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1781271918 RXJQGLGDYYMPQK-BJKOFHAPSA-N 495.573 0.698 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1781290836 JYOIFWZDWGQESH-ZHRRBRCNSA-N 452.552 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NCc3ccc(OC)cc3)C2)C1 1782780970 NIHLVTKLPWPEDS-YAPAZNOASA-N 498.580 0.780 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1783766313 JVNRSJJYXDYZAZ-JLCFBVMHSA-N 477.518 0.801 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784041463 JSZDPFLGBRDHHS-QZMQVMSPSA-N 464.563 0.812 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785382816 FYTVYORVIAOQKV-XMMPIXPASA-N 475.542 0.837 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c1 1785545315 OOTAUNPRYXMGCN-OAQYLSRUSA-N 474.564 0.871 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(cnn4C)c3OCC)[C@H]2C1 1787245699 PTTRKBPHFWSGJJ-LPWQTFTOSA-N 469.542 0.999 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327601 XJKRRFSKKBMPOK-NUADTHGBSA-N 470.486 0.092 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13C[C@@H]1CN(C(=O)OC(C)(C)C)C3)C2 1793347881 MIJPHLORFUTDPG-ZWCLTMICSA-N 461.559 0.871 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 1793604017 UZLMIHPUXDCSSV-QTMHVTGLSA-N 467.563 0.803 30 20 JCED COc1cc(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)CC2)ncn1 1795409643 KWUHCGDNQANIHX-XEMDLRDOSA-N 454.531 0.595 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](N)c1cccnc1 1795684493 JHGSKZLFVSTYPG-XCRACJGTSA-N 485.585 0.978 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C 1797117502 GZHBXURXRLUSJZ-MUXUUDDTSA-N 494.564 0.782 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(NC(C)=O)cc1 1797231662 DRWDRGPAIDVRHJ-KALPFLKPSA-N 454.527 0.636 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797818058 HIOJITJTPNEISA-ABCGKDBCSA-N 472.542 0.924 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC=O)NC(=O)OC(C)(C)C 1799295302 MMVIWESCQLPTJZ-OGJJZOIMSA-N 452.552 0.570 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1799321352 AIHNIAVEBDZRDQ-FSNPWBFUSA-N 498.577 0.500 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(F)c1I 1799639162 LJARAOVEATUPSS-YQYWCBKUSA-N 486.237 0.722 30 20 JCED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc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c1cccnc1 1802478910 WRGXYPLFGSQKRD-ZRTRKKQLSA-N 452.515 0.554 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1804373433 NCAFEXSQFRWPRT-FZKCQIBNSA-N 461.519 0.093 30 20 JCED COc1ccc(CC(=O)N2CCC3(CCCN(C(=O)C[C@@H]4NC(=O)NC4=O)C3)CC2)c(C#N)c1 1806848176 CBNNGDUYNOPXBI-IBGZPJMESA-N 467.526 0.939 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1811187284 MFKXNBVEBQSPOP-TWPZUGSMSA-N 464.530 0.762 30 20 JCED N#Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)ccc1F 1815066854 PUNUMTUJYSTNHY-DZGCQCFKSA-N 458.519 0.901 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815669461 IRIUYPUMVDVRRP-MRXNPFEDSA-N 465.470 0.904 30 20 JCED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1)[C@@H](O)N1CCOCC1 1819445931 GVCMDQKKBGCWJA-XMSQKQJNSA-N 459.547 0.751 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819885986 DXQAQTRGBUJCMF-OPKGSTJMSA-N 467.548 0.235 30 20 JCED CN1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=N/O[C@H]4CCCCO4)sc3C2)CC1 1819902991 WDUDTMACXOPNGE-UJODVWAPSA-N 464.592 0.832 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)n(C)c1=O 1823376806 WLZGNMZDIHEZRG-HNNXBMFYSA-N 493.528 0.543 30 20 JCED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CC2 1826028439 XTWTYWVRMBLDCD-JULQROHOSA-N 483.641 0.554 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399557 BYHKMWOSJYLOAE-KRWDZBQOSA-N 471.518 0.555 30 20 JCED CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)COC1 1828513909 NVVQFOKIMBSFRU-XMMPIXPASA-N 469.494 0.563 30 20 JCED CN1CCN(CCC(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CC#N)C3)C2)CC1 1828930982 VAJOJMRSIBLWGS-AREMUKBSSA-N 496.612 0.990 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)COCCOCCOCCOC)C3)C2)C1 1829672978 BCKUKHMMWAPLPO-QHCPKHFHSA-N 470.563 0.105 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C(C)=O)CCO2 1831132588 BDUWKDTYPWJLTE-HOYKHHGWSA-N 479.574 0.975 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1831388483 YWXZJAKJHWZQNU-JPYJTQIMSA-N 453.499 0.376 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1831997599 DKFTVUNVYNGWEU-CYFREDJKSA-N 490.557 0.859 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1832462011 DBKMIAGIRDXTAA-WZONZLPQSA-N 499.630 0.998 30 20 JCED Cc1noc(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1832558560 ZZKUOAZBKVYTNZ-UELCCTMMSA-N 464.519 0.819 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833400504 XRFIPPHTKHMRKV-IERDGZPVSA-N 482.559 0.356 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834666102 CRIOTYVRMINYOP-OAHLLOKOSA-N 461.500 0.084 30 20 JCED N#Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)c(C(F)(F)F)n1 1834941806 LFDFESFWXRWOIF-HKUYNNGSSA-N 494.518 0.880 30 20 JCED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835598377 NHRWRFAJYIPJBX-FCORRRHLSA-N 454.531 0.878 30 20 JCED C[C@H]1CCc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)n[nH]c21 1835676949 GLSCBLHNBFMFMT-HJPURHCSSA-N 458.563 0.811 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1835680910 OYFNCRBDBSWQDH-QHCPKHFHSA-N 457.531 0.137 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1 1835713876 RGSAYJZNWFCCQU-LJQANCHMSA-N 459.547 0.933 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)C(=O)O 1835751185 CFNBBEUKHRFSJQ-CVDCTZTESA-N 458.515 0.010 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCC(OC3CCN(C(=O)C(O)O)CC3)CC2)CC1 1836631243 YDBPXCOWPJGLJZ-UHFFFAOYSA-N 494.589 0.837 30 20 JCED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837242869 MHQOMWSJHBQYGK-GHRAFVERSA-N 465.547 0.855 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1837393533 UPQCIJIWJFJGQX-CJFMBICVSA-N 473.570 0.788 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1837397253 NYPJVUAQSLUJRZ-GGUMNFRJSA-N 498.621 0.258 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1837403328 KGJOESFTWCVRFT-HXOBKFHXSA-N 490.582 0.769 30 20 JCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443898 UCHAEWHEGCRKOR-HBAGGBEISA-N 469.546 0.579 30 20 JCED O=C(NCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1ccccc1 1837446828 HKFHADNQDFHSOU-YYYGAUAXSA-N 485.585 0.735 30 20 JCED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491506 OKBDXIWAVGCIJW-WKRVVKTRSA-N 454.589 0.300 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)(C1)C2 1837531159 YAEBMRFVARSUJP-BKDUPHOISA-N 479.530 0.315 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)no1 1837549140 MPCGUBINPJEITB-QHCPKHFHSA-N 467.482 0.355 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838073062 VKXAEVCJWYYEGL-OYHNWAKOSA-N 477.518 0.102 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(F)(F)F)nn3C)CCO2)C1 1838076463 HMXOGXPRPPGMFI-KUHUBIRLSA-N 458.437 0.547 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838686638 BVCOQQZNTAVBOJ-MBSDFSHPSA-N 475.546 0.705 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)c(C#N)c1 1839132604 JZLRILIIDXAATM-XMMPIXPASA-N 495.492 0.368 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1839173600 BAKFYJSMFWJVIG-JOCHJYFZSA-N 457.487 0.309 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1839175135 QSIWTIIFNIQJSQ-XMMPIXPASA-N 490.557 0.253 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839451104 ZVVHUIILZGTEPQ-VGSWGCGISA-N 478.571 0.265 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC4(CCN(C(=O)OC(C)(C)C)CC4)CO3)C2)C1 1839805248 FYPYXMFFJIXBTJ-CLOONOSVSA-N 491.585 0.882 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(C#N)cc(OC)c5)C4)C3)(C1)C2 1840005922 BRMRVOYQTJLRNP-DDJHWDJXSA-N 483.521 0.980 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840040207 RPCLVCIJLFFZQA-MHECFPHRSA-N 493.557 0.568 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(Br)cn34)C2)C1 1840042248 IOCDJNAOEHMDQF-HXUWFJFHSA-N 491.298 0.255 30 20 JCED CCOC(=O)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1840043198 JLHUAGJIHBRPJN-JOCHJYFZSA-N 462.430 0.160 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)OC)CCO2)C1 1840142815 ZERYTXUMSQVMGL-FVJVTNMWSA-N 464.559 0.771 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1840806697 VEIMLWYBSWEHDP-RUZDIDTESA-N 490.601 0.409 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1840820748 IBDQIVBJDLQNLK-NFOSPISASA-N 451.483 0.830 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N1CC3(CCCN3C(=O)CCC#N)C1)CCS2(=O)=O 1842814438 MZOCAYIWRWESBX-MRXNPFEDSA-N 480.587 0.918 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846460923 VHDPHBPNXNSVOH-INIZCTEOSA-N 460.531 0.974 30 20 JCED COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 18039303 OKBHBHFOQLJYMD-UHFFFAOYSA-N 464.525 0.361 30 20 JCED C=CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1[C@@H]1COc2ccccc2O1 21089448 QFARGNVKBCHOAF-HNNXBMFYSA-N 470.511 0.931 30 20 JCED CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc21 483559849 IEHLPJPAJMMGHN-UHFFFAOYSA-N 463.498 0.710 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3sccc3C)c(=O)n2CCCC(=O)OC)CC1 501773774 LNAGYQHYEDBNPM-UHFFFAOYSA-N 488.635 0.900 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(-c2ccc(Cl)cc2)c1=O 502041548 IYHUAXWAKXECEU-UHFFFAOYSA-N 498.996 0.237 30 20 JCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 518604553 HSQJGEXFUNXZCN-UHFFFAOYSA-N 453.543 0.862 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 550240170 OGLHNKGZCLQBFO-UHFFFAOYSA-N 466.516 0.509 30 20 JCED N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O 589159225 JYVUCROWERYLMW-UHFFFAOYSA-N 451.435 0.649 30 20 JCED CN(CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2C)c1=O)c1ccccc1 608828003 RFYGDPOGTONWIE-UHFFFAOYSA-N 462.579 0.951 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1CC(N)=O 608910626 AFRHCEFXCAGNSU-UHFFFAOYSA-N 493.448 0.030 30 20 JCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccc(OC)n2)C1=O 726403224 JKCKZMYHOXYCOA-LTRAUPRXSA-N 477.568 0.874 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(=O)N(C)C 726578318 ZOQMUPKRQNYGFF-AWEZNQCLSA-N 482.541 0.836 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3cnn(C)c3)c2=O)cn1 726960661 BSNCUEVLXQZACL-UHFFFAOYSA-N 462.491 0.449 30 20 JCED C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NC1(C#N)CCCCC1 811680712 PDIGNKDCKKWWOE-OAHLLOKOSA-N 464.544 0.941 30 20 JCED COCCN1C(=O)/C(=C(/Nc2ccc([N+](=O)[O-])cc2C#N)[C@H](F)C(=O)OC)C(=O)NC1=S 814339395 KYOAVMSPQZFSKZ-REQDGWNSSA-N 465.419 0.533 30 20 JCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cc1 906492574 OSUQRGOCAGJHAR-FQEVSTJZSA-N 457.468 0.232 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCN3C(=O)COc4ccccc43)CC2)o1 915380745 BWSVORMIBBOQIA-UHFFFAOYSA-N 453.455 0.862 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCC2(CC1)OCCO2 918818668 AEXLOMPFRZSBAD-UHFFFAOYSA-N 451.501 0.414 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1295481920 CAUCMLLLCNEOGE-DEOSSOPVSA-N 467.574 0.959 30 20 JCED CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1303477438 YPXSPGZMYZNVCS-MRXNPFEDSA-N 475.575 0.723 30 20 JCED Cn1cc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CCS(C)(=O)=O)cn1 1314904652 SVLRZCLJAPOFPT-UHFFFAOYSA-N 454.560 0.917 30 20 JCED CC(C)OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1360396680 MZPAAHHLKWANJC-INIZCTEOSA-N 462.580 0.907 30 20 JCED COc1ccc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1518339060 OUQXURYTDWTWFX-PBHICJAKSA-N 450.521 0.705 30 20 JCED CC[C@@H](C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1613423303 KFEHCRNDKKKHCN-MRXNPFEDSA-N 484.609 0.961 30 20 JCED CN(C)C(=O)COc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1696594877 WCHUKIUXXJMGMU-MJGOQNOKSA-N 488.570 0.424 30 20 JCED CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1710973417 TWRPFFFHNQZNRM-RTBURBONSA-N 472.571 0.853 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1731011203 ZCQNBUYZSWEQDE-HZPDHXFCSA-N 456.594 0.202 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1761477064 XHPJZNVVGIVOJT-INIZCTEOSA-N 453.613 0.864 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1778789106 RJMFTVDAGHIDNK-OXQOHEQNSA-N 450.879 0.720 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779420379 RIKDUXFZPDRKCC-BIMRZBSOSA-N 488.607 0.357 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1780174944 DASNEXOAORFZFO-LJQANCHMSA-N 454.405 0.689 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)[C@@H](O)C1 1781112773 DRPNGCZWZVFGFV-UBSXSMEMSA-N 490.557 0.756 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1781270709 KYOGARWVNCYFEA-HJPURHCSSA-N 496.561 0.094 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781290749 JFHDLIOCMLFOOV-UZUQRXQVSA-N 478.594 0.516 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CCO2)C1 1781394219 BAPSAEAESHZAPA-IQMFZBJNSA-N 481.513 0.815 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1782848778 HYKKTLQNHNWRBR-PGRDOPGGSA-N 458.519 0.988 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1)N1CCN(C)CC1 1783605270 OYEOIDPBSKHDPH-PVSGBFIBSA-N 453.587 0.716 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2)C1 1785596360 QKIPLCXWCLUSKX-HZCFWTAGSA-N 493.605 0.993 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@H]3C2)c(O)n1 1788470270 XQOWZLABASBLJW-YRFFXBIPSA-N 476.530 0.564 30 20 JCED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1788611294 RQSIXFZGOVAJCB-UFYCRDLUSA-N 457.600 0.955 30 20 JCED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCS(=O)(=O)CC4)C[C@@H]32)cc1 1790141810 IHUVWWHGYNDMHV-ACRUOGEOSA-N 474.583 0.076 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1791122742 CFDPGFPQTBBKRC-VMDVDIMUSA-N 450.536 0.640 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]4CCO[C@@H]43)[C@H]2C1 1791123821 MOILLUZINFPKKH-HBYOXCMTSA-N 461.559 0.871 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Cn3cncn3)C[C@@H]21 1792257659 ZWKMGCAZYSAISR-HVTWWXFQSA-N 488.589 0.811 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 1793778942 WSNAXHBTGCCKIJ-AYMMHLMVSA-N 461.559 0.877 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794270033 MRSRUOJNICTGCF-UDDTXQRTSA-N 499.568 0.853 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)ccc1Br 1798356995 LBFIOVRPNNXBPE-MIFYACCESA-N 499.325 0.727 30 20 JCED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1798411122 KICSCLXZCPHKFX-YVWYUNDQSA-N 484.538 0.171 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(C)C1 1799120758 PATOMJRSDHWJTO-SWBPCFCJSA-N 462.591 0.834 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=S)NCC 1800187152 YFFRISNVROSOGV-ZMMAXQRCSA-N 497.662 0.920 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801979501 VPAYGHNSTOSSHQ-HEUQOFIXSA-N 496.630 0.932 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCC)NC(C)=O 1802039492 APRMQAMOILXNOP-USYVTKNRSA-N 478.590 0.797 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)c1 1802148522 CZXJAFWNKRSVFB-JTJHWIPRSA-N 499.568 0.839 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1804372907 DWFPRSZJCRIBFX-FZKCQIBNSA-N 461.519 0.093 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1 1805280515 AGHBGPYUICFYJG-MRXNPFEDSA-N 498.577 0.334 30 20 JCED NC(=O)CC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1807049319 ZPROYAVXBDTLID-DXIQSLLYSA-N 455.559 0.379 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)ccc21 1809268891 UTSWLQQHMNYDIF-VGSWGCGISA-N 461.478 0.680 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1809595498 IBVXVDLQRYZCAP-BINQMZBWSA-N 454.575 0.193 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)CCOC1 1812881404 ZVKHLSOSOFRYIY-VWQFJMCTSA-N 486.525 0.859 30 20 JCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)Cc3cn4c(nc3=O)SCC4)sc2C1 1822481922 RSGADSNEVYZYSZ-NSHDSACASA-N 459.509 0.048 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1828026596 MQVBZEDSGKZKRR-GXTWGEPZSA-N 468.495 0.604 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)sc2C1 1828307719 GACCLFWJSFHYTF-GUTXKFCHSA-N 493.586 0.862 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)o1 1829632644 XMVSIGWFUWBXCB-HSZRJFAPSA-N 453.499 0.881 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)O2)C1 1829847280 IHOYRBMDHIXNOD-UUOWRZLLSA-N 492.573 0.915 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)C(C)C)CCO2)C1 1830878424 ZEPVGSBVJBOLHE-GRJZNYKUSA-N 481.590 0.929 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)C2)C1 1831401873 HWHZABZRMDVNEO-GUSIKLTESA-N 491.585 0.879 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OCc3ccccc3)C2)C1 1831402147 PHLQEDLFNZTDLV-FHAGJXEFSA-N 487.553 0.796 30 20 JCED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)c1=O 1831881568 YCHBYNFEMWFBNM-VWLOTQADSA-N 464.522 0.960 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832521741 JCLQECQWEIRFBK-BAWHURIHSA-N 462.587 0.940 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832534998 PGDIWCDIXYRJFW-NYHFZMIOSA-N 461.540 0.447 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(OCF)cn2)CCO3)c(C#N)c1 1833572787 OHOYEWWQMWGDED-DEOSSOPVSA-N 499.499 0.975 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)c1 1834565205 SGGZAQZNLADCPL-SSOJOUAXSA-N 492.536 0.637 30 20 JCED CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834716207 NMVXPSKNECOHBD-UHFFFAOYSA-N 465.668 0.324 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1835361654 WGBPYLQHUCVPEU-FQEVSTJZSA-N 453.492 0.603 30 20 JCED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1)C(=O)O 1835750386 XORZWXJFYZXUBG-FQEVSTJZSA-N 462.591 0.319 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)C(=O)O 1835760537 ZHROSLRXHOIKGZ-JGZIUXITSA-N 465.528 0.006 30 20 JCED CCc1c(Br)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)nn1C 1836276248 HSQIUIQFWULGTI-SFHVURJKSA-N 454.325 0.729 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cn1 1836381097 YNDOYDHFZIFIAE-JOCHJYFZSA-N 476.555 0.390 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1837399673 ZGHCAEXABZYWPB-KSFYIVLOSA-N 476.555 0.399 30 20 JCED COc1ncccc1CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441274 YZCWHKJSYIZCPQ-RGXRWQALSA-N 473.574 0.951 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1837524968 KFRJWOPHSUIACP-IOFJYKPDSA-N 470.592 0.021 30 20 JCED COc1nc(C)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531524 OUEATEBYCREHLO-QWPYIFRSSA-N 476.530 0.998 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1)c1ccccc1 1837616455 GEIHNAOAHDZICS-NVQXNPDNSA-N 478.549 0.897 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)c1 1838633025 RTGYPBAKHTZKFA-QHCPKHFHSA-N 451.483 0.344 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)c1 1838740319 KCHWGDMNNFCHPU-NRFANRHFSA-N 455.427 0.884 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)cn4)C3)C2)c(C#N)c1 1839132018 NKRJHOAYDNARRM-XMMPIXPASA-N 466.494 0.980 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1839174775 WISXOJDGKRLNTG-CVDCTZTESA-N 460.531 0.437 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n1 1839187106 KGKZMIQRAMHGCI-XMMPIXPASA-N 485.516 0.853 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1 1839476513 RGWLMZPIFFIJFT-QFIPXVFZSA-N 464.515 0.713 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnn6c5CCC6)C4)C3)c2c1 1839489070 OCSMGGMBZDHYQW-XMMPIXPASA-N 475.509 0.961 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2ccncc2=O)CCO3)c1 1839662221 AEHUMLSSCAJDLF-DEOSSOPVSA-N 465.510 0.204 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c(O)n1 1839668884 UEGWXLPISPAOQJ-XMMPIXPASA-N 499.524 0.550 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1839783337 AGSDJNCGBFQWCC-UGKGYDQZSA-N 477.539 0.214 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840077262 JQEXENMMSVWALP-VWLOTQADSA-N 496.601 0.211 30 20 JCED CN(C)C(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1840789219 WWVSCCRXZSJBSC-IPACTHBOSA-N 485.585 0.930 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1844239007 KJROWURIUYJTCI-HNNXBMFYSA-N 499.572 0.903 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(SC)cc2)c1=O 501763614 CLXWQDSWQLGHDH-UHFFFAOYSA-N 487.603 0.947 30 20 JCED C[C@@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)o1 514521010 JDXFSEVACBRSJV-CRAIPNDOSA-N 468.579 0.913 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 516440161 OGRMJZIRPHAHSN-UHFFFAOYSA-N 466.483 0.006 30 20 JCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cn2)c1 604146150 ZVEMMNGICNDZPD-UHFFFAOYSA-N 462.466 0.633 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 604434341 XYZVPRITOCUJRK-UHFFFAOYSA-N 472.479 0.190 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCCn3cnc4c3c(=O)n(C)c(=O)n4C)nnc12 612499322 NCJKMADVIXIDNT-UHFFFAOYSA-N 464.511 0.770 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)Cn1cnc2c(cnn2C)c1=O 744993189 BFCUYBYPBVZWAC-UHFFFAOYSA-N 477.437 0.053 30 20 JCED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 750821322 BNCXCHVMJPIEJX-HSZRJFAPSA-N 497.533 0.985 30 20 JCED CCCN(C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 856695113 ZICSGZYDYADIBJ-NVXWUHKLSA-N 485.584 0.850 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC[C@H]1COc2ccccc2O1 913174148 XLKYEDUOBGHMFR-HOCLYGCPSA-N 459.480 0.724 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)n(C)c1=O 916846872 HBBHJKIANLPBPV-NSHDSACASA-N 465.495 0.899 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 917080121 QTYZOOYTWBGOBO-UHFFFAOYSA-N 477.587 0.944 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCOC 917768431 GBFUYGDAVDSSKQ-UHFFFAOYSA-N 452.514 0.182 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(=O)N(C)C 918730335 ZUUFCGGRBTXAPN-UHFFFAOYSA-N 464.469 0.822 30 20 JCED CCC(CC)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1291934032 VDGUWAWERHVNHM-OALUTQOASA-N 495.650 0.993 30 20 JCED CNS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](F)(C#N)C1 1299317824 RUMPBIBVBVCIMR-QFIPXVFZSA-N 490.609 0.634 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1314706046 VPHPQSMTESIQHQ-UHFFFAOYSA-N 462.532 0.068 30 20 JCED CN(CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1314851723 ZNKYPKHCPUHRSL-VQTJNVASSA-N 489.602 0.866 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1315752285 NCNWLNPLCBSJDQ-HXOBKFHXSA-N 470.530 0.564 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1504888191 KURHKWAAACYWQZ-CVEARBPZSA-N 494.540 0.810 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1=O 1504911368 SNEDPXWCGZBSAF-NRFANRHFSA-N 467.574 0.959 30 20 JCED CCCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514443118 JSFPYQHJLJLLMJ-UXHICEINSA-N 494.666 0.519 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1552886221 OACICPHJLIOGKQ-UHFFFAOYSA-N 486.602 0.109 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1618469563 YQOVLJMMHWAOQW-QHCPKHFHSA-N 452.563 0.094 30 20 JCED COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1697048733 KGZHYYMRYSDDPH-QGZVFWFLSA-N 459.528 0.756 30 20 JCED CC(C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1706204034 SXLILPKNVZGLCU-LJQANCHMSA-N 489.602 0.580 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1731191114 ZACSMHXGDAOBRT-GXTWGEPZSA-N 475.497 0.035 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749223594 CSRORXWMAALUAG-XYVMCAHJSA-N 467.596 0.116 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777821334 CUZDBGFGFWVMFA-ZDPZECHZSA-N 455.519 0.709 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1777963584 UJNZLXYQRKKJHY-WJONJSRFSA-N 450.536 0.690 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CC1 1778351978 KRIAXPCCKWDGCH-DEOSSOPVSA-N 472.973 0.686 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COC)CCO2)C1 1778920877 GKUBFWAUJRLINO-OPAMFIHVSA-N 484.550 0.268 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]nnc3n1)CCO2 1778999546 HIBFLMGTUSCTPZ-OAQYLSRUSA-N 471.594 0.307 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014821 JZVWUWFQHBVUBU-YZNUWXPESA-N 481.594 0.564 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)cnc2c1 1779102315 VAZYIDNMCSOGFB-NQXOLCDVSA-N 483.525 0.975 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1780158970 RZNVRDJEBBHIKS-DUOUORMQSA-N 489.525 0.808 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COCCO)CCO2)C1 1781166938 VZKKDDVMPSWOJF-MBSDFSHPSA-N 467.563 0.522 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)S)C1 1782187312 VIIOFEHCEARRTG-WAOWUJCRSA-N 462.609 0.515 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cnnn2)C1 1782611110 MNGNEYOOXUCFFP-YTSMVRMISA-N 489.577 0.665 30 20 JCED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21 1783676413 WJOSKCCHBPELPM-RCBQFDQVSA-N 482.463 0.837 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CCO2 1783914478 YQMHWVSJSVIBNH-JOCHJYFZSA-N 455.552 0.950 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784094191 SSBCONLFIQLAIZ-HTAPYJJXSA-N 460.535 0.674 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21 1784786223 RZWSPGVPBDFTIA-JCECYMMASA-N 482.578 0.498 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1785573200 SPABFJYBJDNISX-IQMFZBJNSA-N 487.513 0.535 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785607590 SAIFSFJYWFDKPE-ZMPRRUGASA-N 468.551 0.176 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1786857932 FRYOGSUSZMSETR-LNLFQRSKSA-N 458.563 0.396 30 20 JCED CC(=O)Nc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)ccn1 1786858100 DGNJYDJBKMDEKN-FHWLQOOXSA-N 456.547 0.915 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3I)[C@H]2C1 1788898518 BHNFIQHZPAIBPX-GMOBBJLQSA-N 464.329 0.926 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789509462 VXVVUOGDNDGCIZ-QTWZMDIBSA-N 462.510 0.760 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn(-c4ccccc4)c4c3COC4)C[C@@H]21 1791075622 GHVZCKVKKYNSPX-KNBMTAEXSA-N 464.478 0.584 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OCC)C[C@@H]21)c1ccc(O)cc1 1791336419 YNUAPKXEODWCGJ-GWADEZIPSA-N 487.553 0.933 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O 1792451447 TXLGBHUIPZSKKW-KVWRPFDZSA-N 471.620 0.902 30 20 JCED C=CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)c(O)n1 1794823595 XULIGNKGVWZXME-REPLKXPHSA-N 476.599 0.888 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795599507 OIZNIXJDUSSEFB-MTHXSQLBSA-N 493.605 0.086 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1795601165 URZXNQHUWLUIMU-BKOODQSKSA-N 465.554 0.768 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795853590 VDLIWZKFTXXZKB-ZMMAXQRCSA-N 462.551 0.727 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1796299339 YRYJDFGMJNKZAL-KQMKRTKOSA-N 493.582 0.962 30 20 JCED Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C/N=C/c3ccco3)cnc2s1 1797838565 BNLHVRHHOMSSPE-ONPAUUETSA-N 469.523 0.980 30 20 JCED CN1CCCN(c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)c([N+](=O)[O-])cc2F)CC1 1798595145 UVEQSYSATZIUEY-MFKICJERSA-N 488.520 0.993 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@](C)(O)CC(=O)O)C3)c(C#N)c1 1799241373 UMROETCFCRQGQH-OIDISNMWSA-N 459.499 0.315 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO 1799339914 XQXULIIDEBTGTH-AJYBTWMASA-N 467.563 0.282 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778779 GIYAERFFJNSXOI-AXVVYFOYSA-N 475.542 0.701 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C13CCN(C(=O)OC(C)(C)C)CC3)C2 1801000541 XWZCJDAHFKBKJT-AJYBTWMASA-N 490.601 0.915 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1CN(C(=O)OC(C)(C)C)C1 1802060270 VWADAAFFGFVCAN-MZNTUGIBSA-N 476.574 0.691 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C)CC1)C2 1802125514 XJGQBKUBAFADGX-YRPNKDGESA-N 462.591 0.834 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnn(C)c1)C2 1802128078 XVXKPRODHXKQAG-RCLSDMTESA-N 473.574 0.859 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCN2CCOCC2)[C@H]1c1cccnc1 1802482736 QQLSUIWEJLGYMD-OBVXKVMASA-N 455.559 0.668 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1 1803507301 SOZYHODAJXNLAV-LJHODMEESA-N 458.544 0.929 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2c2cccnc2)c1 1804198943 RXVLQJMPGJBIED-GHTZIAJQSA-N 470.555 0.331 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cn1 1807917148 PGXWBHDEAWXKRQ-IIBYNOLFSA-N 470.507 0.429 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1809603672 PMVUPHGYMOMINV-OFNKIYASSA-N 457.575 0.844 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812344549 JGBQWABUOHTCQA-GCJKJVERSA-N 453.499 0.854 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)COc2ccccc2C#N)[C@H]1c1cccnc1)C(=O)C(=O)O 1814066156 XOFAIJPSEHRDQY-XMSQKQJNSA-N 479.493 0.581 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814929846 ZYVXTVXCLXDBDW-HIFRSBDPSA-N 489.602 0.812 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1815670667 DWDZAUFHPMSVSB-LJQANCHMSA-N 491.614 0.831 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C/N=C/c2ccco2)CC3)CC1 1818895241 PGFVWNGKHSDQKM-PLVXZXGYSA-N 472.571 0.931 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CC3)CC2)n(C)c1=O 1825105362 NBVXUPGGWUUEER-KRWDZBQOSA-N 481.557 0.357 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825674395 BIGGBISTIWOSRY-ZBEGNZNMSA-N 494.526 0.600 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=N)N)CCN2C(=O)OCc1ccccc1 1828973662 HJKRFCJFILJYFV-DEOSSOPVSA-N 468.558 0.725 30 20 JCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1cncn1 1829334337 HUWBGEKMUILCQL-KOSHJBKYSA-N 494.508 0.379 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1829346748 ZTSQKUSBRCYSQL-PRCFCKQXSA-N 474.583 0.893 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)c(O)c3)CCO2)C1 1830248552 RIKRBJRYTCZLGY-RDPSFJRHSA-N 462.543 0.973 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1830568497 BFUCRKKCIVTNAP-VWKPWSFCSA-N 475.608 0.283 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCO2 1831109696 VBPHRACRAXWNCJ-UNIVCBNLSA-N 483.565 0.530 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831393623 ZCRXQWZHTZRKDN-DVECYGJZSA-N 472.542 0.027 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](C)CC(N)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1831616271 TUBXROHOCAIKNU-LLJLJFOGSA-N 494.589 0.520 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C=C[C@H](NC(=O)OC(C)(C)C)C3)CCO2)C1 1832544275 CYGHIVCGUNHCLI-PUFAWVJESA-N 491.585 0.951 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c(C#N)c1 1833314429 GXMWXPADGPNNEK-VWLOTQADSA-N 493.520 0.373 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)n1 1833338684 WRMBEQBMGCZFPD-AOMKIAJQSA-N 461.519 0.911 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1833351507 LEHVZSPXAPIGNR-GOSISDBHSA-N 451.568 0.747 30 20 JCED CN(CC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)C(=O)OC(C)(C)C 1834555483 OBFNRQFCWJHORW-UHFFFAOYSA-N 450.536 0.513 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4nc(CO)[nH]c4c3)CC2)CC1 1835317431 QGGCAZMNSBQKFE-UHFFFAOYSA-N 453.499 0.328 30 20 JCED COc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835675617 ZHYKJLFRPQYRMH-DEOSSOPVSA-N 473.574 0.761 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1835754666 NXAQRVNZUTVIOA-IERDGZPVSA-N 482.578 0.854 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)c1 1836128790 VPGDXHKIULWDMK-HSZRJFAPSA-N 452.467 0.651 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3n1CCN(C(=O)OC(C)(C)C)CC3)CCO2 1836771101 DUIQHLXVVBTGME-DEOSSOPVSA-N 487.557 0.380 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836970704 HCKNKXLIYXRZQN-YVABFXQFSA-N 457.487 0.448 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1837305796 JUVOEDWFOYMBQP-ZHRRBRCNSA-N 456.503 0.256 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1837397850 WUVBYSVEIGQKFV-HYBUGGRVSA-N 460.527 0.987 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837439583 VKMHAOSMYVKYJX-QCDGUUFLSA-N 472.590 0.920 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837490680 LARYLOPRDFQULM-VWLOTQADSA-N 470.570 0.916 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837491691 UUUMJJQBNOADTL-DEOSSOPVSA-N 474.558 0.298 30 20 JCED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n[nH]1 1837524188 BEWSNKSYPYOZJQ-XZCAYTCKSA-N 463.491 0.211 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1837529383 SFTFNWIANQEMIS-FPHRNUPISA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837531277 HFCQUUNAJJEPOD-MDHRDNESSA-N 490.439 0.423 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1)c1ccccc1 1837612416 VQKQMOFXFOHBNG-ZYLNGJIFSA-N 482.537 0.238 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cncnc2C)CCO3)c(C#N)c1 1838094457 DVQAAWWXGVHTJW-DEOSSOPVSA-N 465.510 0.978 30 20 JCED C#CC(=O)N1CCC(OC2CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)CC2)CC1 1838517298 FJPNZRFPJLQDIH-UHFFFAOYSA-N 497.577 0.910 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1838529182 PCWNGAJBCLREMZ-XMMPIXPASA-N 450.495 0.570 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839082362 JORWFMBTHULCST-GSEKPCBJSA-N 492.573 0.373 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187288 UAVBIXGKJIYCQK-WAIKUNEKSA-N 460.506 0.563 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCOCCOCCOC)CCO2)C1 1839220473 OUVKLZSEJDBSFD-XUZZJYLKSA-N 486.606 0.741 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1839228305 YTBKMXNALYMBSL-OYHNWAKOSA-N 491.570 0.997 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(O)cn5)C4)C3)c2c1 1839487861 JKZGROXGJNEESR-QHCPKHFHSA-N 462.466 0.919 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840026740 UJAYPIQIPWBFMS-STSQHVNTSA-N 467.563 0.520 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1840162887 KJUAZMUCSMQFNT-GXZWQRSESA-N 453.536 0.719 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840770488 BLFYUETXMIWLBU-BVZFJXPGSA-N 481.505 0.224 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1840819263 AEHJVUMNRFJHTA-RUZDIDTESA-N 494.504 0.873 30 20 JCED CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)C(C)C 1840819700 AQZHOOLJWWXGJZ-LADGPHEKSA-N 473.526 0.981 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840906830 KJZICDNHUZPRPQ-UZUQRXQVSA-N 462.547 0.909 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCc2onc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)c2C1 1846195324 BVMSHIXWDNRLCR-AWEZNQCLSA-N 472.498 0.962 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OCC)C2 1847068765 GYHHRTKDXQCHSZ-CABCVRRESA-N 452.508 0.171 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 16559202 DIZFPBXOXLEPKT-CYBMUJFWSA-N 465.509 0.430 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)ccc2C)c1=O 501778821 WLDTUPGUFBNQBD-UHFFFAOYSA-N 469.563 0.842 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccc(F)cc3)c2=O)cn1 523179678 FBAPAFSVWWVVAM-UHFFFAOYSA-N 455.515 0.910 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CCNS(C)(=O)=O 524281924 HDLVGMZOYGNJTK-UHFFFAOYSA-N 498.586 0.524 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2cccc(Cl)c2)n(CCNS(C)(=O)=O)c1=O 589160360 RAZKCSDARHHMAX-UHFFFAOYSA-N 491.982 0.232 30 20 JCED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 589802088 LWPYEMAFEMAAER-UHFFFAOYSA-N 465.576 0.216 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 603793119 KZXHORGVISBXEJ-UHFFFAOYSA-N 471.535 0.483 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2\S[C@@H](CC(=O)NC3CC3)C(=O)N2CC(=O)NC2CC2)cc1 726402652 GZAYJUJYQVOMTP-HZSHHLKBSA-N 479.584 0.081 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 729257816 QPPJYTHFDUSFDP-UHFFFAOYSA-N 486.638 0.860 30 20 JCED CC(C)[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 877877226 SZWJOGBZHZFQOX-WBVHZDCISA-N 471.557 0.363 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912685286 CFPDYIWDXKHWIO-JLTOFOAXSA-N 450.517 0.407 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1COc2ccccc2O1 913300612 PNRWELJPMRKTIR-ZBFHGGJFSA-N 459.480 0.724 30 20 JCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1OC 916933176 AOPQVZKERRKCFQ-KRWDZBQOSA-N 486.506 0.785 30 20 JCED CC(C)NC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918278913 ITICBDPPGYTXDV-JJIBRWJFSA-N 451.549 0.859 30 20 JCED CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CCC1 1296268607 URHIZSSNBIIILE-LJQANCHMSA-N 481.557 0.986 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1301774503 XKBCGESKNXDOND-NZQKXSOJSA-N 488.614 0.771 30 20 JCED CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1547968041 RXTJBGDNCSHZPE-RTBURBONSA-N 476.559 0.787 30 20 JCED COC[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555226520 JAFBTEAELKCKMF-CVEARBPZSA-N 462.580 0.764 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690229234 QRVJRWNKMCSVEC-RYUDHWBXSA-N 453.384 0.712 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-n2cccn2)cc1 1692801804 NGMFLFBSKGTLGT-QAPCUYQASA-N 456.532 0.851 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CCO1 1711363793 QRPIKOXYCUYSPP-PMACEKPBSA-N 453.547 0.615 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)COC)CC1 1722557076 SWLBVLLAUNWWRL-OAHLLOKOSA-N 476.987 0.095 30 20 JCED Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1C 1724439446 YMXJSMCCCFEGGM-RXVVDRJESA-N 461.544 0.752 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1729343178 NGAUIIDTXSKNKY-JXFKEZNVSA-N 496.590 0.921 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1750214947 YEBXYHAECBJADZ-UHFFFAOYSA-N 455.548 0.874 30 20 JCED C[S@@](=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CC1 1750220294 WJJAXEUBCMEBMQ-BEIWTESXSA-N 470.621 0.652 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1761481125 MCDCHKAFDYMLEZ-GOEBONIOSA-N 458.610 0.843 30 20 JCED N[C@@H](Cc1cscn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1777968603 NDXPHXQARPBOCN-HJUGLVGISA-N 462.620 0.999 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2C1 1778372534 CMQHIIOXFGWIPT-HSZRJFAPSA-N 487.513 0.165 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)cc2C1 1779020761 AKBVVWJAQUHNKQ-DGEAWOGYSA-N 457.579 0.634 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780331285 QFYXMDSZZNKSTJ-ZHRRBRCNSA-N 461.519 0.606 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1780803478 FMNRLDNUNCCHJH-LRXVAGHRSA-N 486.635 0.973 30 20 JCED Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)c(=O)nc1O 1781301687 AALZAOKFLBAZKN-QHCPKHFHSA-N 469.473 0.341 30 20 JCED CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1781475649 WSDZHFICQUHRHC-AUSIDOKSSA-N 473.599 0.935 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781859943 WNSBXSUBHUBVEV-JPYJTQIMSA-N 465.547 0.358 30 20 JCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1782184706 AXDBNHVQMPHEAF-XBHMSOGKSA-N 452.602 0.724 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1C(=O)N(Cc1cccs1)CC3)CCO2 1783054113 DJKAMHJYJXJGOG-JOCHJYFZSA-N 453.524 0.677 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1783131548 AAVNJIPKNGXUTM-GEQKSPFYSA-N 457.531 0.044 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C[C@@H]21 1783531017 FUGHFZRLCJGBKQ-UKKVWMJBSA-N 467.526 0.418 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565787 QFLNEWVYRLNNKQ-VGOFRKELSA-N 481.427 0.069 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567675 WAVPCGVDCGQNPF-QZMQVMSPSA-N 463.531 0.988 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783781574 KJBJOXNXTDOMSO-PGKMIFDNSA-N 486.635 0.943 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(=O)(=O)c3ccccc3)C[C@@H]21 1784479488 CWYRRDGLDXVZSR-ZFMNYDKASA-N 462.568 0.868 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1784489726 HMYFZEFZFRJWST-ONTIZHBOSA-N 499.612 0.984 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785608985 IEUQFKGPLKJYRA-VVBPWWLESA-N 452.552 0.797 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787496478 XJQGJMBCPUUNRU-PVTWMTORSA-N 481.575 0.298 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)[C@H]4SC(=N)NC4=O)[C@H]3C2)c1 1787496563 YVMHQXNNHNDYDM-GOVQTCTQSA-N 485.566 0.963 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)nc5cccnn45)[C@H]3C2)ccc1F 1789198286 ZYRHBMUVWYKEEU-MDKPJZGXSA-N 490.495 0.936 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1)NC(=O)OC(C)(C)C 1789884183 KPVJVEBNNMFXPH-LFDJNIOPSA-N 466.579 0.960 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)CCOC1 1789913668 KGIMMYIBBNSODH-CFLDLGCGSA-N 462.547 0.954 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1789929578 AQFQBQVHNXLVMC-FJIDUMEYSA-N 464.563 0.936 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791279544 LHSBXYDPPGJOJL-FJIDUMEYSA-N 481.594 0.884 30 20 JCED O=C(/C=N/N1CCCCC1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793729226 DUVQRKIHMQRICF-NEJHCFKJSA-N 452.405 0.403 30 20 JCED O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1793861499 WIECDILDSUPFES-NHKMSHSESA-N 493.560 0.961 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(Cc2cccs2)C1 1793972816 BXTMGUGJGXZHSF-OHHNFCFSSA-N 459.568 0.725 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(-c2ccccc2)nc2sccn2c1=O 1796094228 QJGPKLFECXMYPV-CWPLJXCYSA-N 492.513 0.714 30 20 JCED Cn1ncc(Br)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1796748826 NCHROECOPWLKRM-UWIRNRKESA-N 467.368 0.858 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(C)=O)CC1)c1ccc(O)cc1 1797306228 QDTXJEOGULQBLG-IQXSCUCBSA-N 496.608 0.643 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1797706495 BJYTZENNWQYUHY-NNNWTRQLSA-N 469.538 0.835 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1797939258 DCDZMYUVQGIHLJ-JRATXPSKSA-N 465.432 0.866 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1799325249 ZCHGCJHPORYHIS-UYTYNIKBSA-N 477.566 0.683 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H]2C[C@H](O)[C@H](C2)N1C(=O)OC(C)(C)C 1800788562 WURUGLAHEKNKAH-HHGBYSHGSA-N 469.604 0.653 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOc1ccccc1Br 1800831282 CBXHUGJPCOKZFH-VTEUUUEMSA-N 465.300 0.896 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801982367 JFZLDDHSDIEJAL-YVSFHVDLSA-N 478.546 0.726 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802085922 XZOTWJAWSGWKKG-MVJTYMMSSA-N 485.603 0.952 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1C)C2 1802125488 WTWINMJKHIIPDX-UKBAYJJMSA-N 459.547 0.848 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1802127932 ZSCMSBLXPNUYTL-FQLMCAECSA-N 490.479 0.171 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)C=CC1=O 1802543956 JFAXDHTXGNELDB-YYIAUSFCSA-N 458.515 0.466 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2(N3CCN(C)CC3)CC2)[C@@H]1c1cccnc1 1803549838 GKJHHHCHKJUZLK-BAGYTPMASA-N 453.587 0.906 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1807144822 BVVVVKBCBCEKHD-FXAWDEMLSA-N 478.557 0.623 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812391404 XLJGPMDVXRTPFI-ISYFSJPXSA-N 475.502 0.159 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826318811 RSIDQSHNHKTKFH-CXLYZZFOSA-N 461.500 0.509 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1828585747 ZAYWWNAANIMDDO-UUOWRZLLSA-N 487.557 0.698 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831387891 SKVLDGOGEKFUAM-DVECYGJZSA-N 472.542 0.027 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831693030 PJYTYGUHIDCPST-YGPNGPECSA-N 451.568 0.077 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccc(C)n1)CCO2 1832609279 FEYJQTRMHDUFLA-NECUJFQYSA-N 456.543 0.637 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)cc1 1833107657 GYAUDIJYXKIJPD-UHFFFAOYSA-N 466.542 0.224 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n(C)n1 1833443587 ULHFRIFYCVEHBL-XTSMJKTBSA-N 465.507 0.028 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nc1 1833648114 YUACDZQOROPOGA-FPHRNUPISA-N 475.546 0.747 30 20 JCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cncc(S(C)(=O)=O)c3)CC2)CC1 1833942778 XIRGEPXRNMPMPI-AWEZNQCLSA-N 454.618 0.989 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169112 ZENXWGBCVNQPJE-HXUWFJFHSA-N 488.589 0.957 30 20 JCED CN(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836321805 KLVZPZYXYKIXIL-HXUWFJFHSA-N 469.464 0.994 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cn1 1836381098 YNDOYDHFZIFIAE-QFIPXVFZSA-N 476.555 0.390 30 20 JCED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1836879852 FISJYFXFSAGCLV-FQEVSTJZSA-N 475.677 0.670 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)c1 1838579633 VRNUXFXGVXSGTN-JOCHJYFZSA-N 453.455 0.446 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2c[nH]nc2C)CCO3)c(C#N)c1 1838684023 LOZVWUIUCHPYRG-HSZRJFAPSA-N 453.499 0.911 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)cc1 1838953253 VSEGTYAEUIXPBT-QHCPKHFHSA-N 451.483 0.757 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)c(C#N)c1 1839132557 IXGQKIGSNLEKTO-QHCPKHFHSA-N 467.482 0.375 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187280 TXYNUTHRCGXNEQ-GCJKJVERSA-N 461.494 0.143 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204628 TYHRIKJJZMQJIY-NTKDMRAZSA-N 481.590 0.912 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1839227390 DQKLXZDHSWLSSC-JPYJTQIMSA-N 476.578 0.590 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)c(O)cc1O)CCO2 1839251125 YMBICWOBFMSRJM-LJBSOROUSA-N 479.917 0.680 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)cc1 1839719000 YHNOUKZQBQOFPQ-XMMPIXPASA-N 495.492 0.593 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840164951 UFLQYCVTEAASLX-HVRFAWQISA-N 499.630 0.643 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H]3CCNC(=O)C3)CCO4)c2c1 1840234492 YAELGAVWSRVFSL-HJPURHCSSA-N 466.498 0.031 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)OC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251602 OKXJDHQPPKRLQT-UUOWRZLLSA-N 495.573 0.962 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1 1840716727 RJAVNYUIVKJPOC-OSPHWJPCSA-N 466.494 0.309 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COCCO)C3)C2)cc1C#N 1840763809 SLWSPGUFJLCWHD-QHCPKHFHSA-N 461.515 0.424 30 20 JCED CC(=O)NCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 30500049 WCTMTVNSXIZZSN-UHFFFAOYSA-N 462.553 0.890 30 20 JCED CC(=O)NCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 30500053 DMAXNOFBTPNXAF-UHFFFAOYSA-N 468.582 0.951 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)c1=O 31751531 LOSQQRJKALWFOD-UHFFFAOYSA-N 452.475 0.083 30 20 JCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 508935298 WOMJXIBAYFMXQP-UHFFFAOYSA-N 469.567 0.883 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cccc([N+](=O)[O-])c3)c2=O)cn1 523179569 XGGFIISNFVVCFS-UHFFFAOYSA-N 482.522 0.679 30 20 JCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(CC(N)=O)c1=O 524281981 JXBOTQYCTAUQSK-UHFFFAOYSA-N 453.501 0.880 30 20 JCED N#Cc1c(CCCNC(=O)NCCNC(=O)c2cnccn2)nn(-c2ccc(F)cc2)c1N 608843522 ZANRIYOOKFLHLF-UHFFFAOYSA-N 451.466 0.917 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(OC)nc1 608884281 CWXIPVQRJGTTFV-AWEZNQCLSA-N 495.517 0.865 30 20 JCED CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 726289920 NTAYUWZSAWIHGC-UHFFFAOYSA-N 457.512 0.664 30 20 JCED Cc1nn(C)c(C)c1CCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 809199858 AZDQVIJZGLKWGC-UHFFFAOYSA-N 473.555 0.918 30 20 JCED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 856597943 OAFJKJOFBDOGAR-INIZCTEOSA-N 451.545 0.848 30 20 JCED NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 918097297 DZTKLCWOSBQGIJ-UHFFFAOYSA-N 469.523 0.701 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2C2CCN(C)CC2)CC1 920400092 ZMHYHIRWDGWXHI-UHFFFAOYSA-N 497.669 0.194 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CS(C)(=O)=O)CC1 1301968873 RBLNKXJHQNVFMB-HUUCEWRRSA-N 474.609 0.032 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c1=O 1323723038 RIWJZUYGXRKDOD-UHFFFAOYSA-N 465.510 0.509 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 1450120480 RXUWXVUMDHYRCL-HOCLYGCPSA-N 456.590 0.776 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 1472525071 XCDIXRQQYWYBDC-YOEHRIQHSA-N 452.533 0.977 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CC1 1505137961 RWBRJGUDQHQARP-UHFFFAOYSA-N 473.603 0.745 30 20 JCED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1519528837 OUEDBYLQYRKMQL-LJQANCHMSA-N 488.570 0.601 30 20 JCED COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1554524353 RKWMIMYVYHIVHG-MRXNPFEDSA-N 462.532 0.667 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)C1CC1 1608565128 ZRRGXIRHPBCMSQ-UHFFFAOYSA-N 451.535 0.536 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCOC4)n3CC(=O)NCC(F)F)CC2)c1C#N 1612469911 IGTPFXNPJUEXQZ-CQSZACIVSA-N 463.493 0.404 30 20 JCED Cc1nn(C)c(N2CCN([C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 1658293082 YPANHSUAOPSSDB-MRXNPFEDSA-N 459.576 0.117 30 20 JCED CC(C)N1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1692489152 SFHPUYLEBUUHCW-IPMKNSEASA-N 481.623 0.460 30 20 JCED C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)N(C)C1CC1 1692732031 XVZKNTIYBMZCDE-CRAIPNDOSA-N 451.597 0.834 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1696578533 KKWZNFJEGJXEDY-VQTJNVASSA-N 452.563 0.935 30 20 JCED C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705756057 OMTNKNPJDBXEEQ-UHFFFAOYSA-N 457.926 0.965 30 20 JCED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1728258465 QHKDKQWZEKVIEO-UHFFFAOYSA-N 466.546 0.869 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740802086 INSSONRULVFTIF-AWEZNQCLSA-N 460.988 0.716 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740804078 YJMRDYBNBAFRRG-AWEZNQCLSA-N 486.986 0.698 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCS(=O)(=O)CC1 1751096281 OWVNQCWTEKQYIL-GOEBONIOSA-N 474.609 0.174 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)C2CC2)CC1 1761546682 DOTALUVCRGHIMF-OXJNMPFZSA-N 452.581 0.902 30 20 JCED C[C@H]1C[C@@H](C)CN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C1 1762729797 SLHKJBDXMFHYQO-XDNAFOTISA-N 453.613 0.985 30 20 JCED CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769363128 YBWCSPOFAQUTLI-CQSZACIVSA-N 483.396 0.761 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)C1 1771361066 JLCFECIIFQYOGB-RLFYNMQTSA-N 490.583 0.020 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127224 GFXRVHUJPDHEEA-WZONZLPQSA-N 452.467 0.381 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1779937321 FPTKASNHIBASPE-UZUQRXQVSA-N 469.542 0.402 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1781148530 BLHOVARFXPXURD-PONJGIIJSA-N 486.635 0.896 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782009306 KACXLAWBDBIZFH-YGKZAACZSA-N 479.530 0.224 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(N3CCOCC3)n1)C2 1782010048 IJLJUZRFGBKVMJ-WZONZLPQSA-N 456.499 0.134 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)CNC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1783146309 AOSYGOFMBUFZBP-JTSKRJEESA-N 450.536 0.518 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1783686288 KXQKUPQEIARYFT-DENIHFKCSA-N 473.567 0.313 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1)NC(=O)OC(C)(C)C 1783898711 VODZWDIOCIGGFF-MNVSYLFESA-N 459.565 0.591 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CCO2 1783912454 KRGOPDSYYQNYBJ-XMMPIXPASA-N 489.594 0.955 30 20 JCED O=C(Cn1nnc2ccccc21)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784899180 PHJYSROFTYTJTL-AEEOAWSSSA-N 470.530 0.940 30 20 JCED NC(=O)c1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1785520177 ZJJVDHKOQJIKHX-WDSOQIARSA-N 454.527 0.472 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1785574787 RUESWFSMMUYICZ-IVZQSRNASA-N 461.519 0.925 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785608880 COTKISHYNMAXJU-HJPURHCSSA-N 496.561 0.094 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN(C)C)[C@H]2C1 1786721345 UCUHQGACCVGXOJ-VJANTYMQSA-N 450.580 0.834 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1788658827 PEJSGCDOGOTTCS-KATFJWFKSA-N 488.545 0.139 30 20 JCED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21)c1ccccc1 1788707270 DDGIAWCEHXZHGZ-WOZUAGRISA-N 477.498 0.888 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1789892430 QMUQGIPLILKPOH-MDLJMBGESA-N 466.560 0.278 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1789892431 QMUQGIPLILKPOH-WNZSCWOMSA-N 466.560 0.278 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)cc(C(F)(F)F)c1 1790256614 CDBZZYBXEYPDBV-MGHWNKPDSA-N 481.475 0.763 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)NCC)C[C@@H]21 1792257483 VERBSIWKUVBKAW-BCYZHJNNSA-N 493.605 0.590 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1793082336 AOBKIHUOCFFTOA-PJVZLEMVSA-N 481.590 0.785 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1793387959 WVYJUGSHJZZYDU-HGRWERBWSA-N 471.620 0.902 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 1793604018 UZLMIHPUXDCSSV-UJWQCDCRSA-N 467.563 0.803 30 20 JCED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)no1 1799883919 CULSDANNOUYYLX-YVWYUNDQSA-N 477.481 0.364 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1)NC(=O)OC(C)(C)C 1800527325 DVLWSWSHFXVVSS-GFAJBQDWSA-N 464.563 0.572 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801009033 MVSZFAITTZCWSA-MSRBSNNSSA-N 495.573 0.661 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801066644 DVKHZAQADXXNIY-OGJJZOIMSA-N 464.563 0.572 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnc1)C2 1802124659 GTZKTYPNUXOWNY-NZGUISNBSA-N 472.542 0.967 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(OC)OC)C2 1802138527 KALLDPBCGYEQHC-IFSBAMAHSA-N 453.536 0.664 30 20 JCED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1802151917 KLOGFWVUJHWDQM-KCYAQADSSA-N 452.552 0.557 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCN2CCN(C)CC2)[C@H]1c1cccnc1 1802481249 HRACQBYSILHKQF-YRBHQURASA-N 468.602 0.583 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)C2 1804374194 RJASMLCYBMNBGY-YVSFHVDLSA-N 484.557 0.795 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)c1 1807049499 ZAPZYFZELKGHGY-XJABCFGWSA-N 464.526 0.874 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807943526 WUDDYELLEKAUFI-PGRDOPGGSA-N 468.477 0.579 30 20 JCED C=C(C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1)C(F)(F)F 1812676852 IJZOFNOHGLUIIU-ZFWWWQNUSA-N 450.354 0.931 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1823531559 GCFOAJRJPJIDGS-UONOGXRCSA-N 476.490 0.259 30 20 JCED Cc1noc(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1829010985 BOMHMHUAKOTRQE-DEOSSOPVSA-N 495.492 0.461 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)O)CCN2C(=O)OCc1ccccc1 1829321453 FSHRQHKYJQJJGG-NSUVWMATSA-N 484.553 0.678 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829520425 HGHGFWUGZHQGSL-FQEVSTJZSA-N 452.895 0.709 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)cc1 1829632605 ZMPIXHMQPFKKHW-DEOSSOPVSA-N 450.495 0.894 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c(C(F)(F)F)n1 1829949980 LISWXFMTFAFNTO-SPLOXXLWSA-N 495.458 0.568 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1830416565 VRECLYGWMLCLQS-YOEHRIQHSA-N 458.523 0.847 30 20 JCED N=C(N)SCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830466545 FGOPCNDRPXOFBT-FQEVSTJZSA-N 450.948 0.775 30 20 JCED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468941 YNSWTYUGVKWPBF-HSZRJFAPSA-N 461.946 0.920 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CC)CCO2)C1 1830531579 QQIHZVQNJDXIHO-DRSNIGMVSA-N 455.552 0.683 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208301 KRDUYNSDAWFHRI-HCYUJWNOSA-N 491.585 0.881 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831208366 MFSCYCUDCDAMLW-CYFREDJKSA-N 489.594 0.532 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1831420974 BPZIJDXEMZGZIP-MBSDFSHPSA-N 455.515 0.928 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831673484 QRLZOJHLDYQRJP-QZTJIDSGSA-N 465.547 0.970 30 20 JCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)CC3)CC2)C1 1833048581 JYTHNMHTUPIHQC-UHFFFAOYSA-N 461.588 0.990 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833614457 MMIDTSOGLSHXGG-MQHZAWOVSA-N 489.573 0.402 30 20 JCED COCCn1nccc1C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715330 VGDIDVHNIZLLAL-UHFFFAOYSA-N 473.622 0.997 30 20 JCED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1)C(=O)O 1834738439 FRBYNIQOPJHLCN-OAQYLSRUSA-N 455.559 0.735 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835304076 LRFJMFVZAQZPLN-MFEFFIJZSA-N 480.562 0.191 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835358519 DSXPQTQQSDZCDA-XXBNENTESA-N 496.486 0.911 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CN5CCCCC5)CCO4)C3)c2c1 1835379316 OLWLBMGUNHAGIG-XMMPIXPASA-N 466.542 0.990 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1835674313 IQZPKRUBXYHAIN-NRFANRHFSA-N 462.576 0.307 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1835678123 ZAWPLPRQWLRCJL-HXUWFJFHSA-N 450.927 0.482 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1835849518 UUNDJDIKDWYZSK-OAQYLSRUSA-N 457.512 0.746 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836022433 ZSIULBKVRUMLPW-GAJHUEQPSA-N 493.561 0.846 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836449579 BQGYYLRSNQCBKV-WVBYBHFTSA-N 472.502 0.557 30 20 JCED CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)ccc3F)CC2)CC1 1836463882 WYWKBXBOEDKONQ-UHFFFAOYSA-N 450.536 0.927 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCO4)CCO3)c1 1836970859 HXHSVSCGADYJQG-QHCPKHFHSA-N 451.483 0.921 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1837118644 YHHKBLUANARNSN-IYZQMXKPSA-N 453.499 0.263 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1837396314 FSJXUQRVGCEAIZ-NBGIEHNGSA-N 488.585 0.561 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837483708 XQIHQLHPSVWAPL-JTSKRJEESA-N 461.519 0.243 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837487494 XZCLFSGPOMKIQB-FYSMJZIKSA-N 490.524 0.795 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837491081 UNEZZFXHWDOSPY-MQHZAWOVSA-N 460.575 0.613 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837528315 GBYKINGTOHNYIR-XROZVMNBSA-N 472.502 0.328 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1)c1ccccc1 1837614737 WDGLVHRFBWNYLY-BKSPAHHJSA-N 487.553 0.705 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837757210 NIUHAMVSKSFHPW-GAJHUEQPSA-N 462.547 0.568 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1838384722 JFKVETNCMRBMHK-KRWDZBQOSA-N 459.547 0.761 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cn2[nH]cnc(=O)c12 1838469031 YHTSUEZZOXTFOD-RUZDIDTESA-N 490.520 0.515 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cn2[nH]cnc(=O)c12 1838469238 FNQKMEIDQFFCRV-VWLOTQADSA-N 475.505 0.453 30 20 JCED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc2c[nH]c3nccc-3c21 1838484748 UQBBWPFXHQREAM-QHCPKHFHSA-N 465.466 0.164 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204494 RWHKQDNJFTYLCM-IUKKYPGJSA-N 469.579 0.931 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1839225306 FFJZERMOHFLMFX-VGOFRKELSA-N 458.519 0.909 30 20 JCED COc1c(Br)cccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839286260 GSWZJYAGACJALH-FQEVSTJZSA-N 481.299 0.616 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)cc1F)CCO2 1839290193 AVKYDWPKEFCUIU-KSEXMQBYSA-N 461.490 0.763 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839372517 FVKALULXWXZXJS-NWZFTMRGSA-N 479.486 0.402 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476800 JRVZYJYNKASACV-ORAYPTAESA-N 460.549 0.618 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839676935 ZZOKWXUAXYKNIE-CVDCTZTESA-N 451.612 0.703 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839683809 NEOTUGBQFYEQQZ-JPYJTQIMSA-N 466.531 0.703 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839891711 SZBCRFVWGQTWDX-YWZLYKJASA-N 495.495 0.837 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c(-c5ccsc5)ccnc34)C2)C1 1840041675 BKLIVTOTPFVEDF-HSZRJFAPSA-N 495.517 0.616 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CC1 1840806216 NHXGQOYZHYAAHJ-DEOSSOPVSA-N 491.589 0.299 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1840844206 IZMFVSYVJMULPU-NWVWQQAFSA-N 479.574 0.617 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1840845070 FHWSDQQWABBUPZ-OAQYLSRUSA-N 452.504 0.713 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1840908966 SZZOVYWUWPFFHB-JDWVLIONSA-N 491.585 0.927 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1840908968 TZEBCXWUHUHPNI-AUFFKQJYSA-N 477.558 0.252 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1840909654 ZCDALFODSPJSND-ZHRRBRCNSA-N 476.534 0.100 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1840959230 BGQNFUFLXXGLAQ-KOSHJBKYSA-N 492.573 0.773 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(C)=O)CC2)C1 1843975286 WPULIGDSPDFNGR-LJQANCHMSA-N 475.590 0.271 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)cn1 1844300762 ZYKSMNCGZZEBGX-DOUQRPAJSA-N 464.544 0.972 30 20 JCED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)O 1845137119 IUKPJFGANWQXCU-INIZCTEOSA-N 477.562 0.793 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NS(=O)(=O)CC 1847788561 FZBWAYHWBBCXSG-QAETUUGQSA-N 470.592 0.433 30 20 JCED COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1OCC(N)=O 26016608 TZWXSWAJDRBXNC-UHFFFAOYSA-N 458.496 0.578 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)c(F)c1 502052665 UZICMOJFMLFLOG-UHFFFAOYSA-N 455.515 0.736 30 20 JCED COCCn1c(N)c(C(=O)CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(O)nc1=O 502161017 WIRRBYDIWUPYPD-UHFFFAOYSA-N 454.487 0.583 30 20 JCED C=CCN(C(=O)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 509794013 OXEFNGGXAPQHHG-HNNXBMFYSA-N 460.574 0.964 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OC(C)C)c2)c1=O 553276129 JQHSDDFONYDESF-UHFFFAOYSA-N 470.595 0.668 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c(Cl)c1 589160612 JTIOEGLYAWNHAX-UHFFFAOYSA-N 483.999 0.849 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 604118600 PJMYSESRNHVIJR-UHFFFAOYSA-N 461.565 0.304 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(Cl)c1 608884545 VZBJHIQLDRSPDO-ZDUSSCGKSA-N 487.969 0.949 30 20 JCED CN(C)CCCN(CCC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 609166591 BKFQRYGMDJBUNU-UHFFFAOYSA-N 463.604 0.994 30 20 JCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)C[C@H](C)O1 609342359 VQMPGURVMQKLSX-HOTGVXAUSA-N 463.560 0.527 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3c(C)nn(C)c3C)c2=O)cn1 726960962 CXNPLBALCXWWBX-UHFFFAOYSA-N 480.550 0.015 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc3cnn(C)c3)c2=O)cn1 726962711 UMLBFGRYJKENBX-UHFFFAOYSA-N 482.566 0.470 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCS(C)(=O)=O 730801579 AIBOTTHEJGZDKY-UHFFFAOYSA-N 455.508 0.260 30 20 JCED O=C([C@H]1CSCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCSCC1 747440436 CPTWTYCORPDDGE-OAHLLOKOSA-N 468.626 0.982 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1=O 748301469 DJDWIJVAEBVXRF-NRFANRHFSA-N 481.601 0.430 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 834834388 FJEDDSDSSYWLIG-UHFFFAOYSA-N 453.498 0.594 30 20 JCED C[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 853670949 BGTBQFWNCOFOHY-HNNXBMFYSA-N 472.527 0.186 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 887561306 DZFKWOKMYIPYOI-CQSZACIVSA-N 481.527 0.817 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)cc2)c1=O 916198939 XYSULUNECSAMGF-UHFFFAOYSA-N 476.986 0.161 30 20 JCED COCCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 916875073 JOIWICXJWGCECE-QGZVFWFLSA-N 465.528 0.735 30 20 JCED CNS(=O)(=O)c1cc(NC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)ccc1C 919316155 VAPXWUSUTHFQHN-UHFFFAOYSA-N 479.536 0.872 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 1286889844 NCQRNGFGOGQINU-UHFFFAOYSA-N 450.547 0.683 30 20 JCED CC(C)C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1287332092 IWTZFICAHFWYPM-KZNAEPCWSA-N 469.612 0.316 30 20 JCED COCCN(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1301718762 JTJNGGRSJWMGOI-GOSISDBHSA-N 483.639 0.709 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1314630592 ZEECMHKOMHUQNY-RBUKOAKNSA-N 477.635 0.863 30 20 JCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1467706808 JVXVWSQABITXQQ-KDOFPFPSSA-N 458.544 0.493 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1503406820 PEAKAZXSMSSFQE-SFHVURJKSA-N 457.560 0.909 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1504131789 MNPLXCQNTSNGDE-HNAYVOBHSA-N 476.559 0.973 30 20 JCED CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1 1516401927 KPLQZTHCKMHMLW-UHFFFAOYSA-N 484.557 0.954 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1554150869 ZJSAHWHRIOOFHM-GOSISDBHSA-N 458.544 0.547 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 1596283259 XYANCBFIJXIRGZ-UHFFFAOYSA-N 485.614 0.994 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1696489557 LFPQSYVPRXHQQT-SFHVURJKSA-N 472.575 0.702 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1710013586 PDOYNVJXTMCHMF-GPMSIDNRSA-N 457.576 0.783 30 20 JCED COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cn1 1711853321 ILGNNZXIKQWFAZ-KRWDZBQOSA-N 461.548 0.803 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1=O 1712487527 YCABCEUUZMMQGA-UHFFFAOYSA-N 472.571 0.937 30 20 JCED N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1731184048 ZDPYSUPBQYJDGP-MOPGFXCFSA-N 453.471 0.988 30 20 JCED C=C(Br)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1749112861 QWIWDZLIEGSMAT-MRXNPFEDSA-N 464.386 0.920 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(OCC2CC2)c1 1761502385 YWVIEPPVMIFISE-YOEHRIQHSA-N 461.548 0.849 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)CC1 1778114977 KDAMZOOQZBJLQX-JOCHJYFZSA-N 460.556 0.673 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1778967279 JZRZIOHCTVSDSB-HYBUGGRVSA-N 458.559 0.935 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1779103071 NFXRGYLIIFEHHM-XVDYNPRASA-N 451.398 0.451 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nn[nH]c2C(F)(F)F)C1 1780194067 LUMZUCULSAJWSH-PNWKCXAYSA-N 470.452 0.809 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780361870 BHTXZUYYVLWTHL-IBGZPJMESA-N 455.437 0.966 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781380820 WNKDVXPSKRFTHB-QFIPXVFZSA-N 474.620 0.822 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cn1)CCO2 1783047405 CEWJWADABCGNMP-XMMPIXPASA-N 484.557 0.610 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1783166550 HZIVPGIUGUFDGQ-QQMNAOGKSA-N 464.563 0.812 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C)C2 1783268122 FPBSWIFRSCMTPW-PMAPCBKXSA-N 450.580 0.979 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1783612504 ZPDUQWYWGQVOJI-VVBPWWLESA-N 450.536 0.736 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1783772090 ZGGOQCASAGHYCE-SEPYTNNBSA-N 464.563 0.812 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)C1 1784006565 MBLUNDWZWGZEAY-YADHBBJMSA-N 450.536 0.738 30 20 JCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1784536751 ARRKHUBUHGXQOZ-OWIUFQIYSA-N 466.629 0.826 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1785593334 ZYPYQFJJGAITQI-JSMQRPJFSA-N 476.574 0.812 30 20 JCED CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)c2C1 1785798866 WGBQYJVXMXAACM-ZQIUZPCESA-N 487.513 0.342 30 20 JCED COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788629807 CPBMPRJLOQQGFK-BZSNNMDCSA-N 452.573 0.571 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1c(O)cc(O)cc1O 1790155257 ZVTDWNDJAVEUHA-CKWQZJDESA-N 463.487 0.926 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791332330 AQPNLVVHNQOPIX-WAMQXFNRSA-N 495.617 0.911 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21)NC(=O)OC(C)(C)C 1792108933 GOOCQSMZPRQMSJ-QAETUUGQSA-N 466.583 0.309 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792777788 LSKZLXAMDKDISQ-UEUMHJPSSA-N 461.584 0.675 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1793819841 AUFZDEALTFSUNE-OREBXVKISA-N 469.604 0.866 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794228451 DQPMHXCFMTWMSJ-DFGXFYAUSA-N 462.551 0.878 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1796308234 UTKLQFVSWZRATM-PRKDZGHQSA-N 451.549 0.132 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3(O)CCCCC3)C4)ccc21 1796982846 LHKBNRYTDADNSA-BBIADKPPSA-N 480.565 0.779 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1797786229 UEJDILQSOCWXOO-ADYITMSISA-N 471.510 0.575 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799375522 GNOHBFKOMYVTMD-OYNZLANYSA-N 462.547 0.113 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H]2C[C@H](O)[C@H](C2)N1C(=O)OC(C)(C)C 1800787403 QMDRMYJYKNIHNP-GXQGPDAOSA-N 493.601 0.926 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1800864025 LUWXXDLYNHBTGJ-WCXIOVBPSA-N 451.568 0.771 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1C)C2 1802124962 LKXRAFKVIFSCMI-ZMMAXQRCSA-N 459.547 0.848 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCN2CCOCC2)[C@@H]1c1cccnc1 1802482734 QQLSUIWEJLGYMD-HUZGNZCDSA-N 455.559 0.668 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CSCC(=O)OC)[C@@H]1c1cccnc1 1803574319 OVARBJHWAPXVLI-WJBDPIGGSA-N 460.556 0.852 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1804373851 LBAIAAHFFBYOGC-QKPAOTATSA-N 483.529 0.586 30 20 JCED Cn1c(=O)c2c(CC(=O)NC[C@@H]3CCN(C(=O)CC#N)[C@H]3c3cccnc3)csc2n(C)c1=O 1807334931 WJAMRZMCQTYOPW-YWZLYKJASA-N 480.550 0.856 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCN2C(=O)OCc1ccccc1 1828953336 CXYZKROAUNJMMC-JOCHJYFZSA-N 494.485 0.739 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)C1 1829670810 LHNSKBGJNNOPGX-QFIPXVFZSA-N 460.556 0.314 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1830038399 GKZULUWFUOIOFG-QHCPKHFHSA-N 457.531 0.218 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063058 HYOPGTKLRIDDNM-GAJHUEQPSA-N 462.547 0.909 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1830644906 ZUCVLYZJCWTKQZ-QHCPKHFHSA-N 474.514 0.981 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CCO2)C1 1830880265 JCDKZKOQNVFRHH-YDIMBITNSA-N 495.573 0.117 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831424476 KDZPEQWZQSFNEO-PNCHPQGNSA-N 485.578 0.574 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)n(C)n1 1833446036 BWMZLAPXHBNCNC-JOCHJYFZSA-N 457.462 0.823 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CSCC(=O)OC)CC2)CC1 1833479932 WVRZVCCQISYUDI-UHFFFAOYSA-N 469.604 0.974 30 20 JCED C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833521637 RYHOCZMTVQIJBM-DMGJQLCPSA-N 451.568 0.599 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CC(N)=O)CC2)CC1 1833522727 AZVCCDQEGOZEJG-PXNSSMCTSA-N 491.633 0.986 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1833563948 IKBFSWGLDWSVTM-QFIPXVFZSA-N 461.540 0.110 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1834109911 XWGLEZBMRUVECB-ZHRRBRCNSA-N 461.519 0.396 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1834715350 XICMVLPEZCPZEU-UHFFFAOYSA-N 459.551 0.355 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c(C#N)c1 1834735873 ZVYYKGVIISPCFN-JOCHJYFZSA-N 484.601 0.274 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)c1cc(=O)n2[nH]cnc2n1 1834797023 DMJFOIFNJOPOQC-ZMOGYAJESA-N 480.529 0.315 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835076543 PYJXLQPSKBMVBH-UHFFFAOYSA-N 461.519 0.582 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)cc1C#N 1835127418 QPTJACXWHBPSIK-CYFREDJKSA-N 470.526 0.694 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347686 BYOQOXJXERLRAE-YJGRUCBDSA-N 492.573 0.507 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1F 1835349684 QMVXETKTRHWFFC-OAQYLSRUSA-N 465.503 0.603 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835363977 HWODCTNJZOXUQC-KSFYIVLOSA-N 464.519 0.673 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)CC1 1835513512 LCOPIMOTZOMOGS-UHFFFAOYSA-N 485.589 0.847 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1)c1ccccc1 1835560593 MOGXIPDDNQRBMB-TYBLODHISA-N 470.570 0.233 30 20 JCED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835598379 NHRWRFAJYIPJBX-IGCHPXFFSA-N 454.531 0.878 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835844393 GREMPDPFXJUYLH-WOJBJXKFSA-N 452.596 0.282 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1836769001 HNBMSVNJPXLRFL-RTFZILSDSA-N 465.547 0.084 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)ccc1F 1837319281 PFGAJJJSKNVGRO-FQEVSTJZSA-N 487.406 0.802 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1837429330 SRBBPWVBRWUXPZ-AVRDEDQJSA-N 466.655 0.087 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837431511 RXPKUNGEYSDIPC-JOCHJYFZSA-N 482.723 0.978 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837488953 WDUCAPRHWYOEIT-DEOSSOPVSA-N 472.542 0.644 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)c1 1837882216 PTJNTZNOLPQWFO-NRFANRHFSA-N 471.558 0.772 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838313769 LNSMFTPXVCQGRW-YCRPNKLZSA-N 465.507 0.609 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(C(=O)OCC)c3)CCO2)C1 1838718695 DGJVPULTBMKDDP-UZUQRXQVSA-N 461.515 0.919 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1838760765 WDJZBKGLEUCWHI-UHFFFAOYSA-N 488.585 0.222 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cc(C)on4)C3)C2)c1 1839452713 SCWCYCXIFUYJLZ-DEOSSOPVSA-N 481.509 0.663 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCCOC3=O)cc1)CCO2 1839460550 DROSXUKOOGUHTM-HSZRJFAPSA-N 471.466 0.191 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(NC(C)=O)c(O)c3)CCO2)C1 1839473390 WAANXZMTLXYZPX-YKSBVNFPSA-N 475.542 0.994 30 20 JCED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486325 UAUUCMXQFPOIKL-RSDPBLMXSA-N 455.515 0.912 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839513143 UYNAUBUOCJKZGW-DEOSSOPVSA-N 482.541 0.687 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839633498 IPIBTGBYRGHTQE-UTSGNWPNSA-N 456.543 0.800 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1840143282 PNEDFZUZGBUUII-KCESLBEFSA-N 465.547 0.999 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1845130883 UHVRMIAYNDVQRC-AZUAARDMSA-N 478.590 0.537 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845146588 BRFTUNRYNOHBIW-CQSZACIVSA-N 451.476 0.124 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 24680685 QTLJZUGASWUGGS-SFHVURJKSA-N 468.601 0.889 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)ccc1OC(F)F 489227711 QBHOSVDJZBWANM-UHFFFAOYSA-N 494.520 0.008 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCCO2 497552166 XQBJLHHTZJMALR-UHFFFAOYSA-N 484.559 0.782 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3OC)CC2)sc(=Cc2ccnn2C)c1=O 502008740 YSXLAVBVVMLQSS-UHFFFAOYSA-N 492.605 0.914 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCc3noc(C)n3)cc2)c1=O 517986020 QJMROKORGNQTSZ-UHFFFAOYSA-N 495.561 0.952 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1 596525251 WYUOAXNEAOFNRS-UHFFFAOYSA-N 455.559 0.944 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O 608911600 LFBPARDSGWGOSS-UHFFFAOYSA-N 450.442 0.539 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(Cl)nc1 727164448 ODXYQVBQXMBNGY-UHFFFAOYSA-N 495.992 0.899 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(-c3ccc(F)cc3)c2)c1=O 728558245 IQJSRLZSEGAXAX-UHFFFAOYSA-N 465.510 0.782 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CS(=O)(=O)NC(C)(C)C 744982373 GWBBFQRURIWHIF-UHFFFAOYSA-N 464.500 0.627 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 811831393 IXIMOGBNCIXQSO-INIZCTEOSA-N 473.507 0.721 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCOC 838242536 RTJCVNIEKSSPPU-UHFFFAOYSA-N 453.524 0.830 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccco2)c1 918254740 MHTIYOCWEMAAHL-CDTGLVORSA-N 462.528 0.998 30 20 JCED Cc1oc(NC(=O)[C@@H](C)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C 1167772203 JSBSSTIXKNDPRF-ZBFHGGJFSA-N 451.549 0.016 30 20 JCED CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C 1296168562 XTKCNWKKLNTIBE-JTSKRJEESA-N 474.587 0.809 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1298012223 UVQCMXRXKPGGJX-GOSISDBHSA-N 489.602 0.925 30 20 JCED CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1302949319 XJWUAZCZLUMTNM-OAQYLSRUSA-N 459.576 0.619 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1306246517 TXCQTWAOLUXNMY-QZTJIDSGSA-N 457.560 0.956 30 20 JCED CO[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1315691592 QYTVVXRTVMIDBF-TWMKSMIVSA-N 454.553 0.155 30 20 JCED COc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1518475268 FOFVOSUAEUOPBW-LJQANCHMSA-N 473.603 0.945 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1554126984 SUAFSBVKIRSGGP-JOCHJYFZSA-N 472.571 0.892 30 20 JCED CN(CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1=NS(=O)(=O)c2ccccc21 1568504993 KRSZSDKUIVOXAY-GOSISDBHSA-N 451.508 0.856 30 20 JCED N#Cc1c(Br)cccc1OCC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1624928006 RUDJTUHYJQITPP-UHFFFAOYSA-N 455.294 0.351 30 20 JCED COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1712461317 OSUZMOQDYYUFJU-HXUWFJFHSA-N 489.602 0.846 30 20 JCED CSC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1712757409 OTHJENFMTDADEY-CRAIPNDOSA-N 488.611 0.965 30 20 JCED CCc1nn(C)c(CC)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1727480560 UDXMSFOJESZOFA-GHTZIAJQSA-N 494.597 0.960 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCC2CCOCC2)C1 1770350525 NBYCLSRKTHYOEP-IAGOWNOFSA-N 454.553 0.156 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1779336558 QYRHODXUSUYNDT-FZONSQQESA-N 468.547 0.568 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1779429012 SSFCJOAKNMICFV-KAXSOYNISA-N 478.468 0.708 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2 1781293792 BUCVEAURZQXRDB-YGKZAACZSA-N 498.577 0.740 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1781396980 XEFVZEMRSLYORU-YVHKJVDXSA-N 470.567 0.893 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1781857892 COHDTKIPJQFBFB-CVDCTZTESA-N 474.514 0.610 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CCc1ncccc1-3)C2 1782013321 FOXDDJOQDMTMEU-HOYKHHGWSA-N 463.494 0.786 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1782962912 XUMCJHGNIBEYQD-IUKKYPGJSA-N 497.614 0.959 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCO2)C1 1783732135 OZKFBILUWQTKRB-MHECFPHRSA-N 488.541 0.135 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2)c1ccc(O)cc1 1784013053 RSNXOLJFNVRGJQ-QUURXOELSA-N 471.554 0.370 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc([C@@H](C)C#N)c4)C3)C2)CC1 1785079269 NKGFUQGWLFXAQP-DFBJGRDBSA-N 467.570 0.921 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2)NC(=O)OC(C)(C)C 1785305612 UWTVALOZQIBVHX-HTAPYJJXSA-N 462.551 0.968 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1785571521 DUGYQVDAGSVYBI-MBSDFSHPSA-N 464.563 0.601 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1785596503 XQMLZTJPZPMIGW-URZJWIJPSA-N 460.535 0.577 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)C1 1785623283 NDFNJAMGIWRBFB-JOCHJYFZSA-N 463.531 0.690 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787512024 PKVTULSZYQJPJT-UFGARGMJSA-N 463.556 0.618 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(-c4ccncc4)[nH]n3)[C@H]2C1 1788924883 ACWOPZRGIRFGJN-VPQGIPPWSA-N 464.526 0.923 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789573302 UYSFAPYVKZTAGK-XSDIEEQYSA-N 457.483 0.646 30 20 JCED COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1791134480 ONXHUDNBQUUADP-FYQPLNBISA-N 457.568 0.837 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1792267888 MNDAEPQMGAXIJE-SEWASEFWSA-N 475.546 0.311 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792286486 MFULIPIHDGEIJL-ZEBXBMNNSA-N 465.551 0.104 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O 1792451451 TXLGBHUIPZSKKW-VCRDIIESSA-N 471.620 0.902 30 20 JCED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1792493449 DEKDWLZMDXGEHM-ALXJQNPVSA-N 486.573 0.016 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792832139 QWSZMHOMDIRKTI-KGSLCBSSSA-N 471.510 0.575 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)C2 1793345357 MOOZIHBPIOBBPD-BDEKUHOQSA-N 477.558 0.393 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1793351801 SNOWKZHAJNWYCU-XEMDLRDOSA-N 462.572 0.464 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795416478 WDILYCSDDAGQNR-ZYQXHKLQSA-N 470.592 0.542 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)c1 1796440467 XLIIQYIBSCRKCP-IBHRTIHJSA-N 474.583 0.942 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797684425 XHFKTMUMAHPMCN-BMQTXXJKSA-N 483.525 0.323 30 20 JCED C[C@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236282 DMYWADHHJXEEGK-ZJPYXAASSA-N 463.579 0.712 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1799303585 JUMRIZHIRJUJNE-CCWDJLKJSA-N 494.508 0.283 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C2 1799323085 YHBPUAMYXOOUOJ-IQZDNPOKSA-N 466.579 0.960 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1799325288 ZVDFLLQNKGITQO-SFNKJDCFSA-N 487.619 0.870 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO 1799339747 VCWUSWBUIRJQAC-ZMMAXQRCSA-N 455.552 0.444 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 1800706779 ROXWZGNVOKRBGT-QTMHVTGLSA-N 461.559 0.871 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Br)c(O)cc1F)C2 1800778038 UHKOSRUGHISZCT-PCCFMPIBSA-N 455.236 0.585 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2)NC(=O)OC(C)(C)C 1801931130 HSJLIUCIGWXOAB-YYAJDYIMSA-N 463.539 0.122 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccnn1)C2 1802127456 GSNWSOLUHRCUMG-DFBDCSAJSA-N 460.535 0.345 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)NCC(C)C)C2 1802139609 IBQKENXNKCUNBG-NHWFWODHSA-N 478.590 0.818 30 20 JCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1802151930 LXTRBRQQDUTTKL-FQLMCAECSA-N 474.505 0.556 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)[C@@H]1c1cccnc1 1804112345 QSIYEPFFCRJHHF-STSQHVNTSA-N 452.511 0.967 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)[C@H]1c1cccnc1 1807148924 BBLARLPEONBWQK-DHJUGAMNSA-N 459.547 0.985 30 20 JCED C#CC(=O)N1CC[C@H](CNC(=O)c2ncn3nc(N4CCOCC4)ccc23)[C@H]1c1cccnc1 1807793079 TVDUIHKPBIFYHP-WZONZLPQSA-N 459.510 0.914 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1)C(C)(C)S 1812983689 DYEMXAWHMUJXLY-XLAORIBOSA-N 494.662 0.975 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)[nH]n1 1814439074 YUQGNDPNHAPLHO-ICUWKNINSA-N 475.502 0.755 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@@H](N)C(N)=O)n[nH]1 1817363745 XTJNQWSGUAMTQZ-HLLBOEOZSA-N 489.577 0.911 30 20 JCED O=C(C/N=C/c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827402283 STCSWCNQHSXZLP-XNQWGTPPSA-N 466.502 0.758 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCNC3=N)C2)C1 1828515342 WAQJZWLLNQNAKJ-RUZDIDTESA-N 495.584 0.828 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)cc(OC)c3)C2)C1 1829769191 NHKNWTSLERQZLG-VRWDYKOXSA-N 473.526 0.632 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1829908747 KEZGAZYKOVBIMH-JOCHJYFZSA-N 488.591 0.417 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1830465304 BVPALFVRKVOPQS-HSZRJFAPSA-N 471.897 0.861 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)cc1C#N 1831023842 STWSQZGQMJKMHI-DEOSSOPVSA-N 486.525 0.868 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c(O)n1 1833700138 PHPJVYNARLVPTK-HSZRJFAPSA-N 485.545 0.309 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2C)CCO3)c(O)n1 1833867372 BFWXCBJNNSXDCI-VWLOTQADSA-N 482.537 0.988 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1834776172 DKGLAMYZDFBDQA-XZWVLRMYSA-N 493.557 0.479 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)c1cc(O)nc(O)n1 1835075579 PQNCCJDKDCICCD-UHFFFAOYSA-N 471.558 0.772 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CCS(=O)(=O)c1ccccc1)CCO2 1835145343 ZVJAYGGLRMXGKS-QHCPKHFHSA-N 460.552 0.720 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1835718200 XWWHPIFCDIUSLQ-MOPGFXCFSA-N 455.621 0.708 30 20 JCED CCOc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cnc2c1cnn2C 1836378712 XFXSUNMOTAGSHW-LHSJRXKWSA-N 463.560 0.755 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837098696 RTGZFBIBSYDEML-XMMPIXPASA-N 465.510 0.850 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837398779 IJJOAWFDARBZLZ-NKQCRJKHSA-N 453.536 0.545 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1837443491 CGTSNKVWFARMRZ-HBAGGBEISA-N 454.531 0.876 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837658913 FFSRBVOIZRUQKO-MBSDFSHPSA-N 477.562 0.544 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cn[nH]c4)C3)C2)c1 1838579088 BBTDIBGEVRAGSD-QHCPKHFHSA-N 453.499 0.993 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839085486 IVFOUVQOPFBESX-SWYRRKHMSA-N 496.564 0.794 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)N1CCN(C)CC1 1839101431 KHIOOKLEKSXDNR-PXDATVDWSA-N 454.571 0.130 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1839225298 DZTUGIHIJYALQX-VGOFRKELSA-N 473.534 0.612 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839227673 IVAMSZPLYJHQFD-SIKLNZKXSA-N 473.567 0.313 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839537298 ANDSKLJROXUAFG-UZQCKINESA-N 453.499 0.263 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1839740040 PDVXNGVOQUYSDA-HOYKHHGWSA-N 472.542 0.492 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)CC)CCO2)C1 1839832181 MKODIVPRGXNZQZ-KSFYIVLOSA-N 451.520 0.339 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)cc1C#N 1839875483 YVJACVLDAOFQFT-YADARESESA-N 470.526 0.552 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(F)(F)F)cc3)C2)C1 1840043728 QNUWPMLOUSVTTR-IBGZPJMESA-N 456.373 0.743 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C(=O)OC)cc3)CCO2)C1 1840278792 DGLHQRLJHQYEDJ-RUZDIDTESA-N 488.537 0.982 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840453123 DMUZEUSWOYQOOZ-FIRSQWHBSA-N 476.530 0.834 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN(C)C(C)C)CCO3)c(C#N)c1 1840566521 BBSZTDMNFFKTNG-DEOSSOPVSA-N 458.559 0.906 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2 1840762587 FLNIVECSSVJCAX-HSZRJFAPSA-N 493.582 0.850 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)OC)C2)C1 1840906738 ISAUGFWMOFIRMT-SBUREZEXSA-N 467.563 0.784 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1840912313 DDYJRXQCHFCXPF-UOKFIYJESA-N 489.573 0.960 30 20 JCED CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1840928808 PTZMQNOUTQRSSH-RUZDIDTESA-N 461.603 0.873 30 20 JCED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c(O)n1 1842296656 RFMFWETZAQZOHR-UHFFFAOYSA-N 450.499 0.977 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CCCC34CN(C(=O)C#CC3CC3)C4)c2n1 1845884200 KZBLGZDJONLUJI-UHFFFAOYSA-N 465.514 0.743 30 20 JCED Cc1cc(N(CCC#N)C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1Cl 10952909 MLSQZIDGLQSAFL-UHFFFAOYSA-N 472.889 0.886 30 20 JCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 517193492 UOWZVCJWEZOSHX-UHFFFAOYSA-N 470.467 0.892 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)cc1 523239204 UNBJULKKPBXKSX-UHFFFAOYSA-N 453.484 0.828 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(Cl)s2)c1=O 604270528 WQXDWRRCYTZFLN-UHFFFAOYSA-N 450.973 0.838 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 727010886 PUPLKUUGXBUPOQ-ZWKOTPCHSA-N 463.512 0.026 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(N)=O 727160362 BWOJFTJCPODCLC-NSHDSACASA-N 472.479 0.193 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)cc1 730564976 OPGFTXKORPOIGB-UHFFFAOYSA-N 478.592 0.708 30 20 JCED CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 749007676 HXBJKOHMPZZCHI-MRXNPFEDSA-N 465.528 0.993 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)sc(=Cc2cnn(C)c2)c1=O 837286037 REVJWNNVXYAVCN-UHFFFAOYSA-N 479.562 0.708 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3OC)c(=O)n2CCOC)CC1 916199481 HETRXDDLSIBURA-UHFFFAOYSA-N 456.568 0.232 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)cc1 918241776 MTQUAYWUCGXDAO-MOHJPFBDSA-N 465.576 0.665 30 20 JCED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918445520 IQBQBINHWHSLFQ-QVINMUBDSA-N 451.549 0.859 30 20 JCED CCn1c(=O)c(=O)n(CC(=O)NCc2cccc(C#N)c2)c2cc(S(=O)(=O)N(C)C)ccc21 1115842996 ZLRSCKKMFRZCKM-UHFFFAOYSA-N 469.523 0.621 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1301045584 UXJPGPAVMQASEZ-MRXNPFEDSA-N 459.016 0.923 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1301758592 JSZDHCKTFYGEEM-LJQANCHMSA-N 487.586 0.679 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCC(C(N)=O)CC1 1321443903 JXXJCMFWFAWJTJ-QHCPKHFHSA-N 454.483 0.419 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1360302060 QLJOVGYHHGWDGA-UHFFFAOYSA-N 468.562 0.464 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCn2cncn2)CC1 1444688399 QEWYSFFFOIDZNS-SFHVURJKSA-N 459.576 0.576 30 20 JCED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1552456197 LZBVQZCTHDGNBO-WHUARKNTSA-N 460.560 0.839 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1627248099 ZTTPBOJJNACMHT-INIZCTEOSA-N 457.556 0.914 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(-n2cncn2)c1 1706872579 YVYRGDJDIHBEHR-IFXJQAMLSA-N 459.511 0.959 30 20 JCED CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCN(C)CC1 1712752912 MOPXDYIJQSGEAR-HUUCEWRRSA-N 457.626 0.444 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCc1cn[nH]c1 1729372215 DAILJMILZKDGOH-UHFFFAOYSA-N 450.503 0.990 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCC[C@H]1C 1741938696 LMMSVZQEJHLOAD-MSOLQXFVSA-N 487.634 0.966 30 20 JCED CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1748276726 WRBJDOSNZOGMBM-IBGZPJMESA-N 471.587 0.510 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CC1 1767215240 LFTAXHRQNZVDEX-JOCHJYFZSA-N 480.617 0.922 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)CCO1 1769259629 PRWOMJYPHPYBDD-LJQANCHMSA-N 450.503 0.967 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1=O 1769896581 OGNWNGMQSZPGOB-SFHVURJKSA-N 472.571 0.937 30 20 JCED N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1771539426 XUZDQKIMDFBFNU-KRWDZBQOSA-N 463.589 0.371 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1778920931 IDTFRDZNZXOJAX-MCFFVMPBSA-N 484.550 0.003 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1778969161 DSHYLFWRZHRGMZ-DGGJZMOXSA-N 468.595 0.632 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H](O)CN3)C2)c(C#N)c1 1780601904 RZKOOAPFSGWGQP-IKQBDLNTSA-N 456.543 0.346 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c1 1781103343 KQDPKHWXOIALIH-GSHUGGBRSA-N 457.462 0.423 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781358279 VIMKELRFYJCHFL-YTNPXOLSSA-N 475.542 0.844 30 20 JCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/N2CCCCC2)C3)c(=O)nc1O 1783113694 UNPANBZJFVZHOJ-DFAAWFBFSA-N 474.562 0.243 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783475543 UWNSKSOKTBFIMI-GAZXMLTASA-N 491.541 0.320 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1783787585 QSVAQXWPLCBNPL-OJLQRUNKSA-N 497.589 0.846 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1784198758 OODWFLVXGAGCNK-BZSNNMDCSA-N 468.551 0.438 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)[C@H]2C1 1784329577 RXCWBKYQPBECJD-IEZWGBDMSA-N 454.439 0.617 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)C=C)CCO2)C1 1785576297 CFBFGRJGGZVSGQ-HKARXFIJSA-N 462.547 0.424 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1785593581 CPOHMENPMVUBHZ-NLSFWIRASA-N 467.563 0.949 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cncn3)[C@H]2C1 1787085066 VJPHHRFPRVNBII-XSLAGTTESA-N 462.551 0.727 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5c4CS(=O)(=O)C5)[C@H]3C2)cc1 1787151318 VUHGGFZGQGTPNA-WFXMLNOXSA-N 497.577 0.936 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1)c1ccc(O)cc1 1788556467 GFFJVAXVNGXLEX-IGGJEDBVSA-N 452.511 0.745 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)N4CCOCC4)[C@H]3C2)cc1C#N 1788656575 ZDSJCYPIVVLQDP-ACYIZFCASA-N 486.569 0.589 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCCNC5=O)C[C@@H]32)c1 1789258868 YCVVKRGHHADRPT-BPXKWBHBSA-N 492.536 0.804 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCS(=O)(=O)CC4)C[C@@H]32)c(Cl)c1 1790229446 MEYGMHKQUYOMRM-QRFRQXIXSA-N 495.001 0.535 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC=CC[C@H]3C(=O)OC)[C@H]2C1 1791229584 PGELBSOIZMGYGV-UYJVTVBISA-N 459.543 0.580 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)[nH]3)C[C@@H]21 1792256490 CQQZHGJUEJVMAL-MPTYRVRUSA-N 461.519 0.625 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1)NC(=O)OC(C)(C)C 1792586078 NVIKGHHRJQLNFW-ZIKOTGLESA-N 478.590 0.962 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)C2 1793349892 QHFYDMXVUXWSJQ-VLUPQCQJSA-N 467.538 0.962 30 20 JCED Cc1nn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3(O)CCCCC3)C4)nc2s1 1793662902 ATBMFFCOMHMLNE-UPHUGPLXSA-N 471.583 0.930 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2[C@@H](O)CCN2C(=O)OCc2ccccc2)C3)CC1 1795412970 WPMRJNBKWOTZON-SSTJLMRISA-N 482.537 0.652 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H](N)C(N)=O)C(C)(C)S 1796086677 NHMVZXSAVQTPOX-JRBZFYFNSA-N 485.651 0.819 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796299807 DJWJTZSUHHNJBK-NNXHMXCWSA-N 455.552 0.035 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@H]1SC(=N)NC1=O 1796426619 LGVWLQDIQUCSDR-ONMISFSYSA-N 462.572 0.077 30 20 JCED CC(=O)Nc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)ccn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c1csc2c1c(=O)n(C)c(=O)n2C 1799830770 ZHOWIEKWAYJLLP-LLLHUVSDSA-N 472.567 0.518 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1800024280 WYIZQXNCMGAJRT-XMTFNYHQSA-N 489.573 0.873 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800778636 KOMPLHFKMYFRQM-KOCGSJPCSA-N 463.531 0.701 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC)NC(=O)OC(C)(C)C 1801206402 XUKDWBAKAIGICJ-YYAJDYIMSA-N 468.551 0.792 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801995599 AFBHJZSSOTYFHF-FCQWJQKHSA-N 478.509 0.135 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1802226544 QEWATEWYGVZMCX-OYSTVDSJSA-N 499.630 0.991 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)cc1 1804339823 BECXIOVTJIOPPT-WOIUINJBSA-N 460.494 0.800 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2 1804373218 MBYPIQWUBQMXCL-YIDVYQOGSA-N 461.519 0.139 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1806007921 OHSQULPISOITIA-GBESFXJTSA-N 490.626 0.436 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1806859989 POYWDEBIJVAVPP-MBSDFSHPSA-N 469.519 0.822 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808257286 SQVDNXJHNLVCLI-LQWHRVPQSA-N 486.525 0.811 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810292544 XXPHODCJZHATEF-ZBNBFAPSSA-N 460.535 0.624 30 20 JCED CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1810359544 XBMXEKQOIGYTMU-QGCKEBKASA-N 460.535 0.888 30 20 JCED C[C@H](C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1)n1cnnn1 1810364236 NWJAMGKRBNJFFO-OUTCNGABSA-N 456.507 0.864 30 20 JCED CNC(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828575008 GPVFSCAKWZLYOA-VWLOTQADSA-N 466.538 0.988 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncon1)CCN2C(=O)OCc1ccccc1 1829167939 BQFKKTMQAMIMDX-JOCHJYFZSA-N 467.438 0.223 30 20 JCED CC(C)(C)[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330644 NAVPJDGVHJXPPZ-SQJMNOBHSA-N 485.537 0.934 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1829762524 LBRUGIQGSDAMLS-LRVXOOSSSA-N 474.470 0.516 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncncc4c3)C2)C1 1829770447 QINVTZSVKFMYHO-XLQQFJOYSA-N 465.510 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(C(C)(C)C)c1)CCO2 1833451121 LTKAZZOEUVGTPP-FUMRIQNTSA-N 459.547 0.567 30 20 JCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1833706617 XKTQOCXTTPXRHV-UHFFFAOYSA-N 460.604 0.731 30 20 JCED COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1833767423 YZCSDFUCUXUQAO-JPHKLTHBSA-N 462.503 0.689 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)Cc3cscn3)CC2)CC1 1835047616 RIRXAAOUFDQLSQ-XQQSMPNESA-N 474.631 0.443 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CN)CCO3)N(C(=O)OC(C)(C)C)C1 1835533090 LKQYMUQQCDOPCU-STSQHVNTSA-N 466.579 0.603 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CNc3ccc(F)cc3)C2)C1 1835673918 BEEJGCXUTWFDFF-QHCPKHFHSA-N 461.538 0.976 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1)C(=O)O 1835763773 NCETWXQLPAXSBX-UWJYYQICSA-N 498.458 0.710 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(OC)n(C)n3)CC2)CC1 1836201500 NOPNLUXIHHTKAL-WAYWQWQTSA-N 458.563 0.472 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836479126 AGJNLTGTYGXYAO-XLNZFTOWSA-N 478.590 0.830 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1836859138 QXNJSCLITFYNPW-GOSISDBHSA-N 483.631 0.695 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4ncccn4n2)CCO3)c1 1836871934 MHLQVFQEUSNRDL-XMMPIXPASA-N 476.493 0.993 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1837400614 IMLKTLJMVDKNPL-RAZUEPIFSA-N 463.575 0.417 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837427435 QLRKGZPSQFYTSA-NRFANRHFSA-N 472.680 0.929 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440729 VVTXXARNSBWAJC-ZZAWEDPDSA-N 452.552 0.646 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837441202 WYJUUAQFYVZGHP-YQNSVDCASA-N 493.586 0.027 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n(C)n1 1837488353 BPXKWAGUAXPDNG-HSZRJFAPSA-N 460.531 0.197 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837489375 DYADEYQGTQMYNP-HSZRJFAPSA-N 474.583 0.724 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837497412 UVXXDAUJBCRNEE-KDYSTLNUSA-N 497.592 0.960 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837525604 XPDXETAREQUNDY-UFZNEBFXSA-N 467.910 0.729 30 20 JCED CCN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837533205 KZVXSENPMHDULH-YZGVPZOXSA-N 466.579 0.704 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1ccccn1)CCO2 1837745241 MMANBHZUZBWPDO-JPYJTQIMSA-N 460.531 0.848 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838036835 IRQKLUJTKIXHRW-QOOAHNBZSA-N 454.478 0.820 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)CC1 1838300470 NUROEZDJZCLEBR-YZSQISJMSA-N 487.601 0.861 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C3)C2)c1 1838579365 JXNZZZCIZPKRJA-PMACEKPBSA-N 471.432 0.950 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838762745 MWSSYOUGGJCBED-GOSISDBHSA-N 461.441 0.876 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951382 NGEOJXMGLFGQST-BXKMTCNYSA-N 478.509 0.237 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1839131287 VXHIWVOAQIXRFE-QHCPKHFHSA-N 475.546 0.897 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](F)CN1C(=O)OCc1ccccc1)CCO2 1839221357 QFOWWTQKGVDZMZ-MZLICYQSSA-N 473.501 0.825 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1839226720 VPJIORPMHQROAX-LHSJRXKWSA-N 451.476 0.674 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc5cc([N+](=O)[O-])ccc5[nH]4)CCO3)C2)CC1 1839482450 MCTNWXKXULTKIB-OAQYLSRUSA-N 454.443 0.845 30 20 JCED COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)CC1 1839485917 CBILYNWORFFBPV-QHCPKHFHSA-N 453.499 0.931 30 20 JCED COc1ccc(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)CCC2)cc1 1840043806 VCAPQMSVLPZZKT-HSZRJFAPSA-N 456.495 0.661 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]34COC[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1840155840 DMOLSYZRRTUMKC-IFOZNXLVSA-N 499.630 0.645 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1840812256 HVHVQXKVUIEJTF-UUOWRZLLSA-N 492.573 0.773 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)C2)C1 1840840095 XMNBQEQAMBDFKJ-KBMIEXCESA-N 469.538 0.918 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1 1840907611 ZAZJYGRWJQSHEM-UZUQRXQVSA-N 475.546 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1840908816 HYVZWIQAPNMCKU-YZZKKUAISA-N 465.547 0.538 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)C(C)(C)O 1840916043 NNZAAFULDFAARV-OSPHWJPCSA-N 494.589 0.801 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1841055285 OUEQRXBDPQWXBV-XBKFQHLESA-N 462.547 0.732 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)C1 1843992194 RFEQOOXGENAYFN-INIZCTEOSA-N 472.546 0.884 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1845223203 ZKKHIFRCPCBPLU-ROXVCHECSA-N 468.551 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](COC)NC(=O)OC(C)(C)C 1847261240 BEIWKGUJNRDWHT-FUYDUDRRSA-N 450.536 0.586 30 20 JCED O=C(C#CC1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1847747526 XKOYOPFCHUHBGQ-IRXDYDNUSA-N 465.535 0.893 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1 497576384 HWMCRRRHYNJWEM-UHFFFAOYSA-N 467.576 0.307 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n(C)c1=O 499482137 WPPSZFNQJFHYQA-UHFFFAOYSA-N 458.482 0.202 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 514906860 APKLEJYDWKACDK-UHFFFAOYSA-N 465.539 0.706 30 20 JCED Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)cs1 518714158 CCWYPSSBLOGHSZ-UHFFFAOYSA-N 459.597 0.303 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCNS(=O)(=O)CC)nnc12 522670901 PQVSPCFWADVYAA-UHFFFAOYSA-N 464.573 0.768 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1=O 523378468 RMOVMKMTSZATOJ-UHFFFAOYSA-N 482.497 0.545 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc(Br)c1O 524281220 MKVNJDLSLXRRDS-UHFFFAOYSA-N 480.340 0.600 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)CC2)cc1 524419114 XBHQUDPBNZWPTB-LJQANCHMSA-N 461.588 0.663 30 20 JCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592993910 CGZUADXVHGZORH-UHFFFAOYSA-N 454.487 0.011 30 20 JCED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 603521368 NRTJLOQYDKACEI-UHFFFAOYSA-N 456.524 0.968 30 20 JCED CCCC(=O)NC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 603682326 HTEJXXWFWAOSFV-UHFFFAOYSA-N 461.588 0.772 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCNS(C)(=O)=O 608912770 BYCNMLFPHYTCBA-UHFFFAOYSA-N 478.552 0.485 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccnc2OC)C1=O 726401519 AQTWQHJPZMSLRV-XGTYDZQNSA-N 477.568 0.874 30 20 JCED COCCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 730725127 QZIRJOCTSNVXBV-UVPKWBSNSA-N 492.583 0.989 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 751387924 JBVBNKBCGGRKQZ-SFHVURJKSA-N 484.582 0.983 30 20 JCED C[C@]1(c2ccco2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 756769592 GJJKRNBBJRLWJL-OAQYLSRUSA-N 471.495 0.451 30 20 JCED CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 769639881 AULWQQPSPKNSHN-AWEZNQCLSA-N 451.501 0.570 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 901415291 HWOIKFXKWTWLKQ-ZDUSSCGKSA-N 452.489 0.035 30 20 JCED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 916903998 YVNNDCYSCLAMGN-NSHDSACASA-N 458.862 0.752 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 919206864 JBRVOVCUGJYYCN-UHFFFAOYSA-N 476.305 0.357 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)OCC(F)(F)F)CC1 919557898 HOBAQZVEYCXULY-UHFFFAOYSA-N 492.432 0.223 30 20 JCED C#CCN(CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 920200985 WNGRDISTCXLAHY-UHFFFAOYSA-N 450.561 0.974 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1297695926 RMRXVCRTLSTGGN-HNNXBMFYSA-N 453.546 0.512 30 20 JCED CN(C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1297935669 LWSCPYISQPFFGL-MSOLQXFVSA-N 495.606 0.131 30 20 JCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1302979191 OLAVEMNMCQCNQJ-GRDNDAEWSA-N 480.488 0.885 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1303461377 WAHWVNRGBDYNRL-DFBJGRDBSA-N 497.600 0.915 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1315072677 RWRSKZSZXXWJHW-QAPCUYQASA-N 464.548 0.518 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1510218024 MFOUHAMPLIHVES-NVXWUHKLSA-N 496.638 0.932 30 20 JCED CC[S@@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1516869377 IFBODGITHYILKB-WTPASJBYSA-N 480.616 0.888 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1547746450 MATMDCVKCUWFMW-KRWDZBQOSA-N 482.593 0.632 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1555817949 MFCHZSRZTHRGIF-SFHVURJKSA-N 459.576 0.524 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCO[C@@H]1C 1692346949 SUHFFXYCCYHPJD-LQWHRVPQSA-N 484.623 0.917 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nccn1C(F)F 1692792055 BYRQRLIXFAWGNP-OCCSQVGLSA-N 469.522 0.705 30 20 JCED N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(=O)NCC(F)F)CC2)nc1 1698489448 QOTDEKUYHHFVHL-OAHLLOKOSA-N 494.528 0.155 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)c2ccccc2)CCO1 1712884577 OLJMFBBWRGQKJB-HZPDHXFCSA-N 465.557 0.383 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1767838574 LLOHNZKMNIQGLY-QFIPXVFZSA-N 455.519 0.996 30 20 JCED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1771539330 UIQARBGJYDJAHS-AWEZNQCLSA-N 454.457 0.256 30 20 JCED O=C1COc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)cc2N1 1778574549 JNZFBKNZROIZFH-VWFXZRFKSA-N 472.498 0.990 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781301377 ZIHWJDKKPGSVCJ-UPCLLVRISA-N 480.500 0.678 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)COCCO)C3)C2)N(C(=O)OC(C)(C)C)C1 1781321380 KQXRZMXNXLCDEH-HTAPYJJXSA-N 453.536 0.391 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781339645 GGGVQOWMKJMCLC-MYLUVWHHSA-N 478.546 0.804 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(C)=O)C1 1781764835 ISTOOIQWLGZWAU-PMAPCBKXSA-N 464.563 0.553 30 20 JCED C=CC[C@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2)NC(=O)OC(C)(C)C 1783095427 RASKUUXKYDUBJX-OIMFZILRSA-N 467.611 0.646 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1783862883 RAIKTKAAMPFPHZ-ZSGWMULLSA-N 491.676 0.946 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCS(=O)(=O)CC4)C[C@@H]32)c1 1783912874 JPBLKYPKBDIYNW-FKBYEOEOSA-N 488.610 0.201 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784741348 LTYQGPMYXXXJPV-KKSFZXQISA-N 473.592 0.720 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785587879 ZEIMWKPOZWZKQM-QZHFEQFPSA-N 465.572 0.652 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1785624115 RYAURWOOTNORQJ-WAIKUNEKSA-N 494.593 0.708 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786893952 KCDRNKJLRJVIFG-GMOHSKTFSA-N 493.605 0.028 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787493382 UGHMGNYSUBEPIW-DMXCXFHSSA-N 469.567 0.883 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C[C@@H]21 1788575445 JRNRZBXDQYRBHE-TXTPUJOMSA-N 458.559 0.753 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789934613 YMGZZTHMQBLQKI-RDGPPVDQSA-N 497.589 0.751 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791258235 HBVLOLCDRFWADI-JBFTZNNSSA-N 491.676 0.946 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)NC=O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791379053 TUYVQOOZXRPDNM-VMXHOPILSA-N 464.563 0.666 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1792258136 TWOYQMHEAUDPEM-JKQORVJESA-N 489.529 0.398 30 20 JCED O=C(CCN1C(=O)Cc2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1793051992 CVTSEMILPYXAIJ-NQVRDEPNSA-N 492.532 0.903 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccn(C)n1 1795814917 HIVJJIZHYQJJGI-YNVMFWSZSA-N 459.547 0.469 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1797744161 SUKDZSNOFYSKCM-ILMOZUTHSA-N 452.559 0.814 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)C2)[C@H](O)N1CCOCC1 1797810180 RMZXFKVDOGYMCD-GIBNYFNHSA-N 489.572 0.940 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CNC(=O)C(F)(F)F)C4)c2c1 1799885375 FPRHHNYVVWAKLK-DRXBFXEBSA-N 464.404 0.316 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(C#N)c[nH]3)C4)[C@H]2C1 1800723039 CRVCBNWYDZJGSB-GOGWGUGKSA-N 499.568 0.971 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2)NC(=O)OC(C)(C)C 1801930463 IULHZOWBVBJQDB-CLWJZODNSA-N 487.619 0.870 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1810287545 BBCXHCVBEKJJHU-JZUGSGHOSA-N 451.531 0.816 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2c2cccnc2)CC1 1811536026 BBTTWTBZOGBZSY-NFBKMPQASA-N 463.542 0.765 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)c1 1815064535 RVULCQMUIQIMBM-UKRRQHHQSA-N 456.528 0.842 30 20 JCED COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2 1820185157 DLNBCMKIVFTPRY-DZGCQCFKSA-N 450.565 0.488 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)[nH]n1 1822199246 FZAUUOPOLFESIC-QGZVFWFLSA-N 479.497 0.525 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827994632 QHPLOYOAPAUGHH-DOMZBBRYSA-N 461.544 0.899 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)CNC(N)=O)sc2C1 1828329027 FVBFKEZQTAJTGM-AAEUAGOBSA-N 464.548 0.640 30 20 JCED C=CCOCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829044635 OWLLGEXOONTQSW-OFVILXPXSA-N 487.601 0.707 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cocn3)C2)C1 1829332545 RPAYVOBFPRSBFJ-HSZRJFAPSA-N 466.450 0.828 30 20 JCED CO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334927 QDGNEHZBBLZOMZ-UZUQRXQVSA-N 457.483 0.561 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1831209274 KGPCBSBIROLGIC-QHCPKHFHSA-N 455.536 0.933 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221711 ZSADBLLPOTVROB-IMWIBFENSA-N 477.558 0.227 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC(=O)OC(C)(C)C)C2)C1 1831388799 XRGSNRGKPSXPJE-WZONZLPQSA-N 452.548 0.993 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1831390891 ABHDLOSAOJGOFV-MBSDFSHPSA-N 478.567 0.127 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1832000523 RNAFPPQWLZLCJO-DGGJZMOXSA-N 480.562 0.048 30 20 JCED C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)C(F)(F)F 1832149906 RPEXAASGCNSGRO-WOJBJXKFSA-N 455.433 0.870 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnc(OCC)cn3)CC2)CC1 1833073706 AHUSYBOIBYLMTR-WAYWQWQTSA-N 470.574 0.919 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)c1 1833399787 GEUXVOLCWKWYLI-HSZRJFAPSA-N 484.534 0.741 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833786314 ULSDRFKDTYTEJX-LJQANCHMSA-N 462.551 0.936 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cccnc3C(N)=O)CC2)CC1 1833918910 WBPDIXBNUPGHRD-IBGZPJMESA-N 457.575 0.939 30 20 JCED Cc1c(Br)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)nn1C 1835358624 HONONCMZUDYRPB-SFHVURJKSA-N 454.325 0.865 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835800246 NLYRSWWZADEJBR-NYHFZMIOSA-N 493.586 0.712 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1Cl 1836227419 YZCZFWQKBFGOLM-OAQYLSRUSA-N 466.970 0.977 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320917 XUMJYPDUFOKBRT-OAQYLSRUSA-N 497.474 0.957 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1836470261 NCTPQVORUQCEAH-XTXAWSSWSA-N 490.513 0.452 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836811438 QZGZJYZVDQCOBF-IQCWKEAXSA-N 472.502 0.557 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1837403880 VCNLNJCWHAJVFG-YKSBVNFPSA-N 475.542 0.994 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837445389 WISSIRMTBGWUAM-IIHIVLJSSA-N 473.559 0.628 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837531855 YNABTEHGSSEWAY-DYDKCZJOSA-N 486.529 0.257 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Cn2cncn2)CCO3)c(C#N)c1 1837647847 YFDBLLSPNFROKQ-MHECFPHRSA-N 482.541 0.494 30 20 JCED CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1837770104 NPPARPXWEWHKLK-DOAWATSRSA-N 459.565 0.559 30 20 JCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n(C)n1 1838043317 MEKBIQUJBVCACZ-DEOSSOPVSA-N 458.559 0.751 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3NC(=O)C4=O)CC2)CC1 1838347714 LLJUKEUBTPVHOJ-UHFFFAOYSA-N 453.451 0.522 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)CC1 1838386986 XMGODNOXDWEUBR-IBGZPJMESA-N 476.574 0.829 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)cc4nn[nH]c34)CCO2)C1 1838617733 DVVKJEOKNMHUHS-SPLOXXLWSA-N 461.906 0.720 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1839117681 BEWCJKPCWVRUDB-WPGPLNCSSA-N 478.590 0.990 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423157 ZWKGOKONSUMNOH-BTYIYWSLSA-N 483.974 0.962 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(=O)c5ccco5)C4)C3)c2c1 1839487456 JEXNPUSRLUNSBS-HSZRJFAPSA-N 463.450 0.980 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839959154 AVYDMRALJHPSOI-BZOGRRMQSA-N 458.559 0.518 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839987876 KBABDUXLBJQHQE-DEOSSOPVSA-N 479.574 0.666 30 20 JCED CC(C)c1nn2ccccc2c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041700 CPWNFECWNDZCCB-QHCPKHFHSA-N 454.483 0.616 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(C)(C)C 1840043445 ZEJWBZLSWCKEEW-XDHUDOTRSA-N 495.573 0.860 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840157478 QJTAEOCZTDXTSB-FSBGXSNOSA-N 487.619 0.786 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)c1ccc(F)cc1 1840162678 FCTMGFHHIBDXSZ-IBZMOEQTSA-N 453.536 0.778 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)c(O)n1 1840177550 CPOQWIZOGJQTHL-ZEQRLZLVSA-N 491.541 0.592 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1840295940 NNOQJZMWTHZGIB-FQEVSTJZSA-N 453.586 0.497 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ncc[nH]4)CCO3)C2)c1 1840325878 YKNUVLKAJJGOQS-HSZRJFAPSA-N 453.499 0.993 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(C)=O)C2)C1 1840907409 UNSMIVRFOPYQCG-FDDCHVKYSA-N 465.547 0.729 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)[nH]n3)C2)C1 1840908668 GBZUHBGOMTWTGA-HXOBKFHXSA-N 475.546 0.705 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841847970 BBFFRFZSWSAFQZ-GOSISDBHSA-N 483.525 0.613 30 20 JCED CN[C@H](CC(=O)N1CCCC12CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2)C(=O)O 1842952391 QYKCXNKUHISDAO-MRXNPFEDSA-N 477.562 0.793 30 20 JCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@H](COC(C)=O)OC(C)=O)C2)c(C#N)c1 1844287294 NHQMQPBFGCMHHZ-FQEVSTJZSA-N 457.483 0.808 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1844287783 PSXCMQGMHGXKFP-SFHVURJKSA-N 453.455 0.746 30 20 JCED Cn1c(=O)c2c(ncn2CCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n(C)c1=O 16260079 NWFWTLVVAJVTLA-QGZVFWFLSA-N 453.478 0.372 30 20 JCED Cc1nc(S(=O)(=O)NCC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1C 116506255 VILXKZHJDBBAIF-UHFFFAOYSA-N 474.522 0.535 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O 524281141 INBSVGQYRVUGEO-UHFFFAOYSA-N 454.430 0.321 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 608913145 YKKIYKLRZZKJHN-UHFFFAOYSA-N 462.597 0.043 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc2c(c1)OCCO2 619538716 NYGLJHXJJCFINS-UHFFFAOYSA-N 467.503 0.837 30 20 JCED Cn1[nH]c(Br)c2c(=NCCNC(=O)CNC(=O)c3ccc(C#N)cc3)ncnc1-2 729542634 MAUCSCRDOYMXAE-UHFFFAOYSA-N 457.292 0.329 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC(F)F)cc1 839310819 XDYVFHIMTZIOFC-CYBMUJFWSA-N 489.504 0.888 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1=O 915794698 RMCIYMOSDVWRIL-UHFFFAOYSA-N 455.496 0.839 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 917276407 GKBDFIKKJVDYAR-MRXNPFEDSA-N 492.579 0.499 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1301044964 OUTFYHHDWJDOAR-CVEARBPZSA-N 460.988 0.668 30 20 JCED CN(C)S(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314678427 NRTIPNHDRLLTGM-INIZCTEOSA-N 492.631 0.338 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1465744885 SRKFIOPKKISSJS-ZFWWWQNUSA-N 452.533 0.866 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CCO1 1508382205 ZRYYFFRYIMSLEX-JOCHJYFZSA-N 480.573 0.322 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1519164717 KZPWMBUUZAKQQX-HZPDHXFCSA-N 458.610 0.731 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCC2=O)CC1 1519606945 QYYJXSSFYIVHBM-UHFFFAOYSA-N 457.560 0.957 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)[C@H](C)C1 1539579905 RXXBPIJIMOONDN-KGLIPLIRSA-N 465.418 0.954 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1=O 1555582226 LUEMZGNEAPWUSA-UHFFFAOYSA-N 475.575 0.440 30 20 JCED CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1691419904 KIKIRTMMNHJWER-QFIPXVFZSA-N 472.571 0.671 30 20 JCED CN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)CC(F)(F)F 1696816870 ULJHYGBXYOTKIY-BBRMVZONSA-N 483.492 0.547 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cnccn1 1705687932 LRHDPWGOAKIQAY-HNNXBMFYSA-N 486.396 0.989 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1706078494 XRAJPTRKOOQSGD-HNAYVOBHSA-N 487.586 0.541 30 20 JCED Cc1nccn1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1725744150 PNBFBEWYKPTUQI-FXAWDEMLSA-N 462.580 0.946 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1746047553 HNQGKJCXYSCHGA-XMMPIXPASA-N 467.574 0.959 30 20 JCED Cn1cc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)CCO2)cn1 1769010956 FZMXMOBWEFTANO-GOSISDBHSA-N 456.532 0.677 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1771361754 QJIVVKUIPBSELZ-QZTJIDSGSA-N 457.560 0.942 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)ccc21 1777866562 VKDFIIXPANVRFF-FZZUMWNJSA-N 485.541 0.850 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779365666 BRJGCYUARJKRGO-RCMSRTDESA-N 452.625 0.456 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1781169434 PWOUARYCQJBALP-YDLHNXBPSA-N 478.590 0.236 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)ccc1F 1781300767 DUEJSLLTAIIWFM-JOCHJYFZSA-N 453.430 0.872 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1782177585 GOBJUHPILAJAAT-LXHZQTKUSA-N 468.470 0.773 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782559340 OTQJZNJIOSEGTA-IYZQMXKPSA-N 456.547 0.021 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]21 1784787341 ZGEJIZQXFMXCEV-ATIWLJMLSA-N 466.579 0.947 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCS(=O)(=O)CC4)[C@H]3C2)cc1 1785030995 JUBMNHJCINKAPY-FKBYEOEOSA-N 488.610 0.201 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1785379046 FPYCSOWBGVXHRY-HSZRJFAPSA-N 490.582 0.439 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1785574595 NOSGOJTXRFINFY-JPYJTQIMSA-N 459.547 0.938 30 20 JCED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622366 FYNOKYSLXBWGGM-ZHRRBRCNSA-N 467.567 0.734 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787430829 LSABNTSLYHBMPX-ZVZYQTTQSA-N 453.455 0.432 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1788601740 VFHVFWVODYZBKB-WHCFXRPQSA-N 455.519 0.500 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1ccc(C2(NC(=O)CN(CCO)CCO)CCC2)cc1 1789562634 PLJQNLBIDYNJKE-ZHNJOBQTSA-N 462.547 0.936 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789841378 IASXVKXOFRFKEH-OQRYQMPQSA-N 471.558 0.797 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)O)[C@H]2C1 1791056464 RSHHGEWCWXOGIB-FPSMNIFISA-N 498.577 0.152 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21)c1ccc(O)cc1 1791335194 XPUNXSZDGQPAJB-ZFMNYDKASA-N 482.537 0.421 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CSc4nc[nH]n4)[C@H]3C2)c(C#N)c1 1791558137 VXIWGLOAUVWFQY-SNRMKQJTSA-N 470.555 0.999 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1792256723 INGUVFOONSGYMN-MUGJNUQGSA-N 472.542 0.830 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3O)C[C@@H]21 1792256960 NALYRBQEJRLYDK-DKIMLUQUSA-N 473.530 0.692 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccc(F)cc1)C2 1792489624 AGAUBSDTITZJPP-FQERERFUSA-N 472.517 0.392 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3CC3)=NO2)C1 1793261771 PXMNZGHLLNOUJN-XEMDLRDOSA-N 472.542 0.755 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)C2 1793316330 LOWDAIXQQAAXHS-KBMWQNTOSA-N 492.598 0.876 30 20 JCED COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1796587139 LFYNKNBBPRQMAA-RMFSNUHRSA-N 453.499 0.927 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)c3ccccc3OC)C1)C2 1797704648 USOVBYHOFRPEHZ-GMQQQROESA-N 485.581 0.930 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797784457 GNEBATQMLGLDDJ-JTJHWIPRSA-N 493.601 0.550 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)N2)C3)ccc1Br 1799708571 ZBSPESDIBSNTCF-CXHZTBPHSA-N 461.316 0.803 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1OC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]31)C2 1800454971 VVJOYHRRAGEDCG-IAPNPCGSSA-N 461.559 0.871 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800778961 YYEAJSKUHQYGMY-PDOICOKGSA-N 463.531 0.701 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1800801738 IPBMZPYKYOBNBE-KYHPRHEASA-N 478.546 0.726 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801994635 YHRULPWVTWUIOW-CVFMPKEZSA-N 477.521 0.740 30 20 JCED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1803453988 KOPZLNBWZBJQPA-AWWSKVOZSA-N 495.605 0.681 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c(C#N)c1 1808165134 TYZZAWFKQIIUJF-XTQVGHSUSA-N 490.520 0.808 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185822 UYSJBAOOMFDXBJ-ZEUIOTOJSA-N 487.607 0.806 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)[nH]n1 1822197096 JMKAHMDBSADIBB-NHYWBVRUSA-N 454.443 0.496 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)CC1 1828921570 ZAVMXOVHXVXEKG-KBMIEXCESA-N 479.537 0.878 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1)n1cnnn1 1828922579 LWHPEQWQCXVFTN-UUOWRZLLSA-N 492.540 0.990 30 20 JCED C[C@@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC#N)C2)C1 1829226701 NJPSOGNXRYWDGT-WZONZLPQSA-N 455.515 0.877 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1829333549 ACWDXMQWYOGHDV-BBVKZKKFSA-N 481.505 0.419 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)n1cncn1 1829635488 JNKPUOBAQBZOCS-WZONZLPQSA-N 452.515 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)C2)C1 1829764755 UPZSRAGFUFOUIF-UZQCKINESA-N 490.488 0.591 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(OC)cccc3OC)C2)C1 1829768584 BSDQLFVYCCLDCJ-HMLKYZKVSA-N 473.526 0.632 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=C/c3cccnc3)C2)C1 1829773669 PZKFLJABGBYTNE-MZUYNVLQSA-N 454.527 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COCc3ccc(OC)cc3)C2)C1 1829773738 SGFMTPPOIKUDNU-RRFNBQSRSA-N 487.553 0.527 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1830640714 GLGWVRQEKKIYGQ-NZQKXSOJSA-N 466.531 0.706 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1831418113 AKMKYWGLEWXCPT-IERDGZPVSA-N 451.545 0.525 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831432542 AQOKWARXZSVYMY-PNCHPQGNSA-N 485.578 0.310 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1831438044 KMBRTLOTKNZMFD-JREJRMLUSA-N 462.499 0.864 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1831723604 PRECBUHTOZTOCG-AQOAWAETSA-N 466.535 0.381 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1831999336 TWPIEYVVEAFLDC-UZUQRXQVSA-N 465.547 0.891 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832205692 NZIYJTSJCDOICL-AUSIDOKSSA-N 457.531 0.461 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1832446816 HITBNWCSZIRIOA-JPYJTQIMSA-N 499.630 0.998 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1833238419 LQICXFYFIIRNDI-OAQYLSRUSA-N 474.005 0.856 30 20 JCED CN(C)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1833362586 NWVPIDAGRWWVJQ-XTVKVDEJSA-N 458.563 0.689 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833514456 KSSNRWQGODDNSA-MOPGFXCFSA-N 491.589 0.583 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)c(C)nn1C)CCO2 1833709529 MJSWJJIBDKYPGG-OAQYLSRUSA-N 452.483 0.447 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835338878 XAYHYLFFFHMWRK-SBUREZEXSA-N 478.546 0.382 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1835682227 CEEIGIUWWAEUDV-JOCHJYFZSA-N 473.509 0.220 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835715367 AEPDZOKKMWZYHY-JOCHJYFZSA-N 477.650 0.295 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1)c1ccc(O)cc1 1835765668 CQKRYAHMGVFCKQ-OWHZGTRUSA-N 487.553 0.408 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c3ncc(C(F)(F)F)cc13)CCO2 1836965343 MVHILKRPSIYUJZ-FQEVSTJZSA-N 480.399 0.740 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836977096 BPGCVRUTHXRPHG-DGEAWOGYSA-N 458.563 0.761 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837206729 PNOAMXMNCIOUST-WMDOEDGGSA-N 481.527 0.008 30 20 JCED O=C1Cc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)ccc2N1 1837491532 OYPAZSJXGHJCPU-SANMLTNESA-N 481.549 0.950 30 20 JCED Cc1cccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837524943 JQCODSIYQJTGGR-KDYRRFBVSA-N 460.531 0.918 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc(C)[nH]n4)CCO3)C2)c(C#N)c1 1837589179 QMDMNYMEQFFDDV-XMMPIXPASA-N 467.526 0.840 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cnncc5C(=O)O)CCO4)C3)c2c1 1837949780 VWBMXRADVXDRHO-HSZRJFAPSA-N 491.464 0.307 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(=O)Nc1ccc(F)cc1)CCO2 1839028600 LXKIOFNGTLWULR-IBLIISRWSA-N 488.516 0.469 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)N1CCN(C)CC1 1839103271 KLOOAJJNBQLIEM-MHECFPHRSA-N 473.549 0.403 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CCO3)C1 1839108573 KKKDMQKULUQAKH-JXQFQVJHSA-N 479.574 0.637 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)c(C#N)c1 1839132442 GXWORJPYVXAWFN-JOCHJYFZSA-N 456.455 0.573 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839175041 LSCPFYPCCJXQLW-SFHVURJKSA-N 466.409 0.058 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476866 MJAJKCIMYLWOMO-AUSIDOKSSA-N 498.573 0.872 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839498731 OPIQUAFJQPXWFX-FPHRNUPISA-N 471.514 0.933 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839519238 CIGRUVAXYQKULJ-XMMPIXPASA-N 481.509 0.686 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1C(=O)N(Cc1cccs1)CC3)CCO2 1839620258 GWGDCNIBBUGMFH-HSZRJFAPSA-N 498.565 0.584 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1)C(F)(F)F 1839718650 GMJYMVGKFIEIRO-GOSISDBHSA-N 474.392 0.331 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)c(O)n1 1839720762 UIEFFDFZBRESQI-HSZRJFAPSA-N 455.515 0.942 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)CCO2 1839787186 HHKBCBPAIGQFNI-IYZQMXKPSA-N 490.488 0.591 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)NC(C)=O)CCO3)c(O)n1 1839876736 YNTHFLJOINGWLG-WAIKUNEKSA-N 460.531 0.500 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840045275 AZQNFFIVWIRWMB-UZUQRXQVSA-N 479.530 0.320 30 20 JCED CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840087618 IZNVMKUFYKMPAO-UZUQRXQVSA-N 481.546 0.470 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840158030 GEKGBJGCCZNJAO-IIBYNOLFSA-N 487.619 0.523 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)NC(=O)OC(C)(C)C 1840165076 VTWSHCNOIAVALU-VTJXTGGHSA-N 489.591 0.218 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1840169284 VACLWJPEFKJNHE-QHCPKHFHSA-N 467.563 0.788 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Oc1ccccn1)CCO2 1840426598 FJGXGVNSOHUYIM-FDDCHVKYSA-N 461.515 0.815 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840817988 DWDHXHSKQLEEML-QHCPKHFHSA-N 451.483 0.426 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1840818501 GPMSAOQOSIBNLD-DEOSSOPVSA-N 466.494 0.867 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1cccn1 1840820617 ANTTWKXUORCJAD-FDDCHVKYSA-N 453.499 0.851 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3c[nH]c4ncccc34)CCO2)C1 1840869885 YMRWFJQCLBFIQW-MHECFPHRSA-N 454.527 0.990 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCc2onc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)c2C1 1843115415 KAZUHJLAKRVQNK-CQSZACIVSA-N 472.498 0.962 30 20 JCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)c(C(F)(F)F)n1 1843169381 KQGGGQYQJIXJHN-QGZVFWFLSA-N 453.421 0.440 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C=CCN2)C1 1843332905 IQLCTGVKHGVDEX-DLBZAZTESA-N 477.562 0.523 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1845131843 XLVPHXBMBHUAFR-MRXNPFEDSA-N 475.546 0.438 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1846365617 HNANAEONGOIFAJ-GJZGRUSLSA-N 495.533 0.104 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)OC(C)(C)C)C1 1846534360 HFPMQCUETJSYGG-ZEVQVBBLSA-N 486.573 0.907 30 20 JCED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846980532 JMORHLYVZPLTRP-UHFFFAOYSA-N 475.542 0.837 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 18447239 VYDGCNNPMZPOHZ-HOCLYGCPSA-N 458.558 0.732 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 24380202 INMVCOSFXGCCCO-ZDUSSCGKSA-N 455.493 0.310 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 495198952 CQEPMHSADQBRLR-UHFFFAOYSA-N 458.496 0.843 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cscn3)c2=O)cc1F 497551332 FTLNVFGUVZIQRN-UHFFFAOYSA-N 499.593 0.755 30 20 JCED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 514350496 ICKGAUPUPPWSKD-AWEZNQCLSA-N 468.514 0.470 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCc3noc(C)n3)cc2)c1=O 516829842 YROHYDPPTRSMOP-UHFFFAOYSA-N 481.534 0.632 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)CC2)nc1 517333601 LXNRNWHYOCLWFP-UHFFFAOYSA-N 454.512 0.780 30 20 JCED CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 521298468 ZFGCWEOHOUWEBH-UHFFFAOYSA-N 464.544 0.671 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)COCC2CC2)c1 749043015 LIPYFQRGHVABBA-PJWCADQQSA-N 452.533 0.342 30 20 JCED COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 821698082 KZVNMWIWXLIDTK-UHFFFAOYSA-N 467.481 0.685 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 895926615 IUVGTHLKFUDXNC-ZDUSSCGKSA-N 455.489 0.273 30 20 JCED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 919547957 IAWWFLNDMVIXHN-UHFFFAOYSA-N 467.530 0.542 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C1CCN(C)CC1 920399417 PZZQBPJXSLXDGZ-UHFFFAOYSA-N 475.640 0.987 30 20 JCED N#Cc1cccnc1NCc1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 1292655436 PKOJSKCQEWKABT-WOJBJXKFSA-N 455.540 0.793 30 20 JCED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1302979195 OLAVEMNMCQCNQJ-JKIFEVAISA-N 480.488 0.885 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2CCOCC2)C1 1316357254 QBYVDVDTGMOMTQ-QFBILLFUSA-N 456.544 0.870 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359143431 ZXDLIPPNCHCDID-LBPRGKRZSA-N 455.006 0.549 30 20 JCED CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCN(C)CC1 1505187855 OHXSDZMQRJJEEA-FUHWJXTLSA-N 496.707 0.892 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 1523933773 NXOUDMXDRKRBSU-QGZVFWFLSA-N 459.528 0.825 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1541927404 JOELBKCGKWUNRG-DNVCBOLYSA-N 456.592 0.356 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1552888135 PJLJQIFXBDASMM-UHFFFAOYSA-N 485.549 0.964 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1 1617869600 DDIGVRCBXSJNIZ-RXVVDRJESA-N 476.559 0.270 30 20 JCED CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1)S(C)(=O)=O 1618102345 KVZRUXSSTXMQCV-KRWDZBQOSA-N 480.616 0.969 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3cccc(OCC#N)c3)CC2)C[C@@H](C)O1 1631581757 MWQSBEHBYUJYIH-CALCHBBNSA-N 451.549 0.770 30 20 JCED N#Cc1ccc(OC2CCC(NC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)CC2)nc1 1680623951 WSELAWIOMHHIGE-UHFFFAOYSA-N 456.547 0.829 30 20 JCED CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1709938729 SSUUUVDNEFKABS-SFHVURJKSA-N 478.600 0.866 30 20 JCED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722476929 MAYNRWKTXWKPSS-CYBMUJFWSA-N 461.386 0.941 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 1741068165 URRMZFCHPLDKNI-GOSISDBHSA-N 480.573 0.560 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCOCC1 1749097255 QVXKSRNNGRTHKD-KRWDZBQOSA-N 456.503 0.843 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1751232992 WHKPPOYBLVRAOA-WMZOPIPTSA-N 492.650 0.713 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1 1770675508 MIHPKSXWFYNLFN-UHFFFAOYSA-N 465.436 0.790 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779207011 RBQYJMVEOSCMSA-VJZOZWIFSA-N 456.499 0.140 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1779331592 YRUWUZHEGKWGDJ-NDBKNAECSA-N 483.606 0.959 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)ccc1F)C2 1779555869 LCIPQCWAUOJXHR-TXTKFYIRSA-N 460.506 0.976 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780159118 VUVBJYVEAPHQEW-DVECYGJZSA-N 460.527 0.852 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)CC1 1781045315 MNTZADXODNHIKT-XFAGBWLFSA-N 491.589 0.080 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)c(C#N)c1 1781173689 VJTCDCNDDFWKNL-VWLOTQADSA-N 492.536 0.583 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1781289812 BRBJHKZGYDQYKJ-QQMNAOGKSA-N 481.594 0.269 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1781696519 GCJOABIXSFEHDC-XCGNWRKASA-N 451.520 0.590 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781794037 PTSOCCMITKBNMQ-UQBPGWFLSA-N 499.568 0.965 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 1782453423 YHKFUOWUOJUQDP-GWJQCHOBSA-N 455.559 0.887 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)cc(C(F)(F)F)c1 1783261388 KEVONYJVVHZFRR-NRFANRHFSA-N 484.475 0.307 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783601587 ZXFYJISPCWLIOZ-SBUREZEXSA-N 463.531 0.686 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784747036 NTLCRUCTXVXEBH-FDDCHVKYSA-N 499.630 0.948 30 20 JCED C[C@@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21)C(F)(F)F 1784872718 HRAUHELVAKLBFD-DWURIKNASA-N 468.322 0.635 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1784951605 USOXZCVNDHEWSN-NKCWYTJXSA-N 460.512 0.019 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785221492 GLVMSEKFYVTOOW-RUZDIDTESA-N 479.537 0.841 30 20 JCED Cc1nc(O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)nc1C 1785574098 QHOKDPJXOQISFX-ACJRDWDUSA-N 461.519 0.921 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3CS(C)(=O)=O)C[C@@H]21 1786857523 RXLVJBQFIWGZIA-QRFRQXIXSA-N 491.614 0.501 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787387290 FQWLKOJGISANMH-XIRDDKMYSA-N 457.487 0.538 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787496821 WSIWNAKDWGCKOO-ATCHWDNASA-N 454.552 0.820 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)CC1 1788247937 COZLKHZZHYDMNU-FUDKSRODSA-N 483.569 0.081 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1788631190 AAEZZMCWOKFFNE-BJLQDIEVSA-N 457.527 0.688 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1788678936 SGORAIQPVVUMOP-UTCVTCNTSA-N 461.544 0.481 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cc(F)c(F)c(F)c3)NC(C)=O)C[C@@H]21 1790793556 GUKOLOZZMIITNE-SAKMYQHLSA-N 451.445 0.764 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1792563719 BKFODSZHVLQFRR-TZNCHREMSA-N 493.568 0.676 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1792884545 QOUSMMHESBMLMA-XAPVIXHLSA-N 486.569 0.966 30 20 JCED COc1cc(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)C#N)C4)CC2)ncn1 1793132766 OOIAUIBZHMJNGD-XEMDLRDOSA-N 456.547 0.841 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1793599864 HYXWXJJAHYUQHQ-BBPSPNIXSA-N 483.562 0.661 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1795598244 LFSFKJCATSMGFP-ZSBIGDGJSA-N 452.405 0.213 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(I)c(CC)nn1C 1795908230 KJMLBKRATVEQTG-QHBPRCKVSA-N 456.284 0.424 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1799304438 QZGHRBLGBGFRLY-VBRUWADQSA-N 495.573 0.313 30 20 JCED CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)CC1 1799325119 BKYWLBYUCQWKBB-IRJINJETSA-N 457.550 0.467 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)c1 1800284865 BXLNOQUNOPAQAX-RMFSNUHRSA-N 465.466 0.840 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1800710241 ZBHPRTMCFKYUOI-VXIBKDFQSA-N 490.557 0.380 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)n2cnnn2)cc1C#N 1801441610 WVUNUJWVANJRRQ-DEYWJSPQSA-N 453.503 0.796 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)Cn4cnnn4)[C@H]3c3cccnc3)c2c1 1807614343 WOGWCYNYSWMBJX-IIBYNOLFSA-N 456.470 0.836 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c1 1811406563 OSJOAWRNSZFDID-VGSWGCGISA-N 476.493 0.833 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@H]1c1cccnc1 1812408535 GXUUKVMUDFPWKX-HGHGUNKESA-N 467.482 0.896 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2 1826647114 GGPCKZNYYHHUQP-WMLDXEAASA-N 486.602 0.807 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC(=O)NC)C2)C1 1828579917 JSQGBQOHRLNSAZ-CLOONOSVSA-N 484.553 0.613 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1829267508 RCODTAWPYVJOJR-AUSIDOKSSA-N 473.551 0.649 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccc(Cl)cc3)C2)C1 1829762869 USGWGPSYBMSNNC-XBKFQHLESA-N 475.929 0.838 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3OC)C2)C1 1829770505 UUWDDXQMLMXXFB-YLNCNTMDSA-N 458.515 0.327 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829928053 NYMXQPSPYCECCR-AXHZCLLHSA-N 479.574 0.929 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1830716055 SIKFVDHHLQPDBA-RVEDCGPMSA-N 464.563 0.504 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCC(=O)OC(C)(C)C)CCO2)C1 1830798942 TVFHUDZXMDPUJK-MBSDFSHPSA-N 452.548 0.993 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F)CCO2 1831135903 PXZXGPAKSSQOQB-JLHGSKIFSA-N 453.511 0.671 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1831405960 NRDFFVCXLWQRKH-QHCPKHFHSA-N 495.598 0.679 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1831412463 PWHPHKQOBPCHMH-QHCPKHFHSA-N 457.531 0.711 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1831486733 FXINKHFJPRTUNI-QYWGDWMGSA-N 475.608 0.283 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)CCO2)C1 1831998725 RUCLENYPDZVJRO-IECBHUPTSA-N 479.574 0.951 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)cc1C#N 1835312317 QPTJACXWHBPSIK-DVECYGJZSA-N 470.526 0.694 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3nc4ncccn4n3)CC2)CC1 1835351682 OVWDEEQPUXKKGW-GOSISDBHSA-N 455.563 0.883 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1cccnc1)CCO2 1835680289 GQRPNDANDXTTRD-AWWPTUBISA-N 457.531 0.197 30 20 JCED CC(C)(C)OC(=O)N1CCC(CNCC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1835734107 BCQMGFNVTFJFEI-XMMPIXPASA-N 493.605 0.593 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)[C@H](O)N5CCOCC5)CC4)CC3)c2c1 1835766534 MBULMPKJVRVXSM-VWLOTQADSA-N 495.584 0.270 30 20 JCED NC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccccc1 1835817729 GKDPORRLVDZBEU-NQXOLCDVSA-N 454.527 0.897 30 20 JCED Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320962 ZVZNLCMHFWBINY-IBGZPJMESA-N 479.419 0.484 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1836842644 RLYWOQAOODSZEH-DLBZAZTESA-N 459.609 0.904 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1837524202 BQTCRVRRGDZZCJ-GXQZLCMTSA-N 467.563 0.771 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1 1837530957 ADUCUBSFLWFAFU-ZISMNVMJSA-N 463.491 0.084 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1837663153 RCZFCSQXQZOQKJ-QFIPXVFZSA-N 480.587 0.901 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc(O)[nH]4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1838071710 URXLGFQKOLNZNT-GAJHUEQPSA-N 491.545 0.751 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838118495 RSPKXXHHMFEJIU-UJBXUPAJSA-N 481.557 0.809 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1838501625 NKZOKOGSACBKKS-RUZDIDTESA-N 473.489 0.211 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)c(C#N)c1 1839131306 ASNQQRAXXKEPMI-QHCPKHFHSA-N 498.496 0.371 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cnccn4)C3)C2)c(C#N)c1 1839133323 LDBIFBSXMRXUOE-RUZDIDTESA-N 479.537 0.989 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839486232 OLHHMJRHDJCYCM-DEOSSOPVSA-N 482.541 0.811 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CN(CC)CC)CCO2 1839674235 OZHPBKFBXJUYEZ-UEAAHPPJSA-N 450.580 0.279 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c(C#N)c1 1839784184 SZERZHRSFMNYDP-OFNKIYASSA-N 491.566 0.143 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1)c1ccc(O)cc1 1840220021 UAOZNASIFQTQGU-BKMJKUGQSA-N 485.581 0.678 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H]3CCNC(=O)C3)CCO4)c2c1 1840234495 YAELGAVWSRVFSL-WAIKUNEKSA-N 466.498 0.031 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cccn1)CCO2 1840445440 VKRPWJPVTYADQG-AXHZCLLHSA-N 489.573 0.817 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(C)C(=O)CC4)C3)C2)c1 1840712648 PALPNEXABOWZSI-OSPHWJPCSA-N 467.526 0.992 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1)NC(=O)OC(C)(C)C 1840796032 PLXUHDZCAIYDGC-JPYJTQIMSA-N 468.595 0.864 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840908894 RHMXGDPNWBXFDC-QYWGDWMGSA-N 455.577 0.678 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1840912909 RVIXUUCYUFOWNS-PUZWTLIVSA-N 489.573 0.809 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840963412 BPRVVRSYKRCEAD-MHECFPHRSA-N 493.557 0.568 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1 1846211352 KKUAKIPYYJDKOR-HLRDLLSLSA-N 478.546 0.505 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 512362594 SQLIVOVYDQGANJ-UHFFFAOYSA-N 454.487 0.620 30 20 JCED Cn1c(=O)c2cc(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)n(C)c2n(C)c1=O 516577562 RAQYLSWTQJCYOZ-UHFFFAOYSA-N 460.498 0.578 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)C1=O 517849543 ZHYAGFSNDCUWNC-ZDUSSCGKSA-N 468.466 0.804 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCc1ccccn1 523578882 KHMQDOREHRGFQR-UHFFFAOYSA-N 464.547 0.822 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 603922332 MEGTVVLXNICDNJ-UHFFFAOYSA-N 469.523 0.381 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O 608912660 ZAPMXBINBHKQOQ-UHFFFAOYSA-N 475.368 0.719 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1=O 623224108 KQJRILUIFIEAJM-UHFFFAOYSA-N 478.303 0.998 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)c3ccc4c(c3)OCO4)sc(=Cc3cnn(C)c3)c2=O)cn1 726180435 JWHCCDHWPWMPQE-UHFFFAOYSA-N 474.502 0.964 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCS(C)(=O)=O 729671598 PQWNKDMGXPTJPX-UHFFFAOYSA-N 473.498 0.401 30 20 JCED CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 753420480 RWKSFUZAEBWUET-UHFFFAOYSA-N 479.536 0.354 30 20 JCED COc1cccc([C@]2(C)NC(=O)N(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)c1 774878492 BTXKXAPMMJSGLF-FQEVSTJZSA-N 457.468 0.344 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC(F)F)cc2)c1=O 838176108 QESACWGVRGTPNZ-ZDUSSCGKSA-N 467.494 0.812 30 20 JCED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 856409563 UKNLKLYCRVGUHZ-MRXNPFEDSA-N 466.498 0.929 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccc2c(c1)OCCO2 913300718 UUSWAVNJCMWQJG-OAHLLOKOSA-N 473.507 0.898 30 20 JCED Cn1c(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)nc2n(C)c1=O 916179812 AZEHOYGXDLDMEU-UHFFFAOYSA-N 467.385 0.641 30 20 JCED CN1CCN(C(=O)Cc2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 918381545 OMLTVXYPVOMTIG-UHFFFAOYSA-N 455.540 0.680 30 20 JCED CN(C)S(=O)(=O)c1ccc(I)c(C(=O)OCC(=O)NCCC#N)c1 919396302 FSYKCANAGICFAK-UHFFFAOYSA-N 465.269 0.728 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1 1298286585 XWQNEBPRNZSVLF-GHTZIAJQSA-N 492.627 0.987 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1299301353 MGTIVLCSGZUMQF-UHFFFAOYSA-N 470.559 0.985 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCSCC2)C1 1510292394 ONDPFYUPYFTUKU-YLJYHZDGSA-N 483.664 0.790 30 20 JCED C[C@@H]1CCCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1512186011 MBAJXXPCAXCBHE-MKXGPGLRSA-N 481.623 0.460 30 20 JCED N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1521136656 HEBHTNOIMICTMT-GOSISDBHSA-N 461.544 0.568 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1COCCO1 1611713674 MIEPJBPGPOETOW-ZYSHUDEJSA-N 476.559 0.753 30 20 JCED CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCOCC1 1611767216 JNPTXILGAJRHTI-AVRDEDQJSA-N 495.650 0.852 30 20 JCED CCN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1615625192 KREBQRORMLPIKM-MRXNPFEDSA-N 458.610 0.592 30 20 JCED COCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730633931 OPRVEJKGSVYRPM-VGOFRKELSA-N 454.535 0.610 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778752619 BJGYADFIOZIYCS-DYESRHJHSA-N 454.593 0.722 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1779041173 BMEWSZUJXHUDGG-OAQYLSRUSA-N 455.544 0.362 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779101887 UDLIGNJOZCIIJO-REWVYZQPSA-N 494.570 0.599 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337812 JSCUICWSRXIXMX-HXOBKFHXSA-N 489.529 0.786 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CNC(=O)C2)C1 1781782343 ZREVAXQROHGCIZ-FGDDKPPBSA-N 476.574 0.553 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C3)C2)c(C#N)c1 1781860426 HVYRMQVGMPXATC-YKSBVNFPSA-N 488.541 0.782 30 20 JCED CC(=O)N[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)c1ccc(F)cc1 1782013832 PKGCGJCCKZUZCW-JMUQELJHSA-N 459.474 0.605 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1783846706 OSXPLUQPEPSSGI-UATPHRJKSA-N 453.539 0.559 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784461031 LFHAIUFCBLIXDP-HXOBKFHXSA-N 473.530 0.602 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)C[C@@H]21 1784475216 XPRTYGBFZUTFTJ-PAPPXSOASA-N 491.610 0.680 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1784601535 RUOZKSLFZPHUAA-GWJPWWOOSA-N 452.515 0.967 30 20 JCED CN(C(=O)OC(C)(C)C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)n(C)n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c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1791261208 GWFUTXBCBFULNK-QCQGSNGOSA-N 456.528 0.482 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21)c1ccc(O)cc1 1791336838 MBLYJZHFYXVWRY-WAGURGNTSA-N 479.533 0.794 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792271875 UJSQJXVEKZJIGE-ATIWLJMLSA-N 482.578 0.326 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2 1793007833 SWRCCFREPSYCHD-YVSFHVDLSA-N 451.568 0.792 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793046501 KKGOQZABQCPKHN-MXRCOQMNSA-N 494.548 0.050 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccnc1 1793146835 JJEYIFSZPYPXJB-QTMHVTGLSA-N 459.547 0.950 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NS(=O)(=O)CC)C3)c(O)n1 1794488566 IJMNMGFENRTHFC-GGXPGOJBSA-N 480.587 0.437 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOC 1795353123 VBFOEIKYKIQIDD-ZMMAXQRCSA-N 455.552 0.708 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)OCc2ccccc2)C3)CC1 1795413349 AFDMLUVGXBCMLD-SSTJLMRISA-N 482.537 0.652 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420522 DVCFPQFTMLKKTK-BIWGCHKCSA-N 450.536 0.640 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)c1 1795932233 SSGWTBDSWPEIGM-NYYTWLDWSA-N 483.550 0.982 30 20 JCED CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCOC1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1796452347 WTJFOSAGPAYLEP-NRUGXNMXSA-N 450.536 0.810 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccncc12 1797061556 AGCFIYYCWWHQFQ-YNVMFWSZSA-N 482.541 0.849 30 20 JCED CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)n1 1797781094 YFHGKYUAGGIBKO-OPMZPASUSA-N 454.527 0.942 30 20 JCED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C2(CCOCC2)c2ccccc21 1799070195 GPGBNKGEXMQGSZ-FEJSZKPUSA-N 466.538 0.975 30 20 JCED C[C@H]1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CN(C(=O)OCc2ccccc2)C1 1800778446 XZCDRTGEIDIDOZ-ZUTPNKNVSA-N 497.548 0.959 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Br)ccc1[N+](=O)[O-])C2 1800779806 WEYZMYFSRXGCMW-YQYWCBKUSA-N 466.244 0.649 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C 1800825365 MHRNQLWGPJAEBF-GVJYWCCQSA-N 481.590 0.928 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCCN(c3cc(NC4CC4)ncn3)C1)C2 1801988655 MAHUZJFFBOJAFK-KANFNMMFSA-N 466.542 0.994 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1801989686 SPWJGWFGHKAFMM-BBIADKPPSA-N 463.494 0.352 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1810328308 WUHVKQJTMMJXHE-UWJYYQICSA-N 490.524 0.226 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812387605 QDZUSMVEUGNOLI-KNQAVFIVSA-N 463.494 0.745 30 20 JCED NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1814806866 RLWSBPHFMUWEGW-LPPHAIQZSA-N 452.537 0.177 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815770172 ALCWZCYDZMDTOD-CVEARBPZSA-N 465.470 0.951 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](COC)NC(C)=O)sc2C1 1820193160 ZJYAMWONZWEIAC-ZFWWWQNUSA-N 452.533 0.716 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1825102565 OFVORNVFGYTBBU-IEBWSBKVSA-N 498.584 0.092 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1828883033 VZCSXUZVHIUYQZ-UXHICEINSA-N 469.648 0.910 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCN2C(=O)OCc1ccccc1 1829167469 YOJWYBREJKXJIX-DEOSSOPVSA-N 476.493 0.274 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1829335224 XRKWJEOCGBTVIP-DEOSSOPVSA-N 494.508 0.208 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O)C3)C2)C1 1829671134 UDFLCUIZSIJVOQ-YDIMBITNSA-N 479.574 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)cc(OC)cc3F)C2)C1 1829771466 RARZFWYNARNROW-CHFIUFFRSA-N 479.480 0.902 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1829859785 JYWKFPHONPAAPT-OFNKIYASSA-N 460.506 0.611 30 20 JCED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)cccc1=O 1829900303 ATUIOKSNOYPUGK-XMMPIXPASA-N 450.495 0.570 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1830352712 NOFQOVBESAGALT-YIGJPRQDSA-N 472.542 0.172 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)[C@@H](O)C1 1831207570 RRNGKLGENCKCND-ZYLNGJIFSA-N 491.585 0.474 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1831998075 CHCIRKXGWJAZOZ-LLJLJFOGSA-N 494.589 0.438 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1832000823 YSFGXRAURVBEAT-STBWGQHPSA-N 481.546 0.943 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2=NN(C)C(=O)CC2)CCO3)c(C#N)c1 1832380189 JTISTRMWBOINSX-XMMPIXPASA-N 483.525 0.174 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1833075091 OYMINYLQNPFAAE-WAYWQWQTSA-N 493.568 0.133 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833207979 IOHGXBLUFLOLAC-XILVHTRDSA-N 467.910 0.729 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CCN4C(=O)C=CC4=O)CC3)CC2)cc1 1833613450 VTBDDDUINOHTCZ-UHFFFAOYSA-N 477.565 0.987 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834859769 CRWFQXSGTBIREB-SBUREZEXSA-N 481.546 0.313 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1835673959 BZMHMCCIGAMBFA-QFIPXVFZSA-N 455.519 0.310 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(OC)c1F)CCO2 1836232802 FJOVNWUOPJKTEO-QATSOJGNSA-N 462.478 0.158 30 20 JCED O=C1COc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)cc2N1 1836992729 OBOBCHIPZJKNGI-OPSZGJHISA-N 482.493 0.800 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)ccc21 1837443692 ODAYRPAEHSSJFH-OTUOEDBFSA-N 498.584 0.419 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530131 JFJJHJOOSVXOCB-DXLWNWQMSA-N 484.550 0.497 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1837531698 TZNUOJYFUJIVDX-WWCXEQRYSA-N 450.467 0.820 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837731001 KLMATARLXUQFNZ-VDTXYHSISA-N 479.555 0.095 30 20 JCED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN(CCO)CCO)CC3)CC2)cc1 1838593224 YVVKQAIFABEDOK-UHFFFAOYSA-N 458.559 0.457 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739281 POTOURNDMSMQJD-VOIUYBSRSA-N 483.500 0.914 30 20 JCED CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)C1 1839067562 PJHKFYXYUQVGJH-MHECFPHRSA-N 466.542 0.846 30 20 JCED COCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131162 PKTCGLFKHHKSPB-QHCPKHFHSA-N 480.562 0.630 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419544 HCLWZOXNCDPGKO-QHCPKHFHSA-N 460.506 0.930 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)CC)CCO2)C1 1839832070 HARSOASLNPJMMN-UZFJHSOTSA-N 465.547 0.891 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)NC(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839881083 LDFKSCDATFYIFA-WVMBUTMQSA-N 494.589 0.533 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)c1 1840106473 NBRSBYPSETVSFY-DEOSSOPVSA-N 454.527 0.949 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840142835 ZSVWBYIJOUFHIW-DVEIYGRRSA-N 473.526 0.910 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840175962 OWHOFCDCUNVVGU-JLHGSKIFSA-N 453.536 0.389 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)c1ccccn1)CCO2 1840327023 MJNPFFLSDYBMQI-HMLKYZKVSA-N 456.543 0.674 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840415659 KWUDPGVUPBGGAZ-IUKKYPGJSA-N 492.577 0.765 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)n1cncn1 1840417347 OXEXNUZOWXEYOI-JLTOFOAXSA-N 493.446 0.895 30 20 JCED NC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1 1840647510 FTKKWYMPNHWLAN-LDVHSUHUSA-N 474.514 0.385 30 20 JCED CC(=O)Nc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840723640 PORKLHPKHNJMHH-DEOSSOPVSA-N 471.558 0.997 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840819027 KZPZTEVNDAFOHI-DEOSSOPVSA-N 466.494 0.255 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1 1842779753 SMKMVLNBYOGDDK-MRXNPFEDSA-N 455.577 0.931 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCNC(C)=O)C1 1846008866 ICUWBOPTQKEPNB-QGZVFWFLSA-N 495.577 0.522 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846461852 RNZACJJOLOTNCA-IQMFZBJNSA-N 458.515 0.584 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1847071969 RHMSRJRMBGTUTO-RBUKOAKNSA-N 461.607 0.742 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2 1847262889 NGQXIQAPXAFNLS-NALAWWERSA-N 474.558 0.825 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)CC1 68793277 QFPZVJJSFXQONV-UHFFFAOYSA-N 483.304 0.959 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O 510235702 KQADMJDMVKUACC-UHFFFAOYSA-N 470.891 0.276 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2sccc2C)c1=O 523088818 GDZXZGRPSHNJHA-UHFFFAOYSA-N 460.625 0.983 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc(OC)c3OC)c2=O)cn1 523862707 DIOXXRJMLVFZHV-UHFFFAOYSA-N 495.561 0.494 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cc(F)c(F)c(F)c3)c2=O)CC1 524122536 ANHSAHRBHXQUEE-UHFFFAOYSA-N 492.523 0.956 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CC(=O)N(C)C 604472832 DVMUOWVHKJEIMV-UHFFFAOYSA-N 470.595 0.661 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)/C=C\c2ccccc2)CC1 728536160 MSVIWSODMHWOBL-PLMLNFJUSA-N 478.640 0.592 30 20 JCED Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1S(=O)(=O)N(C)C 769185791 WAQKKXRJGPROHW-UHFFFAOYSA-N 494.551 0.577 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCOC 914564881 JFPVJRZWPXBQPL-UHFFFAOYSA-N 453.524 0.830 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)o1 915249756 LKBANBUPYOQMAN-VLIAUNLRSA-N 467.500 0.961 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)cc1 917277447 XMCPJAQPPCWCIN-UHFFFAOYSA-N 465.553 0.453 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)c1 918254746 MHTIYOCWEMAAHL-TZBHCYISSA-N 462.528 0.998 30 20 JCED CCCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918278549 BCKADSOPONOVEW-ULJHMMPZSA-N 451.549 0.861 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CC(=O)N(C)C 1288153478 MHFVMLVQBQLDBK-UHFFFAOYSA-N 455.523 0.568 30 20 JCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccc(OCC(N)=O)c1 1306194755 SDULARGUPZPFCR-UHFFFAOYSA-N 463.546 0.993 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@@H]1C 1316126831 NFNPEMIKJCILFX-SFHVURJKSA-N 453.547 0.832 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1517076158 ZPZSNCLPIORZLR-UHFFFAOYSA-N 465.436 0.790 30 20 JCED CC(C)(C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1541197211 WHVCHXIEFJPASU-AUUYWEPGSA-N 471.559 0.358 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 1544722862 WPFSGCAPVCBJHJ-OAHLLOKOSA-N 458.544 0.627 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)NCC1CC1 1611707578 TZCFOVSLVFHLOR-MRXNPFEDSA-N 486.602 0.613 30 20 JCED CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1690767584 LTBQOSYFWVWUPV-QFIPXVFZSA-N 472.571 0.813 30 20 JCED CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)N1CCCC1 1694399492 RUMPLEPOPKRIEO-MBOZVWFJSA-N 469.587 0.927 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1nccs1 1706887019 GYJDCKJFUGPACW-ZFWWWQNUSA-N 450.594 0.764 30 20 JCED CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1711219964 XEPCQBAICMYGAA-OAQYLSRUSA-N 460.560 0.135 30 20 JCED COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1712461316 OSUZMOQDYYUFJU-FQEVSTJZSA-N 489.602 0.846 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1712708184 QLOQTOFDYREFIC-SFHVURJKSA-N 487.586 0.441 30 20 JCED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1750206599 JJBMBMKNZRXGEF-IBGZPJMESA-N 474.587 0.932 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)c(C)n2n1 1777782194 IUOAFYTZWUPQJI-NYNQOQISSA-N 451.487 0.897 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778163515 UCRXXZFYOXUYOZ-UZUQRXQVSA-N 478.546 0.575 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)C2)C1 1778315698 DPFUUBOJWSRZQA-WEHRJKGCSA-N 476.574 0.932 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)CC1 1778351969 KGCJRXCUFXESML-VWLOTQADSA-N 467.570 0.485 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC(C)=O)OC(C)=O)C1 1779400084 LYEIAMOTAMKQLK-FTFYGEEPSA-N 452.504 0.033 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779418379 WOLKSWQTMUXCOZ-JEDXIJPESA-N 452.552 0.944 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOC1=O)C2 1779422691 IYLFPPJKIJVFCZ-WRIQDGIESA-N 466.535 0.872 30 20 JCED CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1)C(=O)O 1781902887 PRYPAHONMJAVNU-UZLBHIALSA-N 479.331 0.827 30 20 JCED C[C@@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783521106 PJPVFKWXGPPTLP-OPAMFIHVSA-N 450.536 0.738 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1783769193 OADMXJVJRVJHLA-DFIYOIEZSA-N 493.649 0.922 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CC(N)=O)[C@H]2C1 1784593419 QESPOUUTGXSYCS-ICUGJSFKSA-N 466.579 0.947 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784747558 DAKLACXPQJIIRY-IIBYNOLFSA-N 471.576 0.168 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)no1 1786858367 SJKARKPJNATDMR-ULQDDVLXSA-N 460.535 0.573 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cncn3)[C@H]2C1 1787085065 VJPHHRFPRVNBII-FJIDUMEYSA-N 462.551 0.727 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnn3)[C@H]2C1 1787118155 QRRASPWPGDQRHC-XSLAGTTESA-N 462.551 0.727 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C[C@@H]32)CC1 1788109797 VFCGZIGQJBJQMP-FKBYEOEOSA-N 488.610 0.752 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 1788601034 DWDCLNQBEHVIMK-VPXHAUOJSA-N 461.588 0.929 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]3C2)c(O)n1 1788770812 GIPYNTPXZYYKFB-FIRPJDEBSA-N 474.558 0.650 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789955679 ULOCZMGRQRBHNT-CTXVOCDESA-N 455.508 0.262 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@H]2C1 1790704425 XNVMJLYSOSHXMW-JYJNAYRXSA-N 485.545 0.682 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13COC[C@@H]1CN(C(=O)OC(C)(C)C)C3)C2 1793341461 UQTKOPRLFFDDDV-RXNNHNSHSA-N 491.585 0.498 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1793824422 JWHIIDGDUPOBLH-CYGHRXIMSA-N 485.603 0.952 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cc1 1795597992 PBTKGVGOVHDMEZ-RMFSNUHRSA-N 476.599 0.640 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795600794 HYQTZJFOLMPWER-WCXIOVBPSA-N 451.568 0.771 30 20 JCED CSCC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)NC(=O)OC(C)(C)C 1796390588 OOWBHCWFALRWIX-QOIOWGMHSA-N 483.587 0.701 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1796446216 UJOKJOUHVMWRKP-BPNQKZMOSA-N 456.480 0.879 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C#CC(=O)O)C3)C2 1797155073 UPQHRMBLDLDDKC-UONLAYADSA-N 475.542 0.842 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1ccc(O)cc1 1797310661 AVHUHEDAFJETLN-GQSCTRQFSA-N 487.509 0.636 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C\C(=O)NC2CC2)c(C#N)c1 1797616265 VNOYNPMFADFRQR-JINAQJPASA-N 452.511 0.534 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2)c1ccccc1 1797873373 KATZHXQWTYOBBA-VQQMMKBISA-N 452.511 0.325 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1799322828 PNLPWUHNSPSGMO-ZMMAXQRCSA-N 455.552 0.444 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2 1799324565 JCRXXBWCRDTDIN-DFGXFYAUSA-N 468.551 0.792 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1799389385 JZIZONJIGPJGMC-LPVBTYDRSA-N 474.558 0.556 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(CC#N)cc2)CC1 1799642402 SQEZVQQVJHZHCW-WKCHPHFGSA-N 474.583 0.627 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c(C(=O)OCC)ncn2C1 1800324622 ITUQWMACMQJTMS-VBRUWADQSA-N 472.542 0.250 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1800824214 ZDYRRXZLHTWCQZ-QTQYAOCESA-N 499.564 0.386 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2)NC(=O)OC(C)(C)C 1801929757 DWVDVAWWMMHAGV-KYHPRHEASA-N 462.551 0.878 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N(C)C(C)=O)C2 1802139831 SOHJRLCZZSAKMS-RDARFFOLSA-N 478.590 0.912 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808358162 XFKAWDLWTYJLSG-SQGPQFPESA-N 474.514 0.715 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1811408908 BGIAGJXWHCKWIQ-GBXCKJPGSA-N 481.553 0.568 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)cc1 1819877026 NLHWMQHRXAGYSX-IERDGZPVSA-N 455.540 0.820 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)[C@@H](O)C1 1820798267 QSRUCEGVOHSUSS-IMJJTQAJSA-N 475.502 0.718 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC3)c(C#N)c1 1822805928 XSJNALQEOOYLGG-CJNGLKHVSA-N 482.522 0.776 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCN2C(=O)OCc1ccccc1 1829153952 CTCDAUBEDFTIBJ-HSZRJFAPSA-N 481.465 0.269 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1829260327 NZBTWMSLRXAJEQ-JPYJTQIMSA-N 475.567 0.752 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncn5nc(N6CCOCC6)ccc45)C3)C2)C1 1829667114 VSGCFPSNMPNDKP-RUZDIDTESA-N 496.568 0.602 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1830575045 QLEMWIVTBQMZCK-CYFREDJKSA-N 488.541 0.514 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)c(C(F)(F)F)n1 1830579780 HYQHYGBHFSQDRO-ZNQCYWAISA-N 468.432 0.813 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830592300 NSAQCDZOUFSUKS-ARBHZFCZSA-N 465.547 0.130 30 20 JCED Cc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1830916150 CZZKMFPCLGJQAC-ZZTJDXDDSA-N 460.531 0.918 30 20 JCED CC(C)C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1831000197 QESYGRNRPRBQNG-MHECFPHRSA-N 495.573 0.860 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(Br)n3)C2)C1 1831396053 HMVBQFCQRPCJKN-YCRPNKLZSA-N 496.358 0.961 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832285637 ITKQOSGGVSOUEN-DVECYGJZSA-N 496.605 0.781 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)C3CCN(c4cc(OC)ncn4)CC3)CC2)CC1 1833369767 BJOQMXGQQBDLIM-UHFFFAOYSA-N 454.575 0.906 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)c(=O)[nH]c1C 1833390153 PPLRQJGAQILMBN-QHCPKHFHSA-N 469.473 0.781 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1F 1833738103 SJIMZQFENLLHGI-CXDMEPTKSA-N 467.498 0.710 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3cccc(Br)c3)C2)C1 1834765811 LAIRPQRJOUXACK-HKUYNNGSSA-N 452.305 0.853 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c(O)n1 1835119590 RNDGJBOJUOPAAH-FDDCHVKYSA-N 458.515 0.254 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)C4=NNC(=O)C4)CC3)CC2)c1 1835701152 NTPQRHDIJBGPPS-UHFFFAOYSA-N 452.515 0.628 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1835713979 GHMVKLDJCKQKOI-IBGZPJMESA-N 460.575 0.446 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1836081359 KAZJBTJIKDFTJM-FQEVSTJZSA-N 452.533 0.355 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836449683 HHLFHVFBIJXUSP-ZREPJCBASA-N 452.471 0.740 30 20 JCED N#Cc1ccc(F)c(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)c1 1836464597 YMRJCNXIDQWCER-UHFFFAOYSA-N 470.505 0.434 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836848392 RCCRKCVPLLLUBZ-NYNQOQISSA-N 452.471 0.511 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836968400 KSFLEFAHPPTJDN-XMMPIXPASA-N 450.495 0.787 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837382336 XJXGAOGJPLAWDJ-HXOBKFHXSA-N 457.531 0.530 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1837393200 NLYWYXUYTUDNAJ-RXFWQSSRSA-N 499.564 0.702 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1837444228 UAYSVGKZHYULSD-QOOAHNBZSA-N 454.478 0.820 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Nc2cnccn2)CCO3)c1 1837483458 PLTLRWMWFKSUFZ-XDHUDOTRSA-N 480.525 0.927 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1837489492 JLXXJQXKGBSTTM-RDGATRHJSA-N 456.539 0.875 30 20 JCED COc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524263 DIYKEMAADKEAMS-KPSNGJBRSA-N 462.503 0.689 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1837529753 XZUURWABCRTKNG-OZOVCYFGSA-N 463.434 0.082 30 20 JCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1C 1838275720 LUXKBFBZMMCGBK-JPHKLTHBSA-N 463.535 0.582 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)ccc1F 1838337791 DQDYHOOAHFBEQR-QHCPKHFHSA-N 454.458 0.643 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838580630 OHXFNJNIKUUWNJ-OIUIXCLQSA-N 457.483 0.756 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc(C)[nH]n4)C3)C2)c(C#N)c1 1839132955 UTUMKWMVWZIVGQ-DEOSSOPVSA-N 467.526 0.840 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839577312 QDQBPYCUPCHOIP-IVZQSRNASA-N 474.539 0.234 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839860424 VCWZVHRIZFIWTQ-MBSDFSHPSA-N 482.578 0.438 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O1)CCO2 1840016479 GICNCOMYKFKGBQ-WCUSIGKQSA-N 499.630 0.786 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 1840039955 KSIZKZVQHMWKQZ-HXUWFJFHSA-N 465.846 0.335 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)NC(=O)OC(C)(C)C 1840111680 FIXYQAYECIPDBU-HOYKHHGWSA-N 493.557 0.313 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1)c1ccc(O)cc1 1840220406 NJHIRXOHOOYPFW-YZIHRLCOSA-N 483.565 0.872 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccc(O)cc1 1840222625 VVLCVOSDUKVZND-IBVKSMDESA-N 495.532 0.271 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1)NC(=O)OC(C)(C)C 1840795942 LBQZBQKQZSTFIN-GGUMNFRJSA-N 494.589 0.581 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1840818955 HKGHLZOPOUVWGR-NRFANRHFSA-N 457.512 0.746 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840885145 OGWXFSBCKJPKPI-XMMPIXPASA-N 464.559 0.731 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C)C2)C1 1840909604 XQKLYGUTBGZMMP-KSFYIVLOSA-N 493.586 0.833 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(CC)CC1)CCO2 1840929271 MCTCZXUXTROIIF-QHCPKHFHSA-N 451.564 0.684 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842001011 MFPNGTVWWYQQEB-INIZCTEOSA-N 460.491 0.911 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)c2C1 1843997496 ALXGSPVRODUOJV-UHFFFAOYSA-N 457.487 0.539 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1 10912844 GZVHIWVLGLERKO-INIZCTEOSA-N 496.567 0.811 30 20 JCED COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1OC 30942753 LKQXLUYEGQXKFP-UHFFFAOYSA-N 459.528 0.988 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(OC)c(OC)c3OC)c2=O)cn1 523182256 CGAXNFJTXHZGSR-UHFFFAOYSA-N 495.561 0.923 30 20 JCED CN(C)S(=O)(=O)c1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 603444727 TVZGIMMNXDXXNZ-UHFFFAOYSA-N 450.542 0.745 30 20 JCED C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc2)C[C@@H](C)O1 604131812 XGPJSYIRNGPNIE-OKILXGFUSA-N 453.503 0.800 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 608827996 BRZOUSJUAUGKDQ-UHFFFAOYSA-N 488.569 0.922 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)COCC(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2)c1 609231943 VOUARSDOJABUEA-UHFFFAOYSA-N 474.525 0.234 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(F)(F)F)cc2)c1=O 729675079 RXAFHVCCGHFDPX-UHFFFAOYSA-N 485.509 0.755 30 20 JCED N#CCSc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914654401 UCCJJVPJSBXCOM-KBPBESRZSA-N 451.526 0.820 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCCCN2c2ncccn2)CC1 914664294 XFMPRJCOTMMWER-LJQANCHMSA-N 498.565 0.783 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CCOC 916198743 VBVZDZITPSYXOT-UHFFFAOYSA-N 455.458 0.841 30 20 JCED C#Cc1cccc(NC(=O)CN(C)C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 918328877 GGCIVFKTIQSYFF-UHFFFAOYSA-N 456.524 0.745 30 20 JCED C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286532669 JJEJRDKRGMMUDS-UHFFFAOYSA-N 459.312 0.584 30 20 JCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286538585 QQQAEDVYXJQTEI-UKRRQHHQSA-N 466.384 0.927 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCCN2CCCC2)C1 1302479212 KSBOIYWKSMFOAD-SFHVURJKSA-N 451.597 0.837 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1cccc(C(N)=O)c1 1303405347 QTFZWTOBLOUTRN-LJQANCHMSA-N 450.547 0.934 30 20 JCED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)CC1 1464101061 MYYOEQSHYZBHFB-UHFFFAOYSA-N 456.366 0.571 30 20 JCED CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(=O)(=O)NC)C2)CC1 1515932912 ZMENEZLPIHQJIX-HXUWFJFHSA-N 472.619 0.582 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1516830906 OYMLSSWOQSKJFD-NRFANRHFSA-N 460.560 0.876 30 20 JCED C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1596871403 YXYVHXDCUMSCEG-KBPBESRZSA-N 454.578 0.624 30 20 JCED CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1617405498 AXZMPPILIXMGRV-ZZQXMTQJSA-N 497.622 0.994 30 20 JCED COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1618905265 MFGQQNXBHALYEM-UHFFFAOYSA-N 477.547 0.509 30 20 JCED CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1710450095 XWPBEOXPRWSPKL-HXUWFJFHSA-N 453.565 0.610 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1711420212 PFGVODXYKSZUNM-GOSISDBHSA-N 456.532 0.677 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCC(=O)N(C)C)CC2)c1C#N 1725869172 WBHWGWPLUGIPCG-QGZVFWFLSA-N 468.566 0.338 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1729680349 MHVYWPNDBRZSNY-QZTJIDSGSA-N 458.544 0.735 30 20 JCED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1=O 1730777093 VTUREUMTEZFWGX-PZJWPPBQSA-N 481.557 0.653 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCNC(=O)C3CC3)CC2)c1C#N 1751828408 WUXHRYLUALQUOU-UHFFFAOYSA-N 468.566 0.183 30 20 JCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1763112535 QPJBOBNJPDDDHJ-CVEARBPZSA-N 459.580 0.499 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066712 CDPXLVYXHKQQJF-UQBPGWFLSA-N 493.601 0.791 30 20 JCED Cn1ncnc1C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781168189 WYWJBKASBLUTIQ-QHCPKHFHSA-N 487.561 0.799 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)CCO3)c(C#N)c1 1781172396 OMLDOOZFTMDKBD-FAHJTYSBSA-N 485.566 0.742 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2 1781270298 GPZBDSLWNHHBIY-QFIPXVFZSA-N 457.487 0.284 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782732421 SDYYBLZRISVAOM-DEOSSOPVSA-N 456.543 0.723 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CN(C)C2)C1 1782749544 RCRXQRKZCOXDPI-KHCICDEESA-N 462.591 0.979 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1Cc3nccnc3CN1C(=O)OC(C)(C)C)CCO2 1783053974 PQMIIBQFEHJBRQ-JPYJTQIMSA-N 455.515 0.602 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783453016 KSOZWNZAAZKGEG-KHCICDEESA-N 491.585 0.881 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C34CCN(C(=O)OC(C)(C)C)CC4)C2)C1 1783453580 NEGVHOGBUNEBKU-HXOBKFHXSA-N 474.558 0.213 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C[C@@H]21 1783530925 VMXZISYJHFSKKC-SJXIWSJKSA-N 479.537 0.455 30 20 JCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1785015177 JQIXYQVYMCEMNU-NXOAAHMSSA-N 457.593 0.771 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1)NC(=O)OC(C)(C)C 1785305726 BLYJKTGUOFREDP-VFNWGFHPSA-N 452.556 0.159 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(=O)(=O)N4CCCC4)[C@H]3C2)ccc1F 1787506024 YDDMJBYBFOCBTN-CUWPLCDZSA-N 492.573 0.645 30 20 JCED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1788614883 KXTQETIDIFMYIC-IEZWGBDMSA-N 461.563 0.704 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1789810052 OMAQDPTVZZAQEN-YRIPFXIYSA-N 496.605 0.995 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1790175946 UJYDHKGEKUZDMC-OZIGNCPNSA-N 457.527 0.861 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(C)(=O)=O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791379975 IMUMIRXGZKHPSK-XSLAGTTESA-N 485.603 0.576 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793263011 ZQEUOBFZAFQTFR-NBMJBFSESA-N 463.531 0.446 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)c3ccccc3OC)C1)C2 1793340070 JHOBVIGZFMRCNO-UYZIEWPDSA-N 469.538 0.395 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(C(F)(F)F)cn3n1)C2 1793342744 OJBOSZFTMMTURL-VWPFQQQWSA-N 465.432 0.990 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1793593968 YSJQCYQJVFBPFR-XLKGFZLASA-N 452.552 0.557 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCC)cn1 1794344366 REGNYEWHLUCGIC-CLWJZODNSA-N 487.557 0.995 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)N(C(=O)OC(C)(C)C)C1 1795289351 XHDJLMGEYPQHNF-OREBXVKISA-N 462.547 0.420 30 20 JCED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1795418576 FTJWLIBTDQCWJT-CWPLJXCYSA-N 453.503 0.073 30 20 JCED Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)no1 1796419452 HTQIOSGYVNFGIY-USGNIVHTSA-N 477.481 0.963 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1797121958 SMOCIDPOSHPLHA-OYNZLANYSA-N 450.536 0.498 30 20 JCED O=C1Cc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)ccc2N1 1797329916 HXPVUQFWBOROML-DNPNBJDGSA-N 456.499 0.913 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H]1ON=C(c2ccccc2)O1 1797643269 LJGTZFWOFCJFEO-DOMYYKBESA-N 472.498 0.840 30 20 JCED CC[C@H](C)[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)NC(=O)OC(C)(C)C 1799255730 DGFZVPXVPDJBJF-YYYYNJOWSA-N 465.547 0.994 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C2 1800453892 VAPUCYOTDTWRIP-KYHPRHEASA-N 464.519 0.015 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800779185 XWNMMPCUGCQQQJ-QTSPYONBSA-N 461.515 0.311 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1800823178 AXMCIDJCLSDKOC-TUIIKVOISA-N 462.547 0.762 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1802025142 LJEOWMLUEYXLJR-CYGHRXIMSA-N 451.520 0.446 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)c(C)nn1C)C2 1802124779 HWAPYVNOEBKHPK-DFGXFYAUSA-N 477.537 0.987 30 20 JCED COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cc1 1802231067 SYPSDJAOCOPNFV-HIWVUUHFSA-N 489.525 0.971 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2(N3CCN(C)CC3)CC2)[C@@H]1c1cccnc1 1807936125 CPUGRJRWNWNMFQ-FCEUIQTBSA-N 453.587 0.906 30 20 JCED CNC(=S)NCCC(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1810306131 HCVKKVDXHMRRAV-IEBWSBKVSA-N 459.620 0.853 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNC(=O)c2cc(C)on2)[C@@H]1c1cccnc1 1810375239 WSGQBMOFQHYFDI-BLIXFSHQSA-N 453.499 0.852 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813176940 HHNRMKYEAARVKF-HTAPYJJXSA-N 454.483 0.522 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1815670589 CEJNAWZMEICIBI-JLBMLGSFSA-N 496.590 0.661 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC3)c(C#N)c1 1822808202 XAIHCSNAVKXCEZ-ZBFHGGJFSA-N 470.555 0.771 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCS3(=O)=O)sc2C1 1824927454 FQKQMXQVBPBSGC-WFASDCNBSA-N 453.590 0.914 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)COCCO)C2)C1 1828580879 XCZOEPHMQNDDGK-NLFFAJNJSA-N 487.553 0.486 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829371994 XRLBBUBFPRUKBX-CYFREDJKSA-N 467.526 0.878 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829485501 JLSFQDAEBLFAGJ-RTAJLIBNSA-N 466.447 0.787 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 1829766318 RCAWJEQUWYENQA-UZQCKINESA-N 487.944 0.916 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)c1 1830462805 OLQMQPZZHUZUQI-VWLOTQADSA-N 468.554 0.960 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1830526312 UEZVUZJEJRJGJK-IMWIBFENSA-N 481.590 0.911 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831225741 YTKVCGQWBMGOQL-HOYKHHGWSA-N 475.542 0.782 30 20 JCED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cs1 1832971776 PBXRQQYIADKYSE-VTHGXCIJSA-N 466.560 0.979 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)n1 1833338688 WRMBEQBMGCZFPD-ZHRRBRCNSA-N 461.519 0.911 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)c(C#N)c1 1833833985 GRXBFWOLQIHZTI-QHCPKHFHSA-N 467.482 0.375 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@H](N)C(N)=O)CC3)CC2)c1 1834735846 ZSPGTHUZJWPCGR-NRFANRHFSA-N 454.575 0.645 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834768794 PNLFNBPHCCPHPY-NZQKXSOJSA-N 490.582 0.518 30 20 JCED N=C(N)SCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835511088 MZIXOOSZTGBPND-GNAXCBTBSA-N 452.558 0.570 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682734 SYFWLEKIPOZHFW-QFIPXVFZSA-N 467.567 0.249 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cncn4)CCO3)C2)c(C(F)(F)F)n1 1836133996 GTFMWEULVIOWBW-LJQANCHMSA-N 479.419 0.334 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(C(=O)OCC)ncn3c1)CCO2 1836256319 LOHWQBYFVVRKAW-DEOSSOPVSA-N 468.510 0.994 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5c(c4)NC(=O)CO5)CCO3)C2)c1 1836992038 FWMKOKXEBCCSNV-HSZRJFAPSA-N 465.466 0.601 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837241709 QHQMMRVHLDUPIE-UGDMGKLASA-N 454.589 0.300 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1837405669 ZEUOJGCXTWRMAK-JVFUWBCBSA-N 473.570 0.834 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1837405757 ZWDMZCZSQRZDBR-NTKDMRAZSA-N 481.590 0.884 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nnc(-c3ccccc3)o1)CCO2 1837533185 KNXZHJLXIXVUTI-XXXZYALBSA-N 481.509 0.665 30 20 JCED CC(C)n1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cc1C(=O)O 1837561612 XJQBMQZXIDQBKY-YQSZEYAUSA-N 487.513 0.944 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1838077338 HOSDWFVKAFZHQN-RBUKOAKNSA-N 465.595 0.188 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1838330585 ALSDLLMRWPFQGR-FYSMJZIKSA-N 478.509 0.586 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)[C@@H](C)O3)CCO2 1838586111 XUHLEIGPWNRFFB-YKZHINMASA-N 498.536 0.334 30 20 JCED C#CCCC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1838735442 KLQOAWOLYHHBEI-VQTJNVASSA-N 490.626 0.579 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839106160 HCBZQBCNRWAUJY-DEOSSOPVSA-N 460.619 0.991 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn(C)c4=O)C3)C2)c(C#N)c1 1839131517 IYCRHMJEBGAMOL-RUZDIDTESA-N 480.521 0.578 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1839190790 DYLRYKTYEGGMNW-HWHXTQLESA-N 488.585 0.909 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(=O)n5O)C4)C3)c2c1 1839487466 JXUBDBPKNLHXLO-HSZRJFAPSA-N 478.465 0.217 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCN5CCOCC5)C4)C3)c2c1 1839487951 NLFSKFNWZCKCQA-XMMPIXPASA-N 482.541 0.227 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)n3ccnc3n1)CCO2 1839550452 KJGYZVAKLNCXFP-QHCPKHFHSA-N 471.514 0.617 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839875649 RTQWRRZBAIVOKO-JSMQRPJFSA-N 492.573 0.048 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839894122 JOQCDPLRMCZOLC-QRWLVFNGSA-N 495.495 0.837 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839959448 KHIISKAWOFRPKS-YBWSKRLUSA-N 455.511 0.759 30 20 JCED COc1cccc2c1C[C@@H](C(=O)N1CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)CC2 1840044307 CKBGBIAJWIDRGL-MHECFPHRSA-N 456.495 0.345 30 20 JCED COC(=O)c1ccc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2c1 1840044429 HOELFJFBEOMRSW-VWLOTQADSA-N 480.473 0.784 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c1 1840409970 NTRQSAHMLRLLEQ-JOCHJYFZSA-N 455.446 0.636 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(=O)c2cccn2C)CCO3)c(C#N)c1 1840483263 ABRSIFRXKKLEIZ-VWLOTQADSA-N 480.521 0.787 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1840796764 OYFLLDQVQIXENJ-UZUQRXQVSA-N 479.530 0.390 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc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c2cccnc2C(N)=O)C1 1842157965 CNSLQUZOXIEFNY-MRXNPFEDSA-N 455.515 0.914 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301657 AHONGHCWOOHKKX-CRJUJDDESA-N 468.551 0.995 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1845188834 NHJLYIWCCKKQOE-SJORKVTESA-N 465.547 0.927 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1847263092 XNOMMAXHJKGPOS-FMXZHJGBSA-N 462.547 0.274 30 20 JCED COc1ccc(CC(=O)N(CCC#N)CCN2CCOCC2)cc1S(=O)(=O)N1CCOCC1 497889960 LWUXBWQVOVNNCN-UHFFFAOYSA-N 480.587 0.333 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1C 589161458 WKXVETRUZOUZLJ-UHFFFAOYSA-N 477.608 0.894 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CCNS(C)(=O)=O 589161461 WNKAKHWEMOMQOT-UHFFFAOYSA-N 497.982 0.569 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)c1 604270252 JLQQHQHTUWHVEZ-UHFFFAOYSA-N 456.568 0.672 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(-c4ccccc4)o3)c(=O)n2CC(N)=O)CC1 608911816 LGCVYZGRWLTZBV-UHFFFAOYSA-N 491.573 0.322 30 20 JCED CCN(CC)C(=O)CN1C(=O)[C@@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403259 JONZCYPRGBOFRX-GYKMOOBXSA-N 469.589 0.139 30 20 JCED CN(CC(=O)NCc1ccco1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 727240211 GCSJDNQJOLKNLM-UHFFFAOYSA-N 459.528 0.232 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CCS(C)(=O)=O 729671925 XKRVRBLPGPPXFT-UHFFFAOYSA-N 477.608 0.772 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCOC 730803620 SECVUSQQXAJHEY-UHFFFAOYSA-N 451.495 0.880 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 731232581 ABLFRBZQEQNFGW-UHFFFAOYSA-N 463.563 0.926 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912685288 CFPDYIWDXKHWIO-VLIAUNLRSA-N 450.517 0.407 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(NC(C)=O)c1 913151381 FYHZHTAFSFJWPF-CQSZACIVSA-N 480.550 0.245 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)o1 915377778 FMAXMOMJNNPUDR-JLCFBVMHSA-N 472.502 0.547 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(Cl)c2)c1=O 916198220 GQZIFSXWNSLZDI-UHFFFAOYSA-N 476.986 0.161 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(Cl)ccc2OC)c1=O 917760887 JRIWPJWMGKDHIY-UHFFFAOYSA-N 491.013 0.933 30 20 JCED CC(C)[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 919316471 YGZKPSBKLJGZOJ-ICSRJNTNSA-N 470.569 0.734 30 20 JCED N#Cc1cn(CC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)c(=O)nc1O 1158171365 SFJAIXMJTPFBJK-UHFFFAOYSA-N 452.515 0.308 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1303861458 FIPIFEVIQSPTLK-HKUYNNGSSA-N 494.666 0.300 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359151373 RZSSXRIULGOASJ-OAHLLOKOSA-N 483.982 0.990 30 20 JCED CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1548171801 OYBUYYRDOUHCQO-IBGZPJMESA-N 468.562 0.903 30 20 JCED C[C@H](CN1CCCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1706817047 OTOLDFZKCYSTIO-SQNIBIBYSA-N 467.596 0.072 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCN2CCCO)C1 1712707553 YMOAHNDOCNSBRK-OALUTQOASA-N 481.623 0.198 30 20 JCED CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)S(C)(=O)=O 1746309616 PTHCDKAQUQOCOB-UHFFFAOYSA-N 466.589 0.723 30 20 JCED CC1CCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1752264935 WNZZNODGEGKSLI-QZTJIDSGSA-N 467.596 0.072 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1771112601 TXCWIRWOQGEKIF-QUCCMNQESA-N 490.586 0.981 30 20 JCED C[S@](=O)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1771372396 UYJSVDCKYBSRGP-KSZYLEPESA-N 463.585 0.836 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)n4[nH]nnc4n3)C2)cc1 1777823694 VACBCHBAWVFWFO-WZONZLPQSA-N 476.497 0.320 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1778957384 QUJMNCKEYXKPEY-QMHKHESXSA-N 457.531 0.647 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)CCO2)C1 1778973427 RLLPREWBNJMOSZ-YADARESESA-N 456.543 0.894 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779035400 VRVWVBZJXKBLNW-OPAMFIHVSA-N 483.635 0.770 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)Cn4cncn4)C3)C2)c(C#N)c1 1779218629 ABMNPVPNBJTZKQ-SBUREZEXSA-N 452.515 0.867 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)c1 1780172986 PWLKZXFQGXJGAV-DEOSSOPVSA-N 495.561 0.915 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)csc2n(C)c1=O 1780922308 GSBPBYDIPWWSOG-HSZRJFAPSA-N 485.566 0.365 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)N4CCN(C)CC4)C3)C2)c(O)n1 1781094127 JAFSWDAODRDBPX-DFBJGRDBSA-N 471.602 0.985 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)C2)C1 1781208932 ZPEHBAWSANBPQG-QFIPXVFZSA-N 453.536 0.398 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)C2)C1 1783017537 HJNXJWAGFIRIPH-OPSAWKISSA-N 489.594 0.711 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)CCO2 1783053055 MPFWDKXBGOFOQN-JOCHJYFZSA-N 453.536 0.398 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1783269718 YQNMCCJVEGLLAW-NVTAWBTOSA-N 487.557 0.814 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cc(Br)ccc1O)CCO2 1783565349 KRZSKFFMHDCGGY-LJQANCHMSA-N 451.273 0.615 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783901701 UPXGOHFQUWGISU-LRAJWGHMSA-N 473.592 0.981 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO3)N(C(=O)OC(C)(C)C)C1 1784089787 HKOIMYXDVDPFSM-MFEFFIJZSA-N 496.561 0.446 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccc(O)cc1 1784117805 NCFGGUDUMGKKTI-CLOONOSVSA-N 465.506 0.644 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1785376548 VNYSMERBTJIHSW-JOCHJYFZSA-N 451.439 0.569 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1785571620 FWLHDZWRTHBHPV-JPYJTQIMSA-N 480.631 0.782 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1785607815 DCPDTOHOQBNPOO-HQUHOLMRSA-N 494.593 0.057 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)O)C[C@@H]21 1788544018 BLPSLMGMPVGWSE-TXTZMMAHSA-N 498.577 0.152 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1789904176 HDYDUQLEZPGAQT-APAFKAMOSA-N 478.590 0.962 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791284033 XYLKTQUSGWKMIV-WFUIJNOLSA-N 455.508 0.111 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792141111 FKAGGOHBLDRLPD-XSLAGTTESA-N 464.563 0.936 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OC)cn3)C[C@@H]21 1792262012 VTCZEMBNHJIEKK-DWRORGKVSA-N 487.557 0.995 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 1793353832 GJQHYMBFUKVCCG-AKHDSKFASA-N 481.590 0.929 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc([N+](=O)[O-])c1 1793698491 YVGCHSRTKJQCDS-ROAZTASUSA-N 456.499 0.975 30 20 JCED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1795420431 URDZTQHKASTTQM-YVWYUNDQSA-N 484.538 0.171 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1(OC)CN(C(=O)OC(C)(C)C)C1 1797152945 GOEWDHJUMMFEMC-FTEYMNFISA-N 479.574 0.640 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1(OC)CN(C(=O)OC(C)(C)C)C1 1797152947 GOEWDHJUMMFEMC-GNBUJSLZSA-N 479.574 0.640 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CCCCC1 1797311686 PFDDQCQDRRKFOK-HGKCTWBKSA-N 463.531 0.892 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797626309 YNYXTECVLYZPDX-YYAJDYIMSA-N 491.593 0.769 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1)c1ccc(O)cc1 1797627134 TWHYHWIMUPQWGA-OVCNXMPXSA-N 466.542 0.812 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O)NC(=O)OC(C)(C)C 1797969376 XWRZILQLHXHISS-KYHREEPGSA-N 496.605 0.587 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798354505 MZOALZZLSSXNJS-FZKCQIBNSA-N 488.545 0.248 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](C)S)CC2)CC1 1800985686 NJAGPZXLCCWAPW-RMYQPGKMSA-N 466.648 0.617 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)CC)C3)N(C(=O)OC(C)(C)C)C1 1801101970 QBPUVMOYSUCPCX-ZMMAXQRCSA-N 485.603 0.576 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1801286555 INCASCUFPWBMBP-VAKZPMALSA-N 484.944 0.885 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@@H]1c1cccnc1 1802498634 OQTKYSZSHFJBFH-YLRDJVGTSA-N 467.448 0.624 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804192282 LRAWAVFMTQNEBN-RLLQIKCJSA-N 468.645 0.772 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1804389041 DKPOKXAGMVLAKD-HQRMLTQVSA-N 493.568 0.747 30 20 JCED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)c(=O)nc1O 1810288882 AEIJJPFMVJPNLF-TXANHQATSA-N 481.557 0.830 30 20 JCED CN(CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(CC#N)cc3)sc2C1)C(=O)C(=O)O 1823499235 ZELPBSAAJGBYSM-AWEZNQCLSA-N 455.496 0.978 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)[nH]n1 1823521763 UGNBHUOXIGNYOE-ZOBUZTSGSA-N 489.577 0.911 30 20 JCED CCNC(=S)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2 1824498428 XEFYSXIPDJAISJ-LBPRGKRZSA-N 451.622 0.821 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975425 WNPQTNRKOWJVLL-ICSRJNTNSA-N 453.605 0.375 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)/C=C\C(=O)NCC=C)CCN2C(=O)OCc1ccccc1 1828494853 VLPWSFNFCCYFTJ-VBKSFVIKSA-N 464.522 0.930 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828808698 YVQAAIYUJLUCEY-YADARESESA-N 467.526 0.973 30 20 JCED Cc1cc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n[nH]1 1829178935 POILZEIRIZEMPR-DEOSSOPVSA-N 479.493 0.872 30 20 JCED Cc1nccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n1 1829332777 YLNBWQRWIPLPSV-VWLOTQADSA-N 491.504 0.939 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1829344837 CCCAVQYWCXCOIQ-JLHGSKIFSA-N 462.572 0.891 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1829348488 WYIFDAXYJPFOEZ-HFZDXXHNSA-N 497.596 0.835 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830829314 NNMQVPMDIKXZST-XDHUDOTRSA-N 491.541 0.320 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CSCSC3)C2)C1 1831396312 JCGNTOKPBIPLJP-MBOZVWFJSA-N 457.618 0.524 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1831425206 AHLBPNARWBHPPQ-IQMFZBJNSA-N 457.483 0.483 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cn3c(nc2=O)SCC3)CC1 1831673213 IRVVORQMXSHDTP-QGZVFWFLSA-N 458.540 0.599 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3C)CCO2)C1 1831879949 BBBOBDYWKDSQDQ-DVECYGJZSA-N 489.573 0.715 30 20 JCED C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)C(F)(F)F 1832163231 VRRRBNATFWROGU-WOJBJXKFSA-N 481.431 0.818 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)CCO2 1832541230 VVMXWARBKCZCCY-QHCPKHFHSA-N 454.483 0.433 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3c(=O)oc4ccccc43)CCO2)C1 1832756074 YYAGQZOVXAQQSX-KOSHJBKYSA-N 471.510 0.479 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832934041 SQYOWMWDJIVUFV-GAJHUEQPSA-N 491.545 0.294 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOC)CCO2)C1 1835240713 YVCMXIYRABSCPA-VGSWGCGISA-N 453.536 0.396 30 20 JCED CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835767730 NWWSFXMHBTUTND-LQOIVRHRSA-N 458.581 0.132 30 20 JCED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1835988974 CEWOMHBJHKIRDK-NXWDISQXSA-N 463.535 0.338 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cc(C(F)(F)F)ccc3n1)CCO2 1836951735 ASALPCVUXHUTPR-HXUWFJFHSA-N 480.399 0.511 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837121246 GSKWPSJMVDEWQQ-QHCPKHFHSA-N 454.531 0.686 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837242359 FEFHYUGZCYCUHR-KCEHZKJRSA-N 463.556 0.796 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837318697 XSDNACVQAAZFKM-TXRNYMQSSA-N 464.441 0.020 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445997 FAXDCMYEJZTSSW-NGMJZNPLSA-N 451.612 0.892 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1837528767 OPFIXQJLEIAHRB-NQXOLCDVSA-N 498.540 0.866 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837531538 PBWTZISNCMZGKG-UYTRCOCSSA-N 476.486 0.409 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838366683 SDTRYALIERRQGB-QFIPXVFZSA-N 456.886 0.957 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838413293 HCLSUBUWTIUPDR-HXUWFJFHSA-N 464.569 0.745 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)c1 1838580877 VMOBIZHCLCMQBU-QHCPKHFHSA-N 481.465 0.439 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1839173452 PYBUDQWWFDFJBN-HSZRJFAPSA-N 494.566 0.670 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1839174985 GTGWZSOIWNWGPK-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)C1 1839189679 YZGWGFVVPQQZJZ-JPYJTQIMSA-N 459.499 0.940 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839361568 ROFBTVLVZAXRTM-JOCHJYFZSA-N 461.540 0.729 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839759317 MGSMRVGLYSHWMU-KKSFZXQISA-N 453.511 0.862 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)CCO2 1840047404 DFVSRGOTLQRANB-XLNZFTOWSA-N 479.574 0.881 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)C(C)C)C2)C1 1840107995 AHDKZBYYISSHAD-PNCHPQGNSA-N 469.579 0.929 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1ccnn1)CCO2)c1cccs1 1840447259 WZVQWATVFYTGSX-YEFOHOTDSA-N 459.528 0.625 30 20 JCED Cc1cn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc([C@H](C)C#N)c2)CCO3)c(=O)nc1O 1840716507 KRZUYYNGMHWISK-CRICUBBOSA-N 495.536 0.655 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)C3)C2)CCC1 1840815185 BEJCZOJJWFMQMP-AOJNWGRGSA-N 482.581 0.772 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2)C1 1840841912 BRAQTVDEMYGUOP-JTSKRJEESA-N 453.536 0.396 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)[C@H](O)N3CCOCC3)C2)CC1 1844296918 IZSTWYSAOJDQMT-SFHVURJKSA-N 491.589 0.381 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1=O 23850647 YTFNFIXLERDUKZ-UHFFFAOYSA-N 474.949 0.411 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccc1 502053811 RSLYOPMMOXBUGC-UHFFFAOYSA-N 451.552 0.542 30 20 JCED CCc1ccc(-n2c(=C(C#N)C(=O)N3CCN(CC)CC3)sc(=Cc3ccnn3C)c2=O)cc1 502055748 GSXOCYYFXDMBFX-UHFFFAOYSA-N 476.606 0.862 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 514943185 GMDBYSVTFXKJGD-UHFFFAOYSA-N 496.524 0.364 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)nc3)CC2)cc1 516408314 WRWCLBBPNHPCRS-UHFFFAOYSA-N 466.483 0.006 30 20 JCED N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c1 521465910 KUBGLOVVOKPWBI-HXUWFJFHSA-N 453.543 0.916 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(-c3cccc(F)c3)s2)c(=O)n1CC(N)=O 550462643 AUGWJXIITXKSQY-UHFFFAOYSA-N 498.561 0.625 30 20 JCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 604017903 NBAFVBUPJYAKQD-LBPRGKRZSA-N 453.464 0.891 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C[C@@H]1CCCO1 604434412 XJQRVKYKBFZYCL-HNNXBMFYSA-N 498.517 0.550 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(C(N)=O)cc1 608828275 MEYAGVCFYCIAMW-UHFFFAOYSA-N 475.486 0.688 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1=O 726042053 COFXIAJWOTZGFF-UHFFFAOYSA-N 451.819 0.960 30 20 JCED Cc1cc(NC(=O)CN2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC2)no1 726585348 QSMCHHGGVPXUIQ-UHFFFAOYSA-N 451.487 0.833 30 20 JCED COc1ncnc(OC)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 729867753 KAMXGODXYANSES-UHFFFAOYSA-N 475.483 0.055 30 20 JCED C#Cc1cccc(N(CC(=O)NC)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 746275771 DCELDOWAHCKLFC-UHFFFAOYSA-N 454.508 0.181 30 20 JCED COCCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccccn2)c1=O 916664551 GFESUAJJHHXHAD-UHFFFAOYSA-N 464.503 0.864 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)c1 918400389 CJRSUZVIPBRRCI-BWAHOGKJSA-N 471.543 0.577 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(=O)N(C)C 918730216 SNZZRTLKDYEWOA-UHFFFAOYSA-N 488.953 0.228 30 20 JCED Cc1oc(NC(=O)[C@@H](C)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C 1167772200 JSBSSTIXKNDPRF-GDBMZVCRSA-N 451.549 0.016 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCC(=O)NC(C)(C)C)CC2)c1C#N 1290576887 KDWFUNXKULFOHG-QGZVFWFLSA-N 482.593 0.774 30 20 JCED N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)N2CCSCC2)C1 1316526401 JCXBKFVRMUCYAP-SFHVURJKSA-N 471.584 0.335 30 20 JCED CO[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CCOC1 1504055633 OTARVESRJWAZGD-XLIONFOSSA-N 468.580 0.547 30 20 JCED N#Cc1cccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CC(=O)NCC(F)F)c1 1505314021 PNGWLIULSCLETP-UHFFFAOYSA-N 486.527 0.942 30 20 JCED C[C@H]1CN(C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1512357463 UJPYYSPYDHKRQW-YVSFHVDLSA-N 469.612 0.505 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1541568499 WYTXBVVOTHSVFB-IHPCNDPISA-N 494.666 0.422 30 20 JCED C[S@@](=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CC1 1620180404 VGLPWSJDVSTCAY-XHDOVSQSSA-N 470.621 0.652 30 20 JCED N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)CC1 1620357729 NVBQHTCBTBZCCF-MRXNPFEDSA-N 456.594 0.346 30 20 JCED COC[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1)OC 1697754215 OEAHIRCKDZCBLZ-IAGOWNOFSA-N 464.548 0.586 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1)C1CCN(S(C)(=O)=O)CC1 1711028149 MGUUHQOIPAWTNL-NRFANRHFSA-N 460.560 0.828 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C 1749879222 WEZHILUWZCHQRD-SFHVURJKSA-N 488.614 0.913 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760374277 LLIIIBBLZHSCDP-HNNXBMFYSA-N 486.961 0.619 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCO1 1760674518 PCSWSWPFGCNGBQ-LJQANCHMSA-N 455.519 0.548 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1767216249 XOEPLVZGPMFQCZ-UHFFFAOYSA-N 450.547 0.601 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/C(=O)c1cccs1)C2)c1cc(=O)n2[nH]nnc2n1 1777823041 ANJGWHPUQDAKEL-VRJXGNDESA-N 497.537 0.441 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)C1 1778085037 PSZBFENNPRIKLK-FBGZYWISSA-N 480.587 0.812 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(C#N)c[nH]2)C3)CC1 1778758166 YKPMTXBWEHFBJT-DENIHFKCSA-N 477.587 0.685 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nc1 1779100262 AGKLNYZSFWCYGS-QNZROTIXSA-N 480.543 0.458 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779922879 RZDIHAVTOOMKET-ZHRRBRCNSA-N 459.503 0.542 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)N2CCN(C)CC2)CCO3)c1 1780173027 ROWWAWVBKCRSEX-UUOWRZLLSA-N 455.559 0.646 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780938210 KXBBHZODPVDUEO-QFIPXVFZSA-N 476.555 0.231 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1781264325 VCTDYLSAEMNBGA-AREMUKBSSA-N 497.548 0.941 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781857263 AIAYKCRMTMDSFV-ASGADCPJSA-N 470.523 0.188 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783164877 GCBWQQTUBPXNIU-RHGYRFJNSA-N 476.574 0.649 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783644367 YMKGWHGRCZFOFM-NTUVXCKYSA-N 461.559 0.990 30 20 JCED CC1(C)C=C(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CN1C(=O)c1ccccc1 1783701897 YDWPXHPNJSQHRE-VWLOTQADSA-N 465.506 0.765 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)S)C[C@@H]32)cc1 1784123455 FGHYAKNNWAQTQF-QAGGRKNESA-N 469.629 0.960 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784278057 RRVYBCWUJLOATO-XSLAGTTESA-N 480.562 0.888 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3C2)c(O)n1 1785151903 QKHPKMGRHPYNTI-MGHWNKPDSA-N 471.514 0.097 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2)NC(=O)OC(C)(C)C 1785308901 ZVPAIWHXIXMJJS-JKSBSHDWSA-N 477.566 0.924 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786563611 WEVUQIWKKAZXFC-SNJCGAMXSA-N 463.538 0.488 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)C(=O)C1 1786700278 WACFCXCLPHDQMP-BZSNNMDCSA-N 489.573 0.349 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)cc1C#N 1786804231 DUIYIKDYERZEFN-WBKMXMRLSA-N 471.558 0.532 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1787472022 DLHMJCSBQKRYTL-VJANTYMQSA-N 495.621 0.788 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1788573371 VANBXBGRIWZXRA-NXNVCVFFSA-N 460.556 0.922 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1788630175 PMIVEYXFMLLORU-BXWFABGCSA-N 456.499 0.467 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)N4CCOCC4)[C@H]3C2)c1Cl 1788651693 AXHRZUKABBVIJE-ABXWHYIOSA-N 462.934 0.456 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cnn2c1OCCC2 1790369810 CVNFKZMWAHGAPN-WGOODIMQSA-N 461.519 0.788 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1790878155 FZHSCEHQKRDGHP-ZQIUZPCESA-N 451.474 0.821 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1792256820 MMEAMCUDAMXICW-ICUGJSFKSA-N 450.536 0.017 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC)c1ccc(O)cc1 1793322001 JUMFNLOIWZOCGD-CROMWVBPSA-N 462.568 0.914 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1793340059 JAGSQYZPBZDVCE-OYSTVDSJSA-N 465.547 0.250 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1793354432 VKUJQCKKEGJBSK-YSWKBACZSA-N 459.543 0.347 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 1793604316 UERYYHMMFXBKKU-RHQZKXFESA-N 481.590 0.785 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2cccnn2)C3)c(C#N)c1 1799240639 AGKRAHGJOXLBRJ-FEJSZKPUSA-N 451.483 0.568 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)ccc1F 1799327598 LTRUULZOMOKOPZ-JLVBRIDZSA-N 452.446 0.032 30 20 JCED C[C@@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800336996 QDUBCGHXINLQBR-YBWLXYFRSA-N 463.538 0.903 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)C2)CC1 1800526178 VRQQRQRMCGVIMR-VXIBKDFQSA-N 489.573 0.253 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1ccnn1)C(C)(C)S 1801395576 DOPJKBLQVOTYIN-CYGHRXIMSA-N 496.634 0.860 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C=C)C2 1802125334 FMVKJPQJPVAJFB-OGJJZOIMSA-N 462.547 0.183 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1807956511 INIXJEQMTGFRHL-WIRSXHRWSA-N 486.525 0.403 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCOCC1)CC2 1819898666 MSNQROHIGJBYHX-YNEFKOSYSA-N 451.549 0.916 30 20 JCED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1823422411 UZPMBEBDTWXRGH-USXIJHARSA-N 472.571 0.995 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(N3CCCNC(=O)C3)n1)CC2 1825663367 FDACVQQBZSAQSR-ZDUSSCGKSA-N 482.522 0.178 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828632117 DUUIBWINHWBFSB-MHECFPHRSA-N 483.525 0.613 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1828927282 QDZNNUTURXOVJT-YADARESESA-N 467.526 0.878 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829137336 HWUPCDBNEVWQPS-CJAUYULYSA-N 496.520 0.217 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1829345671 LIAGUDCIAQCOQS-JPHBTFASSA-N 476.599 0.480 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1829766297 QGDGPGLJURXUGS-LXHZQTKUSA-N 455.471 0.151 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1829807054 GXUIUEABVWAQQM-YADARESESA-N 472.590 0.730 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1830046810 JTUDSYKDBVRBLO-OAQYLSRUSA-N 463.922 0.553 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830761060 UOFHKKPYOJMYOD-HYBUGGRVSA-N 466.542 0.989 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221712 ZSADBLLPOTVROB-YDIMBITNSA-N 477.558 0.227 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1831407184 QWOOQAGPLCRTOP-GHTZIAJQSA-N 452.577 0.452 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1831999502 ZUQSLSPUUYWRKF-HXOBKFHXSA-N 497.593 0.183 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1831999953 FCRQSWAEBVEYDX-LLJLJFOGSA-N 494.589 0.533 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4C(=O)c5ccccc5C4=O)CCO3)C2)c1 1832534867 LPRHCNUGQWGIQJ-RUZDIDTESA-N 491.504 0.643 30 20 JCED COc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1832820451 FCZDXPLJCHPTRH-DEOSSOPVSA-N 473.574 0.761 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832946548 LAUFQNJNWRUCQE-CYFREDJKSA-N 489.573 0.715 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1833075075 RROUTAJFMRDNCP-PLNGDYQASA-N 466.546 0.168 30 20 JCED C[C@@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1833204055 LDVCKSLEOIXOSK-CYFREDJKSA-N 467.526 0.926 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OC)c(F)c1)CCO2 1833479806 VWBCDBZNJLVBEB-QATSOJGNSA-N 462.478 0.158 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=N)N)CC2)CC1 1833610149 KZAZNEIAJMEHHK-SFHVURJKSA-N 479.626 0.510 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4ccnn4)C3)C2)c(O)n1 1833700023 OCWBHECVBUOKOX-SBUREZEXSA-N 470.530 0.829 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C3)C2)c(O)n1 1833700295 SHPRZDNTQUNZJZ-MZNJEOGPSA-N 472.542 0.667 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)C(C)(C)O 1834767360 HEINKMGVBCTYJQ-IERDGZPVSA-N 454.524 0.021 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5c(c4)NC(=O)CS5)C3)C2)CC1 1835346495 DEIWXPDDXBAUPJ-NRFANRHFSA-N 457.512 0.500 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3COc4ccccc4O3)C2)C1 1835675311 MZIFEPYQCSDFDV-KBMIEXCESA-N 486.569 0.955 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1835677557 KJJKGGPDVBXHLF-QFIPXVFZSA-N 455.519 0.081 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1835680774 LKRCXXRSDQJKRB-VWLOTQADSA-N 485.585 0.545 30 20 JCED C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1835830808 PXSDCJQWPSWRIC-LJQANCHMSA-N 458.603 0.947 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)c(C(F)(F)F)n1 1836320476 DZJKSQQTWIQXFY-FQEVSTJZSA-N 492.414 0.851 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836377847 ASPVASVBRDELDU-NQIIRXRSSA-N 485.628 0.651 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1837440551 MWUGNKISIHUPLA-KDRRHJTCSA-N 489.617 0.706 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488381 CAHDBBJFJBALRR-QHCPKHFHSA-N 458.515 0.254 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nc1 1837528617 LQKLXMOLVXJCTM-PIVQEWKSSA-N 462.503 0.689 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837529360 RWXKRTGEFZJUTR-CZPFPOATSA-N 472.502 0.328 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)c1ccccc1 1837616082 UVJRHDQXFZSESG-CPJSRVTESA-N 485.537 0.183 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)cn2[nH]cnc(=O)c12 1838471203 JYJKVMNCCWRXOH-RUZDIDTESA-N 490.520 0.781 30 20 JCED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc2c[nH]c3nccc-3c21 1838484747 UQBBWPFXHQREAM-HSZRJFAPSA-N 465.466 0.164 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838796862 GGZJESQVAAMOHX-UHFFFAOYSA-N 480.521 0.861 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)nn1C 1838834835 BGQKKWMGYBSSCB-HSZRJFAPSA-N 453.499 0.879 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)cc(OC)c1)CCO2 1838932797 ZZSWVCITIHGQAR-XLQQFJOYSA-N 473.526 0.632 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@]2(C)CCCN2)CCO3)c(C#N)c1 1839122940 NBCSRJSXRDDTCN-DNQXCXABSA-N 456.543 0.708 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c(C#N)c1 1839132477 GWWUHGPDJCREDR-OFNKIYASSA-N 491.566 0.143 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1839174907 CMRJCVTXWMMKAH-WZONZLPQSA-N 461.515 0.375 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839175040 LSCPFYPCCJXQLW-GOSISDBHSA-N 466.409 0.058 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839647493 IOFVMCDSQFFOJG-BOHFAMFTSA-N 452.508 0.012 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2ccncc2=O)CCO3)cc1 1839662197 YSAJBHUDCACFNK-DEOSSOPVSA-N 465.510 0.204 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C1)C2 1839738860 ISLHYXPJQAOCCI-UZUQRXQVSA-N 473.530 0.382 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]13C[C@H]1CCN3C(=O)OC(C)(C)C)CCO2 1840039572 YSUAHFOXSMNWKG-WHBJXLRSSA-N 491.585 0.881 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1840714808 HZVOZTOVXWDHMR-FYSMJZIKSA-N 478.509 0.586 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C2)C1)C(C)(C)S 1846000791 CLDHFHIWFISLHN-DZGCQCFKSA-N 454.593 0.928 30 20 JCED Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cscn3)c2=O)c1 497561313 CXQKKLSQANRHJJ-UHFFFAOYSA-N 481.603 0.615 30 20 JCED COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 518127834 JBNJVKYIIZTECY-UHFFFAOYSA-N 486.506 0.582 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 609074646 IRQLPBRIZHYVDO-UHFFFAOYSA-N 450.442 0.197 30 20 JCED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 609357880 OURZZDWPPDYFQC-UHFFFAOYSA-N 469.420 0.635 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 729286619 DLRBXPRCKXQPKA-FMKPAKJESA-N 485.584 0.375 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(c3ccc(OC)cc3)CC2)sc(=Cc2cnn(C)c2)c1=O 837286520 XJTAGVHKYJNHIF-UHFFFAOYSA-N 490.589 0.690 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 849195916 MZSZYWUJRJLPBQ-RTBURBONSA-N 460.600 0.860 30 20 JCED CNC(=O)CN1CCC(NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 916692362 CNXVIMMLSYRGSD-MOHJPFBDSA-N 450.565 0.831 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C2CCN(C)CC2)c1=O 920398646 HILNHEWFBMGAPJ-UHFFFAOYSA-N 454.600 0.652 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CCO1 1299137563 JGMMKYMWGZMZQK-FQEVSTJZSA-N 453.547 0.615 30 20 JCED CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1299233094 QRGRTWOEIVEUMF-INIZCTEOSA-N 474.591 0.613 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCS1(=O)=O 1300659244 UGORJJMCMINBHV-INIZCTEOSA-N 462.532 0.630 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1541910202 RXKNDGKNYXFPQL-OAHLLOKOSA-N 461.548 0.255 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1555809484 WNCKFXWHQIHYBP-MRXNPFEDSA-N 464.573 0.333 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1555810675 IZUXUKDIBAGACA-UHFFFAOYSA-N 478.600 0.723 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCC[C@@H]1C 1706887872 SHOOHZRDULKXAH-XYJFISCASA-N 450.613 0.549 30 20 JCED C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCS1(=O)=O 1722863745 UUBMICOGRLNMOT-HNNXBMFYSA-N 466.589 0.980 30 20 JCED CC(C)(C)[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1760808586 XYWQNXPELJBURQ-ZNDDKRQGSA-N 476.600 0.600 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1768464683 UBKCJTLJWSMQAF-UHFFFAOYSA-N 460.489 0.408 30 20 JCED CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1 1769380639 RSOMAMGOHDMNDC-SFHVURJKSA-N 451.578 0.949 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778787083 KSKCBHQCRRGQLH-HKARXFIJSA-N 498.577 0.740 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)C1 1779137841 JLPIIWMIHOAGHB-PBRWIGKDSA-N 490.557 0.900 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1779138585 BOOWWDBNJYXCAA-YVABFXQFSA-N 450.455 0.245 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1)[C@@H]1SC(=N)NC1=O 1779362923 WNZJFFYGEZRNLE-MALZDPSTSA-N 478.619 0.774 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCc2nc(N)n[nH]2)C3)c(C#N)c1 1780686776 GWTFFHQQBSTDMA-NTKDMRAZSA-N 481.557 0.956 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)cc(C(F)(F)F)c1 1782030818 LDDVLMXPFGNDNX-HXUWFJFHSA-N 479.415 0.572 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783152127 RCZFVVOLTQJITB-DVECYGJZSA-N 472.542 0.953 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(Br)c(O)cc1F)CCO2 1783567358 YNDQNZLSPFZCBZ-GOSISDBHSA-N 455.236 0.825 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783682879 ZSAZRQJNYHRLQL-NXOAAHMSSA-N 452.552 0.792 30 20 JCED COC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1784260436 SVOSISCJKVDSDZ-SFHVURJKSA-N 455.393 0.772 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1784784952 BNOPJZDWMADMKZ-MPTYRVRUSA-N 463.535 0.311 30 20 JCED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3I)C[C@@H]21 1786704181 CVFRDAXWYLZOST-GVXVVHGQSA-N 457.272 0.911 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788256035 HZLXBUZLMWNRMW-STEAMIEHSA-N 459.547 0.183 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1791022318 ZORVARMRNZSOJO-QAETUUGQSA-N 461.515 0.311 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1)NC(=O)OC(C)(C)C 1793421187 MVVPSSKMPCSNGC-IWSXDTNSSA-N 466.535 0.544 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794086341 BDDPAELAXXZWRK-MHORFTMASA-N 489.573 0.873 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)C1 1795410028 WZBWABXINSWBEY-SOWBTEIWSA-N 476.574 0.888 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1795519051 VSERDNGTXXBMCF-KYHPRHEASA-N 479.582 0.036 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)[C@H](C)CC 1795557358 SUIIHTIGWSWNMO-VLUPQCQJSA-N 450.580 0.866 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1797121956 SMOCIDPOSHPLHA-OREBXVKISA-N 450.536 0.498 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1797808784 QETCQXCSCPVNEK-VXHVLIRBSA-N 489.529 0.111 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CC)C2 1800983016 NTDPTMNQIHEHGM-RZFLPCETSA-N 498.577 0.152 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSCC(=O)O)c(C(F)(F)F)n1 1801019735 GFYPRFRZGHXZAR-CULMDFNYSA-N 472.445 0.993 30 20 JCED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C3)N(C(=O)OC(C)(C)C)C1 1802504907 MKJMQZOCHJNLBT-QEOTZNIISA-N 475.546 0.788 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807145298 IWZLVOXXMKZQQO-JXFKEZNVSA-N 499.597 0.835 30 20 JCED Nc1n[nH]c(CCC(=O)N2CC[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)n1 1810292254 QVFHPWNCWHHNTE-XIZBDOFUSA-N 453.551 0.892 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1812716908 IVKGYKHAJOBPCB-FYYLOGMGSA-N 451.527 0.559 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1828926898 IAQCRPPKGJKDQJ-VWLOTQADSA-N 492.536 0.999 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCN2C(=O)OCc2ccccc2)C1 1829202562 RUNQJAVHAXTPJF-DIVYTMEGSA-N 498.580 0.200 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)cnc1OC)CCO2 1829583321 QAMSBNHMTGMBEE-XSAUMEDDSA-N 478.933 0.672 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2)c1cccs1 1829711488 ZOIXELBQFJTJFI-LFTXJPJQSA-N 479.624 0.992 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CCO2 1830385623 OHXZVEXZVRVLDB-ZGPJAWLASA-N 487.619 0.681 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1830778789 JSHFUPHDFCEYGA-PGRDOPGGSA-N 478.571 0.422 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831330952 YIXYSBQKSICDHC-AOMKIAJQSA-N 496.561 0.024 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1831401721 FVHALVCCBYGECN-SZBRSHHCSA-N 485.581 0.117 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1831434701 FTOIOOWGYFUQRI-FDDCHVKYSA-N 455.515 0.928 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831447739 ZLMJCBOKPKMBPX-QFIPXVFZSA-N 461.540 0.843 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487948 LLYPQPNEEQUYOA-DABWLCNRSA-N 451.612 0.364 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831491179 YYNXNPDLVUUSCK-OFNKIYASSA-N 478.615 0.943 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832354248 SXJMBMQLBIYIQH-VUCTXICCSA-N 488.585 0.092 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1833452053 TZWUQBBYQKDUNO-LPHOPBHVSA-N 472.652 0.459 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834321724 LBYIYFMFGRAIHV-HXOBKFHXSA-N 477.562 0.960 30 20 JCED O=C(Cn1ccccc1=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834824342 USMHCFCEXZSEIX-IOCYEQIYSA-N 473.574 0.949 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1835116379 IMEORKPEQAMEHN-LFVJCYFKSA-N 493.630 0.696 30 20 JCED CCn1c(-n2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cc2C)cccc1=O 1835342569 WAEWPZOPICYGHS-RUZDIDTESA-N 494.552 0.736 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc([N+](=O)[O-])c1OC 1835345873 IAGXQGZATIXLPG-JOCHJYFZSA-N 474.470 0.986 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835351074 JIHGAEFYCJQMBP-MBSDFSHPSA-N 495.598 0.890 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)C1 1835675255 KXFUNNXRELXZAJ-PXDATVDWSA-N 483.569 0.918 30 20 JCED COc1cccnc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675415 QPSKTPPKOTVATQ-XMMPIXPASA-N 473.574 0.761 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1835683552 KNZQWNOWNVRZMV-QFIPXVFZSA-N 450.624 0.613 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CSc3nc[nH]n3)CC2)CC1 1835769108 TWTQQGNVTKXURA-AFEQLLIESA-N 479.607 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CN)c1ccccc1)CCO2 1835807125 LHUWCQCSHGTKRS-QMVIGNOCSA-N 456.543 0.044 30 20 JCED NC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccccc1 1835817727 GKDPORRLVDZBEU-LUKVOKQUSA-N 454.527 0.897 30 20 JCED C[C@H]1Oc2ccc(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)cc2NC1=O 1836126695 DUHPYZWBUABHOR-OAHLLOKOSA-N 468.510 0.679 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)c1 1836128363 KBCYRYJWCAPOTI-DEOSSOPVSA-N 482.493 0.660 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836297717 FYMUSSFVSGSTLS-KSFYIVLOSA-N 478.550 0.653 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836986386 SVSLICHTEALEHM-ALUBYUQESA-N 471.514 0.933 30 20 JCED CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)C1 1837531104 CSYBISUDUOHLFL-YNMHEXEPSA-N 452.552 0.314 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1837692892 ACTFIALSWZLWER-YTZAWJCFSA-N 494.589 0.603 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)cc1 1837943613 QSSFYDALEODGGN-QHCPKHFHSA-N 465.466 0.359 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)c(C#N)c1 1838375632 GJQJKVMGSHMGMU-HSZRJFAPSA-N 467.482 0.375 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(O)c3ccn(C)c13)CCO2 1838440238 SCNXUMPBPDGNKN-DEOSSOPVSA-N 486.525 0.858 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cn2[nH]cnc(=O)c12 1838472409 JSDSBQAPJXFUAV-JOCHJYFZSA-N 454.487 0.095 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c([N+](=O)[O-])c1 1838740899 ZDQPWOFJTJSLQR-HSZRJFAPSA-N 497.464 0.965 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044042 IQFXQYRDVGBJJH-DYESRHJHSA-N 482.628 0.302 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cncnc4)C3)C2)c(C#N)c1 1839131683 SKZZESPIOSUZNO-HSZRJFAPSA-N 451.483 0.670 30 20 JCED CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1839212324 XMTVTKFMUJGYIM-ZHRRBRCNSA-N 467.519 0.224 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1839223950 CACNZHBTNUJIDV-UTSGNWPNSA-N 458.559 0.958 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(N4CCOCC4)c3)CCO2)C1 1839344278 VWDKBTJJTSRGIX-NBGIEHNGSA-N 471.554 0.632 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H]5[C@H]6COC[C@H]65)C4)C3)c2c1 1839489508 ZNLLMVVGTXDPEP-MUCNXURCSA-N 451.483 0.397 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719841 QQCJHSOLUFMECC-MBSDFSHPSA-N 477.562 0.878 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1840157521 RQDHNFBFRHXQEC-ZJTDPSCFSA-N 471.576 0.340 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1840166696 XXKDLZPPBMKHOY-CYFREDJKSA-N 477.558 0.825 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cnc(C)s1)CCO2 1840517189 DBLFFSQUKYWPTI-FJDKVYNBSA-N 460.556 0.780 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1842911757 SOLYBSKWKFAQPC-DWLLQQPHSA-N 467.567 0.961 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846119308 GUGQFVCZXVFGTF-MRXNPFEDSA-N 488.541 0.041 30 20 JCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCS(=O)(=O)C23CN(C(=O)OC(C)(C)C)C3)C1 1846141275 IOXQENIYMSYFIA-LSDHHAIUSA-N 487.644 0.932 30 20 JCED CC(C)CNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 18662226 NFFTWINWDLSZKT-UHFFFAOYSA-N 450.517 0.984 30 20 JCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cnc21 488886818 QUDYDWMGZAUNPY-UHFFFAOYSA-N 483.466 0.665 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C1CCN(C)CC1 516375791 MFGGGCVWGIFIFR-OAHLLOKOSA-N 458.559 0.970 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 522278438 JFBPRWPEJSHZBP-AWEZNQCLSA-N 460.512 0.509 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 523081537 YXCWGLDFKWMZMC-UHFFFAOYSA-N 485.566 0.522 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2-c2ccc(OC)nc2)CC1 524234457 QNMMAPLXGABOEZ-UHFFFAOYSA-N 465.535 0.563 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(Cl)c1 524274823 AKJMOISTAPJWEM-UHFFFAOYSA-N 473.942 0.560 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCCC[C@@H]3C(N)=O)CC2)cc1 729971280 VMUPKCUEKQESCA-GOSISDBHSA-N 462.528 0.369 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CC(=O)N(C)C 746483753 LFXKZWAACDJRNC-UHFFFAOYSA-N 472.592 0.534 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3F)CC2)o1 915376598 GBXHKHFTHACQRN-UHFFFAOYSA-N 465.463 0.164 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)cc1 915760833 DKVFRTZCISPIPV-UHFFFAOYSA-N 455.500 0.724 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCOC 916198682 SQPIQSNCNULCEU-UHFFFAOYSA-N 458.540 0.170 30 20 JCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)c2)CC1 920186962 ASGVMSRVYRJJAN-UHFFFAOYSA-N 471.543 0.056 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1 1301775568 RLSPPEJDZFWGAR-UHFFFAOYSA-N 466.546 0.219 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359151165 OJBGOHFNMPEFSI-HNNXBMFYSA-N 465.967 0.753 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1611663982 VKPHDULOPRPSSX-INIZCTEOSA-N 475.575 0.645 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1617384589 OGKWZFMVJUMRJO-UHFFFAOYSA-N 469.575 0.816 30 20 JCED CC(=O)N1CCC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)C1 1690809828 OHYVGAQTUWXHOQ-WOJBJXKFSA-N 493.634 1.000 30 20 JCED CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1696914690 SBJBHCQAFBHVRH-KRWDZBQOSA-N 469.546 0.796 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOCC1(C)C 1723781308 YOLNYOYRNVSDRD-DLBZAZTESA-N 469.612 0.460 30 20 JCED CCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1765579840 JPMHSBICGMYTAZ-UHFFFAOYSA-N 470.559 0.964 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)c2C1 1778369138 QLMRQTAOWLMKIU-HSZRJFAPSA-N 485.545 0.776 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)[C@H](O)C1 1780330066 IQNZBJPUFQBWBL-PDOGEWKWSA-N 487.557 0.948 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1780899147 KDDOXVWJOWILNH-DRGPAVDCSA-N 472.517 0.632 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1781169422 PAYZJLNFLSYMPY-YZZKKUAISA-N 489.577 0.761 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781339288 BUDBAGUAMMZNRQ-DRSNIGMVSA-N 470.567 0.893 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1)C(C)C 1781386025 BEHIYLLMEDEGJU-ACTFIFLWSA-N 484.619 0.506 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1781400945 RVNRPNPSZSSAJD-JKSBSHDWSA-N 469.583 0.859 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)OC)C[C@@H]21 1783533323 VESOOXXUDGNAQR-UYJVTVBISA-N 459.543 0.580 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1783770759 CVKVIOVPENKHPW-IERDGZPVSA-N 473.592 0.720 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1783772091 ZGGOQCASAGHYCE-YGKZAACZSA-N 464.563 0.812 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4C(=O)C=CC4=O)[C@H]3C2)cc1 1784802503 UWDHSURKJOQJRL-UFYCRDLUSA-N 450.495 0.396 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1785574508 LNRIQLGNLKLIBK-VGOFRKELSA-N 453.536 0.396 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)(C)O 1785611797 SRSYOCZIPMDVBB-MZNJEOGPSA-N 495.621 0.762 30 20 JCED CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)nc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c3ccco3)C[C@@H]21 1787393530 OULLGBOCHBKYTH-UQGVDKHISA-N 478.546 0.564 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(I)cnn3C)[C@H]2C1 1787777234 HTDDEJXQSHSVGN-ZPFDUUQYSA-N 478.356 0.936 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)N4CCOCC4)C[C@@H]32)c1Cl 1789270233 IKTNCVVUWYCZIK-DBSRCYSRSA-N 462.934 0.456 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1 1789972442 WLWFZZQNFVELDT-FJIDUMEYSA-N 460.535 0.174 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC1 1791078881 DUKZEUWBGJIFJY-BZSNNMDCSA-N 488.541 0.595 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnc4ccccc43)[C@H]2C1 1791175072 SWAFLTVMMPSWCI-VWZTXQRKSA-N 451.527 0.874 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)NC(=O)OC(C)(C)C 1792109073 RUGLNRVBABTLRW-XSLAGTTESA-N 463.531 0.914 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1793593316 GIUQCYDRRIXBOT-HIRMHNASSA-N 492.533 0.850 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCCC2=O)N(C(=O)OC(C)(C)C)C1 1795452243 IRRONHGUTGWABP-NYUBLWNDSA-N 476.574 0.764 30 20 JCED CC(C)CNC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994435 KWZJTUHIADOLPY-YWVIFJGQSA-N 467.448 0.947 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1796027178 GXUDLQZNWVQPCN-RHXYOOSCSA-N 463.579 0.725 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2)[C@H]1SC(=N)NC1=O 1796430110 ZVSHLYSBCHOYMU-WPABPAFWSA-N 473.530 0.632 30 20 JCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)N2CCOCC2)C3)c(C(F)(F)F)n1 1796459044 NIXLBSVZLYNOFQ-YYQBIWNASA-N 467.448 0.874 30 20 JCED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797816702 QHDXEMDZVDCQDA-INAUSIBBSA-N 471.551 0.175 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798498663 HQWKHIUWCWYOMK-AKRATLQISA-N 495.577 0.922 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798498664 HQWKHIUWCWYOMK-SPNGWSKQSA-N 495.577 0.922 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)c1ccc(C)cc1)C2 1799304092 XRLDJLUKEZZPFI-OPMZPASUSA-N 478.567 0.868 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)S)cc1 1800981615 OGTYFKFQQQEJOG-WXQHOCMDSA-N 455.602 0.570 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2)c1ccc(O)cc1 1801054130 HKJRDINVTPKTIU-PHTMTLDSSA-N 456.543 0.072 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)n2cnnn2)C3)N(C(=O)OC(C)(C)C)C1 1801103133 CTYOMFXHDPNPGA-DFBDCSAJSA-N 475.550 0.389 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2)NC(=O)OC(C)(C)C 1801930142 VMNHLKVKEIRCAB-WNSDDWSPSA-N 466.579 0.947 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N)s1)C2 1802127409 OPJZEAMOHCCLCE-FQLMCAECSA-N 463.560 0.845 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(F)CN(C(=O)OC(C)(C)C)C1 1802197551 CRVNMLYEMDIIPK-NXOAAHMSSA-N 453.511 0.573 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)C1 1804851110 MXNZYKIOLFZGSI-QWPQOLDESA-N 454.593 0.404 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1807027605 ZQGNHWHMYIJTBV-GHTZIAJQSA-N 478.486 0.511 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814929843 ZYVXTVXCLXDBDW-DZGCQCFKSA-N 489.602 0.812 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)CC2 1814976545 VBRBQMBDEDTJFG-NSHDSACASA-N 491.599 0.802 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)C1 1822725491 XXJKXOSWDRUYCI-SCRDCRAPSA-N 478.527 0.371 30 20 JCED Cc1cn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=N/O[C@@H]2CCCCO2)CC3)c(=O)nc1O 1827994618 PGSKMFWTDJKZED-WWHOPUCKSA-N 490.542 0.855 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1829345677 LIAGUDCIAQCOQS-LDQAXMLRSA-N 476.599 0.480 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCN2C(=O)OCc1ccccc1 1829372606 IUGFPJFBQPGHGG-RUZDIDTESA-N 480.521 0.940 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1 1830054643 VTAOBKGAXKXBIO-JOCHJYFZSA-N 463.556 0.775 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830886164 CFDCOFBYCXMHOO-HTAPYJJXSA-N 451.520 0.597 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1832458592 RVGNIYKMPGBLRJ-OAQYLSRUSA-N 452.621 0.142 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1cccnc1)CCO2 1832724042 KPJXMSZVSSLCSE-HSZRJFAPSA-N 460.531 0.251 30 20 JCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833273123 MTBCPRYHHUSURL-LJQANCHMSA-N 450.580 0.857 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)c4cc5n(n4)CCNC5=O)CC3)CC2)cc1 1834325816 NIYSVJPCTLBYMG-UHFFFAOYSA-N 489.580 0.926 30 20 JCED CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1835250564 UUMGAJIXLLIRKD-HXUWFJFHSA-N 454.932 0.193 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348054 NJASRIKKSHMYTK-QMHKHESXSA-N 494.545 0.203 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1O 1835680520 JUIVOQGIFXWQOQ-XMMPIXPASA-N 487.557 0.702 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1835680634 ISRUUWGRQVPUHE-UZUQRXQVSA-N 458.563 0.253 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1835717000 HKYPLGHCBNZUAB-KNQAVFIVSA-N 463.667 0.767 30 20 JCED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)N4CCOCC4)CC3)CC2)cc1 1835766845 RCQAWXUVKAWDKK-VWLOTQADSA-N 469.586 0.588 30 20 JCED CC(=O)N(C)CCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835767121 CIYRIBARVDMREM-HHEUTOACSA-N 465.595 0.955 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)c(C)c1N)CCO2 1835867925 PANKTDGKDWCUAO-FUMRIQNTSA-N 460.506 0.645 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)c1 1836419156 VMSOEYIEHFYRFN-QFIPXVFZSA-N 456.430 0.887 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1837396706 KUQMCQFSQNECQM-NTKDMRAZSA-N 457.527 0.824 30 20 JCED COC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837432879 RWCWUCAQERBGCZ-OAQYLSRUSA-N 453.612 0.850 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1837492625 MTYPPQIFZNNNCT-XMMPIXPASA-N 458.511 0.866 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccccc1 1837615140 BSCMKJAYPRGDJK-LVXARBLLSA-N 479.533 0.565 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cc(C)on4)C3)C2)c1 1838582484 OIYSEAUNROCJDT-DEOSSOPVSA-N 497.508 0.363 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908089 GTGDGMOLZSNZMB-FDDCHVKYSA-N 474.514 0.471 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1839136109 HBGYABWUJUFXQZ-UZUQRXQVSA-N 483.562 0.865 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1839173381 MFGRAHYWKOETNO-ZMXFDXOUSA-N 499.564 0.825 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204493 RWHKQDNJFTYLCM-BSRJHKFKSA-N 469.579 0.931 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)CCO2)C1 1839470545 UUBMIKYVASKLMZ-HJPURHCSSA-N 491.497 0.720 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1839784097 JAPFWPULWBJOJC-WIYYLYMNSA-N 465.503 0.345 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1)c1ccc(O)cc1 1840219920 NBOMHUQTEYNLEN-YADARESESA-N 467.526 0.788 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1)c1ccc(O)cc1 1840220873 HKYUQPWYXKNEKW-BVZFJXPGSA-N 496.520 0.861 30 20 JCED N#CCCC(=O)N1CC2(CCCN2C(=O)c2ncn3c2CNS(=O)(=O)c2ccccc2-3)C1 1844623673 RFQNEMDMLZBEQP-UHFFFAOYSA-N 454.512 0.785 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1847069409 MBDPOAVNXNRBFW-SJORKVTESA-N 494.589 0.992 30 20 JCED C=CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1[C@H]1COc2ccccc2O1 21089453 QFARGNVKBCHOAF-OAHLLOKOSA-N 470.511 0.931 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)CC2)nc1 501475141 FAZDSSDUTACLPJ-UHFFFAOYSA-N 461.526 0.942 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)c1 515635282 CWKPJOVBIICWOI-UHFFFAOYSA-N 467.525 0.855 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)CCC2 518724042 ARGYSIGEOSZTAL-OAHLLOKOSA-N 463.563 0.775 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CCNS(C)(=O)=O 524282074 ORUTXDLBHBNXKU-UHFFFAOYSA-N 490.607 0.053 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828627 DRKPJLSSWIBZBP-UHFFFAOYSA-N 468.560 0.163 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccccc3)c2)c(=O)n1CC(N)=O 608911202 RIIGJDUSAYEPBU-UHFFFAOYSA-N 476.558 0.718 30 20 JCED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC1CCN(CC#N)CC1 609341912 CXNFJCNEELLXOA-UHFFFAOYSA-N 493.586 0.537 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 726575257 HKQXRJXKZPMQHV-UHFFFAOYSA-N 471.502 0.268 30 20 JCED N#Cc1ccc(CN2C(=O)CN(CN3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)C2=O)cc1 726586916 RFNUHRVROVOBOI-UHFFFAOYSA-N 468.539 0.750 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)CC1 728608948 YPPZQDIFTOHIAV-UHFFFAOYSA-N 462.553 0.762 30 20 JCED C=CCNC(=O)[C@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 729627385 JFCYVLIBSUOOQI-HNNXBMFYSA-N 464.544 0.761 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 811966047 JEHJTNKXCZVTMK-UHFFFAOYSA-N 479.536 0.577 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)NC(C)C)CC1 819936827 MFTWPWGBNYMGQM-GOSISDBHSA-N 463.604 0.953 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4nccn4)nc3)CC2)cc1 918309860 INAFFMWYSUCPHM-UHFFFAOYSA-N 466.483 0.006 30 20 JCED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1=O 919315621 KXPUAHWVCXBALB-QHCPKHFHSA-N 498.517 0.905 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1301809909 RLMNMXYPVCNSJP-HOTGVXAUSA-N 458.610 0.873 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 1359474118 NOTOOPPIJXDNKC-ROUUACIJSA-N 482.655 0.233 30 20 JCED CC(C)NC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1360265923 YCELORMPVHBIGJ-HNNXBMFYSA-N 450.503 0.835 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1360302009 OVHOGLWFPXDICS-VWLOTQADSA-N 496.616 0.442 30 20 JCED CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)Cn4cnc(C#N)n4)CC[C@H]32)CC1 1451450547 SYFQDAUMMMGIFA-JKSUJKDBSA-N 458.523 0.544 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1508375146 ISFJABYVFLTFAX-WOJBJXKFSA-N 487.586 0.582 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CCO1 1554443651 ZMLCYRHGYVVZNU-KRWDZBQOSA-N 460.560 0.981 30 20 JCED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1711275451 KWCDIFPTFMQAAH-QFIPXVFZSA-N 489.602 0.267 30 20 JCED CC(C)N(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723525813 KBDSJXXEPGNHLN-UXHICEINSA-N 494.666 0.518 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749269068 MJTRIRIDTXZVHY-CVEARBPZSA-N 460.988 0.716 30 20 JCED CC[S@@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766733712 JBDHEQBTTFUMRK-LHEBDHONSA-N 480.620 0.250 30 20 JCED CN(CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1768893535 VCDZCUOHWXPOCE-HUUCEWRRSA-N 495.528 0.224 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)c(C)n2n1 1777779620 BLLIDYGNPZVBPT-JOCHJYFZSA-N 454.535 0.467 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2C1 1778372535 CMQHIIOXFGWIPT-QHCPKHFHSA-N 487.513 0.165 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1779202192 BUPGGGCNHQIAEE-JMUQELJHSA-N 476.505 0.818 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(C)=O)CC1)C2 1779336920 ZAGFYCUHZUVYPG-DCLXLUIPSA-N 464.607 0.238 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)c2cc(C)on2)C1 1779434492 YLFSJZKERBFIMS-PMAPCBKXSA-N 462.547 0.800 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)CCO3)C2)c1 1780334202 GTWRDMGJHCJCHE-HSZRJFAPSA-N 472.465 0.528 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780701879 XVFWLDZPHVAWTF-MHECFPHRSA-N 485.541 0.770 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)[C@@H](O)C1 1781112277 PPMLJJUCMBMJHZ-XFAGBWLFSA-N 493.605 0.326 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1781165782 XJPHTSLFWIRFRO-LLJLJFOGSA-N 494.589 0.576 30 20 JCED CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(C#N)c1Cl)C2)C(=O)C(=O)O 1781540636 OHRJMVCLLXOOGW-OPAMFIHVSA-N 476.917 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn(C(F)F)c3=O)C[C@@H]21 1783531774 VKRZFEAEMAHQQR-QTIVQTDVSA-N 464.469 0.695 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COCC)CCO2)C1 1783883451 IQENOJTUHMWQQR-GAJHUEQPSA-N 498.577 0.658 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1784493947 ITUNJSCZJRWRQC-DWRORGKVSA-N 455.552 0.792 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2)n1cnnn1 1784603596 QCUYAYMQYUHCSO-VTJXTGGHSA-N 497.622 0.666 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1784785745 PHJCGEGPLCXAST-FPSMNIFISA-N 452.552 0.570 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cnnn4)C[C@@H]32)c(C(F)(F)F)n1 1787199174 GEYHIEUEKJOMSE-CQDKDKBSSA-N 464.408 0.252 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787493385 UGHMGNYSUBEPIW-OFDCYSCDSA-N 469.567 0.883 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C[C@@H]21 1788575494 KTVRHMWRAHYYHC-BVPXEZJJSA-N 459.591 0.885 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631433 ONBZNQPQAJOTSR-HAGHYFMRSA-N 493.601 0.550 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNCP(=O)(O)O)C[C@@H]32)c(Cl)c1 1790229815 AKMXLFCJNDUFQD-QRTARXTBSA-N 470.850 0.530 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1792223193 CPWATVKWRSQWTC-JPLJXNOCSA-N 477.558 0.836 30 20 JCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1793570974 WVEQPSDNFFFZBV-LLLHUVSDSA-N 472.567 0.518 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N(C)C(C)=O)C2 1793597732 VHWMDAWIESEULG-IQZDNPOKSA-N 466.579 0.912 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2 1793599564 ZQYPYDDOIFWTBA-CXHZTBPHSA-N 464.519 0.840 30 20 JCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794111431 OYPUFSCDLDQUPV-NFFDBFGFSA-N 452.458 0.794 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCC 1795213155 GMBCHUYCQJMJLY-SFNKJDCFSA-N 498.577 0.418 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1795584625 OGKPXTKLMTXEGR-PFSVVFQQSA-N 477.562 0.530 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795997609 SZLDJSQFFGVLJT-LBFBHYQSSA-N 484.431 0.791 30 20 JCED O=C1Cc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)ccc2N1 1797329917 HXPVUQFWBOROML-YRGWCREKSA-N 456.499 0.913 30 20 JCED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1797759050 YEKYHWSFDYVSIB-ZSBFGKGUSA-N 455.544 0.122 30 20 JCED Cn1c(=O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)nc2ccccc21 1797812509 UWDZZGYDLSEVJK-KYMBBGCHSA-N 483.525 0.666 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2)C3)C1 1799200085 RCYZKGVSAIODKF-LUYSREMJSA-N 484.553 0.989 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2 1799233151 LCJAFKZWVBXOHC-UVBQOVKKSA-N 478.590 0.797 30 20 JCED CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800906632 YMCVHIWXWDVCMC-XFIYOXNOSA-N 459.609 0.949 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)c(C(F)(F)F)n1 1801733347 SOVDNDOYJOXCAV-MUJYYYPQSA-N 469.464 0.510 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1802087117 INKNQYXBNOLMIE-JCECYMMASA-N 498.577 0.833 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1804095108 YMTBKCOURGZBNQ-VGSWGCGISA-N 476.493 0.833 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1804428588 FXPXPIGCTSHWRG-KSWRQPAISA-N 452.552 0.984 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810564842 DZQXFJIMGXFACF-QNWVGRARSA-N 470.570 0.937 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CSc2nc[nH]n2)[C@@H]1c1cccnc1 1813344320 JHZGHUNKZNGYDJ-MARJLNQVSA-N 455.544 0.856 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671721 NCVFAOFIOHMDHR-WCQYABFASA-N 494.526 0.600 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCOC1=O)CCN2C(=O)OCc1ccccc1 1828562788 MEZOFSXGNHZVPQ-QHCPKHFHSA-N 454.483 0.524 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=N)N)CCN2C(=O)OCc1ccccc1 1828969572 IHNCLPVBWSTCSX-QFIPXVFZSA-N 455.519 0.225 30 20 JCED CCC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)COC1 1829261453 RXNGYGAQXCVBIS-RUZDIDTESA-N 483.521 0.953 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 1829262447 QQFZOZRAAPUOOH-DEOSSOPVSA-N 452.511 0.694 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1829464825 MPCAOZQFUNITNH-ZEQKJWHPSA-N 498.580 0.503 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc([Si](C)(C)C)c3)C2)C1 1829770301 IMVJIGBSHLTRLU-KSEXMQBYSA-N 475.618 0.753 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CCO2 1830385618 OHXZVEXZVRVLDB-KONLNQBCSA-N 487.619 0.681 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1830635405 YTCYDYXPMNDQKG-UWJYYQICSA-N 457.593 0.539 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1830768896 JSQBPBOKZNAEQC-TUNPYTPMSA-N 452.552 0.456 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218563 XHWMYLLUMWPWPJ-HSZRJFAPSA-N 451.483 0.923 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3-c3ccccc3)C2)C1 1831393617 YWLQUFSPWAVIFI-YADARESESA-N 452.511 0.981 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1831399742 ZVRRREPTPDOEOV-WDKBRQFPSA-N 459.499 0.251 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1831998767 SIXXUHKHGYOVFY-FDDCHVKYSA-N 477.562 0.809 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)CC1 1832112219 ZRAHWZUGJMFTOI-JOCHJYFZSA-N 480.562 0.509 30 20 JCED O=C(N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1)C(F)(F)C(F)F 1832182804 GLSAKFYAWFSXLZ-GFCCVEGCSA-N 472.285 0.698 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3csc(C)n3)CCO2)C1 1832971572 JUFQJRNMDQMZFZ-OAQYLSRUSA-N 451.545 0.960 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CC2)CC1 1833464416 YIRZSAMOBQGQBZ-NMMYMHLASA-N 498.624 0.776 30 20 JCED COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1F 1833485084 YYKQNURXPDMGFV-JOCHJYFZSA-N 463.510 0.581 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833614142 DJPLMCKLHOVFEA-LJQANCHMSA-N 460.575 0.446 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c1 1834735850 ZSPGTHUZJWPCGR-OAQYLSRUSA-N 454.575 0.645 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c(O)n1 1835441362 LCUYGYUGLAIRLS-RUZDIDTESA-N 488.585 0.698 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835513852 LGPSWEVWFRQNNU-KSFYIVLOSA-N 499.634 0.929 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1835677157 JGIVZYGNFNVEGX-XMMPIXPASA-N 466.542 0.982 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1835677467 JJJSGRCSCKPIRS-XMMPIXPASA-N 481.557 0.619 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1835849516 UUNDJDIKDWYZSK-NRFANRHFSA-N 457.512 0.746 30 20 JCED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1836075309 MTDVIZLCBMBNPX-JOCHJYFZSA-N 455.471 0.328 30 20 JCED C=CCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1836516118 QLTZIVQISFDBIN-RBUKOAKNSA-N 477.631 0.314 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4ccsc4n3)CCO2)C1 1837048146 LBJQKOAKVDGATC-OAQYLSRUSA-N 460.560 0.748 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1837393653 YESDSDRTWWOXLQ-FDDCHVKYSA-N 462.547 0.164 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837499232 HBYRKLXRJYELSO-REWPJTCUSA-N 473.482 0.123 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1837525316 UKHGJYCFBHHTAP-HFUKASDHSA-N 480.562 0.374 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837968489 AYZYUJXXOFSEHU-JMQQFMRHSA-N 451.476 0.371 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)cc3-n3nccn3)CCO2)C1 1838629484 MFENVZJKAAEKLD-DVECYGJZSA-N 467.526 0.684 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1839173840 OPKOOWZORFANJW-HSZRJFAPSA-N 460.483 0.995 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CCOC1 1839191338 FPYXVWVDVSNLAN-DNQXCXABSA-N 477.558 0.540 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c([N+](=O)[O-])c1 1839233330 AUDPUYDJARPANI-XOBRGWDASA-N 453.517 0.921 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C3)C2)c1 1839453650 WHBVNIRTGNOYHO-DVECYGJZSA-N 488.541 0.780 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532510 JTKNIHIOVIWZEA-PIVQEWKSSA-N 461.519 0.428 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5(O)CCCCC5)C4)C3)cc2C1 1839621967 DBQYUKLXQHDXJQ-AREMUKBSSA-N 499.612 0.487 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839717311 FRKSCPPKXJDYSJ-XMMPIXPASA-N 480.477 0.265 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)cc1 1839783982 GHJOTLUQIHROJO-UGKGYDQZSA-N 461.540 0.400 30 20 JCED CC(C)(C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ncc(Br)cn1 1840040128 PDBKXAVBWOEJIE-FQEVSTJZSA-N 495.330 0.061 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)ccc1F 1840358400 FIHXAHWVTLRRRY-JOCHJYFZSA-N 456.478 0.378 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)CCO2)C1 1840757166 QSDKAZQNTPIOEB-AOMKIAJQSA-N 461.471 0.712 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1)NC(=O)OC(C)(C)C 1840796005 NRDXLRKSRJMYAM-UZUQRXQVSA-N 492.577 0.745 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)CCO2)C1 1840798588 WNMSPUJAZHGIJY-IEGUWTFLSA-N 499.630 0.737 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1840909233 PDKNRTLBVRMYTH-CPJSRVTESA-N 486.569 0.997 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1840913076 WYVWYOUVFJBNPG-ROCUTNNOSA-N 479.574 0.683 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C1 1843409811 JVVBTMTVCGMPJX-ILXRZTDVSA-N 477.587 0.909 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)NCCC#N 1847437534 XHQCYSCLNCCIRW-GTAWCEEGSA-N 455.559 0.649 30 20 JCED C=CCn1c(SCc2nc(N)nc(N)n2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 17719722 SSYOQRVZSQILOR-UHFFFAOYSA-N 489.587 0.794 30 20 JCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 21710249 SWCOFBSBHFPEGC-MJGOQNOKSA-N 461.519 0.700 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC2=C(C(=O)OCC)[C@@H](C)NC(=O)N2)ccc1F 31223010 UWXSTKQDZMKHCM-LLVKDONJSA-N 455.464 0.965 30 20 JCED CSc1nn(-c2ccccc2)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C#N 501742445 BSHATJVXGBMJBT-UHFFFAOYSA-N 450.484 0.852 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cn1 507541952 JKUSUUAHEWPOSR-UHFFFAOYSA-N 497.942 0.633 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc3c(c2)CCO3)c1=O 511063205 MJXSYIKTBSNPIT-GOSISDBHSA-N 497.573 0.596 30 20 JCED Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 512362425 JOQGKHNQXIXXHO-UHFFFAOYSA-N 495.565 0.782 30 20 JCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(OC)c2Cl)c1=O 518075352 YORAWISJUZJBIV-UHFFFAOYSA-N 463.943 0.962 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 726045041 CQNSERFNADECFV-UHFFFAOYSA-N 495.535 0.386 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1-c1cnn(CC)c1 726181016 YHFUMJYQAHTYOZ-UHFFFAOYSA-N 480.594 0.985 30 20 JCED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)cn1 727160899 LNZAJVAAHXHXTH-UHFFFAOYSA-N 453.499 0.872 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CCS(C)(=O)=O 729672898 NLOVQBNZXXOKDK-UHFFFAOYSA-N 495.648 0.714 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OC(F)F)c1=O 729674983 PUIYZPYGAONZFB-UHFFFAOYSA-N 483.518 0.337 30 20 JCED Cc1ccc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1S(=O)(=O)NCC#N 731183526 YVVRANIOMAWMJQ-UHFFFAOYSA-N 487.563 0.704 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CN2C(=O)COc3ccccc32)CC1 749249065 WDTYEBJLHZUUPR-UHFFFAOYSA-N 498.517 0.360 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)cc1F 838689543 HYLSLLSUXRBNRO-UHFFFAOYSA-N 459.478 0.566 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCSc3ccccc3)c2=O)cn1 839333791 CJSJINGYWUUMPC-UHFFFAOYSA-N 481.603 0.797 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1C1CC1 839381985 UANFFHGYKCBYCU-UHFFFAOYSA-N 490.589 0.382 30 20 JCED C/N=C(/NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1)NCCN1CCOCC1 849073954 RHRKRUDCGJYWBV-UHFFFAOYSA-N 460.623 0.269 30 20 JCED Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)c1nc(O)c3c4c(sc3n1)CCCC4)c(=O)n2C 916846930 IADPIDRGQMNTNY-LLVKDONJSA-N 465.495 0.899 30 20 JCED Cc1c(NC(=O)[C@H](C#N)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(=O)n(-c2ccccc2)n1C 916961440 QMZKYKOMTQHYPO-WAIKUNEKSA-N 464.482 0.852 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2cccs2)C1 1302480808 VEAAGDLNRNFGPG-LIRRHRJNSA-N 497.578 0.544 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1([S@@](C)=O)CC1 1541675601 QVHJPZLBSIWGLO-NJHFVCTFSA-N 471.591 0.704 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690329205 USAASGBLIHOAIS-OLZOCXBDSA-N 455.006 0.406 30 20 JCED CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1711213153 XWJZXTXASFUEDO-CABCVRRESA-N 454.553 0.776 30 20 JCED CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1729719332 ZFNZDSRQYTVYTN-CQSZACIVSA-N 478.554 0.362 30 20 JCED CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1751216994 XYMMGTRAKMZVHC-TXPKVOOTSA-N 457.576 0.687 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCOC1 1761497699 KWWYMGYPJYLTOO-FUHWJXTLSA-N 474.591 0.908 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1)NC(=O)OC(C)(C)C 1778793880 UIMMSXTYVWTLLX-TXBYWVTISA-N 498.577 0.740 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779179479 AJTAZKHGCMSMKS-MHECFPHRSA-N 469.542 0.123 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)nc3cccnn13)C2 1779397365 XLUJPDXXKRFYTI-CJFMBICVSA-N 493.564 0.916 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c1 1780089430 YZFDJDUMUGIYFP-YZZKKUAISA-N 469.498 0.292 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)[C@H](O)C1 1780330069 IQNZBJPUFQBWBL-RGZWJVDOSA-N 487.557 0.948 30 20 JCED COc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)ccc1[N+](=O)[O-] 1780693247 JLGOCURKWUYESR-XMSQKQJNSA-N 459.455 0.748 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1781270684 SKSFQWMPSISOJL-DEOSSOPVSA-N 474.510 0.789 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781379870 GSQSWOMPYMDKBP-REWPJTCUSA-N 472.579 0.494 30 20 JCED COc1c(Br)cccc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781578413 RNGIYOHCKFWETM-IBGZPJMESA-N 451.273 0.989 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5n[nH]c6c5CS(=O)(=O)C6)CCO4)C3)c2c1 1782195963 NKQUHSUCDYAVPS-QFIPXVFZSA-N 495.521 0.343 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)CO1)CCO2 1783052960 KKZFAEMOHJSCKJ-YWZLYKJASA-N 457.474 0.721 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783612393 WHGHYIXGKHAAFK-ZHSNQQFMSA-N 465.547 0.225 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H]5CCC(=O)NC5)[C@H]4C3)c2c1 1783630297 CVRXDWLXHKWENE-YEWFCNIMSA-N 450.499 0.554 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783679650 MEYYBIXLNHXEFN-HSZRJFAPSA-N 472.579 0.495 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]3C2)C(=O)C1 1783685595 QCMFBQXBFRDCJM-BZSNNMDCSA-N 491.589 0.595 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CN(Cc3ccccc3)C(=O)OC)C2)C1 1783686818 MFLIEJFJSJUUTL-HAAQQRBASA-N 484.553 0.943 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1783706902 HZOOOOGXBNGFQH-FLXFCEPUSA-N 450.536 0.588 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)NC(=O)OC(C)(C)C 1783784188 NGDNFYGTCUZDLB-QRQCRPRQSA-N 466.535 0.822 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783928621 LKAVTHYMJSCEAO-PBNUPURSSA-N 483.562 0.902 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(Br)cnn3C)C[C@@H]21 1784482267 JJGPTLJKKMSUTE-YXWQFLTLSA-N 453.337 0.814 30 20 JCED O=C(CCNC(=O)c1ccc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1785249203 MMXNSISSQFTLAU-ZNTQFVCHSA-N 475.546 0.643 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)CCOC1 1786698517 RHJBJTDNYPLAJY-DSFVOBFGSA-N 462.547 0.954 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]2C1 1786848009 UPHUBZQDFKNFIN-OYSTVDSJSA-N 482.622 0.781 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1787393543 PHTZILXCFPBBEN-MVBLRNEESA-N 481.594 0.323 30 20 JCED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21)c1ccccc1 1788709615 ZIOBSMBXTOUAOS-TUFLPTIASA-N 469.538 0.706 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)C[C@@H]21 1790792941 FQJAAFWTGBIWIF-FHWLQOOXSA-N 467.563 0.547 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790862182 XDXTXUSSTBLQQY-TXTZMMAHSA-N 462.547 0.019 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]3C2)c1Cl 1790911367 OTBZJIKXCMIFDL-WDSOQIARSA-N 464.950 0.092 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)C[C@@H]21 1791072379 GYJSXPSIHQTEBZ-MVJTYMMSSA-N 459.524 0.164 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792136755 KJKHTSYKBFGTHR-QAETUUGQSA-N 450.536 0.546 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)[C@H]2C1 1792187374 KHWFQASRMSWJFD-FWNUTNIYSA-N 473.545 0.891 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794405021 ODOMIJKGEWULTB-GGXPGOJBSA-N 466.560 0.630 30 20 JCED Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)cnc2s1 1795598566 XCJRQIDMERATRJ-SCAQPMJSSA-N 472.571 0.550 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796299052 OGZKOEAFYHSORZ-ZMMAXQRCSA-N 455.552 0.444 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1797119425 BTLFMPHSZPWZGT-XHYRXIGBSA-N 495.617 0.767 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1797310361 ZBIIFHNOLQBVKW-RXNNHNSHSA-N 493.601 0.622 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)NC(=O)NCC)c(O)n1 1797695130 XJDSJCOGSFXQBR-OAFZBRQQSA-N 459.547 0.817 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COCCO)N(C(=O)OC(C)(C)C)C1 1799340953 JHOQCWMZFXCNBS-ZMMAXQRCSA-N 453.536 0.151 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C 1800823769 GXBGYWLJIQIFRW-BCKAASPTSA-N 457.593 0.655 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1800945047 PSTSTDRCNIQDIR-AJYBTWMASA-N 497.614 0.317 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2)NC(=O)OC(C)(C)C 1801929788 GRXQIALOJBVYSY-AXVVYFOYSA-N 481.594 0.707 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1802188796 UPDCPYCIPXSOGF-OPMZPASUSA-N 476.574 0.459 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@H](CNC(=O)CC#N)[C@@H]3c3cccnc3)csc2n(C)c1=O 1806284409 REBUTCQTNHHBCH-QRWLVFNGSA-N 480.550 0.856 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808273909 OQVIONQFGHNKBA-JIWZOFCXSA-N 472.590 0.843 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)cc1 1810348140 IRWBUPSPOJEQIJ-PFATUAPWSA-N 463.538 0.852 30 20 JCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[C@@H]2c2cccnc2)CC1 1812443441 OAPZBUVUIYAWIZ-GNBUJSLZSA-N 496.593 0.571 30 20 JCED Cc1cn(CC(=O)N[C@@H]2CCc3nc(NC(=O)C(C)(C)NCCC#N)sc3C2)c(=O)nc1O 1814985818 QSCNAJNJBOELES-CYBMUJFWSA-N 473.559 0.608 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2 1820020546 SVDILCJSAAFEPW-UONOGXRCSA-N 484.586 0.945 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNC(N)=O)[nH]n1 1823515876 DPRVUHMBPDPGEM-HIFRSBDPSA-N 461.523 0.987 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1 1824926471 UVHLAXPFSLNPPT-LPDHVVABSA-N 452.558 0.491 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)CCN2C(=O)OCc1ccccc1 1829055439 LLBHYPBXEBDNHF-UXSWERMXSA-N 497.577 0.874 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1nc(N)n[nH]1)CCN2C(=O)OCc1ccccc1 1829122284 BZWRHWPZBWQWQE-HSZRJFAPSA-N 480.529 0.685 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 1829342624 MDSHIEWHUJDTQI-HRAATJIYSA-N 483.612 0.801 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1829692889 ZXAJDJNYPOZXDX-GLYQVZKVSA-N 494.589 0.755 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccoc4C3)C2)C1 1829762289 CJHQRFFGJIHINL-FVGIDDJYSA-N 457.527 0.699 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CC1 1830467364 ZDOLXCYEMMSYND-VWLOTQADSA-N 489.016 0.785 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1830568922 OJNLHXOXMQDQRU-FDDCHVKYSA-N 485.578 0.311 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1831427266 RCEVMRSQDJLQQL-UPCLLVRISA-N 496.524 0.232 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)C(C)C)C2)C1 1831997948 AHDKZBYYISSHAD-IXFSTUDKSA-N 469.579 0.929 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832353918 MNWLGJGESSMHED-IMWIBFENSA-N 463.575 0.825 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1832461133 QBVRLOLLXBIKNA-JTSKRJEESA-N 462.572 0.576 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)c1 1833397484 JVAFBJWRBQTDRG-XMMPIXPASA-N 498.561 0.669 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1833465950 YRISYGRZMAHXQD-GOSISDBHSA-N 468.620 0.022 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)ccc1F 1833475209 KTIBRMAJGZLENG-QHCPKHFHSA-N 470.457 0.409 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)nc1 1833645755 MCWZIAZKGIUABU-HSZRJFAPSA-N 458.563 0.499 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c(O)n1 1833696275 YQQRTVSATSNFJI-BXKMTCNYSA-N 472.542 0.502 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835358668 HTGKJSTUMGJEDI-UZUQRXQVSA-N 496.561 0.593 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccn1 1835676823 BQSQETMAJANPCE-QHCPKHFHSA-N 472.546 0.392 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1835681386 XZCHMZUYKFRBTC-QHCPKHFHSA-N 469.546 0.010 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1835767214 IZNBDOJCMGCORX-ZHNJOBQTSA-N 475.546 0.800 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cc(C)cnc34)CCO2)C1 1836947232 HLTVQBZHZDGMSB-WZONZLPQSA-N 457.531 0.681 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837297649 XKFMZAFKJZXHSU-XZOYJPPVSA-N 473.526 0.751 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837319453 UACZZDBUVZBJPJ-GUYCJALGSA-N 453.414 0.349 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2)C1 1837499990 VCKOSUGXHGYQKU-QTEQDKRBSA-N 466.531 0.706 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837524238 CXPQOQNJMAYNFR-UYAPEEHZSA-N 489.529 0.639 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1837524653 DVMQXWFJRSFJQE-KDGIGMFRSA-N 450.467 0.820 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)ccc1F 1837797389 JTYAPEKMFGPALO-NRFANRHFSA-N 472.433 0.641 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1839185146 PBVGYJQINXLRLW-KSFYIVLOSA-N 499.634 0.929 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839570610 WGBHLWTTZYVSNZ-HLJFKENESA-N 471.514 0.933 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(S(=O)(=O)CC)ccc3OCC3CC3)C2)C1 1839809236 IWIXSUDGOYZOMA-XMMPIXPASA-N 490.578 0.972 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1)C(F)(F)F 1839892002 MPPWBEWNVPLMTA-XCLFUZPHSA-N 486.447 0.568 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)C[C@H]2C1 1840003114 WOTJUDQVNXORNC-VWMXVWASSA-N 491.541 0.178 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)CCO2 1840038194 MNBQLMZUVJOETF-UVELEOGVSA-N 463.531 0.100 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CN)C2)C1)C(C)(C)S 1840111030 RACYTRLQMFJDNU-QRWLVFNGSA-N 460.597 0.003 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CCO3)C1 1840218447 GVJBYUSUVJLQNC-DNQXCXABSA-N 479.574 0.781 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251455 FNSUUUGPUPSPDO-FDDCHVKYSA-N 480.562 0.145 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1cscn1)NC(=O)OC(C)(C)C)CCO2 1840344637 LSZLFQQJOUIPAT-VGSWGCGISA-N 478.571 0.669 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1cncn1 1840420593 ONOOVMZFQMEAGN-OYHNWAKOSA-N 464.486 0.357 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840647672 OJNVQZOJPPGUEB-QHCPKHFHSA-N 459.499 0.365 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840811647 RJPYLRWQQPSKIK-JOCHJYFZSA-N 461.540 0.854 30 20 JCED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c2c1CCC2 1840819304 BVLNVKQSYZJRTO-VWLOTQADSA-N 479.537 0.929 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1840820557 WLJYEDQYBZWLPF-DEOSSOPVSA-N 481.509 0.522 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840856886 CWZPHFSXCVNURT-REWPJTCUSA-N 460.506 0.633 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CC)C2)C1 1840907477 WPGNNLOXGJWUBR-HOYKHHGWSA-N 489.573 0.890 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[S@@](=O)CC)C2)C1 1840908686 GHTBOLHZFPVDPG-SHVMMJTCSA-N 499.630 0.518 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3C[C@H]3N1C(=O)OC(C)(C)C)CCO2 1840912918 NDUMCWJFQAKLRU-KQHKVODXSA-N 491.585 0.879 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1841053864 IMMWTLOCRNMZMJ-HJWRWDBZSA-N 466.542 0.083 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)C1 1843821443 SZRQUDOTLRISMS-OPDSQHBBSA-N 476.574 0.666 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)CN)C2 1844215598 XUIJOKYLMGDNOR-HZPDHXFCSA-N 467.567 0.590 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1 116280973 ILNJAETXKPLLFA-UHFFFAOYSA-N 455.540 0.462 30 20 JCED CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1cccc(C#N)c1 515586061 GQVMQUXSXAUWSZ-UHFFFAOYSA-N 478.552 0.838 30 20 JCED Cn1c(=O)c2ccc(C(=O)[C@H](C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)nc2n(C)c1=O 521013805 ANQJZZWJECUQHY-KRWDZBQOSA-N 486.492 0.540 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2csc(CC)n2)c1=O 523464654 XZFHVQMYBATVEO-UHFFFAOYSA-N 475.640 0.632 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1CC(=O)N(C)C 604269857 GMUBWDPJNKJWEC-UHFFFAOYSA-N 494.520 0.637 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)C[C@H](C)O1 608925162 UOCZZENQDRCDPM-HOTGVXAUSA-N 473.559 0.438 30 20 JCED CN(CCc1ccccn1)C(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 608990979 BPNPQOKESLMNHT-UHFFFAOYSA-N 470.555 0.670 30 20 JCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccnc(C)n2)C1=O 726404463 YIHGMSXGYDKFIW-LTUQMTLXSA-N 462.557 0.569 30 20 JCED COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 726727752 WNEUNZPMPBORDJ-UBJVEFMGSA-N 465.532 0.785 30 20 JCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(I)cc2)CC1 728572870 OIOSGMPERYMJTC-AWEZNQCLSA-N 454.312 0.985 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCS(C)(=O)=O 729674418 GWQKAJKEOXYPJF-UHFFFAOYSA-N 478.552 0.138 30 20 JCED C#Cc1cccc(NC(=O)CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)c1 918342173 CNNZPXMCPQJMMS-LJQANCHMSA-N 471.535 0.965 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCCC1 1288864811 ZBPPICXGOLONSR-AEFFLSMTSA-N 450.613 0.551 30 20 JCED COc1ccccc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1300590225 YWXHTQCIPKZADL-IEBWSBKVSA-N 476.559 0.591 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1314642512 OSMQWPOAYVUIDF-IBGZPJMESA-N 453.547 0.975 30 20 JCED N#Cc1ccc(N2C[C@@H](C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1Cl 1441427045 SHUICEWWSSTAIK-UONOGXRCSA-N 452.920 0.374 30 20 JCED CCCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1501207462 IKBRFQPZADQMJL-SFHVURJKSA-N 471.587 0.905 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(C)COC1 1510210470 KSGZWYNSFFIFCE-OAHLLOKOSA-N 460.564 0.518 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1547782394 VYDFTPIKPDXISN-WIYYLYMNSA-N 459.576 0.401 30 20 JCED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1620167354 ZCKOBFITWTXAOU-WBVHZDCISA-N 460.516 0.708 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CCN1S(C)(=O)=O 1620314410 YJUIWRCKPBOQES-KKSFZXQISA-N 459.576 0.353 30 20 JCED CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)c1=O 1695795590 UKKFKWZDUAEOJY-LJQANCHMSA-N 489.602 0.971 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)c(C)n2n1 1777783242 YOENKEMAAUKPEE-ICILYHDOSA-N 471.518 0.714 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1778136389 MDYOZRCUAQFWKW-OHUGHZGNSA-N 499.520 0.066 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1778957962 NLNPFRAWKRMXFP-RCDICMHDSA-N 453.503 0.586 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC3(O)CCCCC3)C2)c(=O)nc1O 1779401363 NMYNEZWSMHQEOH-NTKDMRAZSA-N 486.569 0.470 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1779937384 MUXYJNPKDYYIHB-NTQKPYKESA-N 454.487 0.415 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1780102264 BGMNWTDVCNOAAN-LSRZYVKLSA-N 483.525 0.844 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2ccnn2)C3)c(C#N)c1 1780686606 LQJNMPVCIRZPED-NFBKMPQASA-N 452.515 0.915 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H]1CCCS1(=O)=O 1781655289 YLIHFHFHGOAHOJ-BIMRZBSOSA-N 471.576 0.607 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783246338 NIDSZRRLZNSQSL-QVKFZJNVSA-N 481.644 0.642 30 20 JCED O=C(C[C@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1785149843 RGBWOQFOHAGFIT-OWLYRPNTSA-N 458.902 0.269 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1785517656 VGVNILHMXBUNSI-WZONZLPQSA-N 463.531 0.686 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)CC2)CC1 1788224019 KJRFAHMBNUKQPN-BVSLBCMMSA-N 459.591 0.603 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4nc(N)n[nH]4)[C@H]3C2)c(O)n1 1788503153 ONUORRVGUXKOKZ-WBAXXEDZSA-N 469.546 0.832 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1789839357 SMOJAHVCHPTVPA-BMFAXAFESA-N 489.573 0.539 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1790788886 JJGWZKPFTKQNOH-QZKNCCJGSA-N 455.577 0.261 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)c(OCc4ccccc4)c[nH]3)C[C@@H]21 1791073982 JOOPEGUZBYVSCF-WFXMLNOXSA-N 479.489 0.635 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CSc5nc[nH]n5)[C@H]4C3)c2c1 1791558650 BCXQECDHYGJRFI-QRTARXTBSA-N 466.527 0.938 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1793082222 MKXPOKLMZAZGKV-OYSTVDSJSA-N 465.547 0.250 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1793593620 SLYRSIAVWLMDCP-DLRJPAPCSA-N 490.557 0.361 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1noc(C)n1 1794056120 OSHZOEDRXDRCDP-YYAJDYIMSA-N 463.535 0.980 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795277883 SUNNVABRDBXWFH-IIZPIQPGSA-N 471.554 0.903 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O 1795777171 XEACBMIGQWEGFZ-ZDEZURTFSA-N 486.569 0.907 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795851999 ARSLPLGJRZNKDB-AJYBTWMASA-N 474.562 0.565 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1796392736 GQKIOBDQKGYLFA-CURDWCSZSA-N 478.546 0.828 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1797713961 DZXPXDJAPGCRCO-NHWFWODHSA-N 481.590 0.833 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1797786197 RCUXYVCHYYLKLO-CCWDJLKJSA-N 465.597 0.135 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1797812577 VYFMHJWDCUOJLD-XCCVUZOQSA-N 472.498 0.840 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798564941 AAZDGUBRZQPIHY-LJCCNALRSA-N 461.515 0.840 30 20 JCED CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1799640912 JKELWRGDPUVIFA-KSPBDQMDSA-N 488.440 0.400 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)C[C@@H]2C1 1800698502 PKQBGUQJOGNJMG-FVSFCRNKSA-N 461.515 0.311 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1802114207 JIRFKTBTBWIICY-MUARJFIDSA-N 455.559 0.866 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnc[nH]1)C2 1802125570 ZUVNPMCOLIKECT-WQDJSCAQSA-N 459.547 0.849 30 20 JCED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C1 1806057611 QHEOENMBBITFET-SFHVURJKSA-N 490.630 0.619 30 20 JCED N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1807115462 JHVZXQJLNGRHKH-SIKLNZKXSA-N 452.559 0.626 30 20 JCED O=C1NCCn2nc(C(=O)N3CCCC4(CCN(C(=O)/C=N/N5CCCCC5)CC4)C3)cc21 1808819613 YEDQKHBFAXDMSL-PCLIKHOPSA-N 455.563 0.943 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]1c1cccnc1 1812938611 FPWYFBRBJMYLFG-JCTONOIOSA-N 491.585 0.822 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1813175452 RNOXNOHQPXJHBN-CYFREDJKSA-N 464.522 0.711 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(N3CCCNC(=O)C3)n2)n[nH]1 1816251287 JEVKOMZANBCGHR-KRWDZBQOSA-N 479.497 0.525 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN(C)C(=O)C(=O)O)CC3)c1 1821389180 SYFMNIUUIXWWSM-ZDUSSCGKSA-N 471.495 0.792 30 20 JCED COCCOCCOCCOCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1823067651 WCFZWTIIZBLXCC-HNNXBMFYSA-N 483.543 0.229 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975541 YFCVKCCGBGNQCW-UXHICEINSA-N 469.648 0.910 30 20 JCED Cc1noc(N)c1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828981406 DMJQXIRIEOISJT-XMMPIXPASA-N 495.492 0.719 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829049592 HADGKYFPXJLCAF-WXVUKLJWSA-N 488.589 0.525 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)CCN2C(=O)OCc1ccccc1 1829100828 NOJVHMGYSSDBGH-GLDPYIMESA-N 469.494 0.297 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1829764651 RXKIEMFKVTTXTC-XLQQFJOYSA-N 480.525 0.196 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1829845667 FXGOFGMUVVASBD-QPPBQGQZSA-N 456.543 0.862 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CC)NC(C)=O)CCO2)C1 1830336901 IQUMRAMCCVFTQU-KHCICDEESA-N 494.589 0.274 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)c1 1830458864 KDUHXXWPIRIKKV-VWLOTQADSA-N 492.536 0.201 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)C(=O)c1ccccc1)CCO2 1831143886 PPMYLPVYHMUERP-JRUKXMRZSA-N 484.553 0.073 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831181451 JTVYOENNEYTDMH-DEEAVJJBSA-N 463.556 0.858 30 20 JCED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CC1 1831230556 ZGOVETARSKPUAC-OKZBNKHCSA-N 461.588 0.700 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1831401550 BPAHKLISWHMKBA-QZTZHPFYSA-N 493.557 0.407 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(NC(=O)OCc4ccccc4)CC3)C2)C1 1834760740 IZKYAZGOZYWVEI-JOCHJYFZSA-N 456.499 0.815 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1835046372 ICFGSWIBQOGBLY-SFHVURJKSA-N 465.595 0.993 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1835245424 SZGGMDRBHOPSBA-CYFREDJKSA-N 499.605 0.965 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1835682928 YMRMIJDODSLVDS-HSZRJFAPSA-N 472.521 0.825 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1)[C@H]1SC(=N)NC1=O 1835731380 GOKVQHLGEBXXOE-PUCKVZIYSA-N 491.662 0.832 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836633465 MBOLREMEFOUUOD-QGZVFWFLSA-N 453.536 0.212 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1836776494 JZWIUGYSJFWJRQ-HSZRJFAPSA-N 475.546 0.069 30 20 JCED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1836880736 HYKHRNKUSWPYMW-KRWDZBQOSA-N 463.564 0.379 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837200757 QJCXICUPRDSPSM-DEOSSOPVSA-N 476.493 0.979 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1837399334 QUXIEQWSZSMANR-SNYIIPAISA-N 473.526 0.751 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837444317 XZFRBUXJPOMNJR-JFLPDWHMSA-N 465.551 0.444 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1 1837531443 MXALEQFTELXDJK-JPHKLTHBSA-N 477.518 0.474 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nnc(-c4ccccc4)o3)CCO2)C1 1837534537 NLBLPKOPTWTGEH-SBUREZEXSA-N 454.483 0.845 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)nn1 1838345889 HBKVSFDMUHYGEK-QHCPKHFHSA-N 451.483 0.670 30 20 JCED CCOC(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1F 1838539051 CIGANXZKDUTNLR-QFIPXVFZSA-N 462.430 0.160 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc(C)n(C)n4)C3)C2)c1 1838579139 CQVJKKHCQIGKMI-DEOSSOPVSA-N 467.526 0.922 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)C2)c1 1838734831 MLRYGTPPUIYLNR-HSZRJFAPSA-N 452.467 0.928 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742328 CYYSRZIWKMKPCH-OSPHWJPCSA-N 465.510 0.775 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1839117074 XUMQELXKRSYALE-VRWDYKOXSA-N 460.575 0.320 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3ncccc13)CCO2 1839541118 NWHHJXLAADTGFB-VRWDYKOXSA-N 465.510 0.558 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)cc1 1839670226 WWSYEZLYBGLBDG-QFIPXVFZSA-N 453.455 0.203 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@]3(COCCN(C(=O)CCC#N)C3)C1)C2 1839738859 ISLHYXPJQAOCCI-SBUREZEXSA-N 473.530 0.382 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C(=O)OC)CC2)CCO3)c(O)n1 1839896071 BHIJVMVVLFHXCN-HSZRJFAPSA-N 473.526 0.929 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(-c4ccccc4)ns3)C2)C1 1840041772 HUSRLHQPGFFFNI-OAQYLSRUSA-N 456.480 0.363 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3c[nH]c4ccc(F)cc34)C2)C1 1840044423 XDSRXLPNIFLTGT-HSZRJFAPSA-N 457.458 0.784 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840088916 HAPOMBLKBPOCIB-FORKAKRTSA-N 481.594 0.828 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1840157198 HTHXCAZGMAYVHC-HRAATJIYSA-N 475.608 0.693 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1)c1ccc(O)cc1 1840220215 CIRBTJBJEMPVLO-UZINWLIJSA-N 483.565 0.872 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818615 LZFVSIMTSMXRPH-HSZRJFAPSA-N 467.482 0.506 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845067032 BQUIFSFNYPVWES-PCCBWWKXSA-N 497.596 0.920 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C1 1846304268 SIFPTFSSKCHSRW-HZPDHXFCSA-N 451.520 0.685 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1847073306 FYUBQJMRAJJHBB-INIZCTEOSA-N 473.530 0.377 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 15425399 VMTOJVDHTNSPLK-UHFFFAOYSA-N 462.553 0.923 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC2=C(C(=O)OCC)[C@@H](c3ccco3)NC(=O)N2)c1=O 27580968 PEINPBTWJYOOMO-MRXNPFEDSA-N 457.443 0.008 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(C)cc2)c1=O 501762387 NIPZKEMDDMEUPT-GOSISDBHSA-N 469.563 0.970 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1=O 522257107 CDRTWGAMTJRXGK-GOSISDBHSA-N 454.531 0.419 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 589756669 UAMZRPNVGLSYNH-UHFFFAOYSA-N 468.579 0.364 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)cc2)c1=O 603792787 LPTFDZJKXWJMGA-UHFFFAOYSA-N 458.971 0.701 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccc(OC)cc1 603794094 JRABSQRSMPIKJT-UHFFFAOYSA-N 464.547 0.822 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(=O)N(C)C 604269119 SWEJAHZLFVQLHP-UHFFFAOYSA-N 450.923 0.820 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c1=O 748043490 WIQNPUATFGDBSI-FUHWJXTLSA-N 486.594 0.224 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2COc3ccccc3O2)CC1 748517906 OQMTYGXEQFOHRP-LJQANCHMSA-N 471.491 0.774 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 749356609 SFXMZTOFIFSFQA-RELWKKBWSA-N 486.620 0.198 30 20 JCED CN(C)C(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918279751 GMXVBWDRAKYTEK-QJOMJCCJSA-N 451.549 0.813 30 20 JCED CC(C)CN1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C1 1287738374 NXKMXXNNXMZANP-BZSNNMDCSA-N 453.613 0.985 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1316360218 QZTMWLQARLSHGY-KRWDZBQOSA-N 466.589 0.769 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C1CC1)N(C)C 1611705778 YUVCJABZAVUNLA-QFBILLFUSA-N 487.634 0.822 30 20 JCED CN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C1CCCC1 1618277959 OFEVNBOSWVJEJY-ZWKOTPCHSA-N 467.596 0.214 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1690859037 JBSZRCPXFJTETI-LJQANCHMSA-N 487.586 0.821 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1697706546 PQYNDZGDRVVEMJ-UHFFFAOYSA-N 472.571 0.937 30 20 JCED CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)N1CCOCC1 1741941754 WISKKTRNKNKVEA-DFQSSKMNSA-N 494.666 0.422 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1748209912 TVTVVIRERNMPEN-SJLPKXTDSA-N 458.544 0.593 30 20 JCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNS(=O)(=O)c1ccccc1 1751930503 RSUTYPMCTJUNPO-MRXNPFEDSA-N 467.559 0.942 30 20 JCED CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1761256516 YADYDBJEVKFVKI-INIZCTEOSA-N 466.550 0.415 30 20 JCED CCN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)S(C)(=O)=O 1765217945 UAFOYNVUOXDOFA-SJLPKXTDSA-N 499.663 0.028 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778899296 MNWGKISJWIPPQT-JLTOFOAXSA-N 491.463 0.838 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779319252 OMRUNFLHOIOQTF-XLNZFTOWSA-N 496.605 0.827 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1cc(C)on1)C2 1779335903 LYIIBSUKCQUDAA-YZZKKUAISA-N 462.547 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(C)(C)n2nc(C)ccc2=O)C1 1779507369 IFGFUEVCMSUTTH-MWQAERQQSA-N 485.585 0.659 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c(C(F)(F)F)n1 1781043792 IERUBFYYNZNFEO-ZUEVXXBESA-N 453.421 0.138 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c(C#N)c1 1781175460 LUPNZNNJZJQTOS-OAQYLSRUSA-N 456.528 0.850 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]21C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782006433 PVABQSPPYWVYSY-GVAOLFSASA-N 475.542 0.988 30 20 JCED CS(=O)(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1782718022 DZERVSQRKWXVOM-XMSQKQJNSA-N 473.555 0.997 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1783862973 VJTAQLNVMRGTFA-NVJADDNWSA-N 470.592 0.542 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@H]4CCNC(=O)C4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089042 WXBQKKJBFGSLTQ-XFAGBWLFSA-N 476.574 0.908 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)cc1 1784122361 SEGLXNHYYKOEMY-ZULIPRJHSA-N 462.572 0.945 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)C1CC1 1784174189 HXLKADVXHAHVLN-XSLAGTTESA-N 463.531 0.748 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(=O)(=O)CC)[C@H]3C2)c(O)n1 1784446797 RWXHUBHAZJWOEU-SNRMKQJTSA-N 465.572 0.934 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1784520673 SPPNRFOKIVZZGB-CJCBUOBESA-N 451.520 0.971 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785329017 YGPKMYUDYCHBMF-JMVFIXPQSA-N 474.558 0.955 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785667503 ZMCMLOYWNQQLFK-HOYKHHGWSA-N 494.589 0.487 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1788658971 DTAPUECOJSEXPQ-NHVAJMQMSA-N 472.502 0.557 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1790877651 HCKDVHRMPPQFEF-HUBLWGQQSA-N 458.487 0.643 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)[C@H]2OCC[C@H]21 1791067133 FARDSTYFXJPZDM-GRSMTOHASA-N 491.541 0.079 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078374 XMAJFWNWBKBPLL-UQYYQHRBSA-N 489.569 0.994 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)C1 1792559034 KQNDBZMKPVJPAC-FPQOSCNCSA-N 498.580 0.918 30 20 JCED CC(C)(C)OC(=O)NCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)CCOCC1 1793203379 DRTGALPZNMPXJT-ALXJQNPVSA-N 450.536 0.811 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1c(=O)n(C)c2ccccc21 1797172085 ZFNMWFZQEFFNSD-PZTGFMGMSA-N 457.531 0.731 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1797786230 UEJDILQSOCWXOO-KGSLCBSSSA-N 471.510 0.575 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)cc1 1797837348 QLVRSGCFWIXTRJ-HYWLUUGDSA-N 473.551 0.934 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C3)c1 1798576540 HSDUGHUNOISRFZ-GSOSKNFBSA-N 471.539 0.573 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C2(CCOCC2)c2ccccc21 1799073284 ARCUNJNPDHNFQL-MTXNFPGFSA-N 495.576 0.709 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOCCOC 1799383115 PABCZOUVBBHPDZ-XAPVIXHLSA-N 486.606 0.235 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnc5ncccn35)C4)c2c1 1799882579 YCMBQCFMOPYGCX-CCWDJLKJSA-N 456.466 0.994 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2ccc(Br)cc2c1=O 1800151162 HCQKLRJNEJZEFJ-SLAYPKMVSA-N 488.294 0.582 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1802139721 MFIGWIPEHGDOAD-VYWQPJFJSA-N 489.529 0.560 30 20 JCED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1802187738 GUWWVNYGHMKKBB-UGNRZPKXSA-N 478.590 0.868 30 20 JCED COc1ccc(CC(=O)N2CCC3(CCCN(C(=O)c4cc(=O)n5[nH]nnc5n4)C3)CC2)c(C#N)c1 1810487587 GGPRUNKBLAMRTB-UHFFFAOYSA-N 490.524 0.780 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1812712629 PNFBOTNFAKIKFG-JYFHCDHNSA-N 479.581 0.878 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)CC1 1827988143 KKLVLYSJRGKFFQ-AWEZNQCLSA-N 491.570 0.696 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828513617 GKCYDJSIPOEKHG-FDDCHVKYSA-N 456.547 0.274 30 20 JCED Cn1ncnc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1828665600 SPGQNQNJQKMLSL-QFIPXVFZSA-N 451.487 0.794 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829120740 CDPFTTMCRACTIG-JOCHJYFZSA-N 452.471 0.228 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829121286 OHYRWXQIALLLAH-QHCPKHFHSA-N 466.498 0.618 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1829346454 VAHSVBFFMQTFQB-HRAATJIYSA-N 473.559 0.444 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC)c3C)C2)C1 1829773078 ALCXFKKSNCTJFQ-HMLKYZKVSA-N 457.527 0.932 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCO2 1831110626 KSHDQNRNUMAVDJ-BOCKYXSRSA-N 461.584 0.810 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccc([N+](=O)[O-])c1)CCO2 1832172525 NFPHDHVOXSRBOA-QZOBCFMQSA-N 486.525 0.842 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1832458284 JKHZMDVVGDHECM-VGSWGCGISA-N 487.619 0.638 30 20 JCED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cs1 1832971774 PBXRQQYIADKYSE-SVZRPLMQSA-N 466.560 0.979 30 20 JCED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1833079033 HHCKKVWHAOCEKW-UHFFFAOYSA-N 452.640 0.837 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1833238401 KETNJVCSLIPDMT-UHFFFAOYSA-N 455.950 0.950 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(C)c1C(F)(F)F)CCO2 1833324418 LIUWEQGKBGAMHB-BBIZLLLXSA-N 485.463 0.367 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833397283 YVEVBUILNLOJES-FQEVSTJZSA-N 450.517 0.105 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1833401589 ULZGZVWROHELQS-QFIPXVFZSA-N 463.556 0.749 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncnn2C)CCO3)c(C#N)c1 1833843895 GSCGJFZXIPRHSU-JOCHJYFZSA-N 454.487 0.008 30 20 JCED Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)COc4ccccc4C#N)CC3)CC2)n1 1834090398 IDNJMFVHMORJJD-UHFFFAOYSA-N 451.531 0.951 30 20 JCED CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1834721481 FZPHYTFLLYPYGY-QVKFZJNVSA-N 473.592 0.634 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1835120193 ZMSUTBDLXCUHJU-ONEGZZNKSA-N 484.578 0.984 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc4c(c3)OCO4)CCO2)C1 1835177571 DEYBXKZYESLPEH-UUOWRZLLSA-N 458.511 0.843 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCO2)c1ccc(O)cc1 1835397568 RRNYMNDXEVQASP-GJZUVCINSA-N 485.581 0.678 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2)c1ccc(O)cc1 1835413988 PEDXQTUXPVIMOX-HFZDXXHNSA-N 483.565 0.968 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1835675313 NEJTYMOHXWNNMH-LHXJMTLCSA-N 475.502 0.939 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1835767763 QDLZBUDRJMSKRX-HHEUTOACSA-N 465.595 0.419 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1835794935 BIAXCLSCQVIUFF-ROUUACIJSA-N 470.574 0.205 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1836215566 DDXUYEDRXVWUPX-AXHZCLLHSA-N 479.574 0.617 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837169421 OERMCRFSVNJOHO-AYCRRAHRSA-N 472.502 0.328 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1837404823 CJWOGODNWBZPJW-CVDCTZTESA-N 498.573 0.872 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488379 CAHDBBJFJBALRR-HSZRJFAPSA-N 458.515 0.254 30 20 JCED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c2c1CCC2 1837528760 OOPHGHCRNJONNX-XTXAWSSWSA-N 475.546 0.508 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Cn2cncn2)CCO3)c1 1837646100 NTJDIJSYUMETHU-GAJHUEQPSA-N 468.514 0.565 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837968497 AYZYUJXXOFSEHU-XZCAYTCKSA-N 451.476 0.371 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1838409055 MWICVGGKUOIYGZ-AFUMVMLFSA-N 468.514 0.900 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccccc2C(=O)OCCO)CCO3)c1 1838569325 YKRACBHRZYHSHI-XMMPIXPASA-N 482.493 0.419 30 20 JCED CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)C1 1839068863 LQVMDOMAIUIPTI-HYBUGGRVSA-N 456.543 0.735 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)c(C#N)c1 1839132943 UOEDQYQJMGRBNK-QFIPXVFZSA-N 455.471 0.308 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(OC)OC)C2)C1 1839184960 IVHILUQRNYKMKO-HXOBKFHXSA-N 485.578 0.921 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452734 SQXWECTVRDPYEC-XMSQKQJNSA-N 460.487 0.001 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c(O)n1 1839662960 QAFDGAMHCMMLAJ-XMMPIXPASA-N 483.525 0.233 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1839664040 XUJBSZVQNBRTFQ-QHCPKHFHSA-N 474.634 0.751 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839736315 IFAVNMRUSFGXCL-GBXCKJPGSA-N 457.527 0.989 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1839888641 YZANQFHINHLMSL-IBGZPJMESA-N 473.498 0.767 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(C#N)c5)C4)C3)(C1)C2 1840006273 XBYMADCBHBQVLI-VHYCJAOWSA-N 453.495 0.972 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OCc1ccccc1)CCO2 1840019659 VNNNTHRLZGWWCH-OHUGHZGNSA-N 487.553 0.796 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1840164986 UNRMZYXFJKWXHL-GIFQPEHOSA-N 499.630 0.786 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840167662 FJKPPIMGETXPMU-JOCHJYFZSA-N 463.556 0.500 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1840480063 MNNBDCGCFXRTTC-DRMXPCRNSA-N 482.541 0.593 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1840819892 MJEMEVCJQHGWBR-XMMPIXPASA-N 476.493 0.750 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1 1840906928 LVTSZAJALPMLJK-FDDCHVKYSA-N 473.530 0.463 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1840908385 ANBQHZNYYXTKKO-NTKDMRAZSA-N 489.573 0.565 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(C)(C)O 1840916457 JKNAECRQMBZKNJ-NTKDMRAZSA-N 479.574 0.520 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C)CC2)C1 1843916081 IFSBJQQEFQTJJM-HOYKHHGWSA-N 461.607 0.907 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)cn1 1844300761 ZYKSMNCGZZEBGX-AOOMUMSASA-N 464.544 0.972 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1845188004 UDJKVAFZVBXCIK-MRXNPFEDSA-N 452.552 0.941 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165144 WVRCMZVVRQXAKY-ULQDDVLXSA-N 460.491 0.910 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10045028 WNQZIZQARWLMAU-UHFFFAOYSA-N 455.397 0.915 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1C1CC1 514915340 VOCSDKQVSKEFES-UHFFFAOYSA-N 476.961 0.989 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C1CCN(C)CC1 516371498 VUXDXJTZCKBLJF-UHFFFAOYSA-N 466.563 0.753 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccn1 523858737 ZPKJSDTXLPVBQQ-UHFFFAOYSA-N 463.563 0.988 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc3ncccc3c2)c1=O 603796782 OYJFOHMGUHZLAN-UHFFFAOYSA-N 477.590 0.819 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)ccc1F 609220870 MLTIDXPTEIVFAH-UHFFFAOYSA-N 478.571 0.032 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 729281721 NDEVUOHCCNNRBV-YBFXNURJSA-N 472.611 0.983 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)c(Cl)c1 729671836 VTBNSRVNODBIFA-UHFFFAOYSA-N 481.983 0.398 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OC(F)F)c2)c1=O 747081269 YWHNLKNMHMOAOY-CYBMUJFWSA-N 467.494 0.812 30 20 JCED CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 769643187 ZGSGMZFOCNBWSP-UHFFFAOYSA-N 480.524 0.269 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(C(N)=O)CCOCC2)c1 918436550 JHMRUCKWASQOSU-NLRVBDNBSA-N 493.586 0.616 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)c1 927573272 OJGOTMRRAWNQMC-NVXWUHKLSA-N 470.569 0.569 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)Cc1ccccc1 1286969945 STKHTCUOKPWIFR-HKUYNNGSSA-N 489.602 0.865 30 20 JCED CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1301643987 INKHNAGCODWPAR-UHFFFAOYSA-N 475.575 0.725 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3c(F)cccc3c2=O)CC1 1459268829 XNJJAJVPECKSSR-UHFFFAOYSA-N 455.471 0.940 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)(F)F)C1 1519548740 QEXSDDFLNHXBHZ-ZDUSSCGKSA-N 479.485 0.029 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1593884731 JUWJCMQQMSSCRP-IHRRRGAJSA-N 470.017 0.621 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCC1 1723780097 PLBVUTXQYZPAJT-SJORKVTESA-N 467.596 0.752 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc(Br)cn1 1741943938 JJVAASHNOZBYAQ-DGCLKSJQSA-N 473.357 0.276 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 1767713144 PFJSQKYXGYBRCT-LEWJYISDSA-N 494.600 0.711 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1767838397 LLOHNZKMNIQGLY-JOCHJYFZSA-N 455.519 0.996 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ccc(C(F)(F)F)cn3n2)C1 1777736071 SQJQMDNVBCGUKL-JLTOFOAXSA-N 479.415 0.964 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1778968663 VOJMVOCZMCIRNV-GCJKJVERSA-N 465.572 0.643 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)CCO3)c1 1780332390 WAXSFNSYMWMIJP-FPTDNZKUSA-N 452.471 0.336 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCO)C1 1780769905 RSGSKFAMMKRYLH-YZZKKUAISA-N 467.563 0.426 30 20 JCED Cn1nncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781167277 NGHLMMDPDAWAOF-QHCPKHFHSA-N 487.561 0.799 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783932896 JQAHYVOUCIDEFI-KEVBDDOHSA-N 495.573 0.902 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CCNC(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089107 ZHZXRWQEEOJIHB-MBSDFSHPSA-N 464.563 0.908 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OCC)C[C@@H]21 1784785648 MFSFRJMDAUCRQA-WSRJKRBPSA-N 498.577 0.500 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1785631467 DWDFHVVZJJIIFV-BTYIYWSLSA-N 453.540 0.344 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785631706 YQMITEBHXVCLDG-JPYJTQIMSA-N 473.530 0.356 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)cc1 1786857286 FRFMDRFBVQGZJO-ZIBCJSCZSA-N 458.559 0.990 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)C[C@@H]32)c(C(F)(F)F)n1 1787198324 VJHWLWMLSAKPRY-VCQFHVMDSA-N 467.448 0.288 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1792255407 LYPGESPEEGUUNY-QAETUUGQSA-N 450.536 0.019 30 20 JCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)cn2[nH]cnc(=O)c12 1792559238 RKIGHLNVWSMNEN-RMFSNUHRSA-N 460.494 0.649 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(O)O)c1ccc(C#N)cc1 1792793318 YLWGJXCTLRGEOC-DMUMMCEESA-N 488.541 0.414 30 20 JCED Cc1nc2ncccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1797006061 YGCHCIQKDOYKOT-YYHSUQQBSA-N 456.503 0.770 30 20 JCED COc1cc(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(C#N)c[nH]3)CC2)ncn1 1798691452 PGWGZTNQDOUELS-OPMZPASUSA-N 479.541 0.805 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C)C1)C2 1799324345 HMMWQLVVBJUTMD-RDGPPVDQSA-N 450.580 0.997 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CS(C)(=O)=O)C3)N(C(=O)OC(C)(C)C)C1 1801101934 MSTSQWMYHIEUAK-ZSXDVEMLSA-N 499.630 0.822 30 20 JCED COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1801205242 RXYMOWSNWTYYEQ-ALXJQNPVSA-N 493.561 0.473 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1802125241 CNASELKQDZNFCY-AJYBTWMASA-N 482.541 0.849 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1noc(C)n1)C2 1802125416 VGYZDQWJTSVXJJ-YYAJDYIMSA-N 461.519 0.427 30 20 JCED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)cc1 1802580935 PJTWRBQDKAJPGQ-GCJKJVERSA-N 483.492 0.642 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810225215 UQRVXOAQBUJJAB-FUHIMQAGSA-N 482.541 0.880 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)cc1 1811887675 PKYLXNRTPQEGRL-ICSRJNTNSA-N 457.427 0.998 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)C[C@H]1CO2 1812877968 QZULHSNIWDNCOE-AQSFXEJRSA-N 498.536 0.954 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3cccn4c(O)nnc34)sc2C1 1816962993 WEKOXYWZFRSVGW-KRZKBDHCSA-N 467.511 0.976 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)[C@@H](O)C1 1822202694 ZRJVYKCIEWGCQK-BPUTZDHNSA-N 475.502 0.718 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1)n1cnnn1 1828927608 XVOPJSCHYNSULU-WZONZLPQSA-N 480.529 0.990 30 20 JCED COC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330266 FARFQPJTYNAWOV-MHECFPHRSA-N 471.510 0.809 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(c3cccc(OC)c3)C1)CCO2 1829639719 LWURHBXTTAXZBR-KBMIEXCESA-N 469.538 0.918 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1829770353 KWUNCVCPPXYYKO-UZQCKINESA-N 471.489 0.402 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1829771084 DIROTTNPWQAWEQ-DYRFGFBLSA-N 476.461 0.662 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NNc1ccccc1)CCO2 1829801646 FYGHCFCNPDGTBJ-KXSQZTRYSA-N 471.558 0.306 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)O2)C1 1829848103 YUFBKKBYAJSJOY-UZUQRXQVSA-N 478.546 0.525 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1831209669 SDIORFJWVJBXLD-HSZRJFAPSA-N 453.474 0.890 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1832458291 KQJGWRDMVQHLRA-IUKKYPGJSA-N 499.630 0.590 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832818386 VOLJPMWEJFUGCK-QHCPKHFHSA-N 453.499 0.749 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)CCO3)cc1 1833028062 JHEOMWXQIXPRGF-AVRWGWEMSA-N 493.520 0.635 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833272322 JHHAPRQMPJGJCC-FQEVSTJZSA-N 488.589 0.957 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nc1 1833647891 RJVCBWYYSLJIJK-VWLOTQADSA-N 470.570 0.916 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c(C#N)c1 1833765993 LSDLTRFKJXQNGJ-OAQYLSRUSA-N 496.568 0.279 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C2)C1 1834756347 USECLHFYAGEMMZ-HSZRJFAPSA-N 469.473 0.414 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C3)C2)CC1 1835345136 FFEQVIJLXLUXRC-JOCHJYFZSA-N 468.470 0.052 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674678 DQJMKXJRFQKEKC-KOSHJBKYSA-N 493.605 0.734 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cc2NC1=O 1835677398 HPEXYHJUHLDKIQ-CRICUBBOSA-N 499.568 0.758 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1837307621 FGRCFDVVXCXSLL-MHECFPHRSA-N 467.526 0.928 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1837525379 VLUJCHOYLUFERO-FYPJQRNGSA-N 460.531 1.000 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837564536 WNLJTMXECAFIHD-HPARJBSBSA-N 452.471 0.511 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)CCO2)C1 1839036076 PRTWVDKULOLXQJ-GGUMNFRJSA-N 477.533 0.992 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)Cc5cnccn5)C4)C3)c2c1 1839485951 DXDBVYPIRBNCGG-QHCPKHFHSA-N 461.482 0.537 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1839784779 VMDCWPCULVUTIE-KNQAVFIVSA-N 461.540 0.514 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840158413 LLDQYHBLLXSKNY-MRUHUIDDSA-N 473.592 0.397 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1840294558 LCGRJWHLUQJUTQ-PGRDOPGGSA-N 453.536 0.480 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)n1cncn1 1840418000 MANOWOYMRUKWNM-MZSRDANUSA-N 459.528 0.796 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840907119 PKRYNRGVZTZNFK-HJPURHCSSA-N 489.529 0.169 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1840907134 PLCXUYHPHJLDKW-YADARESESA-N 489.573 0.715 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1 1840908241 FKLUPIPAKPUTON-IXFSTUDKSA-N 499.630 0.473 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1 1840912486 JWPAMXOXHAOAOE-GAZXMLTASA-N 489.573 0.960 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)OC)C2)C1 1840913661 KHESQHLVIBTMSV-IEGYKGNPSA-N 467.563 0.947 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C1)C2 1840916314 WUQXFKLNVLHYFV-LZDTVADOSA-N 491.541 0.319 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C1 1847099167 OIDXEYYDSBCXKM-IRXDYDNUSA-N 479.578 0.570 30 20 JCED Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)nc21 109412647 IFTBTLWYMONRDD-UHFFFAOYSA-N 464.442 0.351 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)cc1 481774097 INOUDSFQIDXZNT-UHFFFAOYSA-N 467.525 0.855 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCSC)C(=O)Nc2ccc3oc(O)nc3c2)C1=O 517848085 IFKRGIDYHCFJML-GFCCVEGCSA-N 475.483 0.687 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)cc2F)c1=O 523743201 BZQZCDBUJNMFAB-CYBMUJFWSA-N 451.495 0.879 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1CC(N)=O 589158902 BJAFLXVTAOIPAJ-SNVBAGLBSA-N 494.367 0.990 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCc1cccnc1 727814412 SKOPQMPHXKWYNU-UHFFFAOYSA-N 469.592 0.968 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN(C)S(=O)(=O)N(C)C 731142592 RCERBEQAMNVOEI-HNNXBMFYSA-N 460.578 0.421 30 20 JCED CN(C)C(=O)CN1C(=O)C(=NNc2ccc(S(N)(=O)=O)cn2)c2cc(Br)ccc21 750937334 JSJADHRBHYJNRH-UHFFFAOYSA-N 481.332 0.743 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1F 838666213 XMWIBUSOZUDPGJ-UHFFFAOYSA-N 455.515 0.817 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2cccc(OC)c2)CC1 839301158 CFIYHTOJCDNPMV-UHFFFAOYSA-N 478.578 0.308 30 20 JCED CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 916705813 XJUFXCLMGBHCIS-QQTULTPQSA-N 478.619 0.582 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1 916774630 XPNZOWPEZYRTBB-UHFFFAOYSA-N 450.498 0.642 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 919020251 HFHRKYVVLHLSQE-UHFFFAOYSA-N 461.540 0.616 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)C1 1301688331 UZSODPHJHARMII-RBUKOAKNSA-N 493.634 1.000 30 20 JCED Cc1csc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)n1 1492648884 KWWKCHBHQCIRTK-HIFRSBDPSA-N 450.594 0.878 30 20 JCED CCN1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1 1502270768 SQHKSXMUMNSDJB-MJGOQNOKSA-N 487.634 0.823 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C 1504911476 UXSHJDLWNQGLAD-VGSWGCGISA-N 474.587 0.523 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541138412 WPIPJLSEUOCZAD-RDJZCZTQSA-N 463.608 0.519 30 20 JCED C[C@H](CC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1545028607 JKDTYQZHBMCAMB-OLZOCXBDSA-N 451.530 0.699 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)cc1OC 1554873751 ZWUTUHRRDILJFR-INIZCTEOSA-N 462.532 0.727 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617349990 YHMNPZYXXIGUTQ-GOSISDBHSA-N 461.596 0.527 30 20 JCED CS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1620164590 OPZQPUOLYAKICC-HNNXBMFYSA-N 452.924 0.635 30 20 JCED CC(=O)N1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1690801225 SNABFJGKHZKFMY-FXAWDEMLSA-N 483.570 0.311 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1706823016 YJZJHQDUTPSUNT-KRWDZBQOSA-N 461.592 0.770 30 20 JCED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1=O 1712468981 KLHUGWMPMLMBKG-GOSISDBHSA-N 487.586 0.393 30 20 JCED CCN1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1728573755 XQIWUQPCNDYFFR-ZWKOTPCHSA-N 451.597 0.693 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(N2CCOCC2)CC1 1761478602 NHGVFZJIQYQUIW-INIZCTEOSA-N 451.597 0.883 30 20 JCED CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1764755105 MBECPAPFEMEONI-GOSISDBHSA-N 458.544 0.689 30 20 JCED CCN(CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1766684070 INJBKYTWJVPETI-IRXDYDNUSA-N 455.585 0.072 30 20 JCED COC1CCC(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1769025121 YCIZADQSCVRPNQ-BTRQGYIVSA-N 482.607 0.935 30 20 JCED CS(=O)(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771351848 KQBJIGZYYWHTMJ-UHFFFAOYSA-N 472.575 0.542 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)C1 1778915256 YJNKOWZBNVMGLR-UZUQRXQVSA-N 472.546 0.790 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)N2CCOCC2)C3)c1 1781103711 KTRFCJDWPPEYOR-KJXAQDMKSA-N 460.506 0.475 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1781289808 BRBJHKZGYDQYKJ-DGGJZMOXSA-N 481.594 0.269 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781350120 WKPRNMHMXKBHCI-HYFFOGBASA-N 455.552 0.683 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781865167 XIWCEGYZAFWYAM-SCFJIEIRSA-N 457.531 0.868 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782962075 UKMBTSKRKLDFBR-JLHGSKIFSA-N 485.603 0.863 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)CCO2 1783052017 YCCVHJCCRNKKMZ-ZHRRBRCNSA-N 464.519 0.255 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1783130754 GKYRVECNGWCPSZ-JTUHZDRVSA-N 469.498 0.049 30 20 JCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1783208695 GWNZSNKZRZJZHS-ORAYPTAESA-N 478.468 0.704 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)[C@H]2C1 1783471853 GSMHLZNBSMRBOB-VXEMUYFQSA-N 475.542 0.797 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558557 ZRLJAMYRSULAEA-HOYKHHGWSA-N 486.525 0.435 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4C[C@H](O)CN4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784092937 FWAWFTSMEPMFFB-DWKCODDLSA-N 464.563 0.105 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784094250 UWXRWVWQRFKIHL-AOMKIAJQSA-N 461.519 0.258 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369358 INGHYVSQXLHIAZ-QMHKHESXSA-N 478.546 0.967 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1785552899 NTWRJNBQBXQQPP-USIODYLJSA-N 454.527 0.493 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(O)nn4)[C@H]3C2)c(C#N)c1 1785844899 DPCHFGJTQRDLLF-QSFXBCCZSA-N 451.483 0.898 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccnn3)[C@H]2C1 1790644086 NNTVPKFBKKDPMH-BCYZHJNNSA-N 474.562 0.735 30 20 JCED Cc1cc(Br)cnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791073957 GHSRVFMJWOPEAQ-QEJZJMRPSA-N 450.289 0.834 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]4CCO[C@H]43)[C@H]2C1 1791123824 MOILLUZINFPKKH-NKGNIGRLSA-N 461.559 0.871 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)COc5cccnn5)[C@H]4C3)c2c1 1791603505 OYQOCZLXHNHQHS-IEZWGBDMSA-N 461.482 0.897 30 20 JCED CC(C)(C)OC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1792346280 JDFFSDPYECLYRQ-JYJNAYRXSA-N 451.520 0.605 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C\C(=O)NC2CC2)C3)c(O)n1 1794491056 QRQBULSUFFRKCG-OCVGUZQFSA-N 454.527 0.944 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCS(=O)(=O)c2ccccc2)c1 1795301138 UQDYIJFUEMCKMJ-UPHUGPLXSA-N 456.524 0.954 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)C1 1795408988 VGZUIFPUSBPCGX-RZFLPCETSA-N 462.547 0.498 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1795969372 ZTSBTAWYYQEZOJ-RMFSNUHRSA-N 466.542 0.735 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cscn2)c(C#N)c1 1796306986 SFEORHWCXZQFRI-AXRVMRSRSA-N 469.567 0.725 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)NCC(C)C)N(C(=O)OC(C)(C)C)C1 1796468162 QHPMXLCIIXNYIG-RDGPPVDQSA-N 478.590 0.914 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnn2n1 1798422933 FTQJRFQUKORMGY-YNVMFWSZSA-N 482.541 0.849 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1800955711 QJCOYPYWCAXZKZ-XKSKSLLTSA-N 463.531 0.860 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)C(C)(C)C)C2 1802124475 CBGSVDAAEPCVHK-FLXSYLCISA-N 451.564 0.900 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)C1 1804858203 VWSYXOKRKZDUKP-SREVYHEPSA-N 471.514 0.846 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC2(CCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)CC1 1808819024 IQUZTIVWIFOLPN-UHFFFAOYSA-N 455.563 0.753 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1810285701 GDSKHUKKHZPWEX-SBSGUARVSA-N 490.630 0.985 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1811500113 DAMCUJFLLCNWIJ-RVULTNGKSA-N 487.557 0.789 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812880066 WJRHDRJKRPINAH-WKRCXCSHSA-N 486.525 0.546 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)COc1ccc(O)nn1)CC2 1814984312 RIBGSZBCUWBTAR-GFCCVEGCSA-N 459.532 0.912 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN(CCO)CCO)CC3)ccc1F 1822966334 NQULFAWFRIOPTN-INIZCTEOSA-N 475.546 0.595 30 20 JCED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)sc2C1 1828393108 PLQCFDUQTZZIJU-CYBMUJFWSA-N 461.544 0.768 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCNC3=N)C2)C1 1828922940 GRWZVEDTKRXBPX-XMMPIXPASA-N 481.557 0.582 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1829266289 RREJTQCUJPVWND-RLWLMLJZSA-N 481.597 0.708 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)cnc2s1 1830056686 NIDQEYLWYWRJDB-OAQYLSRUSA-N 459.528 0.684 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831330201 UTEKNQMFQDJBNG-QFIPXVFZSA-N 463.556 0.382 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 1831402859 TYXIMGMHCQFQNE-OPAMFIHVSA-N 463.462 0.771 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OC)c(F)c1)CCO2 1833485855 XWFCEICXTVCASG-JOCHJYFZSA-N 465.478 0.809 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CS(C)(=O)=O)C3)C2)c(O)n1 1833699343 ZHJWRNCUKOCDRG-NRFANRHFSA-N 467.544 0.020 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncnn1C)CCO2)c1ccc(O)cc1 1833846643 RRADDLXKNHIKHL-NTKDMRAZSA-N 467.526 0.788 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834251770 XWCPIGAPXFXHKY-GAJHUEQPSA-N 475.546 0.407 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(Cl)c(Cl)c1)CCO2 1834959640 UHEDYEDNXZJNSA-HXUWFJFHSA-N 471.293 0.917 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680666 NMROYDRNTNVALM-QFIPXVFZSA-N 450.536 0.234 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CNc1ccccc1C)CCO2 1835860311 PMBPNDLUEWQIKA-HMLKYZKVSA-N 456.543 0.722 30 20 JCED O=C1COc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)cc2N1 1837490919 GAGVVCIZPQPAAL-SANMLTNESA-N 497.548 0.786 30 20 JCED Cc1nnsc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837528371 HZVFOUSAZQBTJK-YSWKSISOSA-N 453.521 0.446 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nc2ccccc21 1837563771 ZUMUEIINZPZZRB-NGCBVDFASA-N 493.520 0.716 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CSCSC1)CCO2 1837567729 VIIHNCHOEJHIBS-FPSSLUBQSA-N 484.644 0.344 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)C=C)CCO2)C1 1837704556 XJGMDYVGTPUIPX-XFAGBWLFSA-N 492.573 0.050 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837845504 AMDPZXZHEVSFNS-WWCXEQRYSA-N 450.467 0.820 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838404398 PYBHZNHAJBYFAK-HSZRJFAPSA-N 467.563 0.145 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1838908234 OVAPAXUDBLNBGY-QFIPXVFZSA-N 453.455 0.203 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)c1 1838908426 ZUZQFXRFFQRXQA-QHCPKHFHSA-N 451.483 0.921 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839073889 YEDCLTHWCJVAAC-KRYRLDPGSA-N 498.577 0.885 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1839175514 NSDSHUMGMIGVQZ-XLNZFTOWSA-N 477.558 0.353 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)ccc1F 1839187142 MHSIZSDVUSVDFC-QFIPXVFZSA-N 471.445 0.211 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1839387576 ODNIJRRIMJIGPR-VWKPWSFCSA-N 472.539 0.087 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839390166 WFBFFFDKUSJKFD-JXACUPQYSA-N 499.564 0.912 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1ccnc1 1839485936 DPCSWUMEUJILPF-HJPURHCSSA-N 463.498 0.962 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839678398 WIOLAYDWTXVPFJ-GTZKWBBTSA-N 451.612 0.892 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839693374 AAAILZZALNUTEP-VWLOTQADSA-N 486.569 0.349 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839693801 ZWYIJYIEADOPIY-HOYKHHGWSA-N 473.574 0.641 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(CC)c3I)C2)C1 1839807664 IZKKDBNCTXFADD-QGZVFWFLSA-N 472.283 0.280 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1839807676 FJCOCGJFTYWYQM-JJEOQYAHSA-N 465.547 0.084 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1)C(F)(F)F 1839893644 HJKIQKOHRXPWEF-IBGZPJMESA-N 488.488 0.466 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1)C(C)(C)S 1840110872 IMCBXBQIIBWIHB-YGKZAACZSA-N 498.646 0.573 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1840161154 GGUOLHNSNVCIOH-GREBRCKQSA-N 463.600 0.662 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1)c1ccc(O)cc1 1840219992 RKJFKDMIPCVCBI-MBSDFSHPSA-N 474.583 0.972 30 20 JCED NC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cc1 1840648067 UNJGAMDVRLFNNF-VWLOTQADSA-N 469.538 0.554 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC3(OC)CN(C(=O)OC(C)(C)C)C3)C2)C1 1840842614 QHVXNDNIWCPDDN-XMMPIXPASA-N 479.574 0.882 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)CCO2 1840845247 QHYRPZSKWUAKKE-MZLICYQSSA-N 486.525 0.128 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840902991 MZXHMTYATJVHEQ-MHECFPHRSA-N 454.527 0.955 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1840906741 IUVKNHCPRARKIT-KOSHJBKYSA-N 494.589 0.274 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3C)C2)C1 1840909079 MELYGXARNUSEBP-SBUREZEXSA-N 475.546 0.705 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)C1 1841368766 SMWKCSNXADYYFZ-LENZSSGSSA-N 474.583 0.724 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CN(C)C(=O)C(=O)O)C3)N(C(=O)OC(C)(C)C)C1 1846450109 YPKCMXRGFXZHSZ-HNNXBMFYSA-N 464.519 0.298 30 20 JCED CCn1nnc2c1[C@H](C(=O)N1CC[C@H]3[C@@H]1CCN3C(=O)C#CC(=O)O)CN(C(=O)OC(C)(C)C)C2 1848213112 CZLQSYAEJLRLRF-PVAVHDDUSA-N 486.529 0.422 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c1 105939435 BODOKZXPANFXFT-UHFFFAOYSA-N 482.628 0.865 30 20 JCED CS(=O)(=O)NCC[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 514326820 JYGZVXYKPXTZIN-IBGZPJMESA-N 497.643 0.185 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccc(C(=O)OC)cc3)c2=O)cn1 522387615 XFLOSOHGGKPOPE-HNNXBMFYSA-N 495.561 0.556 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522538623 OEFTWILHDPPSOZ-UHFFFAOYSA-N 490.513 0.133 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(C(N)=O)cc1 522541871 ZHAFHYFCSCXEBU-UHFFFAOYSA-N 472.526 0.714 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(CC)CC2)cc1 643012408 LDTUYWIVYNMOGQ-UHFFFAOYSA-N 451.593 0.575 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CCN3CCC[C@H]3C2)C1=O 726404310 VVLBOBYFIPVFKK-LDUKWVEPSA-N 479.628 0.897 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 726577944 ZKCRHLIOXPMYPQ-UHFFFAOYSA-N 480.527 0.419 30 20 JCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)COc1ccc(S(N)(=O)=O)cc1 727003154 YXEURORITFERCQ-UHFFFAOYSA-N 455.452 0.952 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](NC(=O)c3ccccn3)C(C)C)CC2)o1 727547743 OYUAPQQGYHGGBY-IBGZPJMESA-N 454.487 0.896 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 728572415 CIQZDUQWWMMWOK-UHFFFAOYSA-N 487.626 0.117 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 729256734 FRJBFVBONUFBDT-GOSISDBHSA-N 466.629 0.741 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccccc2C(N)=O)CC1 729928400 RNUNVGHQABPCDG-UHFFFAOYSA-N 486.506 0.112 30 20 JCED CC(C)(C)OC(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 743111320 NKUHGSLBBLDAMK-UHFFFAOYSA-N 466.516 0.459 30 20 JCED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 914651970 JGERVJIRKVIPHC-QHVLMSRDSA-N 453.561 0.885 30 20 JCED CN1CC(=O)N(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1=O 915382495 PPAJWPQILGHIAG-AWEZNQCLSA-N 457.487 0.793 30 20 JCED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 916942679 MUMWXBYZBRTSTK-IBGZPJMESA-N 498.517 0.945 30 20 JCED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnc(C)s3)c2=O)c1 917792083 VMCIZZGEXSPWIK-UHFFFAOYSA-N 495.586 0.984 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c[nH]n4c3nc(=O)c3ccccc34)CC2)o1 919465148 ATECTEGPZDQAQK-UHFFFAOYSA-N 461.438 0.850 30 20 JCED C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1303722342 NHMKAIZRGJPFFG-WMZOPIPTSA-N 458.592 0.724 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCNC(=O)C(C)(C)C)CC2)c1C#N 1304731175 MKGNZZZCCLVRKO-KRWDZBQOSA-N 482.593 0.632 30 20 JCED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)COC)CC2)CC1=O 1316116686 MZYADPCROSXICD-LJQANCHMSA-N 481.557 0.607 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 1318077459 KYMBFHHLDKFPGL-UHFFFAOYSA-N 465.528 0.834 30 20 JCED N#Cc1cc(F)ccc1S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1475161333 JOAYAJZQRDEZHG-UHFFFAOYSA-N 453.473 0.820 30 20 JCED Cn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)c2ccccc2c1=O 1517427017 MQJUSPITCZJJEQ-GFCCVEGCSA-N 458.429 0.302 30 20 JCED COCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1519118041 SYNMUKSMYCGPAV-KRWDZBQOSA-N 469.612 0.319 30 20 JCED CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1554301475 PCOFEPNGFQONIB-UHFFFAOYSA-N 459.576 0.621 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1617620700 RNRSOAVSBMKPHU-UHFFFAOYSA-N 463.502 0.404 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1620172720 NNBCSDRFGMOEJU-PKOBYXMFSA-N 460.560 0.998 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1690229314 SRECFSYBUMFBMK-SWLSCSKDSA-N 463.333 0.962 30 20 JCED C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)N(C)C 1692721637 UQZLDZXSOXNEQF-GOSISDBHSA-N 454.579 0.889 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCc2ccccc2C1 1692804718 TUMUASMSHZNJKS-LPHOPBHVSA-N 459.576 0.675 30 20 JCED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1693751774 YMEYKMRCUIIJJT-RDJZCZTQSA-N 457.560 0.765 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1696576100 IMVOZJFCJNRDOM-IBGZPJMESA-N 450.547 0.696 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOC2=O)c1 1729343333 YJIQIMWUNBMBNS-KRWDZBQOSA-N 489.558 0.766 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCC(O)CC2)C1 1741983577 KPVYGVUOHTVHGU-KNQAVFIVSA-N 495.650 0.588 30 20 JCED CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)NC)C2)CC1 1746457013 ZRDCPFHKQKHCOK-FQEVSTJZSA-N 472.619 0.582 30 20 JCED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1747608219 SREDBPITRQBPFI-UHFFFAOYSA-N 452.562 0.189 30 20 JCED CO[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)CCOC1 1748502077 MHKXVECOFWHCMW-JXFKEZNVSA-N 468.580 0.547 30 20 JCED CC(C)(C)OC(=O)NC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)COC1 1750496536 JTMHZZVPMLFIOT-HNNXBMFYSA-N 461.523 0.537 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1761481715 TVULTQISBSWVFV-GOEBONIOSA-N 458.610 0.986 30 20 JCED COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1770987639 LYYOPYIKBISWDO-JOCHJYFZSA-N 492.602 0.988 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)CC1 1778114879 JCIVJMSFRKUTOZ-QFIPXVFZSA-N 460.556 0.673 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)cnc2c1 1779102316 VAZYIDNMCSOGFB-VHWNGOAXSA-N 483.525 0.975 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1779104456 DGEODZSVCBAYPV-NYYNQUPGSA-N 460.413 0.796 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1779134945 SCPORLNGCXMULZ-HOGCTVLVSA-N 460.512 0.641 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1779538055 ILHGCKDLOMPRTC-PHWHVTFISA-N 455.437 0.741 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(N4CCCN(C)CC4)c(F)cc3[N+](=O)[O-])C2)C1 1780197778 MVMLDZYMHSLCQF-QHCPKHFHSA-N 473.505 0.953 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)N2CCOCC2)C3)c(Cl)c1 1781107532 LFMWUCOTFWBZQG-UNWVZKJWSA-N 476.961 0.990 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1782032102 VUEPXCNAHSQTRY-WJONJSRFSA-N 466.535 0.870 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1782786499 FOQCKQMPYBLMLQ-HSZRJFAPSA-N 481.465 0.780 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1783531202 IQDBNYPGSYSDPY-WUEHBLDCSA-N 466.494 0.273 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(O)cc1 1783565651 WODXYFYTMNDQHB-RDPSFJRHSA-N 487.509 0.876 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(C)(C)S 1783781034 AKDDCHSWTUIXLY-IERDGZPVSA-N 469.560 0.506 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1784445309 HSAHMGRTGIGARD-CJCBUOBESA-N 488.570 0.356 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1785596088 DBNHWBRUDYOZAC-KBJGYGKASA-N 450.536 0.551 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1785623258 DHVRDDWBQMCUDK-QVKFZJNVSA-N 466.539 0.072 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787016812 LNADHMRDFDHUDT-HAGHYFMRSA-N 486.569 0.745 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789881627 WASGCVHXIGYXFL-KHSAKVFQSA-N 486.569 0.972 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)CCNCC4)[C@H]2C1 1790620065 YIQRKVWIYDPRAN-VCOUNFBDSA-N 468.602 0.645 30 20 JCED C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072413 JRECQACUOXQWQI-LFDJNIOPSA-N 477.558 0.947 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)[C@H]2C1 1791164969 VJTQIFYAWOCSRJ-WBAXXEDZSA-N 497.957 0.076 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1792793829 JGSWMESEFXBTRX-HIAXNASMSA-N 499.630 0.276 30 20 JCED C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1793432717 AYIPCTUPYQJTBY-GFISCPRKSA-N 486.635 0.689 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795968908 VYYQEWFLIUOFAZ-UGNRZPKXSA-N 484.557 0.360 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C 1796390739 RHXCHZQOWKACSP-UYTYNIKBSA-N 453.536 0.154 30 20 JCED COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798925699 DCGSQSJXTWZALP-IUTQVRIDSA-N 475.542 0.458 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)Cc3ccc4ncnn4c3)c2c1 1799083900 BWONGECMBOHRFJ-FAQVEIGNSA-N 470.493 0.923 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)[C@H]2C1 1801940129 QYXPJHGIGUBGGN-SISKNIMQSA-N 461.515 0.595 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807147447 KJQHEAVHKHGQQW-PKOBYXMFSA-N 459.620 0.853 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1810389904 HXZWZCCAHROHJS-RCEHYNAKSA-N 475.469 0.239 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1814034994 BECMNVHYYHDHPM-YTWXUOMVSA-N 480.525 0.217 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828523042 SGJNHKZVAJIAMC-SFFGGSCWSA-N 487.557 0.221 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828969886 UOMVQDXKNFQSHO-QHCPKHFHSA-N 469.546 0.471 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)c1ccccc1 1830415409 SWTSDGSBAIQWJX-QLVMHMETSA-N 451.545 0.858 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1830881148 BGQNFUFLXXGLAQ-MHECFPHRSA-N 492.573 0.773 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)CCO2 1831248353 FQMSCZBCZZQCMF-HILQUJMNSA-N 482.537 0.494 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)SCC(=O)N4)C2)C1 1831394155 XRFACZKDYIFAEO-MWTRTKDXSA-N 473.551 0.839 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1831397366 RKUFQDSPHYWSBN-MBSDFSHPSA-N 483.562 0.022 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831404464 NSVBKJIAKUHAAZ-WZONZLPQSA-N 485.578 0.311 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831446127 AVIIOPBPNUSNDT-NRFANRHFSA-N 465.503 0.674 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1831999148 XHPPDQAQGVNFJE-SAHWJRBASA-N 480.562 0.191 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1832728397 IXZYUZXRUYNSEQ-RUZDIDTESA-N 493.520 0.462 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833076092 UICIFPNBQGURAV-SREVYHEPSA-N 458.607 0.698 30 20 JCED C=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)C(O)O)CC3)CC2)N(C(=O)OC(C)(C)C)C1 1833222997 CDEOMKWWIWCXRC-SFHVURJKSA-N 466.579 0.434 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnnn1C)CCO2)c1ccc(O)cc1 1833236736 RKJXKXITUWZDSA-DVECYGJZSA-N 467.526 0.788 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1833607236 GYDLRRGGYJSKER-KSFYIVLOSA-N 462.503 0.271 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833653225 ZQQTYWCTFFAQFA-HYBUGGRVSA-N 469.542 0.910 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833764612 IPTMZKXHEAXQJR-IBGZPJMESA-N 482.541 0.107 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1834768673 JENDHWRHGIJOKC-ZCVJKFOLSA-N 486.525 0.128 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834768795 PNLFNBPHCCPHPY-REWPJTCUSA-N 490.582 0.518 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835197176 QLRKYDFKWKQEBW-CYFREDJKSA-N 479.574 0.786 30 20 JCED CCOC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccn1 1835677215 BSWUCWDYSYEWRM-XMMPIXPASA-N 487.557 0.610 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835781939 UQWOTQDCPDAJAJ-OJLHXUGZSA-N 497.600 0.741 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4sccn34)CC2)CC1 1836076469 HATODHVTNSAFCQ-UHFFFAOYSA-N 457.512 0.029 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CCO2)C1 1836685920 WZYHCTXKAZTCGB-JJTGBXKASA-N 485.581 0.382 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4ncccn4n2)CCO3)c1 1836871933 MHLQVFQEUSNRDL-DEOSSOPVSA-N 476.493 0.993 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836977422 ILIJLTCKJQHPKP-KTGCVPNGSA-N 475.546 0.818 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1837000604 TWUVJOSGXPLLAR-JWRHBCIMSA-N 471.514 0.933 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837443475 BWBMKZKHFIVFEI-SGCYSOCQSA-N 455.519 0.271 30 20 JCED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c(C(F)F)n1 1837444117 ZFBUOINAAGMZFD-ZGRCRBMVSA-N 468.505 0.899 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cc1 1837560350 OAHXBVKHYJTXOP-UXMAWFNJSA-N 471.510 0.897 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837674838 OBBSIDNWLSNJAE-NTKDMRAZSA-N 463.575 0.446 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)C1 1838026842 ZZDQPIPOOCGWQZ-UZUQRXQVSA-N 453.499 0.580 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1838080446 QXYOFRNEORQTFM-HZHRSRAPSA-N 460.535 0.972 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838386255 IWJCGZAQHLLKDZ-CTNGQTDRSA-N 453.580 0.209 30 20 JCED N#CCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN(CCO)CCO)CC3)CC2)cc1 1838676650 XDBQKZHVOASLDJ-UHFFFAOYSA-N 472.586 0.651 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132817 RUHBCOMFHFZNEV-OSPHWJPCSA-N 487.557 0.273 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839174592 LRIAXLSSTLTRKT-JOCHJYFZSA-N 450.536 0.234 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O1)CCO2 1840016478 GICNCOMYKFKGBQ-QVDSOXLBSA-N 499.630 0.786 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnc3[nH]ccc3c1)CCO2 1840079461 DZETZRYGURPPQI-WPZMDXFYSA-N 481.553 0.810 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1840108115 IVGXOWWJLLRADG-DRSNIGMVSA-N 454.568 0.507 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840164929 TVGGXXPCTOZCBX-PTDBIEIZSA-N 473.592 0.131 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CCO2)C1 1840610365 HSNHHUTWUXIAGH-YFLMOKSQSA-N 491.585 0.805 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)C2 1841054892 PMDDOUJKHLUNJW-WAYWQWQTSA-N 485.629 0.771 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1841580118 GVRNTHGDTLJHIG-HZPDHXFCSA-N 472.608 0.987 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153406 HFCAYSSJPJRYAR-KRWDZBQOSA-N 452.515 0.421 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)C1 1844288510 DOIIINSVGFUPCW-ROUUACIJSA-N 479.530 0.601 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(C(=O)O)ncn1)C2 1847071534 QNZRNJMGKVOQIA-AWEZNQCLSA-N 457.487 0.908 30 20 JCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C1 1847100227 ALHRGKSNSTZNGI-KBPBESRZSA-N 457.597 0.850 30 20 JCED C=CCc1cc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc(OC)c1OC 24698271 LHZXZBVKWIXKQC-UHFFFAOYSA-N 452.577 0.682 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)cc1 109198321 ZREPQNNHAREQEF-UHFFFAOYSA-N 457.468 0.049 30 20 JCED CNC(=O)CN1CCC(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 503266991 VILGKLOSGVZIMV-UHFFFAOYSA-N 456.526 0.907 30 20 JCED CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 516010296 FBJQACIKPWZPIQ-UHFFFAOYSA-N 483.550 0.661 30 20 JCED CS(=O)(=O)c1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccccn12 517891388 GNUHTAWQMLHKMZ-UHFFFAOYSA-N 473.536 0.756 30 20 JCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(N)=O 559447876 STSJCPLBNXNEGC-UHFFFAOYSA-N 461.565 0.307 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCC(=O)N3CCN(C(C)=O)CC3)nnc12 593852037 GZSKXMXBYLBNCA-UHFFFAOYSA-N 497.581 0.519 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1 602252173 GGIWGWHURCNXRI-UHFFFAOYSA-N 496.904 0.832 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCCCO3)c1=O 603986647 IKYQJADPUDSEQC-UHFFFAOYSA-N 499.589 0.860 30 20 JCED C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 604043512 ZJCWSOQMFFIASW-CQSZACIVSA-N 468.582 0.820 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 604196555 PPKYJSJRUIFBQK-UHFFFAOYSA-N 456.528 0.282 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 608819113 WXCNPEZCRQKPEM-UHFFFAOYSA-N 461.530 0.796 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(C(N)=O)cc1 726577122 JJZQEDITOKEERB-UHFFFAOYSA-N 497.602 0.809 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCc2nc(C3(NC(C)=O)CCCCCC3)no2)CC1 728532318 UOFZTDNCWKXUCS-UHFFFAOYSA-N 458.563 0.581 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 729256595 CDMKKTYOMFZZNX-UHFFFAOYSA-N 459.591 0.797 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 729671437 MRTIPMWQCTWWIK-UHFFFAOYSA-N 471.482 0.153 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)N1CCN(c2ccccn2)CC1 748243143 ZNCSBWRBVLCFFF-UHFFFAOYSA-N 470.555 0.365 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 749004393 HTUUODFFXGFDPZ-UHFFFAOYSA-N 460.487 0.868 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccccc2O)CC1 853706422 XHQCIMSJTCDVQA-MRXNPFEDSA-N 472.523 0.823 30 20 JCED CC(C)[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@]1(C)CCS(=O)(=O)C1 876701243 PMKLNAGVPJOWCV-GHTZIAJQSA-N 499.611 0.767 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)n(C2CC2)c1=O 914564948 NNAUJASXBVKQIZ-UHFFFAOYSA-N 476.562 0.957 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(C)(C)CN(C)C 1288863903 UNPVILQEYUGXDP-DOTOQJQBSA-N 452.629 0.653 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359076681 JKYGMQRDDGGHET-ZIAGYGMSSA-N 491.412 0.625 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N2CCCC2)CCOCC1 1360681063 MUERVAPLDREQFC-LPHOPBHVSA-N 469.587 0.975 30 20 JCED CCCS(=O)(=O)N1CCC(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1646028994 QNVYZCFHIWACMD-CQSZACIVSA-N 456.590 0.824 30 20 JCED Cc1cc(C)n(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)n1 1707840081 XIULYOOUFJAIKU-PKOBYXMFSA-N 475.623 0.969 30 20 JCED CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1711162839 JNSCODLWMWRRMB-UTKZUKDTSA-N 461.544 0.751 30 20 JCED CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1727110729 PFJPNOZGWHODNX-KBMIEXCESA-N 497.600 0.917 30 20 JCED COc1cccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1730219132 RSCUPIZGFTXWDK-IPELMVKDSA-N 477.591 0.929 30 20 JCED Cc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1742221187 JGTRBXRWWJCZHW-RTBURBONSA-N 460.560 0.891 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)C1 1771359936 RERZEXBJNCKSFX-KUHUBIRLSA-N 481.579 0.993 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777785568 YZDUTXLBPGMFKP-QFIPXVFZSA-N 456.503 0.694 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778781710 PEJCIOACVFTVMI-DMPWYTOCSA-N 484.550 0.350 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)[C@@H]1SC(=N)NC1=O 1779017276 JEPNMCSRADFPCE-UFKLXUSWSA-N 450.565 0.090 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106495 KKEVHPVLAOGORZ-SBPAHFPHSA-N 473.530 0.559 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CSCSC3)C2)C1 1779141970 SRCVGVNWVNVCFI-NJXZSYQISA-N 454.618 0.718 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1779317742 GFLROHUTTMMUCJ-NFBKMPQASA-N 458.515 0.090 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779419575 BSBCLQMRGCFDRF-KWRQKJOZSA-N 452.552 0.944 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1 1781204809 OEVZOFILSFXMJP-DCLXLUIPSA-N 482.541 0.713 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CNC(=O)C2)C1 1781782347 ZREVAXQROHGCIZ-NDBKNAECSA-N 476.574 0.553 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC)c(OC)c3O)C2)C1 1781820943 DLAFPDIDEYUMOM-XBKFQHLESA-N 459.499 0.711 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782013493 NRJPZDOTOGGWHW-OPAMFIHVSA-N 453.455 0.656 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782681522 AIJTYPMAVVSABY-JOCHJYFZSA-N 453.455 0.342 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(C)(C)C 1783563006 VDJQMOODKSZSDC-VGSWGCGISA-N 451.520 0.844 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(I)cc1F)CCO2 1783567857 DZLHEQSGKIJCNG-GOSISDBHSA-N 486.237 0.962 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784478951 PZEKHFXOWUBLIP-SARNLOFESA-N 458.515 0.011 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 1784500973 ATDJWXPFULUACV-MRHSLFKSSA-N 451.545 0.670 30 20 JCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)[C@H]3C2)CCC1 1788080575 GJKIANWFOFVMSF-MPGHIAIKSA-N 475.509 0.858 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CO)on3)[C@H]2C1 1789381526 VUCNMSGJLLSFGI-XPYUAMARSA-N 476.530 0.677 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1789905887 XVKHUYIZTNAUQS-FJIDUMEYSA-N 487.619 0.870 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3I)C[C@@H]21 1791073174 PEGCANQWWJPHBE-ZOBUZTSGSA-N 496.301 0.901 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@H]2NC(=O)NC2=O)cc1C#N 1793946285 HFMIEWSQSFCBOW-AXVVYFOYSA-N 469.498 0.147 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)Cc4ccccc4C2=O)C3)CC1 1795410057 ZDDUYBBIDNLKKP-UPHUGPLXSA-N 450.495 0.495 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796384544 FDFMSRZPKKJWRY-BRAZCHQRSA-N 465.532 0.619 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)c(C#N)c1 1796429632 ULCPLZBFBIRSNF-APGOHJEMSA-N 485.566 0.501 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797803695 MRJJCZWKSVWQOB-ZPXGPAEQSA-N 496.605 0.086 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C3)c1 1799799660 IYACMOJLWZPVMY-YRPNKDGESA-N 472.542 0.956 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)[C@@H](C1CCOCC1)C(=O)N3)C2 1800777119 DXSPSHJHCNYABB-OIDISNMWSA-N 481.505 0.440 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C1=CCC=CC1 1800777182 KAHAHAHGCJTRHJ-HRQSHJORSA-N 473.526 0.834 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778908 VZEVNNMTLJJGMF-PHSQPZKOSA-N 463.531 0.748 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cccc(=O)n2O)[C@H]1c1cccnc1 1802476331 HOFBXBZISMQPTR-XKOLFZHYSA-N 451.483 0.659 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Cn2cncn2)[C@H]1c1cccnc1 1802482366 LVIUAKHEVBXBRH-OVKYQLIQSA-N 451.531 0.874 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1804430899 SSJGIOHXDCHHGB-QEOTZNIISA-N 466.579 0.966 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)[C@@H]2c2cccnc2)CC1 1809669224 OSBGPANQQIBFBM-LKDQLAPJSA-N 480.569 0.964 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3nc4ncccn4n3)sc2C1 1818302207 VQYKULGTMWNMFO-ZHRWSRJISA-N 452.500 0.665 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661335 PNCNSHKVOFASLE-RISCZKNCSA-N 476.511 0.722 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CS(=O)(=O)CC)CCN2C(=O)OCc1ccccc1 1828579486 JLEHJKOMHLQHAX-QFIPXVFZSA-N 461.540 0.506 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCN2C(=O)OCc1ccccc1 1829184053 VGZAILKDWWNRKZ-HSZRJFAPSA-N 452.467 0.866 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCN2C(=O)OCc1ccccc1 1829244723 QDUJFPNXBACNNE-XMMPIXPASA-N 494.508 0.927 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCN2C(=O)OCc1ccccc1 1829333257 FHQGENADBLNFJR-VWLOTQADSA-N 492.488 0.941 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1829466264 IYCHZERFTJDOLG-STWLZBDKSA-N 468.554 0.575 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3cccc(Cl)c3)C2)C1 1829765572 ZTMWBHSUDYSLRM-DYFHXQJZSA-N 476.961 0.655 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(Br)n3)C2)C1 1829766066 JEWAJHLDUOOJLA-ZRHASKPBSA-N 499.387 0.834 30 20 JCED O=C(/C=C\C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)NC1CC1 1830468376 KZMAWILXBSLSME-SINIUOCSSA-N 471.941 0.983 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)CCO2)C1 1830737139 BHXMAIRCNSDWLE-IUKKYPGJSA-N 467.563 0.642 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830886188 CFDCOFBYCXMHOO-JTSKRJEESA-N 451.520 0.597 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831398428 AWROIDGUSPMBGM-WAIKUNEKSA-N 451.483 0.543 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1831490553 CVFIXZAWDINRPD-OFNKIYASSA-N 476.599 0.751 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832920829 LHXYDISIEDDZEW-UZUQRXQVSA-N 493.561 0.846 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CSCC(=O)OC)CC2)CC1 1833074269 DZVGTUUJRMSISK-PLNGDYQASA-N 466.604 0.323 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833114477 HKGZOOONASJUQP-YADARESESA-N 489.573 0.945 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833569666 CYWCYEWUQABTKH-HSZRJFAPSA-N 476.505 0.551 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1833712445 JWQLISAEWBVKPS-AOMKIAJQSA-N 463.535 0.949 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834602765 LKPNKVJAZDTSEK-SFHVURJKSA-N 451.568 0.747 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1835360134 UMKBPCZXCGBEKJ-MRXNPFEDSA-N 473.271 0.388 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1835680962 PVQMUIYAHBUMIR-XMMPIXPASA-N 481.557 0.619 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1835732029 DYAOFPUSOQPQQF-JJIBRWJFSA-N 458.563 0.743 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837116068 RGEOQZREABTUTR-SJORKVTESA-N 450.536 0.156 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837135456 IZQQSJFTROUUTB-JOCHJYFZSA-N 459.524 0.811 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1837314116 IRDGQOAPMYWIEJ-FDDCHVKYSA-N 460.531 0.482 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)s1 1837489748 SWQRMDLZHLUCIN-JOCHJYFZSA-N 462.572 0.544 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837491298 XQHXQJXWMSOQOZ-LPHATQMZSA-N 457.527 0.854 30 20 JCED Cc1noc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524476 IDLAPJSHVWKABJ-UWDDZFTESA-N 450.492 0.890 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837693384 PLIKNLISSYYFKS-KOSHJBKYSA-N 454.527 0.638 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1838652699 LDKQCVNNVKGIOY-HNNXBMFYSA-N 454.524 0.329 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(-n5cncn5)c4)C3)C2)c1 1838740670 QCCMTYGYKBEOIZ-QHCPKHFHSA-N 461.482 0.851 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1838742436 FKHOUQCENXCHOL-ZGVNINRLSA-N 468.466 0.787 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1839101054 HTTKOUFTVMHANV-CPJSRVTESA-N 469.586 0.193 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132428 GKWXXBOTUFZTPX-XDHUDOTRSA-N 470.526 0.256 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)c(C#N)c1 1839132582 JEKKDRQPPVMMGA-VWLOTQADSA-N 495.536 0.859 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839239072 KGEIUNYGWGMVGB-MQNAVGNWSA-N 490.561 0.204 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839513555 PBWIIUXIPBKNGM-ASKWSNNQSA-N 499.524 0.934 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1839671315 YERAWIRPFTVOCI-XDHUDOTRSA-N 481.509 0.958 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)n1ccnn1 1839706879 BGTQYZCWFTWUAO-VBKZILBWSA-N 493.446 0.895 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839713180 WVUJISPCIXDYOZ-IEGUWTFLSA-N 490.561 0.212 30 20 JCED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839858535 ITOYLCJDKAZEPK-LJQANCHMSA-N 469.420 0.178 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(NC(=O)OC(C)(C)C)(C1)C3)CCO2 1840003325 KGRRQVPWNYDEQL-VLXQJXAPSA-N 491.585 0.929 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C34CC(C(=O)OC)(C3)C4)CCO2)C1 1840005500 FZTCTRHOXKJZRI-KIBJDZNYSA-N 450.532 0.359 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO3)C1 1840055099 FGPVKUFFNOSERN-HOYKHHGWSA-N 495.573 0.865 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1840077827 NPYNUJKUJZHVNU-RUZDIDTESA-N 489.569 0.892 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840089096 HXHRTVFIMSHBHU-UZUQRXQVSA-N 481.594 0.638 30 20 JCED Cc1cnn([C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1840405611 XMOQGQALKUVUJP-GBXCKJPGSA-N 458.559 0.908 30 20 JCED CC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n[nH]1 1840818764 WLXNHKKTERQTCF-QHCPKHFHSA-N 467.482 0.633 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1840819761 DECPGUSIQBNNQY-AREMUKBSSA-N 490.516 0.951 30 20 JCED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CC1 1840820136 APTQENAGNKFURA-QFIPXVFZSA-N 457.483 0.347 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 1841984780 KGQQMHDOVWFWSF-INIZCTEOSA-N 454.531 0.406 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843999972 SBUIGYOEHGIOIX-INIZCTEOSA-N 484.557 0.750 30 20 JCED CN1CCN(CC(=O)N2CC3(CCCN3C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1845137271 BSKFDOKUFLJBOH-UHFFFAOYSA-N 488.633 0.978 30 20 JCED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2)NC(=O)OC(C)(C)C 1846933942 XNMDYAUHTVSKGJ-HNNXBMFYSA-N 474.495 0.774 30 20 JCED COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 19420149 LQQNYYMVMKKPQJ-GOTSBHOMSA-N 454.483 0.964 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3F)c(=O)n2C2CCN(C)CC2)CC1 513042077 POYUFZXVPMPNQJ-UHFFFAOYSA-N 483.613 0.983 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C(=O)OC)cc3)c(=O)n2C2CC2)CC1 514491361 GRWLSLUDFJWMJB-UHFFFAOYSA-N 466.563 0.698 30 20 JCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 519456644 NPDXAYSQPVJKDB-QGZVFWFLSA-N 465.576 0.096 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)cc1F 608828052 HVUBXLJVCPPVLM-UHFFFAOYSA-N 469.498 0.142 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)C1=O 680300270 XAUOZUHWMNZZTL-UHFFFAOYSA-N 460.512 0.727 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3c(C)nn(C)c3C)c2=O)cn1 726180454 LHMRVKZKRJKTHC-UHFFFAOYSA-N 469.571 0.122 30 20 JCED C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 731203926 WSOFYIHPEZVDDO-IAGOWNOFSA-N 461.588 0.564 30 20 JCED Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 769635156 ZAVWQGCKXPKWSL-UHFFFAOYSA-N 458.496 0.785 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)cc1 811832508 SBYFEFXHOPQBFX-KRWDZBQOSA-N 470.569 0.571 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccnc2-n2cccn2)CC1 878914759 JDXFLXGZOAERPM-UHFFFAOYSA-N 480.506 0.829 30 20 JCED CCOC(=O)N[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 915027364 CATVOQJHSSVVPO-IBGZPJMESA-N 480.543 0.705 30 20 JCED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916872480 DOYSDNYOKBOXGV-KRWDZBQOSA-N 450.517 0.061 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCn2cc(Cl)cn2)CC1 919572619 XHNQSVOQJUVJHA-UHFFFAOYSA-N 465.919 0.875 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(F)(F)F 1288863850 SKROBOODPNIYMX-VXGBXAGGSA-N 473.485 0.827 30 20 JCED CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1298740702 TWICMJICEGVTGK-LJQANCHMSA-N 474.587 0.932 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)N(C)C1CCCCC1 1541942925 MPLNVQCWNONSSG-APWZRJJASA-N 492.650 0.856 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 1544722853 WPFSGCAPVCBJHJ-HNNXBMFYSA-N 458.544 0.627 30 20 JCED N#Cc1ccc(CSCC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1586759394 QWOZPUBZBHOFCG-GOSISDBHSA-N 450.586 0.239 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1618842321 PIVMRQVFDDTHBO-IBGZPJMESA-N 470.559 0.776 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1690229313 SRECFSYBUMFBMK-IUODEOHRSA-N 463.333 0.962 30 20 JCED CCN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)S(C)(=O)=O 1695745885 OBXSOALFETVHSC-IRXDYDNUSA-N 464.596 0.077 30 20 JCED CCCN1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1728160130 XGLYXTQMSQACDY-KSZLIROESA-N 467.596 0.214 30 20 JCED CO[C@@H]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730356174 AHRBPMWHYRGLOH-BURFUSLBSA-N 451.597 0.880 30 20 JCED CO[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)CCOC1 1748502080 MHKXVECOFWHCMW-UZLBHIALSA-N 468.580 0.547 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C 1752387723 KCOPNWQVOKKCEF-FUHWJXTLSA-N 487.586 0.677 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)cnc2c1 1779019840 VRQQZVDOYQFGMI-AQPAOHHBSA-N 466.542 0.918 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)no1 1779062910 MWFWJFJJOLOHJS-HSZRJFAPSA-N 458.515 0.840 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779106498 KKEVHPVLAOGORZ-TZXSAOORSA-N 473.530 0.559 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780061848 YKMNWQTXTTUYPE-HPARJBSBSA-N 450.455 0.245 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1780739447 KEDPIUOAXPTPDJ-FBGZYWISSA-N 480.587 0.812 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 1780785142 KCNICFFNFWWUOO-IPRDPGLQSA-N 481.590 0.814 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1781049420 JATTUQMZSUXHOZ-ZDWFVDTJSA-N 483.562 0.853 30 20 JCED COC(=O)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c([N+](=O)[O-])c1 1781164995 WYNFUWZQDFMVPE-VGOFRKELSA-N 473.438 0.597 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1781168353 SRZGRRWWQBHUDX-UZUQRXQVSA-N 474.562 0.955 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1781393774 VKKMXDKJFPHLEC-YVHKJVDXSA-N 470.567 0.893 30 20 JCED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2)C(F)(F)F 1781804749 MBOKQRRFVBJXGB-DNVCBOLYSA-N 455.437 0.873 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1)NC(=O)OC(C)(C)C 1782666916 MVGLZNKIVPVAKI-HOYKHHGWSA-N 489.573 0.933 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1783784026 KYPNCBDTCQZMAC-MFEFFIJZSA-N 483.562 0.864 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783982020 BPPSHCKXFLQVIK-JLTOFOAXSA-N 490.479 0.411 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1)c1ccc(O)cc1 1784018052 FKNSDHCEFJQMTD-FPGHNAPASA-N 456.543 0.312 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cscn1)CCO2 1785378555 JSENTFFYFOTCNA-AVRDEDQJSA-N 455.540 0.793 30 20 JCED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21)C(=O)O 1786898571 MBQWYVCMSXBEKY-PLYYQAHHSA-N 454.487 0.091 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1788591947 FIIWLTQYCVMTIQ-BZSNNMDCSA-N 462.623 0.569 30 20 JCED COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637507 XWHPOIDWUKOZOW-FKBYEOEOSA-N 480.602 0.734 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076866 MYCKYLPGSCICFB-QEOTZNIISA-N 467.494 0.402 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)ccc4F)C[C@@H]32)c(=O)nc1O 1792133287 ZYWDTSQRBPGDGQ-IEZWGBDMSA-N 469.473 0.562 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1792272170 JTFKSDQWTOCISG-QAETUUGQSA-N 477.562 0.429 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(NC(=O)OC)c1)C2 1792490760 MLPVAXUFZIXKTL-KAXDBTLWSA-N 456.499 0.927 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1792887810 DDCQQEVGNAJRRB-BMQTXXJKSA-N 488.541 0.412 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nnc(C)o1 1795792332 TXZYSEWKVLXNSG-FVSFCRNKSA-N 475.546 0.980 30 20 JCED Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)cnc2s1 1797064425 JTZNFEMUFOLICO-KZNDPNRCSA-N 489.554 0.797 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1797744145 QYMCHPVUIRYLLH-JQMQOJCPSA-N 465.554 0.958 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1797929245 LGAZHMAWKYIZRM-BCEDRHLLSA-N 452.515 0.943 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798573867 XNOHIYRRHDJYBC-KUZCPNRJSA-N 464.544 0.098 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 1799303788 YWIXNOLZZJYZMK-UPHUGPLXSA-N 470.526 0.590 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1799332154 UBEXROBPFSQGDB-UJMXGEILSA-N 486.525 0.556 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C(F)(F)F 1799367434 YLEHZSMZIJYNRA-FQLMCAECSA-N 465.469 0.970 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc(C)c(O)nc2=O)c(O)n1 1801972537 KMAAMTYVYNHCQY-CWPLJXCYSA-N 483.525 0.380 30 20 JCED O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1802105046 XNKONNWYTJERKX-BPNQKZMOSA-N 479.605 0.937 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)OC)C2 1802125378 VYQDJDNTPGIWEY-RCJHGTSTSA-N 451.520 0.446 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803909847 SQVDNXJHNLVCLI-WAOWUJCRSA-N 486.525 0.811 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804095175 ZUIKBAZEDUHSEE-OXQOHEQNSA-N 457.487 0.149 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806077553 GHIFMMDRFKENMO-OXFYSEKESA-N 450.499 0.379 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c(C#N)c1 1808178332 DCUZGYHZDRUUFZ-LVXARBLLSA-N 495.580 0.497 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812878621 KGWJFYFCMHDEHZ-LVCYWYKZSA-N 486.525 0.811 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)c1 1819889248 GGBNJUXTLGJHCQ-BTYIYWSLSA-N 471.539 0.900 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)C3(N4CCN(C)CC4)CC3)sc2C1 1822712029 HAPPWKIIPQYGMH-MWWKQMNYSA-N 472.615 0.694 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COc1ccccc1C#N)CC2)C(=O)C(=O)O 1824676928 KIOYPPJRKDNQCJ-ZDUSSCGKSA-N 471.495 0.549 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1829845663 FWSVANJTDUIXTQ-XUZZJYLKSA-N 456.543 0.862 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1830425560 KSNMHOLVEKKCBR-RUZDIDTESA-N 484.553 0.773 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnn4)C3)C2)c1 1830464554 KPXALSKGJMMFFX-DEOSSOPVSA-N 465.510 0.816 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1831425366 UBYZSVZDHPJMNP-GSRZOBFVSA-N 497.589 0.404 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1832455906 BQEDQFMQUNTTOB-NRFANRHFSA-N 463.560 0.006 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)cc1 1832801189 TYUQJCAVVOPSCA-OAQYLSRUSA-N 454.443 0.433 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833208350 PXTHEKACYWNLMA-JOCHJYFZSA-N 462.934 0.899 30 20 JCED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1833490601 RLELIDMDTIBMAZ-LJQANCHMSA-N 483.660 0.978 30 20 JCED N#CCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(N4CCCNC(=O)C4)n3)CC2)CC1 1834033337 ZZQMEICNEABAPY-UHFFFAOYSA-N 467.574 0.507 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1835640599 OBKOLSXNGKQLDU-OPAMFIHVSA-N 467.567 0.235 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1835644565 UZHFGPLDYKUNII-QHCPKHFHSA-N 456.543 0.674 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCSC(=N)N)CCO4)C3)c2c1 1835652686 RSYBRHJITPSLGE-OAQYLSRUSA-N 471.543 0.521 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1835675208 XBKGOPBIDXMRIM-YKSBVNFPSA-N 457.575 0.467 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)o1 1835677448 IMEBKWJNWFANME-JOCHJYFZSA-N 461.519 0.590 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1)C(=O)O 1835760983 IJYNUASYNYZYIO-PGRDOPGGSA-N 467.639 0.557 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)c1 1835998390 YJLOEIWCBGNRCZ-XMMPIXPASA-N 450.495 0.799 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836027460 LHTQYMZGVSBOFQ-HXOBKFHXSA-N 491.545 0.294 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1)[C@H]1SC(=N)NC1=O 1836169993 NPEPJNHKBMUGTO-SCLBCKFNSA-N 471.587 0.874 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(C(=O)OCC)ncn4c3)CCO2)C1 1836254003 PJVPVVARKPAOMN-IQGLISFBSA-N 498.536 0.619 30 20 JCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837436908 JGQLEBBSLQRPJO-XMMPIXPASA-N 465.510 0.986 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Nc2cnccn2)CCO3)c1 1837483456 PLTLRWMWFKSUFZ-MZNJEOGPSA-N 480.525 0.927 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525046 RVRUBGVNLXACJF-LPQMPUQFSA-N 463.535 0.505 30 20 JCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837528442 KLAFXRFDXAVTPH-UPZXMLDGSA-N 486.529 0.637 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)C1 1837530126 JBTBDILJFCQMNO-OVFAMLIDSA-N 495.573 0.951 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838333763 NQCAVTCOHPYRLD-CYFREDJKSA-N 490.557 0.859 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c1 1838580893 VWBXJSDENYQDNH-HSZRJFAPSA-N 456.499 0.259 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)c1 1838585092 YGXDTFYTZWKHHQ-RUZDIDTESA-N 490.520 0.922 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742330 CYYSRZIWKMKPCH-XDHUDOTRSA-N 465.510 0.775 30 20 JCED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1OC 1838841489 YPGMUYUOKSZDPI-QFIPXVFZSA-N 455.471 0.682 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN(CC)CC)C2)C1 1839176202 BFMDYMWEFVUICY-AUSIDOKSSA-N 453.580 0.930 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1839227040 INBNWYGJPFVEKI-HOYKHHGWSA-N 491.541 0.707 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839274442 YQHBGWBVTUWRCA-GTBXIFBCSA-N 492.485 0.899 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnncc5C(=O)O)C4)C3)c2c1 1839488244 GVUTXPZMPAHJBL-HSZRJFAPSA-N 491.464 0.307 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488255 HDJGCFQYRRNZFN-GYCJOSAFSA-N 490.524 0.795 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3[nH]nc(C(F)(F)F)c3c1)CCO2 1839614206 QQZKLCPEXRMULO-HXUWFJFHSA-N 480.399 0.740 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044002 HIVHCXFALVPVPX-HXOBKFHXSA-N 479.530 0.320 30 20 JCED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840044961 KBYHVWKZUWMTCJ-QHCPKHFHSA-N 477.514 0.098 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1840157906 DOIPUAOIROMVDX-QRQCRPRQSA-N 461.540 0.447 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1840194585 WNCZEYCHRWBIBT-NRFANRHFSA-N 463.512 0.211 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251762 WVDXFTCXZAEMIL-JXQFQVJHSA-N 476.574 0.536 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2)c1ccc(O)cc1 1840264445 ZWXKNULNRFFIIT-FNZWTVRRSA-N 495.532 0.271 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1840909332 RJKXESOMDLBDKS-KOSHJBKYSA-N 488.541 0.774 30 20 JCED C=CCOCCCC(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1841606676 PCVWFOBKEKDBQA-INIZCTEOSA-N 452.552 0.941 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)c1 1841985010 LWDPMCWQRRJLCX-UHFFFAOYSA-N 475.509 0.131 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1845188370 NGEIUJWMDZFGFE-UHFFFAOYSA-N 464.482 0.897 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825618 WKSZUWAHJAITNO-UHFFFAOYSA-N 451.439 0.911 30 20 JCED CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)C1=O 10167108 JOSDHMSJWZCITQ-UHFFFAOYSA-N 493.542 0.750 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br 11437778 QHVHZQGKFMYKLB-UHFFFAOYSA-N 470.248 0.561 30 20 JCED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 410011242 MKOXMVAUBMDJAJ-UHFFFAOYSA-N 455.536 0.880 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OCCOC)cc3)c(=O)n2CC)CC1 501221836 NLVWTSUQMPVBBS-UHFFFAOYSA-N 470.595 0.622 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccnn3C)c2=O)cc1 502055097 SXZVXKWJLCUZFH-OAHLLOKOSA-N 467.551 0.685 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)C1=O 504739219 BXFHIKLJWKJMID-UHFFFAOYSA-N 464.500 0.785 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 516371995 IVIDFGCXICCZJP-UHFFFAOYSA-N 471.445 0.759 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O 524121970 VOBQXWOSHZCYPF-NSHDSACASA-N 487.525 0.995 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C(N)=O)c3)CC2)cc1 563903680 YHMLQZOGKIOELW-UHFFFAOYSA-N 475.914 0.782 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCNS(C)(=O)=O 608912248 IWDHXWUOSNAQPB-UHFFFAOYSA-N 486.978 0.281 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3ccccc3F)cc2)c(=O)n1CC(N)=O 727160619 GVXSZWYOUSADOS-UHFFFAOYSA-N 492.532 0.918 30 20 JCED COC(=O)CN1CCN(c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 728834006 MAQGPLYYTGHTIA-UHFFFAOYSA-N 471.539 0.659 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CCS(C)(=O)=O 729671657 TWYXLJMMGSXSRJ-UHFFFAOYSA-N 491.616 0.435 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O 748836459 RNTZIPLBLQHVLA-JKSUJKDBSA-N 464.544 0.549 30 20 JCED CC(C)[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 877877273 VILZYTSDQDPUOI-FXAWDEMLSA-N 485.584 0.753 30 20 JCED CCS(=O)(=O)N(C)CCCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 918574614 YAJFPBUEKVQERP-INIZCTEOSA-N 458.606 0.928 30 20 JCED CCOC(=O)N1CCN(S(=O)(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 919940085 OLXONWPJUDHKTN-UHFFFAOYSA-N 461.548 0.867 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O)C1CCN(S(C)(=O)=O)CC1 1298132989 INTOJKPUZUCCBC-UHFFFAOYSA-N 466.589 0.722 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1317908426 CDLRNEWKDHRVPB-UHFFFAOYSA-N 462.572 0.727 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507785449 OGBPNIUUUIAJRR-ZFWWWQNUSA-N 491.412 0.577 30 20 JCED Cc1c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cnn1C 1510511796 ZXAWTUREEOKJBK-CRAIPNDOSA-N 452.516 0.143 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N1CCOCC1 1606966994 VVTSLCFAORLJPB-SFHVURJKSA-N 497.622 0.236 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@]1(O)CCN(C)C1 1609509692 WBTJBTCYBHWWQP-XXBNENTESA-N 453.547 0.932 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(O)CCOC1 1692794926 GXGGGKIFOPRDPS-BTYIYWSLSA-N 493.565 0.377 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nnc2n1CCCCC2 1706871342 OGMJXYVGHZQGNV-SCLBCKFNSA-N 451.532 0.696 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCCC2)C1 1712707132 WQXZMXRQLWHCGU-HZPDHXFCSA-N 454.553 0.035 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CC(=O)NCC(F)F)CC2)c1C#N 1725868390 NYSHDUHLHYDFRJ-UHFFFAOYSA-N 458.477 0.895 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOC(C)(C)C1 1741803540 RBFGPKSEXMOVDA-IRXDYDNUSA-N 469.612 0.460 30 20 JCED CC(C)(C)OC(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750506873 CXOXEWQXAFWDQJ-NVXWUHKLSA-N 479.607 0.881 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1761437956 VZYHCTZTDRGEKR-FUHIMQAGSA-N 485.586 0.021 30 20 JCED CS(=O)(=O)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771353388 IFUDSKPKCHCILT-GOSISDBHSA-N 492.627 0.960 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CC1 1778351626 HHBSHQWWWUUHER-DEOSSOPVSA-N 453.543 0.095 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1)c1ccc(O)cc1 1778359760 XQIWFIMTLVSVFH-KCWPFWIISA-N 496.608 0.883 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778950880 NMMOWIIYFMGAKH-SAHWJRBASA-N 481.594 0.993 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780338096 YNUJDICZZHXLSJ-HTAPYJJXSA-N 461.519 0.606 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1781165696 UGLHROOKEKCAOW-KSFYIVLOSA-N 460.535 0.945 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781353312 KAQZDGANVKNCKD-IOJRYNMNSA-N 478.546 0.804 30 20 JCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)C1CCN(S(C)(=O)=O)CC1)CCO2)C(F)(F)F 1783204725 CJUCSGAVUTYWQO-KRWDZBQOSA-N 453.483 0.606 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccc(C(F)(F)F)cn3n1)CCO2 1783562110 CJFUKWICBDIBBY-GOSISDBHSA-N 451.361 0.280 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1783602120 KQCANTQRFZBHDH-HXOBKFHXSA-N 489.529 0.786 30 20 JCED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(C#N)cc4)[C@H]3C2)CC1 1783603548 LJRYPRBFXFPFGZ-VABKMULXSA-N 453.587 0.718 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1)C(C)(C)S 1783781280 GBFZDFXVEATNPP-YAEBDLLGSA-N 498.646 0.944 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@@H](C)CC(N)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088475 GFJGWWKIHPZVFX-HKARXFIJSA-N 464.563 0.893 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1784786290 UBVQKMRJNIZBPS-TXTZMMAHSA-N 464.563 0.714 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC(F)(F)C(=O)O)CCO2)C1 1785574337 HKJDWKYWLJQFCE-VLIAUNLRSA-N 473.473 0.843 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1785592438 AVXRSMOMRFEPPG-GRFCFPJTSA-N 489.573 0.894 30 20 JCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C[C@@H]32)CC1 1786697449 ZPMNTFIYVFHLMN-XIRDDKMYSA-N 452.471 0.576 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21 1788474170 YSUHHPOSMHLPNC-PRIDNEQBSA-N 460.487 0.225 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)N4CCOCC4)C[C@@H]32)c1Cl 1789270236 IKTNCVVUWYCZIK-QUJKESNLSA-N 462.934 0.456 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]32)ccc1F 1789908065 IDBAPCBQLOQJQZ-QRTARXTBSA-N 470.423 0.898 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C[C@@H]32)c(=O)nc1O 1792130719 ZVLXAHBHZMOLHO-UFYCRDLUSA-N 465.510 0.351 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)ccn3C)C[C@@H]21 1792256745 JFUGNOSRVIRCLZ-ROPHOZQPSA-N 486.569 0.895 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)OC(C)(C)C)C2 1792485936 WOIPQCTYCCQOJO-XJPXHFRYSA-N 450.536 0.301 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1792793902 LZIGBZVTTRPXBC-GYSAFQFGSA-N 482.603 0.542 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1792886625 HUGIGCFDLDKAEY-SHJAMOMRSA-N 490.532 0.715 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)C2 1793344387 NDNMKAUZIUPNTB-QGLBADPUSA-N 467.538 0.963 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)cc2NC1=O 1795599520 PKSOPSFOXAIWMQ-DFYYWFRZSA-N 469.542 0.891 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Br)c(CC)nn1C 1795959608 TWNHOIGCMBQFKA-ZJOBFFGXSA-N 467.364 0.987 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801996000 YQPRCHYKKNKTNI-FCQWJQKHSA-N 450.499 0.817 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810333634 MSXLMXGYYMOQKI-PGRDOPGGSA-N 476.537 0.989 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815672212 DHMWYEVLKRASLG-NVXWUHKLSA-N 468.580 0.933 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1826896693 ULBIGEDOKOOUSG-HXUWFJFHSA-N 451.612 0.175 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1828029486 XAOSJIVDNAVODY-GFCCVEGCSA-N 491.493 0.446 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC(=O)NC)C2)C1 1828579921 JSQGBQOHRLNSAZ-KBMIEXCESA-N 484.553 0.613 30 20 JCED CS(=O)(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1828909678 JIQBVEDHTFWEKV-NRFANRHFSA-N 462.528 0.397 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1829769977 AIVCMNPABZYISH-FBQMEGEOSA-N 485.463 0.367 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3C)C2)C1 1829773760 ULDKYNDBYWPCNN-UTBBOMKLSA-N 485.537 0.710 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1829908749 KEZGAZYKOVBIMH-QFIPXVFZSA-N 488.591 0.417 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCOC2=O)CCO3)c(C#N)c1 1831020490 VXEWRLJBLQUCLZ-QHCPKHFHSA-N 472.498 0.018 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)CC2=O)c1 1831207455 LRVWVPJDNHYBOL-FNZWTVRRSA-N 481.549 0.918 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209675 SQPJCDCCRSWAHI-JOCHJYFZSA-N 461.540 0.110 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1831387858 RVRFDELEJCDAMH-KOSHJBKYSA-N 471.510 0.479 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)CC)C2)C1 1831999846 DNULFKFJHVKZOS-AOMKIAJQSA-N 453.536 0.891 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1832455949 DLRFWDFGQWRUSM-QHCPKHFHSA-N 474.583 0.716 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832497805 RDJNFUYJCVLLFX-HOJHWTSUSA-N 469.494 0.995 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(F)nc3)CCO2)C1 1832831746 PJICIUQXKHFSDN-HSZRJFAPSA-N 461.538 0.892 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnn4cccnc34)CC2)CC1 1833075049 MFFPRWHAXFHCHZ-PLNGDYQASA-N 465.558 0.773 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833207976 IOHGXBLUFLOLAC-IHSVQVTCSA-N 467.910 0.729 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833278481 AKCDQFZMUYTELA-HSZRJFAPSA-N 452.467 0.341 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1833470321 OOAFCMRGSYNRHI-OAQYLSRUSA-N 452.596 0.692 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834396918 RTZQTJMXSXKTLT-VGSWGCGISA-N 455.559 0.651 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834401401 HUXACMGQPATDRX-UZUQRXQVSA-N 475.546 0.407 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835362671 REGSZEGHBSRWHO-OKPAFVPDSA-N 492.573 0.505 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1835645152 VCJSIFLJISDJCF-HXUWFJFHSA-N 468.551 0.132 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)c1 1835703501 VMTNSRFQGGLVTG-QPPBQGQZSA-N 465.510 0.732 30 20 JCED CC(C)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(C)C 1835897842 HFTGGYYFILLEJF-CLCDBWRRSA-N 468.595 0.994 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CCO2 1836634392 DUGQFUFHOSHZCF-GLDPYIMESA-N 479.574 0.738 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCc2nc(N)n[nH]2)CCO3)cc1 1837268692 MNUQZBDXZPRSAE-QHCPKHFHSA-N 467.530 0.280 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1837305793 JUVOEDWFOYMBQP-AOMKIAJQSA-N 456.503 0.256 30 20 JCED Cc1nn2cc(CC(=O)N3CCOC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)nc2s1 1837559723 CSEGNSMQNMYXEN-CSOJOJLQSA-N 486.554 0.810 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CSCSC1)CCO2 1837567732 VIIHNCHOEJHIBS-YANDHHFUSA-N 484.644 0.344 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1)c1ccccc1 1837614595 RRXRRCTWERDASB-OFNKIYASSA-N 452.515 0.327 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)n1 1837657470 ZPLUPPCWCNXWHS-SANMLTNESA-N 478.549 0.795 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-c3cnccn3)c1)CCO2 1838592510 BQUDUQKGGGWTQU-QHCPKHFHSA-N 450.451 0.302 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)CCO2)C1 1839036105 QPYRISMNVIGGRJ-RHGYRFJNSA-N 475.517 0.439 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2)C(F)(F)F 1839084474 DOLPMHWTCNAXQG-QINHECLXSA-N 459.465 0.962 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839379117 UMTXIOSBXJXWQS-FDDCHVKYSA-N 455.515 0.928 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1)c1ccccc1 1839703360 DYBQOWOFHUWVRV-NBGIEHNGSA-N 485.537 0.183 30 20 JCED O=Cc1ccccc1-c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839711891 HTLLLTNWOWDKNG-RUZDIDTESA-N 477.473 0.719 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)CCO3)C2)CC1 1839726914 NKCCVEAGVNJXCI-WATLYSKOSA-N 468.554 0.382 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3noc4c3C[C@H](NC(=O)OC(C)(C)C)CC4)C2)C1 1839808419 ZSXYQIITIANDCB-VOIUYBSRSA-N 488.541 0.760 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840010775 KGKQLBAAUURYJI-XZWCOCNFSA-N 491.585 0.738 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840108632 MKCSNSPEZYJFRZ-UZUQRXQVSA-N 479.530 0.224 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1840164539 NDUMLAUWYDVKBZ-SNCIRPARSA-N 499.630 0.520 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816245 UHVGLPKNBVNRTC-MHECFPHRSA-N 454.527 0.955 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818193 PWKYDHJRPAIXAT-NRFANRHFSA-N 472.527 0.600 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818641 NBEFYKGQYXQEPW-DEOSSOPVSA-N 472.542 0.556 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1840915514 LRCUJGQCSBYZRX-GAJHUEQPSA-N 480.562 0.015 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1841224225 WYVSVFSQWYFHCS-YZFOJRJHSA-N 455.559 0.841 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1841600521 FASKNGKXVRGAME-MSOLQXFVSA-N 492.621 0.775 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C1 1842872101 CEGIBLNONONTCX-IAGOWNOFSA-N 478.594 0.385 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1ccnc1)C2 1844215600 XYLAJMDXZKCIMH-QGZVFWFLSA-N 490.561 0.892 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C1 1847044202 KRHDYXHCOIUKPI-CVEARBPZSA-N 451.520 0.685 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848033704 DTSRLGCYTIACSJ-JYJNAYRXSA-N 463.535 0.600 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 500496053 JVQYMUFJMVSRTQ-UHFFFAOYSA-N 460.516 0.269 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cc1 501173402 JNDFSBKTDQWPFO-UHFFFAOYSA-N 471.579 0.953 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 501761247 CMYKMAZUTSBFMZ-UHFFFAOYSA-N 470.507 0.897 30 20 JCED COc1ccccc1-n1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccnn2C)c1=O 502007321 WBZZWBIAXQUVFJ-MRXNPFEDSA-N 465.535 0.439 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 502545492 JHGHYHIMMCCCPB-IBGZPJMESA-N 450.561 0.832 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 502554456 ZPZWTXJIVCTYKH-UHFFFAOYSA-N 480.587 0.981 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1C1CCN(C)CC1 516827761 BAUKQNHMKJSGMB-UHFFFAOYSA-N 482.562 0.719 30 20 JCED Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1S(=O)(=O)NCC#N 518687748 BTVXKIABHRXNLF-UHFFFAOYSA-N 487.563 0.815 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)C1=O 522250453 WGIGUOZOCJXXSC-UHFFFAOYSA-N 457.487 0.275 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cnn(CC)c1 523183171 VQTGQPMVTKMOHO-UHFFFAOYSA-N 483.575 0.324 30 20 JCED C[C@@]1(c2ccc(CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2)NC(=O)NC1=O 523930299 UVNCDAZFWQUETN-QHCPKHFHSA-N 496.549 0.829 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc3c2OCCO3)c1=O 603988923 MBQNUJPJQNJYCV-UHFFFAOYSA-N 484.578 0.042 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCCC(=O)OC)c2=O)c1 603994668 CDAHVGAKMAHGES-UHFFFAOYSA-N 485.562 0.624 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)(C)CN(C)C)c2=O)c1 608912463 NWNRETYPPYKDGW-UHFFFAOYSA-N 484.622 0.868 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)CC1 728532799 KIRHNKADPLGJTO-UHFFFAOYSA-N 454.980 0.876 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)CC1 728570493 CXTFMSCWGLVXDT-UHFFFAOYSA-N 482.448 0.522 30 20 JCED CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 729673250 VFXKDZIIXVFXHY-UHFFFAOYSA-N 489.619 0.867 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCS(C)(=O)=O 730801809 MORUPWPEIUJNRO-UHFFFAOYSA-N 469.535 0.508 30 20 JCED CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 743433761 JPVYTJMTJWJTKX-WGCOJADFSA-N 463.560 0.813 30 20 JCED CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 749724161 ALEVLZVLSUULFB-QGZVFWFLSA-N 451.501 0.980 30 20 JCED CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 916705663 QHGUMGUWXIDPEE-QQTULTPQSA-N 478.619 0.582 30 20 JCED CCN1CCN(CCCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918270333 JNVQUDCTRIIHTL-YYADALCUSA-N 492.646 0.972 30 20 JCED CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1)S(C)(=O)=O 1295811126 SSTUMKOJOSJOOC-UHFFFAOYSA-N 474.591 0.950 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359076678 JKYGMQRDDGGHET-KBPBESRZSA-N 491.412 0.625 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 1503679517 QXJMWWXFVDJPQA-AVRDEDQJSA-N 473.603 0.649 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2COCCO2)cc1 1505318739 LVARRLJTHAXUME-LJQANCHMSA-N 456.503 0.615 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 1519530401 NDZLWSOFMBRFSA-DLBZAZTESA-N 470.621 0.592 30 20 JCED CC(C)N(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1607904240 OGYXDEFIVTVCFH-LPHOPBHVSA-N 457.576 0.783 30 20 JCED CC(C)N(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1607904241 OGYXDEFIVTVCFH-QFBILLFUSA-N 457.576 0.783 30 20 JCED N#Cc1cc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)ccc1Br 1666285043 PYURTOFMISMMMI-UHFFFAOYSA-N 457.350 0.486 30 20 JCED C[C@H]1OCC[C@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCNS(C)(=O)=O)CCO2 1708280776 XNZBZMSGJQXEGR-IERDGZPVSA-N 476.559 0.662 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1=O 1730799572 RCCOSCOJFNAARX-JOCHJYFZSA-N 456.503 0.175 30 20 JCED C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1740802924 RKMGBTLTUPKXIJ-GOSISDBHSA-N 498.631 0.310 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1751206257 ROFXJAADBOIHRY-NCOADZHNSA-N 481.602 0.973 30 20 JCED CN1CC(C(=O)N2CCO[C@]3(CCN(C(=O)C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)C3)C2)C1 1781170218 XFPQBRCVXOEZMP-XMMPIXPASA-N 475.590 0.919 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1781188330 RHFZWFUGKVGFHT-KSEXMQBYSA-N 472.498 0.834 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1781268032 GOXUBXJOSICFBD-JOCHJYFZSA-N 479.555 0.579 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1782604546 SFOISQMQYFPBQY-WGULIFDRSA-N 451.527 0.441 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1783136209 SWGLEDOVJTVTGC-HYBUGGRVSA-N 465.510 0.708 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557084 GVEZKKQFVAVBDJ-MHECFPHRSA-N 486.525 0.435 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783601585 ZXFYJISPCWLIOZ-HXOBKFHXSA-N 463.531 0.686 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1783897063 HKHBWZCBPPEJTL-STXHMFSFSA-N 493.648 0.463 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1784506127 HXBIJAZGMSQBFP-JZCOGDJRSA-N 481.590 0.785 30 20 JCED Cc1ncc(Br)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1785588390 QJDFWSAEPHWJOW-RCBQFDQVSA-N 450.289 0.834 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788706025 CSDYUJYTVWAKOV-SDIJGJKUSA-N 471.562 0.046 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1789956416 KCGYKIQCRDEOQV-DRMAHVMPSA-N 495.540 0.965 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)CO3)C[C@@H]21 1790792913 CACBKRKFJWCTGT-LUKYLMHMSA-N 471.501 0.871 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)OC(=O)NC(C)C)C2 1792489829 XYNVXSVSTHZUML-ARNAYVAQSA-N 450.536 0.348 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793089124 HSPDOPYPGPUGBS-NBMJBFSESA-N 491.589 0.436 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1793313636 ABWNLWYZIIGDFR-LJGDNWOOSA-N 468.963 0.743 30 20 JCED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1793364038 HNFHPLAQIRMLRO-KAFXUVKVSA-N 452.554 0.983 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)[C@@H](C)CC 1793402383 JGDYEABAXVPFMP-XEZGLNCPSA-N 451.564 0.900 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)c1 1794112327 PWPNJRBZGASCQC-DFYYWFRZSA-N 463.494 0.768 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2 1796392981 SXQMBZIUKDDQOB-UYTYNIKBSA-N 470.567 0.917 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C2 1797708458 ZTPGNLHRZFOFRK-SHJAMOMRSA-N 464.584 0.795 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)Cn2cncn2)c(C#N)c1 1797899885 WNXGSDPHNUEGPX-HCBXPFHNSA-N 452.515 0.627 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](COC)NC(C)=O)c(O)n1 1797965185 MCGOWCOFOUQVEF-WOUAJJJCSA-N 460.531 0.260 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)ccn2C)c(C#N)c1 1798529383 GAJSQRUSAKDHHM-FEJSZKPUSA-N 450.495 0.711 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)C1 1799197384 YTXKWXWVGUFQRL-BPKGMFCQSA-N 450.536 0.354 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C2 1799396414 SSEIPGVOQQCVBL-WERVVEIQSA-N 495.621 0.930 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)COC(=O)C(F)(F)F)C4)c2c1 1799884394 VCTUXVFUFYMFNW-DRXBFXEBSA-N 465.388 0.743 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H](O)CN2)CC1 1799920893 IXGFXCGKFOXUTN-PJVZLEMVSA-N 475.590 0.888 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2COC[C@H]21 1801604926 XCJFWNSYCIUCIP-ZRZJEBPGSA-N 461.559 0.938 30 20 JCED CN(C)C(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c1 1801913857 MJXQIUQNIBYUQJ-ACDBMABISA-N 455.559 0.873 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1801995652 GODCFOKSMVSWKJ-VPTLXERWSA-N 474.473 0.975 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)o1)C2 1802125699 OCFGAXVTYZOGKW-HIRMHNASSA-N 461.515 0.892 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1802127476 HSQDCDDIFSXPIL-VQQMMKBISA-N 496.568 0.778 30 20 JCED CC(C)C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)N(C)C(=O)OC(C)(C)C 1802158672 OAINCSVMJPPRPM-AXVVYFOYSA-N 465.547 0.946 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1803567093 KODSLSCOMVIREE-QIIPPGSGSA-N 452.475 0.118 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1805274054 CFIRYZFWLJHMFW-TXULOHPCSA-N 497.614 0.968 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNC(=O)c2cc(C)on2)[C@H]1c1cccnc1 1810375245 WSGQBMOFQHYFDI-HGHGUNKESA-N 453.499 0.852 30 20 JCED C=CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812443350 JZJNAPCJWKFNTO-BMQTXXJKSA-N 471.583 0.844 30 20 JCED N#CCCC(=O)N1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812443368 LBMWZHQRLHVGRC-BMQTXXJKSA-N 484.582 0.571 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]3c3cccnc3)c2c1 1812717152 NCLXUIQNIZUPLZ-NTKDMRAZSA-N 491.552 0.436 30 20 JCED C#CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1815195735 ZUYFCUSMJRZKKE-RDJZCZTQSA-N 451.549 0.171 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819887767 WRMPVCCFDTXENL-MGPUTAFESA-N 462.572 0.404 30 20 JCED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1)C(F)(F)F 1821992041 QHSFHXZDTNBOJJ-NSHDSACASA-N 451.369 0.960 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1824108205 CVFZCRRXAQFBSD-DLBZAZTESA-N 451.520 0.580 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803702 HNCVKXXOOVVGTR-YKBPCDFTSA-N 474.495 0.860 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)COCCO)C2)C1 1828580863 XCZOEPHMQNDDGK-CJFMBICVSA-N 487.553 0.486 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCN2C(=O)OCc1ccccc1 1828930813 PYRSCXVHXKJAQZ-DEOSSOPVSA-N 469.542 0.684 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1829123186 DSIKCZCUTQSRNC-KOSHJBKYSA-N 475.542 0.322 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829137323 HWUPCDBNEVWQPS-AVRWGWEMSA-N 496.520 0.217 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 1829769538 YOEVLVCBNSVTSJ-KWQGRVAKSA-N 479.537 0.801 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)O2)C1 1829848102 YUFBKKBYAJSJOY-SBUREZEXSA-N 478.546 0.525 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1830054257 JAKXHRJAFMLVDQ-HXUWFJFHSA-N 450.517 0.105 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCc4ccccc4[C@H]3O)CCO2)C1 1830819127 MKUHXFXWIXGBKC-WYGBCJSASA-N 456.539 0.777 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NC(C)=O)CCO3)c(O)n1 1831471769 WHCIIJZHFBRDOI-DEOSSOPVSA-N 474.558 0.891 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NC(C)=O)CCO3)c1 1831475165 GVZWNOZWLJDLJR-QHCPKHFHSA-N 458.515 0.552 30 20 JCED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CCC1=O 1832379924 HDMZRJKLRALGJS-HSZRJFAPSA-N 453.499 0.431 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832946557 LAUFQNJNWRUCQE-YADARESESA-N 489.573 0.715 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833452117 XKLQLTRHAAEHBN-LWJGVMBGSA-N 484.667 0.358 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1833725484 IDZKBALETFUSRX-KBMIEXCESA-N 485.585 0.690 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)c1 1833828269 WNOLNEUQLDSLLU-HSZRJFAPSA-N 451.483 0.757 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834196692 RXHMPIVCUSKDMR-XDHUDOTRSA-N 488.541 0.774 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834560665 OFCNIRXVIDHTEP-HSZRJFAPSA-N 459.547 0.689 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(O)cn5)CCO4)C3)c2c1 1834589909 GIXJCTYZUSHDJT-HSZRJFAPSA-N 462.466 0.919 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835208351 HGJVJJVWPDANGJ-HTAPYJJXSA-N 455.552 0.901 30 20 JCED C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1835528458 FDWOQFILCYLDFS-HOYKHHGWSA-N 493.605 0.578 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835536660 QUPWXRYFBPTEOH-MBKAAHDRSA-N 466.579 0.507 30 20 JCED O=C(/C=C\C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)NC1CC1 1835659767 VEATYBNFDCBISX-BBAMKPMESA-N 458.607 0.865 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1835677339 OHKNITIWAQYRRM-RUZDIDTESA-N 496.568 0.518 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)C(=O)O 1835763162 GVAMYNVTIQWJBH-UWJYYQICSA-N 464.906 0.344 30 20 JCED Nc1n[nH]c(CCC(=O)N2CCC(N3CCC(NC(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)n1 1835768921 GZUWVEBZYIDTSD-MNQDVBFDSA-N 476.582 0.420 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4sc(N)nc4c3)CCO2)C1 1835783267 AQLDMYMJYFXIRJ-OYHNWAKOSA-N 458.540 0.987 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835918142 FUWCOBZMTWAWHE-QFIPXVFZSA-N 458.519 0.480 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3I)CC2)CC1 1835924964 WPDWWMUAZLKOFY-UHFFFAOYSA-N 499.309 0.288 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836362208 PGFZJTFOYIBUBC-HBMCJLEFSA-N 491.633 0.197 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836381110 ZFBNPGPWRPNOGX-HXUWFJFHSA-N 487.525 0.908 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836888450 BFEWKESBARWNLK-NYNQOQISSA-N 452.471 0.511 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1837311636 IZBIVTRHGBIGRG-MBSDFSHPSA-N 474.514 0.981 30 20 JCED CC(C)n1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837491710 WCJTZGFLSWLHDY-QHCPKHFHSA-N 459.547 0.628 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837528313 GBYKINGTOHNYIR-KDOJCWGASA-N 472.502 0.328 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1837529838 ZQGBJTRLJRBTFZ-UYAPEEHZSA-N 471.514 0.933 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837674324 FHIHSMMGLUWZSE-ZOFPFIKPSA-N 451.568 0.219 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5n[nH]cc5[N+](=O)[O-])CCO4)C3)c2c1 1837797629 ZDDVFXAODBYWFG-NRFANRHFSA-N 480.441 0.450 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)c1 1838584644 CAKWJFQUUKLWMD-DEOSSOPVSA-N 481.509 0.765 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826818 ANWAAGYGDCVXOW-XXVAPRDTSA-N 465.463 0.522 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2)C(F)(F)F 1839109115 YIRRCZNTINIHRR-IBGZPJMESA-N 460.497 0.341 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCN(C)CC4)C3)C2)c(C#N)c1 1839131922 IGWHFLMPEWOXOY-SANMLTNESA-N 499.612 0.203 30 20 JCED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1839163788 GGNRKONQDADVIY-VLIAUNLRSA-N 468.432 0.782 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1839225557 MWCYSHKPSOXOLK-KOSHJBKYSA-N 485.541 0.874 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452613 MRPSEMGQAHAXFA-QPPBQGQZSA-N 487.509 0.432 30 20 JCED CN1N=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)CCC1=O 1839487560 NKIGFTYJOUJIBQ-QHCPKHFHSA-N 479.497 0.113 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839577313 QDQBPYCUPCHOIP-NYHFZMIOSA-N 474.539 0.234 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1C(=O)N(Cc1cccs1)CC3)CCO2 1839620695 QYBYKCYJRUWUMV-HSZRJFAPSA-N 483.550 0.304 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCN(C(=O)OC(C)(C)C)C4)C2)C1 1839810476 YYCGVWYKYLPFNL-XMMPIXPASA-N 487.557 0.417 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(F)c(F)ccc4c3)C2)C1 1840044285 BKZBAKVANGZRGL-QFIPXVFZSA-N 459.405 0.671 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840164389 HVVQBHVGJRHLAN-RVHYNSKXSA-N 473.592 0.133 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840164768 QCJXMKXVCCNJGT-HKARXFIJSA-N 499.630 0.787 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)n1cncn1 1840415195 VKGXTJIPAVKORJ-MBSDFSHPSA-N 452.515 0.800 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840909106 MYGMZAZNMMBKFS-KOSHJBKYSA-N 485.541 0.873 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CS(C)(=O)=O)C1 1841620986 WHPHGIPBPTYHJT-CVEARBPZSA-N 455.577 0.787 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C1 1845123679 LMPJCWVHAZUSIE-ROUUACIJSA-N 478.590 0.990 30 20 JCED CN(CC(=O)N1CCCC12CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2)C(=O)C(=O)O 1845810398 ORZLAVKXJIKAAN-UHFFFAOYSA-N 452.389 0.937 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 29349603 WKMBIRLQRRJILC-UHFFFAOYSA-N 462.509 0.584 30 20 JCED CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 483164837 QBBQVAUZYMODHY-UHFFFAOYSA-N 490.563 0.574 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(F)c2F)c1=O 518066780 CWORSGONLYUNDM-ZDUSSCGKSA-N 451.495 0.879 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCc1cccnc1 609038465 PEOIVPARMXSVTA-UHFFFAOYSA-N 490.541 0.638 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 609220420 YOOFDTUZPIZGAB-UHFFFAOYSA-N 471.579 0.925 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)COC(=O)c3ccc(C#C)nc3)CC2)cn1 729031096 VMPLGDWSJDXRBT-UHFFFAOYSA-N 460.446 0.124 30 20 JCED CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 913243593 YASPYKAZYHAVDP-IEBWSBKVSA-N 471.557 0.098 30 20 JCED CCN1CCN(CCCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918270372 KQAWJBCOJMDFGE-QLYXXIJNSA-N 492.646 0.972 30 20 JCED CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1=O 1287778598 SPLVGHIKDMAMOQ-UHFFFAOYSA-N 481.557 0.892 30 20 JCED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 1618468468 ZTZXIARSAFVIHH-KNQAVFIVSA-N 474.587 0.809 30 20 JCED CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1743909075 RHULMVHXJCHGPV-KRWDZBQOSA-N 473.603 0.898 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1746461137 YYJIJMIBJRPSPI-ZWOKBUDYSA-N 470.619 0.604 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)c1ccccc1 1750077533 WKLIZUNXRMTXRI-SJLPKXTDSA-N 496.615 0.681 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1765597901 JEGDHODRCYQLBE-MRXNPFEDSA-N 467.596 0.513 30 20 JCED COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1768585530 RUCUXXAQQRZKAK-NQIIRXRSSA-N 461.544 0.350 30 20 JCED COC1CCN(C(C)(C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1770614919 SXHGZBKOKMIDLW-NVXWUHKLSA-N 469.612 0.506 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777832087 NTNZJZMESFGFQF-QMHKHESXSA-N 483.529 0.484 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)CC1 1778355519 IIYOXOGYTIZLRI-OIUIXCLQSA-N 474.583 0.481 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1778788453 ZLNYXFSSWOJUNL-UGKGYDQZSA-N 460.487 0.004 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778892813 MWWSWKAWUDLPKX-NXLSOHMPSA-N 451.398 0.451 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779419858 JQFSLJBVRLZSQD-VSXYPZELSA-N 473.592 0.710 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1781270510 MZWSWHUURGOLJK-NRFANRHFSA-N 460.512 0.709 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CC1 1781790346 SDNAUFMQFJBCCH-DEOSSOPVSA-N 453.543 0.360 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782194885 KPJCLIUDGXNPQR-CVDCTZTESA-N 483.481 0.373 30 20 JCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(C#N)cc2)C3)c(=O)nc1O 1783115981 BTLUPUZARXYAOA-NTKDMRAZSA-N 465.510 0.957 30 20 JCED COc1ccc(/C=C/C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(OC)c1OC 1783558197 PSWTXVWAUJCSMO-NKOINVLESA-N 458.467 0.644 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1)C(C)(C)S 1783781381 GZWCDHQKCWFPPG-YGHRGLEHSA-N 484.619 0.554 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)[C@]34CCN(C(=O)OC(C)(C)C)C4)CCO2)C1 1783901240 WTNQNLHKGDQBTC-GZVBHOEUSA-N 496.630 0.508 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(C)=O)C[C@@H]21 1784784489 PIFRCUKNTZMUQR-OKYOBFRVSA-N 466.579 0.962 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4C(=O)OCc4ccccc4)C3)C2)CC1 1785428756 JYJFGZPQHOMWCW-ZYLNGJIFSA-N 482.537 0.892 30 20 JCED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(N5CCCNC(=O)C5)n4)[C@H]3C2)C1 1785783905 KQZMFWXEZNMZHQ-CUWPLCDZSA-N 467.570 0.967 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786362080 JAQLLHBSOHZBHU-VRGKNRPHSA-N 470.592 0.542 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3C2)c(O)n1 1786887252 WJEANCFSNHHGOI-FZDIXFNVSA-N 459.547 0.092 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787496481 XJQGJMBCPUUNRU-VBYAKVLXSA-N 481.575 0.298 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=S)NC)[C@H]2C1 1788611999 GGRFTRKHYZXKAS-XSLAGTTESA-N 497.662 0.920 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789094481 RFJBGILIJVYOQQ-BQFCYCMXSA-N 464.482 0.119 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1789838731 NZJMWCMMZQXSKP-HVTWWXFQSA-N 490.601 0.799 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1789949409 OHAMSPPGDYTJMQ-UFYCRDLUSA-N 467.563 0.356 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)[C@H]2C1 1790667169 JBMJLOMNONURSP-LSBAASHUSA-N 497.640 0.883 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)[C@H]2C1 1791102776 VLWJLOMNERGIBS-QAETUUGQSA-N 453.536 0.999 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NS(=O)(=O)CC)c(O)n1 1793310661 ULXGLFLUUKOWLU-GGXPGOJBSA-N 480.587 0.437 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)c(C#N)c1 1793613496 ZKPQDRXBSYLJRL-MRSFGVLCSA-N 466.494 0.014 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1794155020 DOVZTNWPECVJAT-DOHHPOSVSA-N 491.566 0.862 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795599506 OIZNIXJDUSSEFB-APAFKAMOSA-N 493.605 0.086 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1)NC(=O)OC(C)(C)C 1795893643 HTCUPKYQQKYAAT-AXVVYFOYSA-N 462.551 0.727 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795930913 MRPSPNDHWXATAU-ZSBFGKGUSA-N 452.533 0.024 30 20 JCED CC(C)(C)OC(=O)N1CCC(CNCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)CC1 1796077138 BTEPHTFCASBRNQ-REPLKXPHSA-N 476.574 0.949 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797103684 NWXDAHZJMCOHOT-LTCOOKNTSA-N 480.525 0.347 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1797709835 DLPKBFMPGWHUIE-NLPMXTIOSA-N 488.585 0.785 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1797818614 VUCGNTUMXJGSPW-GQRODGCISA-N 472.542 0.925 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1799320770 QCVAQCOTJNLIQY-QEOTZNIISA-N 466.535 0.544 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1799391962 XJKKRYVXGBAHSB-GGXPGOJBSA-N 455.515 0.938 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1C(=O)N(Cc1cccs1)CC2 1800123715 DDYBGDSJCSVVQL-CCWDJLKJSA-N 453.524 0.437 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1800824008 SCOVZCVGJCVSFX-AINOVGTFSA-N 457.527 0.924 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C)C1 1801558659 WWIZSOWQMXWHIL-RDGPPVDQSA-N 450.580 0.997 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(=O)oc1)C2 1802125396 WGHBILBUIOBVLH-ZMMAXQRCSA-N 459.499 0.760 30 20 JCED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)cc1 1802576790 XMPDJPJFNCNOAI-XXBNENTESA-N 460.494 0.754 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CSCC(=O)OC)[C@H]1c1cccnc1 1803574310 OVARBJHWAPXVLI-GUEKAFECSA-N 460.556 0.852 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812872031 APLSQTDPTKCOIE-XHBDVGQISA-N 478.505 0.355 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1813175455 RNOXNOHQPXJHBN-DVECYGJZSA-N 464.522 0.711 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)CC2 1819707619 YXXSDZAAIOITTL-XUJVJEKNSA-N 458.606 0.956 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCN2C(=O)OCc1ccccc1 1829261537 SSPXVPOFYAXECV-WMZHIEFXSA-N 488.566 0.929 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1829267246 MNBKPWOEXIVHSX-JOCHJYFZSA-N 468.539 0.982 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1829764723 TUVGIQGVHGKFKJ-UTBBOMKLSA-N 498.536 0.299 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1829770378 MIHHANCVGQTRAY-BNOLWBGWSA-N 478.933 0.429 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898910 NATNDGRGAGGVAT-JTSKRJEESA-N 463.556 0.238 30 20 JCED O=C(O)CSCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830470335 SUXZWIWMVFTXCQ-OAQYLSRUSA-N 466.943 0.966 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1830638293 LLGQQYFTZOPMAW-JOCHJYFZSA-N 478.571 0.677 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2)C1 1831133084 PLCCLJXXUURXJO-YADARESESA-N 497.589 0.413 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CC1 1831209580 XTWBZDLZOIEAOJ-DEOSSOPVSA-N 491.585 0.618 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831675591 UNUSXHZKUSBXPL-IRXDYDNUSA-N 478.546 0.463 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)CCO2 1832013990 OTEAKTAXPWXICY-KHCICDEESA-N 480.558 0.932 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN(C)C(C)=O)CCO3)C2)c(O)n1 1832285275 MBYQVGQVSWRGBM-XMMPIXPASA-N 474.558 0.844 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832497810 RDJNFUYJCVLLFX-UDDIYGBUSA-N 469.494 0.995 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1833451258 FCTHUEHGAARCSB-QGZVFWFLSA-N 486.635 0.395 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3CCOCC3)CCO4)c2c1 1835192222 VHXFHXVRCDRMSO-HSZRJFAPSA-N 453.499 0.931 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835363017 ZNHRNXCNSIOYSC-MUCNXURCSA-N 462.547 0.859 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCCC2=O)CCO3)c(C#N)c1 1835411632 IQHOUSWZUUXNNL-DEOSSOPVSA-N 470.526 0.188 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835708116 DAIOIVABOFZMQI-QGZVFWFLSA-N 463.627 0.547 30 20 JCED Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1836066439 VCYBWSNDVGGZTL-QHCPKHFHSA-N 453.499 0.370 30 20 JCED CC(C)(C)OC(=O)N1CCc2onc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)c2C1 1836773064 PXQASPILUGTYDW-QHCPKHFHSA-N 489.529 0.951 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837080784 ZMRGFFBWXUOVPN-HSZRJFAPSA-N 456.499 0.914 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837156440 AQXQCNBJJHCAQR-QHCPKHFHSA-N 454.531 0.686 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc4ncnn4c2)CCO3)cc1 1837163922 PCDXEFUMELMLIK-DEOSSOPVSA-N 460.494 0.914 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)ccc1Br 1837366464 WJFZGKDOJRLYBQ-HXUWFJFHSA-N 490.314 0.267 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837379817 HDJUORMXGDQHSE-IVZQSRNASA-N 461.494 0.475 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1837400615 IMLKTLJMVDKNPL-YDLHNXBPSA-N 463.575 0.417 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837629936 UODAQEZLIPQULO-PBPYGMEZSA-N 475.502 0.006 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1837661585 BGRUGTJAXDTFRZ-QHCPKHFHSA-N 459.547 0.689 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c1 1838503395 SSDWLSSAKOAQJS-VWLOTQADSA-N 488.504 0.653 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839133079 ZNRQVAUPOSACMM-QHCPKHFHSA-N 489.598 0.050 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839223279 RGAWHUWKXZDNQG-JTSKRJEESA-N 463.535 0.392 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839227757 XORIOCUOMYCBLJ-OSTGQTKBSA-N 454.524 0.773 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c1 1839420540 OQFHNEINENJSIJ-HXUWFJFHSA-N 458.406 0.712 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2cncn2)CCO3)c(O)n1 1840416834 YFKUDPYZDKIGPC-HXOBKFHXSA-N 470.530 0.829 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)c(O)n1 1840475074 MQGPFKFCAJBNGX-KSFYIVLOSA-N 471.518 0.224 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1)NC(=O)OC(C)(C)C 1840795322 BEOUOZQCYYYNEK-AOMKIAJQSA-N 499.634 0.929 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1841745919 UIPMSPFKGLOHHL-HOTGVXAUSA-N 472.608 0.987 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842058834 HIIFFSSIQBRTNL-MYGCFAEVSA-N 459.503 0.725 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130355 OLLSTQPCSIKHQA-YSNFCQRUSA-N 451.505 0.184 30 20 JCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 18587929 QFVDHLHORHUILX-HNNXBMFYSA-N 474.539 0.734 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)c1=O 25521363 VPSREYGKDYWVSM-UHFFFAOYSA-N 491.570 0.521 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 506968426 KNVJAUCIFAAGLO-LSDHHAIUSA-N 473.511 0.490 30 20 JCED C=CCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](C)c1cccc(-n2cnnn2)c1 518232170 RGOSRJIMOPFVAX-OAHLLOKOSA-N 463.502 0.575 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc([N+](=O)[O-])ccc3OC(F)F)c2=O)cn1 523579735 DLGMOKFKCRHEBC-UHFFFAOYSA-N 490.448 0.874 30 20 JCED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 603890742 OCYYYZGNKSXDKD-ZDUSSCGKSA-N 488.360 0.860 30 20 JCED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434348 BPKHDIIRIHYNIL-UHFFFAOYSA-N 456.480 0.803 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O 608911929 VXJAAVBXVQUOKS-UHFFFAOYSA-N 463.357 0.577 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(=O)N(C)C 609075003 ZXCXUZKCEBJURC-UHFFFAOYSA-N 482.484 0.924 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C)s3)c(=O)n2CCc2ccccn2)CC1 726182583 XREFHGQCFUJDRG-UHFFFAOYSA-N 494.646 0.980 30 20 JCED C[C@@H](OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CCC#N 728721691 WHIDUOAMEFJDDH-RISCZKNCSA-N 462.322 0.392 30 20 JCED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)CC1 729055392 BINMMGCUAIOBLE-UHFFFAOYSA-N 491.552 0.536 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2nnnn2-c2ccccc2)CC1 730776841 QEWWIBROPYPYLX-UHFFFAOYSA-N 494.581 0.825 30 20 JCED C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)c1 731130838 ZLOZUZFVFFKGDI-AWEZNQCLSA-N 458.496 0.689 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCS(=O)(=O)N2CCOCC2)c1 748104432 JMCCHUUUMQTQFY-FXBPSFAMSA-N 473.577 0.283 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CN2CCCCCC2=O)CC1 749416420 QEHZZDWCHDFGQW-UHFFFAOYSA-N 462.528 0.337 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc3c(c2)OCCO3)c1=O 797655857 YEPUVPWHEVNTPN-UHFFFAOYSA-N 477.546 0.802 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 811833670 MMGOXFSRFRTHHG-GDBMZVCRSA-N 456.542 0.179 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 918817138 JNZRYYHWMLAFSC-UHFFFAOYSA-N 484.534 0.801 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CS(=O)(=O)C2CCCC2)CC1 919275277 BMFJSQFYEXMUBN-UHFFFAOYSA-N 483.568 0.292 30 20 JCED COc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1S(=O)(=O)N(C)C 1127230220 RUKSVSCZWPTHHU-UHFFFAOYSA-N 452.514 0.623 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1302474794 OCBRSBOQAVWQRS-UHFFFAOYSA-N 487.586 0.537 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359084982 XVDIKSZGWMDREU-KFWWJZLASA-N 494.412 0.760 30 20 JCED C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539772672 LUFJAGZWJFEOIR-UHFFFAOYSA-N 474.953 0.659 30 20 JCED CCCN(CC)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1547121311 PPMALZPUABBBMO-IRXDYDNUSA-N 455.585 0.072 30 20 JCED COC[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555226523 JAFBTEAELKCKMF-JKSUJKDBSA-N 462.580 0.764 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCN2CCSCC2)C1 1698312596 ISXGXCFRAVWKTQ-SFHVURJKSA-N 483.664 0.790 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CCO1 1711368983 SDVVBSFLPQOEBV-GHTZIAJQSA-N 483.573 0.648 30 20 JCED CS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1750217620 OBVOBZWFWNFCCA-MRXNPFEDSA-N 476.538 0.116 30 20 JCED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1750386990 QPMXAPZDNDAJPO-AWEZNQCLSA-N 454.457 0.369 30 20 JCED CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cn1 1764931643 VERGFYLZVIOMFL-DOTOQJQBSA-N 462.580 0.907 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)CC1 1778114450 HKYMQLRMWIQEBI-HSZRJFAPSA-N 492.573 0.741 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)CC4)C2)C1 1778366072 HNOMNEZHNFKCFZ-QHCPKHFHSA-N 457.531 0.753 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1778740330 IRPOLRKOLQPWFC-BMCPXHGSSA-N 481.521 0.936 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)CCO2)C1 1778967320 FJEVXPIIWWPKKI-HOOSLVGPSA-N 479.574 0.968 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779322786 NASAUKUWZJERND-ADCHYERDSA-N 494.589 0.437 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779443030 YWVDBSLBLNRGIG-UXUIZLJCSA-N 477.514 0.707 30 20 JCED C[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)NC(=O)OC(C)(C)C 1782010360 PRNMBDJHHNXGIR-XCGNWRKASA-N 451.520 0.892 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CCO2)C1 1783888224 GHXFBIMLODICDH-IERDGZPVSA-N 475.608 0.693 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1784195211 SBOWUCDLJYJSFM-QAETUUGQSA-N 452.552 0.792 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C[C@@H]21 1784484004 NPZUHXQIFODZCE-DUSBTPNUSA-N 469.582 0.905 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1784784406 MBGIWBILUCBRJE-FJIDUMEYSA-N 452.552 0.572 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1785572751 PLBGQQYPKSCJLW-BXKMTCNYSA-N 487.557 0.747 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1785576688 LUTJJKLANKXMAB-HXOBKFHXSA-N 473.530 0.602 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1785594560 UXUSPRQBMFRCBB-UJUVCNOISA-N 460.535 0.728 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1ccc(N2CCOCC2)cn1 1785726979 IWWIUKXAPITJKZ-KUNNFBPESA-N 484.601 0.983 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OC)cn3)[C@H]2C1 1786243868 PCBDHFNISWPXJV-BMFAXAFESA-N 487.557 0.995 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C5(C#N)CC5)C[C@@H]43)CC2)CC1 1788224444 YDEAUCZIVVGWQR-PMVMPFDFSA-N 485.629 0.993 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc[nH]n4)C[C@@H]32)CC1 1789839787 IZICQNBAHKFFAY-ULQDDVLXSA-N 487.561 0.939 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789935421 IDSBRUPMGDZIDB-VMXHOPILSA-N 467.563 0.280 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072366 GIOOGUWNMWCXQM-MHORFTMASA-N 463.531 0.844 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C(C)(C)C 1791075734 SRENHTRGZWWEMV-IUVQAAGXSA-N 465.547 0.994 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)n4cnnn4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1791692304 OUROCBQTIQCKAC-BCYZHJNNSA-N 489.577 0.779 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccn3)C[C@@H]21 1792261769 PXLDLCYWGMTJEJ-FJIDUMEYSA-N 457.531 0.987 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(c3cccc(OC)c3)C1)C2 1792486855 XVXNAJVUQGWTDN-FKELBAMLSA-N 496.564 0.496 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn(C)c(C)c1Br)C2 1793344776 KJSBJQWBAPDMAR-HGTKMLMNSA-N 453.337 0.733 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1793819115 DUGOUUHSYDUBOP-FAQVEIGNSA-N 473.599 0.530 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795584811 XKOIMSZWGJSERM-CWQOZTLDSA-N 468.595 0.391 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2)[C@H]1SC(=N)NC1=O 1796421861 IJCFTOSJWKKVMG-GYGOWQKVSA-N 469.567 0.883 30 20 JCED CC(=O)Nc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)ccn1 1797812636 XUZLTZHPFUQHJP-PUZBOVKYSA-N 459.503 0.772 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C1=CCC=CC1 1797953188 RZJLAIKGRCBEML-HRQSHJORSA-N 473.526 0.834 30 20 JCED Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)n1 1799236616 SVZRWYSTZDNFJJ-BJWYYQGGSA-N 487.561 0.559 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1799389493 NDEFVTCQXWKQIH-DFBDCSAJSA-N 470.567 0.653 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(Cc1ccccc1)C(=O)OC 1800852131 JCCJHTRVXXKPAR-KMQSCTNJSA-N 457.527 0.883 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(C)C)c(C#N)c1 1801849305 XTUULOISFJYEMJ-IIZPIQPGSA-N 472.542 0.700 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C)C2 1802125601 JJNYDRJHCQMJGG-SFNKJDCFSA-N 457.531 0.905 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)(C)C)C2 1802126158 CNCBACVZFDEZIJ-ZMMAXQRCSA-N 450.580 0.881 30 20 JCED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1803555334 VYCRWBDBNDHTMF-XLIONFOSSA-N 454.464 0.795 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1804189149 ZFENUTKWXVOKCH-POHYDNSXSA-N 455.519 0.111 30 20 JCED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1806768459 KJGYDBWNMWJQKT-LOBTYPLBSA-N 452.533 0.661 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)c1 1816674284 OYMYWYWXYSIPEE-CYBMUJFWSA-N 475.494 0.989 30 20 JCED COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1820190424 CPTHTDHGGYCKFH-CRIHDISZSA-N 450.565 0.678 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1822928347 JKAQIDUIRXZTEH-NSHDSACASA-N 452.489 0.108 30 20 JCED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 1826033462 ZFAHSHRPATYMOK-ZDUSSCGKSA-N 483.554 0.306 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1828808484 UNXGIPCVEZLQAZ-XXBNENTESA-N 488.566 0.929 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCNC(=S)NC)CCN2C(=O)OCc1ccccc1 1829134047 WNHYPOSVEZTSSW-HSZRJFAPSA-N 471.583 0.556 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1829263105 IXHPJIQVHDKEEV-JPYJTQIMSA-N 456.499 0.134 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(=O)N(C)C)C2)C1 1829343156 SNAFZOZJVQDZEC-AOMKIAJQSA-N 462.572 0.845 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n(C)n1 1829900798 NIXDMZOMMIOZQS-HSZRJFAPSA-N 453.499 0.613 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)cc1F)CCO2 1830173526 MREMCZZRIJXVLL-LJQANCHMSA-N 469.263 0.746 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1830643014 MBWQRTLMASKROI-DEOSSOPVSA-N 460.619 0.991 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1830778720 JBKBWOSKDNUZDE-XGHQBKJUSA-N 485.628 0.437 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831466576 QFZNAQRZEOZJKP-JTSKRJEESA-N 479.555 0.074 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1831485560 XJDAKIBQNJUZIS-FXAWDEMLSA-N 471.601 0.510 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833024096 BPCDOYVMVSYQIU-MZNJEOGPSA-N 490.557 0.432 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833400505 XRFIPPHTKHMRKV-IIBYNOLFSA-N 482.559 0.356 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3nnc4cc(C)nn4c3C)CC2)CC1 1833465881 UXFLSVWZHOTFAG-SFHVURJKSA-N 467.574 0.965 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833569826 ICNLDRFBVMDNNT-ZSRFSCCOSA-N 481.481 0.381 30 20 JCED COCCOCCOCCOCC(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834604249 KAWKXERZWIWOBD-UHFFFAOYSA-N 480.606 0.558 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC)CCO2)C1 1834975093 VXXBVWFOSBQFSI-FDDCHVKYSA-N 467.563 0.786 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835169005 PWJLTPLQYBEJFR-DEOSSOPVSA-N 472.542 0.696 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CN(Cc4ccccc4)CCO3)CC2)CC1 1835485920 DFYNUYHSPQILBR-HSZRJFAPSA-N 482.581 0.547 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)CN)CCO2)C1 1835551355 HAKSYRTUIJERJO-XXBNENTESA-N 460.531 0.273 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835682670 QENDELPNGGSDGK-VWLOTQADSA-N 486.569 0.754 30 20 JCED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837079755 WXQSBEKCJIEXEA-UHFFFAOYSA-N 477.574 0.927 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837098694 RTGZFBIBSYDEML-DEOSSOPVSA-N 465.510 0.850 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837635638 COVLECWXJZIYKX-NRUMPKIHSA-N 475.542 0.482 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835389 BJHHAGWWTZYXGK-OAHLLOKOSA-N 462.484 0.511 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3oncc3C)CCO2)C1 1838402595 KUQDGNLZZHUVRT-GAJHUEQPSA-N 476.530 0.970 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838626109 HWXOEQTZEDMMPL-IVZQSRNASA-N 475.454 0.432 30 20 JCED CC(C)n1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1C(=O)O 1838732434 QSMDOYMBIHRFDY-JOCHJYFZSA-N 470.486 0.746 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)CCO2 1838834825 AIIQJSGPAVSAOG-NRFANRHFSA-N 450.492 0.008 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)ccn4C)C3)C2)c(C#N)c1 1839132469 HORULHWJZAIONO-VWLOTQADSA-N 480.521 0.578 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4ccccc4=O)C3)C2)c(C#N)c1 1839132647 LCPZCRKHFUILKZ-AFMDSPMNSA-N 494.548 0.989 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCC)nn3)C2)C1 1839175299 AEFAJVOHAJPQRY-QFIPXVFZSA-N 462.503 0.455 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(OC)c3O)C2)C1 1839175462 LESOKXHMWJGEBX-DEOSSOPVSA-N 492.525 0.989 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839194468 LGUYRGORSPYREN-DVECYGJZSA-N 497.589 0.149 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839451102 ZVVHUIILZGTEPQ-JTSKRJEESA-N 478.571 0.265 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840006000 HNTHNVZKKXXDKB-VNXZQDSDSA-N 464.515 0.296 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1840160000 UHXQAQRJNHMGBX-QRWLVFNGSA-N 456.586 0.407 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)C2)C1 1840164599 BYFZBSVKCIMGSI-RDPSFJRHSA-N 491.610 0.922 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840359095 HKMUFOVUZSIANE-JOCHJYFZSA-N 454.487 0.075 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818558 JDUFYBJFIFEROP-QFIPXVFZSA-N 477.539 0.300 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840856884 CWZPHFSXCVNURT-NZQKXSOJSA-N 460.506 0.633 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1841055797 WGTJTNLAVYSVJI-JJEJIETFSA-N 469.542 0.684 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842918919 BRAXPVYZAZRQLU-MRXNPFEDSA-N 451.568 0.747 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1844235980 KRJYUWTWCABHER-GOSISDBHSA-N 455.559 0.798 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O)NC(=O)OC(C)(C)C 1848128392 IQGTWYZAXZQWRM-WCVJEAGWSA-N 463.535 0.646 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(CCc2ccccc2)c1=O 502047201 FMSVBUGXYZMQCR-IBGZPJMESA-N 463.563 0.684 30 20 JCED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)[nH]c21 503733513 WJWKNUQINNTXKL-CYBMUJFWSA-N 453.484 0.707 30 20 JCED CCOC(=O)c1cnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1N 504199846 UGUVFUAFJBLYPT-UHFFFAOYSA-N 490.567 0.732 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(OC)c(OC)c3)c2=O)cn1 523859804 HHVPIXHMTNIKCU-UHFFFAOYSA-N 465.535 0.914 30 20 JCED COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 603262896 LDIFEZNTIKUBOI-XLIONFOSSA-N 471.539 0.435 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(=O)N(C)C 604269849 FXVHMWNKITWWKV-UHFFFAOYSA-N 457.512 0.181 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(=O)N(C)C 604434325 NZUVIQNXPAHMTF-UHFFFAOYSA-N 486.506 0.406 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c(Cl)c1 619538267 ZGMKTPLUCTWIMO-UHFFFAOYSA-N 462.959 0.060 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 728532636 GDOMJRUZFKBMFD-OAQYLSRUSA-N 474.583 0.326 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 728534999 ZPGSIWCIANGDDR-UHFFFAOYSA-N 454.552 0.672 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(=O)N(C)C 747076241 NRSQVLZTWPGNLT-UHFFFAOYSA-N 462.478 0.405 30 20 JCED COc1ccc(CN(C)C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 821735991 ONKZGNXDYOWGJV-UHFFFAOYSA-N 461.496 0.944 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)cc1 914564858 HXZMYCFSPCRULZ-UHFFFAOYSA-N 451.508 0.003 30 20 JCED N#C[C@@H](C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917013105 IMBVRIVHODVYPD-SFHVURJKSA-N 497.489 0.797 30 20 JCED CN(CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ncccn1 919086164 VJHGOMADCYQZMV-UHFFFAOYSA-N 451.443 0.924 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)cc1 919800508 LMIPXIAMEDMWRV-XHPQRKPJSA-N 497.533 0.850 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)cc1 921172482 VEFRABDTUIXOMJ-UHFFFAOYSA-N 463.493 0.880 30 20 JCED C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359140943 QWARJQPBLSRKOV-UHFFFAOYSA-N 469.955 0.907 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CCO)CCN1CCOCC1 1466187645 MNXNDDMGCXHESF-GOSISDBHSA-N 452.577 0.293 30 20 JCED Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1554352707 XDMHUEKSSLIJLT-INIZCTEOSA-N 455.548 0.759 30 20 JCED COCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCC1 1555303109 STFAPVDKNTVUDR-HZPDHXFCSA-N 454.553 0.156 30 20 JCED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1612657950 NHXVCEMOQAQGGI-WBVHZDCISA-N 458.544 0.830 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1696593176 ZSYJPEQUDSEYHA-GOSISDBHSA-N 487.586 0.821 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CC1 1698312065 SASHHRCREIHASW-HXUWFJFHSA-N 473.603 0.745 30 20 JCED C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740742364 NGHPLWWBOPJZEO-UHFFFAOYSA-N 459.312 0.584 30 20 JCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1750205823 SMDSODSWQPCXEF-UHFFFAOYSA-N 457.560 0.262 30 20 JCED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1763036072 RLBQCRWDNUHVRG-CRAIPNDOSA-N 457.560 0.908 30 20 JCED CCNC(=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCC1 1767194295 TVCVVEXBQPZOPU-CVEARBPZSA-N 467.596 0.513 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1770343600 OKUSMQCBECSZHJ-MRXNPFEDSA-N 459.532 0.089 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1cccnc1 1779099603 IVHCSSOASKYULR-IORORUSLSA-N 459.503 0.170 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CSCSC3)C2)C1 1779141971 SRCVGVNWVNVCFI-PBJXNIARSA-N 454.618 0.718 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)c2cc(C)on2)C1 1779434493 YLFSJZKERBFIMS-YZZKKUAISA-N 462.547 0.800 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(=O)ccn4C)C3)C2)c(C#N)c1 1780104598 XGEOQKOBNWMFKQ-XMMPIXPASA-N 450.495 0.952 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780200486 BXESOSFXXJLSSR-VWLOTQADSA-N 495.536 0.821 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccn(C)c2=O)CCO3)c(C#N)c1 1781171142 JQNOOPJGSWXBAB-DEOSSOPVSA-N 450.495 0.952 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1781380520 NLLNDUHAIUYDLE-MQHZAWOVSA-N 495.573 0.615 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781560656 YCOAGXCPGWJLEJ-WZONZLPQSA-N 488.545 0.552 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c1 1782191889 APNVFFIFUVVVQQ-QHCPKHFHSA-N 494.533 0.990 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)Nc3ccc(F)cc3)C[C@@H]21 1783531520 UXSRADZENCVYEX-VIXCZISXSA-N 472.517 0.992 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1783862819 PDUDMWXHLDXLRD-IJAJJQNTSA-N 455.577 0.261 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783993574 OUYRMOQBDAMUQO-XSLAGTTESA-N 483.562 0.361 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1784196750 LKJSSTXUEAYUQG-MXZXMXBTSA-N 492.573 0.954 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785314577 GOKXFEFNYWUWOS-GAJHUEQPSA-N 463.531 0.942 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)NCC)CCO2)C1 1785577353 NRYISABYIWZRPU-HKARXFIJSA-N 479.578 0.441 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccnnc4O)[C@H]3C2)c(C#N)c1 1789116399 YRICEVXCZFNKEV-YSSFQJQWSA-N 451.483 0.898 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)ccc4F)[C@H]3C2)CC1 1790227352 OPYICIZVXIMENN-CUWPLCDZSA-N 492.573 0.962 30 20 JCED COC(=O)C12CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/O[C@H]5CCCCO5)C[C@@H]43)(C1)C2 1791016811 CDXUPLOBQZQIKH-SFXXVYARSA-N 463.531 0.838 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1791103427 XTWIQACASVWIPG-QAETUUGQSA-N 480.562 0.972 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccc(Cl)cc4)C[C@@H]32)c(=O)nc1O 1792130481 IDLBBOYECJIOBU-IHPCNDPISA-N 484.940 0.942 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)NC(C)=O)C[C@@H]21 1792255306 GWHDPXLFSPTFGL-FSGKZVOOSA-N 478.590 0.797 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1792262059 XSRMROYNKQTIGK-NXOAAHMSSA-N 460.535 0.325 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1793354627 FVXSOGZAKGXZBB-OPOADAIRSA-N 455.511 0.853 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794112082 HZQZZXXGVZWEPP-ZURLZEQWSA-N 461.519 0.383 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cn1 1794441752 XYMLQPVLJAXNHM-DCXXXQMHSA-N 459.547 0.922 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)[C@@H](O)C1 1795081742 NRLOYPDZOQXMRS-KMWNMMNJSA-N 450.536 0.498 30 20 JCED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1795277594 KPRDQWRTDHJEOP-HATOLVCRSA-N 473.489 0.933 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc(Br)nn2c1 1795927295 KNPXFLQHFMYCQY-JJAZEVLHSA-N 476.331 0.733 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1-c1cccc(=O)n1C 1795933073 LTPBJSRVDLOEIU-YZIUBNRHSA-N 483.569 0.656 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1799306524 ISHNZQAYBVSFQQ-DTVVZGISSA-N 485.581 0.721 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1799375162 PHMVQTCUJLOGPA-UXDQUXDASA-N 498.646 0.799 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccnn1 1800271400 OLWUQIQIWAYWTB-ADPPENSOSA-N 474.562 0.898 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801069574 MDLMSIUNHYMBLM-BFMVXSJESA-N 478.590 0.962 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C 1801158676 QVNRXSVYJQGGJU-NRUGXNMXSA-N 463.531 0.540 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C)C1 1801558657 WWIZSOWQMXWHIL-FCGDIQPGSA-N 450.580 0.997 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2)NC(=O)OC(C)(C)C 1801928905 WOHAMGLJVKXJIZ-CLWJZODNSA-N 487.619 0.870 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)[C@H](O)C1 1801990413 YBDHDCKIUFBYMG-DLIYGKSNSA-N 463.531 0.721 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)C(C)(C)O 1802151202 BSCLDSKLTKSHBZ-AZCPIAJESA-N 492.573 0.952 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@H](C)N2CCN(C)CC2)[C@H]1c1cccnc1 1802487302 HCRMICCRESKMQQ-XUOZLJLTSA-N 468.602 0.582 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1810249868 AITHUPOHRKSLLF-BXWFABGCSA-N 452.515 0.863 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812390781 CWQBIBOXEGNCLU-LMRSFZHFSA-N 455.471 0.343 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)N2CCN(C)CC2)[nH]n1 1814438500 NZAJKJCCORKLCN-CZXSNVBGSA-N 457.579 0.896 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC3)c1 1821385881 YCLCCEJRPNNPBI-ZFWWWQNUSA-N 456.528 0.842 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)N1 1825074236 KHVRDEOSYSTSIW-NBSHVLSXSA-N 463.535 0.733 30 20 JCED Cc1cn2c(=O)c(C(=O)N[C@@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)cnc2s1 1825667181 HGJUJMOPANWYIF-SNVBAGLBSA-N 457.493 0.835 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCN2C(=O)OCc1ccccc1 1828506247 ZBCNMJCPNLSSEO-CYFREDJKSA-N 467.526 0.878 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1828581092 YCOICCGXPSDTII-UMEGOILYSA-N 484.553 0.611 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1828807932 ZIQHETQDTKVZLX-QFIPXVFZSA-N 452.471 0.228 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)[C@@H](N)CCC(N)=O)C3)C2)CC1 1828921401 UFMLEIQGJCWUBE-UQBPGWFLSA-N 496.568 0.335 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1ccnn1 1829335275 YPBASDGGBAZRMI-HOYKHHGWSA-N 494.508 0.379 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628016 KGMWQIQCASOTAZ-DEOSSOPVSA-N 456.543 0.862 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1829762607 MGOLNZCREYEKGI-IBLIISRWSA-N 452.511 0.416 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3=Cc4ccccc4NC(=O)C3)C2)C1 1829768654 DCAMDEIEBVDCQA-UKDBKGKESA-N 494.548 0.727 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NNc1ccccc1)CCO2 1829801647 FYGHCFCNPDGTBJ-NOZFXVHRSA-N 471.558 0.306 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CC)NC(C)=O)CCO2)C1 1829864626 DPVABEXQBHCGRC-GLDPYIMESA-N 496.605 0.827 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CC(=O)N(C5CCCC5)C4)CCO3)C2)CCC1 1832360108 PJIROLTUZNCUOZ-KOSHJBKYSA-N 458.559 0.928 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1832478468 RLMYAIJUTDBZGE-QFIPXVFZSA-N 478.622 0.046 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1833431551 CQKUEPKXGFFMCN-JOCHJYFZSA-N 460.535 0.227 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c(CC)c1F)CCO2 1833738895 OLPIOMGZMCZBIT-NRFANRHFSA-N 452.483 0.691 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834396326 STLLFMCDWUOJQX-SFHVURJKSA-N 451.568 0.747 30 20 JCED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835245422 SYTQMHPMRLFRMH-JOCHJYFZSA-N 457.487 0.168 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)c(C#N)c1 1835707292 ZIRCSUWWWPRNJH-UKILVPOCSA-N 479.537 0.661 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@@H]1CNc3ccccc3C1)CCO2 1835772414 KIQFCSUYAROJEH-UUOWRZLLSA-N 455.511 0.595 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3cnncc3C(=O)O)CC2)CC1 1835920868 ZIAOCXHDWOFZLM-UHFFFAOYSA-N 473.530 0.869 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccco1 1836127836 JZHLHWNZBUIBDU-DEOSSOPVSA-N 473.526 0.164 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nc(Br)nn4c3)CCO2)C1 1836255734 QPEPUVNABFPRJG-KZULUSFZSA-N 484.376 0.880 30 20 JCED COCCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1836551137 IFVWTYYIMFQZEM-PHPQDFSTSA-N 479.534 0.129 30 20 JCED CC(=O)Nc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1836662333 PUUBZGWNTSMJPU-VWLOTQADSA-N 485.585 0.926 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1)c1ccccc1 1836674256 LYWPTLVKTYBQPQ-RPLLCQBOSA-N 482.625 0.887 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1837400232 AAUHTSGYAIXPAP-UZUQRXQVSA-N 491.497 0.967 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837466644 GVRFNTJKDMDXNQ-NRFANRHFSA-N 479.990 0.766 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837489702 PXGKZKHPVPKMHY-XMMPIXPASA-N 456.543 0.564 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CS[C@@H]1CCCCO1)CCO2 1837502561 XJMQOVOUVWIWQZ-DGLJZFITSA-N 467.588 0.561 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)ccc1O 1837531221 DYTGBEIQULFGNZ-UYAPEEHZSA-N 477.514 1.000 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837646706 AUAZVYSMZITVNJ-GAJHUEQPSA-N 470.505 0.624 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)cc1 1838324443 HMIUSQPXFCJHGJ-DEOSSOPVSA-N 478.509 0.150 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)CCO2)C1 1838503564 DUGQFUFHOSHZCF-AXHZCLLHSA-N 479.574 0.738 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838579625 UPLUOZPDLFQNLH-DEOSSOPVSA-N 472.542 0.943 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCN(C)CC4)C3)C2)c1 1838580740 RBYHIFQSHVDYKM-RUZDIDTESA-N 485.585 0.274 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838766035 QCOBXYKRNNWSGI-LOIYZEMGSA-N 490.439 0.423 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048551 GTVISIYDONVBIT-WPQMSITRSA-N 486.529 0.257 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839080994 RYTRWMPTVJNKDM-NMMYMHLASA-N 463.575 0.827 30 20 JCED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CCCN1 1839123101 VLVYRSNYYAQORV-PKTZIBPZSA-N 452.515 0.647 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839138550 GXADLJXHHOXAJY-JOCHJYFZSA-N 468.551 0.534 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)COCCO)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839195644 ABBCHDXFPANTJY-MBSDFSHPSA-N 483.562 0.017 30 20 JCED CCCN1CCN(c2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)cc2)CC1 1839476059 RMKVVRWOJFSOEY-SANMLTNESA-N 498.580 0.377 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(CO)o5)C4)C3)c2c1 1839488286 JHVPGMYKZZJBRC-HSZRJFAPSA-N 465.466 0.904 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCOc3ccc(Br)cc3)C2)C1 1840039882 CGVRGQSFCKDIPK-NRFANRHFSA-N 495.326 0.762 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)C2)C1 1840044567 LZFMGGSMHQPRPK-XMMPIXPASA-N 491.541 0.178 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1840176917 KHWZJZWXKXFYMZ-XZOQPEGZSA-N 478.929 0.764 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840290701 FMKDZAYKXLBRIU-SBUREZEXSA-N 463.531 0.782 30 20 JCED Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840493355 WPENVKUZJHRQIF-AHLCNKESSA-N 463.535 0.738 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c(O)n1 1840548446 FNQHRIMKUYCRGQ-JOCHJYFZSA-N 481.571 0.411 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1)NC(=O)OC(C)(C)C 1840795567 PLXUHDZCAIYDGC-MBSDFSHPSA-N 468.595 0.864 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1840908867 JOGLHEDRACRERZ-NTKDMRAZSA-N 479.574 0.786 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844795496 SZISEIPYYPILDZ-MRXNPFEDSA-N 486.577 0.860 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1845223012 ODIGEHJSNXXAGT-ZZQPOVDQSA-N 451.568 0.937 30 20 JCED CC(C)(C)OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846271799 NZJVMTFKPZQSNV-OAHLLOKOSA-N 479.530 0.903 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2)C(C)(C)S 1846301013 KXOPNXCSTZTBHX-GXTWGEPZSA-N 483.591 0.390 30 20 JCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2)NC(=O)OC(C)(C)C 1846934746 PCACLTSIGURUPW-CVEARBPZSA-N 451.568 0.642 30 20 JCED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)NCCC#N)CC2)c1 11677244 JXDWUPLXVSNQCY-UHFFFAOYSA-N 464.544 0.490 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 17843691 ANJOTRJRTWOQFV-UHFFFAOYSA-N 469.567 0.883 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCN(C(=O)OCC)CC1 18760395 MUQKKFDYKZVFHY-XMMPIXPASA-N 484.509 0.995 30 20 JCED Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)no1 518170512 SXQDUHIHAJEHFF-UHFFFAOYSA-N 460.516 0.490 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)s2)c1=O 523088946 WOPYRNQSYOHUDC-UHFFFAOYSA-N 497.042 0.613 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(F)c(F)c3)c2=O)cn1 523863816 CGCAYORHEIDUIW-UHFFFAOYSA-N 471.489 0.755 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCNS(C)(=O)=O 524281047 CSRSUGNLFZABCV-UHFFFAOYSA-N 483.015 0.388 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)c1=O 613979340 CNMNLSVXFKOHIU-GOSISDBHSA-N 456.499 0.925 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C)s3)c(=O)n2-c2ccc(OC)nc2)CC1 726961740 MBZHNFQOTHSPDX-UHFFFAOYSA-N 496.618 0.735 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)c1 769842679 HFNIULQZMHHNML-GOSISDBHSA-N 497.595 0.728 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1 857836295 RGSKRACKMFAYBB-UHFFFAOYSA-N 499.545 0.544 30 20 JCED C=CCn1c(S)nc2cc(C(=O)N(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)ccc2c1=O 917134775 VNBROEZUOLTQMO-ZDUSSCGKSA-N 450.542 0.247 30 20 JCED C[C@H]1Cc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)ccc2N1S(C)(=O)=O 917984231 CPADGWORMRPFNG-AWEZNQCLSA-N 491.547 0.973 30 20 JCED CC(C)[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 919316473 YGZKPSBKLJGZOJ-QUCCMNQESA-N 470.569 0.734 30 20 JCED CCOCCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 919665222 RQXHZXGJCFWWSU-LJQANCHMSA-N 464.544 0.405 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920417162 YSTWGPIDNBABGM-UONOGXRCSA-N 468.488 0.939 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1298940476 WDHXMXCMBCOGMO-MRXNPFEDSA-N 467.596 0.513 30 20 JCED COCCN1C[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1301855957 JACJCGHMBYGTHA-HZPDHXFCSA-N 454.491 0.149 30 20 JCED CCCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514443111 JSFPYQHJLJLLMJ-PMACEKPBSA-N 494.666 0.519 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1547320644 KIRIKBNERBIOPO-UHFFFAOYSA-N 468.562 0.417 30 20 JCED CC(C)NS(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1617887927 LXZRYUOGNMWEHJ-QGZVFWFLSA-N 454.622 0.317 30 20 JCED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CCN(c2cnccc2C#N)CC1 1678742592 LCCSJACAHJYWDD-UHFFFAOYSA-N 458.544 0.598 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)=O)C1 1698061852 WJUVVCOYZUXUTQ-MOPGFXCFSA-N 497.622 0.236 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)COC)CC2)CC1=O 1698076126 IOYOFAXWFAGMQF-LJQANCHMSA-N 481.557 0.607 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1710295861 OOPKQBDKEOMMKB-BBTUJRGHSA-N 467.615 0.896 30 20 JCED CCN1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1728573474 XBHUBPGZUFAWSL-FRQCXROJSA-N 455.560 0.395 30 20 JCED COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)OC 1749344474 LEXHFCCUARXZNY-MJGOQNOKSA-N 455.519 0.946 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779017463 PZGNEXRFYZBMNL-UKKLRFBMSA-N 460.491 0.914 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019459 QLLUWZGCDHJKKU-LZJSLVMGSA-N 481.594 0.564 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cn3c(nc2=O)SCC3)C1 1780544188 OMLDUFMKGVNPFO-XBHMSOGKSA-N 452.602 0.724 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781045379 PBCJUJPFAQOORI-LYXWCMDISA-N 478.590 0.236 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781103592 IRJWSTCZHAJJNE-DFIYOIEZSA-N 491.633 0.369 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1781862003 YCPKRVZGDVIYFZ-AUSIDOKSSA-N 476.505 0.913 30 20 JCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](S)C(C)C)C3)c(=O)nc1O 1783111685 FWOZEKZOYCYDFB-QLVMHMETSA-N 452.577 0.726 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)[C@H]2OCC[C@H]21 1783567717 WXJWRVIPBKRECQ-RFVJQGCGSA-N 491.541 0.319 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785321866 RLRAZADPXYKZDD-SEPYTNNBSA-N 463.531 0.988 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785708559 PSKNKTDBSACUAE-IEZWGBDMSA-N 477.587 0.360 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)N4CCOCC4)[C@H]3C2)cc1 1788644810 DVAUDSPCCJJIIJ-CIEVZJJWSA-N 456.543 0.121 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1)NC(=O)OC(C)(C)C 1789766680 QOLGOQLWCZPKTF-XSEPRYCASA-N 480.606 0.548 30 20 JCED C[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C[C@@H]21 1791053271 NPFJPFATLGXLAD-OLMNGRFOSA-N 459.609 0.949 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077681 QXSRCFSEENMNKS-HJJDGDTKSA-N 499.564 0.320 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ncnn4C)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380014 KVYJMEIRHADQQM-XSLAGTTESA-N 474.562 0.974 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1792530358 AHSWWXINGHVWIM-HUHBNPCOSA-N 491.585 0.498 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792582680 DUOHBKNJEGKITD-YDLBFBONSA-N 498.580 0.973 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOCCOC)C2 1793359400 XYROMAIDNRSUAV-XWSHUIEDSA-N 472.579 0.253 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)O2)CC1 1793419236 MXAMDZNNAKTHQD-YVSFHVDLSA-N 491.545 0.225 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794320449 ICDZYCIFACAKDC-CYGHRXIMSA-N 451.545 0.261 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(N)=O)C2 1799321443 BKYSDNUUJNIGLL-RZFLPCETSA-N 481.594 0.882 30 20 JCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1800544877 WVZHTSBVTAALJP-CWPLJXCYSA-N 477.512 0.823 30 20 JCED CC(C)(C)OC(=O)NC1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1 1801947898 YTRISKYQBPFHHE-KHIYODNFSA-N 463.531 0.748 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cncn1)C2 1802140933 YNDXDKOKJUWOHN-FPVWDGRHSA-N 474.562 0.898 30 20 JCED CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1802680206 MEJYCPALQNPNBY-VFRCXAQDSA-N 460.535 0.888 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)c1 1804198951 RXVLQJMPGJBIED-RXVVDRJESA-N 470.555 0.331 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1807195202 BJLKEVNHURHHAT-SELNLUPBSA-N 464.526 0.631 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1809665416 OZKSOSUFLZKIDT-RZFNWQHOSA-N 455.559 0.290 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2c2cccnc2)c1 1811536684 WVBKEKVXSRTKJO-KXBFYZLASA-N 457.454 0.646 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c1 1811718371 OYTJWZLTDHGJFU-IERDGZPVSA-N 464.457 0.964 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)C#CC(=O)O)CC4)C[C@H]1CO2 1822632451 HTGYDCBXGSUWQD-MZFXBISCSA-N 490.538 0.922 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1828033906 NNQGZVSBCDCEGW-AWEZNQCLSA-N 465.491 0.931 30 20 JCED N=C(N)SCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828946117 BKWJBNILMDMDCK-QFIPXVFZSA-N 487.538 0.153 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829113669 NYWAWDRABUNCBM-CVDCTZTESA-N 487.513 0.417 30 20 JCED CN(C)CCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332464 MGJVPOHXTCCFMI-XMMPIXPASA-N 470.526 0.478 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1829460406 NVRYKGBXHQJKTM-VWLOTQADSA-N 495.536 0.404 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1829561419 GVACAXYJJSYALB-BZLIYVJTSA-N 465.938 0.982 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CC1 1829907241 CGFVOQUNFUIWRX-HSZRJFAPSA-N 455.511 0.900 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(c3ccccc3)CC1)CCO2 1830615032 VVWPAWCBIQYPDS-XMMPIXPASA-N 455.511 0.447 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 1830860621 OARIGGSBNYWILL-IXFSTUDKSA-N 469.579 0.929 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831324745 TVOHFTCRAYQNET-IEDAUISUSA-N 499.611 0.271 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1831397539 ZVXBVKWLAJFZMW-HRAATJIYSA-N 451.907 0.609 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1831493505 UUCITACPEJRYHT-JXOCDABTSA-N 453.605 0.798 30 20 JCED C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(F)(F)F 1832160753 PKHAQOFWRYZEEL-ZAZREYHOSA-N 467.441 0.285 30 20 JCED NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1833304496 LSSCSJDZQPPELD-XMMPIXPASA-N 482.924 0.956 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1833610717 GFFRONQEJCTWMJ-ACRUOGEOSA-N 493.649 0.750 30 20 JCED Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1F 1833672282 JXILZFYNJFQGPG-XMPRZIBXSA-N 453.471 0.456 30 20 JCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1833706913 ZWQUTJXTWYVHQE-HXUWFJFHSA-N 469.604 0.972 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3C)CCO2)C1 1834430425 VANXJYLPTGESQW-NTKDMRAZSA-N 489.573 0.715 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2 1835637329 ZJOGWNRSXWYGEK-JOCHJYFZSA-N 463.655 0.334 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1cccc1C=O 1835674266 HVDWXDYLZMEFFY-WZONZLPQSA-N 459.547 0.600 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1835677242 CORSVBBPKWUCOE-XUZZJYLKSA-N 485.541 0.459 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835677382 GZFWWNUIUAJJRS-GPDGIRHFSA-N 465.551 0.254 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)N1CSCSC1 1835678034 VJJKIWXVFQFCBJ-LAUBAEHRSA-N 485.676 0.768 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)n1cncn1 1835769096 SKHNFNQSVWHSGP-LYWMUTOISA-N 461.567 0.940 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC)C2)C1 1837342011 QMUQQSAHVMGBQT-HXOBKFHXSA-N 498.577 0.658 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837381785 IZGJRNCVCHNQRW-PIHUTKNWSA-N 478.571 0.651 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1837447130 UXSQBNCCGWRXOR-WEAPZMLVSA-N 495.580 0.825 30 20 JCED Cc1nnc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)s1 1837488798 RXUKZNORVYLJDZ-QHCPKHFHSA-N 476.599 0.934 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838358142 PGYIPIUOYPGHFX-VSJIRZMASA-N 484.550 0.579 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c([N+](=O)[O-])cc1O 1838602319 ZUTMAOSAUAGIGZ-QFIPXVFZSA-N 459.455 0.792 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839082774 IJBZQEHAZMHHDQ-VRUMLPLGSA-N 465.550 0.896 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5ccncc45)C3)C2)c(C#N)c1 1839133037 YJNVQZOFUQZRIX-RUZDIDTESA-N 490.520 0.922 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839136122 IFNDIZSPLFTQBJ-SBUREZEXSA-N 496.561 0.593 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839166064 FFAGNOSIAYIIBB-JKSBSHDWSA-N 468.551 0.047 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1839173923 VOQIYEXNUGOVSB-QHCPKHFHSA-N 486.529 0.321 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1839227403 PUEZESKZCRCBFE-AOMKIAJQSA-N 474.518 0.202 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3c(C(F)(F)F)cccc3n1)CCO2 1839494545 GRAUQAOWJSFVFH-HXUWFJFHSA-N 480.399 0.511 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1840202050 WGKYAZYGOUAZHG-GOSISDBHSA-N 451.442 0.104 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1)c1ccc(O)cc1 1840220133 ZLSZPGHOAOSFQE-CPJSRVTESA-N 483.569 0.186 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251456 FNSUUUGPUPSPDO-MBSDFSHPSA-N 480.562 0.145 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840483549 SOYCXHCPTJGWMJ-XMMPIXPASA-N 468.485 0.918 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840802241 ZLZCQXGRUKDNIQ-SBUREZEXSA-N 469.579 0.931 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=C(/C)C(=O)O)CCO3)C2)c(C#N)c1 1840838455 JAMHFDCNRSCRBE-VJESUMGBSA-N 457.483 0.597 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1840840540 DNUWLFSXPJPXOE-BWKNWUBXSA-N 453.539 0.905 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn3C)C2)C1 1840907607 ZAZJYGRWJQSHEM-HXOBKFHXSA-N 475.546 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1843326680 GYIMBCVMKNZSPD-IRXDYDNUSA-N 494.589 0.992 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNCP(=O)(O)O 1847939567 IKZJBLDVUBFCLT-KKUMJFAQSA-N 460.468 0.382 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O)C(C)(C)S 1848034314 OQGVYJXMOWEXHI-HEHGZKQESA-N 483.591 0.342 30 20 JCED CC[C@H](c1nnc(Sc2c(C#N)c(=O)n(C)c(=O)n2C)n1CCN1CCOCC1)N(C)C 14287940 IQIQEWZSEUFUPO-OAHLLOKOSA-N 462.580 0.043 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)sc(=Cc2ccnn2C)c1=O 502011754 BKVTZJSMKILNOV-UHFFFAOYSA-N 479.562 0.708 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1CC1CCCCC1 504004592 HWTXITSBYAWIQI-UHFFFAOYSA-N 481.622 0.837 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1 514646280 UYNYIPYQRDHHFP-UHFFFAOYSA-N 466.588 0.912 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cccc4c3OCCO4)c2=O)cn1 523579749 DXSIEIOGWIWUMT-UHFFFAOYSA-N 465.535 0.914 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 590990465 LQNOUQJEEYGNFY-UHFFFAOYSA-N 489.525 0.373 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 604218734 HTPSAOFSKOSCRL-UHFFFAOYSA-N 464.486 0.042 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CC(=O)N(C)C 604270535 WYBPVIZPNCWPHA-UHFFFAOYSA-N 456.568 0.816 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)c(C)c1 608913126 WIKZBHHUZGOXJL-UHFFFAOYSA-N 488.635 0.638 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCS(C)(=O)=O 729674563 KDVOPQKHAVDASF-UHFFFAOYSA-N 463.537 0.981 30 20 JCED O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N([C@H]2CCS(=O)(=O)C2)C1=O)Nc1cnccn1 730727784 VQSCVZCNKBGACG-KRIJKFCRSA-N 474.568 0.930 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(CCN3CCCC3)CC2)c1 918305816 RJKISPGHUPOAQN-NJNXFGOHSA-N 490.630 0.678 30 20 JCED CC(C)CN(C(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 921172467 USBAPJYIVOXKOS-KRWDZBQOSA-N 485.584 0.707 30 20 JCED COC(=O)[C@@H]1CN(C)CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1162060997 WHBYFKCCMZZPRA-WBVHZDCISA-N 450.561 0.703 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1298097028 KGSHAFIMSIMSOZ-INIZCTEOSA-N 454.516 0.762 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCCCC1 1303863148 MUCYHSSWALCQSB-HKUYNNGSSA-N 464.640 0.941 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C1CCCCC1 1359474714 WISDIYCTIDUZKM-AEFFLSMTSA-N 481.623 0.998 30 20 JCED CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1=O 1360017754 JGTSLELZUWWNRS-JOCHJYFZSA-N 472.571 0.671 30 20 JCED CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503291545 SGVOROORGBWCCT-QLCIJSRNSA-N 480.620 0.250 30 20 JCED CC(C)(C)OC(=O)N1CCN(CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1558915411 MFRSWROZWJKGGH-UHFFFAOYSA-N 451.549 0.505 30 20 JCED Cc1nn(C)c(N2CCN(CC(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)CC2)c1C#N 1617284262 PAUSJNXGTKROEG-CQSZACIVSA-N 457.560 0.347 30 20 JCED C[C@@H](CC(=O)NCCN1CCN(c2ncccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1640969454 WYEOIBXIDILNLE-INIZCTEOSA-N 457.560 0.232 30 20 JCED Cn1cc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)CCO2)cn1 1696856408 JFXYUNKYKAUTHC-SFHVURJKSA-N 456.532 0.677 30 20 JCED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1723653191 XRGOVMMTSWXNJG-UHFFFAOYSA-N 468.562 0.464 30 20 JCED CCNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1746505758 RIJULWWDOZBESL-ZWKOTPCHSA-N 458.544 0.707 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749223593 CSRORXWMAALUAG-JOCBIADPSA-N 467.596 0.116 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1ccccc1F 1751222061 OMJIJCISLGSGHF-YJYMSZOUSA-N 467.502 0.899 30 20 JCED CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1768459529 TUQFKKZCFMVXRW-GOSISDBHSA-N 471.587 0.857 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778055982 SOMQCFAAZBMVGB-FYWXSZBBSA-N 492.540 0.486 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(C3CCN(C(C)=O)CC3)CC2)C1 1778886184 CJKNBVLNRRHAJS-RCZVLFRGSA-N 458.603 0.856 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106133 XIDGTNXBDSIXSR-XRWLCIBQSA-N 484.550 0.231 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779419862 JQFSLJBVRLZSQD-ZEMCFLSFSA-N 473.592 0.710 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](C)n2cnnn2)C3)c1 1780091007 IJFILSULBRCYPE-YIFZBPKDSA-N 453.503 0.942 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1781165531 LWNSANAORYJQOC-LLJLJFOGSA-N 476.574 0.792 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1781167040 ZPUUMUOSHJUTNU-FDDCHVKYSA-N 464.563 0.649 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781311393 UTIGEEAFTSBRBO-DVECYGJZSA-N 469.494 0.775 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CCO2)C1 1783888226 GHXFBIMLODICDH-IIBYNOLFSA-N 475.608 0.693 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784805705 RGBGTWGXXWISRF-BJLQDIEVSA-N 466.494 0.232 30 20 JCED CC(C)(C)OC(=O)N1CCC=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1785072621 CWQLZQVCCIDRDV-BZSNNMDCSA-N 461.515 0.621 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)CCO2 1785425166 GQGIIHAPSQFRDU-QHCPKHFHSA-N 483.529 0.370 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1785571976 GEOGKSPLFDQSSF-XDHUDOTRSA-N 485.541 0.541 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccn(CCOC)n3)CCO2)C1 1785574799 SONSQVIRRVAEAZ-HOYKHHGWSA-N 489.573 0.890 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]32)c(O)n1 1785774286 YNIXTAHOZUDXNR-FZDIXFNVSA-N 460.531 0.562 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1)C(C)C 1786370396 WDYSZUVCTOEYDY-VKESLTNKSA-N 477.562 0.251 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3C2)ccc1Br 1786890318 CVYDFXNVOOAMBI-PLYYQAHHSA-N 492.374 0.507 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cc2cccnn2n1 1789143154 AXAGSDFHFOMOGL-HNBMCMEPSA-N 456.503 0.852 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21 1789904325 KGCJSYBGDVAPGE-QTMHVTGLSA-N 496.605 0.888 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1)c1ccccc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c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)cc1 1797781643 ZKDSQPIJYAMJAL-IRJINJETSA-N 488.606 0.921 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2)c1ccccc1 1797876767 BVDVLJAOPGVCPV-ISBRNDMJSA-N 455.555 0.924 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1nn[nH]c1C(F)(F)F 1798711633 XLUVXFUPYGRKNJ-HHSBBOMPSA-N 460.413 0.556 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C(F)F)c1=O)C2 1799304183 UOOWBBGNTJLRNL-XOIINTDNSA-N 453.442 0.956 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799710221 FNOLBHDRTWYJLW-UKBAYJJMSA-N 493.358 0.675 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C1(C#N)CC1)C3)C2 1800325254 LYPOORHFFZUWOA-XLMAVXFVSA-N 455.515 0.516 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3nccnc3CN1C(=O)OC(C)(C)C)C2 1800456003 GPTYHGZSNPCALS-ZDUSMZPESA-N 455.515 0.361 30 20 JCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800835966 OCYZXKILNIPYRU-FSNPWBFUSA-N 478.546 0.536 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2)c1ccc(O)cc1 1801058543 BBCLTFVHEANXMR-CROMWVBPSA-N 462.568 0.914 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2 1802125653 MOVXBBMNOKIACC-FSDCSDTHSA-N 459.503 0.302 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807738195 NZOGXJDUQIXGKT-AKCHCHLHSA-N 471.539 0.591 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1)[C@H](O)N1CCOCC1 1810352980 CWFUUCJCPJIWOB-ABMQHCQJSA-N 455.515 0.450 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815690777 LQRUYQPPOUPSBG-JSGCOSHPSA-N 474.547 0.658 30 20 JCED C=C(C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2)C(F)(F)F 1825264679 WYVIRJNXZVMART-SSDOTTSWSA-N 454.394 0.613 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)C1 1826186487 WWCNNYAEWZQWGY-XUSGNXJCSA-N 478.527 0.515 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ncc[nH]3)C2)C1 1829330181 AVOWXJCHJGBNAR-HSZRJFAPSA-N 465.466 0.563 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1830044359 CJYWAFGGKQVQKO-QFIPXVFZSA-N 466.655 0.765 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c1 1830461364 DTZXOHXQFABFJA-HSZRJFAPSA-N 454.483 0.741 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1830468224 JCTKBAHWZYFSMN-QFIPXVFZSA-N 456.886 0.545 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1830886258 TXOKHQPJZXCOLA-QRWLVFNGSA-N 495.495 0.837 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831324757 TVOHFTCRAYQNET-XSKGNTKESA-N 499.611 0.271 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)C1 1831391803 VZORCHNVPQWYLO-MHECFPHRSA-N 458.511 0.843 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1831433873 NTXATAMPOKOSQZ-PETUGJSASA-N 487.597 0.669 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccn(C)c2=O)CCO3)c(O)n1 1831881947 CMRHYHUYPBCFTP-VWLOTQADSA-N 482.537 0.988 30 20 JCED CC(C)c1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)no1 1832788809 GYJNOZQOLAHVRW-XMHVBLFMSA-N 462.551 0.664 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1833712446 JWQLISAEWBVKPS-KSFYIVLOSA-N 463.535 0.949 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1833864423 FRXNTSDYXCWHKF-HSZRJFAPSA-N 453.499 0.993 30 20 JCED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(Br)c(C#N)c4)C3)C2)n1 1833883179 OLYMDIWQALZGAS-FQEVSTJZSA-N 489.330 0.833 30 20 JCED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc2c1-c1ncccc1OC2 1834758141 GTYGMCSMSFXSPY-QHCPKHFHSA-N 451.483 0.963 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834859770 CRWFQXSGTBIREB-UZUQRXQVSA-N 481.546 0.313 30 20 JCED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1835244301 VOWRQURJAFFVME-HXUWFJFHSA-N 486.447 0.705 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1835440653 CXWMKPSXXQUAEA-SFHVURJKSA-N 482.647 0.268 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1835677342 OHKNITIWAQYRRM-VWLOTQADSA-N 496.568 0.518 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835800248 NLYRSWWZADEJBR-QRQCRPRQSA-N 493.586 0.712 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837382371 XZUSLEAMAXQGDJ-IVZQSRNASA-N 477.949 0.989 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1837396436 GUTWGXMSXMYAFD-CYFREDJKSA-N 472.542 0.698 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1837490591 HZVGDHMMYOVOPQ-NRFANRHFSA-N 461.475 0.087 30 20 JCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491781 ZRWTUYFNTZOLLZ-RUZDIDTESA-N 481.553 0.806 30 20 JCED O=C(NCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1ccc[nH]1 1837524636 KVRLDZMTMTVIEM-XNUVYTDDSA-N 491.545 0.120 30 20 JCED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)o1 1837524756 MDPGMFIXXYFOHV-XZYKOBSISA-N 465.507 0.340 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1837525477 WUXZTIJLISVLAU-SXMBHVFSSA-N 499.414 0.327 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837529747 XSXXHLALKHYIGR-KTYCBKDJSA-N 472.502 0.328 30 20 JCED Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837532340 BMZKUQHWTRCRTP-LLILABCDSA-N 463.535 0.738 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838418887 WONOTTWUFFWKKM-OPAMFIHVSA-N 476.555 0.399 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)c21 1838437497 DOPMNCHLXSKPLQ-XMMPIXPASA-N 484.557 0.631 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1838648836 LUCJMJGGEVITKO-HXUWFJFHSA-N 481.590 0.911 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838766031 QCOBXYKRNNWSGI-DXVRDOGKSA-N 490.439 0.423 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)C3)C2)c1 1838905574 NIHYFFNLKGYRHO-AVRWGWEMSA-N 493.520 0.635 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(c4ccccn4)CC3)CCO2)C1 1839051136 VDGDEBXLFUSONH-NLFFAJNJSA-N 470.570 0.793 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1839175302 AUMJOYYTPVWDTJ-JOCHJYFZSA-N 477.470 0.880 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1839227468 ROYZAVKWRCOPJF-XVXCJXIKSA-N 476.530 0.709 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)cc(C(F)(F)F)c1 1839442984 KVONVPAMVPGJGB-IBGZPJMESA-N 479.419 0.334 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc(F)c1F)CCO2 1839980559 XKXFDGQYMXUIIU-FUMRIQNTSA-N 463.481 0.822 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840164175 BAYYVLQEJWRIMO-WIEQDCTASA-N 489.591 0.218 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1840171769 YPIHNQFCAYWASD-JTSKRJEESA-N 451.520 0.597 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840172814 KERHPBOOBIUXGW-HTAPYJJXSA-N 453.536 0.655 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1840232872 IMJROORSKCJBCG-VWQFJMCTSA-N 454.527 0.910 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840289451 ACYYHDLQBAHXQO-MHECFPHRSA-N 475.542 0.782 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840344526 IPUJTUNENSQHAC-MBSDFSHPSA-N 490.561 0.606 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)cc1C#N 1840763322 WAJWKRYZTYYXSD-QHCPKHFHSA-N 468.514 0.707 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840770562 DNBYQYFBMIAYFL-XMMPIXPASA-N 466.494 0.736 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815221 DHEDBNGLKPPCSU-GAJHUEQPSA-N 455.515 0.350 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840895485 VVSKNZUXTMSDKK-CRAIPNDOSA-N 461.631 0.258 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1844384437 OXQLEHPAOAESLP-HNNXBMFYSA-N 453.421 0.940 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2I)C1 1844465782 SWLOXEQCWMRCTR-PLNGDYQASA-N 469.283 0.690 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O)C(C)(C)S 1848131402 XHDVLEMSEKBZNA-PWNZVWSESA-N 483.591 0.388 30 20 JCED C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 512563212 CRAHHXLJRCKLEQ-MRXNPFEDSA-N 458.558 0.531 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C1CCN(C)CC1 513043358 ZYYFERGRIPXONW-UHFFFAOYSA-N 484.578 0.213 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccccc1 514306148 HQZRXYYAVBXRGY-UHFFFAOYSA-N 478.549 0.990 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C3CCN(C)CC3)c2=O)cs1 517990130 BTAAFMWSAFCUBX-UHFFFAOYSA-N 475.640 0.851 30 20 JCED COc1c(F)cc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1S(N)(=O)=O 603663606 LTQMEGWFOQFPJL-UHFFFAOYSA-N 496.542 0.429 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cc(C)on2)C1=O 726403664 LVTSRCMLAZKSSO-OBAOGOGRSA-N 451.530 0.767 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](NC(=O)c3ccccn3)C(C)C)CC2)o1 727547747 OYUAPQQGYHGGBY-LJQANCHMSA-N 454.487 0.896 30 20 JCED CC(=O)NCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 730723919 KAVBUJMVTZVUSS-OAHLLOKOSA-N 455.500 0.672 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NS(=O)(=O)Cc2cccc(C#N)c2)c1 750413307 DELFMSJMUBROGP-UHFFFAOYSA-N 466.541 0.397 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(C(C)=O)CC1 828067236 DZPKXOXHWOMGEO-QGZVFWFLSA-N 464.544 0.518 30 20 JCED Cn1cc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)cc2)c(=O)n(C)c1=O 884229768 ABEXOFNIKJRSKE-NLZINVLXSA-N 461.496 0.608 30 20 JCED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)Cc3ccccc3C#N)C2=O)cc1 916775590 WDSVDROBQVPQGR-OAQYLSRUSA-N 456.480 0.980 30 20 JCED COCCNC(=O)[C@@H](C#N)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 917424090 BOZDVNGCLZURAT-HNNXBMFYSA-N 464.500 0.241 30 20 JCED COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 919665241 SKUTWPRCRZSWPD-KRWDZBQOSA-N 465.528 0.720 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 919994418 YGWJLDVBVNOYOJ-UHFFFAOYSA-N 476.580 0.787 30 20 JCED CCCNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1501145313 USDDQWCKDDIKNK-UHFFFAOYSA-N 453.551 0.926 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCOC1 1502728651 JEMYXYHAOATQMI-JTDSTZFVSA-N 474.484 0.922 30 20 JCED CC1(C)CN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCO1 1611797340 QOMQWNZJBSAFJS-GOSISDBHSA-N 481.623 0.462 30 20 JCED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1617716208 XRUVRCALUSJXFW-GOSISDBHSA-N 496.615 0.634 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CC1 1698311933 NJLXCKNGTVXSPV-UHFFFAOYSA-N 457.560 0.957 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2ccccc2)C1 1731015429 SOOAAPIXZQRKLT-RTBURBONSA-N 460.560 0.973 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1747449238 WYELUVVTBKLJIG-GOSISDBHSA-N 487.586 0.869 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1765507082 VEMXFBFMZZBSEZ-UYAOXDASSA-N 494.666 0.377 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1=O 1769923671 STDOLGJJWFSIHY-HSZRJFAPSA-N 470.530 0.829 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1779020429 MLLXRRMAOMTMPJ-NHMXVPMISA-N 483.529 0.594 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1779423041 YMROFKBATWGULL-SWUUMBIYSA-N 464.479 0.974 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1781294472 LBCWTURKYKGGNR-IVZQSRNASA-N 463.535 0.552 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)C2)C1 1782118731 KQLGRDHKUIBSPB-IYZQMXKPSA-N 488.497 0.914 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195091 MXELRBPRSSHCOP-OWJWWREXSA-N 488.508 0.487 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cscn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567683 WIASLIWHTGLUSA-ZHRRBRCNSA-N 492.554 0.497 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1783770761 CVKVIOVPENKHPW-IIBYNOLFSA-N 473.592 0.720 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4ncn(C)n4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784086718 NVGOVBIDZNGMLV-AOMKIAJQSA-N 460.535 0.824 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCc4sccc4C3)[C@H]2C1 1785097914 JRFTUIGSFKVBQL-IQUHNSSXSA-N 472.611 0.944 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1785575619 AQAHWGPQAKNPKX-AOMKIAJQSA-N 463.531 0.686 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)c3ccccn3)[C@H]2C1 1786872988 MWWNMPUWQCRUMI-XYYCENQHSA-N 485.585 0.978 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc(O)nc4O)[C@H]3C2)c1 1787432676 VEPOQAWORMWXQB-KKXDTOCCSA-N 453.455 0.675 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C[C@@H]21 1788572932 UFPBVPLUVLZFCB-FRYIKTPZSA-N 479.599 0.793 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)N4CCOCC4)[C@H]3C2)c1 1788653952 GKMRBCLGGSPGAY-LNPYSRMXSA-N 456.543 0.558 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789763140 XPIINHOLULQACR-RABCQHRBSA-N 480.606 0.548 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(c4ccc(F)cn4)CC3)[C@H]2C1 1790664414 RDGXBYZLEJPNSX-WDSOQIARSA-N 458.490 0.505 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)[C@@H]2C1 1791028408 YKABIPQBPUVPCZ-SAKUIJKHSA-N 461.515 0.167 30 20 JCED CC(C)(C)OC(=O)N1CCc2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)n2CC1 1795081474 FRLGZPIWWPAZIS-CWPLJXCYSA-N 472.546 0.793 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)c1 1797103941 YPNYVSWVIOIZJJ-ZSBFGKGUSA-N 472.465 0.288 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NO[C@@H](c2ccccc2)C1 1797173219 BIGYHGYKJJUALX-MJRBERDRSA-N 452.511 0.952 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1799354071 SGLCLJALABWHOI-VZHPYATESA-N 481.594 0.323 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1799395994 MFZFVJTVVCPLGT-QGLBADPUSA-N 482.578 0.749 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C4)c2c1 1799883448 KJEOJTDQTVTKNS-HBCWATKFSA-N 464.442 0.443 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCS(=O)(=O)C13CN(C(=O)OC(C)(C)C)C3)C2 1801000289 BKXMZRFYZSJAKR-SFNKJDCFSA-N 497.614 0.576 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2)c1ccc(O)cc1 1801056039 ZMNXDQCUOIEQLE-CROMWVBPSA-N 453.543 0.319 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1802490205 QOWRGPJJIRBDES-BSERLHTCSA-N 460.556 0.523 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1804191089 WZTHKJJOLSSIDA-IERDGZPVSA-N 464.457 0.964 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807145295 IUNPAINCFFWIMG-QFBILLFUSA-N 477.529 0.414 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccccc2C(=O)OCCO)[C@@H]1c1cccnc1 1811399080 ZLUZTPBHQCFTGT-VGSWGCGISA-N 465.462 0.638 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](N)CN)CC3)CC1 1822805367 XEFIRSKPHQGWAL-KBPBESRZSA-N 491.618 0.882 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)[nH]n1 1823521757 UGNBHUOXIGNYOE-VYDXJSESSA-N 489.577 0.911 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC)NC(C)=O)CCN2C(=O)OCc1ccccc1 1828495376 GGYXZDPUVIWWMH-RDPSFJRHSA-N 454.527 0.986 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)C(O)O)CCN3C(=O)OCc3ccccc3)C2)CCC1 1828527038 LJTTZVBZHWODBF-QHCPKHFHSA-N 456.499 0.443 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCN2C(=O)OCc1ccccc1 1829151615 UGOYPOBNBPYTIM-VWLOTQADSA-N 495.488 0.926 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C3)C2)C1 1829667499 ZLBUHTGYLHBKBU-JTSKRJEESA-N 453.536 0.295 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OCC)cc3)C2)C1 1829771244 NFZWXHQJVXLVMN-HAAQQRBASA-N 485.537 0.792 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1829856228 JJVUIEAPQGUQMU-DYESRHJHSA-N 497.474 0.957 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064900 YJDAWLIYIASXJQ-WAIKUNEKSA-N 496.561 0.449 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)N2CCOCC2)CC1 1830345633 PBNFNJKPVNOQOT-CVDCTZTESA-N 451.564 0.766 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1830352970 XKLAPDHSGSKLOV-HDKOVMQUSA-N 473.570 0.834 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)c1 1830462358 CARDKQPLYKXLSE-QFIPXVFZSA-N 461.540 0.765 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/C(=O)NCc4ccccc4)CCO3)C2)CC1 1830676662 YHLROSXDJOSOBG-DGQXCUQSSA-N 452.511 0.619 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1831431250 CQUMVDSYOHESIF-YCRPNKLZSA-N 462.528 0.417 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1831490439 BOYNBFHWHVCDMG-UWJYYQICSA-N 465.576 0.041 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831673635 TWLQDPMREBZUEZ-ROUUACIJSA-N 465.547 0.970 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1831999086 PNZBYDFYDYCTTF-GAJHUEQPSA-N 496.561 0.364 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1832458614 SXTNYFRVCHOSGE-NPPFBWRTSA-N 451.589 0.763 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833575131 QWLVGRQKMCEUME-HSZRJFAPSA-N 485.472 0.803 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834396325 STLLFMCDWUOJQX-GOSISDBHSA-N 451.568 0.747 30 20 JCED CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1834719062 LYUXITYKXXMZJQ-LJQANCHMSA-N 450.289 0.980 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC)CCO2)C1 1834817766 NAWRGYYCODFIFA-SBUREZEXSA-N 498.577 0.658 30 20 JCED Cc1cc2nnc(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)c(C)n2n1 1835339934 NRUMFFMAFCMFRG-UHFFFAOYSA-N 453.503 0.014 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835349475 FWSPEWVLXUZSFV-JOCHJYFZSA-N 463.556 0.639 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835351447 VZWKFMCATUFICN-YWZLYKJASA-N 456.586 0.407 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1835677191 AQKNRYZMPYDSND-JXSPYEIYSA-N 487.557 0.190 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1835755778 MCNQOJLHUNSDKZ-RTWAWAEBSA-N 481.590 0.626 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)ccc12 1836254250 VAPDZHBUTDPKQQ-XMMPIXPASA-N 481.509 0.885 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1836377050 WHCRUNDZCXVZMS-PLNGDYQASA-N 486.661 0.196 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836848014 GBHQAMJJRLBTFT-XROZVMNBSA-N 472.502 0.328 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837015424 VKSHCYIDXXKCSL-QFIPXVFZSA-N 455.519 0.081 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837466703 LSINYXXSDRENNP-OAQYLSRUSA-N 479.990 0.766 30 20 JCED NC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cc1 1837567250 ACOJHHVNFQSDAP-MEXCQQPDSA-N 454.483 0.568 30 20 JCED O=C(NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2)c1ccccc1 1837567933 ZAMNWERGQPLYMN-IAWFGPOKSA-N 482.537 0.975 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838653467 JPNRQYUSOLKSSM-HSZRJFAPSA-N 452.467 0.808 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838735189 YTWSRZSUODWBEN-HXOBKFHXSA-N 490.561 0.198 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)CCO2)C1 1839036843 QBJZGRGPBMZWQZ-SZUKKWSHSA-N 491.560 0.974 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1 1839130835 WRIRHEOPVQJLHL-MBSDFSHPSA-N 465.547 0.729 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1839173831 OCJUWBIZNUVSFE-XMMPIXPASA-N 495.573 0.819 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1839185793 LSBQPGWMNGHMFN-IUKKYPGJSA-N 482.578 0.437 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839222042 ACJMQAYOOGYBBL-JLHGSKIFSA-N 486.566 0.129 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1839227613 VMHIVZRXCPSFGA-VLIAUNLRSA-N 462.532 0.957 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(NC(=O)OC)c1)CCO2 1839244029 ZQRJPZYUSFQLMR-IBLIISRWSA-N 486.525 0.793 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363601 ZBZQGFNQHAJHOS-JPYJTQIMSA-N 452.515 0.750 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839414009 IDDPIWRQMDSFAG-XMHVBLFMSA-N 475.502 0.842 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421116 WOVNYNVPKLVZNU-NYHFZMIOSA-N 461.494 0.475 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1O 1839472593 FBAPCDPZQKYJNY-XMMPIXPASA-N 487.557 0.702 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)ccc3-n3ccnn3)CCO2)C1 1839478255 KWRXITCAVFBUME-NTKDMRAZSA-N 467.526 0.684 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1839887549 IJBFGGLRNDMNSL-IERDGZPVSA-N 490.548 0.896 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840078437 VVRUYMQWEZVFNW-QFIPXVFZSA-N 453.536 0.206 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840425933 HWIPXMHWJHMNPB-VTGGFKIQSA-N 476.530 0.834 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c1 1840447482 KATYSEOXKDURBE-JOCHJYFZSA-N 454.487 0.319 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2 1840715421 ASVLFJDSSWGHOE-HXOBKFHXSA-N 473.599 0.868 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)c4ccccc4OC)C3)C2)C1 1840840685 HYTVLWDZAADQCQ-RUZDIDTESA-N 469.538 0.637 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1840908865 JOGLHEDRACRERZ-CYFREDJKSA-N 479.574 0.786 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1840912750 PAEXZASGHQSINS-HPCCJCSGSA-N 494.589 0.424 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C1CN(C(=O)c3ccccc3OC)C1)C2 1841052888 AWBSUMKBKYUZTO-KTKRTIGZSA-N 466.538 0.829 30 20 JCED O=C(c1ncn2c1CNS(=O)(=O)c1ccccc1-2)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841541138 MQKAFMKHIXXBRT-UHFFFAOYSA-N 465.535 0.895 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2ccnc2)C1 1842510278 HYBNYZRAFNYPFI-KRWDZBQOSA-N 490.561 0.892 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1844252088 BOTYZMXISQXJNW-UHFFFAOYSA-N 453.681 0.971 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301659 AHONGHCWOOHKKX-LWAFKECKSA-N 468.551 0.995 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1844301892 OWOBTILXYKYEAA-BYVWSJJGSA-N 480.562 0.947 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)c1 11352085 LUPXBRHXLJKMOD-MRXNPFEDSA-N 494.551 0.258 30 20 JCED CN(C)c1ccc(O)c2c(O)c3c(cc12)C[C@H]1[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]1(O)C3=O 77300767 GUNFOZREGBRAGY-RYNWUYHSSA-N 455.467 0.213 30 20 JCED in-vitro CS(=O)(=O)c1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccn12 109253888 PSRHIFMNDFLGTP-UHFFFAOYSA-N 473.536 0.756 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 489152278 BECFEGBHUCHAFI-UHFFFAOYSA-N 498.605 0.448 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1[C@]1(C)NC(=O)NC1=O 497765882 JFPOAILQWOZGSB-NRFANRHFSA-N 470.511 0.527 30 20 JCED Cn1c(=O)c2c(ncn2CCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n(C)c1=O 500061797 RHWJTMYZKUGTTC-UHFFFAOYSA-N 472.509 0.592 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(CC)c1=O 500560864 ZCSVGTXUEVFLIS-UHFFFAOYSA-N 460.512 0.892 30 20 JCED CSc1nc(O)c(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1C#N 507024747 SGYQRWZANPSNFZ-CHWSQXEVSA-N 455.562 0.493 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCNC(=O)C[C@@H]2c2ccccc2)CC1 514003352 LQUKLQBGPDAPEM-OAQYLSRUSA-N 481.578 0.954 30 20 JCED CCOC(=O)c1ccc(C#N)c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 514399838 JZTDOKYICZSHEE-HNNXBMFYSA-N 452.558 0.553 30 20 JCED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 603521373 NVVJANUPHDNHRS-UHFFFAOYSA-N 456.524 0.968 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(OC)nc1 608884349 GATNTEVVFSGEAJ-UHFFFAOYSA-N 454.483 0.707 30 20 JCED CC(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403726 MOVJKSCRNFGQQQ-DVCONVQISA-N 481.600 0.329 30 20 JCED CS(=O)(=O)c1ccc(C(N)=NOCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 726788613 RBEIOUFCADEFIP-UHFFFAOYSA-N 483.568 0.827 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)CC1 728589404 FIHUOFVJPNEFRA-UHFFFAOYSA-N 458.334 0.291 30 20 JCED C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CS2 748606896 RZEWPYAIEKCWHI-IERDGZPVSA-N 492.579 0.388 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1 753653441 HHQXEQQTWLYSGU-UHFFFAOYSA-N 478.548 0.730 30 20 JCED CNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)ccc1OC 915378769 RAZXZOCYBDJUDN-UHFFFAOYSA-N 477.499 0.277 30 20 JCED N#Cc1cccnc1NCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 916641260 ORJPGQSAGIUPDB-UHFFFAOYSA-N 459.488 0.989 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 916692813 INXIBKSYHIMMAA-LYBHJNIJSA-N 490.586 0.798 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 916714939 LXMIXWPKQPYMQY-HIXSDJFHSA-N 492.602 0.508 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2[C@H](C)c2ccccc2)CC1 917794980 OZDGQCGTJIOPQZ-GOSISDBHSA-N 476.606 0.920 30 20 JCED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 918835392 PJJKDZITWZTBCZ-OAHLLOKOSA-N 453.517 0.881 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)CCO1 1286948054 UQWBJAWEOQQLPZ-HXUWFJFHSA-N 483.529 0.912 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CCO1 1301902830 IPTGRGGPJQLSRT-HXUWFJFHSA-N 472.571 0.983 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1315066779 KJUBGJXXUKOZCV-GOSISDBHSA-N 459.576 0.920 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1360602781 QWHVVYNZMODLOX-FUHIMQAGSA-N 453.613 0.987 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1503696187 JKKJHYHCZYGPSO-GOSISDBHSA-N 489.602 0.891 30 20 JCED CS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1519524649 JERFWZSGLIFXDQ-ZWKOTPCHSA-N 479.584 0.674 30 20 JCED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c(=O)n1C 1542392907 UGTRUESNNCORSS-DOTOQJQBSA-N 463.564 0.405 30 20 JCED CN(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)CCOCC1 1617654804 AJWIRTDDGDPQJX-GOSISDBHSA-N 495.650 0.852 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CCO1 1618709785 NGVMUILWRWTEHE-TZIWHRDSSA-N 481.557 0.938 30 20 JCED COC[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697734538 STSHRIKHJKVMGU-JKSUJKDBSA-N 462.580 0.764 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCN2CCSCC2)C1 1698312595 ISXGXCFRAVWKTQ-GOSISDBHSA-N 483.664 0.790 30 20 JCED CC(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750982825 KQQLERYEWCAUPX-GOSISDBHSA-N 486.602 0.688 30 20 JCED C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1760700419 PNDUFAXMYRJFSM-IBGZPJMESA-N 494.600 0.950 30 20 JCED CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1765664910 VUCARAATWHXOAK-QFIPXVFZSA-N 455.519 0.732 30 20 JCED CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1768212541 VMSQGFIMEMPVHM-HNNXBMFYSA-N 468.605 0.968 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1778967232 JNWFDPBSWOHWNT-UTKZUKDTSA-N 451.545 0.502 30 20 JCED Cc1c(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn2[nH]cnc(=O)c12 1780019285 GECWKGNNTQYKGW-CXAJXKSHSA-N 472.502 0.304 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1781112811 DZZIKSZBXQFDNJ-WLENULPWSA-N 473.530 0.558 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782658878 FMLUAFAHRSANRT-HXOBKFHXSA-N 475.546 0.543 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1)c1ccc(O)cc1 1783262564 YBQUNTSHDFUFAR-OFVILXPXSA-N 473.570 0.006 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1783883224 GCPRWDBAYPBVRQ-HKARXFIJSA-N 498.577 0.393 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783932703 AGWTWLFNFWLOJC-IRBZQWRBSA-N 481.546 0.349 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1785196810 QCSDHMHXQYFIIG-GBXCKJPGSA-N 472.542 0.940 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCS(C)(=O)=O)C[C@@H]32)c(C#N)c1 1789842856 SHDKRPZKKJOTDO-VDGAXYAQSA-N 463.556 0.524 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21)C(F)(F)F 1790884136 DPJIVECFEIWNCG-JYJNAYRXSA-N 467.510 0.756 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791076439 DTIBSHQQCXXKFQ-WMUXEFRJSA-N 467.494 0.403 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)c3ccccn3)C[C@@H]21 1792257836 NDAZDRRSPDBYGA-XYYCENQHSA-N 485.585 0.978 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793086143 WBQDIGHMYXZVJU-XMTFNYHQSA-N 481.594 0.134 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1793340646 CJVWSEXCBSUSRA-XRNRSJMDSA-N 479.574 0.232 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c1 1794320860 MMICXZHIDFTIIU-NKFKEYGXSA-N 480.543 0.217 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(C)=O)[nH]n2)c(C#N)c1 1794561605 HZADXTUFDSWFIU-FAQVEIGNSA-N 451.483 0.938 30 20 JCED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N)C(=O)OC(C)(C)C 1795597977 NLMLPIQZLDDWKD-ALXJQNPVSA-N 451.568 0.725 30 20 JCED CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795993960 GIRYWKRFGABEAK-DRXBFXEBSA-N 468.436 0.446 30 20 JCED Cn1c(=O)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)c2ccccc21 1797812716 ZXILKINOFUFYEQ-PSLDLGPFSA-N 485.541 0.459 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1 1799092627 RIPHDVBUPRCEFH-WEMPKCCASA-N 469.494 0.511 30 20 JCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOCCOC 1799383773 ZNFOKEKBHGZKQJ-RUMRUAAYSA-N 468.591 0.856 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800298150 SKBKVCZEQSBDJG-AWJHCHFGSA-N 455.555 0.250 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801069910 OQJJPQIKHHHIPW-RFBJODPTSA-N 490.601 0.799 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(N)=O 1801668169 YZWSTFIQJCDIPU-YVSFHVDLSA-N 495.577 0.696 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801987172 NYDZCNFNUCJQSY-DFGXFYAUSA-N 471.514 0.901 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O 1802041358 WDLVPQBACIWFSV-VZRFADDPSA-N 486.544 0.321 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1C)C2 1802125837 WZEZAIOXEAYHMT-NBMJBFSESA-N 457.531 0.905 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1802126910 CUJUDDKWETVWKC-HPNQWNLUSA-N 487.557 0.621 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nc(C)no1)C2 1802139759 HQMGLJJRQKUHAH-FVSFCRNKSA-N 475.546 0.980 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1802479049 XTUBITUCTBJAQG-CVAZCKDQSA-N 465.510 0.261 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)[C@@H]1c1cccnc1 1802480276 FNHUAVNNJSFZSS-ZGDYIUDQSA-N 484.582 0.748 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1808434224 ZXCPBVVPEYANAW-UZLBHIALSA-N 457.487 0.149 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1 1812872027 ANFNZCGRUSADNX-UWJYYQICSA-N 455.492 0.893 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814980153 WSXVDQIJOLCGAH-ZBFHGGJFSA-N 479.559 0.832 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)NC(=O)OCC)n[nH]1 1819242731 ZKHXJYHENTYIFR-RDTXWAMCSA-N 451.480 0.976 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1819896526 QQHMRQOCLZBPRQ-HDDOFXBESA-N 487.542 0.838 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(=O)NCC(C)C)C2)C1 1829263190 NCDWDLDSSIMTOK-DEOSSOPVSA-N 454.527 0.844 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1829267107 RJCQMSQOWLRUAM-AUSIDOKSSA-N 472.498 0.136 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1829756182 VYAYGODCTFQQGV-OAQYLSRUSA-N 474.518 0.903 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1829762713 OEFYSQSWQXMQAA-WNWNSBFKSA-N 473.526 0.258 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cc3C)C2)C1 1829769547 ZJLACNZVKHUTHL-WEHRJKGCSA-N 457.527 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1829777336 WDINWANXWIZLHI-RRFNBQSRSA-N 484.553 0.040 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829906118 UTABWSCQIMMZQL-JOCHJYFZSA-N 459.572 0.041 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830178263 DUUFOGVXXVFZQV-VGOFRKELSA-N 464.540 0.198 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)C2)C1 1831387961 NWUVDDZSUWGHEK-IXFSTUDKSA-N 467.563 0.642 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1831392400 DHLOXXFKWSKWKW-IFXJQAMLSA-N 456.421 0.604 30 20 JCED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)c1=O 1831881027 IFMMKEHJLCYQBN-XMMPIXPASA-N 450.495 0.570 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnoc3COC)CC2)CC1 1833075000 LDHLFNPEBQSBOY-PLNGDYQASA-N 459.547 0.865 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)c1 1833399808 GEUXVOLCWKWYLI-QHCPKHFHSA-N 484.534 0.741 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)CNC(C)=O)CC2)CC1 1833543557 GDXVKNFQPDUHJO-SREVYHEPSA-N 461.607 0.579 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nc1 1833648115 YUACDZQOROPOGA-XQHLYRQSSA-N 475.546 0.747 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnn(C)c4)C3)C2)c(O)n1 1833699633 GTVWVSPRDZIGFY-XMMPIXPASA-N 469.542 0.952 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835346842 WQCHIDOIGGYJIE-RUZDIDTESA-N 484.553 0.852 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(OC)c3F)CCO2)C1 1836237163 KEDUBEDKMILSRD-ZHRRBRCNSA-N 451.495 0.872 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837093914 GKQVTNHJJDAGSQ-DEOSSOPVSA-N 456.543 0.598 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837382373 XZUSLEAMAXQGDJ-OYHNWAKOSA-N 477.949 0.989 30 20 JCED O=C(NCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1ccc[nH]1 1837440832 AJWMOXNYOOHWIP-OJLHXUGZSA-N 474.562 0.063 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837528312 GBYKINGTOHNYIR-AHAYYNSTSA-N 472.502 0.328 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837529122 PRZZRKYXHZFJGB-XROZVMNBSA-N 472.502 0.328 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1837529857 FHDHKOQXIGIFTC-AMGJAONMSA-N 495.573 0.905 30 20 JCED Cc1cnc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cnn2c1 1837563204 LJPRAEXWJQVXMQ-BKINLPNISA-N 466.498 0.820 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837836077 VFMBBGWXPOYVSQ-QGZVFWFLSA-N 461.496 0.283 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837837439 CEOXCAACEAEJBO-DTKOAWRHSA-N 467.910 0.729 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1838399517 PXSPCPXXMGNKFT-QFIPXVFZSA-N 477.602 0.835 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)[nH]n3)CCO2)C1 1838666456 URLHWFDGQCOBHJ-UZUQRXQVSA-N 475.546 0.705 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n(C(F)F)n1 1838712124 PUZNUWZIICYHON-NRFANRHFSA-N 468.505 0.939 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1n[nH]c3cc(Cl)ccc13)CCO2 1839046774 GOVDJJYKMLAPDE-OAQYLSRUSA-N 460.874 0.303 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1839130636 KHYUYXJSPBZUTB-YZZKKUAISA-N 467.563 0.520 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1839175199 UJAVTNNXGOBVJP-QHCPKHFHSA-N 460.531 0.799 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1839175448 KAUGFIFRYVAFEO-NRFANRHFSA-N 450.492 0.008 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1839224302 HTJZTGPGZPXQSE-HOIFWPIMSA-N 486.566 0.129 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1839227161 KUTNKUFEMZCVTQ-KSFYIVLOSA-N 463.535 0.796 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486244 OWNNFSVGHKQJSJ-HSZRJFAPSA-N 468.514 0.419 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839667998 UPRYKRIPCXCLDI-UUOWRZLLSA-N 488.541 0.166 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839693373 AAAILZZALNUTEP-RUZDIDTESA-N 486.569 0.349 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839837944 BGXQTHVAZGTMTG-PNLZDCPESA-N 455.552 0.541 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1840073093 IMKAWSOSUQADHK-GLYQVZKVSA-N 479.574 0.617 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1840108007 CHCIRKXGWJAZOZ-QZTZHPFYSA-N 494.589 0.438 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1)c1ccc(F)cc1 1840162676 FCTMGFHHIBDXSZ-FIKMYACPSA-N 453.536 0.778 30 20 JCED O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CCN1 1840227721 ZNFYBUKUWBBISV-JPYJTQIMSA-N 459.930 0.674 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)cc1C#N 1840763467 FVFMGKCWUBQIBS-MZLICYQSSA-N 472.542 0.138 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1840814827 IEXJUAPMCNYZSO-YTZAWJCFSA-N 492.573 0.364 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840818612 LWTXFXMGIAUGMU-QHCPKHFHSA-N 451.483 0.426 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840840971 WOEBVYYFHRGCLP-FDDCHVKYSA-N 465.547 0.492 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1 1840908603 CQPCIPNHQGPISV-FDDCHVKYSA-N 483.562 0.022 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)CC[C@H](N)C(N)=O)C3)CC1 1845137181 PVKDCXCBSUCDOB-INIZCTEOSA-N 476.578 0.323 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 549150039 LAWPLCXSKJJDQJ-UHFFFAOYSA-N 494.598 0.731 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)C1=O 588818082 KNQMXXKXNXMWLK-UHFFFAOYSA-N 450.455 0.996 30 20 JCED CN(CC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)S(=O)(=O)c1ccc(C#N)cc1 603445944 LOUOHYJRWMQTGK-UHFFFAOYSA-N 486.579 0.593 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(C3CC3)c2=O)c1 603996352 AQAUPFZOMRWPDP-HNNXBMFYSA-N 457.552 0.924 30 20 JCED Cn1c(NC[C@@H](O)COc2ccc(I)cc2)c(C#N)c(=O)n(C)c1=O 608973369 LVVYXVZYLMKWCF-LLVKDONJSA-N 456.240 0.412 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCc1cccnc1 609038603 SSPGUFBUWLGAIQ-UHFFFAOYSA-N 469.592 0.968 30 20 JCED NC(=O)c1c(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)sc2c1CCC2 821699857 QDOHSNPHVNHYDC-UHFFFAOYSA-N 462.509 0.556 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(Cl)cc3)c2=O)cn1 839225334 UYGCXLLYBQLUKC-UHFFFAOYSA-N 455.927 0.648 30 20 JCED CCCN(C(=O)[C@H](C)OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 853707464 JLJJVKZRQSBTKS-JKSUJKDBSA-N 499.611 0.863 30 20 JCED NS(=O)(=O)c1ccc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 915290774 PYNRRMRCCCTWQF-UHFFFAOYSA-N 491.595 0.502 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(CC(=O)NCC)CC1 918087974 UXIRARJWQSVPBK-SFHVURJKSA-N 463.604 0.954 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(C(=O)NC2CC2)c1 918872380 KQUKOLWDUOADAU-UHFFFAOYSA-N 470.507 0.477 30 20 JCED COc1c(F)cc(CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1S(N)(=O)=O 1296472044 LJFHWVITTRQNAU-UHFFFAOYSA-N 450.496 0.287 30 20 JCED CCOC(=O)c1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)nc1 1306334655 XYHMWKBOZIWDKY-UHFFFAOYSA-N 457.512 0.757 30 20 JCED CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)NC)cc1OC 1314179932 WSMKPYHXPSSFNT-OAHLLOKOSA-N 450.521 0.630 30 20 JCED CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCOC1 1315279472 YFKPUYDWPIPGRI-XMMPIXPASA-N 483.573 0.744 30 20 JCED COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1=O 1316123746 STVMHAHJTPRGRZ-RBUKOAKNSA-N 481.557 0.925 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1CCN(S(=O)(=O)C(F)F)CC1 1456443710 MYWQZGBJSXEKRD-UHFFFAOYSA-N 450.489 0.106 30 20 JCED CCCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1501207461 IKBRFQPZADQMJL-GOSISDBHSA-N 471.587 0.905 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507854716 PKCKEUGZXFTGDF-UONOGXRCSA-N 467.017 0.645 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCOCC1 1696826875 MZNNUTPCEUWVMG-UHFFFAOYSA-N 461.592 0.913 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760374637 UQFHBQMAAGPAQE-OAHLLOKOSA-N 497.043 0.224 30 20 JCED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)F)CCN1C1CC1 1770746346 CQVRZKFLKIPPEW-AWEZNQCLSA-N 459.461 0.483 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777887879 KCBJQLTXZGXIGB-MHECFPHRSA-N 454.527 0.950 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1778381800 AKSIVCRSKXCUQT-XMMPIXPASA-N 462.510 0.954 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(C#N)cc1)C2 1779197045 FCYIOIFXJXQORQ-RZFNWQHOSA-N 458.515 0.679 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c1Cl 1780097566 VTSLXDPJVPNQFO-XCGNWRKASA-N 473.917 0.937 30 20 JCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1781089079 XLLGNFDITVYACA-NLFFAJNJSA-N 453.587 0.957 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCN(C)C3)C1 1781429439 ZZXWEZSGPGBCOS-SNYIIPAISA-N 457.575 0.884 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1F 1782017269 FWMZQAROUFEYTQ-DYESRHJHSA-N 466.487 0.445 30 20 JCED CC#C[C@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2)c1ccc(O)cc1 1782257665 VZISDSOBOODTNK-NYUJMHJJSA-N 496.564 0.955 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN(C)C(=O)C(=O)O)C3)C2)cc1C#N 1782750377 IXPRNIOIBWXRBM-HSZRJFAPSA-N 472.498 0.332 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C3)c1 1782972863 IOONDDPCRJVJQY-LSRZYVKLSA-N 470.526 0.984 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783180406 VPVIMFRKRYDPDK-ULYRPOKDSA-N 450.536 0.258 30 20 JCED C[C@H]1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CN1C(=O)OC(C)(C)C 1783568588 IFSSZEKVZHLQSL-MFEFFIJZSA-N 463.531 0.940 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1)C(C)(C)S 1783777336 BAFYFYYSTTVIOP-VKIFBMEASA-N 484.619 0.697 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783781570 KJBJOXNXTDOMSO-GZWGPKMKSA-N 486.635 0.943 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783896944 FMADTFPHIMJHDB-YRVVQQKDSA-N 459.565 0.591 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1)c1ccc(O)cc1 1784018051 FKNSDHCEFJQMTD-DRMXPCRNSA-N 456.543 0.312 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)[C@@H](O)C1 1784379704 NEPHXWIYBDLJMZ-SXYSDOLCSA-N 475.586 0.997 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C)nc3OC)[C@H]2C1 1785866299 AQIGBQYIDAHEPV-DKKFBQAASA-N 489.573 0.939 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4CCN(C)CC4)[C@H]3C2)c(C#N)c1 1786730350 FUYVVDWDUXVPEF-OYDLWJJNSA-N 483.613 0.727 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(n3)NC(=O)CC4)[C@H]2C1 1787265257 MUDFPUVAXNJFPC-UKKVWMJBSA-N 467.526 0.418 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1787468639 PUNTWXGUSIXITE-NXOAAHMSSA-N 450.536 0.810 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788660807 NTIMOGGZVWTDGU-LVRXCHDOSA-N 484.550 0.338 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789957277 ORCZQWYAXJXEMN-MKFRZFLASA-N 462.551 0.238 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1C(=O)OCCO)C2 1792566641 OKUUDYWJZWQDTP-BZYLRBNYSA-N 455.511 0.946 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1797703730 COIIAQIOMHGBSJ-ROMHJBHXSA-N 495.617 0.767 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1799393773 OJCOZLOSCJKTRK-UYTYNIKBSA-N 469.583 0.619 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-] 1799819127 DVPCVMJKIYEWLW-IBRLJDPESA-N 486.481 0.443 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@@H]1c1cccnc1 1803552485 GESBBBCXYLLTLU-HGHGUNKESA-N 467.482 0.896 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330796 YPHNHWNXISRMQK-NUJWETOJSA-N 486.514 0.629 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1815670627 DHRLYABBDOLDSB-MNOULKQQSA-N 476.559 0.844 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=N/O[C@@H]4CCCCO4)sc3C2)CC1 1819902240 MZAUJSNXUDIGAR-JVKJESJWSA-N 492.602 0.748 30 20 JCED Cn1cnc(C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCN3C(=O)OCc3ccccc3)C2)n1 1828804193 GRWDSADMPXBKGU-JOCHJYFZSA-N 451.487 0.794 30 20 JCED Cc1cnc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)cn1 1829332163 AOXQZWNJNGSQDU-RUZDIDTESA-N 491.504 0.939 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1829334263 GTLCUFCAVKXJLV-DVECYGJZSA-N 469.494 0.563 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829713350 LXIHJKCJDOPZTG-XUYQLWACSA-N 470.592 0.021 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1829903543 XQGJHSYUZAMZJE-LLHPUKMZSA-N 452.555 0.897 30 20 JCED COCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(OC)cc4C#N)C3)C2)CC1 1831379009 LCUHRORSKAJNFI-XMMPIXPASA-N 457.527 0.992 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1831998750 SHYSLAMGQUFOCG-GAJHUEQPSA-N 493.561 0.846 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1832000262 JTXSVFWJRBWNKY-MBSDFSHPSA-N 465.547 0.891 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1832052737 WKQMFWJDRTVHRT-WZONZLPQSA-N 473.530 0.966 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832247752 PUQJTADZIAYIRE-OAHLLOKOSA-N 458.430 0.717 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832531374 OOEZTWXCQKACHI-IQGLISFBSA-N 483.521 0.167 30 20 JCED COc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1832916167 JVNOQEBDJSKQOX-QHCPKHFHSA-N 453.499 0.993 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3c(F)c(C)nn3C)CC2)CC1 1833073808 IECDISXGVYDCEI-WAYWQWQTSA-N 460.554 0.911 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)CC2)CC1 1833075524 WMXSQSHHJJLUAQ-DPLTZYNFSA-N 485.629 0.817 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C[C@@H](N)c3cccnc3)CC2)CC1 1834761831 NSIOJMCKXRCEHF-QJKPHDSHSA-N 468.602 0.902 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CC1 1835405309 VAZAVSWHEDWHGU-RUZDIDTESA-N 469.586 0.460 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1835677623 SGOSJASRXQXYLU-QHCPKHFHSA-N 454.531 0.915 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)n3ccccc3=O)CC2)CC1 1835823534 ZBDCNSBVZJPSLX-FQQSSWHASA-N 469.586 0.839 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836684634 GEUZKEMCOAVBCP-QPPBQGQZSA-N 456.543 0.648 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)ccc1F 1837275243 OHONIOUHJYCGBL-QFIPXVFZSA-N 471.493 0.029 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1837401390 YVWFLTDTUJTSIO-NTKDMRAZSA-N 475.542 0.901 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1837403067 HMAUPQZMOKCDGR-OFVILXPXSA-N 472.586 0.413 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447404 MUBSSSMVNRSMEI-RZZUAFPKSA-N 460.579 0.508 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nc2nccn12 1837492890 YXCHFKIDLRRBAE-VWLOTQADSA-N 481.553 0.806 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837503701 XVHSEKXPLKAJNB-XUZZJYLKSA-N 487.509 0.432 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1837524972 KFRJWOPHSUIACP-XUYQLWACSA-N 470.592 0.021 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1837562737 OPLJKWUNOQCUHH-AMFJNGDOSA-N 470.482 0.635 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)N1CSCSC1 1837572762 QCZAGBLUTYKHFT-DTXYYNOZSA-N 485.676 0.958 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1837841693 ICZPZMJZMKZOHV-FQEVSTJZSA-N 462.591 0.276 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnncc4C(=O)O)CCO3)C2)c(O)n1 1837944658 NLYDOZOUIINLKF-XMMPIXPASA-N 497.508 0.778 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907526 XIGXLXIKLGLEIU-XDHUDOTRSA-N 478.509 0.237 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)CCO2)C1 1839083334 QLWRYRVNGFQPGH-GLDPYIMESA-N 475.590 0.126 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839085492 IVFOUVQOPFBESX-WOVHNISZSA-N 496.564 0.794 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3c(C)cccc3C)CCO2)C1 1839156000 UIJDKDUQBJFJDL-YADARESESA-N 457.527 0.737 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1839173200 DYAUZMHWYVPGJR-MTNXOHHFSA-N 452.548 0.751 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)ccc1F 1839188169 OANVEOBGCAQZSZ-DEOSSOPVSA-N 483.500 0.825 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839194308 FSUBOIPKUKNKDT-FDDCHVKYSA-N 485.578 0.311 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1OCC1CC1 1839397840 MUQSBSMFAHBRAN-XMMPIXPASA-N 472.494 0.642 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(N5CCN(C)CC5)CC4)C3)C2)c1 1839452907 CXDFPTBGTXKXMH-RUZDIDTESA-N 481.597 0.717 30 20 JCED CC(C)[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840044412 WULHOESSLDYAMN-UZUQRXQVSA-N 481.546 0.470 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1840712839 VJVQSMPZWGHOGW-PMAPCBKXSA-N 492.598 0.711 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1840818433 BUGLKWJGPJPXLI-HSZRJFAPSA-N 481.465 0.195 30 20 JCED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cc1O 1840818655 OGFRMEKXBAFNIH-JOCHJYFZSA-N 455.471 0.146 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)CC)C2)C1 1840909468 SUOVAOGDBIEQKM-KSFYIVLOSA-N 451.520 0.339 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1841055960 JGAZJCZZOALNMN-YLNCNTMDSA-N 462.547 0.420 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1845210005 QQXYNLFHVPOJFX-RTBURBONSA-N 471.558 0.654 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1846282528 SXLXGYQGQINGSQ-KRWDZBQOSA-N 458.515 0.508 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 16559565 XHDKQFVLIJZARQ-UHFFFAOYSA-N 476.511 0.287 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c1=O 500524171 VEFRHJXSYQOLCX-UHFFFAOYSA-N 460.512 0.892 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 514464194 YUECOUUQTXWLBF-UHFFFAOYSA-N 477.564 0.810 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 522538618 NTHRUCJVWUVFSW-UHFFFAOYSA-N 481.515 0.773 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(OC)c(F)c1 522624229 IRODTLYLGQFDEH-UHFFFAOYSA-N 460.512 0.769 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccc3F)c2=O)cn1 523863068 MMQMPJYERFUSIP-UHFFFAOYSA-N 496.568 0.206 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C1CC1 590998807 YGVCCRSMFRHSIG-ZDUSSCGKSA-N 473.551 0.925 30 20 JCED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(N)=O 608911198 QZCPQFJEBKCIPF-UHFFFAOYSA-N 486.506 0.583 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 608912475 XGOZPYRCQRCFCP-UHFFFAOYSA-N 493.501 0.844 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c1=O 838254594 DODVYLXDOJEDPR-ZDUSSCGKSA-N 455.536 0.670 30 20 JCED CCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919472813 VYMYTPGTVUWOKL-GOSISDBHSA-N 476.555 0.725 30 20 JCED CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1541406013 WRWDLQIHRYBGGK-OWSLCNJRSA-N 468.580 0.401 30 20 JCED COCCN1C[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)CC1=O 1555571526 GPIXQJNPYVCQNB-HZPDHXFCSA-N 467.596 0.513 30 20 JCED CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 1628711293 VZEGNSRRJWFSKU-UHFFFAOYSA-N 459.509 0.953 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690346163 MJFKNOOCRQJCFB-JKSUJKDBSA-N 455.972 0.540 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1741105695 ZGIYGLJOIPBBMU-INIZCTEOSA-N 465.436 0.837 30 20 JCED CC(C)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1750548570 NBMYXAIIUVDUPN-UHFFFAOYSA-N 481.557 0.892 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1768464513 QUQCJBDLGHEXIK-UHFFFAOYSA-N 480.573 0.309 30 20 JCED COC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1769258898 RRQVYCKKLFFEPY-GOSISDBHSA-N 454.535 0.655 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1770362231 XRMKMWGGTAZWII-FQEVSTJZSA-N 489.602 0.579 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778866586 HCQXUGVPTAICJW-NZQKXSOJSA-N 455.515 0.833 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)cc1 1780408091 FIJMXJIPZYVQJF-WZONZLPQSA-N 461.482 0.731 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CN)C3)CC1 1780687364 CGAIDTHPZZCDLC-HOOSLVGPSA-N 492.621 0.327 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1C(N)=O)C2 1780736568 GMHOZOAGHJWIDJ-UZUQRXQVSA-N 458.515 0.817 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781791524 GFNGTRTZCAXVMD-ZJSXRUAMSA-N 464.526 0.667 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)NC(=O)OC(C)(C)C 1782015274 DNYQBLQPVCLDGA-CKNGIIGNSA-N 495.529 0.045 30 20 JCED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C[C@H]2C[C@H]21 1782017966 XZPHTKPDYHGXGE-SRBLKJDUSA-N 475.542 0.986 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1783504897 VJUCMNYPUQARAA-HNNYQGJMSA-N 491.585 0.737 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783779968 OPFHFQQQLGGJKW-VKIFBMEASA-N 486.635 0.930 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1784012378 SBGAEDBQDUZZEC-PPIYXURKSA-N 490.557 0.900 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784086687 NKTKIHMLHNECBM-KKSFZXQISA-N 471.576 0.427 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)N(C(=O)OC(C)(C)C)C1 1784090079 KCMFWVOVDOKOMH-DGGJZMOXSA-N 462.547 0.661 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1784196891 TZXLUIRWIIHUOG-NXOAAHMSSA-N 450.536 0.546 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)[C@H]2C1 1784786388 GVCPJFHUAUPOLW-HLXURNFRSA-N 481.590 0.933 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COCCO)CCO2)C1 1785596299 JCEXVLZSJWRBNX-URZJWIJPSA-N 453.536 0.295 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccn3C)[C@H]2C1 1786167921 WYRJQKNCAMDMNJ-XSLAGTTESA-N 459.547 0.930 30 20 JCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C[C@@H]21 1786369604 IVEFQQZKFIJRQS-IHPCNDPISA-N 476.555 0.214 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC#N)[C@H]4C3)CC2)CC1 1786702922 ZJCUKJBZRJMXSC-PMVMPFDFSA-N 473.618 0.993 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1788171748 LFVDHEBETUDWTP-PNKHAZJDSA-N 481.521 0.649 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C[C@@H]32)CC1 1788248694 OTFDWUBZLZQJHJ-VCOUNFBDSA-N 493.568 0.192 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc4c3OCO4)C[C@@H]21 1788660318 ISYYVYKXDUXSNU-AETZYUFPSA-N 460.487 0.933 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)[C@H]2C1 1789911751 DEZYLEOPSVOUAC-UITRFSOLSA-N 457.593 0.968 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1792261243 DGLXLZNSGAIKLD-DWRORGKVSA-N 488.541 0.596 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792279370 SWEAQDPLMKAXJZ-OKYOBFRVSA-N 493.605 0.721 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NC(=O)OC(C)(C)C 1793624406 KHYJBMXWDOZJJS-WJWHXZEHSA-N 464.563 0.738 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(N3CCCNC(=O)C3)n2)c1 1794507031 ZPVKFKQKWDHLQR-IRJINJETSA-N 488.548 0.797 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1795598017 UKPWKYACLSEIBH-RMFSNUHRSA-N 476.599 0.722 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1795601218 VCUMHQAOOZVUGX-KOUHRCEDSA-N 452.559 0.624 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)n1 1796719201 SPOVPVPDTRTDQJ-XOIINTDNSA-N 460.491 0.483 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C[C@@H](F)C1 1797208551 PDOMUZFGBGKNCI-DBDOFBCQSA-N 467.494 0.259 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)NC=O)N(C(=O)OC(C)(C)C)C1 1799294917 KCTLNHJDTYXBIE-DFBDCSAJSA-N 450.536 0.276 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC=O)C2 1799322820 PMMROIASNOWGQA-JCECYMMASA-N 452.552 0.570 30 20 JCED COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](S)C(C)C)C2 1799383668 BZFQDWOKJFLGOC-YHELAOLJSA-N 476.636 0.617 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc3c(c2)NC(=O)CS3)c1 1800037454 BSBWRCASTRYHQS-ZSBFGKGUSA-N 452.496 0.843 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(-n3ncc4ccccc43)n1)C2 1800772950 BDEONPVKSYOWLX-YVWYUNDQSA-N 465.491 0.773 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C1 1802084286 GNFGQJNQQZZJNY-XMTFNYHQSA-N 465.547 0.999 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)COc2cccnn2)[C@@H]1c1cccnc1 1802499919 WVIFUFLDKYYWFZ-ADWLJLTJSA-N 450.499 0.815 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1804193592 CRLYPGYJTNFWJN-QKQINCMDSA-N 490.630 0.290 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1804376545 NQDBKZCUACTQIJ-FZKCQIBNSA-N 464.519 0.084 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807023963 ZTDAHWRCBKBMRT-WMZOPIPTSA-N 466.479 0.094 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC4(CCCN(C(=O)CC[C@H](N)C(N)=O)C4)CC3)c2c1 1809823294 HKCXREJSPFPFKJ-KRWDZBQOSA-N 451.531 0.872 30 20 JCED Cc1nn2cc(CC(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)nc2s1 1812873861 HGXFGIODQOQHNA-YWZLYKJASA-N 452.496 0.831 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1814207188 FKSMEDAATQDZFF-UWVAXJGDSA-N 482.541 0.880 30 20 JCED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)c1cc(=O)n2[nH]nnc2n1 1817815444 DHQVUBFCFPOBPF-NGZBARDMSA-N 467.494 0.313 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CS(=O)(=O)N2CCCC2)CC1 1823744130 NFSOZKMSXWFUMO-GWQNQTGSSA-N 480.631 0.890 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)C[C@@](C)(O)CC(=O)O)sc2C1 1826068321 IEIBORMXXKYZJE-MPBGBICISA-N 451.549 0.953 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3ccnc3)C2)C1 1829332172 AVEAINFQIJBVAP-XMMPIXPASA-N 479.493 0.423 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCN2C(=O)OCc1ccccc1 1829408202 WSNSJJKDKNZXCQ-NTKDMRAZSA-N 469.494 0.563 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1829771248 NGKGENMUBQYOFI-VRWDYKOXSA-N 478.509 0.363 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829903943 GDOOIZUKJGDCGL-UUOWRZLLSA-N 464.526 0.848 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1830472712 RXNPETLBERTQHM-QFIPXVFZSA-N 457.918 0.830 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830886739 ZRTRIVYTBGOCMD-YZZKKUAISA-N 469.579 0.931 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1ccc(F)cc1 1831218633 YGEJGIFQBCIDJO-VWNXMTODSA-N 457.502 0.873 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1831391883 XBLGOJXVJIRJMX-XXBNENTESA-N 478.567 0.345 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CCC(C(=O)OC)(CC3)CC4)C2)C1 1831393574 YHEYPBRTWPAVEJ-QNLJNHSHSA-N 476.570 0.995 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832190653 HHKPPSMQXWHQJP-RJXGFELWSA-N 455.405 0.872 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832729859 OINDJDADQMXDDJ-JTSKRJEESA-N 461.519 0.069 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncc(OC)c3)CCO2)C1 1832916328 POXORWFAFDHIFN-DEOSSOPVSA-N 475.542 0.989 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833272157 UULQERVWJGKTLZ-XLIONFOSSA-N 480.606 0.482 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccnc3CS(C)(=O)=O)CC2)CC1 1833463201 BQOOFIKYOCWLEA-SFHVURJKSA-N 490.626 0.850 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833840289 LMXLNYHXIHAQJY-KSFYIVLOSA-N 478.550 0.355 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835110860 ZCPWUYKVIHSTJO-RKVPGOIHSA-N 465.620 0.952 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)C3)C2)CC1 1835346434 ANVRGIJXVZFMIN-WATLYSKOSA-N 468.554 0.382 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835435350 SMLPOBAQZIORIO-HXOBKFHXSA-N 482.578 0.391 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642055 GXDVVDLIWYMTRA-YZZKKUAISA-N 468.595 0.897 30 20 JCED N=C(N)SCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835648421 VWKSJJIHDGVMMX-WUUFJKRQSA-N 466.585 0.960 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1835677120 IXSZFGNMBQQSKM-HSZRJFAPSA-N 458.515 0.767 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1835682239 CVYDYZPJJNNCIU-RUZDIDTESA-N 483.569 0.923 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835765475 KNKSHZFHUBOOKX-SDHSVNELSA-N 451.568 0.599 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c(C(F)(F)F)n1 1836321887 OTTLDIABBWYURR-OAQYLSRUSA-N 495.458 0.664 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(C)nc3sccn13)CCO2 1837140898 KPJJZQLTWXUBKR-QATSOJGNSA-N 473.555 0.633 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1837560188 RVQNHNKJMIZFEB-YFVWZTGESA-N 486.569 0.946 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1)c1ccccc1 1837611730 KHESNQSKLMRIAK-AMGIVPHBSA-N 493.560 0.955 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1837869372 MWDUUPNMYNMDIH-UHFFFAOYSA-N 460.583 0.600 30 20 JCED CN(CC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)C(=O)C(=O)O 1838404158 MUCBGWRNQMVOIN-RXULLKCLSA-N 482.534 0.057 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)CCO2)C1 1838483689 NNEBGJWNBHBLMN-JLCFBVMHSA-N 457.556 0.959 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)C2)c1 1838734832 MLRYGTPPUIYLNR-QHCPKHFHSA-N 452.467 0.928 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826995 LFVMSHXCSFZQEK-JOCHJYFZSA-N 460.487 0.692 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1839085695 LGEWFTOVNNKMCY-MIVHDCIWSA-N 478.546 0.381 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ccccn5n4)C3)C2)c(C#N)c1 1839131808 AKAQVVOPLQLOSY-VWLOTQADSA-N 490.520 0.922 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839157920 FFAGNOSIAYIIBB-PNLZDCPESA-N 468.551 0.047 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839224486 KGFKHPHZIMFKGG-HRAATJIYSA-N 465.507 0.569 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c(Cl)c1 1839425135 NWNCFOTUDFOEEB-OAQYLSRUSA-N 458.906 0.963 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839486368 UVRCXASYBLQBIQ-OAQYLSRUSA-N 482.526 0.712 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4Cc5[nH]nc(C(F)(F)F)c5C4)CCO3)C2)CC1 1839738341 SMZOHWQZJGDQOG-XCLFUZPHSA-N 467.448 0.903 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1)c1ccccc1F 1840162791 HQGYKEJVFDMLMM-ITEAAPOESA-N 467.563 0.952 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251534 JKZZBFSJPYOIKE-YIGJPRQDSA-N 494.589 0.533 30 20 JCED O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccccc1 1840800503 SVPYRVVSITWUNA-IAWFGPOKSA-N 482.537 0.975 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1840840807 OVGRILXYUIDBFK-HSZRJFAPSA-N 467.563 0.788 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840908373 KSVMERUKHGASTH-MBSDFSHPSA-N 490.561 0.041 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1841431160 WXKOJRUJFXIADP-QOEQQYGESA-N 468.551 0.995 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842921665 KEICKONQXBNPOB-INIZCTEOSA-N 479.578 0.928 30 20 JCED C=C(Br)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843350400 MURYEXFHXVIGMT-KBPBESRZSA-N 474.400 0.668 30 20 JCED C#Cc1cccc(N(CC(=O)NC)C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 109883183 BRIIIMOGELCNSH-UHFFFAOYSA-N 457.556 0.890 30 20 JCED N#Cc1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)oc4cc(S(N)(=O)=O)ccc43)CC2)c1 502259688 QTQIQIXUOQAKQK-UHFFFAOYSA-N 483.506 0.991 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 502947700 WECFPQLMCAJCAW-UHFFFAOYSA-N 486.550 0.878 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 511265724 MDESCXPDLDRNPF-UHFFFAOYSA-N 484.538 0.261 30 20 JCED CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 516483656 PBDQFUSVCHYXAT-UHFFFAOYSA-N 456.528 0.927 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCSC)C(=O)Nc2ccc3oc(O)nc3c2)C1=O 517848086 IFKRGIDYHCFJML-LBPRGKRZSA-N 475.483 0.687 30 20 JCED Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)cc1S(=O)(=O)NCC#N 518216319 KGIVBRIYZFVLMH-OAHLLOKOSA-N 454.599 0.887 30 20 JCED COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 519879145 BUXNQBSUNIFRIH-UHFFFAOYSA-N 478.509 0.722 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 522275793 YMIBCUFKLPRMSB-UHFFFAOYSA-N 473.551 0.364 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434354 CGMAUQNESQLLSH-UHFFFAOYSA-N 488.522 0.655 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCS(C)(=O)=O 730801746 JPZXWOIQFGDMTJ-UHFFFAOYSA-N 499.561 0.278 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2SCC(N)=O)c1 746138412 FGYZULJTYOWYMU-UHFFFAOYSA-N 462.509 0.596 30 20 JCED N#Cc1ccc(CC(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 750250364 PBQKQESSFWQPCW-UHFFFAOYSA-N 457.508 0.981 30 20 JCED CC(C)(C)C(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 915016896 YFEMWBAQNVWMQC-SFHVURJKSA-N 490.582 0.971 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(=O)N(C)C 918730198 QVEKVILEMFNFFY-UHFFFAOYSA-N 458.588 0.369 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCn2ccccc2=O)CC1 919255642 STSQKZMOKVRRJS-UHFFFAOYSA-N 458.496 0.186 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2COCCO2)C1 1302479241 LQSXWRJMVRWFPJ-IAGOWNOFSA-N 454.553 0.156 30 20 JCED CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315073342 VJBFZYUZUYOZPO-UHFFFAOYSA-N 467.559 0.406 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1360708164 RIKBWORGAVONSB-MAUKXSAKSA-N 473.607 0.574 30 20 JCED COCCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 1459894159 OLXOEIHWJDFGQQ-UXHICEINSA-N 452.552 0.670 30 20 JCED CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1503705642 YDHXXVNTYIEGNW-MRXNPFEDSA-N 452.519 0.715 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1 1589404859 MTRZFVNAOLPMOM-LSDHHAIUSA-N 491.412 0.040 30 20 JCED CCOC(=O)C1([S@](C)=O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1627828296 OWSJRPWHMWCESL-ONSXPEOJSA-N 455.558 0.528 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3cccc(OCC#N)c3)CC2)C[C@H](C)O1 1631581759 MWQSBEHBYUJYIH-IRXDYDNUSA-N 451.549 0.770 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC2CCOCC2)C1 1698314005 UJBQQKSXGAWSKK-ROUUACIJSA-N 468.580 0.547 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C 1705689096 YDAHMTMPSOLZMR-STQMWFEESA-N 450.359 0.745 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@]2(CCOC2)O1 1726725581 MUNXMCBSXKLTHS-HRAATJIYSA-N 476.559 0.662 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C1 1778082559 UTGQZHMTKANZHH-OVSVCJTISA-N 466.604 0.876 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(C#N)c2)C3)CC1 1778912294 XODIUSVCSWNGRX-RCZVLFRGSA-N 467.570 0.850 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1779106607 LQXQKGLHADWKBO-XTSMJKTBSA-N 477.474 0.115 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnncc1C(=O)O)C2 1779423430 NUVAEMDHZVAQEN-OZKBXORBSA-N 475.502 0.831 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1781049233 HFTZZTVPMAQWTM-TVTNDZMWSA-N 461.519 0.857 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781090135 LMAZGKVLXGSFIF-OHUGHZGNSA-N 493.649 0.922 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO3)c(C#N)c1 1781173881 XLHVJHZULQVJJY-XUZZJYLKSA-N 487.509 0.434 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781354863 JKTSGBVSOGFRQX-UZUQRXQVSA-N 483.562 0.601 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1781696648 KCYQVFRUMDMIMS-FOTFPPMPSA-N 469.538 0.906 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1781852469 BIAWGWVEAAYRQW-CVDCTZTESA-N 458.515 0.774 30 20 JCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(Br)cc(F)cn4n3)C2)C1 1782559756 FFYPCLSRVFZWEI-QGZVFWFLSA-N 451.256 0.988 30 20 JCED CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564812 APBIAAVJKKMIHH-QXATTWAWSA-N 451.520 0.844 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783565382 SIZHRIGYYJAQRU-GAJHUEQPSA-N 463.531 0.942 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1784438855 NICXDRYPWRFNKJ-SEVLPDGMSA-N 476.599 0.798 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1785573470 XALVONAAMRQIIB-AOMKIAJQSA-N 461.519 0.667 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=N/N5CCCCC5)[C@H]4C3)ccc21 1788600970 NYXOQEBTOGDAGR-CWWCBOJOSA-N 482.585 0.942 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788602211 OWQRPEGGBBUJGR-MZRYVQRASA-N 481.594 0.323 30 20 JCED CC(=O)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)c1cccc(Cl)c1 1789708665 UHGBPHQMHMKSQL-QUJKESNLSA-N 461.902 0.585 30 20 JCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOCCOC)C[C@@H]21 1791270552 COQOQTAJWUWCJH-FKBYEOEOSA-N 468.591 0.856 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1792452611 WZOXKLKUYUCUFR-BOQPXBONSA-N 481.590 0.785 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1792569284 GGKQKOYVSYIRGA-CDLJRSQUSA-N 492.573 0.939 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1)[C@@H]1SC(=N)NC1=O 1792832437 MLTQQHKQIJKWRJ-HIHRSEIJSA-N 469.567 0.883 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)C2 1793354443 VUJQHOVUYWLGPA-UYZIEWPDSA-N 473.574 0.882 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(=O)O)ncn2)c1 1794368745 OOOUZFQSMSRGQU-CCWDJLKJSA-N 451.439 0.572 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)nc1 1794426218 UPDLCKGHIBZXPY-OPMZPASUSA-N 453.520 0.740 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOCC2)C3)c(C(F)(F)F)n1 1795994868 IDYOXUAXCAOUKE-CCWDJLKJSA-N 481.475 0.898 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1797809017 YAEJMFYPLSVJGS-YWVHXVHDSA-N 469.388 0.460 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799195597 DMMMSWNHCBLCBO-OYNZLANYSA-N 469.604 0.723 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2 1799322412 JIINEMVSBDGDFX-YYAJDYIMSA-N 452.552 0.701 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1799325266 ZNLGNXXBZCCFID-BFMVXSJESA-N 478.590 0.962 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1799354292 XCKLSSIZBKJJKR-WSYJELTKSA-N 478.546 0.564 30 20 JCED Cc1cc(O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1Br 1799743692 SBAQEGMLUFMRDM-KSPBDQMDSA-N 451.273 0.754 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800298463 QWDWTISXSKVUBB-SPHOGXRMSA-N 483.613 0.493 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C3)C2 1800326929 YJKPXOSQQCUGJW-BMFAXAFESA-N 469.542 0.906 30 20 JCED COc1ccc(Br)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778915 WHVBSPITYIKUCZ-KSPBDQMDSA-N 451.273 0.749 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)n2cnnn2)C3)cc1C#N 1801851024 WESAGXJROQBQRC-DEYWJSPQSA-N 453.503 0.796 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)C2 1802020968 MHGIJUNIVGMHRF-HGKCTWBKSA-N 472.546 0.645 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1802126868 NPRCVCUAEWQBNP-YYIAUSFCSA-N 483.529 0.244 30 20 JCED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[C@H]2c2cccnc2)CC1 1806858790 MYUGHKOZZGRKMR-GNBUJSLZSA-N 496.593 0.571 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1812667928 JKUGLWWASFRPNG-XJKSGUPXSA-N 458.429 0.739 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812877885 BWNSGPXEYMIXDF-UWVAXJGDSA-N 474.514 0.715 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cnc3c(c2)NC(=O)CS3)[C@@H]1c1cccnc1 1812879385 DVXQUWPVPQEZOE-JLTOFOAXSA-N 465.491 0.928 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@H]3CCc4nc(NC(=O)[C@@H](O)N5CCOCC5)sc4C3)c2c1 1819892013 ZAXWWNGDNYYKQC-YEJXKQKISA-N 481.538 0.767 30 20 JCED CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)COc3ccccc3C#N)sc2C1)C(=O)C(=O)O 1828033227 NYEYTPZIZRLHGB-CYBMUJFWSA-N 471.495 0.549 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1829263373 YCPVZMYXZZSRGW-LSRZYVKLSA-N 497.577 0.874 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830464939 YLOWOUPYOXHHHG-JOCHJYFZSA-N 463.556 0.382 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CC)CCO2 1830526304 UEZVUZJEJRJGJK-GLDPYIMESA-N 481.590 0.911 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C(C)=O)CCO2 1831132589 BDUWKDTYPWJLTE-KOSHJBKYSA-N 479.574 0.975 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1831396093 HTGMZEIRYDGAKM-VFNWGFHPSA-N 453.442 0.352 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1831396280 ITWJBJLVAFMCHW-GAJHUEQPSA-N 453.499 0.580 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831420963 AVQHOLRIGROVCO-YADARESESA-N 474.558 0.579 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1831491469 DCORUNOQMXLLPS-LAUBAEHRSA-N 452.577 0.949 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832004724 LNJAPUJQOREAEI-GLDPYIMESA-N 495.573 0.117 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)n3ccccc3=O)CC2)CC1 1833075068 NENAGXOBVAGWNT-QULHZPMSSA-N 469.586 0.839 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833788366 HIWYAMTWRNGQKE-HXUWFJFHSA-N 452.895 0.709 30 20 JCED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1835245384 QUXAHJKDBJHPCF-HSZRJFAPSA-N 461.515 0.229 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1835682930 YMRMIJDODSLVDS-QHCPKHFHSA-N 472.521 0.825 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)cc1 1837275291 RURYCHWOMRZBIL-QFIPXVFZSA-N 453.503 0.156 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1837397851 WUVBYSVEIGQKFV-RDPSFJRHSA-N 460.527 0.987 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1837489558 MYHKLJWGNFAGJC-HSZRJFAPSA-N 459.499 0.261 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837529809 ZDVHFHLFIGIKOK-IQCWKEAXSA-N 472.502 0.557 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837968886 QSWFJATWOGPVNS-LJQANCHMSA-N 489.577 0.588 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1838604664 DDLDLBHUESYAPC-QFIPXVFZSA-N 455.471 0.162 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)ccc1F 1839186623 GDWZOQDSSGNQIT-HSZRJFAPSA-N 454.458 0.643 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1839227525 GJJDYWGPPUJDFT-KOSHJBKYSA-N 473.574 0.641 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839390148 VJJVRFWOIFPQJZ-ZRQBUMDCSA-N 487.557 0.685 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c([N+](=O)[O-])c1 1839462153 KMLNBUXJBIUNNC-ZUOKHONESA-N 467.500 0.770 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839887783 QSDUYLIHOONOTF-IBGZPJMESA-N 451.430 0.716 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4c(c3)CCO4)CCO2)C1 1839998099 BGZHEQMWAFZTRR-VWLOTQADSA-N 470.570 0.902 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1840088314 YEVHPCRMJXLKIF-HYFFOGBASA-N 455.552 0.947 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)NC(=O)OC(C)(C)C 1840111728 HENNPBBEZLWJIK-MWTRTKDXSA-N 496.561 0.449 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1)NC(=O)OC(C)(C)C 1840796191 YRFRPCVWKGZICK-WZONZLPQSA-N 492.577 0.594 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)C3(O)CCC3)C2)C1 1840906908 LFGYIYXOKJAFQZ-YDIMBITNSA-N 493.601 0.911 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2)C1 1840916254 DYXILQKGITUHFL-VTJXTGGHSA-N 475.608 0.425 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NS(=O)(=O)CC)C1 1841580119 GVRNTHGDTLJHIG-JKSUJKDBSA-N 472.608 0.987 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)C1 1845106916 KIARHYFJODBGPH-OSKVOAQMSA-N 463.579 0.889 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CN 1847685048 XZJQQGYAWQMGAC-YRPNKDGESA-N 470.574 0.482 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2OC)c1=O 501771649 DMDKJSKKPVMEOV-UHFFFAOYSA-N 455.536 0.997 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccc3c(c2)OCCO3)c1=O 502041558 JAWIBLWZZQULDR-UHFFFAOYSA-N 463.519 0.529 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 502047657 WCZMYYXKHOTZBW-UHFFFAOYSA-N 451.508 0.431 30 20 JCED C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 505362015 JXINERQOSZNEGA-QGZVFWFLSA-N 461.588 0.770 30 20 JCED CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C1CCN(C)CC1 516832687 YWIXNVKSRZNCOD-UHFFFAOYSA-N 472.615 0.344 30 20 JCED COCCn1cnc2c1c(=O)n(CC(=O)N(C)C1(C#N)CCC1)c(=O)n2Cc1ccccc1 520721747 RGJCEEIHSFUDAI-UHFFFAOYSA-N 450.499 0.959 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 522536177 YBOKKGOECGRKEN-UHFFFAOYSA-N 496.495 0.638 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)N1CCN(c2ncccn2)CC1 726543954 LZWZIWADOBMDCR-UHFFFAOYSA-N 485.570 0.150 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccccc2CN2CCOCC2)cc1 727008339 NXZKPVMDQYPAPI-UHFFFAOYSA-N 450.495 0.980 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)c(Cl)c1OC 730439149 AIHYXQBLLBBDAL-UHFFFAOYSA-N 453.929 0.652 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c(=O)n1CCOC 838261931 PBESDGAJNRROKD-AWEZNQCLSA-N 457.552 0.917 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC[C@H]3CCCO3)cc2)c(=O)n1CCOC 838280527 PANRUYXGMQWOMO-LJQANCHMSA-N 469.563 0.919 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 918246993 YVMWHFYQEQEGNB-JCMHNJIXSA-N 499.596 0.463 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1296241629 RLFUUKPKVPZLOH-KKSFZXQISA-N 481.623 0.903 30 20 JCED CN(C)C(=O)CN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)n1ccc(=[N+](C)C)cc1 1318252532 IGJGAEFBPOVTPF-UHFFFAOYSA-O 478.620 0.592 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCCC1=O 1508426177 SWFUIUNKPZPCAE-MSOLQXFVSA-N 481.623 1.000 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H]1C 1619936834 TXKZQFMIAJXWSP-SFHVURJKSA-N 453.547 0.832 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccnc1N1CCOCC1 1692776543 RYYPQUNYMUGLRR-INIZCTEOSA-N 474.591 0.908 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1695596999 MPVJGJZNBDDMFR-UHFFFAOYSA-N 462.562 0.984 30 20 JCED CN(C)C(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1696587533 OPQQMYLPNNGCFM-BEFAXECRSA-N 453.569 0.219 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1723951516 AJSUCWVRBJDDSV-KNBMTAEXSA-N 482.680 0.502 30 20 JCED CCCN1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1728160132 XGLYXTQMSQACDY-RCCFBDPRSA-N 467.596 0.214 30 20 JCED CNC(=O)c1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1729652586 SSNJSMSDKZCZPP-APWZRJJASA-N 489.602 0.809 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4cc(Br)ccc4n3)C2)C1 1778619751 QDLCWDGZMQPBTP-LJQANCHMSA-N 461.272 0.628 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1778878696 KCQGCDOLNXEZSU-XDHUDOTRSA-N 484.557 0.032 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2 1779395125 IXYQIDILLRTGEJ-NFBKMPQASA-N 495.642 0.625 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)c1 1780170089 ZZDNZFCZPVVWPV-QFIPXVFZSA-N 485.522 0.476 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1781290835 JYOIFWZDWGQESH-OPAMFIHVSA-N 452.552 0.812 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)ccc1F 1782676182 DDQKXGDNJIBYNH-QFIPXVFZSA-N 455.446 0.644 30 20 JCED CC(=O)Oc1ccc(Br)cc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566397 ABSMLBAOTXIQSE-FQEVSTJZSA-N 479.283 0.906 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1784245851 QJRFBHFXWLBJEI-UGKGYDQZSA-N 460.556 0.892 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)cc1C#N 1785196230 QBBUHDGCZNZVHD-NRFANRHFSA-N 480.458 0.514 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786364150 SJDKTSZXEYKYHB-AQBJMCTPSA-N 464.563 0.888 30 20 JCED COC1(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)CN(C(=O)OC(C)(C)C)C1 1786367217 FSIUHMZXQMBGIW-ULQDDVLXSA-N 450.536 0.906 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)C1 1786698967 DPXSEQPDVWHXOL-CFLDLGCGSA-N 462.547 0.642 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786802643 PNPLPKWUOZATDQ-FKSLSLAPSA-N 495.621 0.418 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)[C@H]2C1 1787413339 CIPNPQPVGYEHEK-CMOCDZPBSA-N 453.587 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(O)nnc4O)cc3)[C@H]2C1 1789272652 OLYXKHUJLRVRBA-SMDJPQOOSA-N 496.524 0.130 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1790877940 NMAZPGDCYXGANJ-ULQDDVLXSA-N 463.547 0.849 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21)NC(=O)OC(C)(C)C 1792109064 RCXQXNDCFOGPAB-OVWQWFNUSA-N 477.562 0.702 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)[C@@H](O)C1 1792451846 REWWCGFGMUQXMF-ADHGMGHFSA-N 462.547 0.498 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)C2 1792484747 MOPCGIJJGIFYCB-KYKTVFGSSA-N 498.584 0.150 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792835400 RZXFBZFSSXZPJY-REGYPHIPSA-N 452.960 0.962 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795362680 OUKFPFKEVGQACI-XDRXCXCGSA-N 471.576 0.090 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1796334531 IWHCBETXALSBBG-ZSXDVEMLSA-N 465.547 0.250 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)c(C#N)c1 1796429636 ULCPLZBFBIRSNF-KQFONWOYSA-N 485.566 0.501 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797239992 WYGCKBZHFMGWTO-CQVUMHHCSA-N 491.633 0.293 30 20 JCED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1)[C@H]1SC(=N)NC1=O 1798495706 RTWXJLDQODPDOT-KCEBSUJSSA-N 451.549 0.956 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1799322964 VVJNALLULMBRNB-QSMSVPEVSA-N 466.579 0.158 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C(F)(F)F 1799367435 YLEHZSMZIJYNRA-HLPPOEQASA-N 465.469 0.970 30 20 JCED O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1800282559 GKOJLTTUJCVMHW-JXFQULDKSA-N 486.506 0.847 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1800944868 JFIMXJPTIPTEAF-YYIAUSFCSA-N 498.602 0.208 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2 1802140799 LDKVBKBUZZEHRN-BAGFOUIPSA-N 450.536 0.180 30 20 JCED O=C(CN1CCOCC1)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1806905272 IZMCNYSJHOPULH-BRULLHLISA-N 459.547 0.949 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1)[C@H](O)N1CCOCC1 1810354026 MYIZVZBMBIFSCB-IBGDABFTSA-N 475.546 0.267 30 20 JCED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)n(-c2cccc(=O)n2C)n1 1822201073 WDKYYJDQIVSCST-MRXNPFEDSA-N 477.481 0.996 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1823746174 WJPYFVRBUDOQMX-KNQDNGMZSA-N 468.620 0.792 30 20 JCED N#Cc1ccc(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C(O)O)C3)C2)cc1 1828499375 BWSCAIJFVTWRHJ-SANMLTNESA-N 492.532 0.864 30 20 JCED Nc1nc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cs1 1828987766 HSYNRJCOPNPNGC-HSZRJFAPSA-N 497.533 0.879 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632087 ONUSGJDIQCYIMJ-KOSHJBKYSA-N 456.543 0.814 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829903127 IWOKLIFCURVUOK-UZUQRXQVSA-N 457.531 0.265 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2 1830296849 LLPRCTWGXIYZPP-GLXXVIDCSA-N 480.562 0.214 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468601 QTXISZPYOXSMMI-JOCHJYFZSA-N 479.002 0.632 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1830571729 SLMZSBRROPXWMT-NBGIEHNGSA-N 487.553 0.380 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nnc(Br)n4c3)C2)C1 1831215595 PALUEZIFNVJPNA-OAQYLSRUSA-N 488.342 0.975 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833400933 QBPIIBCZVIHRRT-WAIKUNEKSA-N 493.561 0.665 30 20 JCED N#CCC(=O)NC1CCN(C2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CC2)CC1 1834398080 ABFQYJPFVGGORF-UHFFFAOYSA-N 480.573 0.665 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C3)C2)CC1 1835345137 FFEQVIJLXLUXRC-QFIPXVFZSA-N 468.470 0.052 30 20 JCED N=C(N)SCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835511090 MZIXOOSZTGBPND-RTLBZRNLSA-N 452.558 0.570 30 20 JCED CN(C)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672589 FGELRXCCGYZUHP-HSZRJFAPSA-N 458.563 0.499 30 20 JCED Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)c4cc(C#N)c[nH]4)CC3)CC2)no1 1835773438 LSUDUILACCBRKY-UHFFFAOYSA-N 467.530 0.798 30 20 JCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1836339064 CFFNNRTURRLSSI-AWEZNQCLSA-N 465.645 0.781 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3Cc4ccccc4CN3)CCO2)C1 1836485445 WZEYRKPWJVLGTQ-UTSGNWPNSA-N 458.559 0.958 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C)cc(C#N)c4)C3)C2)CC1 1836768033 WNAPWXMKNVZIJS-VWLOTQADSA-N 483.569 0.101 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836987395 VMFNWPUFQFLUOW-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1837396910 OPXAWRPSHHMQDO-FDDCHVKYSA-N 460.531 0.683 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837429985 FVYYLRDVAZVDNM-NFBKMPQASA-N 481.666 0.645 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837677691 BENZSAYNNOMSQT-GYCJOSAFSA-N 482.541 0.809 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn(C)nc4C)C3)C2)c1 1838579248 IBSHHYSOSWNEAW-QHCPKHFHSA-N 453.499 0.993 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)[C@@H]1SC(=N)NC1=O 1838950982 RANBXXMKJQFPBP-ICSGCJEQSA-N 471.539 0.431 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(C#N)c5)C4)C3)CC2)CC1 1839107809 ZOGOFNFCSSDXGB-XMMPIXPASA-N 467.570 0.408 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)n1 1839420418 HYUHSDPHVMIYGS-QHCPKHFHSA-N 471.489 0.924 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839422138 FAEDCYCNHKAZIY-HXUWFJFHSA-N 453.492 0.202 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C3)C2)c1 1839451981 AURFCVLAHQNAAB-HSZRJFAPSA-N 499.549 0.402 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc6ncccn6n5)C4)C3)c2c1 1839488261 HOABKDFGTPINKA-XMMPIXPASA-N 486.492 0.861 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839513723 ZDDCJOCKZIHJTI-DXPRYJPLSA-N 482.541 0.877 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)nc2nccn12 1839548344 UHDUJKIQRCBNER-HSZRJFAPSA-N 469.546 0.390 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1839840755 LMIFRIYUYGVKLB-YZZKKUAISA-N 468.595 0.897 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C34CC(C(=O)OC)(C3)C4)CCO2)C1 1840005499 FZTCTRHOXKJZRI-GIJLVODISA-N 450.532 0.359 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840162987 LRGYYUDSTQQMPX-JHVJFLLYSA-N 473.592 0.445 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1840163847 OZQNOUKOJCMLQN-HXPMCKFVSA-N 452.558 0.514 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1)c1ccc(O)cc1 1840219908 MENQWWTZSNZSLJ-QYXIYQDXSA-N 487.553 0.408 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1840232871 IMJROORSKCJBCG-PWAGRJGVSA-N 454.527 0.910 30 20 JCED CC(C)n1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840819343 GHYWKLSQOBNGOU-HSZRJFAPSA-N 468.514 0.880 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n[nH]1 1840819756 CVGSMEZCBRGIHI-QHCPKHFHSA-N 453.499 0.668 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1840820066 WXFWDJJARKPEEL-XMMPIXPASA-N 465.510 0.850 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840843470 RMMPDADKIDNDQC-JTSKRJEESA-N 453.536 0.132 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840857771 ZVVVCYBLBDZBLY-LYLBAIIYSA-N 467.563 0.648 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840945880 KOTSWIAAUUIWAL-QYWGDWMGSA-N 454.499 0.704 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=O)C(F)(F)F)C2 1847071394 RVHCILJREXTJDV-ZDUSSCGKSA-N 460.453 0.785 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1847261562 JYEPQMOJPQUKRD-LUNNPTDRSA-N 487.557 0.812 30 20 JCED COC(=O)CNS(=O)(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 481768757 IORCBRHGYQOVKP-UHFFFAOYSA-N 480.524 0.269 30 20 JCED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1 503740807 WJLCEJYNEROKBU-MRXNPFEDSA-N 487.519 0.654 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3cccc(OC)c3)c2=O)cn1 523180174 CRKRZYPQHSXDRS-HNNXBMFYSA-N 467.551 0.778 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(=O)N(C)C 604270558 YXVHNZRSTQSBQD-UHFFFAOYSA-N 462.959 0.307 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(OC)nc1 608883812 INGSQDNLEPXDDG-OAHLLOKOSA-N 480.546 0.965 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(C(F)(F)F)c2)c1=O 729673470 QYKSCOASVFHJEE-UHFFFAOYSA-N 485.509 0.755 30 20 JCED N#Cc1cccc(CS(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)c1 750420286 AGXJWKFFCIWKDT-UHFFFAOYSA-N 454.555 0.884 30 20 JCED CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 798175259 FTPRMLHBGCNWHH-UHFFFAOYSA-N 464.569 0.981 30 20 JCED CC(C)N(CCCNC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)S(C)(=O)=O 1115913756 WKTUEIWEWRUVNA-KRWDZBQOSA-N 464.544 0.631 30 20 JCED C[C@@H]1CCCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1291129156 JQFHWKZGXZHGHD-MBOZVWFJSA-N 469.587 0.785 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1360476395 LELMASIWCCPSGE-ZRGWGRIASA-N 452.537 0.850 30 20 JCED CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)CC1 1508635456 SRRSSQLYRKVDJE-GOSISDBHSA-N 489.577 0.980 30 20 JCED Cc1n[nH]cc1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1510437363 QYKYMMCCQOLPHG-YOEHRIQHSA-N 450.569 0.871 30 20 JCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1618794510 LVVYBDWDKVXROS-IBGZPJMESA-N 489.602 0.830 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(OCCO)CCOCC1 1625860698 KYBBWWTWBZNGNQ-QGZVFWFLSA-N 453.561 0.814 30 20 JCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1710984470 VMWVXDHZURGASG-KRWDZBQOSA-N 452.519 0.763 30 20 JCED CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1711284932 ZFBOFCSTOVUWGR-UHFFFAOYSA-N 465.562 0.880 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1770685326 VUFMANBXWLDDNY-UHFFFAOYSA-N 461.473 0.929 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1779104996 IOJRISDJWRDDLN-WKZSDXQCSA-N 462.547 0.746 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3nccnc3C(N)=O)C2)cc1 1779935288 VDFXIHWNRGPGTK-HOYKHHGWSA-N 462.510 0.817 30 20 JCED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)cc(OC)c2)C1)C(=O)O 1780089164 OWIGVQZISMUYFG-YCRNBWNJSA-N 458.515 0.757 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1781271562 WISLXGYLBSHILY-KKSFZXQISA-N 455.508 0.169 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1781294304 KAQJSZZUYDHWAS-NLFFAJNJSA-N 493.649 0.923 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1781295772 PKLDIXGJKXPDGM-UUOWRZLLSA-N 489.573 0.933 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)cc(C(F)(F)F)c1 1782034238 PTVAEJKRIWQORP-OXQOHEQNSA-N 467.448 0.613 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784118576 JYOMCVHKNDXVFG-XDHUDOTRSA-N 490.557 0.601 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)CCO3)C2)CCC1 1785364955 NEZJIASYYGFWAL-HSZRJFAPSA-N 461.482 0.708 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380496 UJGJFEIOQHMYTK-NZQKXSOJSA-N 473.482 0.262 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1785452949 ABQOKCGANSZGRQ-OFVILXPXSA-N 487.576 0.985 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4CCN(C(=O)OC(C)(C)C)CC4=O)C3)C2)C1 1785667269 PNESANYMKJVEFX-XMMPIXPASA-N 476.574 0.862 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)c3ccc(C)cc3)[C@H]2C1 1786605446 PNDVJBDYSZVLKX-QIJZPMMNSA-N 462.568 0.787 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(=O)OCCO)[C@H]2C1 1789250138 XEAAJLFCFFCCAX-USNOLKROSA-N 458.511 0.467 30 20 JCED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Br)c(C#N)c3)[C@H]2C1)C(=O)O 1790197513 NZDIVUSQJPCWDP-PLYYQAHHSA-N 493.358 0.977 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1790697504 SNKFCHQRSLSRGJ-VIUKOLAESA-N 478.615 0.358 30 20 JCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]2C1 1791144351 BJFJNYSMZGOYPN-ACRUOGEOSA-N 454.564 0.466 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)[C@H]2C1 1791469981 JIOAYIGYSBOYKG-VMXMFDLUSA-N 459.568 0.761 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21)NC(=O)OC(C)(C)C 1792108964 KIMFJYKKUKYURY-XSLAGTTESA-N 477.566 0.512 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC(=N)N)C2 1793595598 SDAPKEPKMGCOPI-HLPPOEQASA-N 455.581 0.672 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796384546 FDFMSRZPKKJWRY-DILUQUMXSA-N 465.532 0.619 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=C2c3ccccc3C(=O)N2CC1 1798448042 CSLQPIBJBFMPLE-XXGILCFXSA-N 476.533 0.705 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)CC1 1798691026 QHZGFZNGSIXGGA-IZZQQSIFSA-N 487.557 0.852 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2)C(C)(C)S 1800908055 WDMSAZJJLAMLJP-YALNPMBYSA-N 482.607 0.469 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)cc1 1801991605 XWWAWTRWTWRIPI-DMUMMCEESA-N 473.551 0.874 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1 1802484775 YFMJXCDRCSUZKX-OHLRXGENSA-N 453.459 0.891 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)cc1 1802580925 PJTWRBQDKAJPGQ-AVRDEDQJSA-N 483.492 0.642 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804193975 GPZBZHDFOYDHHS-DYXWJJEUSA-N 478.615 0.391 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)Cc2ccc(F)c(C#N)c2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1808559192 BLQATZFDTMOQFT-JTSKRJEESA-N 481.484 0.884 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811185129 QXPRLONYXCEBAT-VQIMIIECSA-N 464.530 0.572 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CN)sc3C2)CC1 1817070796 BARJUUWVCDGMOK-KBPBESRZSA-N 491.618 0.882 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1819363584 HXRGFYDRVZHZOE-KBPBESRZSA-N 455.479 0.415 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1829260014 CHIPAUAVJUZQFT-MHECFPHRSA-N 454.527 0.986 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1829266724 FMUOBUINVIRTNY-XMMPIXPASA-N 476.493 0.274 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829306396 SQOUEKQZBFPXKY-NYUJMHJJSA-N 496.564 0.613 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1830472629 QLTARMMUVABIPF-JOCHJYFZSA-N 457.918 0.830 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2cnccn2)CCO3)ccc1F 1830966612 DRFDZCCXYXPXSH-HSZRJFAPSA-N 453.474 0.729 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1831396644 ONSPRFAMVUJICK-MQNAVGNWSA-N 457.483 0.216 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1831437559 CXXFQWQITIWSRH-GGUMNFRJSA-N 499.605 0.698 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831609892 SBMRLZSLIACQQF-PEBXRYMYSA-N 454.487 0.016 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2)C1 1832453395 YVIDPQBQJUKPMF-JTSKRJEESA-N 487.619 0.902 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1833433673 HNCQKDDDLZTBQU-PWYGXMRTSA-N 460.535 0.417 30 20 JCED CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1833440639 MYBTYLPMBLCOAY-UHFFFAOYSA-N 451.531 0.756 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1834717245 UQHXMDMUNNVFAR-IBGZPJMESA-N 467.636 0.417 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1835710520 QKVRMDLNYHDYSJ-IBGZPJMESA-N 475.634 0.964 30 20 JCED C[C@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836321948 RPBURMQXRPBNEX-BFUOFWGJSA-N 455.437 0.637 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1836864409 GAXYIFKJXYWGPJ-AWEZNQCLSA-N 459.507 0.016 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1837394999 NIVNAUHKYAOMBZ-WZONZLPQSA-N 460.531 0.683 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837489262 BGTVMDIHNAAGFU-DEOSSOPVSA-N 467.526 0.727 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1837492681 OTURRNSVQFKQGK-IPVFLDMMSA-N 487.597 0.542 30 20 JCED Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837524604 JZLCRGSNSCNWMY-TUFUWLCISA-N 460.531 0.918 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n(C)n1 1837524775 MJTUAAYEGYWRSA-XTSMJKTBSA-N 465.507 0.028 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)c1Cl 1838595585 UEHGEMLJLMORGT-HSZRJFAPSA-N 498.927 0.535 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Br)c(O)cc1F)CCO2 1838607903 ZNJGTJDSOVJUTJ-IBGZPJMESA-N 485.262 0.452 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132816 RUHBCOMFHFZNEV-MZNJEOGPSA-N 487.557 0.273 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)N4C[C@H]5C[C@H]5C4)C3)C2)c(C#N)c1 1839133116 ZLQASWLMBOKDKQ-RPJCSTDNSA-N 482.581 0.906 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1839223073 LCIOORWYWJJYDN-KKSFZXQISA-N 451.524 0.993 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1839229011 WYDHFHPVBZTUGC-BVZFJXPGSA-N 498.536 0.987 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839384323 AWOMVGCYCOWGKQ-YKSBVNFPSA-N 488.541 0.400 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(OCC)c1O)CCO2 1839425494 ODWJEAYUQSKTJY-XXXZYALBSA-N 473.526 0.719 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839683571 GUANYYQBWWIWLD-XWMMLSLGSA-N 454.524 0.476 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1839716690 WUWQGTALOBAEDU-UZUQRXQVSA-N 479.599 0.866 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839724187 MHWQKIRIAAGNIY-JWQCQUIFSA-N 486.569 0.622 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1840167936 WMSVGYUEASRQLO-HTAPYJJXSA-N 453.536 0.132 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CCO3)C1 1840218446 GVJBYUSUVJLQNC-BJKOFHAPSA-N 479.574 0.781 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CCO2)C1 1840371381 FUAMKWCZFMSVOM-LGVFNWMJSA-N 473.574 0.682 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC(=O)N(C5CCCC5)C4)C3)C2)CCC1 1840812338 LUNRJQCOIXNCTM-UUOWRZLLSA-N 458.559 0.928 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)CCC1 1840815046 UATJXUJULXMVJL-QFIPXVFZSA-N 473.555 0.042 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840819446 LLMLDCVQERMGAH-OAQYLSRUSA-N 470.442 0.339 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=COCC3)C2)C1 1840908309 IXIRDIIEFZXGBQ-MBSDFSHPSA-N 463.531 0.664 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840908626 CUXZRZWKTBLJJE-YADARESESA-N 489.573 0.336 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1841476248 QZMHGOUHEIWAQN-GOSISDBHSA-N 484.557 0.866 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)cc1C#N 1846877799 GYRFTIPYNJNHBG-UHFFFAOYSA-N 462.470 0.602 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 603793666 VGLFWTDZBCEHPG-UHFFFAOYSA-N 471.535 0.483 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(=O)N(C)C 604270052 NXDNKCAFJWBCSV-UHFFFAOYSA-N 457.512 0.326 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CC(=O)N(C)C 604270491 SQCOLNRGBUOJFR-UHFFFAOYSA-N 492.985 0.316 30 20 JCED CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434423 BNMSJRVWOSDTRA-UHFFFAOYSA-N 456.480 0.735 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccc(OC)nc1 608884062 IJIUQFXAAWFPOE-UHFFFAOYSA-N 494.529 0.339 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(OCCOC)cc3)c2=O)cn1 609333518 DSCSSHISQBPERA-UHFFFAOYSA-N 453.524 0.390 30 20 JCED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 609402948 WMSJZFQXJHQLME-KRWDZBQOSA-N 494.643 0.513 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 769830558 RKKJTQUDKFIYQW-UHFFFAOYSA-N 458.496 0.855 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc2c(c1)OCCO2 797655210 FOIZUZWGHUSCKE-UHFFFAOYSA-N 495.561 0.286 30 20 JCED C=CCCO[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 921218397 ICAOMHUJIKCNON-OAHLLOKOSA-N 455.489 0.952 30 20 JCED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1156592233 RAAFDWLOZXAJNU-MGPUTAFESA-N 456.524 0.748 30 20 JCED Cc1cc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)CC2)no1 1289408304 PSAJSPLIXCCSGA-UHFFFAOYSA-N 470.559 0.985 30 20 JCED CCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1296221596 XVXBSPYDYJDXBJ-HXUWFJFHSA-N 474.522 0.666 30 20 JCED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1464320466 PGFIXNKJNIXNCW-QGZVFWFLSA-N 455.558 0.377 30 20 JCED CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1502447147 KOTSAFCJUUJBNQ-GOSISDBHSA-N 486.602 0.950 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1503406957 RFNXKZCUQABMSU-ROUUACIJSA-N 457.560 0.956 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1541675295 HCUGJTDLVIHDIW-SFHVURJKSA-N 486.602 0.571 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCN1CCCO 1541926144 NMIFKQJOQGZOEP-FUHWJXTLSA-N 453.613 0.865 30 20 JCED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1612653470 KRAPGIJXUFYUAK-WBVHZDCISA-N 457.560 0.765 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCC2(C1)OCCO2 1640987906 PZWOPCKRPBLXLR-QGZVFWFLSA-N 450.561 0.705 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1731011087 JHMWQHGOZNKGNK-UHFFFAOYSA-N 464.573 0.476 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(=O)N(C)C 1741675966 SBZPZJXDIVIWNE-OAHLLOKOSA-N 454.539 0.271 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1ccccc1F 1751222050 OMJIJCISLGSGHF-BFUOFWGJSA-N 467.502 0.899 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1761483487 ZCHGOPAMAYGANM-WBMJQRKESA-N 450.562 0.544 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1770671424 XOWCCXAJKJRMTR-KZNAEPCWSA-N 482.607 0.793 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777866871 BEOMVMJTLVBCIO-DEOSSOPVSA-N 470.526 0.830 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062851 QPPXCCAJUBCRBR-XMMPIXPASA-N 489.594 0.768 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1779102313 XNWLNKFRHSSFJX-CHHCMVCFSA-N 487.557 0.891 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1)[C@@H]1SC(=N)NC1=O 1779362919 WNZJFFYGEZRNLE-CGYVZUEWSA-N 478.619 0.774 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1)N1CCN(C)CC1 1779423814 HTHPHDJYKDMJEG-WBKOKSHGSA-N 479.622 0.665 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)ccc1F 1781300553 XTDBUGCWIPTUGU-IBGZPJMESA-N 456.396 0.748 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1781653057 XHBBJDUGAINZLY-CBGDNZLLSA-N 454.593 0.359 30 20 JCED CCc1nn(C)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1Br 1782010213 CJRGQFCDDSLMRL-JLTOFOAXSA-N 481.347 0.961 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782604545 SFOISQMQYFPBQY-QMVIGNOCSA-N 451.527 0.441 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782963071 VNROKDJJFDJZKT-ROEJJBDBSA-N 497.614 0.863 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783451888 FPWZSPQWJUJCCB-GAJHUEQPSA-N 490.557 0.620 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783557523 HWAUJYZBYWDCSE-SBUREZEXSA-N 463.531 0.942 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)CCO2 1783911819 AMEBAUABCCYSDW-DEOSSOPVSA-N 476.574 0.699 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)C[C@@H]32)c1 1783913017 MKXCPNQAVKYOIU-FHWLQOOXSA-N 453.499 0.022 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783993572 OUYRMOQBDAMUQO-FJIDUMEYSA-N 483.562 0.361 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)CSc5nc[nH]n5)C4)C3)c2c1 1784392279 MFYYASACFCMOPX-FQEVSTJZSA-N 452.500 0.788 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)[C@H]2C1 1788080450 BWJQRVDVAOZBJX-DVZHBHJUSA-N 456.528 0.482 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1788637378 QFSKWQIZXCUGAZ-IHPCNDPISA-N 456.543 0.793 30 20 JCED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21)c1ccccc1 1788704571 FTIGTETXUDJCMG-LUYSREMJSA-N 466.538 0.761 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(O)nnc4O)cc3)[C@H]2C1 1789272523 QMYNKDLZCDPQTP-DSLXNQLJSA-N 485.541 0.845 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344762 BVOZTPIGGPDRCU-LAQRGFTBSA-N 461.519 0.365 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1789955124 FBRCYSKRSDZJRP-WSMBLCCSSA-N 467.548 0.232 30 20 JCED CCn1c(-n2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)cc2C)cccc1=O 1791076193 YMAANCJEFXGSMZ-LNLFQRSKSA-N 481.509 0.044 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1792884197 BDPRSZMQTKQVIM-JTJHWIPRSA-N 472.542 0.576 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)c2ccccc2C1=O 1793863972 ZDVGJMDYAHRNAV-UPHUGPLXSA-N 481.553 0.544 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2nnn(CC3CC3)c21 1794108209 HAJPQBRUZXFXBZ-BMQTXXJKSA-N 498.584 0.745 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cc1 1795416146 VGVMNCAVZNQUDW-FJNFHRSHSA-N 493.582 0.751 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795997028 PHSSBHZMSORYAN-NFFDBFGFSA-N 488.488 0.856 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796075880 SFPHKWOTKRNTRF-IZZQQSIFSA-N 477.587 0.111 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1797710922 ONUKJEQCMGZOMT-MNDZRTMASA-N 454.527 0.942 30 20 JCED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)nc2nccn12 1797816613 ONSDVTCPVIMXBV-TUFSQHOOSA-N 456.503 0.770 30 20 JCED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)nc3cccnn23)cc1 1798496746 NXTBQWJNUDASIK-FEJSZKPUSA-N 458.478 0.407 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)c1Cl 1798592409 NKDDSCPYLDBHQB-CXHZTBPHSA-N 451.932 0.992 30 20 JCED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1800182893 JRKMQSAYFZDHQR-YCUSNSCCSA-N 450.586 0.561 30 20 JCED COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801992705 RDILGZNXANDLQQ-OPMZPASUSA-N 453.499 0.683 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCCC1)C2 1802126324 KTHVKSMPWMXRDH-RCLSDMTESA-N 462.591 0.979 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807027830 CDMJSRMFRHJASY-AVRDEDQJSA-N 487.453 0.763 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1807948940 KHLJXHIJFXODET-MGPUTAFESA-N 487.455 0.852 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1 1810355476 BDKZVDHZKHLJCL-FDOFZYORSA-N 459.547 0.949 30 20 JCED Cc1ncc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cn1 1828662716 GESMIFJVPKMSLV-VWLOTQADSA-N 491.504 0.939 30 20 JCED CC(C)(C)NCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332652 TXRSNZYBURPFKP-VWLOTQADSA-N 484.553 0.915 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1829460978 DGPZXVWYQCQCSW-NLFFAJNJSA-N 483.569 0.445 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Br)c3)C2)C1 1829769998 BBIHFZQUXGMKFP-YOXWTLATSA-N 493.358 0.773 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)cc1 1829900984 ULPRFIVUIXHKAI-QHCPKHFHSA-N 465.466 0.359 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2ccc(C#N)cc2)CCO3)CC1 1829901444 BKQMLOIDKPXVJU-RUZDIDTESA-N 469.586 0.195 30 20 JCED O=C(CN1CCOC1=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833386704 NWCUAWCGNZSZEQ-CPOKCXMASA-N 465.551 0.539 30 20 JCED O=C(O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)ncn1 1833491393 NKSIOWAOCOEGRB-QHCPKHFHSA-N 450.451 0.297 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C3)C2)c(O)n1 1833700296 SHPRZDNTQUNZJZ-OSPHWJPCSA-N 472.542 0.667 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)c(O)n1 1833702049 JUDJFTWMWFUJSV-KCOOYEKVSA-N 457.527 0.868 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833785620 KAELIEVRLMGHLY-FQEVSTJZSA-N 450.927 0.482 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnc(N(C)C)o3)CC2)CC1 1834094882 QXXOPHSPBHSKKR-WAYWQWQTSA-N 458.563 0.784 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3cccc(Br)c3)C2)C1 1834765813 LAIRPQRJOUXACK-MJGOQNOKSA-N 452.305 0.853 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835362684 RMUYNPVWUFOMDB-AOMKIAJQSA-N 482.534 0.203 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)c1 1836678266 QJSPZDYHAJDNNA-CJFMBICVSA-N 469.586 0.631 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CCO2)C1 1836685876 VLPBCQHFFUOQGI-JJTGBXKASA-N 487.597 0.935 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440788 YCNVLDSBEPOTKS-KWAHZMDQSA-N 493.605 0.924 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1837443376 IAWJDZKQEDFXNQ-GVFUYMABSA-N 454.531 0.876 30 20 JCED N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)c1ccccn1 1837527503 NWGMROGUJJUBIH-GFQUCCESSA-N 461.519 0.067 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1837530553 NOHLFZNLAQBVKD-QAJKWOARSA-N 475.542 0.575 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837701545 QQWFMXVZAOYYQC-IQMFZBJNSA-N 466.498 0.195 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1837869284 HJZHZYXRMSYIQW-UHFFFAOYSA-N 459.547 0.192 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)c1 1838331485 CVONTHSDAJMUAV-XMMPIXPASA-N 450.495 0.894 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)c(C#N)c1 1838805864 XEQJRJIEKAOOFA-QHCPKHFHSA-N 470.482 0.360 30 20 JCED C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839160872 QAYOKEZQUSICRL-ORAYPTAESA-N 469.420 0.177 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1839185876 PDZZZPQPPCCQHB-JPYJTQIMSA-N 482.578 0.438 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)ccc1F 1839188068 JSHDDINYTSZSJG-UZUQRXQVSA-N 458.490 0.222 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1ccnn1 1839188271 VLANUTDWMDZCMB-AOMKIAJQSA-N 456.478 0.549 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COCCO)CCO3)C2)c(C(F)(F)F)n1 1839193837 AVMDYMJZQXWXEF-LJQANCHMSA-N 472.420 0.051 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 1839355376 ZJGCJACBVCZEST-DYRFGFBLSA-N 476.461 0.662 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)ccc3-n3ccnn3)CCO2)C1 1839478256 KWRXITCAVFBUME-YADARESESA-N 467.526 0.684 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H]5CCCS5(=O)=O)C4)C3)c2c1 1839489203 RPZKPQAUKIKYCN-XMSQKQJNSA-N 487.538 0.082 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1839665472 GSNFTXPGZKYSPB-UUOWRZLLSA-N 465.510 0.641 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1839805577 LXSHFMLCAYBKTC-MQNAVGNWSA-N 465.547 0.084 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H](C)OCCN3C(=O)OC(C)(C)C)C2)C1 1839806126 BAPZILMWJRICKB-AQOAWAETSA-N 451.520 0.100 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1840164590 BPMMQUJRIUZSCU-RZTXVSJASA-N 471.554 0.426 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1840220157 AHVKPMAYIINDDO-WWEVIYMKSA-N 482.541 0.593 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnn(C)c4)CCO3)C2)c1 1840465652 KVPRKWLVGBIMEM-QHCPKHFHSA-N 453.499 0.613 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1840907159 PUWXBSDZWBXNNU-LLJLJFOGSA-N 481.590 0.766 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)cn3)C2)C1 1840907192 PZIUSQOWNAYBAD-UUOWRZLLSA-N 487.557 0.772 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1 1840908242 FKLUPIPAKPUTON-YZZKKUAISA-N 499.630 0.473 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1840913584 GSUDSEXVTFCUOW-NLSFWIRASA-N 480.562 0.048 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 1841055402 AYOVWRGNUWENKA-WUYYXPQKSA-N 488.585 0.930 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1845199350 UBDKUOCXUIEEDO-OAHLLOKOSA-N 463.535 0.601 30 20 JCED C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 18662638 VSPLJASZJZYUBY-WMLDXEAASA-N 483.568 0.194 30 20 JCED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(C#N)cn1 409745641 IPPRFXASCWBZLE-HXUWFJFHSA-N 471.539 1.367 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)cc1F 502043852 BEKGSUTZNZWSAC-UHFFFAOYSA-N 453.499 0.442 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cnn(CC)c1 522390798 YUTPGPZQQNJPEN-UHFFFAOYSA-N 499.618 0.938 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCNS(C)(=O)=O 589161328 RAQYQWOUGURHFZ-UHFFFAOYSA-N 471.963 0.980 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(Br)s2)c1=O 604270288 LUZMWCYNNCOWOU-UHFFFAOYSA-N 495.424 0.947 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC)nc1 608884581 NTERNCAEOLRGAP-OAHLLOKOSA-N 450.520 0.957 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(N)=O 608911632 MRTCECWMJVISFC-UHFFFAOYSA-N 467.334 0.064 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCc3ccccc3)c2)c(=O)n1CC(N)=O 608912008 ZFQPAZKDGOSLOI-UHFFFAOYSA-N 492.557 0.240 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCNS(C)(=O)=O 608912116 DXNMQEHQFAVKKK-UHFFFAOYSA-N 492.623 0.274 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 608912217 IHHDBHRFVJNSIX-UHFFFAOYSA-N 492.623 0.133 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN([C@H](C#N)C(C)C)CC3)cc2)CC1 609153542 RLXLOISKJCJFNU-OAQYLSRUSA-N 461.588 0.845 30 20 JCED CC(=O)N[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCCC1 792687563 SCHCXCSHIBSHFH-NRFANRHFSA-N 476.555 0.629 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)cc1 811833889 YBADXFVYDFWRLB-UHFFFAOYSA-N 459.436 0.832 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1CCOC 838262516 DGWKFGXUPRBGPS-UHFFFAOYSA-N 467.551 0.398 30 20 JCED CN1CC(=O)N(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1=O 915382496 PPAJWPQILGHIAG-CQSZACIVSA-N 457.487 0.793 30 20 JCED CC(C)CN1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1287741647 IVYAIMWUOLOWBL-XUVXKRRUSA-N 495.650 0.708 30 20 JCED COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c(OC)c1 1300040955 IFBNYIFWQAATII-VQTJNVASSA-N 465.507 0.954 30 20 JCED CS(=O)(=O)N1CC[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1518147503 OEOHGFPXWUWQOU-INIZCTEOSA-N 454.574 0.357 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1554498665 ZCORWLHZAOFPEB-KSFYIVLOSA-N 455.519 0.730 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1652850682 JIYJAKVXSJNNTG-JENIJYKNSA-N 450.561 0.418 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CCC1 1706748187 TUTBVONOXKUXJR-GJZGRUSLSA-N 474.609 0.317 30 20 JCED C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1708264992 OHIMETWHDJNPAA-GOSISDBHSA-N 483.573 0.920 30 20 JCED Cc1cc2nnc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)c(C)n2n1 1779101796 QHQOGCWJFJPZSV-RGEBAEOJSA-N 471.518 0.714 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134808 PVZWOYXHEGCAOD-WNWUFGKPSA-N 464.519 0.414 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779136852 DEFYDQZWWZYQFF-UVMAWDFBSA-N 477.562 0.771 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779536061 XXTRLLIVZXFAJD-HXOBKFHXSA-N 487.513 0.535 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cc(C)c(O)nc4=O)CCO3)C2)c1 1780175068 FDNUQKBYECVJDR-HSZRJFAPSA-N 467.482 0.281 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1780736897 VOXNPUSAXMVIHG-WZONZLPQSA-N 473.530 0.263 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1781294824 JZZVFOOQSPXDQJ-JLHGSKIFSA-N 452.552 0.810 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)Cn4ccncc4=O)C3)c2c1 1781486679 RPXCZNYODRMRSX-NTKDMRAZSA-N 475.509 0.819 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)[C@H]2C1 1783471850 GSMHLZNBSMRBOB-REYXVDKWSA-N 475.542 0.797 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC[C@H](C(=O)OC)C3)C[C@@H]21 1783533149 SBSVXTMWTATMKA-PMVGWDDPSA-N 461.559 0.804 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)CCO2)C1 1783897511 LSVBXPCGFWQSLT-ZQDYSYBYSA-N 477.583 0.907 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1783910617 CPOMJSSWVXHNDQ-MBSDFSHPSA-N 499.630 0.948 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c(C#N)c1 1783929347 LUHXSPKUADHORY-GOTSBHOMSA-N 459.499 0.555 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2)c1ccc(O)cc1 1784014981 UJGBBKJAJMIYGW-RGZWJVDOSA-N 468.510 0.317 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784195964 TYVBBGIAWVVWBU-SPOLIRPYSA-N 467.563 0.280 30 20 JCED CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1)C(=O)O 1785195998 KTGFMOVUWXELGM-JPYJTQIMSA-N 458.515 0.852 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CCO2 1785427046 LHVSJPMXFLMPBN-OPAMFIHVSA-N 451.520 0.686 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1785608912 FHGWYNMSFPDHBF-MHECFPHRSA-N 485.541 0.770 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3cc(=O)n4[nH]nnc4n3)CCC2)cc1 1788029299 FZXXOSFZUQNFJQ-UHFFFAOYSA-N 463.502 0.842 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)n1 1788731679 XHXIAVRVNBAEQD-LNLFQRSKSA-N 452.515 0.780 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)n(-c3cccc(=O)n3CC)n1)C2 1793342553 KAWXLWOHWFHRRO-XWQURZDVSA-N 481.553 0.604 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccnc2C(N)=O)ccc1F 1794269354 LVMDAFFBFPKMRZ-CWPLJXCYSA-N 451.458 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)n(C(C)C)n1 1794432880 QLUGXITWUPNCLH-XTLOUAGDSA-N 459.503 0.224 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)c1Cl 1795929944 GSGYVDQKZPMPBB-IVWMJMPLSA-N 489.941 0.880 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(=O)OC(C)(C)C 1796393463 RHXCHZQOWKACSP-DFBDCSAJSA-N 453.536 0.154 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797539828 JYOJKDLUSLRZMF-ZSBFGKGUSA-N 455.467 0.534 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(F)F)c(O[C@@H]2CCOC2)c1 1798517617 RZJNCCVEHAAILH-DXEZIKHYSA-N 494.447 0.747 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1799235668 DKWOISXDIPJOSQ-AJYBTWMASA-N 499.630 0.708 30 20 JCED CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1801529593 AMWAAJDPOBKWAK-DRXBFXEBSA-N 474.461 0.610 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801987173 NYDZCNFNUCJQSY-KYHPRHEASA-N 471.514 0.901 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810331341 ZKGZDUSPLQPEDX-HMXCVIKNSA-N 472.542 0.851 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)c1 1811406807 FQANMKQJZNLKON-XJABCFGWSA-N 464.526 0.874 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1814039694 GHERQIODNVBUHU-CMKODMSKSA-N 469.542 0.931 30 20 JCED Nc1n[nH]c(CCC(=O)N[C@@H]2CCc3nc(NC(=O)/C=N/O[C@@H]4CCCCO4)sc3C2)n1 1819901418 FYCBVMJGARFULO-LTSMXGBHSA-N 462.536 0.917 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1828359258 QJXIGTUNXRCOSW-SFHVURJKSA-N 453.561 0.366 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCN2C(=O)OCc1ccccc1 1828506251 ZBCNMJCPNLSSEO-NTKDMRAZSA-N 467.526 0.878 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1828595633 UZSLAMCDTIUBGZ-GAJHUEQPSA-N 455.515 0.864 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ncc[nH]3)C2)C1 1829330182 AVOWXJCHJGBNAR-QHCPKHFHSA-N 465.466 0.563 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1829766385 WDHWRZOXVLPVSY-AYCLBZBQSA-N 468.554 0.016 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(F)cc34)C2)C1 1829770576 YYSSYHCFYHFPKN-IYZQMXKPSA-N 471.489 0.630 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829881746 NRLCAKCAEVWVGH-YADARESESA-N 478.590 0.455 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1830037879 GKFCFYYNJUJBFF-UZUQRXQVSA-N 465.547 0.396 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830592597 UCYJWGNDQLUKGS-SBUREZEXSA-N 465.547 0.891 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)Cc5cnccn5)CCO4)C3)c2c1 1830969123 SPAAXAJQFXFMHW-HSZRJFAPSA-N 461.482 0.537 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CSCSC3)C2)C1 1831396314 JCGNTOKPBIPLJP-SQGPQFPESA-N 457.618 0.524 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)C2)C1 1831401877 HWHZABZRMDVNEO-KQHKVODXSA-N 491.585 0.879 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1831405530 CWNLONHHYDTVHC-MZNJEOGPSA-N 490.557 0.432 30 20 JCED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831519113 ZRNNGIITXUGPHK-NQKDMWHGSA-N 455.515 0.912 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833126230 VCWIRXGGRFWHFU-DVECYGJZSA-N 487.557 0.392 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)c(C#N)c1 1833169361 OTFGQUWYJLZZLZ-DEOSSOPVSA-N 465.510 0.598 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)CC2=O)c1 1834753676 PMIOMCYWVUIHEQ-HXOBKFHXSA-N 456.499 0.418 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835340032 ZOIUJBXJUQNANE-RUZDIDTESA-N 482.537 0.527 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680145 DMLCUGWZZJRCSD-FDDCHVKYSA-N 459.547 0.587 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835688941 HVQUSUBSNFGGAT-OKEGVBJISA-N 458.563 0.810 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)C4=NNC(=O)C4)CC3)CC2)c1 1836124510 LKLVSYFRIDCHBD-UHFFFAOYSA-N 452.515 0.628 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320583 HEBIESTVGVZRIC-DYESRHJHSA-N 497.474 0.957 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)nc4n[nH]cc34)CCO2)C1 1836364924 FUMCHNTWGFVWLN-QKKBWIMNSA-N 461.906 0.720 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)cc1 1836781338 PABMAFIIBMWLLR-RUZDIDTESA-N 492.536 0.466 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1836991811 PPLOIXXSKKBSIB-SFHVURJKSA-N 480.610 0.937 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)N1C[C@H]2C[C@H]2C1 1837286252 FNGOVRFMTKUTHW-NAZDKBRTSA-N 459.587 0.482 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837403488 MUOXQBJGKVTVHX-VGSWGCGISA-N 450.488 0.447 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5c4CCc4ncccc4-5)CCO3)C2)CC1 1838481429 HRZIHJZSKJCJBX-DEOSSOPVSA-N 462.510 0.944 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)c1 1838581664 GGNSNFRBZSPISM-DEOSSOPVSA-N 492.492 0.699 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(C(=O)OCC)c1)CCO2 1838719275 PSERWPXDFVKBAI-VRWDYKOXSA-N 486.525 0.187 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)c1 1838798255 KGDUTUQBWVGNCJ-QHCPKHFHSA-N 454.483 0.741 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c(C#N)c1 1839131158 PJXFKCJOXKSPTH-UUOWRZLLSA-N 470.526 0.092 30 20 JCED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131818 APLUYISXWAKCOV-OZWPHOJSSA-N 458.559 0.939 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Cn4cncn4)C3)C2)c(C#N)c1 1839132960 UXUCCHLKOMWTES-UUOWRZLLSA-N 482.541 0.494 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cc1cccc(O)c1)NC(=O)OC(C)(C)C)CCO2 1839181160 NUTLBGGSXXPAAJ-NBGIEHNGSA-N 487.553 0.918 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1839227160 KUTNKUFEMZCVTQ-AOMKIAJQSA-N 463.535 0.796 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419993 HBJYGJZCLBJCFO-JOCHJYFZSA-N 455.446 0.880 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840036819 VMTZNEPDBJLKCR-XNKHYLNYSA-N 469.538 0.944 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1)c1ccc(O)cc1 1840222028 ABXMKHJVUQBLNY-QFQXNSOFSA-N 494.548 0.603 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840771771 OJXINFXMTBUQKC-FNZWTVRRSA-N 497.548 0.759 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840857226 NFOJOEGDVLTGFU-HYBUGGRVSA-N 472.517 0.633 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)CCO2)C1 1840912922 NDUMCWJFQAKLRU-ZBSGDCQRSA-N 491.585 0.879 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1840913029 VHDZJTWKDXSEAF-QKCPIRFBSA-N 494.545 0.021 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840913112 YIOHDOWDUFRUJM-GCRLEYHISA-N 492.573 0.191 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CS(C)(=O)=O)C1 1841620987 WHPHGIPBPTYHJT-HOTGVXAUSA-N 455.577 0.787 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2ccnn2)C1 1843102267 TXJXEIQJLUJJLN-MRXNPFEDSA-N 491.549 0.287 30 20 JCED C=CCOC(=O)c1sc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c(C(=O)OCC)c1C 11263428 YIVUGAMRZQAOQV-UHFFFAOYSA-N 460.468 0.947 30 20 JCED COc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C)c1=O 502007919 WZBSHUOEGJHLRK-UHFFFAOYSA-N 451.508 0.003 30 20 JCED CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 516011762 NISLPICAFRQBCX-UHFFFAOYSA-N 494.526 0.572 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCCSC)c2=O)cc1 557746593 LOLNUPQQNAXWLE-UHFFFAOYSA-N 487.603 0.811 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(OC)c(C)c3)c2=O)cn1 608884194 UWKFXLRQANKEFU-UHFFFAOYSA-N 492.557 0.982 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3CCO)cc1 617739841 GLCSSEHSGDMHRR-SFHVURJKSA-N 461.544 0.814 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(OC)ccc1OC 726578177 XFQTXVCKNGVJTC-UHFFFAOYSA-N 451.508 0.455 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCS(C)(=O)=O 729673157 FUFFRMXVYARIHS-UHFFFAOYSA-N 463.606 0.482 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1CC(=O)N(C)C 730439724 XYBQAJMPWZFZME-UHFFFAOYSA-N 490.969 0.474 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)cc2)CC1 747022223 XEBBDVHOGUCCTQ-GOSISDBHSA-N 455.496 0.896 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc3c(c2)OCO3)CC1 747901238 SAVXHDFVMUFOKW-UHFFFAOYSA-N 457.464 0.977 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)o1 914683431 CNAMTGBRRHLOEX-UHFFFAOYSA-N 486.510 0.552 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 916199630 JINOSAOSHAYFIU-UHFFFAOYSA-N 473.551 0.707 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)O[C@H](C)C#N 916533523 YWXMYXFDPMTCQX-CYBMUJFWSA-N 457.530 0.843 30 20 JCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1OC 916925187 ZILDSHOZFFSNRV-INIZCTEOSA-N 458.496 0.569 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(C(=O)CN4C(=O)CCC4=O)CC3)nc12 918181576 PYEZTRNLJSMRFN-UHFFFAOYSA-N 495.565 0.617 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 918617635 YKUSZMKKBPDMHN-WKCPZHCVSA-N 482.584 0.474 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301017318 IGTVKGZJQIBLLP-ZDUSSCGKSA-N 468.971 0.461 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 1468699721 XTABANGDTRKXHO-ZBFHGGJFSA-N 454.574 0.545 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCOC1 1502728652 JEMYXYHAOATQMI-TXPKVOOTSA-N 474.484 0.922 30 20 JCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1503255093 UBHGFKSQCYUTFL-HXUWFJFHSA-N 485.614 0.994 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1510217030 FXGQWKFNWORIKO-IEBWSBKVSA-N 492.650 0.858 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CCOC)CC1 1515993805 INKCENBQNFVZRR-QHCPKHFHSA-N 455.563 0.862 30 20 JCED CCOCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1548065805 PAOFFRQLBBTEFF-RBUKOAKNSA-N 495.650 0.850 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1611687124 RSSQWAWIDNDNSH-KUHUBIRLSA-N 484.579 0.923 30 20 JCED CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1)S(C)(=O)=O 1696753030 IHVGOYKHGBUFFH-KRWDZBQOSA-N 480.616 0.969 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1723654173 UTFZEYGKKYKMJA-DEOSSOPVSA-N 466.590 0.530 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1747544179 OAMYPFYNKTVJRD-KRWDZBQOSA-N 475.575 0.583 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749227946 KIDSMFGDSFIGFB-RTBURBONSA-N 460.560 0.950 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)CC1 1749889604 TYWWDFNFARGCDZ-QGZVFWFLSA-N 468.562 0.593 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCN2CCSCC2)C1 1771361653 OHAFCSJVWITLAN-KRWDZBQOSA-N 469.637 0.400 30 20 JCED O=C1NCc2cc(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)ccc21 1778723316 QWEQAPHSGROTKV-LDVHSUHUSA-N 456.499 0.903 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014337 FTOKGXREGCAGJP-PJONVTFJSA-N 491.589 0.867 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1cccnc1 1779099602 IVHCSSOASKYULR-BHSRTUAOSA-N 459.503 0.170 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCNC2=N)C3)c(C#N)c1 1780686831 QBOPREZIKJYBCE-HYBUGGRVSA-N 468.558 0.463 30 20 JCED CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2)C(=O)C(=O)O 1782752722 UTVYOPVAMDBYKX-HXUWFJFHSA-N 482.415 0.564 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1783223236 ZPYRQPRWCPQFGJ-ZHRRBRCNSA-N 463.531 0.686 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)ccc1Br 1783261471 OBZDSLBXPVRUFP-OAQYLSRUSA-N 495.374 0.051 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NNc3ccccc3)C[C@@H]21 1783528309 LZVGAZXIAOJVBC-KFEDGSTOSA-N 455.559 0.830 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NNc3ccccc3)[C@H]2C1 1783550366 KYOCMDPPZGENBB-MPIIZYJMSA-N 455.559 0.830 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1)CCO2 1783557369 FZZBCVUZRZQTON-FDDCHVKYSA-N 457.458 0.348 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)c2n1 1786369066 KTQVAVCLZNPTNC-KKUMJFAQSA-N 484.517 0.020 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786698608 XWZILCAHIVXWDG-NXOAAHMSSA-N 450.536 0.546 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857273 FHYFLNFSYMUOHQ-OKYOBFRVSA-N 495.621 0.524 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787092476 WOYSGFFCPVRWPG-FJIDUMEYSA-N 477.566 0.512 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)O)C[C@@H]21 1788544017 BLPSLMGMPVGWSE-ICUGJSFKSA-N 498.577 0.152 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1789809292 ZJCFTQYMKCCXQG-HLXURNFRSA-N 481.590 0.785 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789927735 APUSLOUVNGOMJY-VPAKFMSCSA-N 483.606 0.815 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1789933832 BZUWTXFOUVPCCC-DWRORGKVSA-N 475.546 0.755 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]3C2)c(C#N)c1 1791286146 CCOHPRNFAVGETO-JLPWOHBFSA-N 473.526 0.705 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(C)=O)C[C@@H]21 1792266583 LQAHGYJKVQAVFR-JIWZOFCXSA-N 478.590 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1CS(C)(=O)=O)C2 1792563024 CQYORKYIPZMQSX-KHVGYNOKSA-N 460.556 0.736 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nn1 1794568214 KHNQLWRBENZNBT-CXHZTBPHSA-N 459.503 0.302 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N)NC(=O)OC(C)(C)C 1795581790 JVVFDHUQPSLAJC-AXVVYFOYSA-N 478.594 0.275 30 20 JCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)n(-c2cccc(=O)n2C)n1 1795933296 LOEGZIBEMUAJCP-CWPLJXCYSA-N 452.515 0.632 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1796336617 XPEHBYVAIXRUHQ-DMUMMCEESA-N 495.573 0.721 30 20 JCED COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799237670 YGVISDLFLJVWRZ-BBIADKPPSA-N 467.526 0.856 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1799248276 UZASMXBSJAWACR-XGYYKPKNSA-N 473.592 0.741 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1799256661 VHQIJXLVRMVVFR-IZZQQSIFSA-N 481.594 0.399 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1799304312 CYZVBRZJSQNSJE-MIVVTYSHSA-N 495.573 0.769 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C3)CC1 1800029616 INLJUZNOYSLATB-MHORFTMASA-N 490.605 0.758 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(n2ccnc2)CCCN(C(=O)OC(C)(C)C)C1 1800331987 SAFWWZXNCGANOI-DSPLJNTKSA-N 471.558 0.832 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCCC2=O)C3)N(C(=O)OC(C)(C)C)C1 1801104036 WBJJRYGLSUFEJM-NYUBLWNDSA-N 476.574 0.764 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)Cc2cccnc2)[C@H]1c1cccnc1 1802482946 ODUQEJMNGNXPCH-BBJHXUOXSA-N 462.554 0.911 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806083801 KLGNWWYTYXASRU-DYESRHJHSA-N 480.525 0.851 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806700626 BGFORBPBZWNRJY-SFHVURJKSA-N 456.609 0.749 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CN)C2)CC1 1809676580 GQTPOECUPDGELO-KRWDZBQOSA-N 481.594 0.982 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1810389466 ZFHVPPZWESLBKU-YZAJHNDGSA-N 452.471 0.351 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC#N)n[nH]2)n(C)c1=O 1817120685 ZXEBRDZMHJCOKX-CQSZACIVSA-N 467.490 0.153 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1819899835 AZPMPTKUETUTRM-ZWHBMUHMSA-N 464.504 0.136 30 20 JCED COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1820190422 CPTHTDHGGYCKFH-BCIQXSPZSA-N 450.565 0.678 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cc(C)c(O)nc2=O)CC1 1823749689 SLYXGOPIMGHSIE-QULHZPMSSA-N 471.558 0.735 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CNC(=O)C(F)(F)F)sc2C1 1826138812 HJYSGTGSJROVRI-OMMCCPJFSA-N 459.450 0.592 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1csnn1)CCN2C(=O)OCc1ccccc1 1828602375 FQEHXOKMCWBSNQ-JOCHJYFZSA-N 483.506 0.692 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310325 UHPHTOGMHIJGHP-XAEMIUIASA-N 474.583 0.893 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CC)NC(C)=O)CCO2)C1 1829864480 IQUMRAMCCVFTQU-AXHZCLLHSA-N 494.589 0.274 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1831425215 AHLBPNARWBHPPQ-WNSKOXEYSA-N 457.483 0.483 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1831433822 ZFHLZGLOOFITFF-NRAIQUKZSA-N 497.589 0.262 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1831999956 FCRQSWAEBVEYDX-YTZAWJCFSA-N 494.589 0.533 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OC)C2)C1 1832000044 FUBIGCAYONYHOM-PNLZDCPESA-N 455.552 0.947 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnn1C)CCO2)c1ccc(O)cc1 1833236738 RKJXKXITUWZDSA-YADARESESA-N 467.526 0.788 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)CNC(N)=O)CC2)CC1 1833610655 CVZOQGVBQLOGEC-SFHVURJKSA-N 480.610 0.696 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c(O)n1 1833699268 XKHAISJFQRNNPA-WZONZLPQSA-N 458.515 0.254 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833837530 DSWUPMKOUNQKCC-QFIPXVFZSA-N 453.455 0.203 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)c1cccc(=O)n1O 1833961801 GAWJULMUKJGVNE-OLCUMFGGSA-N 475.546 0.800 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccn(C)n2)CCO3)c(C#N)c1 1834248270 VQUSUFANCYEAKL-QHCPKHFHSA-N 453.499 0.613 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834973751 GIYUPDNXGPXAKB-GOSISDBHSA-N 468.562 0.766 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835357330 SRTSZPVEBCWHBP-IIBYNOLFSA-N 454.524 0.286 30 20 JCED CC(C)Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n(C)n1 1835674757 LWFUWQRCINZXMC-DEOSSOPVSA-N 474.606 0.970 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)Cn3cncn3)CC2)CC1 1835809969 SWBNQUDQEMQNBL-GOSISDBHSA-N 460.579 0.995 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1)[C@@H]1SC(=N)NC1=O 1836169991 NPEPJNHKBMUGTO-ACJLOTCBSA-N 471.587 0.874 30 20 JCED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837069513 PZFXCBKSZFYPNT-UHFFFAOYSA-N 473.661 0.635 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837200758 QJCXICUPRDSPSM-XMMPIXPASA-N 476.493 0.979 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1837429331 SRBBPWVBRWUXPZ-GCJKJVERSA-N 466.655 0.087 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cc2NC1=O 1837445191 IZZVPXXPKOWDTN-RMQUPCGASA-N 499.568 0.948 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1837526632 VCLULWGKLOLRGH-YWNQAFCESA-N 468.457 0.959 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529707 CHWWSVSUHWWYSX-OVFAMLIDSA-N 493.557 0.727 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533144 KKVHASBHNCXYCH-JAQCGGCRSA-N 463.535 0.505 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838036628 DKJUIWRYGCSGCA-WFIYKGMKSA-N 471.461 0.877 30 20 JCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1838126941 LVJROHFRWSHZHA-RRPYSREYSA-N 450.492 0.836 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)[C@H](C)ON=C(C)C)CC3)CC2)CC1 1838300511 SYQODGDFNCEOIA-IBGZPJMESA-N 479.622 0.950 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)c1 1838581626 DOHPQPBUJZZYED-XUZZJYLKSA-N 465.510 0.732 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598388 FHOSWXNNAJNUMU-IVZQSRNASA-N 460.918 0.972 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC(c5ccccc5)=NN4)C3)C2)c1 1838740321 KFHCGMIZDTUMLZ-QPPBQGQZSA-N 462.510 0.723 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839436581 BCWPOZNAZTWZBT-HYBUGGRVSA-N 469.542 0.910 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H]5CCC(=O)NC5)C4)C3)c2c1 1839486196 MYQDJNUXUYGBIR-QMHKHESXSA-N 466.498 0.031 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](N)Cc5cscn5)C4)C3)c2c1 1839487953 NMNOVNFNPTYYOY-MBSDFSHPSA-N 495.565 0.531 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnncc5C(=O)O)C4)C3)c2c1 1839488245 GVUTXPZMPAHJBL-QHCPKHFHSA-N 491.464 0.307 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCn5ccnn5)C4)C3)c2c1 1839489428 VNOVXJCGYDWBTE-QFIPXVFZSA-N 464.486 0.186 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839568651 DTIIFBXKQCVHKN-UZQCKINESA-N 453.499 0.263 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)CCO2)C1 1839726737 DXYFIYJWXPYENQ-NANGSVCXSA-N 485.581 0.117 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2)C1 1839805341 JNBLOYOWDYCBMV-UQBPGWFLSA-N 491.585 0.882 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1840055340 PNUPEDNDOUFNDA-KSFYIVLOSA-N 469.535 0.475 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840071722 GPFXATSIGMEXRN-KNXBSLHKSA-N 466.535 0.117 30 20 JCED CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840115848 JJVQUJORPUKOCZ-GAJHUEQPSA-N 481.546 0.328 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840344403 DXTTZTFVLMUGFK-NRUMPKIHSA-N 487.557 0.796 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1NC(C)=O)CCO2 1840722883 XKPUZKNIFJLYLE-HMLKYZKVSA-N 470.526 0.573 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(c4)NC(=O)CO5)C3)C2)CCC1 1840814220 VIDKWGZDWRDWOE-QHCPKHFHSA-N 454.483 0.781 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1840908529 CBYRZDIUWDFCAQ-DOWNOZBLSA-N 453.511 0.717 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1840909591 WWIYAMVORIQWCY-BSRJHKFKSA-N 490.561 0.212 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840963411 BPRVVRSYKRCEAD-KOSHJBKYSA-N 493.557 0.568 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CN)C2 1844215599 XUIJOKYLMGDNOR-JKSUJKDBSA-N 467.567 0.590 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3c(C(=O)OCC)ncn3C2)C1 1845861700 YDOVHWLZXXBKLK-JJEJIETFSA-N 469.542 0.684 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3F)CC2)cc1 10452464 GKIKAAFWTXELIE-UHFFFAOYSA-N 480.543 0.899 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(OCc3ccccc3F)c2)c(=O)n1CC(N)=O 524281046 CSOJOOBTJSADBF-UHFFFAOYSA-N 492.532 0.895 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 603442267 PTKYERFQRNULQR-LBPRGKRZSA-N 485.950 0.378 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1 603788010 OSZPGFXQGHFDPN-UHFFFAOYSA-N 461.547 0.245 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)C1=O 623209531 MUCDZYHGDPPBDI-HNNXBMFYSA-N 452.471 0.919 30 20 JCED COCCOc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c1=O)OCO2 726577263 KZEWCLURTALQSP-UHFFFAOYSA-N 490.497 0.778 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC(F)(F)F)cc2)c(=O)n1CC(N)=O 727161336 WDXIKDAWANCUIS-UHFFFAOYSA-N 468.482 0.812 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 728533897 CQUPGPAAGWQVPT-UHFFFAOYSA-N 498.561 0.766 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2Br)c1=O 729670918 BHTKXAGGJSQZAC-UHFFFAOYSA-N 496.408 0.499 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CO3)CC1 749966169 DTZSNZNURRNFRU-UHFFFAOYSA-N 484.490 0.579 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC(F)F)cc2)c1=O 838176107 QESACWGVRGTPNZ-CYBMUJFWSA-N 467.494 0.812 30 20 JCED Cn1c(=O)n(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccc21 839288265 NMKSTLCIUQYBGB-UHFFFAOYSA-N 497.533 0.288 30 20 JCED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 916942857 OGICGQLSYPPCLU-HNNXBMFYSA-N 466.454 0.348 30 20 JCED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 917037834 CIHGSDMYUFELHN-LJQANCHMSA-N 470.507 0.455 30 20 JCED N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(C(F)(F)F)c1 918539165 YVHFKXIDPYOEMG-NWDGAFQWSA-N 479.458 0.418 30 20 JCED C[C@@H](Sc1ncccn1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919626568 SISYVHRTXVDPQN-OAHLLOKOSA-N 475.552 0.905 30 20 JCED CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCOC1 1315279471 YFKPUYDWPIPGRI-DEOSSOPVSA-N 483.573 0.744 30 20 JCED Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)CC2)cn1C 1455477787 ZKAKKBKFPFKBAQ-UHFFFAOYSA-N 457.560 0.745 30 20 JCED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1505321603 UEGGBPPSQYSRTF-GOSISDBHSA-N 455.494 0.741 30 20 JCED C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)C1 1611775048 RAGCOJKJVNUFQQ-OAQYLSRUSA-N 489.627 0.897 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1696630952 KBOZJZMPVXBNIE-INIZCTEOSA-N 452.562 0.331 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1=O 1712486521 PYLPLSYFRGILBA-SFHVURJKSA-N 487.586 0.393 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1723660832 IUYRBMCQWGDMRS-SFHVURJKSA-N 457.560 0.956 30 20 JCED CC[C@H](C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1743853226 ISUZFWSDAQIISG-LZLYRXPVSA-N 452.629 0.795 30 20 JCED CN(C)CCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1766928542 MJJHSNQJISXFQS-RXVVDRJESA-N 467.615 0.896 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2CCOCC2)C1 1770350526 NBYCLSRKTHYOEP-IRXDYDNUSA-N 454.553 0.156 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1778921318 LPPUDJJDCVOUFP-MFEFFIJZSA-N 497.593 0.217 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1779102323 XNWLNKFRHSSFJX-ITHRCRDSSA-N 487.557 0.891 30 20 JCED Cn1c(=O)n(CC(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)c2ccccc21 1779136826 VFLNGPSKQLLGSX-ZVWIGDQWSA-N 465.510 0.882 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@H]2CCCCO2)C3)no1 1779434171 OEEZSBBJAZRLBS-CABXHZJKSA-N 491.545 0.756 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3nccnc3C(N)=O)C2)ccc1F 1779941254 DEUIQFACXJIRGL-HOYKHHGWSA-N 480.500 0.956 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCNC(=S)NC)C2 1780738659 VJVNGIRJUCBTSG-IIBYNOLFSA-N 454.593 0.494 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1780797595 HLDDKHRNZFMZDU-HYBUGGRVSA-N 481.590 0.890 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1781290477 HNZJFDAAEVZNNA-HKARXFIJSA-N 482.578 0.739 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc6n(n5)CCNC6=O)CCO4)C3)c2c1 1782194864 OQBRSHREQSPLDS-QHCPKHFHSA-N 474.481 0.132 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195074 MSXDARWYUQJYEA-FPTDNZKUSA-N 453.503 0.586 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@@]3(C1)CN(C(=O)C1(C#N)CC1)CCO3)C2 1782851615 IIHMCOUQVRNSGV-QMHKHESXSA-N 455.515 0.756 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783180413 VPVIMFRKRYDPDK-ZWWNWMABSA-N 450.536 0.258 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783192631 RKSQERPTYNPMJE-YOSAUDMPSA-N 473.501 0.475 30 20 JCED Cn1cc(-n2cc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)c3ccccc32)cn1 1783561643 DGOXGYVYEHOLLB-DEOSSOPVSA-N 461.478 0.896 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1783864667 GVSQJBPCTALSFL-KVDGMFCJSA-N 496.630 0.932 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)C1 1784385574 VJLMUFFYRKRGDT-FSGKZVOOSA-N 461.559 0.607 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785367536 VLAWJRJJXNOKTP-OPAMFIHVSA-N 450.536 0.786 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785746736 MCZAMXGMAYAWGA-SBUREZEXSA-N 463.531 0.942 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3NC(=O)C4=O)[C@H]2C1 1788436330 XUXSCLOXLHMVEJ-WBAXXEDZSA-N 469.494 0.924 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)cn1 1788677844 GRJHIGYUJPBGMM-FUNHSSOGSA-N 488.566 0.932 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C[C@@H]32)c1 1789507884 RPHVKTVOWIWQDX-BXWFABGCSA-N 469.523 0.617 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791314976 CZDXSUKEFRYZNE-ZOBUZTSGSA-N 468.432 0.595 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792238495 ICZQPMZGSTVUQT-KKUMJFAQSA-N 467.617 0.108 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CNC2=O)N(C(=O)OC(C)(C)C)C1 1794012663 HRGPRHIYXVLCSZ-YVSFHVDLSA-N 475.546 0.742 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccn(Cc2ccc(F)cc2)c1=O 1794726063 OAIFBFDQLOAYJM-BCDXTJNWSA-N 452.442 0.771 30 20 JCED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N)C(=O)c1ccccc1 1795597440 KRBVXGMCWFAXBX-CEQLMSFQSA-N 455.559 0.630 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1796394555 QFPBIQPQCLNACA-JTJHWIPRSA-N 493.601 0.814 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1797729891 VNRGTKPBSNDZAO-FEJSZKPUSA-N 459.619 0.942 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1797742407 UHAZDNPRJOTFFV-GISGIKCKSA-N 453.499 0.496 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sc3nccnc3c1N)C2 1799304835 AGLIKVNPMBBQKP-YWVIFJGQSA-N 459.528 0.986 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1799353404 HVWMTCJCRGTUJK-YYQAZUDOSA-N 498.577 0.381 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(c2ccccc2)=NN1 1800151192 JQFHOPPHCIHYLE-MJRBERDRSA-N 451.527 0.201 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2)c1ccc(O)cc1 1801056352 XJSLHNYWBWNDAP-CXXHRNMOSA-N 471.554 0.630 30 20 JCED Cn1ncc(I)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988290 GQUGKPNWGTUMHE-JGPRNRPPSA-N 456.240 0.365 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2)C(C)(C)O 1802151650 JLKNJJQAIDVXCC-CYGHRXIMSA-N 475.546 0.754 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](N)Cc2cccnc2)[C@H]1c1cccnc1 1808355038 KJCKJPROMGWCBA-HDCCZPKPSA-N 462.554 0.911 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1810331813 ONHNUEKGZAZMLP-XUZZJYLKSA-N 472.586 0.073 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C/N=C/c3ccco3)[C@H]2c2cccnc2)CC1 1810393711 VXUZBFSIRZSZSU-WLIQDDFFSA-N 480.569 0.964 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1812713845 CGBCWWGCTDNZTM-YKSBVNFPSA-N 481.553 0.568 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=N)N)[C@H]1c1cccnc1 1814207401 IOHJYPNMGDKADW-LNLFQRSKSA-N 471.562 0.487 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NNC(=O)C1)CC2 1828283786 DQDIZPAWVUXGQC-YPMHNXCESA-N 474.543 0.848 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnnn3C)CCN2C(=O)OCc2ccccc2)C1 1828642193 RZMLXGIKUPGPHG-CLOONOSVSA-N 494.552 0.919 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)CC1 1828920020 UTUNUSXUOZPHNZ-UUOWRZLLSA-N 481.509 0.851 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCN2C(=O)OCc2ccccc2)C1 1829013234 OXYZBCDDDDLVFR-CJFMBICVSA-N 494.552 0.769 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3c(C)cccc3C)C2)C1 1829768789 HKVDNLFZRHGECQ-RRFNBQSRSA-N 484.553 0.557 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830467999 BVGKQLUAHIWLQW-SBUREZEXSA-N 459.930 0.839 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830592596 UCYJWGNDQLUKGS-HXOBKFHXSA-N 465.547 0.891 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831175027 SQRYAKHBAMFGTC-KOSHJBKYSA-N 456.543 0.862 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1831431247 CQUMVDSYOHESIF-BTYIYWSLSA-N 462.528 0.417 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832162728 QWAMWNPYROGYLM-MSOLQXFVSA-N 452.426 0.266 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1832448556 YFGWGBHVVNAVTL-ZHRMCQFGSA-N 491.610 0.541 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1835100354 NWPIDLNRECJDRA-VWLOTQADSA-N 473.489 0.211 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCOCC2)CCO3)ccc1F 1835398062 BRMPMDCLEPNTCY-QHCPKHFHSA-N 460.506 0.028 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c(O)n1 1835508699 PJSQQFLBYFTTIW-NRFANRHFSA-N 463.560 0.602 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1835677234 CMDFWDCCKYKDJC-HSZRJFAPSA-N 454.531 0.686 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1835781883 ROLJFFJMFWLCAT-VRMLFSPKSA-N 464.588 0.847 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836168895 OKTNCIZQOHKMEH-HNNXBMFYSA-N 464.592 0.399 30 20 JCED N#Cc1cccc(CCC(=O)N2CCC(OC3CCN(C(=O)CN(CCO)CCO)CC3)CC2)c1 1836647425 XLVYVACFDWWIRP-UHFFFAOYSA-N 486.613 0.776 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836815925 WPFQTXUZKFPTIA-XMMPIXPASA-N 476.493 0.979 30 20 JCED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1836880759 JGSFMLNBLRQUFZ-SFHVURJKSA-N 462.576 0.984 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)cc1C#N 1837367732 SOIBWVKSSXMSNT-HSZRJFAPSA-N 469.498 0.291 30 20 JCED COc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc1F 1837488454 HDLWLQCACXTZSH-DEOSSOPVSA-N 475.517 0.998 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837524239 CXPQOQNJMAYNFR-UZXXWRCNSA-N 489.529 0.639 30 20 JCED COc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524262 DIYKEMAADKEAMS-GIFRWZEPSA-N 462.503 0.689 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524862 ICMVGOKXLMBZTO-CGMRMJDQSA-N 452.552 0.456 30 20 JCED CC(C)n1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837528389 IPAPWSVGPAONPG-OGDVTRPRSA-N 464.523 0.458 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559795 IDFUMXCGOBMECJ-JFOGYLRVSA-N 453.517 0.061 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837629935 UODAQEZLIPQULO-KPSNGJBRSA-N 475.502 0.006 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccc3Br)CCO2)C1 1838073497 FDVORSFCQJVVII-MGPUTAFESA-N 466.332 0.952 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)[C@@H](C)O3)CCO2 1838586109 XUHLEIGPWNRFFB-JMAPPONOSA-N 498.536 0.334 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838626469 UEYDEEJSAXNEAS-OAQYLSRUSA-N 460.443 0.943 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838635589 PYADZXUHJKQNEG-UHFFFAOYSA-N 481.546 0.614 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)c1 1838642904 RHGNYTGGQODNAU-WAIKUNEKSA-N 451.483 0.781 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)cc1 1838950101 BTRJYUVZOKHAKT-XMMPIXPASA-N 465.510 0.776 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839036406 BFDVIJIDNUJQTM-HJPURHCSSA-N 458.490 0.704 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)N1CCN(C)CC1 1839187730 SNMDMABGYVEGED-DFBJGRDBSA-N 487.576 0.332 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1839224687 NUOBKXFCSQMXIZ-RTEYEHBSSA-N 469.564 0.046 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccccc5C(N)=O)CCO4)C3)c2c1 1839351414 HUILXPOSAIZLHA-RUZDIDTESA-N 488.504 0.917 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1839801637 UDLDQNUQZNHRLU-KKSFZXQISA-N 470.613 0.797 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1839886978 SQYFEBPVRGUUHR-HFJQGTKSSA-N 495.523 0.834 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840018850 IPUXERMJAIDUMV-FYNLTWRRSA-N 461.559 0.969 30 20 JCED COc1cc2c(O)cccc2cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044596 NHDQDVZUOVQCRB-DEOSSOPVSA-N 468.462 0.712 30 20 JCED CCn1c(-n2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](C)S)CCO4)cc2C)cccc1=O 1840159842 PCSOJKRQLLMFOH-GAJHUEQPSA-N 489.598 0.751 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(Cc3ccco3)C(=O)OCC)CCO2)C1 1840340331 DNTADWOWWYFHOH-NTKDMRAZSA-N 491.541 0.733 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1cccnc1)CCO2 1840449383 CVFNGFTWJXBWNV-YRTIDYAOSA-N 458.515 0.164 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 1845137427 UFZXFIRMRCELQI-SFHVURJKSA-N 491.589 0.882 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846196949 GEJFJTMVVRQQBL-FCEWJHQRSA-N 461.515 0.550 30 20 JCED COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 13312894 QHBXQAQKHLZOFC-UHFFFAOYSA-N 465.509 0.960 30 20 JCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 18587927 QFVDHLHORHUILX-OAHLLOKOSA-N 474.539 0.734 30 20 JCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 520083863 AKMBSSNTAWHCLA-UHFFFAOYSA-N 491.552 0.637 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(OC)nc3)c2=O)cc1 524275293 WKYOCBMENXGWFJ-UHFFFAOYSA-N 478.530 0.673 30 20 JCED CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CC2CCN(S(C)(=O)=O)CC2)C1=O 726115344 PUQBDMDLIAPJPF-LRWZUSMTSA-N 467.617 0.732 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCc1ccc(OCC#N)cc1 727949401 RBWVJVIHKXGWQG-UHFFFAOYSA-N 488.522 0.873 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1cc(C)ccc1F 744116817 QKRKVMLCNVECOB-UHFFFAOYSA-N 469.542 0.963 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3sc(S(N)(=O)=O)cc3C)CC2)o1 746618895 JKKKCKAPTPGHMB-UHFFFAOYSA-N 453.502 0.378 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc(OC)cc2)CC1 839264332 VJUYGIUGWGEUTQ-UHFFFAOYSA-N 478.578 0.308 30 20 JCED CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S)n2N=Cc2cn(C)c(=O)n(C)c2=O)c1 839393174 SVPKWZOZXZONJW-UHFFFAOYSA-N 477.572 0.544 30 20 JCED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NC(=O)NCC(F)(F)F 900265827 OQJQBZSFZXOMKP-JTQLQIEISA-N 450.395 0.812 30 20 JCED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 917021290 UNTNCAGJCFENID-IBGZPJMESA-N 497.533 0.470 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507786433 VOXLCPKKXMHQMJ-CYBMUJFWSA-N 496.453 0.997 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C#N)C1 1552885665 LEVQZJMSMOFVDU-INIZCTEOSA-N 456.532 0.955 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CCN1S(C)(=O)=O 1555958819 APKYXPSERUDIDR-KKSFZXQISA-N 476.559 0.350 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CN2CCOCC2)c1 1611711739 SJSPANDDSZKJQO-FXAWDEMLSA-N 489.602 0.498 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1617391111 SGCMTMVXECVGCU-UHFFFAOYSA-N 469.575 0.816 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCSC2)c1 1747603287 UOLPDXRYDAFWEJ-JXFKEZNVSA-N 478.600 0.792 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1751096200 NOROOEIMMRQBKZ-UONOGXRCSA-N 467.518 0.843 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1763203971 IKGHKXAAJPGJKJ-SJLPKXTDSA-N 457.560 0.813 30 20 JCED Cn1cc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NCC(F)F)CC2=O)cn1 1767475031 YRGDJLIJKHCIPG-UHFFFAOYSA-N 499.482 0.697 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768294347 WQETWCGSXUVXTR-IBGZPJMESA-N 454.560 0.933 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1779019152 DGXSURYHIKRFEY-UKKLRFBMSA-N 458.544 0.671 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1779176878 MWGHZIVATTZVJE-XDHUDOTRSA-N 462.510 0.539 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779360536 ABKMDSCVMRZCKL-PQWKGXQHSA-N 471.624 0.300 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1779429003 SKWRWMBOVWFMOI-NPPVZQLHSA-N 471.576 0.607 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4c[nH]nc4cc3Br)C2)C1 1780086431 BTDRQPVWEOWWKS-IBGZPJMESA-N 461.272 0.857 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1 1781205063 WTWTZCMTAJWXAQ-DYESRHJHSA-N 459.528 0.607 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1781295614 NKDRUNMYEWOSTO-QQMNAOGKSA-N 464.563 0.812 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781903286 UENZAXPBFIMJOY-UZLBHIALSA-N 495.330 0.829 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782641093 WKHZDYAAZKVULM-KSFYIVLOSA-N 483.635 0.770 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783243844 JJKXNHHATUEILR-STXHMFSFSA-N 453.586 0.399 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)Nc3cc(C)on3)C[C@@H]21 1783531294 NAAIBKBNKBLDSX-YPHDOGSUSA-N 459.503 0.150 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccccc3)C[C@@H]21 1783535794 UJOPIRGNHCZUHP-LEBGWRHOSA-N 468.554 0.645 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1783614994 JSNLMNXLDXYBKH-WLENULPWSA-N 473.530 0.700 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783769013 MCKWACAQVUWKQK-WAIKUNEKSA-N 491.545 0.860 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)CCSC)C2)C1 1783977905 YELXXEGHFGQJDN-HOIFWPIMSA-N 469.604 0.847 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1785598549 UEMIRRZCCNBQDW-UJUVCNOISA-N 466.535 0.642 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1785623223 ASBQHOVUJPAERJ-OPAMFIHVSA-N 480.566 0.462 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(=O)n6[nH]cnc6n5)[C@H]4C3)c2c1 1786978894 ISBONYKXBWGNSB-YEWWUXTCSA-N 487.480 0.073 30 20 JCED CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)Cc5ccc(F)c(C#N)c5)C[C@@H]43)CC2)CC1 1789807146 SRSIRXJHBHIGDO-RRPUWOKSSA-N 483.588 1.000 30 20 JCED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C[C@@H]32)cc1 1790142293 LLQDCTZKPRCULA-ZWOKBUDYSA-N 483.550 0.811 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21)C(C)(C)S 1791192266 SBKVLOXCEKULLO-QBYUYEEZSA-N 497.622 0.255 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OCC)C[C@@H]21)c1ccc(O)cc1 1791336421 YNUAPKXEODWCGJ-JWKIXQPRSA-N 487.553 0.933 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3CC3)C[C@H]1CO2 1793262349 AHCDJIWOZAXOEP-DURIQHOJSA-N 459.543 0.768 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1793310310 SQINJFLMELXKDB-RMYQPGKMSA-N 462.572 0.408 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CNC2=O)ccc1Br 1793763985 YJPMDGMPUOHWII-ZSBFGKGUSA-N 490.314 0.076 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccc2nc(CO)[nH]c2c1 1796870334 CVDOFEKTCKVTAH-SSJCNKTBSA-N 471.514 0.787 30 20 JCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)nc3cccnn23)c1 1798497092 YZRLZLBQEYHASW-NHKMSHSESA-N 472.505 0.797 30 20 JCED COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1799383118 CVICKIUKOVXRQO-CEQLMSFQSA-N 467.563 0.356 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccncc2=O)C3)ccc1Br 1799711176 ZACBCHUUXWEZIX-CWPLJXCYSA-N 486.326 0.781 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(NC(=O)c2ccco2)cc1 1799845353 ZKNFRXVYUDIUCW-VPTLXERWSA-N 451.435 0.823 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H]3CCCS3(=O)=O)C4)c2c1 1799885322 AALNCMMOEQIPDC-DACLVMHWSA-N 457.512 0.215 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1nc2ccc(F)cn2n1 1800133705 YJUGVYFJVHHONA-KJOFTXCUSA-N 460.466 0.601 30 20 JCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)cn2[nH]cnc(=O)c12 1801991929 KGMMUMNDIVVVAD-UPHUGPLXSA-N 476.493 0.485 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCOCCOCc1ccccc1)C2 1801993332 OUWGDTPQPLVXJY-WKCHPHFGSA-N 458.511 0.963 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Nc1cnccn1)C2 1802125804 VCBAJDXZSLMAIP-IPLXSBJHSA-N 486.573 0.783 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2)C(C)(C)O 1802151971 ONNXYNZIDBHMBF-QKPAOTATSA-N 452.552 0.790 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2c2cccnc2)cc1 1810348135 IRWBUPSPOJEQIJ-GZGNHOFSSA-N 463.538 0.852 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)/C=C/C(=O)NCc2ccco2)[C@@H]1c1cccnc1 1812881639 YCZPNUQLXMPWSK-HZXAIQCSSA-N 450.451 0.641 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818895608 XIHUYRXIFOCJLC-CRAIPNDOSA-N 463.604 0.792 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCNC4=O)sc2C1 1818910295 NGEDNVSASDSOEW-OLZOCXBDSA-N 456.528 0.737 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828811251 XJGCUWXSOLAVLG-DNQXCXABSA-N 486.525 0.968 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CNC(=N)N)CCN3C(=O)OCc3ccccc3)C2)c1 1828974965 RMCOUKNDZAYGHW-DEOSSOPVSA-N 492.540 0.435 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CSCC(=O)O)CCN2C(=O)OCc1ccccc1 1829360597 LNCMVECBHQAVKA-JOCHJYFZSA-N 459.524 0.890 30 20 JCED C/C(=C/C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(=O)O 1829460351 LHJKRIUNUINVJR-LJSORYGZSA-N 483.477 0.557 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C3)C2)C1 1829675364 ZRRXQYVKUWOULQ-HOYKHHGWSA-N 495.573 0.865 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(N(C)C)c3)C2)C1 1829768792 HVVCWRLBLKNHSV-KWQGRVAKSA-N 486.569 0.690 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1830462975 RSHRDAYFQSTHMB-NRFANRHFSA-N 482.459 0.626 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830971840 QWWUBEWVEKVIQG-DVECYGJZSA-N 487.557 0.392 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831214928 CMXBJDFRFGVDLS-DEOSSOPVSA-N 454.527 0.402 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1831402435 YUMBYERPTGVQRO-NUQURWJTSA-N 491.585 0.738 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1831435058 JYQAUOSBJLFYRD-DQMJNTIXSA-N 497.589 0.718 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)cc1 1832251427 QWSJUZIIQFTHPI-SFHVURJKSA-N 473.379 0.983 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(CO)CC3)CCO2)C1 1832519115 XKHWXGPWYZXZLC-MTNXOHHFSA-N 450.580 0.523 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832748832 AORWOFPEBLSQON-NTKDMRAZSA-N 471.579 0.966 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)ccc1F 1832800692 XTNWAHULMMAOOV-JOCHJYFZSA-N 486.460 0.501 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1833396052 CCGANULCCSPCAF-HXUWFJFHSA-N 469.585 0.474 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833980954 BBYDFWICERZGJE-GAJHUEQPSA-N 473.530 0.463 30 20 JCED CC(C)(C)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835617809 CFONBJZMWLVCHM-QHCPKHFHSA-N 454.531 0.893 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)c(O)n1 1835646975 NORVMPWMKQGEGX-QFIPXVFZSA-N 477.587 0.993 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1835713233 KRQQNECEWFTPJT-LAUBAEHRSA-N 486.617 0.740 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1835717899 RQZYVTPUMIKLQT-MRXNPFEDSA-N 462.513 0.810 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c1I 1836233560 YUHQMCFHZZSSFC-QGZVFWFLSA-N 487.298 0.560 30 20 JCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)N1CCN(C)CC1 1836374181 RTYABNTVDMJFIF-AHDHHBBCSA-N 472.634 0.906 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1 1836388360 MGRSHKWCJFYWQB-IBGZPJMESA-N 480.606 0.566 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(CCOC)n3)CCO2)C1 1836551062 COIQSUSBNXLUFX-GCJKJVERSA-N 450.536 0.173 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1836727337 DOGSAWIAGVZGSE-NHCUHLMSSA-N 454.499 0.706 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836787817 ZTYAVFRHYYJJNP-XMMPIXPASA-N 469.542 0.533 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837078244 BCMRHPFAQHAWTR-HLJFKENESA-N 471.514 0.933 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1837443291 CKCDKXCKXBABRR-MHRHTVJOSA-N 462.576 0.957 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837443401 JHLJFSKRLPRTBK-ORMFSKTFSA-N 455.519 0.500 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1837489451 HGUPAUFQWDWZRC-HXUWFJFHSA-N 458.458 0.251 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1837526769 GCJYXEMVUGTXFJ-XZCAYTCKSA-N 464.475 0.092 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837643094 HCCOXDJWDQWNFZ-VRJXGNDESA-N 473.555 0.871 30 20 JCED CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1837770201 RYOOFUHRKSEMRX-UHFFFAOYSA-N 454.589 0.728 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)cc1 1837791612 VHOKNEHZNFONAS-OAQYLSRUSA-N 454.443 0.502 30 20 JCED CN1CCN(CC(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)CC1 1838285211 FMWAPJFPGOHSRZ-XSICDPOBSA-N 479.622 0.761 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838414492 FFXCFCACCJHOLH-UZLBHIALSA-N 466.585 0.780 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)CCO2)C1 1838483688 NNEBGJWNBHBLMN-FPTDNZKUSA-N 457.556 0.959 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c1 1838503394 SSDWLSSAKOAQJS-RUZDIDTESA-N 488.504 0.653 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(OC)nn4)C3)C2)c1 1838582352 LDUDIHINQQNCAF-HSZRJFAPSA-N 467.482 0.749 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)ccc1F 1838805202 HADPFWVTBZGWRV-QFIPXVFZSA-N 458.446 0.490 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)N1CCN(C)CC1 1839104636 IGCKXWIFXFLENA-NBGIEHNGSA-N 485.585 0.029 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138960 SLVFAYYMMAYCOT-MBSDFSHPSA-N 485.578 0.575 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1839174257 PFLGGDAYWNUCOH-OAQYLSRUSA-N 452.483 0.447 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)ccc1F 1839185913 QOPYMAMISNMIEO-HSZRJFAPSA-N 453.474 0.729 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839224579 MMUUJEQTMHJVBY-DYESRHJHSA-N 451.524 0.400 30 20 JCED CN1N=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)CCC1=O 1839419671 OYOJGLTYONKGPO-JOCHJYFZSA-N 457.462 0.376 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839447898 COABKTVVEHALTP-IRCLMUFRSA-N 463.487 0.697 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839513724 ZDDCJOCKZIHJTI-PODSUIKTSA-N 482.541 0.877 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN(Cc1ccccc1)c1ccn(C)n1)CCO2 1839724781 UFLSITSJDHXNET-VWLOTQADSA-N 465.554 0.906 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CCO2)C1 1840009667 PILYHGGMHQOSQD-GEZZUNRVSA-N 491.585 0.594 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(c4ccccc4)CC3)C2)C1 1840039813 IEQVAPAQTUHYOE-XMMPIXPASA-N 455.511 0.447 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)cc3O)C2)C1 1840043835 WQEDTXLRFISVLI-LJQANCHMSA-N 467.272 0.313 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1840082636 HSHJICVAOWVPGM-NRFANRHFSA-N 494.532 0.350 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CSCC(=O)O)CCO3)cc1 1840190094 DSRCFORHLZLTRF-QFIPXVFZSA-N 461.540 0.765 30 20 JCED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840199272 VKSCUEAFFQSOMV-KYPGUPDXSA-N 459.565 0.086 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840839832 IEXVRCYOAYALIZ-XAQFPSJXSA-N 493.557 0.943 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840908794 HBRNERGHSNGPMP-ZHRRBRCNSA-N 497.618 0.376 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1842920064 IEWWPXUFUNGQOE-UHFFFAOYSA-N 453.503 0.777 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1846282795 OEFGSTNLNPGFJT-PCCBWWKXSA-N 497.596 0.920 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CC(N)=O 1847858420 RVJQEAVSURSBCJ-QZWWFDLISA-N 495.577 0.505 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 10792399 OINXMDNNTHSSNP-ZDUSSCGKSA-N 467.525 0.982 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)cc1 503303383 PNXFQXBQHIKJGH-UHFFFAOYSA-N 469.479 0.361 30 20 JCED CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 518132501 GOPHJPCFIQIBNL-UHFFFAOYSA-N 469.523 0.780 30 20 JCED Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O 589157038 FEGGCHDITRYDCQ-UHFFFAOYSA-N 494.533 0.871 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Cl)c4c(c3)OCCO4)c(=O)n2C)CC1 590983179 HVCDHRCDXRYJEG-UHFFFAOYSA-N 474.970 0.539 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3ncccc3c2)c1=O 604269939 JWEPJZOOGFFKQY-UHFFFAOYSA-N 461.547 0.672 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C 604434480 UYLVPQPVHKTKOU-UHFFFAOYSA-N 474.495 0.172 30 20 JCED CC(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 729883476 CASKLIUYXQRVOB-CLCOLTQESA-N 463.560 0.813 30 20 JCED CN1/C(=C\C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C(C)(C)c2ccccc21 825370756 ZMPFSEARXBVUSS-YVLHZVERSA-N 451.483 0.858 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O 916199539 HZTXEXYPCWULIQ-UHFFFAOYSA-N 478.914 0.480 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nnc3n(C)c(=O)c4sccc4n23)c1 919021307 ZXNUOSYMTGMARF-UHFFFAOYSA-N 457.493 0.911 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CN2CCCS2(=O)=O)CC1 919362741 IZHWOVRRTLWDIH-UHFFFAOYSA-N 463.472 0.034 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1503462534 TZTMLKJDEZSQSM-LJQANCHMSA-N 470.559 0.901 30 20 JCED C[C@H]1C[C@@H](C)CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1512007966 UCUQICQZYKRINK-WCIQWLHISA-N 495.650 0.708 30 20 JCED N#Cc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 1542684291 ZCPCEVUIRFBLHA-KRWDZBQOSA-N 453.524 0.907 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589295741 JRRRJQHMGXLMLL-LBPRGKRZSA-N 499.457 0.657 30 20 JCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CC(=O)N(CCOC)C1 1614028902 SSKDKMIZUCEETN-SJORKVTESA-N 453.551 0.712 30 20 JCED CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1690767563 LTBQOSYFWVWUPV-JOCHJYFZSA-N 472.571 0.813 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1712101111 PCADEILBZFAVCP-UYAOXDASSA-N 490.586 0.862 30 20 JCED CS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1731019992 QEWNGTNBYYZMJN-GOSISDBHSA-N 459.576 0.920 30 20 JCED CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1747542637 QQIJDUNZNNZYLM-KRWDZBQOSA-N 457.560 0.467 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCC(=O)N(C)C 1750965576 SBPFRTNASHIZBQ-UHFFFAOYSA-N 453.551 0.878 30 20 JCED CCS(=O)(=O)NCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768302258 GPMCNADFCZWBKB-SFHVURJKSA-N 461.596 0.256 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779041393 CJZVVYKMTRBNMU-ZGNKEGEESA-N 495.646 0.770 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c(C#N)c1 1779386298 FEZBCBZTCGFXDO-OAQYLSRUSA-N 454.443 0.884 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1Cl 1779879227 ZOQUDLKNZXFKAJ-OAQYLSRUSA-N 454.874 0.858 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)c(O)n1 1781094128 JAFSWDAODRDBPX-KBMIEXCESA-N 471.602 0.985 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)ccc1Br 1781902185 CHPMTVKHABDJGC-JXFKEZNVSA-N 478.347 0.357 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782194883 KPJCLIUDGXNPQR-AUSIDOKSSA-N 483.481 0.373 30 20 JCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2)C(F)(F)F 1783202277 FYBDXLGBUBPJEZ-HXPMCKFVSA-N 456.421 0.941 30 20 JCED C=C(C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1)C(F)(F)F 1783206138 AWJHPXXNWIUSRA-GOSISDBHSA-N 458.462 0.840 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)c1ccc(O)cc1 1784019415 HBKOXQLFBNPCGP-CJFMBICVSA-N 464.522 0.976 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1784474048 AZPVANLAXOVBEF-BCRJPVCJSA-N 493.601 0.622 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1788573953 WWYMCCNOZVJDMM-VPAKFMSCSA-N 483.606 0.815 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1788659617 QUPXCPGKEJWPHV-CPERWTOYSA-N 481.575 0.298 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1 1788670018 LKLYVTLMZQEJNK-BQFCYCMXSA-N 462.503 0.202 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(OC)nn3)[C@H]2C1 1789106729 XKHHQTHGKQSNRH-DKKFBQAASA-N 487.557 0.995 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]32)c1 1789256206 WLUCJOOHNIATOK-QHERXFFYSA-N 463.556 0.841 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21)NC(=O)OC(C)(C)C 1792108995 NFIGENSEVBHTJC-PJVZLEMVSA-N 478.590 0.962 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)C(C)C)C[C@@H]21 1792255388 KGLIUAIKBZNULL-VMXHOPILSA-N 451.564 0.900 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)C1 1792528886 LEKVPRYTYOXUHP-IKJLZNBSSA-N 474.558 0.763 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(O)C(F)(F)F 1793698323 GDYSWSSEEYUTQX-SGQRUEDASA-N 477.480 0.806 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccccc1)C2 1795597655 RELQXRCBPMPHST-IJVIZSLASA-N 467.570 0.730 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C 1795963401 YXXNGIBZAPUQME-QXCZDIPSSA-N 492.621 0.819 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)NC2)C3)c(C(F)(F)F)n1 1795994165 MGKVMCBLIIEUMN-KOFHJDLBSA-N 465.432 0.701 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2ncc(C(F)(F)F)cc12 1797433569 OJKJGADOOOUXHO-YQYWCBKUSA-N 450.373 0.873 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOC)C2 1797669464 SXEIOENIAJUKMQ-SFNKJDCFSA-N 498.577 0.418 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798499081 SUFZPGALOBZFIU-GPVSGQMNSA-N 474.477 0.243 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC=O 1799295633 XCGANXUZLBIWEO-KVWRPFDZSA-N 450.536 0.180 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C4)c2c1 1799885336 BYYGJZRWXLGCKT-YVWYUNDQSA-N 491.464 0.408 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2)C(F)(F)F 1800550293 ZVLRVKOSMPDPCR-YIDVYQOGSA-N 477.480 0.922 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1802139984 XEOYLOSRJHVMKF-FZQIVQGWSA-N 480.562 0.108 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807026362 SGKDJLMBRXOPCI-XYJFISCASA-N 454.464 0.385 30 20 JCED O=C(NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807946504 SBROKPDEVZCEEM-DYESRHJHSA-N 490.524 0.226 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)c(C#N)c1 1808167704 WBWQVUMYSULNRS-NSXLHWASSA-N 478.553 0.803 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)[nH]n1 1814433830 ICYHMYLHIASGMA-NRXPATIISA-N 466.564 0.588 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1815769957 XDHRSUAUJAHBPM-HOTGVXAUSA-N 456.503 0.699 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817814614 MRVHGKMIUSGYMN-CQSZACIVSA-N 467.494 0.123 30 20 JCED NC(=O)c1nccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819953747 WVDLSSBUIALOQC-LCRYFQBLSA-N 453.484 0.970 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC4)c2c1 1823889278 KPTWMPYHTMNAGL-YPMHNXCESA-N 466.527 0.710 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1828029797 FABNNGCMAJINGC-QVKFZJNVSA-N 471.539 0.656 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1csnn1)CCN2C(=O)OCc1ccccc1 1828602376 FQEHXOKMCWBSNQ-QFIPXVFZSA-N 483.506 0.692 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCN2C(=O)OCc2ccccc2)C1 1829013238 OXYZBCDDDDLVFR-NBGIEHNGSA-N 494.552 0.769 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)CCO2 1829845598 DJOQXILFXPJKNV-HKARXFIJSA-N 499.630 0.930 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]13COC[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1829846609 ZDGPTHDKOSKNBZ-ODYPEACGSA-N 499.630 0.645 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830462831 PZASWZOPUVFWBP-DNQXCXABSA-N 473.526 0.563 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CSCSC3)C2)C1 1831396313 JCGNTOKPBIPLJP-QKLQHJQFSA-N 457.618 0.524 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1831435765 YRJAJHBQTKOWOO-NYYYPAOWSA-N 461.515 0.804 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832208187 HSQMIYLFSHQQGP-QHCPKHFHSA-N 471.514 0.397 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832791949 SGHXYBGWZDYZQO-QFIPXVFZSA-N 464.519 0.701 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)c1 1833237206 HSADYQFQCRNSDF-GOTSBHOMSA-N 453.587 0.785 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)c(=O)[nH]c1C 1833390439 XRVOPYIIOUZSKL-DEOSSOPVSA-N 465.510 0.837 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833615404 SXGZCGKHUFTLAQ-PXDATVDWSA-N 488.585 0.561 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)[C@H]5CCC(=O)N5)CC4)CC3)c2c1 1834590172 KSKJUYSDBQXDSL-HXUWFJFHSA-N 463.542 0.898 30 20 JCED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)C(=O)O 1834739394 MHTPHWXFXGXEPK-DDCMRGNDSA-N 467.567 0.150 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342044 IZMXMFLMTJHSQM-AOMKIAJQSA-N 466.535 0.286 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4I)C3)C2)CC1 1835344669 OYZCDHXHMHYSNI-QGZVFWFLSA-N 485.282 0.388 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(C)C)C(C)C)CCO2 1835892647 GAZKQOMHAHFYDF-KLHDVOOMSA-N 450.580 0.324 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](C)NC=O)CC3)CC2)c(C#N)c1 1836403424 IFVBYGHOGOIGBW-QGZVFWFLSA-N 455.559 0.815 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836449802 OCOWGIOSYLZWJJ-XOBIUNJKSA-N 455.519 0.500 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(F)cc13)CCO2 1837039023 QVQQZBMRMHPNQI-UZQCKINESA-N 471.489 0.630 30 20 JCED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n[nH]1 1837488349 BJNHYBPPVYGETE-HSZRJFAPSA-N 458.515 0.381 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1 1837491369 YPNCBYOPOIRIKM-DEOSSOPVSA-N 473.574 0.802 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n(C)n1 1837524773 MJTUAAYEGYWRSA-RRPYSREYSA-N 465.507 0.028 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837693383 PLIKNLISSYYFKS-HOYKHHGWSA-N 454.527 0.638 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(=O)oc4)C3)C2)c1 1838580548 IZDNLLVYMAGBKO-QHCPKHFHSA-N 453.451 0.904 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732649 XYEOHKBOGHCCDJ-QFIPXVFZSA-N 487.538 0.210 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839050302 ZKJBPEBDXYTYSR-VWLOTQADSA-N 490.520 0.679 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(C#N)c1 1839132111 SPWCOSLJTVWLNM-RUZDIDTESA-N 483.569 0.848 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1839175449 KAUGFIFRYVAFEO-OAQYLSRUSA-N 450.492 0.008 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F)CCO2 1839176110 WKFGRBRVHPPLOW-NRFANRHFSA-N 467.444 0.667 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)COC(=O)C(F)(F)F)C4)C3)c2c1 1839488343 MMWQYHADRQPNAI-HXUWFJFHSA-N 495.414 0.610 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(O)Cn1cc3c(n1)-c1ccccc1CC3)CCO2 1839745576 PRWQKZADKJBDKN-CLJLJLNGSA-N 478.549 0.489 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC=C)NC(=O)OCc3ccccc3)C2)C1 1839809665 FZGKKHXMRLIBBH-HYBUGGRVSA-N 455.511 0.947 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C2)C1)C(F)(F)F 1839893147 NMQQFQCKEQVMLY-BFCNOCSMSA-N 464.466 0.364 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839959155 AVYDMRALJHPSOI-FGZZVUJSSA-N 458.559 0.518 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)CCO2 1840047403 DFVSRGOTLQRANB-GLDPYIMESA-N 479.574 0.881 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)c1ccc(O)cc1 1840222156 GIGOCYSUNVQZQF-RNHFSVANSA-N 469.538 0.482 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(=O)OC)cc3C)CCO2)C1 1840785504 MXYIUBASCLXWHP-UUOWRZLLSA-N 458.511 0.890 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)[C@@H](O)C1 1840814822 IEXJUAPMCNYZSO-LLJLJFOGSA-N 492.573 0.364 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1840883276 VCZINTQUWOUKEZ-CYFREDJKSA-N 495.573 0.703 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1840909305 QFHDASZPHXKGQW-IVZQSRNASA-N 478.502 0.367 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840912499 JZGMZJWLJRHBQN-KBJGYGKASA-N 497.618 0.539 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1840959574 YABQCGDNEWNHSJ-MRUHUIDDSA-N 473.592 0.397 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1841602059 PALKHWXZXKYXSV-CQSZACIVSA-N 458.540 0.083 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCCNC)C2 1846366070 OXOSWLHCVDOFMA-KRWDZBQOSA-N 481.594 0.995 30 20 JCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 15834839 FVWKLHVNFMOWSS-INIZCTEOSA-N 492.579 0.900 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 31166212 CMDHADOXNGIKCY-NRFANRHFSA-N 479.628 0.782 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)sc(=Cc2ccnn2C)c1=O 502006275 UEXIOULVIAUHIP-UHFFFAOYSA-N 462.579 0.905 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccccc2F)CC1 502059352 WZXUHBOFFCESNA-UHFFFAOYSA-N 466.542 0.439 30 20 JCED CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 517187860 DFQATHRQIFCIGP-UHFFFAOYSA-N 499.549 0.497 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 604270136 ICPTUZAZDGDPGF-UHFFFAOYSA-N 488.953 0.506 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)cc1 642984209 MVQYEXHDZSEQAJ-UHFFFAOYSA-N 473.555 0.980 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)CC1 728686689 WEFQPCPIVCLJTE-HSZRJFAPSA-N 455.603 0.705 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCS(C)(=O)=O 729671370 LFLTVRVFIGLPKY-UHFFFAOYSA-N 481.571 0.058 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)Nc2cc(C)ccc2OC)cc1 811831730 FAFOOBZZPJJOQK-UHFFFAOYSA-N 473.507 0.827 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NC1CCN(C(C)=O)CC1 899459006 YCHCYOZRBNACNV-SFHVURJKSA-N 478.571 0.954 30 20 JCED CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 913300422 IJQZNTLOXMWSNM-ZBFHGGJFSA-N 451.501 0.570 30 20 JCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 915786023 ZUHURYVTKBVRAV-UHFFFAOYSA-N 451.487 0.391 30 20 JCED C=CCCO[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 921219836 VCVXUFSQKNMZNW-OAHLLOKOSA-N 455.489 0.952 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1296241626 RLFUUKPKVPZLOH-IIBYNOLFSA-N 481.623 0.903 30 20 JCED COC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1301025847 JVXKRAFDZJDGOS-BXWFABGCSA-N 456.569 0.402 30 20 JCED C[C@H]1C[C@@H](C)CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1512007970 UCUQICQZYKRINK-YRPNKDGESA-N 495.650 0.708 30 20 JCED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1554509663 JRSUFRSTBJMTPY-UHFFFAOYSA-N 472.575 0.148 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1695932286 UPVRDDTZKOJHGB-UHFFFAOYSA-N 488.618 0.403 30 20 JCED CC(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1706237609 QNCPEHNXRHFTDO-QGZVFWFLSA-N 451.535 0.874 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1710881086 MPKLAEAEENSKAP-INIZCTEOSA-N 467.573 0.787 30 20 JCED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1769519128 XETPBWFNUOHXHK-LJQANCHMSA-N 470.530 0.862 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1=O 1771136738 YHLPDKXHOUYPGD-GOSISDBHSA-N 453.547 0.832 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1 1771359420 XKQRNVBPFJVTKK-INIZCTEOSA-N 457.560 0.800 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(=O)NC2CC2)C1 1771361619 NTFFHVOKPABEKL-DNVCBOLYSA-N 469.543 0.112 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779322787 NASAUKUWZJERND-GRJZNYKUSA-N 494.589 0.437 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2 1779335640 OWPNRKAIAGBMTL-JBYIUTFZSA-N 471.620 0.499 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cn4[nH]cnc(=O)c4c2C)CCO3)c1 1780175264 KVGZCSLJNUUEOF-DEOSSOPVSA-N 476.493 0.969 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1cc(C)on1)C2 1780738410 BERGUGGHHKTWNX-WZONZLPQSA-N 476.530 0.736 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1781168259 MYADDJYNKJHPBS-WZONZLPQSA-N 474.562 0.805 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)N1 1782871932 NJPABCUVDFTLBB-DFIYOIEZSA-N 496.589 0.048 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)S)C2)C1)C(C)C 1783899728 DWVYMGZZBMNCQZ-DOWNOZBLSA-N 484.619 0.506 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784008950 AAXBDFDAQKMTIO-MQNAVGNWSA-N 482.578 0.989 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)CCO2 1785425610 SCNGMDNOPKENKH-OKPAFVPDSA-N 461.559 0.989 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)c2ccccc21 1788600913 JMPWSDCPTFHKGD-CWWCBOJOSA-N 482.585 0.791 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4cccnn4)C[C@@H]32)c(C#N)c1 1789842538 BPMNBIKMQIMFIQ-YYWHXJBOSA-N 465.510 0.958 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1)N1CCN(C)CC1 1790329335 CUBFAZJOLWZAMX-UZSDIVCKSA-N 479.585 0.664 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4cccc(Br)c4n3)[C@H]2C1 1790430061 KSVQUPMXTCRRJI-XEZPLFJOSA-N 475.299 0.778 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3c4[nH]cnc4CCN3C(=O)OC(C)(C)C)[C@H]2C1 1790688565 YPRVPEDPILNXHY-PYWIUJKZSA-N 457.531 0.857 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)N2CCCC2)C3)cc1 1792424840 XWSDCYYSCKQQRA-JHDGKUDLSA-N 474.583 0.506 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1793084468 FBABGUNXWNHTMC-JTJHWIPRSA-N 493.601 0.550 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(Cc1ccccc1)C(=O)OC)C2 1793347375 BZZGVELISCTRIW-KMQSCTNJSA-N 457.527 0.883 30 20 JCED Cc1cc(C(N)=O)cc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1797732805 LXHDBVTZHDIAFA-OPVJXMOQSA-N 455.559 0.887 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1797808556 JLQKIKPAQUGZOK-NWFKIHRWSA-N 450.536 0.508 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1797812640 XZGJGHDDUGXFAB-YTJNBFFPSA-N 471.514 0.787 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)Cc1ccccc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n1cncn1 1801265747 LLLLYEQTHYEMIR-SFNKJDCFSA-N 460.535 0.174 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1801992107 XODVATZBZYOBEL-YWVIFJGQSA-N 464.404 0.977 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)/C=C\C(=O)NCC=C)[C@@H]1c1cccnc1 1802476656 LWVFFHCCQUPSIE-CIDBCHGOSA-N 451.527 0.804 30 20 JCED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1802694856 SEHBKFHWOCBRPA-RMJJICAUSA-N 498.609 0.817 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1804430969 VAIFIUYWJZPSGZ-SPNGWSKQSA-N 495.577 0.922 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807120348 QAQAASCYTSYOHX-AUSIDOKSSA-N 461.526 0.878 30 20 JCED CN1N=C(C(=O)N2CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)CCC1=O 1807141490 BSCIVOXLGJKUOA-YLJYHZDGSA-N 453.547 0.977 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807145745 QKUUUEZCQBQYDK-FUHWJXTLSA-N 466.479 0.094 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1808412431 HIFYNMVQRUJBQM-AZDINULQSA-N 490.630 0.985 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810349225 IEIUIHXKQCDRFL-SFHLNBCPSA-N 458.563 0.020 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2c2cccnc2)c1 1811536676 WVBKEKVXSRTKJO-DNVCBOLYSA-N 457.454 0.646 30 20 JCED O=C(C/N=C/c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827402291 STCSWCNQHSXZLP-ZMPUUUETSA-N 466.502 0.758 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828972135 IQZUWQTYCQTEHS-VRADJDKOSA-N 451.568 0.728 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CN5CCSCC5)CCO4)C3)c2c1 1829715190 SGCWAFWXOSILRP-QHCPKHFHSA-N 484.582 0.553 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccc(C)cc34)C2)C1 1829766276 PLPICNALFJIRQS-WRAFWBCBSA-N 467.526 0.571 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NNc1ccccc1)CCO2 1829807799 DKTGNHMFEFUUGN-DVECYGJZSA-N 474.558 0.957 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1829845673 FXGOFGMUVVASBD-ZJSXRUAMSA-N 456.543 0.862 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5ncccn45)C3)C2)cc1 1829903509 WXRRQFZUVCHWQZ-DEOSSOPVSA-N 460.494 0.914 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(C)C)CCO2)C1 1830022489 HEXDJPQVHLQSPK-FDDCHVKYSA-N 467.563 0.784 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCc2cccc(C#N)c2)CCO3)CC1 1830459418 WPAOHUONVOZIEG-SANMLTNESA-N 483.613 0.585 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831200744 MYNLPJCCCYGCFY-GSYMPFBVSA-N 468.551 0.278 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1831391807 WLZKQFZRPPOEJO-FDDCHVKYSA-N 453.499 0.376 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1831392936 RCYJSWLNROOLNR-YCRPNKLZSA-N 462.459 0.107 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831675590 UNUSXHZKUSBXPL-DLBZAZTESA-N 478.546 0.463 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2COc4ccccc4O2)CCO3)c1 1832499706 OKGQDVFIQZWQLA-REWPJTCUSA-N 452.467 0.796 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)c(O)n1 1833700216 RTPWKZBLDURSBV-QFIPXVFZSA-N 479.555 0.794 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835382297 PIQLSGPBVGGOMI-XMMPIXPASA-N 456.543 0.879 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)c1 1835653221 LEOIBHFUYGODTN-NRFANRHFSA-N 461.544 0.654 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835659138 JUKVUQKWVOOIBM-SREVYHEPSA-N 458.607 0.675 30 20 JCED Cc1nc(N)sc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675223 XWRISANTOLUNIU-FQEVSTJZSA-N 450.565 0.386 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835844044 CIFCNPBHPDPUBV-FQEVSTJZSA-N 466.579 0.219 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cncn4)CCO3)C2)cc1C#N 1836141809 UWNILJBUQWBRAV-HSZRJFAPSA-N 468.514 0.707 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)CC3)CC2)c1 1836169758 WDKJZEMKLKAEOH-UHFFFAOYSA-N 485.570 0.537 30 20 JCED COc1nccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1F 1836237034 HDPACEGRGOQUAS-XMMPIXPASA-N 475.517 0.998 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)nc4n[nH]cc34)CCO2)C1 1836364926 FUMCHNTWGFVWLN-SPLOXXLWSA-N 461.906 0.720 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1836773488 ZTBJQFBHNJCREJ-QHCPKHFHSA-N 473.530 0.337 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1837440122 CPCCJVHOVYHVBJ-AXDLBROPSA-N 451.474 0.902 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837529387 SHBDBBRPMVZXIF-DYDJXISFSA-N 472.502 0.328 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837531520 OTQROXXGDWXIIW-NSJZWROTSA-N 477.558 0.670 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837532680 FDADWDSHFDPXRB-JHQANNODSA-N 469.535 0.561 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)no1 1837544412 AHXOYKFJNAEFOI-YLJYHZDGSA-N 454.549 0.124 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567481 MVFLRBAUTKRNNN-HLRAKELMSA-N 482.537 0.973 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)N1CSCSC1 1837572765 QCZAGBLUTYKHFT-UWDDZFTESA-N 485.676 0.958 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)NCc1ccco1 1837636440 ZNVZWKUMYVKJDF-HWMYGDGXSA-N 499.564 0.607 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4ON=C(c5ccccc5)O4)C3)C2)c1 1838737502 WEAOXJOZPKDBOO-PKTZIBPZSA-N 465.466 0.691 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838791677 HKFJFYCPAVPEJY-JPYJTQIMSA-N 455.515 0.928 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1839130632 KHYUYXJSPBZUTB-IXFSTUDKSA-N 467.563 0.520 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1839224305 HTJZTGPGZPXQSE-PNLZDCPESA-N 486.566 0.129 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1)c1ccccc1F 1839233599 HMXMABGSAQCUGL-ARBPTSGCSA-N 467.563 0.952 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C3)C2)cc1 1839361851 JLXHWALMWXBBTJ-QHCPKHFHSA-N 499.549 0.288 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)cc1 1839363058 GDVIWGNWPORIPA-HSZRJFAPSA-N 456.499 0.665 30 20 JCED CCOc1c(F)c(F)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1F 1839434413 DLROJFQCLXOHCM-NRFANRHFSA-N 470.400 0.661 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)nc4ccc(F)cn34)CCO2)C1 1839526050 XNBPTHDBMFBZJG-SBUREZEXSA-N 458.490 0.890 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839960226 HFLPPYKKFJYBJY-YKSBVNFPSA-N 460.527 0.556 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1840909302 QAZSPNOCDTYQHA-JPYJTQIMSA-N 475.546 0.325 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)CC)C2)C1 1840909467 SUOVAOGDBIEQKM-AOMKIAJQSA-N 451.520 0.339 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1840909571 WQPWHHDARGECHQ-FDDCHVKYSA-N 475.546 0.325 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194444 GKUYQJHHQZDUIJ-OAHLLOKOSA-N 494.545 0.696 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 18760845 OQVGMBSXPCOYQE-WAIKUNEKSA-N 489.550 0.730 30 20 JCED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 23557838 HLYAKPZTBHHKBW-AWEZNQCLSA-N 481.556 0.363 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)o1 31529810 JGXLYKQUVIAGGL-UHFFFAOYSA-N 492.583 0.712 30 20 JCED COc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccc3)c2=O)c1 480127064 OCOXESUOIBOJBZ-UHFFFAOYSA-N 490.585 0.859 30 20 JCED CCc1cccc(-n2c(=C(C#N)C(=O)N3CCN(CC)CC3)sc(=Cc3ccnn3C)c2=O)c1 502039345 BCOJSCPQXIYIEZ-UHFFFAOYSA-N 476.606 0.862 30 20 JCED CSc1nc(O)c(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1C#N 507024746 SGYQRWZANPSNFZ-BETUJISGSA-N 455.562 0.493 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604120044 XEYDNQJSQHVFTG-UHFFFAOYSA-N 488.635 0.390 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828026 CNCJXXJKPHTGIM-UHFFFAOYSA-N 450.545 0.969 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC2)C[C@H](C)O1 726584919 LDGBIPPLIXHFKP-ROUUACIJSA-N 490.586 0.252 30 20 JCED Cc1c(NC(=O)[C@@H](C#N)C(=O)CN(C)S(=O)(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C 916958856 OEJSOHVNDTYAII-SFHVURJKSA-N 482.522 0.848 30 20 JCED CCNC(=O)CN1CCCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 920456127 WTMDCBXJZUGVBF-SFHVURJKSA-N 463.604 0.810 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCCO1 1305205768 LHNTXLIFIAQZCZ-IIBYNOLFSA-N 461.544 0.894 30 20 JCED COc1ccc(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1315459513 LBKWNHODGUYZCE-UXHICEINSA-N 490.586 0.981 30 20 JCED Cc1c(Br)c(C)n(NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c(=O)c1C#N 1457779486 QJVYIZYVOKBUIW-UHFFFAOYSA-N 457.310 0.190 30 20 JCED CCc1nn(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)c(C#N)c1CC 1472989509 VZPSAPCHEOFOCT-UHFFFAOYSA-N 459.528 0.899 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1555991647 YIVKVQLESYRQGJ-QGZVFWFLSA-N 458.544 0.880 30 20 JCED CS(C)(=O)=NS(=O)(=O)N1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 1621461238 OUVISEYNIUCLIW-UHFFFAOYSA-N 451.578 0.949 30 20 JCED CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1691593175 XBYLNKHFTCXGHH-FUHIMQAGSA-N 454.572 0.979 30 20 JCED CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1728803899 LLHNHHMUNKQDND-TZIWHRDSSA-N 467.592 1.000 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1729373936 ZKWVHMOLQWLFJC-GOSISDBHSA-N 488.570 0.458 30 20 JCED CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1748383244 YUUJHUXWLHVGRM-SFHVURJKSA-N 453.547 0.832 30 20 JCED Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1 1762025136 QDRKEEYBNRUUGF-SFHVURJKSA-N 461.544 0.834 30 20 JCED CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1767850964 MCUQVBCZTYYNJM-LJQANCHMSA-N 486.602 0.362 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCN2CCSCC2)C1 1771361659 OHAFCSJVWITLAN-QGZVFWFLSA-N 469.637 0.400 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1771365324 RTPKKELMXFVKFN-UHFFFAOYSA-N 481.529 0.964 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104574 MFGZWXOHJGTSHT-WCBBMBKJSA-N 498.577 0.885 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780126111 NUMFEYHSLHXUPT-NVTAWBTOSA-N 487.557 0.814 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NNC(=O)C2)C3)c(C#N)c1 1780687003 LCULKGNHIIZIBN-AUSIDOKSSA-N 453.499 0.499 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)cc1 1780701015 XZMRYUBUQJJMPN-JOCHJYFZSA-N 451.439 0.772 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C3)ccc1F 1780756451 ATLBBPSOIVLBEX-DNVFCKCGSA-N 459.522 0.347 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1781148835 SJARTAMNPIQPHZ-UUOWRZLLSA-N 478.590 0.991 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1781395677 OWSZPLKFRUUMKQ-YCRPNKLZSA-N 463.560 0.522 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782671160 BXIGBZHSPMTLFR-WAIKUNEKSA-N 491.545 0.860 30 20 JCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C3)c(=O)nc1O 1783116191 IMVPAUIEJPTXSM-UZUQRXQVSA-N 474.562 0.053 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1783133862 JQYWZOYCTPFENX-WPSZSDGUSA-N 454.527 0.977 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(F)ccc1I)CCO2 1783562558 BIKYUSTXPPQHHM-GOSISDBHSA-N 486.237 0.962 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1783680529 YCVIRRYWIPGAIZ-CTNGQTDRSA-N 462.609 0.467 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)CCO2 1783908973 MTUWFWBVLITTQI-DEOSSOPVSA-N 497.556 0.760 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)CCSC)C2)C1 1783977902 YELXXEGHFGQJDN-GSHUGGBRSA-N 469.604 0.847 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2)c1ccc(O)cc1 1784014757 QILQQHKIOKMEIU-BVZFJXPGSA-N 490.520 0.764 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@H](CC)NC(N)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089419 DUVUDRFVDKCFIO-QQMNAOGKSA-N 479.578 0.829 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C[C@@H]21 1784486090 XFQDGBTWRZLWIN-BPBFDTGDSA-N 491.585 0.783 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784596732 DFNOSEHOTUPXOK-DRMXPCRNSA-N 497.556 0.935 30 20 JCED O=C(CCNC(=O)c1ccc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1785249504 YUJJENWYERBNFZ-VEVHIGKUSA-N 458.563 0.586 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC[S@](=O)CC)CCO2)C1 1785576489 DPJOUJMEOXKJFO-JJABLZQASA-N 469.604 0.892 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1785598236 NLQOCVUPYYXAQS-VBICKZDXSA-N 495.573 0.902 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21 1788653235 YOEMFYMTRSOOHD-LAENMPIVSA-N 483.415 0.850 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789510865 MIGJMAIFIQTFIO-MUGJNUQGSA-N 499.568 0.920 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C[C@@H]21 1789958446 QVZMXXODOGGZND-STEXWYFWSA-N 459.547 0.981 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077682 QXSRCFSEENMNKS-JYEBCORGSA-N 499.564 0.320 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)cc1C#N 1792057541 PGNNBPFGQJZXTD-CUWPLCDZSA-N 468.558 0.779 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1792258422 CUGSNDCZMMOOLG-DFQYRXGOSA-N 495.573 0.499 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]21 1792258757 PVNMRLNRCBSKEB-RFZNHBKKSA-N 464.563 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@@H]21 1792261566 JRBMHQRSKMZDAE-CAMMJAKZSA-N 489.573 0.939 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nc(C)no1 1795818184 UVYSKBZTEZOHCS-YYAJDYIMSA-N 461.519 0.427 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4ncccn4n2)C3)c(C(F)(F)F)n1 1795994612 PICYPNBZAIRWOT-JJLQDPRZSA-N 486.414 0.927 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC)NC(=O)OC(C)(C)C 1797589200 CWIQPCLNLZRNDU-SQWXYCIISA-N 498.577 0.500 30 20 JCED COCCOCCOCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798500004 JZMNLKBDQLAYCC-DFCLLIHRSA-N 485.578 0.850 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1799321924 RWLNRDMKAZEMIT-FSNPWBFUSA-N 482.578 0.498 30 20 JCED CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799711180 ZEBPSBIIBYINLK-JLVBRIDZSA-N 484.372 0.959 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1800741384 XPTOILUDHWJAFG-LQVYDPQBSA-N 491.585 0.496 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cncn2)C3)N(C(=O)OC(C)(C)C)C1 1801103778 BZKORLLLQBROOM-ZMMAXQRCSA-N 460.535 0.433 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801734124 BUZFSZVISZSWLV-YRPNKDGESA-N 482.622 0.771 30 20 JCED CO[C@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O)N(C)C(=O)OC(C)(C)C 1801988413 BZSPVDMDOKRFSN-FDQIELQPSA-N 451.520 0.983 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1802127475 PVGLIISUIMGBMQ-AXVVYFOYSA-N 488.541 0.516 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)c1 1807025595 JGOFJDGZQWCENF-AZUAARDMSA-N 457.427 0.998 30 20 JCED N#Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)ccc1F 1808549620 NOTCZACFKQZERD-HXOBKFHXSA-N 478.484 0.893 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](O)N2CCOCC2)CC3)ccc1F 1822964952 OWMXNDCJVBFZAD-QVKFZJNVSA-N 473.530 0.959 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1823479268 XMRIRFICSGNLRO-KBXCAEBGSA-N 491.501 0.946 30 20 JCED Cn1nncc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1828641485 FZEZEFZLOKYEJS-JOCHJYFZSA-N 451.487 0.794 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CNC(N)=O)CCN3C(=O)OCc3ccccc3)C2)CC1 1829471916 QBZLDIGYSOMRTC-HSZRJFAPSA-N 468.514 0.411 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)CC2=O)c1 1829637869 RMRADBUKGVTDSO-FQRUVTKNSA-N 481.549 0.918 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1829763836 DMNXPKCYZPSWJD-LXHZQTKUSA-N 461.494 0.355 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1830055909 HLHHJFMFLRSCSN-JOCHJYFZSA-N 463.556 0.639 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1830352347 LQRFCSINVGDOCD-KNOQFWTLSA-N 484.553 0.316 30 20 JCED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)C(=O)c1ccccc1 1831151101 WBXOIPGWOQNPSP-DEOSSOPVSA-N 454.527 0.909 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1831397434 YEJPETRGUHGNFW-AUUYWEPGSA-N 458.437 0.547 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1831412966 KIHYMJGJHFMUBI-JOCHJYFZSA-N 461.494 0.921 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1831434355 WTGACHSULFRHDR-YZZKKUAISA-N 460.531 0.247 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831863660 STETVVYINHJBMR-HXOBKFHXSA-N 475.546 0.705 30 20 JCED COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1832767013 BRPCFLQCTGYGQR-GVFUYMABSA-N 459.547 0.561 30 20 JCED Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)s1 1833021598 UPQREPFBUITIRU-IQTGRTGDSA-N 461.544 0.948 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)Cc3cscn3)CC2)CC1 1833074809 CPIBELXWJURFLT-XQQSMPNESA-N 474.631 0.443 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833654574 KMGLOMRADCFWRT-DEOSSOPVSA-N 483.525 0.847 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(-c4ccccc4)c4c3COC4)C2)C1 1834758498 OMGJLDAIEJLTTH-QHCPKHFHSA-N 451.483 0.886 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1835119130 LTQCRSAGYDHIEM-IDOMTICXSA-N 487.582 0.657 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1835682382 FREXRGIUQORGPY-QFIPXVFZSA-N 460.535 0.017 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CC)NC)CCO2)C1 1835903841 FVHYRZSLCKWGBV-BSRJHKFKSA-N 468.595 0.910 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)c(C(F)(F)F)n1 1836322077 YZERZPOGYIXOJI-LJQANCHMSA-N 480.403 0.785 30 20 JCED O=C1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)CCN1 1836520897 WGOBJEGAQIENMJ-SVOASRKSSA-N 461.540 0.470 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CCN3C)CCO2 1836570056 NCQCYWBGTZYXFE-CVUHLLMESA-N 468.554 0.607 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)CCO2 1836686924 BZYMOILLTPGOJY-GREBRCKQSA-N 463.600 0.662 30 20 JCED CCS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1836846224 MZXKQKJSDIKNIU-FNNTWHHHSA-N 473.592 0.949 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1837117919 NYWDQIMFSQZQKG-IBGZPJMESA-N 483.525 0.534 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC[S@](=O)CC)CCO2)C1 1837247465 UDPSARVZMHWIPW-ZKDOBXEASA-N 499.630 0.518 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1nc(N)n[nH]1)CCO2 1837274832 TZLQKVXHNVUVID-JOCHJYFZSA-N 476.654 0.827 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837439172 GQJVSHZJQHIUJS-GWJWUGQSSA-N 451.553 0.122 30 20 JCED O=C1NCc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)ccc21 1837444277 VQNDOXOQMLVAFP-DXPRYJPLSA-N 469.542 0.472 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837489490 JLXXJQXKGBSTTM-DHLKQENFSA-N 456.539 0.875 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525049 RVRUBGVNLXACJF-QKUXODNTSA-N 463.535 0.505 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)n1cccc1C=O 1837527023 ILRVUQLRXRGBMG-JOGNYUGASA-N 476.530 0.847 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1)c1ccccc1 1837616182 ATWCVQKDJAGFHU-ZJSXRUAMSA-N 451.527 0.932 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1837662911 JQEXARPKJRQKTQ-QFIPXVFZSA-N 471.620 0.861 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)cc1 1838367090 BMUKSGZYTPVFDE-QHCPKHFHSA-N 451.483 0.757 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)c(O)n1 1838634613 SLDZAMASBFYAMC-QHCPKHFHSA-N 469.498 0.373 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838733276 WZFOVVQWRQYSSQ-JOCHJYFZSA-N 472.523 0.674 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C3)C2)cc1 1838951022 SZHISJGZWKYWPB-JOCHJYFZSA-N 485.522 0.094 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839136575 ZUAIIZOOEKUAKZ-OPAMFIHVSA-N 482.534 0.203 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1839175114 PVSXWHJAGHATCM-FQEVSTJZSA-N 452.895 0.709 30 20 JCED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(Br)c(C#N)c4)CCO3)C2)n1 1839401276 WKUFCKWNOBAIHL-HXUWFJFHSA-N 489.330 0.833 30 20 JCED Cc1ccc(-n2ccnn2)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1839478789 QGYMGUZVNWIAGS-RUZDIDTESA-N 495.584 0.928 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839637055 VCCDUHUXILYDCS-QMHACROESA-N 479.537 0.921 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1839669883 AYVMQGTYNVZOJN-JOCHJYFZSA-N 453.455 0.203 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)c(F)c3Br)C2)C1 1840043848 XLLFTBHAJHFDFJ-IBGZPJMESA-N 487.253 0.885 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nnc(Br)n4c3)C2)C1 1840159946 RTMBHGQNSMJSSQ-KPZWWZAWSA-N 484.376 0.880 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1840166697 XXKDLZPPBMKHOY-YADARESESA-N 477.558 0.825 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840411426 RIRDXWJCPGKAFK-HSZRJFAPSA-N 467.482 0.262 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)ccc1F 1840447980 POFDAYQCJAMNPZ-JOCHJYFZSA-N 456.478 0.378 30 20 JCED CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2 1840763875 VNLNPRMXPMBNLM-QHCPKHFHSA-N 458.515 0.552 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1840906546 FGIYMSVLEPLBAF-HXOBKFHXSA-N 475.546 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=C/OC)C2)C1 1840909085 MJUPFDZDVABKQO-GPVLSUBRSA-N 465.547 0.910 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C2CCN(C3CCN(C(C)=O)CC3)CC2)C1 1843951377 FENLVTUJCMDBOU-LJQANCHMSA-N 458.603 0.951 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195063 XYKJPOGXQQOIOE-KRWDZBQOSA-N 456.499 0.809 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccc(O)c(I)c1)C2 1846196571 OWHHDQKJUQRIBQ-UHFFFAOYSA-N 454.220 0.902 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 495272326 KWTXEDRVGUPIPD-UHFFFAOYSA-N 472.523 0.984 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccc(S(C)(=O)=O)cc3)c2=O)cn1 523580808 IFZKMVLBDXLEMX-UHFFFAOYSA-N 485.591 0.547 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(NC(C)=O)c1 603495357 FCWMKHPOEATCJV-HNNXBMFYSA-N 477.546 0.907 30 20 JCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c1=O 608912745 ZMXPHBBKITVUGE-UHFFFAOYSA-N 480.587 0.182 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nnnn3-c3ccccc3)CC2)cc1 609335442 HCINSOWVWNULMD-UHFFFAOYSA-N 452.500 0.750 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1=O 726043238 ROBYVRHWCAUAFM-GASCZTMLSA-N 490.488 0.576 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CC1 728533876 UPSUEOFZKLVUOZ-UHFFFAOYSA-N 474.608 0.776 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 728570958 QJSFWFYDVOQDRL-IBGZPJMESA-N 466.586 0.723 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 729257649 LQOGQOHFKNUAIH-UHFFFAOYSA-N 460.600 0.679 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCS(C)(=O)=O 729673161 FYTHCCLZAWMTOS-UHFFFAOYSA-N 477.608 0.309 30 20 JCED N#Cc1ccc(S(=O)(=O)NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 916176923 DSKRLVHQVCEAFX-UHFFFAOYSA-N 490.563 0.676 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(-c4ccccc4)nc3)c(=O)n2C)CC1 917779517 CWMCYULQUPUHJG-UHFFFAOYSA-N 460.563 0.571 30 20 JCED C=CCCO[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 921219835 VCVXUFSQKNMZNW-HNNXBMFYSA-N 455.489 0.952 30 20 JCED CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1136831682 OBJFNOJMZICTBA-UHFFFAOYSA-N 450.421 0.908 30 20 JCED C[C@@H]1CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1291291213 LOLAODKDTVCECS-KURKYZTESA-N 452.581 0.410 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2CCCCO2)C1 1302485480 SANJUNSFVRKWJY-ULQDDVLXSA-N 454.553 0.299 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1463883585 KFNMFGJYMHGIDE-JXFKEZNVSA-N 455.540 0.596 30 20 JCED C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1541123428 MQKSDSQPXBNBQR-UONOGXRCSA-N 454.578 0.624 30 20 JCED CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1547968038 RXTJBGDNCSHZPE-MOPGFXCFSA-N 476.559 0.787 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 1652905861 UMVQEVQUCFLVAG-GJZGRUSLSA-N 455.544 0.484 30 20 JCED CO[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1697121997 YOUXIHPAEXXWDK-XLIONFOSSA-N 489.602 0.844 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2)n1CCNS(C)(=O)=O 1752282227 UKMSCKWUYGJOHM-INIZCTEOSA-N 467.559 0.871 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1)NC(=O)OC(C)(C)C 1778793883 UIMMSXTYVWTLLX-XAEMIUIASA-N 498.577 0.740 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779420388 RIKDUXFZPDRKCC-NPPVZQLHSA-N 488.607 0.357 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1780034193 VNYDCXLRFIVCJS-OPAMFIHVSA-N 453.455 0.656 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)c1 1780173843 GPIDKABRWRFSML-XMMPIXPASA-N 478.509 0.654 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1780335317 QVGKWHKQJFLWGB-WVMBUTMQSA-N 487.557 0.948 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1780912891 INZYHLDUUGLFCQ-IKHHBBACSA-N 472.517 0.691 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1)NC(=O)OC(C)(C)C 1781319898 GQGPSBDKLBNHMF-JTSKRJEESA-N 455.552 0.685 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)cc1 1781790248 MFQRCGJSPSMIIQ-DEOSSOPVSA-N 462.510 0.840 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192812 VXIMUNQPEWZOAQ-LHSJRXKWSA-N 459.528 0.559 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783494572 XXVVBGHLASQFGV-LJDHDCCFSA-N 464.522 0.585 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C[C@@H]21 1783531119 DEWYFWYLHAOLEH-LTFWAEOXSA-N 484.509 0.981 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1783766279 IUDGJZBRJNGZBR-VGSWGCGISA-N 455.552 0.949 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1)NC(=O)OC(C)(C)C 1784389849 KPNCCFIFILTALL-OKYOBFRVSA-N 477.558 0.836 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784396302 FXJJGMKQJHKBOE-BTYIYWSLSA-N 478.575 0.643 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1785573735 ZITRURVDICKQCO-FDDCHVKYSA-N 458.515 0.680 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)Cc3cscn3)CCO2)C1 1785574999 WVJUWJRCPWHGSG-BSRJHKFKSA-N 491.614 0.759 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1785577063 KIEQXONPUKSGGW-HXOBKFHXSA-N 487.513 0.535 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1785592423 AKAKJASYSCEGSR-UJUVCNOISA-N 450.536 0.422 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1785593828 GVMFILJTMKEBJR-OYYQPBACSA-N 480.562 0.348 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)C1 1786695958 QTAJVROSGWEHLY-OYSTVDSJSA-N 476.574 0.888 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cn2ncccc2n1 1788015118 UURAHFGJAGXZDF-IOBXQYEZSA-N 456.503 0.852 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1788706100 KUOUSVAKQOPSJY-LLRHIXAHSA-N 494.527 0.828 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(O)nc4O)C[C@@H]32)ccc1F 1789906770 XWQWLIILZPLVRC-OWQGQXMQSA-N 455.446 0.735 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21)c1ccc(O)cc1 1791336355 VEOWUEMLKUDAQE-NQOGSSOHSA-N 470.570 0.462 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792219248 OBCQTXWXFLCFBS-QHNSIOCKSA-N 471.510 0.655 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)C1 1792452107 TZKDFZMYQYPKKY-SOWBTEIWSA-N 476.574 0.888 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)C2 1793360112 FQQOAJHLMLARAK-LQIVVWRTSA-N 481.590 0.928 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O)c1ccc(O)cc1 1793620541 YCVSDXRYKVZZJA-MUFBNLQYSA-N 479.533 0.794 30 20 JCED CC(C)(C)OC(=O)N1CCc2onc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)c2C1 1797314675 FSSDWCTXPQLOBF-HBCWATKFSA-N 488.497 0.259 30 20 JCED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)C(=O)c1ccccc1 1797810250 NBROARGPMMSTCB-MYXNDMFLSA-N 472.542 0.877 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)C=C 1797939057 ANNQUWKJGNZBIH-QLCXLMDBSA-N 464.563 0.736 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1O 1798388154 HMWDXMMZYAXIIN-FSDCSDTHSA-N 459.503 0.302 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cncn2)C3)CC1 1799236502 PWCWAIYPGRCSLC-IZZQQSIFSA-N 487.561 0.409 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1799320329 DXUYSRZIZNYQPE-OGJJZOIMSA-N 466.579 0.947 30 20 JCED COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C 1799395372 OEENAFNWGJYQKQ-XWSHUIEDSA-N 487.594 0.463 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccc(O)nn2)ccc1F 1800207340 MGWRFAKFWLXRIZ-MFKICJERSA-N 455.446 0.404 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2)c1ccc(O)cc1 1801052104 ZQPNWRSZSXPKJR-FDTRYVBHSA-N 479.533 0.794 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@H](C)C#N)c1 1801766384 RMPQIODSSCROLJ-MKRDWBOCSA-N 462.572 0.845 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)C1 1801983862 INCBSYYIWDRIFK-BMCPXHGSSA-N 462.547 0.642 30 20 JCED CCOC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CC1 1801988027 GNKWGKQYEFIVDN-OXFQKTEUSA-N 480.562 0.974 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@@H]1c1cccnc1 1803582780 YVILKEMJANVKGX-RXLATPCRSA-N 462.572 0.627 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1817056333 AOAWFAZNZWRVCB-TZMCWYRMSA-N 478.527 0.779 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cccc([N+](=O)[O-])c3=O)sc2C1 1824713865 HDPDRVKRNMHULM-STQMWFEESA-N 459.484 0.864 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1828514408 OLUIQSOENHUGGK-UQBPGWFLSA-N 498.584 0.581 30 20 JCED Cc1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cn1 1828699265 JQZCSBFJTPTAJT-VWLOTQADSA-N 491.504 0.939 30 20 JCED CO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829365514 GEAASZMFFOZRNZ-SBUREZEXSA-N 457.483 0.561 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)[C@H](O)C1 1829690515 APCJPFPHEATRFA-YZZKKUAISA-N 480.562 0.364 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](CC)NC(C)=O)CCO3)c(O)n1 1829851842 XGOCVBQGECSGSX-YKSBVNFPSA-N 474.558 0.891 30 20 JCED Cc1noc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)n1 1830459410 WIBKSENRZOPQBO-QHCPKHFHSA-N 453.499 0.881 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831212939 DNYKMXXYOCQIID-ZYLNGJIFSA-N 491.585 0.474 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1831424320 HVUCBECIQGEJQB-HJPURHCSSA-N 458.515 0.627 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1831434312 WGSGAYRFWFSUQB-DENIHFKCSA-N 458.552 0.104 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)c(C#N)c1 1831465183 YJALNNRAGBHBIR-UZUQRXQVSA-N 493.582 0.246 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)=O)CCO2)NC(=O)OC(C)(C)C 1834726742 ZBICCSLIEYPFTK-VGSWGCGISA-N 453.536 0.891 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(CS(C)(=O)=O)nc3)CC2)CC1 1834962670 LEKZHFBBDWDXFW-SFHVURJKSA-N 490.626 0.850 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)CC1 1835399931 DCQZPMDEWLOOSP-SANMLTNESA-N 483.613 0.585 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2)NC(=O)OC(C)(C)C 1835536072 KHWDPBXBILJFFY-YZZKKUAISA-N 468.595 0.897 30 20 JCED Cn1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1C(F)(F)F 1835672449 CBAXVRDSFSMLIE-HXUWFJFHSA-N 486.495 0.791 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1835677417 HXAYJQXCIBGOPB-XMMPIXPASA-N 481.557 0.824 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835714078 WRTWVVFRJYBROB-PMACEKPBSA-N 452.596 0.282 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1836474725 DQQGTAVKGXGLNX-DPZNOXRXSA-N 490.607 0.970 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1836857212 IEZHBYBDCHZOMO-HNNXBMFYSA-N 478.571 0.489 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1837397231 UDEPEFYUEAXANZ-NXMSCROESA-N 499.605 0.556 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837441729 BHZKIJVHWCUQRK-ZZAWEDPDSA-N 455.519 0.271 30 20 JCED CN(C)c1cncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837524826 OIIRQFNOPUWSKM-COQMUBBDSA-N 475.546 0.747 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1837528226 BVWLQAAEXCZRKI-MBIGCVILSA-N 477.518 0.265 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1 1837531539 PGLRJMCSXMGTOG-BPRFCRFOSA-N 478.550 0.632 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)C=C)CCO2)C1 1837692891 ACTFIALSWZLWER-XFAGBWLFSA-N 494.589 0.603 30 20 JCED COc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838732537 VFISGIXYLNTUPJ-HSZRJFAPSA-N 453.499 0.993 30 20 JCED CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)C1 1839067550 PJHKFYXYUQVGJH-HOYKHHGWSA-N 466.542 0.846 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)ccc1F 1839186823 PQNNOGMHEJRDET-RUZDIDTESA-N 497.527 0.844 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1839209616 ZMHWGRMEGAAPRZ-VGSWGCGISA-N 487.619 0.638 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1839225559 MWCYSHKPSOXOLK-UUOWRZLLSA-N 485.541 0.874 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839422481 WUJYNMFCAABPSV-XMMPIXPASA-N 493.532 0.837 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423941 DRBZKLSPSXGDRJ-NYHFZMIOSA-N 477.949 0.989 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839774484 BFNYXBGHKDIKHC-HSZRJFAPSA-N 480.558 0.886 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc(C(F)(F)F)c1)CCO2 1839792267 IDXKSAAISMGCSP-HXUWFJFHSA-N 454.401 0.792 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1839808629 VUMCWLXENSLMNC-QHCPKHFHSA-N 474.514 0.671 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(F)ccc3Br)C2)C1 1840041007 KRVSBQKMYDSDHR-FQEVSTJZSA-N 483.290 0.675 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](C)S)CCO4)CC2)CC1 1840161212 IDRLFBSHHDBIRC-MHECFPHRSA-N 496.674 0.484 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1840162939 ASQXUEUAZVIBSP-PZROIBLQSA-N 462.494 0.918 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840795334 BOXSSYXOVLFQSJ-CYFREDJKSA-N 496.605 0.829 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815061 UUZGKVXJHCIULZ-SBUREZEXSA-N 480.562 0.412 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1847089865 PMFWGZFCYGUVRA-IIYXNSHBSA-N 481.550 0.488 30 20 JCED Cc1cc(C)cc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccnn3C)c2=O)c1 502039329 AZEFRGITJCHFJZ-UHFFFAOYSA-N 492.605 0.201 30 20 JCED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 517922337 VMYUSGSFDRSJGW-CQSZACIVSA-N 462.509 0.930 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 523256253 ZRLWBSVUDHSPCC-UHFFFAOYSA-N 475.486 0.688 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 556556960 FNEOPBOZNSAHFU-DLBZAZTESA-N 455.558 0.687 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(Cl)c1 608884543 VZBJHIQLDRSPDO-CYBMUJFWSA-N 487.969 0.949 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC(F)(F)F)cc2)c1=O 619538265 YRMBFSIVBMZHSG-UHFFFAOYSA-N 482.484 0.297 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1=O 726042590 KXHUYHXHEIRFAA-SECBINFHSA-N 470.360 0.067 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1 788280517 YQHIJTPKRLTWMS-FOIQADDNSA-N 454.549 0.865 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 834848671 FKGJQTVAQFOPII-CYBMUJFWSA-N 467.525 0.982 30 20 JCED CNS(=O)(=O)c1cccc(C(C)=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 915948582 VOEAIBDXUOLOOY-UHFFFAOYSA-N 466.589 0.762 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(c3nncn3C)CC2)c1 918435800 VXWZRXXLFIROKK-XIEYBQDHSA-N 473.559 0.973 30 20 JCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(=O)N(C)C)c1=O 918729129 BTOYWQIIRPUIRF-UHFFFAOYSA-N 474.970 0.785 30 20 JCED CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1299003665 WWIYUILUDPYWBF-AEFFLSMTSA-N 489.602 0.829 30 20 JCED CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1299313186 XTVZZAZKMBWRAP-MRXNPFEDSA-N 492.993 0.630 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOC2=O)c1 1302430463 VUNXJOBKVXBZBK-MRXNPFEDSA-N 460.516 0.920 30 20 JCED Cc1cc(F)cc(C#N)c1S(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1462759908 RDIYRPAZOOYCFH-GOSISDBHSA-N 459.565 0.906 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1503406947 RFNXKZCUQABMSU-MSOLQXFVSA-N 457.560 0.956 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1512580746 KVUQAMMDPIRIOJ-FVCZOJIISA-N 468.580 0.281 30 20 JCED CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1517631197 QQUUSOFYDPGSIC-HNNXBMFYSA-N 459.580 0.862 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1698310353 JQXHWPJHFBMXJB-ZWKOTPCHSA-N 457.560 0.942 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1712705251 LHKNUTPZYAQBHO-UHFFFAOYSA-N 478.600 0.866 30 20 JCED CC(C)NS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1761271757 QLLRXWSVFNXWTO-LJQANCHMSA-N 458.592 0.768 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778056263 OZRSJOGTOSPKKK-DEOSSOPVSA-N 494.508 0.524 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778165129 OXJPABFNRJMTMG-GAJHUEQPSA-N 457.531 0.971 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)NC(=O)OCC)C3)C2)c(O)n1 1778779915 DRXLIYAEHFPYRU-PGRDOPGGSA-N 462.503 0.414 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1779037177 MYJWRDAQTOSOHN-IBGZPJMESA-N 484.504 0.900 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1779066476 ZQPMTPXFJGLBJC-XMMPIXPASA-N 486.594 0.420 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C)cc3-n3nccn3)C2)C1 1780240678 WRKSQWFIKRDFOE-POUSAUBHSA-N 464.526 0.878 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1780696778 FZAFYBZSJOUPCC-JOCHJYFZSA-N 460.556 0.673 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781380836 SJPGONSPMHCTIR-YKSBVNFPSA-N 486.606 0.476 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C[C@@H]2OCC[C@@H]21 1783535443 DETGYVOJJSQGLP-VXEMUYFQSA-N 491.541 0.319 30 20 JCED COc1nccc(I)c1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567153 RHNXIRILEFAQOG-SFHVURJKSA-N 499.261 0.226 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1783765973 DDOSQNHIYUQLLP-VVBPWWLESA-N 450.536 0.564 30 20 JCED CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783780526 WZJOGZYFNXNVLG-IIBYNOLFSA-N 472.608 0.554 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)CC1 1784853666 AGNIWXMCODALHZ-ULQDDVLXSA-N 450.536 0.642 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1785572550 OKGYKRGQEDJCIM-QKKBWIMNSA-N 478.575 0.940 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1785573292 XWLFICIOVFLYQA-DGGJZMOXSA-N 462.547 0.259 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(CC#N)cc4)C[C@@H]32)CC1 1788248786 WKACXYUPWQXWQH-VABKMULXSA-N 467.570 0.510 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1789810050 OMAQDPTVZZAQEN-JIFZMYKYSA-N 496.605 0.995 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1 1791330277 YZNGBKYBVAGLCU-LYXWCMDISA-N 461.559 0.751 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21)NC(=O)OC(C)(C)C 1792110293 RCXQXNDCFOGPAB-DFGXFYAUSA-N 477.562 0.702 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=S)NCC)C[C@@H]21 1792257335 TWZVSSOINQAHRN-FJIDUMEYSA-N 495.646 0.367 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O)NC(=O)OC(C)(C)C 1796350079 OLPQLCFPIJJDOQ-BASYENTBSA-N 491.545 0.951 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC 1797760480 CUCXJVVDSYVMKS-AJFQYHAUSA-N 495.646 0.529 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2I)c1 1798114882 ZZCYQBRWPWQMTO-GNXNZQSNSA-N 480.266 0.731 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1)c1ccc(O)cc1 1798636666 YDTTZEHFSZVYRS-PRHHBONVSA-N 450.495 0.876 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C1 1799385171 FIAYPQLUBZJKLF-SSTJLMRISA-N 490.601 0.914 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1804092042 XWDLGYINFSTEAS-SOLRJDKMSA-N 472.502 0.168 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810147452 NQMWFPUJRUSOGC-OLIFAPLXSA-N 452.519 0.279 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812390713 AKVZEBLADAKTND-LPSMITJESA-N 458.519 0.102 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1812880971 OUNSJDPKADUBGG-UWJYYQICSA-N 451.483 0.476 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816783 UPXTWRWFFPPVLH-BXUZGUMPSA-N 456.467 0.643 30 20 JCED COC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819905368 ZUEJUPCDCIHCMT-ONSUUJDVSA-N 467.548 0.735 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825660869 VDEIGUPHELMNQO-ZYHUDNBSSA-N 452.489 0.029 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)ccc21 1825668005 XILHODJJDIPQPK-GFCCVEGCSA-N 453.480 0.647 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)COCCO)C3)C2)c1 1829181877 VOMQZMLOKZUHGO-VWLOTQADSA-N 495.536 0.961 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)C1 1829762287 CJETZPJWUNGERC-VOMXWEQNSA-N 477.558 0.281 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)C2)C1 1829769277 QLBYOQBRCYFMEP-IMHHWWNFSA-N 496.564 0.964 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)c2ccco2)CCO3)c1 1829826033 OZKUFMUZLIXDIQ-REWPJTCUSA-N 455.467 0.963 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)NC(=O)OC(C)(C)C 1830064391 KPSFGOXWZWWMMO-WAIKUNEKSA-N 496.561 0.449 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC(=O)NC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1831280454 BNZNCTQDKHAYGU-GAJHUEQPSA-N 480.562 0.145 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)C(C)C)C2)C1 1831997946 AHDKZBYYISSHAD-IUKKYPGJSA-N 469.579 0.929 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1831999285 ZHJSAFBLKBOVPV-MWTRTKDXSA-N 493.561 0.665 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO3)c(C#N)c1 1832162260 LAOVMNCSIDZRAI-RTWAWAEBSA-N 485.459 0.879 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833024663 WDNXXNUCVJVUJV-VBURHUQHSA-N 476.530 0.040 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)O[C@H]2C1 1835362169 GHHUSTCJNNRVRJ-FLFXDLLNSA-N 492.573 0.771 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1835530297 HWCFTRUSVQVEHM-IEGUWTFLSA-N 468.595 0.897 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1 1835768459 HDQUCPLSQROJMP-ZRZWOPFXSA-N 461.567 0.769 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(C)C)C(C)C)CCO2 1835892649 GAZKQOMHAHFYDF-OENHHBGDSA-N 450.580 0.324 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836685922 WZYHCTXKAZTCGB-WHSBFGAESA-N 485.581 0.382 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1ccccc1=O 1837686913 MPFHBESKDOIMAX-SBRVNECPSA-N 456.499 0.578 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Br)cn3)CCO2)C1 1837826131 FOEDYFXAGHZYIM-FOIQADDNSA-N 466.332 0.952 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131255 UILYFMZXFROQRA-HSZRJFAPSA-N 460.531 0.617 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnn4)C3)C2)c(C#N)c1 1839132373 DKYHMTVATGBROW-QHCPKHFHSA-N 451.483 0.670 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1839173158 CGAHVGAQUKAIDF-CLOONOSVSA-N 491.585 0.743 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1839173370 LXFGEUXGOYJXFM-WMZHIEFXSA-N 467.563 0.503 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1839173969 YFDOGDKXXZLJLJ-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1839175323 BYHQQHZKCAEZKS-QHCPKHFHSA-N 477.514 0.678 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839419584 JOEFOWFZTWOLFL-HXUWFJFHSA-N 453.492 0.202 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n4ccnc4n3)CCO2)C1 1839550656 WRNVDLFFSONIKE-JTSKRJEESA-N 458.519 0.909 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn4c3CCN(C(=O)OC(C)(C)C)CC4)C2)C1 1839808578 UVVDTJLDSJTXFV-DEOSSOPVSA-N 487.557 0.380 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839891293 XCJPUBFKXGMDRL-QGZVFWFLSA-N 463.528 0.515 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(Br)c3F)C2)C1 1840043479 AXCSLERXIGGPJX-LJQANCHMSA-N 469.263 0.746 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCCCC2=O)CCO3)c(C#N)c1 1840105717 UYQCGAAWBIIAFM-RUZDIDTESA-N 484.553 0.578 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1)c1ccc(O)cc1 1840219771 DIBOZDSOPQSAFR-PIBDYAPNSA-N 469.538 0.624 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840796285 DGSFNSAYJURALW-PDOGEWKWSA-N 496.605 0.827 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)nn1 1840819966 QMXPPQBNNWQWAW-QHCPKHFHSA-N 467.482 0.506 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1845200411 FBAFYKNHPVFFNG-HKUYNNGSSA-N 466.579 0.700 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H](O)NC(=O)OCC)C3)N(C(=O)OC(C)(C)C)C1 1846449534 NPXLABGINYHSEB-JKSUJKDBSA-N 466.535 0.820 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(N)=O 1847685206 BYOGFAIGHGUFNW-FHWLQOOXSA-N 484.557 0.864 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cccnc1 1848138500 YVMOXUSBPAQRCM-FHWLQOOXSA-N 469.542 0.930 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(OC)c1 502040292 DYPDCJWAZAEILF-UHFFFAOYSA-N 467.551 0.687 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 517775750 VVUFNBNIESVBTO-UHFFFAOYSA-N 459.488 0.672 30 20 JCED CS(=O)(=O)N(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(C#N)c1 591652058 FUFVWQODMSODOH-UHFFFAOYSA-N 478.552 0.984 30 20 JCED C=CCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 596337742 OHBDSSYHSGBBJI-HXUWFJFHSA-N 482.589 0.214 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 603506979 IRSYYRFLRHJZJA-UHFFFAOYSA-N 498.613 0.576 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 603995015 PBGQTBPJAPPBLO-UHFFFAOYSA-N 467.547 0.923 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCCC(=O)OC 604505919 GBQNFWXOXKIGET-UHFFFAOYSA-N 465.478 0.407 30 20 JCED CCOC(=O)C=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(=O)N1CCOCC1 608845978 NMZNWDJZDXBDFT-UHFFFAOYSA-N 485.562 0.624 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O 608911474 FNUWWIKNLKIBMK-UHFFFAOYSA-N 463.357 0.433 30 20 JCED CCOCCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cnn(C)c2)c1=O 725763075 CWVOEUQZBGITLJ-UHFFFAOYSA-N 452.492 0.794 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(Br)cc2)c1=O 727163092 KRLFGVHONUJQHO-UHFFFAOYSA-N 453.343 0.248 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)cc2)CC1 728533713 QCAQRFUFAPYCKT-UHFFFAOYSA-N 496.549 0.577 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)c1=O 729468970 VAAWVSRXXPPHGO-KRWDZBQOSA-N 479.534 0.083 30 20 JCED COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 915785052 DAQRBSAMPZSTNG-AWEZNQCLSA-N 460.516 0.433 30 20 JCED Cn1c(CCC(=O)[C@H](C#N)C(=O)N2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 916866761 FVYJQCUDTQUOQD-KRWDZBQOSA-N 473.555 0.858 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cccc(S(N)(=O)=O)c2)c1 918441178 XPJUSTOGNKTXCS-HKOYGPOVSA-N 493.567 0.402 30 20 JCED Cn1nc(C(=O)N2CCN(CCOC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)ccc1=O 1122406933 MTJAUIGKBYTGPO-SFHVURJKSA-N 478.509 0.006 30 20 JCED CC(C)C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1287332089 IWTZFICAHFWYPM-KURKYZTESA-N 469.612 0.316 30 20 JCED N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1292655483 QPMAAHNMEHEWBB-GJZGRUSLSA-N 458.334 0.314 30 20 JCED CS(=O)(=O)c1ccc(OCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1302428532 SYJAZCHBNLKZEG-RDJZCZTQSA-N 460.516 0.440 30 20 JCED COCC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315966824 UFFXHVLXYLZHOM-QFIPXVFZSA-N 456.551 0.797 30 20 JCED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1617716212 XRUVRCALUSJXFW-SFHVURJKSA-N 496.615 0.634 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1695508395 WKETWAAJLZZONH-UHFFFAOYSA-N 494.600 0.951 30 20 JCED N#Cc1c(F)cccc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC1 1712877552 OGJVIDXCLGGHFI-OAHLLOKOSA-N 476.463 0.948 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1nncn1C 1723613111 WHSFREKYBFAHKB-UHFFFAOYSA-N 452.498 0.930 30 20 JCED CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)S(C)(=O)=O 1746312319 RMDQDIQVGLTDSS-UHFFFAOYSA-N 461.548 0.337 30 20 JCED C[C@@H]1CCCN(C(C)(C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1752136861 XJRLHZBWOKNALC-GUDVDZBRSA-N 495.650 0.850 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CN)C3)c(C(F)(F)F)n1 1777755622 NJGZACUYDXWTCM-QMTMVMCOSA-N 454.453 0.386 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1778120827 JNMYJUSJWSQJNG-KSEXMQBYSA-N 462.547 0.542 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CC3(OC)CN(C(=O)OC(C)(C)C)C3)C2)C1 1778136706 PTBGITVNBRDVGA-JPYJTQIMSA-N 479.574 0.881 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134727 NMZQAMUXBFUQHO-ISCKSEBJSA-N 478.546 0.804 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1780158478 MYDIXVRJVVZQHA-AREMUKBSSA-N 484.549 0.978 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781250650 DCHTVMMKHUIXLD-NRYAXDJKSA-N 472.542 0.822 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1781689298 XGANYSNAMKWBPW-OBJVCVJISA-N 469.604 0.795 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)ccc1Br 1781906330 VWDVZJCXTJBSTD-GOSISDBHSA-N 450.293 0.433 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782015246 CFGQYNMIKRTPEM-YGKZAACZSA-N 475.542 0.845 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1782892905 BLHOVARFXPXURD-XCGNWRKASA-N 486.635 0.896 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783538757 XXVVBGHLASQFGV-SDCPUCEBSA-N 464.522 0.585 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783626324 TXNXBQAJIDEOAV-FKSLSLAPSA-N 478.590 0.962 30 20 JCED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C[C@@H]21 1784382282 QUNQPGHSMLKUGM-BVSLBCMMSA-N 463.534 0.995 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1785576294 CFBFGRJGGZVSGQ-DGGJZMOXSA-N 462.547 0.424 30 20 JCED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)[C@]34CCN(C(=O)OC(C)(C)C)C4)C2)C1 1785622898 YNNNJBLVFGMRBI-VWMXVWASSA-N 476.574 0.766 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]nnc5n4)C[C@@H]32)c1Cl 1789267800 APZJZCBCTPQVAE-NOLJZWGESA-N 482.888 0.245 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)c1Cl 1793615626 VNVPUOVRRPBBSR-USGNIVHTSA-N 456.886 0.730 30 20 JCED O=C(Cn1nnc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1793712992 BOOHALGKYVCOFA-JMNZSAOUSA-N 456.503 0.550 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794504569 ZNOVRCHJAKEQLA-QSNWEANLSA-N 471.558 0.202 30 20 JCED COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795277923 VTZRMHQYRYBIGI-MWZSMPGESA-N 488.581 0.714 30 20 JCED COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1795355014 AEYZGINWGBQLTJ-OPVJXMOQSA-N 494.589 0.780 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795413384 AXOHKKYXKFBDLV-YYIAUSFCSA-N 492.577 0.222 30 20 JCED NC(=O)CC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1795533977 DRMBQFYFTVONIL-AANQFLQQSA-N 474.561 0.882 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)c2c1 1795929761 FKGUTCKLZIQFOK-IVWMJMPLSA-N 495.521 0.103 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2)[C@H]1SC(=N)NC1=O 1796430112 ZWIAFPWQRAJYJJ-LKIBZCMFSA-N 455.540 0.758 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796447264 YZPDEYGPQSJXLM-STTCEVGWSA-N 479.555 0.920 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](C)S)C4)CC2)CC1 1797280121 WRYRLHPQXSRAHX-KBMWQNTOSA-N 466.648 0.617 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1797712711 SVZZMTMIVUYKDV-FLXSYLCISA-N 497.589 0.606 30 20 JCED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)no1 1797829121 DQTLJDIMEVPSMV-YVWYUNDQSA-N 477.481 0.364 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncon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c1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807055545 MMXKSPJTQZNVMG-SFYKDHMMSA-N 464.526 0.631 30 20 JCED Cn1c(=O)c2c(CC(=O)NC[C@H]3CCN(C(=O)CC#N)[C@H]3c3cccnc3)csc2n(C)c1=O 1807334929 WJAMRZMCQTYOPW-QRWLVFNGSA-N 480.550 0.856 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808197417 FUKVQIGDKQAVBF-TXPKVOOTSA-N 460.487 0.061 30 20 JCED Nc1n[nH]c(CCC(=O)N2CC[C@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@@H]2c2cccnc2)n1 1810357267 JQVHHFJHYGUIQK-YUZIXUCMSA-N 470.534 0.950 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812881221 WJRHDRJKRPINAH-TWFHAPMSSA-N 486.525 0.546 30 20 JCED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)n(-c2cccc(=O)n2C)n1 1817686184 XNPOEKXMOZODJP-INIZCTEOSA-N 477.481 0.996 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1829346706 ZIXHGYWJXAFCCS-IVZQSRNASA-N 473.555 0.633 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1829748848 JDFOXXHVTZMZKH-NRFANRHFSA-N 456.528 0.764 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cnc3OC)C2)C1 1829759570 HLFSKQHUCPJXHO-QATSOJGNSA-N 478.933 0.672 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(F)cc3)C2)C1 1829765062 FPNSXUIKFLDOML-XBKFQHLESA-N 461.490 0.519 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1829769168 MMMZVJMKCZJSIK-WRAFWBCBSA-N 483.525 0.207 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468011 CMIOROZAUVWOPF-SIKLNZKXSA-N 479.917 0.212 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2)C1 1831133081 PLCCLJXXUURXJO-NTKDMRAZSA-N 497.589 0.413 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1831434293 VHKOSUMPGYOEPT-UTSGNWPNSA-N 456.543 0.800 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832497219 LUTLUGFSFXHYKA-ZTNDBTQUSA-N 472.542 0.755 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)CC1 1833076999 MPCVDWAINKNBSK-SREVYHEPSA-N 477.606 0.941 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1833335278 RXUBUMOQFGVITL-VHZQKOCRSA-N 489.529 0.639 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c(O)n1 1833700293 SHJYKLKLFXWFMA-JRUKXMRZSA-N 484.553 0.811 30 20 JCED O=C(O)c1cc(C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)ncn1 1833969071 UHROKVVKPMARNO-WMPMWDHYSA-N 488.545 0.889 30 20 JCED C=CCCc1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c(O)n1 1834028722 WSPSDCOVGFVZCG-NRFANRHFSA-N 486.617 0.684 30 20 JCED CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835055949 DYZTZLAJRNASKK-UUCLDJJNSA-N 466.583 0.534 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOC)CCO2)C1 1835228194 ULKOVKYWYADFLD-VGSWGCGISA-N 455.552 0.949 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)CC1 1835338651 PANCSEFOHOMUGQ-HSZRJFAPSA-N 492.573 0.509 30 20 JCED N[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1cccnc1 1835833265 GKAPAUVQZNNZEW-BWKNWUBXSA-N 470.570 0.627 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836128827 WUWGOVMJZQTSQF-HRAATJIYSA-N 450.492 0.267 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5c(c4)NC(=O)CO5)CCO3)C2)CCC1 1836995017 VZXROZHFILQBDQ-QHCPKHFHSA-N 454.483 0.781 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c(Cl)c1 1837275105 GLIMCJGUUMFXSX-OAQYLSRUSA-N 473.921 0.615 30 20 JCED CCN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1837496624 LVMILESVHMRUTQ-RUZDIDTESA-N 461.603 0.873 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1837526641 VCLULWGKLOLRGH-ZSSPPZGKSA-N 468.457 0.959 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1C 1837531583 QAUQJAARQYDSGS-RRPYSREYSA-N 465.507 0.028 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1837608084 TZZIMMZUIUVHBJ-AXHZCLLHSA-N 471.558 0.820 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837884046 XVBZLGOBSHWMIH-FQEVSTJZSA-N 471.558 0.528 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838415011 VQGLMALATHEQLM-BTYIYWSLSA-N 462.528 0.417 30 20 JCED CC[C@@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131336 WXLIMETTYQJZCY-KOSHJBKYSA-N 494.589 0.755 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4ccnn4)C3)C2)c(C#N)c1 1839132731 QPBMBHGEVOGXMD-HXOBKFHXSA-N 468.514 0.418 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1839390312 YNLHVNZMWJCZAA-VVUOPNQJSA-N 475.542 0.786 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c(Cl)c1 1839425137 NXXHQQNRRLXJRM-OAQYLSRUSA-N 458.906 0.963 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)c1 1839452926 DRTZVGWKKKSGAQ-NLFFAJNJSA-N 469.586 0.573 30 20 JCED COc1ccc(Cl)cc1CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044289 BSXNXOBTDDKXFL-OAQYLSRUSA-N 450.875 0.436 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]3CCO[C@H]31)CCO2 1840071746 HHHKWGCAIXTQOB-RTCJPFEHSA-N 477.558 0.348 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCOC[C@]4(CN(C(=O)[C@@H](C)S)CCO4)C3)CC2=O)c1 1840156971 ZUDCPPQHGNBDSV-QZMQVMSPSA-N 477.583 0.823 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251766 WZUKAUCLYVJJDX-MBSDFSHPSA-N 490.561 0.300 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCc3ccc(OC)cc3)CCO2)C1 1840253061 QOMZYWURVKBUPM-YADARESESA-N 460.527 0.707 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(C(N)=O)cc5)CCO4)C3)c2c1 1840648713 ZZGMODMSAXQPAL-RUZDIDTESA-N 488.504 0.917 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)cc1C#N 1840763107 IBLYQRHYSQTDIZ-NTKDMRAZSA-N 470.526 0.694 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCO2 1840771736 MWQDHTHEKUIEQB-XMMPIXPASA-N 451.479 0.599 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1840841670 NVSFFLCQWAFNTB-VGSWGCGISA-N 452.552 0.098 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C 1848073901 UJTSAQLTNSBBPY-QYZOEREBSA-N 498.646 0.778 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1[N+](=O)[O-] 32832632 AJRQJDAOTIVOCS-IBGZPJMESA-N 453.521 0.964 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccs2)c1=O 501767455 WSWFJCUZYGPDJI-AWEZNQCLSA-N 461.565 0.723 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(F)c2)c1=O 522284226 VPKJOANBPZBVQX-UHFFFAOYSA-N 474.558 0.037 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(OC)cc3)c2=O)cn1 523182898 HLMXTOKYDQIKMA-UHFFFAOYSA-N 453.524 0.390 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1cnn(CC)c1 523863108 NIQZPGKFVYXVDC-UHFFFAOYSA-N 450.480 0.829 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)c(C)c1 524282895 QYYRHADSTWVJNU-UHFFFAOYSA-N 490.541 0.925 30 20 JCED Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 603551131 CIJLZPAMPZKZCP-UHFFFAOYSA-N 491.595 0.861 30 20 JCED COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1[N+](=O)[O-] 604450128 JDLVPHZHRJLUIH-UHFFFAOYSA-N 491.530 0.945 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc2c(c1)OCCO2 619538574 LYECCVFICVNASS-UHFFFAOYSA-N 464.459 0.827 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H](C)c1cccs1 726583461 ZYVAMSZCSVVWHW-KBPBESRZSA-N 457.581 0.968 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 753658017 KKKLRTTUHSLUEC-UHFFFAOYSA-N 465.434 0.788 30 20 JCED COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769216124 GNSRALQESNDQFO-UHFFFAOYSA-N 474.495 0.452 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1c(C)cccc1C 838357276 SXWFNLCELITCDN-MRXNPFEDSA-N 451.552 0.904 30 20 JCED CC(C)NC(=O)[C@@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 916945939 ZINSAACSEOARSG-INIZCTEOSA-N 461.544 0.760 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2CC(C)C)CC1 917355104 OMXXZDSZDBADKV-UHFFFAOYSA-N 456.616 0.583 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286542312 UOCVQFOIENENHX-CYBMUJFWSA-N 496.453 0.949 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286629128 KIAHCAUAVAGSJX-ZIAGYGMSSA-N 468.001 0.377 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCO1 1301903335 XIOOAYABBHNAME-LJQANCHMSA-N 453.503 0.017 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 1303639480 FLPXJNNZQURWAM-NVXWUHKLSA-N 467.596 0.798 30 20 JCED CCN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1313556836 ZEPNGKONIRSTGN-GOSISDBHSA-N 475.575 0.597 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CC1(O)CCS(=O)(=O)CC1 1314727005 OCAONYXXNMOPPL-UHFFFAOYSA-N 472.571 0.848 30 20 JCED CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1502361708 NMGWGSHZSXUQEH-AWEZNQCLSA-N 458.548 0.820 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1503839904 RQWBTKFQKBLQDG-UHFFFAOYSA-N 459.576 0.952 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)(F)F 1510199060 ORUJJENIXSMOHU-IAQYHMDHSA-N 451.475 0.697 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1517076170 ZYXWWFOVOOJJTO-OAQYLSRUSA-N 467.574 0.959 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)CCOC)CCO1 1554452442 XMSPTPXKKLPYQL-GCJKJVERSA-N 458.519 0.467 30 20 JCED CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1695923007 WWOVFSWFHHVELP-GOSISDBHSA-N 469.546 0.842 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CCOC)c2)CC1 1695934641 WEDRLKDNOGWSOX-UHFFFAOYSA-N 477.573 0.966 30 20 JCED CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1696927471 MMEBIROBIULVBB-QHCPKHFHSA-N 467.530 0.550 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCC(=O)N1CCOCC1 1706868068 TUSAFCUGXNLIAH-OAHLLOKOSA-N 453.569 0.267 30 20 JCED CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1711313778 XCWGXYZVXLITQT-INIZCTEOSA-N 455.519 0.406 30 20 JCED CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1711352207 OKDZHBSQFVWUCR-UHFFFAOYSA-N 464.574 0.943 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740803656 UHKKZNCMNVMVST-HUUCEWRRSA-N 497.043 0.272 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)NCC(F)F 1741909686 WHPFWDQYGGCPLA-GFCCVEGCSA-N 455.491 0.778 30 20 JCED CCN1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1767026255 AYVURPDGBOBHHV-XYJFISCASA-N 450.613 0.407 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014064 QBZVVLHUTQKPQR-KPFWAHBNSA-N 467.567 0.174 30 20 JCED CN(CC(=O)N1CC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1)C(=O)C(=O)O 1782747926 PJNJOGUUOQONRV-OAQYLSRUSA-N 451.596 0.410 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c(C(F)(F)F)n1 1782956902 IFJOSFCURHMTLX-HNAYVOBHSA-N 486.472 0.993 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)O2)C1 1783576319 XVLXCMPKPDEAMF-FJIDUMEYSA-N 491.541 0.223 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)OC)C2)C1 1783990432 AHVSHMCAIWSMRD-YGKZAACZSA-N 498.577 0.657 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)N(C(=O)OC(C)(C)C)C1 1784087888 CFMWGGBZOCNKGR-HOIFWPIMSA-N 475.550 0.630 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1785576644 LJBXFIYAEAYESM-VGSWGCGISA-N 460.535 0.415 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CCSC)CCO2)C1 1785578075 VUDXWLDOXOZEOL-HOIFWPIMSA-N 469.604 0.847 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787393362 MJMRIMHKHHYUQT-AGSJLGIBSA-N 498.577 0.381 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1788658810 OXPRKCHQCBMBJC-KLWAUTOCSA-N 484.509 0.944 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1789935848 MBHJJXMCVGXTGY-XSLAGTTESA-N 464.563 0.936 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792109045 QEYIXDIQTHEVPL-VMXHOPILSA-N 495.621 0.418 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C(/C)C(=O)O)[C@H]2C1 1792170202 LUQGGCGWYADZAP-DTGPFZNUSA-N 463.531 0.914 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792832138 QWSZMHOMDIRKTI-ADYITMSISA-N 471.510 0.575 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cncn1-c1ccncc1 1794464738 VYYATMZWDVITFN-FKMLMQSASA-N 468.514 1.000 30 20 JCED O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795300365 ZMWOZHFMRMXWRP-ASMPTTBBSA-N 493.582 0.969 30 20 JCED COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1796586413 GUFYVZIRAHJNBF-BBIADKPPSA-N 467.526 0.856 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnn2c1CN(C(=O)OC(C)(C)C)CC2 1797315508 ITPLGGHQKJHMJN-HGTKMLMNSA-N 480.591 0.550 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 1797811109 HMTYKDWNACIUOQ-BMDJJADWSA-N 468.514 1.000 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)C3)c1 1798573719 HAFSVCGNQJEJOQ-WGVRVLLMSA-N 493.520 0.776 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSC(=N)N)C3)CC1 1799236688 WDDDHOBUTYAFDW-SCAQPMJSSA-N 494.618 0.744 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1799249079 BWUSKPCXWYMSRK-KYHPRHEASA-N 480.562 0.972 30 20 JCED COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1799382692 HSUFHMFZJRSWFK-OSLZNRIZSA-N 495.573 0.374 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cnc2c(c1)CCNCC2 1800243394 WTJBCHRIRLKUAC-RUMRUAAYSA-N 466.582 0.672 30 20 JCED COC(=O)[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S)NC(=O)OC(C)(C)C 1800989243 HBQKXMKQPRMINX-JAAXMTQOSA-N 459.565 0.351 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)NC2)C3)N(C(=O)OC(C)(C)C)C1 1801101845 DONKILYYHITYNV-PKRADWSKSA-N 476.574 0.668 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804352869 HHUKUKBVOLCERP-JBYIUTFZSA-N 476.493 0.636 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCS(C)(=O)=O)C2 1804376673 PVGROXQFSPZTGJ-YVSFHVDLSA-N 455.577 0.976 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NC(=O)NCC)[C@@H]1c1cccnc1 1810231764 DHYPCCAPQVSCLC-WHRWUAKBSA-N 456.547 0.653 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810328544 ZXNCPXKLVXUKSY-WOIUINJBSA-N 455.559 0.379 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813179500 WOENOQBSIPDQMA-UQBPGWFLSA-N 473.489 0.963 30 20 JCED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1823079452 UHGSJBKZYRRWDV-KBPBESRZSA-N 471.605 0.586 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)NC(=O)OC(C)(C)C)sc2C1 1823563826 KHHSSRZRBYLFOE-PEBVRCNWSA-N 452.533 0.937 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828804856 YHFQWNAMFREKQJ-GAJHUEQPSA-N 455.515 0.864 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807888 XFZNDDIUGJXOMU-CVDCTZTESA-N 487.513 0.417 30 20 JCED Cc1nccc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1829081843 HSXJHLKXPUIDGN-RUZDIDTESA-N 491.504 0.939 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1829262965 AIQSMGKWMFGXRX-XMMPIXPASA-N 473.493 0.823 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]13COC[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1829846610 ZDGPTHDKOSKNBZ-RZRCNZQPSA-N 499.630 0.645 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ccccn5n4)C3)C2)cc1 1829902555 UAEUGJIKAFTOGT-DEOSSOPVSA-N 460.494 0.914 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1830037878 GKFCFYYNJUJBFF-SBUREZEXSA-N 465.547 0.396 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CCOC1 1831219366 WUYOEDWVJKULQK-DNQXCXABSA-N 477.558 0.540 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)C2)C1 1831392132 JHVIKHAVEMIKSV-KOSHJBKYSA-N 479.574 0.738 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1831999500 ZUQSLSPUUYWRKF-GAJHUEQPSA-N 497.593 0.183 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1832052719 VVNOVMVJCBJXLJ-GUUZLSKKSA-N 493.605 0.924 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3c(=O)oc4ccccc43)CCO2)C1 1832756081 ZELAIPZTDUUEJX-HSZRJFAPSA-N 456.499 0.991 30 20 JCED O=C1NC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)O1 1833513183 VCBIRGVYGNGKAK-DYOPXDPWSA-N 451.524 0.195 30 20 JCED COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1833767425 YZCSDFUCUXUQAO-KHLOOKIASA-N 462.503 0.689 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(C(C)=O)[nH]n3)CC2)CC1 1834067088 LZGDMRGGQDJIAD-PLNGDYQASA-N 456.547 0.656 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834590302 FMLAESJEDWYKPA-NTKDMRAZSA-N 488.541 0.774 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1834716430 ZMOSJCMXUFVHLU-SREVYHEPSA-N 458.607 0.675 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731819 IJHAKKAOFYQZGW-JVWAILMASA-N 470.578 0.232 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1)C(=O)O 1835766516 PLGDVZDIIMGSCZ-CYFREDJKSA-N 488.541 0.478 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3Cc4ccccc4CN3)CCO2)C1 1836485447 WZEYRKPWJVLGTQ-XZOYJPPVSA-N 458.559 0.958 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1)c1cccs1 1836520527 KSQALCZXWTUTMS-SHTLVRLNSA-N 459.528 0.625 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1837393641 XWDATSGUCHENMY-LLJLJFOGSA-N 499.605 0.292 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837461916 IXOXNHJDNQTYDY-HSZRJFAPSA-N 473.599 0.431 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837462873 UVDYVPJPAHZLHW-JOCHJYFZSA-N 479.002 0.632 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837491636 RQSVPQAPBUJDDX-XMMPIXPASA-N 467.526 0.498 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837499181 FCZXEWQYDRSFEI-NFBKMPQASA-N 473.482 0.123 30 20 JCED CCOc1ncc(Cl)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838114272 CSBXGYQTYVVBPS-FQEVSTJZSA-N 451.863 0.292 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)cn2[nH]cnc(=O)c12 1838468444 FACKKOLBPLMRMJ-LAUBAEHRSA-N 463.560 0.355 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)nn1 1838832639 XHUXLKVEQDIRSW-DEOSSOPVSA-N 481.509 0.896 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839106821 COIGBNRDFIHIDV-ZJSXRUAMSA-N 460.619 0.991 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnn4)C3)C2)c(C#N)c1 1839133525 UNSOUCMNFWVLLA-DEOSSOPVSA-N 481.509 0.435 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1839174916 DGEKJJUKPIGCJW-HSZRJFAPSA-N 456.499 0.914 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840009396 YXZBTHWWNKRNIE-QQMNAOGKSA-N 499.630 0.787 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(C(F)(F)F)c1 1840043525 DGEXOCVKSSRPMC-HXUWFJFHSA-N 465.384 0.735 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044673 QWMOBZNVXMHRLZ-PKKBDPGCSA-N 491.541 0.178 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(I)cnn3C)C2)C1 1840173458 ZIFQXIRCUGISAH-KRWDZBQOSA-N 474.299 0.671 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)cc1C#N 1840233438 UFDSHOXRXUGCCI-CLOONOSVSA-N 484.553 0.942 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1840295941 NNOQJZMWTHZGIB-HXUWFJFHSA-N 453.586 0.497 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1)NC(=O)OC(C)(C)C 1840795959 LIYCVLDFTCIGNT-ZHRRBRCNSA-N 479.534 0.999 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840830767 CCDBIAQEXURQBM-JPYJTQIMSA-N 465.547 0.891 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1840842354 CJFOKVAACNMSJU-KHCICDEESA-N 479.574 0.474 30 20 JCED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1)NC(=O)OC(C)(C)C 1841895348 UIOMTXUCSFPWJP-SFHVURJKSA-N 498.646 0.780 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841961412 ODEBUCPIIXTQKC-GJZGRUSLSA-N 463.535 0.647 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC)NC(C)=O)C1 1844387917 ISYXEZPONULGNM-DLBZAZTESA-N 450.536 0.258 30 20 JCED CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](/N=C/C(O)=C/[C@@H](O)[C@H](O)CO)C1 2048529146 KNTYLUZSSSHOSU-MERWVTBCSA-N 456.536 0.554 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 30645908 NGDVVFYGHWDBIG-UHFFFAOYSA-N 457.560 0.611 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C2CC2)c1=O 500570229 ORLCDVFQQVMNLZ-UHFFFAOYSA-N 458.496 0.817 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 515361042 JPTWUUQHIUVCIW-ROUUACIJSA-N 458.540 0.956 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 604196526 NDMANWGNOMSDDC-UHFFFAOYSA-N 471.539 0.945 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 727671099 OQHGTJIFTAIEOZ-UHFFFAOYSA-N 468.535 0.912 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)CSc3nncn3C)c2)CC1 728532718 IDGAUOQCZJFJNF-UHFFFAOYSA-N 455.544 0.053 30 20 JCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)Cc1cccc(C#N)c1 750418494 MQRUTVZFLPPOCO-UHFFFAOYSA-N 452.514 0.177 30 20 JCED CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 857763607 RMHNJFKUOMVMAQ-MRXNPFEDSA-N 476.555 0.581 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 887561305 DZFKWOKMYIPYOI-AWEZNQCLSA-N 481.527 0.817 30 20 JCED CCn1c(CCC(=O)[C@@H](C#N)C(=O)NCCOC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 916892198 ITLGLYRKJBPOPW-QGZVFWFLSA-N 491.570 0.481 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC)C1 1300850045 VWKNGXXMNUCBNT-UONOGXRCSA-N 480.385 0.371 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOCC1(C)C 1301968736 OYMVPPFYUTYOCP-IAGOWNOFSA-N 469.612 0.318 30 20 JCED CCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)NC)c2ccccc2c1=O 1502365101 WOCSFQZIOKXKHZ-FQEVSTJZSA-N 474.522 0.666 30 20 JCED C[C@H]1CN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1512368882 XCGIHJVTLYNTEY-XMTFNYHQSA-N 466.608 0.797 30 20 JCED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1612653467 KRAPGIJXUFYUAK-DOTOQJQBSA-N 457.560 0.765 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2CCCO)C1 1712707555 YMOAHNDOCNSBRK-RTBURBONSA-N 481.623 0.198 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)N1CCOCC1 1741675222 TVGLQGMWZZTXGY-GOSISDBHSA-N 467.578 0.730 30 20 JCED COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1749043736 KWEPYQLFSVTBSC-QGZVFWFLSA-N 461.544 0.546 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1765649473 OXAPXMOCTXAPIT-XMMPIXPASA-N 483.573 0.792 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778055198 MAPMRDJZGIXEIE-MZNJEOGPSA-N 480.525 0.587 30 20 JCED O=C1NCCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC5(O)CCCCC5)C4)C3)cc21 1779065595 YGPHFKKBJKSRKD-XMMPIXPASA-N 469.542 0.159 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1779074136 WEHWULBBZUIPJE-KNQAVFIVSA-N 461.446 0.636 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1779402397 MYHKKOJUEZLURO-XSBRWMHASA-N 497.545 0.524 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1781167751 ITUUMHIAMVJQQC-HXOBKFHXSA-N 474.562 0.955 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1781264379 YEXNDQNICBVGKI-MHECFPHRSA-N 493.557 0.904 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781561090 XODIFNNNERFHEI-AWWPTUBISA-N 487.513 0.129 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C3)C2)c1 1781860374 HNUQRALUOQWGAU-JPYJTQIMSA-N 474.514 0.853 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CNC(=O)c5ccco5)CCO4)C3)c2c1 1782196102 UOUWFZOBEHSDOF-QHCPKHFHSA-N 462.466 0.901 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782197841 DURQAJKENAZYKS-VXKWHMMOSA-N 455.471 0.494 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1783268574 LOKARLRNKBKZMB-UTBIRPSLSA-N 476.574 0.696 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783291299 URQJVOLIQYBMAX-WJONJSRFSA-N 465.551 0.085 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1783478496 LCDPRJMAVIQYSG-WMDQAZIPSA-N 493.601 0.622 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1783535575 OQYIRWJJZSWNMN-AKSSPNHOSA-N 464.563 0.739 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ccc(C(F)(F)F)cn13)CCO2 1783564451 JWSPTZFYRJFXFD-LJQANCHMSA-N 450.373 0.885 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)C1 1784006561 MBLUNDWZWGZEAY-FGZHOGPDSA-N 450.536 0.738 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1784503358 XXMMVPKQTZLSCG-WSMBLCCSSA-N 452.533 0.023 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1784539343 OGYYZIHKFNZDQL-YDRUYBAWSA-N 498.671 0.101 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)ccc1F 1785545470 WFRQKVWAYRLXFX-OAQYLSRUSA-N 476.555 0.930 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCNC5=O)[C@H]3C2)ccc1F 1786261521 WJQGOBXRHYHVJD-WJPUGNRLSA-N 480.500 0.473 30 20 JCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)C[C@@H]32)CC1 1786694315 XFZQEJVDCIXVDT-LNLFQRSKSA-N 466.542 0.305 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC(N)=O)[C@H]2C1 1787412882 QJORBFPGUZQAAW-YZZQMHEZSA-N 493.605 0.882 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3c(=O)n(C)c4ccccc43)[C@H]2C1 1788138694 HDCRJQCZMYGFTI-NTLWEQJWSA-N 454.527 0.358 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3CS(C)(=O)=O)C[C@@H]21 1788571355 HQGGVUNEKNEOJF-LWCVALJOSA-N 479.599 0.793 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1788658973 DTAPUECOJSEXPQ-RGDGEWHGSA-N 472.502 0.557 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1)C(F)(F)F 1789201122 ILNRSLHMHUCQMM-YDHLFZDLSA-N 451.405 0.801 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)N4CCN(C)CC4)C[C@@H]32)c1 1789259201 RVCBVXDSLBVLHQ-UJFGGOPNSA-N 469.586 0.796 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4c3CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 1790792465 OBDJTSVLHIJJFK-LNLFQRSKSA-N 471.558 0.903 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Br)nc3F)C[C@@H]21 1791074376 WPLLWAPDMHGPKT-DRZSPHRISA-N 454.252 0.665 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21)C(C)(C)S 1791191977 LGWDJZNUOMSQNA-IQWQSGHPSA-N 498.646 0.846 30 20 JCED COC(=O)[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21)NC(=O)OC(C)(C)C 1791195383 UMMXHFPWCFDWPE-NXOAAHMSSA-N 478.546 0.726 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(OC3CCOCC3)n1)C2 1793345297 RCNQYJALMMRBDK-QSNWEANLSA-N 457.527 0.881 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1793360921 BKUZIZRXZILEOS-QTQYAOCESA-N 457.571 0.803 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1793597556 NLYRZVPXMMMOBU-BASYENTBSA-N 477.566 0.379 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1793829657 GLICAQUFJVMIJL-QKPAOTATSA-N 463.535 0.646 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(=O)oc1 1794998246 IQZYBWMOLDUKHG-ZMMAXQRCSA-N 459.499 0.760 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1795602325 IDJOYXLTKIWWOK-CEQLMSFQSA-N 455.559 0.678 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1)NC(=O)OC(C)(C)C 1795855116 MXXCTTBAAICXED-CLWJZODNSA-N 462.551 0.727 30 20 JCED CCn1c(-n2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)cc2C)cccc1=O 1795935840 NSHFWPZSDJJJFZ-UPHUGPLXSA-N 464.526 0.869 30 20 JCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C3)c(C(F)(F)F)n1 1796458780 RFFDVKNKTFAVLH-QVHKTLOISA-N 452.437 0.817 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1797811324 KZLIKJGLSPZNFT-UHXXWTPBSA-N 460.487 0.585 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)Nc2cccnc2)ccc1F 1797889313 KOSNZUSEMWQURI-UPHUGPLXSA-N 451.458 0.863 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](COC)NC(C)=O)c(O)n1 1797965184 MCGOWCOFOUQVEF-JSJNYSNDSA-N 460.531 0.260 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN)C2 1798357805 DAGAYFQFEGEEFZ-QKPAOTATSA-N 453.540 0.389 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798925408 WWEILEVWHOVLGC-DMUMMCEESA-N 485.541 0.530 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799152013 ZDSHVOPLEXVTTC-JAUHRSLLSA-N 466.538 0.928 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1799325271 ZNLGNXXBZCCFID-JNIAIEOXSA-N 478.590 0.962 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO)C(C)(C)S 1799339316 ICIJQEUUTGDQLO-YALNPMBYSA-N 475.608 0.187 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCCNC4=O)C3)c1 1799746184 QYDMWAGNONVTFK-YVWYUNDQSA-N 466.473 0.544 30 20 JCED C[C@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778686 BVBRRZZQRUTOPM-JRNKBRHVSA-N 492.532 0.077 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(C)C(=O)C(=O)O)N(C(=O)OC(C)(C)C)C1 1801331826 RGBONPJEIONPRA-YVSFHVDLSA-N 478.546 0.733 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1801991713 IZGAGKHVNCRRTM-MAEPKYQWSA-N 466.538 0.928 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C2 1802124757 IVICBEQUSXHDMM-PJVZLEMVSA-N 464.563 0.407 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccccc1=O)C2 1802125755 RFXNDEAACYLSAW-GQUPQBGVSA-N 486.569 0.916 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1802139736 GGMLDPXDYZDJCH-CQVUMHHCSA-N 492.617 0.768 30 20 JCED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)cc1 1802576784 XMPDJPJFNCNOAI-AUSIDOKSSA-N 460.494 0.754 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1807152017 YYEXBVFNJBTFAT-FHWLQOOXSA-N 461.588 0.946 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)ccc2F)[C@H]1c1cccnc1)C(=O)C(=O)O 1811729309 DJNAXSVAPTWSHO-OXQOHEQNSA-N 467.457 0.955 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671602 KFKSYGGTWJMCSX-AHASJALOSA-N 492.554 0.904 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)N(C)C)CCN2C(=O)OCc2ccccc2)C1 1828931423 ABYKLEXQRIXJKJ-DFBJGRDBSA-N 484.553 0.565 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829121244 NMWOIAKJZZXPKU-CJAUYULYSA-N 495.536 0.353 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCN2C(=O)OCc1ccccc1 1829226386 ANZAFCJDGYKTNK-HOIFWPIMSA-N 462.572 0.891 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C(F)(F)F)C2)C1 1829764284 JFOUOILDYGBVAO-BBIZLLLXSA-N 485.463 0.367 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1829771078 DHZMWOCLVGZYGP-CXOFEFFFSA-N 481.553 0.067 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1829773829 WURRBSPUNBSBMR-HJZDHAKKSA-N 480.562 0.214 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904265 MTIHSPBDZFZJIE-JPYJTQIMSA-N 452.515 0.485 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCOC[C@@]4(CN(C(=O)C(C)(C)C#N)CCO4)C3)C[C@H]1CO2 1830060523 OXIIBLIJORHLFQ-VWMXVWASSA-N 492.573 0.771 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352507 NVNKFSPXSJKEEG-ZHRMCQFGSA-N 457.527 0.036 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1830352711 NOFQOVBESAGALT-VUMVONDWSA-N 472.542 0.172 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1830638255 KWJUWHYWROWHNS-QFIPXVFZSA-N 456.503 0.256 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831222763 GQLLMNZMLPNVLI-YADARESESA-N 493.557 0.313 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1831493141 OKKXDUBMAWMSFR-OXJNMPFZSA-N 466.585 0.780 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)ncn4)CCO3)C2)c(C(F)(F)F)n1 1831733774 UEEJJFIJDJLJDK-FQEVSTJZSA-N 492.414 0.851 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833125745 CPRIVMUPWCKNIU-QHCPKHFHSA-N 451.483 0.426 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1833607235 GYDLRRGGYJSKER-AOMKIAJQSA-N 462.503 0.271 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)c(O)n1 1834381702 JQLIXHRZQDVPBE-QHCPKHFHSA-N 455.515 0.873 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834765978 PDTGDYPITXQLFX-QHCPKHFHSA-N 498.577 0.304 30 20 JCED N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccccn1 1835701629 KYXVTMIZVAQCDK-PDKBDGBBSA-N 461.519 0.067 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)c(O)n1 1835993234 QRMBTGJLPIWBAD-VWLOTQADSA-N 482.537 0.838 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837078253 BCMRHPFAQHAWTR-XCUVTCGESA-N 471.514 0.933 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1837397646 RRKMRKRMTGGOSM-CSODHUTKSA-N 452.577 0.042 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1837428323 AQTHIQPKNCNHEX-QFIPXVFZSA-N 478.622 0.046 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837770724 LREKIRNTCUALRH-WUKOTQDVSA-N 481.500 0.785 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c1 1837949476 OBGDEAMFHNFQIH-JOCHJYFZSA-N 451.439 0.430 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)N4C[C@H]5C[C@H]5C4)C3)C2)c1 1838582474 OCYXPFLDAPVHRR-OTQUPPRASA-N 468.554 0.977 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(C(=O)OCC)c3)CCO2)C1 1838720603 VWOFOFZIDRFPQR-NTKDMRAZSA-N 475.542 0.901 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(O)c1 1838888150 PHKANKUXLDDWRL-QHCPKHFHSA-N 460.531 0.753 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1839173434 PIXUYHKAMURZSF-ROUUACIJSA-N 452.426 0.266 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191393 GQZMDACZHJMJEN-DKLXNKCPSA-N 497.589 0.718 30 20 JCED CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2 1839443429 GPVQJSITOFLNQL-HXUWFJFHSA-N 468.432 0.783 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839486067 KJGWALRPJSANBS-QFIPXVFZSA-N 487.538 0.411 30 20 JCED CC(C)(C)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488117 YVZQTVXREZHANL-QHCPKHFHSA-N 454.531 0.893 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839513054 VCMZYIKHTTXGML-MWTRTKDXSA-N 456.499 0.997 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cnn6c5CCC6)CCO4)C3)c2c1 1839533886 ZKEODLDXPWMFJO-XMMPIXPASA-N 475.509 0.961 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839552080 FQAHOELTKBBESZ-XQHLYRQSSA-N 471.514 0.933 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839717930 SAAVIWZFKZKJFE-XLIONFOSSA-N 468.532 0.167 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)cc1C#N 1840764092 IOJLAMHWQMZQCT-KBMIEXCESA-N 484.553 0.942 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1)NC(=O)OC(C)(C)C 1840796190 YRFRPCVWKGZICK-JPYJTQIMSA-N 492.577 0.594 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1)C2 1846195743 ZENFPHSJOZYADC-MOPGFXCFSA-N 469.494 0.440 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)C1 1848218964 RPNBTLOQSIMFCS-YESZJQIVSA-N 457.487 0.465 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1[N+](=O)[O-] 32832638 WTPJZJGTXMAJKD-IBGZPJMESA-N 451.505 0.718 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1-c1ccccc1 590964758 OLVGQQBCNUXDPR-UHFFFAOYSA-N 479.514 0.902 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1 642899315 PGBSRFKTIWAHCH-CQSZACIVSA-N 480.568 0.956 30 20 JCED N#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1Cl 728915512 VJJFYTHXPQCKNC-MRXNPFEDSA-N 474.992 0.675 30 20 JCED COc1ccc(CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 916178968 ZCVXKSNFFOCEEL-UHFFFAOYSA-N 493.563 0.776 30 20 JCED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNC(=S)NCCCN1CCOCC1 916312102 YENQSQGYHPCEMV-CQSZACIVSA-N 463.029 0.725 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917783061 GKCKZPAIUFIMKZ-UHFFFAOYSA-N 471.583 0.940 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccccc2)cc1 918269429 JLWGADFMGOMBQK-OTMWDORNSA-N 474.539 0.994 30 20 JCED CC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1291378033 ZNUKGFHLZHPSDX-OPAMFIHVSA-N 453.551 0.938 30 20 JCED COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301726097 ORWKEFLLMZFFNT-UHFFFAOYSA-N 496.616 0.376 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccccc1 1301968831 QMYLLDVEJBBQNH-HZPDHXFCSA-N 466.589 0.755 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCCCC1 1303863149 MUCYHSSWALCQSB-IEBWSBKVSA-N 464.640 0.941 30 20 JCED CC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1359364105 JMQBPZOOORGWLG-BEFAXECRSA-N 478.623 0.323 30 20 JCED CC(C)OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1360396681 MZPAAHHLKWANJC-MRXNPFEDSA-N 462.580 0.907 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)CCO1 1503773260 RLOCRXQIOCXUET-FXAWDEMLSA-N 453.547 0.736 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCCCC1 1510217872 LHMQTFQOEOYIQQ-SJLPKXTDSA-N 450.613 0.551 30 20 JCED CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1554435016 YGCTVGLSRXFWDK-UHFFFAOYSA-N 457.560 0.815 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCCN2CCCO)cc1 1731184945 MJBKIOSZZKBQRV-IBGZPJMESA-N 453.547 0.902 30 20 JCED COC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1748337678 JCZXKLQLUVOBIZ-UGSOOPFHSA-N 457.532 0.809 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCS(=O)(=O)CC 1749085088 XXEDYGLCEXGWJD-LLVKDONJSA-N 458.404 0.668 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060964 UVKCPPIRBIAKFL-JOCHJYFZSA-N 455.471 0.042 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)Cc2cccnc2)CCO3)c(C#N)c1 1781172750 WFCUAHIGJFKNRI-WIOPSUGQSA-N 463.538 0.904 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)Cn2cncn2)CCO3)c(C#N)c1 1781174008 ZABNQTUNHJVTKW-HXOBKFHXSA-N 452.515 0.867 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1781290188 GBGQXXOHEXZJAS-VVBPWWLESA-N 466.535 0.784 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873422 VDDLOKNAQRFTIO-MPWIWIEXSA-N 464.588 0.209 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)c2n1 1782886196 OOLXRDKRVWYCFI-HSZRJFAPSA-N 498.544 0.506 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)[C@@H]5CCCS5(=O)=O)C4)C3)c2c1 1782959180 HFPCWZPELKWGCX-UWJYYQICSA-N 457.512 0.455 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1783603574 PFVHGHCPYCQJPW-MWTRTKDXSA-N 478.546 0.967 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783990064 LQRHKIPHFPCIFI-KSWRQPAISA-N 459.609 0.806 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2)c1ccc(O)cc1 1784015132 WIMUKAQTNMEEAW-UUOWRZLLSA-N 468.510 0.271 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1785035676 VLOUCKPKNBHRFY-PTQOGAHQSA-N 495.623 0.197 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1787124540 AQVNQLPJQFOTLC-RABCQHRBSA-N 495.617 0.910 30 20 JCED C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1788725421 UIKSLKXZEKUCOD-QQDKQVRDSA-N 462.514 0.956 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]32)c(C#N)c1 1789843506 QTJROWGJEVRWKV-UBPTVHNVSA-N 473.526 0.705 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1789904146 GGXDWICJQJZGGU-QTMHVTGLSA-N 495.621 0.418 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)N4C)[C@H]3C2)c(C#N)c1 1789942268 NPVZNOBHKRMYRM-FIRPJDEBSA-N 454.527 0.710 30 20 JCED CC(C)CNC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327240 XXLRKCUGCKPWBC-IEZWGBDMSA-N 452.515 0.800 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCNC(=O)C4)[C@H]3C2)c(C#N)c1 1791347636 HJLSVSSRILRHQJ-USNOLKROSA-N 454.527 0.615 30 20 JCED CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1792184072 DJKVOZVKYFRAKE-LIRWBVIASA-N 452.552 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3ccc(F)cn3)CC1)C2 1792490428 UPQTTZLCBMRHPB-PVOANONBSA-N 485.560 0.885 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)c2ccccc2OC)C1 1792813797 ZEDHCQASZWHURC-KALPFLKPSA-N 496.564 0.215 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nc(C)no1)C2 1793595956 UOXAFUWPMJWTRF-RCJHGTSTSA-N 463.535 0.980 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 1794594560 VWINGSRVJCCOAY-IFSBAMAHSA-N 460.535 0.488 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cnnn2)CC1 1796297599 YMXYSNJOVUQHCS-BJWYYQGGSA-N 472.550 0.852 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796886967 YHJGGSRKOYFDSX-OYEZAESLSA-N 456.565 0.579 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1797709828 DLPKBFMPGWHUIE-GCLMUHHRSA-N 488.585 0.785 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1797713028 BGBBASYISHPYHG-LTCOOKNTSA-N 480.525 0.347 30 20 JCED COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c1OC 1797815222 LXXPITBUXOSBIA-KDPMZQQDSA-N 462.503 0.831 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cn3[nH]cnc(=O)c3c2C)c(C#N)c1 1798467825 ZTHHXVGPHBYQGA-OPMZPASUSA-N 490.520 0.657 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COC(=O)C(F)(F)F)C3)c1 1798577538 UHEQHLPEASXEAJ-XOIINTDNSA-N 455.389 0.876 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(c2ccccc2)=NN1 1800152591 VKCZTBJHJDWHNL-KOUHRCEDSA-N 452.559 0.624 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)nn1)C2 1802125549 HWPWFNITWDXEMT-RCJHGTSTSA-N 473.530 0.605 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1802125632 LDBSSSOPOCNXAX-ZMMAXQRCSA-N 478.546 0.335 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1802127478 HSQDCDDIFSXPIL-WEMPKCCASA-N 496.568 0.778 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2 1802139948 SZYMCUPAZCDILO-IFSBAMAHSA-N 450.536 0.134 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)c2cc(C)on2)[C@@H]1c1cccnc1 1803548523 LKKXGGVLRDPKMF-PLMTUMEDSA-N 453.499 0.852 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1807947109 YMUBMGXASMPWKB-PXNSSMCTSA-N 469.465 0.713 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2c2cccnc2)CC1 1809600667 URKADQCZDAHZPZ-GQLLHPOVSA-N 472.590 0.864 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2n[nH]cc2I)[C@@H]1c1cccnc1 1810820553 JSZCMNQXFGDKSF-PXAZEXFGSA-N 493.261 0.817 30 20 JCED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)cc1 1811887676 PKYLXNRTPQEGRL-QUCCMNQESA-N 457.427 0.998 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1813174352 IQQGYQLBNLGZCL-AVCGNGPHSA-N 452.515 0.484 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)CS(C)(=O)=O)[nH]n1 1814434370 SKXJDNBAFFSEAC-PLDWVVQRSA-N 451.549 0.941 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817361653 LPWVBLJSCSOSPW-RDJZCZTQSA-N 453.503 0.945 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1822922289 GWHZIUGDKQUOML-LLVKDONJSA-N 471.499 0.609 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670318 GVUCDSOENOVEDJ-VXGBXAGGSA-N 466.516 0.419 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(N)=O)CCN2C(=O)OCc1ccccc1 1829044553 HFPJZWYIYFPSRD-JPYJTQIMSA-N 455.515 0.519 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)no1)CCN2C(=O)OCc1ccccc1 1829157426 DZULFUSUIROXBQ-HSZRJFAPSA-N 482.449 0.534 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1829267419 OZYNPAFJEQXCOT-ZEQRLZLVSA-N 471.510 0.688 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1829349810 UEIMMUWXVWNYQP-MCEYFSPLSA-N 482.581 0.965 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C3)C2)C1 1829667498 ZLBUHTGYLHBKBU-HTAPYJJXSA-N 453.536 0.295 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C3)C2)C1 1829667997 FGXKNXFNZVBAJS-FDDCHVKYSA-N 467.563 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1829766424 YHWAESZGKZQPBQ-UZQCKINESA-N 453.499 0.491 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829908533 HMIUZZRNHKHKJJ-URXFXBBRSA-N 456.543 0.862 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2 1831083886 VSOPPWWNXRXLDG-NZQKXSOJSA-N 453.580 0.976 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Cl)c(CC)nn3C)C2)C1 1831386532 HMLZZWAUMMHLRP-VFNWGFHPSA-N 452.939 0.744 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cnc3cc(Br)ccc3c1=O)CCO2 1831562984 FCNIJNIMIRJICS-OAQYLSRUSA-N 489.326 0.249 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1832000525 RNAFPPQWLZLCJO-QQMNAOGKSA-N 480.562 0.048 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(F)ccc1Br)CCO2 1832301489 HTSVVLPVILZVOC-FQEVSTJZSA-N 483.290 0.675 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1832446599 CNMATUWONBYRRV-JTSKRJEESA-N 487.619 0.638 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)CC2)CC1 1833056340 LJJRMZDHNAYERQ-UXHICEINSA-N 462.591 0.809 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccc(C)n4)CCO3)C2)c1 1833086989 JGHUVMQQANOMAF-HSZRJFAPSA-N 453.499 0.842 30 20 JCED CCOC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccn1 1835677214 BSWUCWDYSYEWRM-DEOSSOPVSA-N 487.557 0.610 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1835680861 OOUOPVZOIPGVMJ-SANMLTNESA-N 499.612 0.875 30 20 JCED C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835686998 ULHTYUDLLRIAOW-WZONZLPQSA-N 458.563 0.620 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835844900 UHGZMJPBXHLMQL-DOZBRYHWSA-N 464.611 0.181 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)CCO3)C1 1836214215 YJVQRPXQESZHCI-JXQFQVJHSA-N 479.574 0.779 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1837305933 NIRCZHYDUXULEY-AOMKIAJQSA-N 478.571 0.677 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1837397255 NYPJVUAQSLUJRZ-QZTZHPFYSA-N 498.621 0.258 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)cc(C(N)=O)cc3C)CCO2)C1 1837433700 GBKZUUFPNPWGRF-KOSHJBKYSA-N 457.527 0.511 30 20 JCED Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442283 VLAGAFTYVODNRO-PDEZOQIOSA-N 450.565 0.575 30 20 JCED CC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n[nH]1 1837524187 BEWSNKSYPYOZJQ-RJGDLVSHSA-N 463.491 0.211 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)NC(=O)c2cnccn2)CCO3)c1 1837609486 TXLSCBSWFATWBT-AVRWGWEMSA-N 492.536 0.545 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838321703 YTIWDVZIKODGEY-AOMKIAJQSA-N 479.534 0.999 30 20 JCED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)n1cnnn1 1838404773 WEIVSXYBZRPPSQ-JTMQTMBGSA-N 463.539 0.762 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204025 DWQITJOMKSXTFQ-FDDCHVKYSA-N 467.563 0.522 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n1 1839225626 ORDWPVAZFRHXKY-BTYIYWSLSA-N 479.490 0.869 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)c2c1 1839488391 OXSHKTULQKHPEO-PODSUIKTSA-N 479.541 0.976 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)C2)C1 1839809853 OLRJKAVXBHTSLO-CJFMBICVSA-N 467.522 0.787 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840059952 XGGWMJOPIJAZAY-NXMSCROESA-N 492.573 0.507 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)cc1C#N 1840763168 MOSPWFNYYYSZPL-VWLOTQADSA-N 486.569 0.748 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1840820747 IBDQIVBJDLQNLK-AWUSRGSFSA-N 451.483 0.830 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1840909325 RFMMAARRAINWSW-HRAATJIYSA-N 453.511 0.862 30 20 JCED CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1840928589 KBYQHGVJDNFSBB-YZGVPZOXSA-N 466.579 0.704 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC12CN(C(=O)C(O)O)C2)Cc1ccc(C#N)cc1 1841918250 XFEMZEOJSNWVGO-GOSISDBHSA-N 472.542 0.898 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CCCC34CN(C(=O)[C@@H](C)S)C4)c2n1 1845884820 ZXIZHHLXHBAOEB-GFCCVEGCSA-N 461.548 0.648 30 20 JCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1846371203 GRGUDAXNCKIVLX-ZIAGYGMSSA-N 463.622 0.836 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 11351953 AJZKXNFOEDHWAT-UHFFFAOYSA-N 450.494 0.797 30 20 JCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 17223080 YQSTWFSDRDZCTK-UHFFFAOYSA-N 457.487 0.321 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 30916911 XPWWETKRQWGSIL-UHFFFAOYSA-N 481.556 0.630 30 20 JCED C=CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 512709539 AWTNWMOSDJFZJK-LJQANCHMSA-N 468.645 0.841 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(S(=O)(=O)N(C)C)c1 603787013 JDWOPOWZEJAXQA-UHFFFAOYSA-N 497.602 0.572 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(=O)N(C)C 604270391 OGHUDYJJDPSSRY-UHFFFAOYSA-N 495.374 0.927 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(O)c([N+](=O)[O-])c3)CC2)cc1 610506040 VWLIRKZJZMTDIU-UHFFFAOYSA-N 452.470 0.867 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)C1=O 623229447 ZRBDJUJVJNULEN-UHFFFAOYSA-N 454.530 0.175 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCN(C)c1ccccc1 726578490 CXKCZYXDFMGSQQ-UHFFFAOYSA-N 462.579 0.975 30 20 JCED CSc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCS(C)(=O)=O)c2=O)cc1 729673618 XVNVPJXVSMNSDT-UHFFFAOYSA-N 493.632 0.038 30 20 JCED Cn1c([C@@H]2CCS(=O)(=O)C2)nn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=S 732526642 OPHDYZYCEHAQLZ-MRXNPFEDSA-N 496.640 0.689 30 20 JCED Cc1cccc(C)c1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 838358343 RTVQKBMGFWFEHU-UHFFFAOYSA-N 492.605 0.201 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 916199585 IPGHYOJVTGWDDJ-UHFFFAOYSA-N 465.478 0.948 30 20 JCED Cc1cccc(N(CCC#N)C(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 919025352 TUZGMSKEAKAJKH-UHFFFAOYSA-N 466.498 0.931 30 20 JCED C=CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1I 919397035 KONRLLZJHFCWSY-UHFFFAOYSA-N 494.307 0.771 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C[C@@H]1CCCO1 920393937 BRLADGWNJKLZFD-HNNXBMFYSA-N 498.517 0.573 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286536765 SJGXCMICFKWDLR-WDEREUQCSA-N 456.388 0.420 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1518651728 SGLWEZFXBVGDAK-UHFFFAOYSA-N 465.436 0.790 30 20 JCED CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1547777158 RQCLTDLKNRFXPX-UHFFFAOYSA-N 461.548 0.625 30 20 JCED CC(C)[C@H](C#N)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 1642570855 LAIXMHJTIZWGON-IBGZPJMESA-N 451.568 0.824 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCN1CCCO 1692539009 OJYAGXUQQQMZDU-HXUWFJFHSA-N 481.605 0.856 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN(C)CC(F)(F)F 1692793664 IJEWDQQDCIZWJF-ZBFHGGJFSA-N 492.572 0.949 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1706891443 VAGLKVMIYQHOID-LPHOPBHVSA-N 487.586 0.788 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(F)c(F)c1 1761503286 ZEDOIPHHBNBOBA-GXTWGEPZSA-N 456.475 0.974 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C1 1778082553 UTGQZHMTKANZHH-IFSBAMAHSA-N 466.604 0.876 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2c(=O)n(C)c3ccccc32)C1 1778783564 DSJCEEVVRNCQNG-IOZGHAEBSA-N 468.554 0.892 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(C)(C)C 1779099890 OMEWDVWAWIVUMO-CMLOMQFCSA-N 452.552 0.896 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1779317746 GFLROHUTTMMUCJ-REWPJTCUSA-N 458.515 0.090 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779319248 OMRUNFLHOIOQTF-GLDPYIMESA-N 496.605 0.827 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1779322727 ISHVEHHLRUOTOD-YCRNBWNJSA-N 462.591 0.907 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781295471 RSRRHLMPRDKXOW-IIBYNOLFSA-N 463.539 0.363 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)ccc1F 1781302177 ITXPMXWZEOZYFA-OAQYLSRUSA-N 476.555 0.930 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1781802811 CGSZVYMDGGTLJC-FOIQADDNSA-N 454.474 0.983 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CN(CCO)CCO)CCO3)C2)ccc1Br 1781906341 WCZKEEBOOULSAW-OAQYLSRUSA-N 495.374 0.051 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1781960012 CQJRSKZOGHMJGR-HSZRJFAPSA-N 451.458 0.966 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1782015341 LYLQIGUGTHXIKV-OKHDYOJBSA-N 469.538 0.224 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4nc(C)sc4n3)C[C@@H]21 1783529223 HQIBDACXNYBELN-GFXHUTCISA-N 472.571 0.480 30 20 JCED CC(C)(C)OC(=O)N1CCc2onc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)c2C1 1783565659 WSOWBHWYBVEANU-QHCPKHFHSA-N 488.497 0.499 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783600852 AMBPAESYNYENEK-TUFLPTIASA-N 486.569 0.966 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1785571460 BPMFFXJPWVIMFI-IVZQSRNASA-N 461.519 0.486 30 20 JCED Cn1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)cccc1=O 1785872924 BFSUWUFGUOYUMK-WFXMLNOXSA-N 450.495 0.929 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1786576720 QIKQVYGETYJVKX-GMOHSKTFSA-N 476.574 0.714 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1789912023 HMGKOHVTPINTAG-BURNTYAHSA-N 486.569 0.925 30 20 JCED CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21)C(=O)C(=O)O 1790634922 TXYSYDWSJRSXRT-FHWLQOOXSA-N 456.499 0.014 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@H]4NC(=O)NC4=O)C[C@@H]32)c1 1791986022 NVSGHQWSJIGNKM-FLTXXLLZSA-N 453.499 0.505 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1792257600 GSPKTFUYMHYJGZ-OKYOBFRVSA-N 492.573 0.725 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]3C[C@@H]3N1C(=O)OC(C)(C)C)C2 1792484859 YITOCONHOZLSFJ-UJIPNYDYSA-N 488.585 0.832 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792560123 BXUHXFHONJJLSF-XAPVIXHLSA-N 486.569 0.966 30 20 JCED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795968931 XAZAIVDJSXQXRK-CWPLJXCYSA-N 453.503 0.073 30 20 JCED CCn1c(-n2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)cc2C)cccc1=O 1796390590 FARQUGRKSYETNO-BJWYYQGGSA-N 451.483 0.702 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)C1 1797120483 FZSNJOOSCFGFFB-CWQOZTLDSA-N 462.547 0.498 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1797816443 KJDKSAQUZONJDC-SWIJCCBZSA-N 469.542 0.871 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCCS2(=O)=O)c(O)n1 1800389414 SWQUOGCTBQAVTC-WTLGNFPFSA-N 463.556 0.686 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2)C(C)(C)S 1800906896 LHYFKINYDINYBL-BDLOOMQFSA-N 484.619 0.314 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800988187 LXNCBNDRUOKCTI-LFYQSXPISA-N 473.592 0.741 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCOCCOCCOC 1802103026 SKKPLOMKILRJKZ-IYWMVGAKSA-N 456.580 0.894 30 20 JCED NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1807189937 HCTZYXYYPPOMKB-JNWQLDFESA-N 460.535 0.209 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2c2cccnc2)c1 1807358192 YJEREWPJKLWOMD-BEFAXECRSA-N 457.454 0.646 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1808412437 HIFYNMVQRUJBQM-SBSGUARVSA-N 490.630 0.985 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1810248970 RFFWPWCHJSBHEW-ZVZYQTTQSA-N 466.502 0.100 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)[C@@H](O)N4CCOCC4)[C@H]3c3cccnc3)c2c1 1812070501 JTPYDZXOMQQWBP-JKFKMHIGSA-N 489.536 0.800 30 20 JCED CCS(=O)(=O)CC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828802954 CUQGWRDOIWUTFI-QFIPXVFZSA-N 476.555 0.787 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1828923221 XZUCIDOSPSPUFA-NTKDMRAZSA-N 484.557 0.335 30 20 JCED NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1828963621 FXHJVLFUOACQDC-QDPOXKPESA-N 487.557 0.926 30 20 JCED NC(=O)[C@@H](N)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828990281 NBUYENVZKFVKFN-HFZDXXHNSA-N 495.580 0.445 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(C)=O)CCN2C(=O)OCc1ccccc1 1829303636 LIQOGRKVEDSWRB-DEOSSOPVSA-N 454.527 0.988 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)no1 1829628156 LLEAZNVXWQJAKX-HSZRJFAPSA-N 453.499 0.881 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)n1ccnn1 1829635751 NDBZIEKKVXTIAZ-MBSDFSHPSA-N 452.515 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3nccs3)C2)C1 1829766360 UYRXDVGIAGQWNE-CCJJIYKDSA-N 463.560 0.258 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C(OC)OC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1831041283 UBLQYIZYDBWIOG-SBUREZEXSA-N 483.562 0.627 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1831396244 IELBOVJSIXTQOJ-KOSHJBKYSA-N 457.527 0.511 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CC(N)=O)CCO3)c(C#N)c1 1831608328 CVYQXUDTHXNIAM-HJPURHCSSA-N 458.515 0.077 30 20 JCED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)no1 1832926898 OTJBWIAHHVZCRX-FNEOHHHZSA-N 460.512 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccccc3C(N)=O)CC2)CC1 1833075339 LXWVXEAULICKMZ-FPLPWBNLSA-N 467.570 0.829 30 20 JCED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1833490376 LAUUAKXEKBMFFR-SFHVURJKSA-N 461.592 0.557 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834599089 PFASZVZTMFHRSS-MHECFPHRSA-N 489.525 0.626 30 20 JCED O=C(CCN1CCOCC1)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834637219 HUFAVTRULPLXJP-UAGSDZEYSA-N 479.622 0.809 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349546 JMBJUQKVHPBWIB-HYBUGGRVSA-N 472.517 0.633 30 20 JCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cc5n(n4)CCCNC5=O)CC3)CC2)CCC1 1835515743 MCDNAUZHIPKLQB-UHFFFAOYSA-N 467.574 0.896 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1835677967 RVDYMCVDCDVIEW-VWLOTQADSA-N 488.585 0.800 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835714087 WRTWVVFRJYBROB-VQTJNVASSA-N 452.596 0.282 30 20 JCED Nc1n[nH]c(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)n1 1837268717 NKHNRWPKRHJMTE-JOCHJYFZSA-N 472.933 0.481 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1837394469 BHVVQCUTCUNNPI-GCJKJVERSA-N 481.571 0.128 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2)C1 1837499993 VCKOSUGXHGYQKU-ZRCGQRJVSA-N 466.531 0.706 30 20 JCED COc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cc1C 1837527696 SZRABNKGCFGRNJ-SJAQWOJPSA-N 476.530 0.998 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1837529762 YBCFKAYWABYSNP-MYRHLRDYSA-N 477.543 0.995 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1837530529 NNAFMWIQKIMDBY-GEEYGDQWSA-N 467.519 0.315 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1837531217 ZRJRLIAKLVFBCI-FPHRNUPISA-N 471.514 0.933 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837770291 YOOIJYBUTCYQEF-JOCHJYFZSA-N 481.500 0.595 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc(O)[nH]4)CCO3)C2)c(O)n1 1838063568 ONEHMYPAZXSXRR-QFIPXVFZSA-N 457.487 0.718 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)c1 1838584125 QUUYAFGCIKRUMA-NRFANRHFSA-N 472.527 0.547 30 20 JCED COCCOCCOCCOCCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838651716 LNIALEVYZILTHE-UHFFFAOYSA-N 498.573 0.159 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(C(=O)OCC)c3)CCO2)C1 1838719405 UFJHPPJXRZRICU-HXOBKFHXSA-N 459.499 0.367 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C3)C2)c1 1838737913 FPFGRNLHNPTWRJ-QHCPKHFHSA-N 493.480 0.262 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)no1 1838906761 DLTRMAGVLLOKER-HSZRJFAPSA-N 467.482 0.954 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1839185148 PBVGYJQINXLRLW-ZHRRBRCNSA-N 499.634 0.929 30 20 JCED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186732 LSCWWQOOVXXQLA-QHCPKHFHSA-N 460.506 0.565 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1839227387 DQKLXZDHSWLSSC-FDDCHVKYSA-N 476.578 0.590 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC[C@@H](N)C(N)=O)C3)C2)cc(C(F)(F)F)c1 1839443262 WBWFQNZKKGZXCG-UTKZUKDTSA-N 497.474 0.240 30 20 JCED COCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488349 MSVLHFFTIZMAQV-QHCPKHFHSA-N 480.481 0.953 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)ccc1F 1839670111 QWCDTCIMABLUKJ-HSZRJFAPSA-N 485.472 0.271 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CN(C(=O)OCc3ccccc3)C1)CCO2 1839803934 FADQDUBCGKURSU-HSZRJFAPSA-N 456.499 0.625 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cccc(O)c1)CCO2 1839923416 DUNKMOMRKJZNCV-UCCLIFSUSA-N 455.511 0.720 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1840714803 HUXJRIHDFKIQCL-ZDWFVDTJSA-N 474.514 0.448 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1840906577 FWGRPGAPNAAPFT-OSPHWJPCSA-N 489.525 0.835 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 1841604471 XYEINZQYQVHCEG-RPPIVITFSA-N 488.585 0.601 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841892271 QFTVTTWABPIXQR-INIZCTEOSA-N 475.546 0.438 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1 1846211617 FHXDDXTXMWOJHE-CVEARBPZSA-N 451.520 0.685 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1847443547 RICNNAGDGTWLTI-RNXATQDWSA-N 469.604 0.888 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 9789489 AMLAJNFSNJRFTM-QGZVFWFLSA-N 451.501 0.987 30 20 JCED Cn1c(CCC(=O)OCC(=O)NCCC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 10265308 ZCWKPNBSVQMNIY-UHFFFAOYSA-N 463.516 0.100 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 10792194 XMNOLTCUJSUQQY-UHFFFAOYSA-N 453.498 0.594 30 20 JCED CC(C)Cn1c(N)c(C(=O)CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(=O)n(C)c1=O 23186635 OGVRNUSNTLYTAK-UHFFFAOYSA-N 481.513 0.910 30 20 JCED COc1ccnc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)c1 517132905 BKOYPMKKTYKDCD-UHFFFAOYSA-N 484.582 0.617 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1cnn(CC)c1 523864000 GVFXSPSRHUOCAW-UHFFFAOYSA-N 465.535 0.916 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCNS(C)(=O)=O 524281992 KSJBQOYLRNMFQQ-UHFFFAOYSA-N 484.962 0.057 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434363 GSVPZEXPLFGBNA-UHFFFAOYSA-N 474.495 0.265 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(=O)N(C)C 604472831 BTQAHLSNWUFMCS-UHFFFAOYSA-N 472.567 0.051 30 20 JCED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(OC)nc3)c2=O)oc1C 608883906 MTIZCQQEEYBVBF-UHFFFAOYSA-N 480.502 0.772 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C[C@@H]3CCCO3)CC2)CC1 608923387 CSFGHOWKMURAQO-FQEVSTJZSA-N 461.588 0.188 30 20 JCED Cn1c(=O)c2cc(C(=O)OCC(=O)Nc3c(C#N)cnn3-c3ccccc3)n(C)c2n(C)c1=O 727003117 ZYXMBCSGQYDPPS-UHFFFAOYSA-N 461.438 0.429 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)ccc1F 728888841 HDWVSYGVXLAANW-MRXNPFEDSA-N 470.567 0.589 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1 749172099 MUDUBVJJQPMOLU-MFKUBSTISA-N 473.515 0.746 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 843759704 UWWQMIROCKQWAK-QGZVFWFLSA-N 477.587 0.479 30 20 JCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914652067 TYPFPAMLHMBAEJ-AEFFLSMTSA-N 477.539 0.911 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1316359978 NQBANIXPLADZCJ-SFHVURJKSA-N 456.532 0.468 30 20 JCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359082922 XUFMBJJKORQNOJ-HNNXBMFYSA-N 466.384 0.882 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539776336 YMWFEDNCQPLXPZ-HNNXBMFYSA-N 462.020 0.631 30 20 JCED C[C@@H]1CN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCCO1 1726736346 NLNGAGFQZTWGSH-OPYAIIAOSA-N 499.613 0.554 30 20 JCED CN(CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)CC(F)(F)F 1767327688 NVGAFSLVPQBWMC-RHSMWYFYSA-N 497.519 0.937 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1778082873 YVCDYLSTJYYUDV-IMWIBFENSA-N 461.559 0.848 30 20 JCED O=C1CCc2ccc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)nc2N1 1779104089 FUNCCVMORRPSGX-QWPYIFRSSA-N 471.514 0.939 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781201952 PBMJYVJMTATADP-HXOBKFHXSA-N 469.579 0.931 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(N)=O)C1 1781771761 IPKSMZJHFNONNK-SEPYTNNBSA-N 464.563 0.682 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F)CCO2 1783565245 ILJNCUQULKIHGL-OAQYLSRUSA-N 481.427 0.495 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784262772 KHIUQJBYMHJFNH-BTYIYWSLSA-N 452.508 0.089 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1784309842 BTSBJCJGNBZECS-WVMBUTMQSA-N 489.573 0.714 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786262037 SFSNLIUGKBAPSI-FIKGOQFSSA-N 478.509 0.170 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368723 NZQRLMVAWQYNJX-VMDVDIMUSA-N 450.536 0.640 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368845 QQCMVDLTFXVSQM-XSLAGTTESA-N 493.561 0.685 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)N1CCN(C)CC1 1789799892 NVHNQPSJRGEITA-AGZACMDMSA-N 465.595 0.131 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791333373 QCWXKZLMVOVZFN-RVPHFEHCSA-N 457.593 0.656 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C)cn3)C[C@@H]21 1792261778 QBVDBJLJCKKTSU-DWRORGKVSA-N 459.547 0.930 30 20 JCED CC1(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CN(C(=O)OC(C)(C)C)C1 1792336136 OAVGNVYZHLYQMG-ULQDDVLXSA-N 463.531 0.701 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c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c1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cc1 1797811879 SXLBGVIOOSCENO-SJLJXFQCSA-N 493.582 0.887 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2)c1ccccc1 1797877156 LARMOPYUGJPARO-AIYVTKCESA-N 457.527 0.838 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(O)cc(O)cc1O 1799658585 HPYMNYJJIKMSCI-FKEXNYPISA-N 489.525 0.923 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799749948 RFJMRFIEGFNMAS-LJGDNWOOSA-N 468.963 0.743 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1799877114 FEZJRRRSJKMARS-ZSBFGKGUSA-N 469.502 0.956 30 20 JCED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)C2)C(=O)C(=O)O 1800261231 JBZAVPPWAZTARR-ACHVPNTGSA-N 489.528 0.833 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C#CC(=O)O)C2 1800778944 WYBKVBZSFQEPCD-ZYABLZSBSA-N 461.515 0.452 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cscn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801244846 NRZIYVIVKFSITL-QHHYFVSCSA-N 492.554 0.257 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 1802025240 UZEAFCSYPLUHKG-LANYJBNVSA-N 499.564 0.386 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2 1802126627 LEORAECZKBWLAW-ZMMAXQRCSA-N 482.541 0.849 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2C[C@@H]2N1C(=O)OC(C)(C)C 1802134661 XJNWWDWTAVTSCE-HSAWZMRYSA-N 488.585 0.832 30 20 JCED COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cc1 1802231230 ZBBRBXUBDXHEEA-QIBIHATKSA-N 472.542 0.913 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3c3cccnc3)c2c1 1804349760 WPRZZAUZWISFSH-FYINFDKHSA-N 486.492 0.747 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1810489781 OACYIFKYPPGXOM-LAUBAEHRSA-N 451.483 0.476 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)CN(CCO)CCO)[C@H]3c3cccnc3)c2c1 1812071127 FHMROCOUBANHIG-DVECYGJZSA-N 491.552 0.436 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812873782 OVCOZISYEBSLSV-MBOZVWFJSA-N 474.514 0.451 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=N)N)C2)C1 1828923093 PLFMHWIVTCUJOP-JOCHJYFZSA-N 455.519 0.225 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=N)N)CCN2C(=O)OCc1ccccc1 1828973830 JWKDJCXMBYDMKF-HSZRJFAPSA-N 454.531 0.335 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCN2C(=O)OCc2ccccc2)C1 1829014284 UDGXJBTXOHJKNQ-HSZRJFAPSA-N 480.529 0.675 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829121242 NMWOIAKJZZXPKU-BVZFJXPGSA-N 495.536 0.353 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)CCN2C(=O)OCc1ccccc1 1829475667 GFWYPDUFVDODEV-XMMPIXPASA-N 469.542 0.910 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1829770477 SQLQOSKBLFHNQD-WNWNSBFKSA-N 480.525 0.400 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1830573733 NWYOXFVMKZBEEI-AOMKIAJQSA-N 466.535 0.022 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)C2)C1 1831398451 BOJUMCNTPGADDL-UZUQRXQVSA-N 474.514 0.769 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1831427242 QQKXDKYWWSCHDW-XDHUDOTRSA-N 470.526 0.595 30 20 JCED Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CCC5)C4)C3)nc2s1 1832110788 ZWWRKBPLODALEZ-NRFANRHFSA-N 458.544 0.792 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO3)c1 1832160139 ADQOPFNUQRNSQU-UXHICEINSA-N 471.432 0.950 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCN(C)C(C)=O)CCO3)C2)c(C#N)c1 1832293830 RHKYXNIOKAYIQR-XMMPIXPASA-N 472.542 0.434 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2ccc(C)n2)CCO3)c(C#N)c1 1833091862 PPJBIRNAOFKFTC-DEOSSOPVSA-N 467.526 0.771 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834608290 HEWQRVNJEXOEKX-UUOWRZLLSA-N 489.525 0.626 30 20 JCED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834912529 PFZLCIADXZUZPB-IBGZPJMESA-N 483.660 0.978 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1835240240 WSINOYVPAXCSKI-WZONZLPQSA-N 485.578 0.575 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)=NO2)C1 1835362087 CYZUVJPAQMPVGM-QHCPKHFHSA-N 491.545 0.512 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOCC1)CCO2)c1cccs1 1835395140 DYMXFGQBRDDSDD-LFTXJPJQSA-N 463.556 0.276 30 20 JCED CCc1nn(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1Cl 1835672573 DZKGVYJAWGQFGC-QFIPXVFZSA-N 480.997 0.988 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1835677170 KMSUDRDADCSPNG-HSZRJFAPSA-N 454.531 0.686 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 1835714098 IELVHIYYSKKXCO-NRFANRHFSA-N 471.602 0.956 30 20 JCED Nc1n[nH]c(CCC(=O)N2CCC(N3CCC(NC(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)n1 1835768923 GZUWVEBZYIDTSD-SGSZHJQISA-N 476.582 0.420 30 20 JCED CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835780216 UCWMHUPMYGZCPL-BUVRLJJBSA-N 462.620 0.754 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3nc(O)n4c3CCCC4)CC2)CC1 1835852487 ATSBYTXDRTXRLV-SREVYHEPSA-N 484.601 0.969 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836161471 IXFOFRLQBALRIB-NLFFAJNJSA-N 486.569 0.997 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cccc(N4CCOCC4)c3)CC2)CC1 1836449427 QOOHNMZBHDTXQM-UHFFFAOYSA-N 468.554 0.796 30 20 JCED C[C@@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(F)(F)F 1837440796 YPYNIDUHQKMHCX-BSHIWLPJSA-N 450.458 0.228 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1837443569 GFEKNUPULJGAAQ-GVFUYMABSA-N 458.563 0.761 30 20 JCED NC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1 1837447781 SGWRLMXRDFFHQM-RWOVVYLESA-N 457.531 0.327 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837480511 RTNKVVASRIKDJJ-VGSWGCGISA-N 459.551 0.015 30 20 JCED Cc1nnc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)s1 1837488797 RXUKZNORVYLJDZ-HSZRJFAPSA-N 476.599 0.934 30 20 JCED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837526749 VHKYBCIBDXCHDG-VFJYRVFXSA-N 463.535 0.636 30 20 JCED Cn1cc(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837527901 ZUHNCCRVSIIEPY-UEVPCVAJSA-N 463.535 0.338 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1837531753 VYZUGLNXGYENJZ-SYGXVLRESA-N 498.540 0.866 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1837533291 NPTLYAKADQJTDP-ZQNDXDLHSA-N 475.546 0.500 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2)C(F)(F)F 1837658822 AMRGDUDDZIXNBW-HXUWFJFHSA-N 472.464 0.862 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838509886 YNROFUQXOKRLBM-OVRHDEQLSA-N 473.559 0.628 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)cc2NC1=O 1838588356 RPTMYDPMJLMSOG-IQMFZBJNSA-N 454.483 0.780 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nc1 1838731967 DLGXYAJULXTBNX-OAQYLSRUSA-N 473.511 0.069 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839240786 VDQDYGYTPGQLKK-FKTOORKZSA-N 463.535 0.554 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839380914 VCCWJHNTYWQJNI-XNTKYKATSA-N 498.540 0.866 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839385665 DMBUBENGGOHREL-YKSBVNFPSA-N 473.526 0.338 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839517913 FQVGPDMPTGZLEJ-XMMPIXPASA-N 472.542 0.434 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1839590465 PAJZMNSPIHROAK-UZQCKINESA-N 471.489 0.402 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccnn1 1839710034 BAWGSKRUEVDPSX-OYHNWAKOSA-N 464.486 0.357 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CSc5nc[nH]n5)CCO4)C3)c2c1 1840381127 CLTPGGHCNGPVFK-OAQYLSRUSA-N 482.526 0.415 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn2[nH]cnc(=O)c12 1840814386 GLFPUDQQBXAAIO-QFIPXVFZSA-N 454.487 0.095 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1840845068 DSBVFXSIRNSFQS-MCEYFSPLSA-N 499.564 0.628 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840906421 BHNLRCRNZRTWSY-DVECYGJZSA-N 459.543 0.773 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840909108 MYGMZAZNMMBKFS-MHECFPHRSA-N 485.541 0.873 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)CCO2 1840955410 OBKNBAMBSXANSJ-FUMRIQNTSA-N 492.573 0.359 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C2CN(C(=O)c3ccccc3OC)C2)C1 1841247664 VXOKGJCOSVDSGL-KTKRTIGZSA-N 466.538 0.829 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CN2CC(=O)NC2=O)C3)N(C(=O)OC(C)(C)C)C1 1846448921 SESWIRBPMSNJCL-HNNXBMFYSA-N 461.519 0.307 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2c(C(=O)OCC)ncn2C1 1847262157 OJWQYWOOPVMSLC-SZXSIIMHSA-N 469.542 0.682 30 20 JCED CCS(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 18039215 VEIJRXHMMWRMKV-UHFFFAOYSA-N 454.574 0.453 30 20 JCED N#Cc1cccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 26337691 WIEYQZKHBRVEJL-UHFFFAOYSA-N 477.568 0.541 30 20 JCED N#Cc1c(CCCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)nn(-c2ccccc2)c1N 33023899 CKGQJXQVYIMDCD-WBVHZDCISA-N 470.555 0.411 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)cc1 506381865 OHYQIOLKCHBXRK-OAQYLSRUSA-N 482.628 0.756 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 515923314 FOMHWLSQMIHXIA-UHFFFAOYSA-N 463.581 0.379 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 517113721 XOCSMAJTXBUFIY-UHFFFAOYSA-N 486.554 0.274 30 20 JCED N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(N)=O 521663606 BOUIRIPBGJWWPR-UHFFFAOYSA-N 498.467 0.586 30 20 JCED COc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cn1 552734764 RMKBBZCFOKXUAI-GOSISDBHSA-N 455.496 0.600 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C1CC1 590998806 YGVCCRSMFRHSIG-CYBMUJFWSA-N 473.551 0.925 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592994043 WVRSFKLPSNZVNG-UHFFFAOYSA-N 470.530 0.695 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604118283 AEGIQLLYEBYONR-UHFFFAOYSA-N 477.633 0.848 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(OC)ccc1OC 608826766 MQMOGDNIXMABFX-CQSZACIVSA-N 483.550 0.304 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccnc3ccccc23)c1=O 609431285 LROUUCZGMHNVOQ-UHFFFAOYSA-N 475.574 0.595 30 20 JCED C=C(Br)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 728405328 VYXARVORIROMLC-UHFFFAOYSA-N 459.366 0.976 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1CCOC 731233304 WLAQHGBJLVAEJB-UHFFFAOYSA-N 467.551 0.067 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 743093789 BESYGCCGZXEQSS-OAHLLOKOSA-N 480.543 0.848 30 20 JCED N#Cc1ccc(NC(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1Cl 753640795 PYUARUMDGPEMIS-CYBMUJFWSA-N 452.876 0.859 30 20 JCED CNS(=O)(=O)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)s1 908182754 RVWONRGVRPJOBU-UHFFFAOYSA-N 456.571 0.791 30 20 JCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccccc2I)c1=O 917353058 GXGYASOGHZPEAB-UHFFFAOYSA-N 451.289 0.949 30 20 JCED CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 918819321 PTHUQZOUWVXQNJ-OAHLLOKOSA-N 450.517 0.176 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920417161 YSTWGPIDNBABGM-KGLIPLIRSA-N 468.488 0.939 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 920974017 LZLOTKPVRQRNDO-UHFFFAOYSA-N 454.524 0.535 30 20 JCED COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)c1 1184910587 XIIWFAIRGVHIDR-GFCCVEGCSA-N 450.564 0.177 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCCC1 1288864813 ZBPPICXGOLONSR-SJLPKXTDSA-N 450.613 0.551 30 20 JCED N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1302983422 YYXDCTIFLGQTJI-HXUWFJFHSA-N 461.523 0.733 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1=O 1316125331 JNEOODQBQFOHCR-GOSISDBHSA-N 453.547 0.832 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CC(=O)NCC(F)F)cc1 1316533515 SPVRBKGSSXNHMN-HNNXBMFYSA-N 459.457 0.921 30 20 JCED CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cn1 1326932258 UZHJOOBZEVVTMS-ZIAGYGMSSA-N 463.545 0.840 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1519165174 NRTAYOAAEKOWBG-IRXDYDNUSA-N 456.569 0.547 30 20 JCED N#C[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NCC(F)F)CCO1 1555993391 NTYDMBZNFSHEDC-OAHLLOKOSA-N 461.477 0.562 30 20 JCED CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1=O 1615828078 LQVHKAJXCRBOLI-UHFFFAOYSA-N 457.560 0.911 30 20 JCED CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1679425264 RLRPYLKVYATDEJ-SJLPKXTDSA-N 454.574 0.930 30 20 JCED CO[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1697650255 MNVBULKBHNYXCI-YKTARERQSA-N 456.544 0.868 30 20 JCED CN(C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1711011210 UUPKQUUYVAOTPW-BEFAXECRSA-N 457.576 0.641 30 20 JCED CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1711422539 LBESDEKCNQXRMA-QGZVFWFLSA-N 460.564 0.662 30 20 JCED CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1767850937 LNBLNRZUGJZGIC-IBGZPJMESA-N 460.495 0.183 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1769820226 VLUYGCQVOPQYBZ-SIKLNZKXSA-N 475.571 0.856 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778116836 HOQJYXPEGVDSOM-UWJYYQICSA-N 457.593 0.061 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(O)cc1 1778360949 CAUHMCWTISMXIU-RDPSFJRHSA-N 487.509 0.876 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778834625 QDJIMTMBVCAKDZ-KKLRGSPBSA-N 474.558 0.568 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1779076625 OOXLXQUCBOYKMU-OFNKIYASSA-N 473.482 0.262 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1781392612 CNJWXEMVYDAYSB-WHSLLNHNSA-N 456.540 0.503 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(OC3CCOCC3)n1)C2 1782013492 NRJPOUGIRBLOHB-NTKDMRAZSA-N 471.510 0.855 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cccnc5C(N)=O)CCO4)C3)c2c1 1782192830 WNSYPUYZSDJGEY-HSZRJFAPSA-N 459.466 0.686 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782809000 ODEQXQSPDOCYJB-FGJSELGCSA-N 455.555 0.490 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c(C(F)(F)F)n1 1782956901 IFJOSFCURHMTLX-DNVCBOLYSA-N 486.472 0.993 30 20 JCED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1783172546 YKWMFUACCUDDDE-YGKZAACZSA-N 464.563 0.682 30 20 JCED Cc1cccc(C)c1N1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1=O 1783556601 AOELGVXWXWILJT-MHECFPHRSA-N 453.495 0.574 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(Br)cc13)CCO2 1783563086 WBOBOHVHGKAWMD-IBGZPJMESA-N 461.272 0.857 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784500259 LHUGNSNVAJSCIV-ATIWLJMLSA-N 455.552 0.443 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785786497 KEOSILJMJMSGFJ-BJLQDIEVSA-N 453.543 0.415 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1)c1ccc(O)cc1 1786891454 DZSWEMNPEQDQCG-FQFSJJOFSA-N 470.570 0.462 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(F)cn4n3)C[C@@H]21 1788603530 KQZLBNBVUKEMSI-QEPNCWKMSA-N 457.510 0.933 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN(CCO)CCO)C[C@@H]32)c1Cl 1789271329 NTICNLOMRCPQIV-WDSOQIARSA-N 464.950 0.092 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789708869 IOQUWGFGKFLQIP-LAQRGFTBSA-N 462.572 0.462 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1)NC(=O)OC(C)(C)C 1790862132 UJSZBBMEONFHFJ-VMXHOPILSA-N 478.590 0.962 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1792258195 XMYIKQVLRKQJNE-XSLAGTTESA-N 497.556 0.634 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1792258362 BCQSMPXRZFQRIR-NXOAAHMSSA-N 492.602 0.793 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792583210 LUJYUBBDGHTSJZ-JNIAIEOXSA-N 478.590 0.962 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1793354417 VEZHFFTVKZEZML-OYSTVDSJSA-N 467.563 0.803 30 20 JCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cccnc2)c1 1793956039 BGFOVYVLGQPIOA-RUMRUAAYSA-N 461.522 0.905 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@H]2NC(=O)NC2=O)N(C(=O)OC(C)(C)C)C1 1794213107 XINTZSBEGYBRDN-JJTUDDRGSA-N 475.546 0.788 30 20 JCED Cc1cc(Br)c(N)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1795498950 SDWBRFPVTZSNMT-KSPBDQMDSA-N 450.289 0.631 30 20 JCED CC(C)n1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cc1C(=O)O 1797808939 RZIJHOIMPGLSKS-PDJFEZEYSA-N 477.518 0.894 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2 1799334450 BUBJRAIPLMWOEG-JDNQWYDXSA-N 486.569 0.972 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1810330806 GHPYAJROCZGZBC-NQIIRXRSSA-N 470.526 0.329 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1814034984 BECMNVHYYHDHPM-NOABYQSRSA-N 480.525 0.217 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCN2CCN(C)CC2)[nH]n1 1814436378 RTFJZLQGSGRGCG-QULHZPMSSA-N 457.579 0.898 30 20 JCED CN(C)C(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819900133 DNQOJNHTRPDCPF-YQFNBRROSA-N 452.537 0.855 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc[nH]n1)CCN2C(=O)OCc1ccccc1 1828602844 CVRYQPXURCPZJB-QHCPKHFHSA-N 465.466 0.563 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCOC3=O)C2)C1 1828802935 BYJMQECNUUDIGH-HSZRJFAPSA-N 469.498 0.804 30 20 JCED COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)CC1 1829333666 CKTPGMODIMQDAL-XMMPIXPASA-N 497.504 0.480 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(Cl)ccc3F)C2)C1 1829764228 ICLNXKOFZZYNST-QEVIJRNUSA-N 466.897 0.803 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1 1830460220 FSBNAAGYTLNSRZ-HSZRJFAPSA-N 467.482 0.462 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1830466557 FMFKRHMMYDRZKV-QHCPKHFHSA-N 496.911 0.193 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](O)CC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1830529023 FPHXAJDCLYNRFG-BSRJHKFKSA-N 467.563 0.779 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1830641056 NSXXVDPMCNZOTO-HSZRJFAPSA-N 460.531 0.938 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831215362 JNJIWBCTHDKEIU-JPYJTQIMSA-N 465.547 0.396 30 20 JCED COCCOCCOCCOCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831673743 XSDSZAIKCZYPDJ-NRFANRHFSA-N 482.574 0.780 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832201911 PLLXLBXLOHJFGE-VWLOTQADSA-N 459.506 0.939 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1)c1ccccc1 1832329362 QZEYPNRYDHCQFW-NLFFAJNJSA-N 482.537 0.192 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2)c1cccs1 1832797386 DSSYIJXMFYKNRL-YEFOHOTDSA-N 489.510 0.748 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833075074 NIHPYEYSMOKWKJ-JXTHABPFSA-N 475.590 0.945 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833481385 LAQZTLVCFFAAHB-QGZVFWFLSA-N 469.652 0.521 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833611322 ZKGVWXXNZRGBJO-IERDGZPVSA-N 494.589 0.574 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)CN4CC(=O)NC4=O)CC3)CC2)c1Cl 1833711887 GQQUNQSCWPWIRP-UHFFFAOYSA-N 486.960 0.949 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)CCO3)C2)CCC1 1833725749 PEEQJBDZUISUCY-RUZDIDTESA-N 496.568 0.172 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1835677222 BUPFRBRHQFUJKH-JOCHJYFZSA-N 455.519 0.310 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1835717860 PPMAOVAUCQEMOH-GOSISDBHSA-N 461.563 0.706 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)n(-c2cccc(=O)n2C)n1 1836259879 OKODQKDITKHIDI-RUZDIDTESA-N 479.537 0.363 30 20 JCED CCOc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cnc2c1cnn2C 1836378284 FHJRMOGBENSNFE-XMMPIXPASA-N 493.524 0.951 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836394073 BJAYLYDXKSKDGJ-YVABFXQFSA-N 452.471 0.511 30 20 JCED O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)CCN1 1836520896 WGOBJEGAQIENMJ-QNRRKLAXSA-N 461.540 0.470 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837079725 YFOWNLWQLQUIST-SFHVURJKSA-N 486.635 0.516 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c1 1837116755 PKWREZCZFQXEBL-HXUWFJFHSA-N 483.525 0.777 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1837440826 AANJPUDHERCUHS-NVAXRVGSSA-N 450.927 0.672 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1837469046 HFJMEMWWLNOJKI-SBUREZEXSA-N 473.599 0.868 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837491267 XHIASJUKXNBLDV-QHCPKHFHSA-N 485.566 0.855 30 20 JCED O=C(C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1ccccc1 1837527541 PKDISQBSEUGJQE-YRWBNLPSSA-N 459.499 0.855 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1)c1ccccc1 1837614596 RRXRRCTWERDASB-REWPJTCUSA-N 452.515 0.327 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(C(F)(F)F)cc1Cl)CCO2 1838170589 QMQFOIOGKSUJKY-SFHVURJKSA-N 475.807 0.912 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)c1 1838582319 KGCCHFLRKPINQK-HXUWFJFHSA-N 485.415 0.742 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nn(C)c(C)c1Br)CCO2 1838770670 TYYIILLAWRYTLE-IBGZPJMESA-N 453.337 0.974 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)cc1 1838951531 UQGXWIPLZJODPD-QHCPKHFHSA-N 451.483 0.921 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1839173192 DPZFWUMIBAMIIG-RDPSFJRHSA-N 474.510 0.792 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839185836 NLZCKJXAEOQGEG-JPYJTQIMSA-N 492.577 0.594 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187286 UAVBIXGKJIYCQK-MWTRTKDXSA-N 460.506 0.563 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1839226460 PMXZLKNMXNYZCC-CROMWVBPSA-N 464.563 0.645 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839414627 RZTFZVKTRJZJBC-QFIPXVFZSA-N 477.470 0.880 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)c1 1839422062 AHYUMFOTURBBCX-HXUWFJFHSA-N 460.491 0.678 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839435402 WKIKIKMXWQPJDN-JPYJTQIMSA-N 453.499 0.376 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)[C@@H]4SC(=N)NC4=O)C3)C2)c1 1839452360 YAJDWQJEOWFXHZ-TWWFPWMWSA-N 485.566 0.739 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnc(OCF)cn5)C4)C3)c2c1 1839487666 RQHXIVOCFYAYMM-QHCPKHFHSA-N 495.471 0.914 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnc(O)nc5O)C4)C3)c2c1 1839487905 LLEHKBLFPDRWTK-QFIPXVFZSA-N 479.453 0.020 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839717819 RJWRYPPWVDZGET-HXUWFJFHSA-N 466.516 0.132 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C2)C1 1839808238 VMXSFVKHLPHCRB-MZNJEOGPSA-N 495.573 0.701 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nc1Br 1840043379 UUMOIHSWXDQENG-LJQANCHMSA-N 482.287 0.011 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cnccn1)CCO2 1840486780 WZEQMMYNNXEMQH-MCCBOCGNSA-N 454.527 0.645 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1 1840712478 LDZFMALIHPDIMI-GAJHUEQPSA-N 456.499 0.836 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1840795608 SFOWKYYENQLNKM-LLJLJFOGSA-N 494.589 0.438 30 20 JCED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c2c1CCC2 1840819303 BVLNVKQSYZJRTO-RUZDIDTESA-N 479.537 0.929 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840844481 YJYUULHSZHGXNM-CLOONOSVSA-N 491.585 0.882 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/OCC)C2)C1 1840908194 CUTYZQDEXDJOGF-XVYIGEKPSA-N 465.547 0.910 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1840909184 NYTUMTPNBKYQNO-OYHNWAKOSA-N 493.586 0.712 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1841055226 HWUPMWYCPVKCDD-FPLPWBNLSA-N 450.536 0.590 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)CC[C@@H](N)C(N)=O)C2)CC1 1842946363 CTPQAMLZVSKLDS-MRXNPFEDSA-N 476.578 0.323 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 1847264666 CVGKAQDNGUWTSU-WWFYLOCQSA-N 478.546 0.503 30 20 JCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 17223088 GVJLHZUXXBYXIY-UHFFFAOYSA-N 491.504 0.713 30 20 JCED N#Cc1ccc(N2CC[C@@H](N3CCN(S(=O)(=O)c4ccc(S(N)(=O)=O)cc4)CC3)C2=O)cc1 28748971 ZJBRDEJYZGIGNL-HXUWFJFHSA-N 489.579 0.317 30 20 JCED Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1S(=O)(=O)NCC#N 514456168 FZMDMTGGHCBEBX-GOSISDBHSA-N 461.588 0.956 30 20 JCED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 515622371 LRTNVXMCTIAYRS-UHFFFAOYSA-N 480.593 0.994 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)CC)CC2)cc1 520414837 OXFPAMPQAHAYFE-UHFFFAOYSA-N 472.589 0.362 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CC(=O)N(C)C 604269820 DSHYWDGGIHTNSE-UHFFFAOYSA-N 462.597 0.414 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1CCc1cccnc1 609038774 YQXSREFOCFBBJA-UHFFFAOYSA-N 489.601 0.499 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 730029495 REEXAKFOCRXMSR-XMMPIXPASA-N 492.492 0.142 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1cccc(C(=O)NC2CC2)c1 800754281 GRKSVSZKRWFEBW-UHFFFAOYSA-N 456.480 0.911 30 20 JCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 915785099 IYNNNHCKMOFDGF-UHFFFAOYSA-N 479.541 0.793 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2CCOC)CC1 916199410 GKPMDASTJKWZKD-UHFFFAOYSA-N 486.594 0.241 30 20 JCED C[C@H](NC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCCC1 918818261 OIWGXLBKIOPFAL-AWEZNQCLSA-N 450.517 0.176 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCOc2ccc3c(c2)OCO3)cc1 919048453 JHZXKQWVSPOKKD-UHFFFAOYSA-N 460.464 0.679 30 20 JCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)CN1CCS(=O)(=O)CC1)CCCC2 919141606 CFMANHQRWINASX-MRXNPFEDSA-N 478.571 0.630 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1301809979 RXYJODOCSSUETK-QGZVFWFLSA-N 452.537 0.927 30 20 JCED Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)N2CCSCC2)cn1 1314901111 WESKWLBEUCTYSD-KRWDZBQOSA-N 454.557 0.499 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1517106325 RCIVOXWSQLFKFY-IBGZPJMESA-N 470.559 0.901 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CCO1 1618709783 NGVMUILWRWTEHE-FPOVZHCZSA-N 481.557 0.938 30 20 JCED CC1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1693714752 UWFYUSPZQOFXKL-GUDVDZBRSA-N 481.623 0.460 30 20 JCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)c2ccccc2)CCO1 1712884575 OLJMFBBWRGQKJB-CVEARBPZSA-N 465.557 0.383 30 20 JCED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1730613946 SMPSZZRFHWIEEA-MRXNPFEDSA-N 450.446 0.962 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1741133158 ORPALURAXCSARN-HUUCEWRRSA-N 455.585 0.369 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(=O)N1CCOCC1 1741918065 OHOHKOQAYOVNQA-QGZVFWFLSA-N 499.597 0.912 30 20 JCED C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1763275660 SSZHYUMWWXONFB-UZUQRXQVSA-N 470.530 0.564 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1770360683 OCXBQXCSTQFPCB-UHFFFAOYSA-N 472.575 0.704 30 20 JCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1)C(F)(F)F 1778116305 IHZHKLJGALHFKA-KRWDZBQOSA-N 453.483 0.606 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)cc1 1778379431 FMFFRISINWTGPZ-XMMPIXPASA-N 462.510 0.574 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)cc(OC)c1)C2 1779203131 IECCTZFGHYJRDA-QMHWCDLVSA-N 474.514 0.759 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(C#N)cc1)C2 1779553192 KPUILYWTDKJWMV-PQNGQFLHSA-N 456.543 0.766 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780106356 YINFETWSDKFRPH-MHECFPHRSA-N 472.542 0.745 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783168173 ZKQYQGWSGSAGLA-DMPWYTOCSA-N 450.536 0.422 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)CCO2)C1 1783898730 SUDLXJWBHCHGEH-SZNDQCEHSA-N 491.595 0.426 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784485599 QATNPFNONPVNMX-OYSTVDSJSA-N 467.563 0.280 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1785577173 KVIDDDROKXTWMH-WZONZLPQSA-N 458.515 0.680 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3CS(C)(=O)=O)[C@H]2C1 1785679963 GPSMJEVSFCRJCB-DUPRYPCISA-N 463.556 0.258 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cc2ncccn2n1 1788304264 WMEAEUTYIUGSPQ-URZVVSFKSA-N 456.503 0.852 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1788577711 ZOPPUKCLUUODGD-ATIWLJMLSA-N 496.605 0.308 30 20 JCED C[C@@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)C(F)(F)F 1788653276 ZWVWGDYYWRVUOM-BKMJHITLSA-N 451.442 0.808 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21 1788658377 KHASGCCDZNBVQZ-GZGPQLLCSA-N 456.503 0.852 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C(=O)O)ncn4)C[C@@H]32)c1 1789256915 YZVZPTMTXWEGNR-VHFSOBRXSA-N 465.466 0.962 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1789808584 FHXTXGPOTLHQMZ-OROIIQQLSA-N 495.617 0.767 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790328413 ZKKBARQOOBJHIC-UJNZZBMASA-N 488.570 0.356 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccc(F)cn4n3)[C@H]2C1 1790527661 KYFWTNTWDQDAAE-XIRDDKMYSA-N 457.510 0.744 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C[C@@H]21 1790793017 OLFARQLEAQYAGO-NXOAAHMSSA-N 451.520 0.446 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791188482 WIJFPXBYOYINSE-FJIDUMEYSA-N 463.531 0.748 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3CC3)c2n1 1793262027 OYJXXOPNXGDEHU-HGKCTWBKSA-N 495.540 0.129 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)C2 1793340832 PBCGOMAORCRUMR-JUZZZCAGSA-N 459.568 0.725 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1793833659 ZUJKQPZHFSSLJZ-FCGDIQPGSA-N 468.595 0.381 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc(C)c(C)[nH]c2=O)c(C#N)c1 1794310944 ASPSIZFOVMGLKL-RMFSNUHRSA-N 465.510 0.713 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1)NC(=O)OC(C)(C)C 1797239620 RPFWIVYVVFBTLQ-SRYPRDQNSA-N 493.649 0.683 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2 1797709963 CUGDZJUNTKXVON-MDMSPXHWSA-N 469.579 0.689 30 20 JCED Cc1nn2cc(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/O[C@@H]3CCCCO3)nc2s1 1797808980 VHUUNLCPBDSHOQ-YAWJIXFRSA-N 476.559 0.760 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798564944 AAZDGUBRZQPIHY-PDOICOKGSA-N 461.515 0.840 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1799322452 KFPYRILZSNBWSX-LVEJAMMSSA-N 464.563 0.572 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2ccco2)C3)ccc1F 1799325279 ICMCODKTWGZQRG-FAQVEIGNSA-N 454.458 0.852 30 20 JCED CC(C)(C)OC(=O)NC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1ccccc1 1800778623 LAIDVFMNYJEMOW-WEMPKCCASA-N 485.537 0.973 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)C2)C1 1800779006 JXRNCCFLWZBABC-UPHUGPLXSA-N 475.542 0.701 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2 1802139853 UMNCJUAOTRIGTG-LOAAXEFPSA-N 476.530 0.840 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)c2cc(C)on2)[C@H]1c1cccnc1 1803548520 LKKXGGVLRDPKMF-BLIXFSHQSA-N 453.499 0.852 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@@H]2CCN(C(=O)C(O)O)[C@@H]2c2cccnc2)CC1 1808161103 RTTFZIRPSAYQQL-ZWKOTPCHSA-N 487.557 0.939 30 20 JCED C=C(C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1)C(F)(F)F 1812675571 SLVJBGLUIIJVSD-AEFFLSMTSA-N 474.505 0.936 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(N3CCOCC3)n2)[C@H]1c1cccnc1 1812878494 XZCDFZJRKMTBQK-MBSDFSHPSA-N 463.494 0.721 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814208086 FCXMGECCRYWJBR-ZIFCJYIRSA-N 472.546 0.672 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1814693557 UEBIBNJVDOELLP-ZVGUJKQYSA-N 467.482 0.669 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1814976418 MJVZOWRBPXXXHT-LLVKDONJSA-N 469.531 0.382 30 20 JCED N#Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN(CCO)CCO)n[nH]2)ccc1F 1822027005 YLYHBCVLFAXMTN-HXUWFJFHSA-N 472.521 0.942 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN(CCO)CCO)CC3)c(C#N)c1 1822809580 CXOYSXYSURBXIB-QGZVFWFLSA-N 487.582 0.465 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC3CC3)CC2)n(C)c1=O 1824408541 AGHPLDGMYBTXEP-IBGZPJMESA-N 480.569 0.467 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671722 NCVFAOFIOHMDHR-YPMHNXCESA-N 494.526 0.600 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826318815 RSIDQSHNHKTKFH-PZKYOYOPSA-N 461.500 0.509 30 20 JCED CC(C)(C)[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828546470 LYRGNNOPHXALLE-SQJMNOBHSA-N 485.537 0.934 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)cc1 1829635802 PTDQAOKJXNEZBH-VWLOTQADSA-N 468.554 0.960 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCOC)CCO2)C1 1830490632 URLQFJBUZRUZFY-FDDCHVKYSA-N 467.563 0.786 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1830881100 UNHGPWVOSZVDJT-GAJHUEQPSA-N 480.562 0.628 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831462640 CJSQYUPZBHRCMZ-KSFYIVLOSA-N 481.546 0.377 30 20 JCED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)C2)cc1O 1833404953 ZIRDVDITMWGGBL-FQEVSTJZSA-N 494.430 0.795 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)c(O)n1 1833695938 KKSHATAGFNDGGJ-WAIKUNEKSA-N 460.531 0.487 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)C1 1834402412 MOAMJICHHQTZMV-RBUKOAKNSA-N 463.579 0.699 30 20 JCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1834518094 HFUNPBBJAAESHI-UHFFFAOYSA-N 462.550 0.925 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCC)CCO2)C1 1834990501 NBLJXTAUHWSNJF-HTAPYJJXSA-N 453.536 0.396 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c(C(F)(F)F)n1 1835305437 CFONADBBXUDEDR-FOIQADDNSA-N 481.431 0.321 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1)c1ccccc1 1835395568 FELZZPQALBSTHY-JYFHCDHNSA-N 469.582 0.972 30 20 JCED CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1F 1835672669 GWMFMUUEGPUTSA-NRFANRHFSA-N 450.515 0.463 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836394592 QZSGCCFKRLZEFB-XMMPIXPASA-N 467.526 0.498 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)N1C[C@H]2C[C@H]2C1 1837286790 JLULOEDRSMZYOB-GSONXBCMSA-N 478.553 0.845 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1837309560 OVGSUCJEWJBNLZ-UUOWRZLLSA-N 471.558 0.855 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(C)=O)C2)C1 1837341792 KPFZCMQBWYDOGT-VGSWGCGISA-N 484.550 0.268 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1837396839 NSVZDCFPCYGHLO-AOMKIAJQSA-N 478.502 0.642 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)ccn1 1837443353 GUZBGPJFCZGSMF-HBAGGBEISA-N 472.546 0.582 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)s1 1837526855 GUCWALLCRWLKEY-FLPAMXLZSA-N 467.548 0.374 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837924111 KSYUSSRWCLVOLF-AGVQAPASSA-N 467.910 0.729 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C3)C2)c1 1838581752 NEPGJAOTUSZGDV-HJPURHCSSA-N 458.515 0.504 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ccccn5n4)C3)C2)c1 1838581765 NYGPGKJTVWCBEA-XMMPIXPASA-N 476.493 0.993 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)c(C#N)c1 1839131954 KCVTUAQDFNFJOS-VWLOTQADSA-N 486.569 0.288 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1839185123 OFJLJOVAQCDJKG-XFAGBWLFSA-N 496.605 0.814 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1cncn1 1839188077 KEFOHUACQVPACV-OPAMFIHVSA-N 456.478 0.549 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)cc(C(F)(F)F)c1 1839237493 MOPDDWFMHCEBMC-FQEVSTJZSA-N 478.431 0.939 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839578212 WHUDNAOVIMLVEC-QRQCRPRQSA-N 491.570 0.997 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)CCO2)C1 1839803881 BCAYODZEKDDLLA-FQRUVTKNSA-N 499.564 0.750 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1)C(F)(F)F 1839892112 UIPIBDHNMPBKAR-IBGZPJMESA-N 491.488 0.815 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1840162365 VWQUSOLSSFJTKL-RNODOKPDSA-N 463.516 0.067 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1840213151 GMAMTEQERIWNTM-YVHKJVDXSA-N 455.552 0.947 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813552 GIQJDGFMXCESJY-XFAGBWLFSA-N 492.573 0.507 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)CC)C2)C1 1840909070 MAQCXMWMIAHGMO-IMWIBFENSA-N 480.606 0.700 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847747273 LQJCJGDFPIDPBI-SQNIBIBYSA-N 460.579 0.758 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 24380204 INMVCOSFXGCCCO-CYBMUJFWSA-N 455.493 0.310 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2c(C)cccc2C)CC1 502009360 ZZGQMEUXAWKWRX-UHFFFAOYSA-N 476.606 0.917 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C1CCN(C)CC1 517990254 POHQFUPRBRCUIA-MRXNPFEDSA-N 470.595 0.839 30 20 JCED CN(CC(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1)S(=O)(=O)c1ccc(C#N)cc1 609021670 ZYEWPXRMQJHCNM-UHFFFAOYSA-N 453.484 0.514 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc2c(c1)OCCO2 619538529 FGNZTPAWFLXIMW-UHFFFAOYSA-N 465.487 0.625 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCN(C)S(C)(=O)=O)nnc12 642277505 TVUMYHHEWMVARA-UHFFFAOYSA-N 464.573 0.720 30 20 JCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 726995741 BYOKXMGGCLVWKY-PBHICJAKSA-N 471.495 0.261 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC(C)C)c2)c1=O 742530610 AHJNJBVDPIUDMA-UHFFFAOYSA-N 457.552 0.705 30 20 JCED COc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1O 748567943 HIENMFZOCLKTLX-UHFFFAOYSA-N 459.480 0.962 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3cnc4c(C)cccc4c3=O)CC2)o1 915381645 CIBBDLSGDMLOIP-UHFFFAOYSA-N 450.455 0.765 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCOC 917354195 IKMNLOAMOQTYMI-UHFFFAOYSA-N 480.930 0.774 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1 918446826 CFMPGUSZVNZQRM-TUQDJIKESA-N 488.570 0.821 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 919664396 BFRUVZNWZDWWDB-UHFFFAOYSA-N 481.534 0.834 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CCO1 1286947881 XOUOWCPHXSINKB-LQNXUBFPSA-N 470.530 0.610 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314675777 SBVAWZBIUQVGFG-KRWDZBQOSA-N 460.564 0.267 30 20 JCED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1503371923 OMILWCLEAYQMNP-SFHVURJKSA-N 457.560 0.909 30 20 JCED CCN(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1515719939 XITRRKUQUVWSAT-WMZOPIPTSA-N 452.629 0.795 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1519606519 MWJYWNQFWXYAPW-UHFFFAOYSA-N 469.527 0.921 30 20 JCED CN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C1CCCC1 1618277958 OFEVNBOSWVJEJY-ROUUACIJSA-N 467.596 0.214 30 20 JCED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(=O)(=O)c2ccccc2)CC1 1620353355 JYCPNYJCIBJYOT-QGZVFWFLSA-N 478.600 0.899 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1697017138 YCQBPSJERMZMQP-UHFFFAOYSA-N 455.519 0.732 30 20 JCED CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1710909920 WGLWAUCWLMZROQ-UMSFTDKQSA-N 485.614 0.566 30 20 JCED C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1750102855 VKVMKRRUTRXZMA-IRXDYDNUSA-N 490.586 0.845 30 20 JCED N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCS(=O)(=O)N2CCSCC2)cc1 1750383403 UYCGWJKSGGLYKY-KRWDZBQOSA-N 475.600 0.507 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1761481127 MCDCHKAFDYMLEZ-ZBFHGGJFSA-N 458.610 0.843 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778165133 OXJPABFNRJMTMG-SBUREZEXSA-N 457.531 0.971 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779062082 CIFPBXIUODCGEH-SSOJOUAXSA-N 484.553 0.521 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779446354 HDEJQZASTUWGMN-AUEMOGKKSA-N 484.557 0.683 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2ncn4nc(N5CCOCC5)ccc24)CCO3)c1 1780334048 DUDTXBKRLPJZQU-DEOSSOPVSA-N 490.524 0.523 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCS(=O)(=O)CC2)C3)cc1 1780409101 UVGNOGUKKDGWNI-NFBKMPQASA-N 474.583 0.416 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1781161558 NIRZONVZRHESDE-GAJHUEQPSA-N 474.562 0.955 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)c4nc[nH]n4)CCO3)C2)CC1 1781170124 QBDKCEOZRNBIBY-QFIPXVFZSA-N 473.534 0.789 30 20 JCED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1782189860 AAQPJVHJMARNIE-DENIHFKCSA-N 453.605 0.975 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)CCO2 1783896526 ASFMMAGGCWRYFI-PLNSCZHZSA-N 469.604 0.893 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090438 QQDUIFRBUBNYHI-KKSFZXQISA-N 461.523 0.069 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC)NC(C)=O)C[C@@H]21 1784786327 VCIWOMIPCHBNKQ-OMZCGLGVSA-N 496.605 0.587 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCNC5=O)[C@H]3C2)c1 1786261045 AHISQDOZMNMFHD-MDKPJZGXSA-N 462.510 0.714 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)C1 1789810933 JLDPKMBBYHAOGY-JCECYMMASA-N 462.547 0.498 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078044 RPNZHOFZBAEBHL-PVTIXZGBSA-N 475.542 0.842 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CC(N)=O)C[C@@H]21 1792255359 JEJPBPRCGVXCQC-ICUGJSFKSA-N 464.563 0.394 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)[C@H](O)C1 1792451611 JUCWOHPUQQKJSZ-JEIKXUOUSA-N 487.557 0.707 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)C2 1792484333 DBRREEJNRGGBQH-VLYULWFXSA-N 464.563 0.595 30 20 JCED O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)NCc1ccccc1 1792939504 BRJDEIYKIQFZNS-LFNUZRHTSA-N 484.553 0.978 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)NS(=O)(=O)CC)c(O)n1 1793310662 ULXGLFLUUKOWLU-OAFZBRQQSA-N 480.587 0.437 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2 1793343889 AHCMDBLWDYKECM-CFNVJGFXSA-N 455.555 0.515 30 20 JCED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1793573764 ZGUNGCBFVPRHHS-BJWYYQGGSA-N 472.546 0.055 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)C1 1795410029 WZBWABXINSWBEY-UDMSYCLOSA-N 476.574 0.888 30 20 JCED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1)NCc1ccco1 1797838069 UFYHUXGCPHTDFC-BVDZDMRKSA-N 454.483 0.754 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1 1798735343 TZUJHRZZTGLPME-KPEUIFRASA-N 462.503 0.287 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2 1799322821 PMMROIASNOWGQA-UYTYNIKBSA-N 452.552 0.570 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1799363900 LQZBUBKUSPRSND-OYNZLANYSA-N 469.579 0.425 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C(F)(F)C1 1800778851 SPZQSOYIWJVZGG-KRXQYRFLSA-N 485.484 0.556 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2n[nH]c3ccc(C#N)cc23)CC1 1800876057 HPNCFCMJAQRBQU-REPLKXPHSA-N 463.542 0.850 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)C(C)(C)C)C2 1802124474 CBGSVDAAEPCVHK-CWQOZTLDSA-N 451.564 0.900 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(O)c1)C2 1802128187 PNJBVEMIAGEQLJ-UKBAYJJMSA-N 458.515 0.907 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1804376550 NQDBKZCUACTQIJ-QKPAOTATSA-N 464.519 0.084 30 20 JCED C=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)C1 1828486892 CINMVYSQXXPKCD-HFZDXXHNSA-N 497.596 0.998 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1828807838 UYRJORSEGVDNNA-ZJSXRUAMSA-N 485.541 0.003 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@](C)(O)CC(=O)O)CCN2C(=O)OCc1ccccc1 1829355620 ALIKWPWIENZHDL-BJKOFHAPSA-N 471.510 0.688 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1829764613 PZTFGCFHUBYSRD-YJMIJIGASA-N 488.610 0.421 30 20 JCED CN1N=C(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CCC1=O 1830465971 YHCUJKRSWFCIQZ-HSZRJFAPSA-N 472.929 0.756 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)c4ccccc4OC)C3)C2)C1 1831386927 BYVWETBUYQERBW-BCHFMIIMSA-N 499.564 0.262 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1831434151 RGYNYEWVHXBFBE-FDDCHVKYSA-N 461.563 0.380 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1831493143 OKKXDUBMAWMSFR-UZLBHIALSA-N 466.585 0.780 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831687707 QZLQWVVWMJIZJC-DEOSSOPVSA-N 456.543 0.719 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnco3)CCO2)C1 1831942668 DKHYXPWGXULBHG-OPAMFIHVSA-N 462.503 0.661 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1831999752 BVIFYXWEFRBQCC-HTAPYJJXSA-N 463.535 0.949 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1832452481 ZLLYGWAJCNSLOM-IUKKYPGJSA-N 499.630 0.732 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)cc1 1833042194 YVTXMBGBVRROQO-GOTSBHOMSA-N 453.587 0.785 30 20 JCED O=C(CN1CCOC1=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833386706 NWCUAWCGNZSZEQ-VQYZLWMVSA-N 465.551 0.539 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c(C#N)c1 1833475914 ZBNSYDHEKPJMCB-DEOSSOPVSA-N 482.493 0.279 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835381551 SDWRXFVHCVBNAC-FDDCHVKYSA-N 468.595 0.864 30 20 JCED Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)n1 1836059102 AEHZTHSQDANXDQ-ZDUIWUOISA-N 458.540 0.920 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1837172875 LMWCWGLAXVKURV-GYLQWBMOSA-N 453.499 0.491 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837382096 WQGZZHGQPABTPS-MWTRTKDXSA-N 473.530 0.344 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1837403471 UFDRIDYTFVKFHT-LZQWRSJTSA-N 483.565 0.926 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1837405239 KKINTTDPJRWGSO-NLFFAJNJSA-N 473.570 0.754 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1837440817 ZKRDOLLVLDKKKX-JECJHWOISA-N 463.579 0.317 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1837443708 GRPFVSILFGWLBI-WGBQGACBSA-N 481.500 0.785 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1837493432 FHNBUJABNSPKDU-BKMJKUGQSA-N 470.566 0.745 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)nc(OC)c3)CCO2)C1 1838228371 OCOUSYRJHMDQGH-BTYIYWSLSA-N 451.907 0.852 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)nn1 1838353705 XPIKMQCCTHHING-QHCPKHFHSA-N 467.482 0.506 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])c4c2OCO4)CCO3)c1 1838628391 BNQVQOOZRRQPGC-QFIPXVFZSA-N 483.437 0.907 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839163720 PTQMNYNFFGDQAD-GLDPYIMESA-N 494.589 0.274 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccc(OC)cc3)C2)C1 1839173327 KENOQRDQUUHNSU-ZJSXRUAMSA-N 476.526 0.694 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CC(c5ccccc5)=NN4)CCO3)C2)CCC1 1839636000 IEMSJQQNVRIXSG-YKSBVNFPSA-N 451.527 0.903 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839726912 NJDXXDDJUHHSOK-SZBRSHHCSA-N 487.597 0.669 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839987969 ODYBDUMSJHOEEW-SGCYSOCQSA-N 467.567 0.439 30 20 JCED CCN(CC)[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840044617 OGYFVAHTZDNUPB-VWNXMTODSA-N 457.527 0.614 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1840108127 MZHAJBDAWHYXSB-MFEFFIJZSA-N 497.593 0.359 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1840168733 OKIXHPKBEIAMOO-GOSISDBHSA-N 486.310 0.888 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840415657 KWUDPGVUPBGGAZ-BSRJHKFKSA-N 492.577 0.765 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1840715923 QUHALKOBGNKYJZ-XDHUDOTRSA-N 481.509 0.958 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840813258 PTJGXLYSYQFBHE-OAQYLSRUSA-N 462.528 0.249 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818426 BKVWKVDRQZWPIF-UZUQRXQVSA-N 458.515 0.308 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840819379 HJFZKABFXSVVIP-DEOSSOPVSA-N 483.525 0.550 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CCC1 1840881726 LIBAHCWNCUSUNP-UUCGHWEQSA-N 457.483 0.967 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1841054546 MTUCAFPKWKUURF-HJWRWDBZSA-N 461.482 0.246 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 1841579985 WVNNZEONLVMZHB-UHFFFAOYSA-N 487.310 0.841 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1847069726 RSHQLWPWEDGYJJ-OAHLLOKOSA-N 491.570 0.572 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1847071970 RHMSRJRMBGTUTO-RTBURBONSA-N 461.607 0.742 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1=O 23297464 XZHUOWKYYJJBPQ-UHFFFAOYSA-N 460.512 0.139 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)cc1[N+](=O)[O-] 507513358 JYRVWFUXPLSCDE-UHFFFAOYSA-N 467.485 0.565 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCNS(C)(=O)=O 524281299 PQLRLHYAOHKQNH-ZDUSSCGKSA-N 478.552 0.485 30 20 JCED COc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c1=O 524282853 OQXPJJDEIRKDDN-UHFFFAOYSA-N 464.341 0.894 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)CC2)cc1 524419113 XBHQUDPBNZWPTB-IBGZPJMESA-N 461.588 0.663 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1=O 726043695 QBVPLLXHSBBCIS-UHFFFAOYSA-N 475.413 0.921 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCN(CC)CC3)sc(=Cc3ccncc3)c2=O)c1 726579610 KLAWNYSLVIDCBN-UHFFFAOYSA-N 469.570 0.942 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCS(C)(=O)=O 729673621 YARAAGDQNRZXGF-UHFFFAOYSA-N 481.571 0.139 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c(Cl)c1OC 730439398 IWHDSWIIHNJWPE-UHFFFAOYSA-N 468.944 0.156 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1 798366116 KABJRUFJGVNPPR-UHFFFAOYSA-N 479.536 0.577 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1C(=O)NC2(CCCCC2)C1=O 899450330 FGMOVFPBIXZFBY-UHFFFAOYSA-N 461.544 0.876 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 916694433 TWITVVMEYQQLJQ-GFMRDNFCSA-N 492.602 0.508 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1(=O)=O 1301969494 XVYFLIVTTVZXNC-PMPSAXMXSA-N 474.609 0.174 30 20 JCED CN(CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)S(=O)(=O)c1cccs1 1466196153 UIJRBUQYXYVLQT-UHFFFAOYSA-N 456.571 0.614 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)(F)F 1510199073 ORUJJENIXSMOHU-XHDPSFHLSA-N 451.475 0.697 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CCC1 1692662802 IOTRBVYHBIIJGG-MJSDIWTKSA-N 458.610 0.651 30 20 JCED COCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697729814 ZOKTZUCCNBCTLY-MSOLQXFVSA-N 481.623 0.460 30 20 JCED C=C(Cl)Cn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1705760974 XBWFNZAYSLVDPV-OAQYLSRUSA-N 468.986 0.664 30 20 JCED CC(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741294941 OYQUPICXRLENNN-KRWDZBQOSA-N 451.535 0.595 30 20 JCED CCCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745802093 STDBVMQJICKEAW-MRXNPFEDSA-N 466.550 0.303 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1748289168 URUCKBDFKAUDPE-KXBFYZLASA-N 482.563 0.579 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4ccc(Br)cc4n3)C2)C1 1778369944 XEDAQSZGIZBANA-IBGZPJMESA-N 461.272 0.628 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1778784792 QQVMGWMFWJIRFT-HNAYVOBHSA-N 485.419 0.480 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C3)C2)c1 1779076385 ZCGAWEBTYFSHQW-OFNKIYASSA-N 473.482 0.505 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1779104733 GCOPTVSMWPZZDC-WZKKCSGSSA-N 456.503 0.631 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1779323266 OJTVAVBOFIAEMA-YDIMBITNSA-N 496.605 0.827 30 20 JCED COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1NC(C)=O 1780107908 RNCFBASNVGYXGX-AUSIDOKSSA-N 457.483 0.869 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1781049232 HFTZZTVPMAQWTM-RADWXHQJSA-N 461.519 0.857 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1781169649 YDPRIMNYAQJLDD-HXOBKFHXSA-N 480.562 0.869 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)c(C#N)c1 1781176212 IJBXQBKXIQHDAF-PKTZIBPZSA-N 459.499 0.555 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CN3C(=O)C=CC3=O)C4)c2c1 1781207252 GDMQSQMXRALYTN-HOYKHHGWSA-N 476.493 0.487 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])CCO2 1781269189 CZBMGOVUNAKAIK-NRFANRHFSA-N 462.459 0.951 30 20 JCED CC(C)C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N1C(=O)c2ccccc2C1=O 1781370684 DZAMYVMFYFWKCX-CLOONOSVSA-N 481.505 0.615 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1781392930 GCGPKHAUYYDWBV-ARZBDZIHSA-N 474.558 0.797 30 20 JCED C=CC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1781602246 SPUVJLGVHAJGLL-HUIKVJECSA-N 492.642 0.893 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1783766838 QFRRQEJBWLGECB-IVZQSRNASA-N 477.518 0.801 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CCO[C@]4(CCN(C(=O)[C@@H](C)S)C4)C3)c2n1 1783894248 IUQQGRCGAGFOLM-LRTDBIEQSA-N 491.574 0.275 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088708 QEVTWJJKCYRBHN-PKKBDPGCSA-N 495.573 0.998 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CS(=O)(=O)CC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088797 JRBLAVYDDTXLEB-HTAPYJJXSA-N 485.603 0.817 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 1784500974 ATDJWXPFULUACV-YEWFCNIMSA-N 451.545 0.670 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1784786584 PNXIKYQKIHYXAY-WOYTXXSLSA-N 493.561 0.034 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784917529 PUVTWVRCFDEQLH-AVGNSLFASA-N 468.400 0.831 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)NC(=O)OC(C)(C)C 1785308824 WCNBIYJWSOCNSE-SCYDXJQRSA-N 466.579 0.399 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1785574972 WFTGNPLVECXESG-JPYJTQIMSA-N 464.563 0.065 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(N5CCCNC(=O)C5)n4)[C@H]3C2)c1 1785785915 SSMYRLSKZGIAPQ-WFXMLNOXSA-N 491.552 0.515 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787939815 ADZLYBQNDBCHTB-XSLAGTTESA-N 497.556 0.634 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1788572485 DLNLXQWGZUTJEF-QAGGRKNESA-N 459.547 0.148 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788659381 KSEYQGLXYCGYNQ-WCHKWZEVSA-N 465.576 0.522 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cccc([N+](=O)[O-])c4=O)[C@H]3C2)ccc1F 1790654842 GYTMGHXZYKKBSN-MDKPJZGXSA-N 497.483 0.990 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21)C(F)(F)F 1790884455 UHQYUYCBCYCVPM-XEZPLFJOSA-N 455.437 0.728 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(C)(=O)=O)C[C@@H]32)cc1C#N 1792057374 IUOSLIZAJMAENW-QRFRQXIXSA-N 463.556 0.983 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)NC(N)=O)C[C@@H]21 1792257163 AEGJEKRZVPPTAA-TXTZMMAHSA-N 479.578 0.330 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCNC)C[C@@H]21 1792257944 QKZURCQHCUZWNK-OKYOBFRVSA-N 450.580 0.882 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)c2ccccc2OC)C1 1792811509 CXZNTRTWORWGJG-UYZIEWPDSA-N 469.538 0.395 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)NC 1793285297 FNPVDASTQRZODA-CLWJZODNSA-N 464.563 0.409 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1793357325 NEVHMZRJGSIABW-AFIMGQEJSA-N 466.498 0.365 30 20 JCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794506482 ANPOOMABOJQSQB-NHKMSHSESA-N 467.570 0.805 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NNC(=O)C2)C3)c(C(F)(F)F)n1 1795994316 AMGPQCUHVGOVTL-KEODLESXSA-N 450.377 0.051 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC(F)(F)C1 1797179240 JUMPIYYYGSROAA-AFIMGQEJSA-N 485.484 0.556 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Nc1cnccn1 1797781060 OJKTUPNKOQYHTR-BFMVXSJESA-N 486.573 0.783 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2)C(C)(C)S 1800906126 BVOAPHZEKFKLIV-VSAMBSGTSA-N 471.620 0.949 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804352867 HHUKUKBVOLCERP-FGSXEWAUSA-N 476.493 0.636 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1C(=O)C=CC1=O)C2 1804370877 VPRIFFVGTPPLEZ-XMTFNYHQSA-N 472.542 0.856 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)sc2C1 1817244177 WWBFRTKYQLYMSX-KOCKTZTGSA-N 476.584 0.716 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C(O)O)CC3)CC1 1822805203 SWYNMPPTJREQBW-GFCCVEGCSA-N 479.559 0.907 30 20 JCED CC[C@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828540042 WMFUTXNZFCHACD-MBSDFSHPSA-N 457.483 0.297 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)/C=C\C(=O)NCC=C)C2)C1 1829260683 BCJIAVMYSRCUSV-VBKSFVIKSA-N 464.522 0.930 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1829768671 DHCPEITTXHJAIM-YJMIJIGASA-N 465.510 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 1829771497 SBKYQVXVJASYND-UZQCKINESA-N 490.488 0.591 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830352543 PLXFBDIMHXPUTJ-SAQVGAHLSA-N 495.536 0.136 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)n1cnnn1 1830472203 FSFDBHAXSQAXAO-IERDGZPVSA-N 458.906 0.396 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831175029 SQRYAKHBAMFGTC-MHECFPHRSA-N 456.543 0.862 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1831427724 YWEKPIBQQSJBDL-QMHKHESXSA-N 459.499 0.679 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1831492575 LMAHLBRDBKZIJM-PGRDOPGGSA-N 461.540 0.846 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1832000824 YWDDWKDCOFMLQP-GAJHUEQPSA-N 495.573 0.865 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1 1833465589 KFSQXZLWRKCDOX-XLIONFOSSA-N 480.606 0.482 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)CC1 1833477352 RCXFHUWMWPXKAN-QGZVFWFLSA-N 461.563 0.420 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1835101555 GTHLHLFBICKRGV-RUZDIDTESA-N 459.506 0.780 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)NC(=O)OC(C)(C)C 1835348115 RHBQPOQMPSZBLQ-WAIKUNEKSA-N 494.545 0.203 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835405820 OIYLRUPUKXADOY-UUOWRZLLSA-N 494.589 0.535 30 20 JCED C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835686996 ULHTYUDLLRIAOW-JPYJTQIMSA-N 458.563 0.620 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)o1 1836019295 KREYPVXGCPGWSK-QHCPKHFHSA-N 453.499 0.881 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836305519 KBZZEFFQTOLLQV-AOMKIAJQSA-N 476.534 0.100 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837112522 FTPMZZWLGSQMEU-IWXLIXGASA-N 471.514 0.933 30 20 JCED O=C1NC(=O)[C@@H](CC(=O)N2CCC(OC3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)N1 1837115236 GCQGGESFPSEXAV-LJQANCHMSA-N 474.558 0.282 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1837399251 PFWITVZYXSDFRD-NTKDMRAZSA-N 457.527 0.573 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1coc([Si](C)(C)C)c1)CCO2 1837420287 QJZDFIZBYKQPPD-KSEXMQBYSA-N 475.618 0.753 30 20 JCED COc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc1F 1837524147 AOVLNEXCJWRTCJ-VCGLIYPTSA-N 480.493 0.828 30 20 JCED Nc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cs1 1837527817 XEWYRKMHGNGRQA-FRBZJCMESA-N 453.521 0.324 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837758938 GLYJNPSZAOHNCR-KRYRLDPGSA-N 491.545 0.524 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)c(C#N)c1 1839131668 RAKIXLIZCFWBCA-QHCPKHFHSA-N 467.482 0.375 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1 1839184959 IVHILUQRNYKMKO-GAJHUEQPSA-N 485.578 0.921 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1839184990 JVJSHBJMORUWHU-UZUQRXQVSA-N 482.578 0.438 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)ccc1F 1839187921 DWEMWZVKSMQUKB-SIKLNZKXSA-N 479.530 0.273 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1839227700 JJNDRBXFJRONNW-IUKKYPGJSA-N 475.546 0.457 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)cc1 1839364105 LZCMSGIEUAVYOZ-DEOSSOPVSA-N 454.527 0.835 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)c1 1839420338 CBVLELQDXYOHGP-QHCPKHFHSA-N 480.456 0.829 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n4ccnc4n3)CCO2)C1 1839550655 WRNVDLFFSONIKE-HTAPYJJXSA-N 458.519 0.909 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3c(Br)cc(F)cn3n1)CCO2 1839620393 DXFPMOUEQMYISZ-SFHVURJKSA-N 466.267 0.334 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2)C(F)(F)F 1839622382 AQHNGWFMAIIQKE-HXUWFJFHSA-N 471.480 0.907 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840071837 KYIWGVCTMYLHLE-YRUKQIKQSA-N 494.589 0.753 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1)c1ccc(O)cc1 1840220338 KGZZKNCNECFHBA-NTKDMRAZSA-N 457.527 0.482 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251806 ZDOPUPQKUAXSTF-YADARESESA-N 489.573 0.905 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1840715919 QUHALKOBGNKYJZ-MZNJEOGPSA-N 481.509 0.958 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1C#N 1840763406 BCSILPCVEHWXFC-QHCPKHFHSA-N 455.467 0.503 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4cnnn4)C3)C2)cc1C#N 1840764100 JLOLRKLWQCMMOA-GAJHUEQPSA-N 483.529 0.663 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN)C2)C1)NC(=O)OC(C)(C)C 1840795625 STCNIDYJCCYISM-STSQHVNTSA-N 468.595 0.897 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1840840591 WXBZEVSJRCCGOS-JPYJTQIMSA-N 459.568 0.966 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)CCO2)C1 1840856203 IGHDGAZTIBCGDA-KPCPBYSCSA-N 491.560 0.920 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ncnn2C)C1 1842343409 PKSWEJBOPFVCFG-HNNXBMFYSA-N 491.549 0.438 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)C3(C#N)CCC3)C2)C(=O)C1 1846977953 GEUZPTNHUBRUMZ-UHFFFAOYSA-N 459.547 0.963 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C1CC1 590998071 BZPLXLCJLDQTAD-UHFFFAOYSA-N 473.551 0.926 30 20 JCED CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCNS(=O)(=O)CC)cn1 726108676 JJJLMWFCSVUJAI-HNNXBMFYSA-N 456.594 0.833 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(OC)nc1 726962127 PDYOFTLXNXKODI-UHFFFAOYSA-N 496.593 0.699 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1cccnc1 727814064 IUMJJPNGGRPDOK-UHFFFAOYSA-N 494.621 0.944 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3OC)CC2)sc(=Cc2cnn(C)c2)c1=O 837284570 HAQWGQLTNNLNLB-UHFFFAOYSA-N 490.589 0.690 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 838184326 QJQXHHZYCWSGDT-UHFFFAOYSA-N 455.536 0.905 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2cn(CCO)c(=O)nc2O)no1 904855554 ZNZJLYDSKXDKGZ-AWEZNQCLSA-N 474.499 0.961 30 20 JCED CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)CC1 915775332 AOWLAZXGNJTCGD-UHFFFAOYSA-N 471.543 0.056 30 20 JCED CN1CCN(C(=O)CCNC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 916693030 LJZAOORBGLUVCA-NKFKGCMQSA-N 450.565 0.785 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 919206627 DSFIEXDMWCLSKR-NSHDSACASA-N 490.332 0.746 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(N2CCOCC2)c1 1288872634 YGXLZCFOMMBYLJ-LPHOPBHVSA-N 475.575 0.502 30 20 JCED C=C(Br)Cn1c(N(C)CCNS(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1300861832 NMBBFSDDJYFQRZ-OAHLLOKOSA-N 452.375 0.824 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCSC1 1303642748 YMJIXSNLYNMBTN-GJYPPUQNSA-N 471.653 0.787 30 20 JCED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 1307693016 RJLMJDVUCOMQPI-HOCLYGCPSA-N 459.576 0.636 30 20 JCED COCC[C@@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1504748996 KNMVDQLKFJOSPQ-DYESRHJHSA-N 478.575 0.712 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1508425123 PPFODENPRMCZOO-KGLIPLIRSA-N 467.518 0.701 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC(F)(F)F 1510199054 ORUJJENIXSMOHU-ABAIWWIYSA-N 451.475 0.697 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)n1 1555556897 KUKSNOYBFSKHOJ-GOSISDBHSA-N 454.535 0.876 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCOCC2)CCCCC1 1611711571 QIFBMUVGWDEXNO-MSOLQXFVSA-N 481.623 0.652 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1695932784 XPHOLFLIILZHFW-IBGZPJMESA-N 466.590 0.796 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NC)CC1 1705687819 KGXJKXWECYLUQD-AWEZNQCLSA-N 491.412 0.482 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1706048999 OQMVLKAQJCMEGE-UYAOXDASSA-N 472.571 0.983 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCO1 1706049730 VATLFIAZFGHKIA-UTKZUKDTSA-N 453.547 0.879 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCSC1 1723953205 PCUOZVQARWQSMJ-HRAATJIYSA-N 491.643 0.955 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC(=O)N(C)C 1741939157 ROGZLGSNDHNPTH-HNNXBMFYSA-N 492.581 0.704 30 20 JCED Cc1ccsc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1742078434 OFBOUVSIPUATNQ-HUUCEWRRSA-N 452.562 0.758 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1765650453 YEQFZOLOTULORW-HXUWFJFHSA-N 496.616 0.708 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1779179399 BYUCTWNLHWUMIT-XDHUDOTRSA-N 462.510 0.805 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)NC(=O)c4cnccn4)C3)C2)c1 1779180491 PJYNTIFMUYGMOB-UPCLLVRISA-N 478.509 0.619 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(=O)O)ncn1)C2 1779358909 LWXVGBVAIUQEBN-CTOGLWAASA-N 458.519 0.774 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1779553662 JMDAKEQCTRREAE-TXTKFYIRSA-N 463.575 0.350 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)cc(OC)c1)C2 1779557387 JHNPCPYXOVNUCO-YZUZCNPQSA-N 472.542 0.845 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1)c1ccc(O)cc1 1781542558 MQHYPYXGHHXSJY-NYUJMHJJSA-N 499.564 0.946 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)C=CC3=O)C2)c(O)n1 1782312369 AUQOPNPYFSJIFM-KBMIEXCESA-N 482.537 0.958 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c(C#N)c1 1782961534 VUIWGTXEZYZKQF-DENIHFKCSA-N 461.540 0.516 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1783181150 HMSKXTFDSKTKCQ-GZWGPKMKSA-N 486.635 0.943 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783681406 FGYFESAKGANIJP-OAQYLSRUSA-N 460.593 0.432 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)CCO2 1783895629 YKHUZDMSWVQOTE-YJXLLHPSSA-N 457.593 0.753 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1 1783919034 YUSGYXKMRINFKU-UHMOLFJZSA-N 482.002 0.999 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1783990927 IFIXOYUUIVJQCZ-TUFLPTIASA-N 471.554 0.903 30 20 JCED CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21 1784408429 BCNHKVDVYIUPMH-CQDKDKBSSA-N 453.421 0.701 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785314579 GOKXFEFNYWUWOS-HXOBKFHXSA-N 463.531 0.942 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4nc(N5CCOCC5)ccc34)[C@H]2C1 1787176280 WACUMNXFFXTHFV-JKBKZWBZSA-N 496.568 0.198 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1788600893 HYECCRQEUNJHPF-UAZLUECFSA-N 467.526 0.886 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1788772038 XUISYLIVRRWIJN-WJMWBRGCSA-N 461.946 0.822 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C3)C1 1792441397 HDNZGUWUBDRBPV-SSTJLMRISA-N 490.601 0.914 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792559058 JDFOGHYCASMURE-GJPCKUABSA-N 461.522 0.904 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)CC 1793255149 PZHIPMDSUIVBOG-OGJJZOIMSA-N 464.563 0.407 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C2 1793592699 PBMFHBBBZVVGRX-MHORFTMASA-N 466.579 0.960 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1797310388 ZPMRDBDNAMKBPY-LDXCWZNISA-N 471.620 0.902 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C=C)C2 1799232206 VDOZCMRYNXAHAV-XLIFZOOWSA-N 490.601 0.964 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800907708 JSJHDPADHLTVIO-UXDQUXDASA-N 498.646 0.799 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2)NC(=O)OC(C)(C)C 1801928526 CHAAEGLEGAYCDI-CLWJZODNSA-N 480.562 0.888 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801979400 FGMHPEJLRQMWCV-ADHGMGHFSA-N 462.547 0.640 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 1802025239 UZEAFCSYPLUHKG-AWJHCHFGSA-N 499.564 0.386 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCN2CCOCC2)[C@H]1c1cccnc1 1806951446 VBATUTDRLACANV-HUZGNZCDSA-N 455.559 0.668 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807145744 QKUUUEZCQBQYDK-AEFFLSMTSA-N 466.479 0.094 30 20 JCED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1)C(=O)O 1810356602 JZRHOHLULIMHLD-JWIYFHEASA-N 461.519 0.679 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1 1812875055 QPXRXOAXMTZWRD-MGPUTAFESA-N 456.480 0.288 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1828925576 XWDYHQDKJNLYDM-RCZVLFRGSA-N 499.568 0.393 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828969780 OGHVOGUDJASLIK-UUOWRZLLSA-N 486.573 0.513 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1829635578 LHZIMGIUFOVYIW-NFBKMPQASA-N 475.567 0.524 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1829769976 AIVCMNPABZYISH-BBIZLLLXSA-N 485.463 0.367 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)OC)C2)C1 1829773159 CEJUIJPCICHTRA-BJHDWPLJSA-N 475.542 0.057 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CC)CCO2 1830533251 IXHQELKFWXJJRB-GSHUGGBRSA-N 453.536 0.130 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccc([N+](=O)[O-])o1)CCO2 1830903942 RIBYXXJZROWQGI-OSPFBIDGSA-N 474.470 0.516 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC=C)NC(=O)OC(C)(C)C)C2)C1 1831386541 HQCXIMFQRWDWNG-AXHZCLLHSA-N 479.574 0.951 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 1831397898 ZHHOWSTWYHJRNL-YADARESESA-N 452.511 0.981 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(=O)OC)c3)C2)C1 1831399208 RMRCTGOCAJJEOP-GAJHUEQPSA-N 459.499 0.973 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1832005066 UBTJJLUAGSMLJU-HXOBKFHXSA-N 478.546 0.382 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)c(C)c1)CCO2 1832081973 BQLITTBWFMDNKA-CNXHMKESSA-N 471.554 0.861 30 20 JCED C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(F)(F)F 1832161016 SZVJZQFGSBQHIW-AZUAARDMSA-N 462.465 0.455 30 20 JCED O=C(CC(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832249355 XZLFOYDYTIKGIA-GFCCVEGCSA-N 454.295 0.750 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C2)C1 1835364292 PKKXOKFTCCFUIN-OAQYLSRUSA-N 498.989 0.769 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835364298 POEJEJLHXXUOQU-YADHBBJMSA-N 466.535 0.118 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835677702 MTFNDCJAGVDIIQ-QHCPKHFHSA-N 458.563 0.499 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(C#N)c3)CC2)CC1 1836259479 ZLTAMFABVDXNCP-JOCHJYFZSA-N 455.559 0.895 30 20 JCED CCn1c(-n2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)C#N)C4)C3)cc2C)cccc1=O 1836259762 HLGQDTJXGXPYQK-VWLOTQADSA-N 496.568 0.982 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c(C(F)(F)F)n1 1836322000 USSPNOVDQNEFPA-FQEVSTJZSA-N 478.431 0.939 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc([C@@H](C)C#N)c4)C3)C2)CC1 1836768817 DLTSXMJMTXRSJS-FNZWTVRRSA-N 497.596 0.548 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837080785 ZMRGFFBWXUOVPN-QHCPKHFHSA-N 456.499 0.914 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837318563 UUNWZGRCXPCVOP-FCZBNIPYSA-N 481.424 0.077 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837386055 KDLIQRPNARNZFC-HXOBKFHXSA-N 473.530 0.101 30 20 JCED CN(CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(=O)c1ccccc1 1837440732 VWIGHXIHJNOHST-HLHNIQGOSA-N 485.585 0.687 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529051 OXZPINJCBLPAGI-ZGSRNSTBSA-N 459.565 0.131 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)cc1 1837949820 XLEBKXDILDAYIG-QFIPXVFZSA-N 451.439 0.430 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838492347 JWLZPFIMTRUJMI-XMMPIXPASA-N 497.556 0.792 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(CO)on4)CCO3)C2)c(C(F)(F)F)n1 1838801291 AZWBXXADQPTKQD-HXUWFJFHSA-N 495.414 0.836 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1839224970 ULVWKKRJFZKNDZ-PNCHPQGNSA-N 499.609 0.486 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c(O)n1 1839662959 QAFDGAMHCMMLAJ-DEOSSOPVSA-N 483.525 0.233 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839894077 HPMINYDBJANOCH-UGSOOPFHSA-N 467.441 0.404 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044460 XZTNFZVTJQGRSU-MEICDQCUSA-N 491.541 0.319 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)C2)C1 1840164340 GQNNQNYMHIIZGS-QVDSOXLBSA-N 499.630 0.786 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840796733 MYCFTQRGSUWYKA-JPYJTQIMSA-N 482.578 0.438 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)c3ccccc3)CCO2)C1 1840899896 FYSRYKPFHSEJON-IECBHUPTSA-N 457.527 0.300 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1 1840905887 ULAJDYCHOATEGC-XMMPIXPASA-N 454.527 0.875 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N1CC3(CCCN3C(=O)CC#N)C1)CCS2(=O)=O 1842623619 STALSXLLXWDPIW-OAHLLOKOSA-N 466.560 0.528 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 409864499 NPTBYVCFOIMSHL-UHFFFAOYSA-N 499.589 0.850 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 502947529 VBDFMNRXNLPNAA-UHFFFAOYSA-N 492.579 0.940 30 20 JCED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cnc2n(C)c1=O 506438077 DBNQEOTUTIGVGZ-UHFFFAOYSA-N 489.492 0.320 30 20 JCED COC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 517110018 PBKTUPPWTUTEIE-UHFFFAOYSA-N 474.470 0.956 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3ncccc3c2)c1=O 523090219 MUWGLBBWTZPPDK-UHFFFAOYSA-N 464.547 0.856 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 524122867 XOJBWDVYKPNMAL-UHFFFAOYSA-N 494.539 0.935 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc3ncccc3c2)c1=O 603793244 UDNRAVZZHPWCOI-UHFFFAOYSA-N 475.574 0.595 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(=O)N(C)C 604270293 MHKDBZKOPQYPNQ-UHFFFAOYSA-N 483.377 0.570 30 20 JCED CN(CC(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 609345631 FKGIFXKZRVHQNA-UHFFFAOYSA-N 480.554 0.499 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cnn(C(C)(C)C)c3)c2=O)cn1 726180237 CVCMCBQHHNEWHI-UHFFFAOYSA-N 483.598 0.723 30 20 JCED CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726404418 XLAPVMYHFDXUJC-NPNYCVGBSA-N 489.579 0.909 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([C@H]4C[C@H]4C)o3)c(=O)n2CCOC)CC1 748043554 YCDDKMWSAVEARB-AEFFLSMTSA-N 470.595 0.940 30 20 JCED CC(=O)N[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 749161133 DJHVXSBMWHDTCK-IBGZPJMESA-N 450.517 0.095 30 20 JCED Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 821693331 GARGGBMUVLGEMP-UHFFFAOYSA-N 458.496 0.674 30 20 JCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1=O 914830159 AIKMTVSZEWLDKK-SXGZJXTBSA-N 456.565 0.724 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC)C1 1300850044 VWKNGXXMNUCBNT-KGLIPLIRSA-N 480.385 0.371 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2COCCO2)C1 1620170780 LQSXWRJMVRWFPJ-IRXDYDNUSA-N 454.553 0.156 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccnc(-n2cccn2)c1 1692786161 RYXPLHBUCCCGSW-AUUYWEPGSA-N 459.511 0.959 30 20 JCED C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1722540691 OWPPKSANGHBPFU-SFHVURJKSA-N 460.560 0.603 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1766726517 XEMPCVIQIIBEMJ-UHFFFAOYSA-N 461.548 0.051 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1777963272 CMCHDHHSSXHFSN-VOLVWJTLSA-N 467.563 0.424 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1777986998 CIXUIWJEKSTUIY-QATSOJGNSA-N 471.539 0.366 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1778967544 LLVMIXYCWYBIJE-UWJYYQICSA-N 451.545 0.502 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)[C@@H]1SC(=N)NC1=O 1779017274 JEPNMCSRADFPCE-QWCMNSJKSA-N 450.565 0.090 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)no1 1779064551 DFFNQMHIDKRUPR-QHCPKHFHSA-N 458.515 0.241 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105706 MTZQOUIMGMGCTH-JRRNWLSQSA-N 498.577 0.621 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1779180166 KSJVNZPYUXUUIK-NPMXOYFQSA-N 466.473 0.749 30 20 JCED CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1779377504 UCTUVNZASZVODK-XMSQKQJNSA-N 464.632 0.683 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779397804 ZYVHMKDHIRZFCV-MIZPHKNDSA-N 463.575 0.350 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc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n4cnnn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1784601460 QZYRDLCFXABZES-HOIFWPIMSA-N 475.550 0.630 30 20 JCED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785245629 NWNZAHPFLLZUEY-JOCHJYFZSA-N 463.556 0.727 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1)N1CCN(C)CC1 1785379407 BYLWWMABIDIPIU-DVECYGJZSA-N 455.559 0.403 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1785573296 XWNLMTXOBIDJTC-HOIFWPIMSA-N 485.603 0.414 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]32)c(O)n1 1785774288 YNIXTAHOZUDXNR-QZHFEQFPSA-N 460.531 0.562 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1)c1ccccc1 1786890832 HFZZRWCRFKQLLD-PPGORRQASA-N 454.571 0.756 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)nc1 1788629824 GFQCUEWPJITEFK-CUWPLCDZSA-N 489.594 0.777 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1788705948 GLXKXZAAMLSPMW-MWUWBQKZSA-N 480.500 0.899 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NO[C@@H](c3ccccc3)C1)C2 1792489056 BRQKGVDFFSTLGL-MJRBERDRSA-N 452.511 0.952 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793087415 CZJRWHGEJKOGFJ-ZMMAXQRCSA-N 483.562 0.361 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)[C@@H](O)C1 1795408467 BPISRHMEUJHOBW-UDMSYCLOSA-N 476.574 0.888 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/C(=O)c2cccs2)C3)CC1 1797306386 CADPDMJACFQZTI-WZEMGFAMSA-N 474.583 0.241 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)c1 1797781095 YFXDYGFTTMIGDZ-RMFSNUHRSA-N 475.567 0.387 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc(-n2cccn2)nc1 1798213003 OLPCEEJAYBOOPL-UAEVFREFSA-N 468.514 1.000 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C 1799385980 ZDUSWZFLFDKFRE-LBFCPWMRSA-N 476.574 0.361 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800525493 KOQJBRSLTFIGRC-OUUKCGNVSA-N 484.553 0.583 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801069577 MDLMSIUNHYMBLM-IPLXSBJHSA-N 478.590 0.962 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1802125680 NAIGDTREEMWOEO-MVJTYMMSSA-N 486.525 0.930 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1802127165 QTKHVRGWUFEPQI-QLCXLMDBSA-N 462.547 0.019 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)C2 1802159039 UDEJVZLIRUQQTK-UFZBXBPUSA-N 488.585 0.363 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1804188793 VJTMOKYIRVGSSN-YZAJHNDGSA-N 452.471 0.351 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1810331445 ONOHXEBNTSEQJM-UEXGIBASSA-N 467.526 0.384 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]3c3cccnc3)c2c1 1812069586 FWFADJUHSPFMKT-NRJQMVOHSA-N 474.525 0.742 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879959 LJMJYGWHFVPULA-RDPSFJRHSA-N 491.541 0.262 30 20 JCED C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)[nH]n1 1815200239 NRNWSXAJHIZMQM-DOTOQJQBSA-N 451.549 0.866 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817270782 OIHVQLLUSDDABM-KBPBESRZSA-N 454.574 0.519 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnoc1)CCN2C(=O)OCc1ccccc1 1829064084 IMLSMPYKHFFVTC-QHCPKHFHSA-N 466.450 0.828 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1829762379 INQPUWRJZLQWEZ-WNWNSBFKSA-N 467.526 0.192 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1829770000 BENYBEBSEKVBLO-XBKFQHLESA-N 457.531 0.076 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064897 YJDAWLIYIASXJQ-HJPURHCSSA-N 496.561 0.449 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456201 FLOBHLNNWWCNQC-ZJSXRUAMSA-N 456.543 0.862 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)C1 1830715809 RGXUITPSVUIFMR-PQESEWCPSA-N 461.515 0.744 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885317 BJEHPSPHPWJVRC-WZONZLPQSA-N 467.563 0.522 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCO2 1831109472 IXLDZLRCUZUQGF-GJZUVCINSA-N 465.550 0.905 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)CCO2)C1 1831249019 KAKPGFPKRDTDDS-ZHRMCQFGSA-N 455.511 0.674 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1)c1ccc(O)cc1 1831280504 DJBGWKMWGVBGRR-CYFREDJKSA-N 457.527 0.482 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(Br)cn3)C2)C1 1831387870 RXMYXEWWSSOOFS-HRAATJIYSA-N 480.359 0.881 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1831396680 PHPOLBSTFLJLIB-FUAKANCLSA-N 453.495 0.517 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1831427723 YWEKPIBQQSJBDL-MWTRTKDXSA-N 459.499 0.679 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1c(F)ccc(F)c1F)CCO2 1832071303 CXBVKIPLRQUFAS-UZQCKINESA-N 481.471 0.961 30 20 JCED O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccc[nH]1 1832878748 IWSMOLPTWORYIA-TYSMQSSWSA-N 491.545 0.120 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1cccs1 1833031902 RKQWQKKBQJLWJG-REWVYZQPSA-N 494.570 0.463 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1cc2n(n1)CCNC2=O 1834326278 ODULJQCVTQFBKN-YZSQISJMSA-N 484.605 0.283 30 20 JCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1834532563 JFUJKAJBLSIYRN-HSZRJFAPSA-N 467.482 0.506 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COC)CCO2)C1 1834975095 VXXBVWFOSBQFSI-MBSDFSHPSA-N 467.563 0.786 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C(C)(C)C)c3)C2)C1 1835673041 SHXUITRPNPFITI-HSZRJFAPSA-N 460.579 0.990 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836100012 WRRNISRAJFLLJA-KRWDZBQOSA-N 466.542 0.313 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836305523 KBZZEFFQTOLLQV-OPAMFIHVSA-N 476.534 0.100 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837135360 GBFMSNSFZLSAOV-XMMPIXPASA-N 471.510 0.874 30 20 JCED COc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1F 1837440893 FNBOTZXAIAOPLD-WUKOTQDVSA-N 463.510 0.771 30 20 JCED O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837446925 KQWLIWKSOBIHMH-DYFZPZMNSA-N 488.541 0.745 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)C1(O)CCC1 1837525862 QGFGVBADFCXUBM-VWFYRTMBSA-N 453.536 0.523 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837531521 OTQROXXGDWXIIW-PVHRDILVSA-N 477.558 0.670 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1)c1ccccc1 1837614724 VPRXDDMNSJBXQB-SQHAQQRYSA-N 482.625 0.887 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c1 1838580522 HNYYCYHOJVDGFU-QHCPKHFHSA-N 468.466 0.350 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(C)C)nn1CC)CCO2 1838808845 PDTJEAZFSIDBQO-IBLIISRWSA-N 473.574 0.955 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccccc4C(N)=O)C3)C2)c(C#N)c1 1839132252 BIXDEHFHCZGDHB-SANMLTNESA-N 492.532 0.978 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1839175219 VRXGWHMVHVIFKQ-HXUWFJFHSA-N 456.446 0.858 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191815 OFPLVUXAYVVDTI-DQMJNTIXSA-N 495.573 0.165 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)cc1 1839779898 SJJFWTVRSMPBHT-OFNKIYASSA-N 475.567 0.524 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1)C(F)(F)F 1839893178 NYRQSHRNFZKKKM-GOSISDBHSA-N 460.409 0.887 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1)C(F)(F)F 1839893571 CCTVZNJXDZKQCG-LJQANCHMSA-N 469.420 0.520 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)C2)C1 1840043779 UIKNRUZCRUKZLB-QHCPKHFHSA-N 455.467 0.193 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1)c1ccc(O)cc1 1840219359 KJLFTWKUAPSHQI-AOUJKTHWSA-N 471.554 0.857 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840597513 QGLLVVFPYBSJFL-KOSHJBKYSA-N 479.574 0.665 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840771548 DXBUXSWALQTBJU-BVZFJXPGSA-N 498.536 0.987 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1840819515 OGYTWGVTEVHGAT-DEOSSOPVSA-N 476.493 0.750 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C1)CCC2 1840820408 NQXIECKEPUIEOA-VWLOTQADSA-N 479.537 0.929 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NCc3ccc(OC)cc3)C2)C1 1840844343 QBYPATPUVPNYQC-RUZDIDTESA-N 471.554 0.961 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)CCO2)C1 1840856204 IGHDGAZTIBCGDA-MOADCYBESA-N 491.560 0.920 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3C)C2)C1 1840907239 RPHJGDBYIOMNJK-FDDCHVKYSA-N 476.530 0.970 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C(C)=O)C2)C1 1840907257 SJZSTFTUCSFMDY-MHECFPHRSA-N 479.574 0.975 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ncnn2C)C1 1842342148 PKSWEJBOPFVCFG-OAHLLOKOSA-N 491.549 0.438 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842807607 VRCUKCHWCZCTKL-OAHLLOKOSA-N 461.567 0.650 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1)C(C)(C)S 1842881577 DVNMYSRWLMVHDK-DZGCQCFKSA-N 471.624 0.384 30 20 JCED CCn1cc(C#N)c(=O)n(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)c1=O 31794615 NSZVFRSSPXKAON-UHFFFAOYSA-N 472.527 0.340 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 32684352 CHQZDTSVHRNJDL-UHFFFAOYSA-N 453.480 0.095 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)cc1C 502061512 ASTARELHNCTZDI-INIZCTEOSA-N 451.552 0.904 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(C)C 515922801 JIWWRBROSPNKBK-UHFFFAOYSA-N 463.581 0.235 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc4c(c3)CCO4)c2=O)CC1 516371531 ZOJJQOSKSQUNAB-UHFFFAOYSA-N 450.564 0.893 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)nc1 520484457 NEQWTHGUOOPFDF-UHFFFAOYSA-N 491.552 0.303 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 523464615 MFLOQDGJATUSGS-UHFFFAOYSA-N 463.581 0.377 30 20 JCED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 603555914 NYOPQOHJTHNSOW-UHFFFAOYSA-N 477.952 0.067 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(OC)nc1 608884373 YSRVKUBUKKJNRJ-UHFFFAOYSA-N 481.490 0.476 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 726597328 HLNOWYBDEVWXGM-AEFFLSMTSA-N 482.628 0.471 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)CC1 728686693 WIBOAWCSRYPLLH-UHFFFAOYSA-N 489.642 0.945 30 20 JCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c1=O 729673432 PGEWRMCMLFHLNO-UHFFFAOYSA-N 453.611 0.600 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 749827590 OKRWSHXLMIEAOZ-UHFFFAOYSA-N 468.539 0.817 30 20 JCED COc1cc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCC(=O)N(C)C 915651429 MVIVLAFOOVSBQV-UHFFFAOYSA-N 460.512 0.517 30 20 JCED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 916889208 LXGXTYSVPOFDRC-CYBMUJFWSA-N 474.333 0.555 30 20 JCED CC(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1303168329 XLCUXSJEYBLCMB-SFHVURJKSA-N 474.591 0.860 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)NC2CC2)CC1 1303942106 LOMNRRZODVVYPL-QGZVFWFLSA-N 479.607 0.800 30 20 JCED Cc1nn(C)c(N2CCN([C@H](C)C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 1307693000 RJLMJDVUCOMQPI-GDBMZVCRSA-N 459.576 0.636 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 1503679537 QXJMWWXFVDJPQA-GCJKJVERSA-N 473.603 0.649 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1 1508423900 JJBLTYCOGTZUHQ-CLCXKQKWSA-N 452.537 0.708 30 20 JCED C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N1CCOCC1 1510035916 SZOJFQBACKRQBU-SFHVURJKSA-N 453.547 0.832 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1515558509 NDSIHABURKLEOM-RUZDIDTESA-N 480.617 0.874 30 20 JCED C[S@@](=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1519626472 JBPOIAXOYGVHME-PEGYKEAPSA-N 456.594 0.262 30 20 JCED CCCN(CC)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1547121310 PPMALZPUABBBMO-IAGOWNOFSA-N 455.585 0.072 30 20 JCED N#CCOc1cccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 1563446582 MFLUVQNOBOEGFQ-UHFFFAOYSA-N 458.544 0.935 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1693953758 ZRPXKPZALPUZSC-ILRDRHFLSA-N 458.560 0.850 30 20 JCED COC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1697092167 DIJYKHZHWAGAEC-IRXDYDNUSA-N 467.596 0.213 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1N1CCOCC1 1751224916 UFRRVDZNXDQLDS-FOIQADDNSA-N 478.554 0.610 30 20 JCED CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)S(C)(=O)=O 1766869314 ZYJNSFAAZZYZHJ-HXUWFJFHSA-N 489.602 0.830 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1778096137 VVIRZYUDLDSXOM-IMXCTAJXSA-N 474.539 0.599 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778851677 XOIKJXXAESZSKL-QRQCRPRQSA-N 475.550 0.066 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1778971095 HIOPWOBWUWCQSE-UWJYYQICSA-N 457.593 0.061 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2)C1 1778975309 GEFDVZQMKNGXIS-WOGXIUBCSA-N 497.589 0.846 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1779364494 ZIDVNNSNUJNXQZ-KMDCIRQPSA-N 488.545 0.742 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(c4ccccn4)CC3)C2)C1 1780955674 GILQAYFGGFYCFO-CVUHLLMESA-N 467.570 0.986 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1781859507 IXSLXAXOUJKFAZ-VMWUGYOQSA-N 456.499 0.445 30 20 JCED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1783163225 PQROWQLPUSJKPZ-CJFMBICVSA-N 467.570 0.949 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)NC(=O)OC(C)(C)C 1783783954 JHAWIMHEUKFKLL-HXOBKFHXSA-N 463.531 0.686 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783983527 OYFBIXNZJZXMEJ-IBGZPJMESA-N 454.405 0.445 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1785370419 WRFJXUHTLRIKJI-XZOQPEGZSA-N 462.547 0.882 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)no1 1785380082 NGEKSSVMIHIIGR-QHCPKHFHSA-N 467.482 0.493 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1)c1ccc(O)cc1 1786900134 YKHSFNXSORYFMD-DKBNTXJOSA-N 471.554 0.932 30 20 JCED O=C(COC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1788531755 LFGXBSWXLKWJQI-BIFQHNFYSA-N 465.425 0.601 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)N4CCOCC4)[C@H]3C2)c1 1788646679 ZKYLRZGGOQCKRT-CIEVZJJWSA-N 456.543 0.121 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1 1790843869 OOXRFQAJEYVFBL-FJIDUMEYSA-N 452.552 0.572 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21)NC(=O)OC(C)(C)C 1792110103 KIMFJYKKUKYURY-MHORFTMASA-N 477.566 0.512 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1793313667 CIDOMUXGYSVBTE-NYYTWLDWSA-N 466.535 0.157 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2 1793340497 XREBGLCMYLEPCB-JJYSZZJESA-N 453.539 0.663 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C2 1793592716 PVKFCJJKHISSFG-QLCXLMDBSA-N 466.579 0.960 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794011462 FQSWOFIUMUEHHD-MHORFTMASA-N 489.573 0.873 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795968474 FQOWQUARSUJOKN-MNDZRTMASA-N 488.614 0.724 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2)c1ccccc1 1797872771 CQJVQNDUUFBODV-JTOYRKQZSA-N 487.622 0.504 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2CC(O)C2)C3)CC1 1799236424 RBPSCDIFLULHEZ-GKHYGCEVSA-N 476.574 0.888 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2)c1ccc(O)cc1 1801056094 WYHRGOSBVKHXEC-CROMWVBPSA-N 455.511 0.931 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801987698 DDJPZUFJDKHRHJ-TURABVPUSA-N 463.531 0.721 30 20 JCED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1803453990 KOPZLNBWZBJQPA-VLVHOKLOSA-N 495.605 0.681 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812873166 KGWJFYFCMHDEHZ-UEXGIBASSA-N 486.525 0.811 30 20 JCED NC(=O)c1nccnc1C(=O)N[C@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819845941 NZUQXQASRSRYMH-ZDUSSCGKSA-N 468.539 0.956 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827994634 QHPLOYOAPAUGHH-SWLSCSKDSA-N 461.544 0.899 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCOCC3)C2)C1 1828806291 OZSJUWCDOCNPJP-XMMPIXPASA-N 469.542 0.684 30 20 JCED C=CCC(F)(F)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829311449 SQTZNWZLJYJQTJ-OAQYLSRUSA-N 467.469 0.961 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccc(OC)cc3)C2)C1 1829762426 KAFWOHJYMDQFRR-IKHHBBACSA-N 473.526 0.043 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830050510 LWHMLBVIIMYOPY-ZHRRBRCNSA-N 468.551 0.268 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1831492589 MTHMPTGHIZAKAK-BLLLJJGKSA-N 451.471 0.848 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)c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c1ccc(C(F)(F)F)cn1)CCO2 1833006413 DPTONKKEYLRXLV-HXUWFJFHSA-N 469.416 0.577 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)cco2)CCO3)c1 1834606187 LGNNRPOKRJDQGO-HSZRJFAPSA-N 453.451 0.904 30 20 JCED Cc1nc(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)c(=O)[nH]c1C 1834715700 ZQKIXFAZBWTLDA-UHFFFAOYSA-N 471.606 0.854 30 20 JCED N#Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)Cn4cnnn4)CC3)CC2)cc1 1834874290 TZZSNNRDMQTBTQ-UHFFFAOYSA-N 450.547 0.749 30 20 JCED CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1834943257 IIOBJIFAJCPWMT-HXUWFJFHSA-N 465.348 0.952 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1834944691 LRBPQPFLTUGWPT-YADARESESA-N 480.606 0.701 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1835100167 DPWKTAHNEYFXHJ-DEOSSOPVSA-N 478.530 0.878 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835120071 MPSXGOLELSCXTL-ODIYJBSKSA-N 490.626 0.709 30 20 JCED C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674760 LWMGBXNTYWQHCV-JPYJTQIMSA-N 458.563 0.620 30 20 JCED Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(C(F)F)n1 1835676936 GFRHMBPUKDTDPP-NRFANRHFSA-N 468.505 0.710 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)ccc1F 1836128284 IHWQNTJDSTUNJM-XMMPIXPASA-N 484.484 0.719 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836174149 GEQINCWVSRBVPD-PUZWTLIVSA-N 489.573 0.809 30 20 JCED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc2c1-c1ncccc1OC2 1836262389 HIOZRLHPQGJVPF-DEOSSOPVSA-N 480.477 0.138 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1837393643 XWDATSGUCHENMY-XFAGBWLFSA-N 499.605 0.292 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837491085 UQIHBSSEWZCPNB-HSBZUZAYSA-N 477.558 0.670 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1837528191 AQVKLJFUNPJDBG-XCUVTCGESA-N 471.514 0.933 30 20 JCED Cn1cc(F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528198 AXNKLHSIZUYDFW-MKNUTXPLSA-N 452.483 0.763 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1cc(C)on1)CCO2 1837544427 AWOHPOYTRWBZFX-QFIPXVFZSA-N 464.519 0.152 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837837438 CEOXCAACEAEJBO-CHKZVEJASA-N 467.910 0.729 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837918754 WOQQCMBRRQFRIF-UHFFFAOYSA-N 496.568 0.728 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)cc(OC)c4)CCO3)C2)n1 1838581571 ACYKENRWYCXZQH-XMMPIXPASA-N 483.525 0.794 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)nn1 1838830155 LNLNJJUXMLMOLP-XMMPIXPASA-N 450.495 0.997 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1839175437 JASZQLUXBHWXMG-XMMPIXPASA-N 483.525 0.847 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1839225870 WYLVSFRNVHKQBL-HJPURHCSSA-N 473.530 0.926 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839372583 JFRLFEHPOXXMJB-XMMPIXPASA-N 474.510 0.572 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ccoc3cn1)CCO2 1839483673 MYLFMHFLUUVOQY-XXGSHBOYSA-N 454.483 0.756 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839988003 QKBBVMHEZJJJHV-DXLWNWQMSA-N 484.550 0.497 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840008313 FPFVBSONOSGQQA-UQBPGWFLSA-N 491.585 0.882 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1840293245 ODMPYWBFXIRNGQ-OAQYLSRUSA-N 455.577 0.062 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1)NC(=O)OC(C)(C)C 1840796924 SXFZWFGZOQQBQT-HXOBKFHXSA-N 498.577 0.658 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840818718 UERFGVUMYQZUSF-QFIPXVFZSA-N 453.455 0.203 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)C1 1840841464 AQVPIJGLXKMLHN-XMMPIXPASA-N 482.541 0.049 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840856017 BGUITQQLXPMZDA-RDGATRHJSA-N 471.529 0.743 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1840909432 ZLQSPHRCCKHHNZ-DVECYGJZSA-N 488.541 0.774 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1841475781 DDPSPWYNHUIOIR-OALUTQOASA-N 470.574 0.483 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 46899133 YAYNWWGCDIXKCV-UHFFFAOYSA-N 492.535 0.914 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)cc2)c1=O 489094577 MPYXWUWNFQYDBB-UHFFFAOYSA-N 454.596 0.970 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(CC2CCCCC2)c1=O 503968241 KPTQSCJXRLZJGG-UHFFFAOYSA-N 484.626 0.175 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(N)=O 524281275 ONGMTVVDRUGLJC-UHFFFAOYSA-N 483.377 0.748 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1CC(N)=O 524281308 QADZWWVJLIZVMX-UHFFFAOYSA-N 450.545 0.905 30 20 JCED CCc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccncc3)c2=O)cc1 603790956 JACFSSUOJGNYEY-UHFFFAOYSA-N 489.601 0.808 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 604422293 SPROBMJXDDCLPI-UHFFFAOYSA-N 498.565 0.946 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCNS(C)(=O)=O 727163752 HRUAATYTZJAUEV-UHFFFAOYSA-N 465.601 0.139 30 20 JCED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)CC1 729056163 DZDCOKQEHKPMFM-UHFFFAOYSA-N 465.514 0.415 30 20 JCED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)Nc1ccc(F)c(F)c1 749274188 AZYHFJAJPHWJSW-UHFFFAOYSA-N 480.449 0.692 30 20 JCED C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 794728988 RMNAJGJSTLPHCP-UHFFFAOYSA-N 456.455 0.953 30 20 JCED N#Cc1ccc(OCC(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)cc1 827574924 JEHAGJODDYQCGE-UHFFFAOYSA-N 473.507 0.818 30 20 JCED C#Cc1cccc(NC(=O)CN(C)C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)c1 917158907 CNJOSQSZHGUQPN-UHFFFAOYSA-N 458.540 0.957 30 20 JCED CNC(=O)[C@H](NC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 918818967 ZJDHTDCLHFHHBI-LJQANCHMSA-N 458.496 0.262 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)CCO1 1286948053 UQWBJAWEOQQLPZ-FQEVSTJZSA-N 483.529 0.912 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1466973869 USGMKZNDOYYPQC-ZBFHGGJFSA-N 452.533 0.977 30 20 JCED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 1517411717 WIUFIUGKFBMHKZ-JOCHJYFZSA-N 489.602 0.313 30 20 JCED Cn1c(O)nc(N2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)cc1=O 1647909565 JENJMSXMOMMJNS-UONOGXRCSA-N 456.890 0.759 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)C1 1690809825 OHYVGAQTUWXHOQ-PMACEKPBSA-N 493.634 1.000 30 20 JCED CCCNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1709832758 WOYXTCIQNDISLJ-QGZVFWFLSA-N 451.535 0.739 30 20 JCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCCC2)CCO1 1750388848 TWQMBJQLOMVCEA-IRXDYDNUSA-N 450.565 0.702 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1751232982 WHKPPOYBLVRAOA-AEFFLSMTSA-N 492.650 0.713 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1763203969 IKGHKXAAJPGJKJ-AEFFLSMTSA-N 457.560 0.813 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779397353 DVRZRPWXAPOPBZ-XMSQKQJNSA-N 464.632 0.683 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780203670 NSASISDUSRQYJK-IVZQSRNASA-N 472.502 0.923 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1780809377 VMRKCTPAARLZHP-XFGYDDDFSA-N 451.612 0.937 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2ccncc2=O)CCO3)c(C#N)c1 1781176362 JIWSVGKBFUEQQZ-HSZRJFAPSA-N 451.483 0.196 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1781294303 KAQJSZZUYDHWAS-NBGIEHNGSA-N 493.649 0.923 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1781296718 UNWQJRSLPMLROK-OPAMFIHVSA-N 452.552 0.941 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@]4(C3)CN(C(=O)[C@H](C)S)CCO4)c2n1 1782885730 KLXAAQUKFFAOSJ-ZSEKCTLFSA-N 491.574 0.275 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnc3cc(Br)ccc3c1=O)CCO2 1783046988 USRDRKVIUOFYTK-HXUWFJFHSA-N 459.300 0.622 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCNC5=O)C[C@@H]32)cc1 1783440048 PKAQSOIGBRCQNP-IPJJNNNSSA-N 476.537 0.724 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561703 HEEQLSPAHMKXPZ-LRAJWGHMSA-N 453.467 0.252 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)CCO2 1783901247 WTNQNLHKGDQBTC-ZMMDUFCOSA-N 496.630 0.508 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@H](C)NC=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784094361 WOPKAQXVKPKFLB-HOIFWPIMSA-N 450.536 0.516 30 20 JCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1785020736 MAIQIBFZKJJBEB-QAETUUGQSA-N 484.619 0.654 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1785540325 XAFIZMQFTNRRPQ-OAQYLSRUSA-N 458.565 0.791 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1785572053 HHQVOUKLHLHVMK-OSPHWJPCSA-N 472.542 0.745 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C[C@@H]21 1786859226 YFUWTWULFQQJOI-ZVVDCOBXSA-N 469.542 0.983 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1789809441 IVOJBKFQKCFLDB-ROIMOXLHSA-N 457.593 0.512 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)C=C)C[C@@H]21 1792257293 SRVYAWOHOMWQSJ-FKSLSLAPSA-N 476.574 0.573 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccccc1)C2 1792484786 QPYLPWROMIIBTI-HBRMZTAFSA-N 466.538 0.307 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccco1 1792519672 DGELUECZOWRKFA-JZFYCYHFSA-N 461.515 0.819 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1792795422 LZIGBZVTTRPXBC-KRVVFRQQSA-N 482.603 0.542 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792897435 KNPGNEAUMIERDW-FCGDIQPGSA-N 472.542 0.943 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)C1 1793257388 IEVJXODDUOKJHV-JFQQFOBUSA-N 473.570 0.873 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1793347943 QYAKXATVZBXQPC-QTQYAOCESA-N 455.555 0.250 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1793354430 VKUJQCKKEGJBSK-LPVBTYDRSA-N 459.543 0.347 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1793595982 VEAMRGSZJBKYDZ-JYYAWHABSA-N 459.565 0.090 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)c(O)n1 1796421706 COGVJEIROMWAIH-GNNCWXLZSA-N 487.582 0.911 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797810376 QFEMGYOKIJUVAX-MUDMKHIHSA-N 498.577 0.381 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2 1799232607 SGQJZFCDERTBMK-UJWQCDCRSA-N 464.563 0.407 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C\C(=O)NC2CC2)C3)c(C#N)c1 1799239648 FBRMCQVRAOTSQX-JINAQJPASA-N 452.511 0.534 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Cn2cncn2)C3)c(C#N)c1 1799240037 WSHZWXYLXQZPDS-HCBXPFHNSA-N 452.515 0.627 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(N)=O 1799627905 STVZXMWGPCLFBO-JSJNYSNDSA-N 484.553 0.905 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)O2)C3)ccc1Br 1799708186 BSDWZFGVAUYJIF-XRGAULLZSA-N 463.288 0.632 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1cccnc1 1800773881 LCNIIQYPCSXZMH-WOUAJJJCSA-N 472.498 0.325 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccnn1)C2 1802127454 GSNWSOLUHRCUMG-AVEIZBFRSA-N 460.535 0.345 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1802957872 HTAIPIYFVPHSST-OZXSUGGESA-N 479.581 0.878 30 20 JCED O=C(NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807353198 INSJLDKTRICFCG-LCHNKNJHSA-N 477.529 0.604 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1811536937 YENKSQMSBGWNDW-KBXCAEBGSA-N 458.442 0.041 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1812350905 HQYJYHALXKGQBV-UTKZUKDTSA-N 467.530 0.944 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN(CCO)CCO)[nH]n2)c1 1820208374 FIHPVSDPILPEIO-HXUWFJFHSA-N 470.530 0.882 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNC(N)=O)CC2 1828286441 IXYALJKHOBGXAY-AAEUAGOBSA-N 464.548 0.640 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(N4CCCC4)ccn3)C2)C1 1829766439 ZDNJPYVCPKLOEC-ASYDGFSTSA-N 483.569 0.610 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1829770594 ZTCPERINMABZPH-VKUXZERMSA-N 450.442 0.288 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2)C1 1831133065 PLCCLJXXUURXJO-CYFREDJKSA-N 497.589 0.413 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1831399147 PYYBTUYUYXJEMK-NLFFAJNJSA-N 471.554 0.632 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(Cc4ccccn4)CC3)CCO2)C1 1833108846 MKPJBSDEVZOOLP-RLWLMLJZSA-N 484.597 0.788 30 20 JCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1 1833148806 BAWZXGBCSRALDO-UHFFFAOYSA-N 458.519 0.878 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833272323 JHHAPRQMPJGJCC-HXUWFJFHSA-N 488.589 0.957 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833618752 BMRGIKJSVRCNIJ-GOSISDBHSA-N 462.547 0.655 30 20 JCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cn1 1834524886 BMWYOLAKRAWJME-QHCPKHFHSA-N 451.483 0.670 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)=O)CCO2)C1 1834725931 IZEOMHZCGZQGSP-NPFVIJTESA-N 451.520 0.501 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1835185847 SVGRUYHZWDHJTN-JOCHJYFZSA-N 461.540 0.529 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835358939 NPALIMAJAOGLCN-IERDGZPVSA-N 454.524 0.022 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)CC1 1835717706 GVCOWMLWJDEHCK-MBSDFSHPSA-N 453.580 0.747 30 20 JCED N#Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)N4CCOCC4)CC3)CC2)cc1 1835759230 JIUSTAPAEKMJFB-SANMLTNESA-N 483.613 0.713 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)c(C(F)(F)F)n1 1836321981 TZGMDSYOXOWDCS-MGPUTAFESA-N 481.431 0.321 30 20 JCED CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836322072 YYDUGNKCOYCSIZ-IBGZPJMESA-N 455.437 0.604 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn4cccnc24)CCO3)c(C#N)c1 1836848854 WQWUWOBUXHPZLJ-RUZDIDTESA-N 490.520 0.922 30 20 JCED O=C1COc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cc2N1 1837562698 CGFUJPVVFWLTKL-OPSZGJHISA-N 482.493 0.800 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1838357747 LJJLZBDSMOWAAL-NRFANRHFSA-N 479.574 0.748 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1838569282 XAEHYLSSYCAKCV-DEOSSOPVSA-N 458.511 0.709 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)c1 1838905412 FAAWFWFYSBHWCC-NRFANRHFSA-N 454.443 0.433 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)CC1 1838906052 NNNYXJBWYVWTTG-DEOSSOPVSA-N 455.559 0.266 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)[C@H]1SC(=N)NC1=O 1838950985 RANBXXMKJQFPBP-WTBBCNCBSA-N 471.539 0.431 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(C#N)cc5)CCO4)C3)CC2)CC1 1838953168 SLSXFDOPCPWUGU-XMMPIXPASA-N 467.570 0.408 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1839130735 QTBJMEDPCRCFMQ-CYFREDJKSA-N 497.589 0.149 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccncc4O)C3)C2)c(C#N)c1 1839132909 SRUXZQJVOYFHDL-XMMPIXPASA-N 466.494 0.980 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)ccc1F 1839187920 DWEMWZVKSMQUKB-KNQAVFIVSA-N 479.530 0.273 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1839739186 UIVDZMDASHRZQG-OAVHHTNSSA-N 462.494 0.918 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1839889181 HFFOHMFWLDGIQK-FQEVSTJZSA-N 463.441 0.371 30 20 JCED COc1ccc(COCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1840253271 ASHAJBRGDHIJTM-VWLOTQADSA-N 488.585 0.950 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)OC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1840322620 NXCPKPOEMLYGPO-GAJHUEQPSA-N 496.561 0.364 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3c[nH]c4ncccc34)CCO2)C1 1840869884 YMRWFJQCLBFIQW-KOSHJBKYSA-N 454.527 0.990 30 20 JCED C[C@@H]1[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCN1C(=O)OC(C)(C)C 1840963229 VUBBVDHUSQKQLC-QZMQVMSPSA-N 479.530 0.176 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1=O 510222960 NDDSEXAPOMZIQY-KBPBESRZSA-N 464.500 0.400 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OC)c2)c1=O 603792399 CWWSPCNZPZJXOG-UHFFFAOYSA-N 454.552 0.056 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COCC(=O)N3Cc3ccccc3)CC2)cc1 608895548 RYVAPIVCRWZZCS-OAQYLSRUSA-N 468.535 0.819 30 20 JCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cnc21 609134224 KZWFLRGUPSRTNX-UHFFFAOYSA-N 457.472 0.282 30 20 JCED NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC#Cc3ccccc3)CC2)cc1 643646591 XZONSPXXHZOJEB-UHFFFAOYSA-N 461.565 0.903 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCCN2CCN(c3ncccn3)CC2)c1 729377831 OUNWQOZJTVNGIN-UHFFFAOYSA-N 456.572 0.720 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCS(C)(=O)=O 729671077 GHRQFHTVDANPSG-UHFFFAOYSA-N 459.593 0.685 30 20 JCED C#Cc1cccc(N(CC(=O)NC)C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)c1 746276244 WTJWMYNMFUYUDG-UHFFFAOYSA-N 458.540 0.639 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)[C@@H](C)Oc4ccccc43)CC2)o1 915384481 TZLAREYAKXUMBE-CQSZACIVSA-N 453.455 0.861 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)c1 917275294 RQEXSVPQOKICAK-UHFFFAOYSA-N 465.553 0.453 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)C(N)=O)c1 918280733 KEJAEFYFCPZCME-LFVJCYFKSA-N 451.549 0.846 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 919319170 UOKKFSJYFJOXPW-UHFFFAOYSA-N 477.520 0.253 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315070406 PXNRMMSUTYDKTC-UHFFFAOYSA-N 467.559 0.791 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCOC1=O 1509958493 ZKAQZBIGIWSGSV-HUUCEWRRSA-N 455.541 0.192 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541138413 WPIPJLSEUOCZAD-WBVHZDCISA-N 463.608 0.519 30 20 JCED COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1555211045 UIXUBUJMJADYPM-HXUWFJFHSA-N 470.530 0.876 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](N1CCOCC1)C(F)(F)F 1611659193 NQPCCMBGVMMGKG-RDBSUJKOSA-N 467.518 0.890 30 20 JCED CN(C)C(=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCCC1 1617568567 QCYQFRWKZZDBRY-GOSISDBHSA-N 493.634 1.000 30 20 JCED COC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1618887531 DPFMVAFMEWGXGJ-CRAIPNDOSA-N 494.622 0.543 30 20 JCED N#Cc1ccc(N2CCC[C@H](NC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2=O)cc1 1633898326 ZTSRCUCSEBYCRI-SFTDATJTSA-N 453.543 0.883 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)C1 1705975244 RADLSTOWUYZMMN-NJAFHUGGSA-N 467.596 0.465 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1706078292 VOHHBYRUJULIQM-RDJZCZTQSA-N 462.580 0.716 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1764696942 IRAHPKMDMAWRSG-IBGZPJMESA-N 455.519 0.548 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1766958870 UWMVKYTTWGFDPG-GOSISDBHSA-N 458.544 0.689 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)CC2)CC1 1778319953 ILAYVJGLGRCUBY-UZUQRXQVSA-N 466.648 0.858 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc6n(n5)CCCNC6=O)C4)C3)c2c1 1778383324 LAXQVRDXUBUFJK-XMMPIXPASA-N 488.508 0.522 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C3)C2)c1 1779076383 ZCGAWEBTYFSHQW-NFBKMPQASA-N 473.482 0.505 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779874336 YVHSXYSDTNDKLS-IQMFZBJNSA-N 488.545 0.488 30 20 JCED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc4n(n2)CCCNC4=O)C3)CCC1 1783126755 BMWXKLGJNDMISL-WZONZLPQSA-N 454.531 0.838 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C[C@@H]21 1783531305 OJMOBPMFQMTEJT-SWLRZZBJSA-N 493.605 0.067 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)CCO2)C1 1783900013 JDNWRLKIYHGMBU-BTYIYWSLSA-N 470.592 0.214 30 20 JCED CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785599197 BETHUFOUEYOUHC-VPKVUBIPSA-N 451.520 0.844 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786698579 VVIFJHJTHZREMH-ULQDDVLXSA-N 450.536 0.811 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4nc(N)n[nH]4)C[C@@H]32)c(C(F)(F)F)n1 1787199735 ZBMOCHKRSLNWII-CQDKDKBSSA-N 492.462 0.898 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1788639166 HGARPFVJKGJZLV-TUFLPTIASA-N 457.483 0.646 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4C(=O)C=CC4=O)C[C@@H]32)c1 1790269174 ZLIJWRKZDAJAQD-IHPCNDPISA-N 450.495 0.775 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790751183 SAWPLQJQSGHLPR-QXCZDIPSSA-N 497.614 0.460 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cc(Br)ccc4n3)C[C@@H]21 1791076949 RFVBRRCSNYCXAY-NOLJZWGESA-N 475.299 0.778 30 20 JCED COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1791134481 ONXHUDNBQUUADP-MUGJNUQGSA-N 457.568 0.837 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21)c1ccc(O)cc1 1791331345 QLCINNPIEJUDNF-FQFSJJOFSA-N 470.570 0.462 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C[C@@H]21 1792258398 CJVQGFAHXNQDKH-BCYZHJNNSA-N 474.562 0.735 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1792491385 RJNJPGFMLGCEMY-MOIYMOCGSA-N 457.483 0.265 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1792794669 DDNVORUMRGTNNF-RLBCXOBBSA-N 477.649 0.556 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cn4c(nc2=O)SCC4)C3)c1 1792833584 GCLCGZUXDAYPDO-JHDGKUDLSA-N 493.589 0.986 30 20 JCED O=C(CCN1C(=O)C=CC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1793611113 LFQDLEKRGMWQQC-PPAUVCFJSA-N 457.508 0.392 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794091472 SYABNUVJNKZNBW-REPLKXPHSA-N 451.589 0.054 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sc3nccnc3c1N)C2 1795598598 LUOQIKNNQZGCHC-AGGWBTHJSA-N 457.560 0.759 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cc1 1795600861 JCSNKXGQUWEVFU-IRJINJETSA-N 499.612 0.963 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H](N)C(N)=O 1796085638 OGBXSRGAHZGOBW-PJVZLEMVSA-N 477.606 0.914 30 20 JCED CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1796449130 VDFRNYJFTISXLE-YYAJDYIMSA-N 481.546 0.372 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797785247 YYIQWGYIQZAUDV-WEMPKCCASA-N 493.601 0.550 30 20 JCED Cn1c(=O)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c2ccccc21 1797812715 ZXILKINOFUFYEQ-OUAMPJJDSA-N 485.541 0.459 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)C1 1797835851 MLQPOBSXYUAZQT-OFHJESTESA-N 490.557 0.924 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[n+]([O-])cc1 1798364665 SQNBNVDUCXLHQP-RDGPPVDQSA-N 458.515 0.440 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(CCO)CCO)cc(C(F)(F)F)c1 1800580083 IIKOLQDOHHZHHV-XEMDLRDOSA-N 484.475 0.067 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1OC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 1800724919 LXMFOILMWUBTSU-IAPNPCGSSA-N 461.559 0.871 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2 1802139855 UTRCTPHHGJUZQW-AJFQYHAUSA-N 495.646 0.529 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1802140910 VULZNZYGBMDWSX-GAATZLIZSA-N 462.547 0.182 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1802480544 CQMQFLNKMPHHKA-ZESPAGQMSA-N 459.503 0.010 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCN2CCN(C)CC2)[C@@H]1c1cccnc1 1806912663 QVGWLAAPQIKKGF-BTOOWLAUSA-N 468.602 0.583 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1810355826 GDWBGRBNMHFKEW-MEKKTQKKSA-N 483.462 0.341 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810355942 GOJPXPWHZXGZTG-LXLMMOOISA-N 460.535 0.209 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(O)nnc3O)cc2)[C@@H]1c1cccnc1 1812877846 QHPKAHFYQWQBJX-OXJNMPFZSA-N 476.449 0.481 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1819769510 ATSYTXNRIYOCLW-CYGNYLSHSA-N 458.544 0.842 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccccc3C(=O)OCCO)sc2C1 1821370366 MHXMXWNLBXSEDK-GFCCVEGCSA-N 457.464 0.606 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1828029796 FABNNGCMAJINGC-BTYIYWSLSA-N 471.539 0.656 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1ccnc1 1828563305 WOKFZRYTJHVFPJ-KBMIEXCESA-N 493.520 0.984 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828811255 XJGCUWXSOLAVLG-RPWUZVMVSA-N 486.525 0.968 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCN2C(=O)OCc2ccccc2)C1 1828877154 CJRBYCOFWYQHBI-HEKZAOSPSA-N 496.564 0.755 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)COCCO)C3)C2)CC1 1828920966 GHKVGAYCCPIRKU-DEOSSOPVSA-N 470.526 0.751 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1828927281 QDZNNUTURXOVJT-NTKDMRAZSA-N 467.526 0.878 30 20 JCED O=C([C@H](O)N1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828976307 UHPXXZMFXMUNRE-BWAJBAPSSA-N 466.579 0.786 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3nccs3)C2)C1 1829766359 UYRXDVGIAGQWNE-BRHJYAGZSA-N 463.560 0.258 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1829860716 FDSZGCCXZXLAQU-FDDCHVKYSA-N 468.514 0.419 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460566 RCUGERJWIBXGFO-HOYKHHGWSA-N 456.543 0.814 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1830574022 VDLOVZBZHMHWRK-LIRRHRJNSA-N 481.468 0.447 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CC1 1831223187 OYDZYBCHZKMHOU-RUZDIDTESA-N 490.601 0.409 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1831427379 REHQXJYHUSNBSG-MHECFPHRSA-N 470.526 0.827 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1831997525 BPPWWDOFVJQXRV-DGGJZMOXSA-N 482.578 0.424 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1832000112 HEKBRBLOIRHDCC-JPYJTQIMSA-N 466.579 0.474 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1832455908 BQEDQFMQUNTTOB-OAQYLSRUSA-N 463.560 0.006 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1832461520 YJYMQPIYIDFSRJ-UMXIMWEHSA-N 489.638 0.997 30 20 JCED CN(C)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1833364629 VSUHVABHONJXND-ALUBYUQESA-N 475.546 0.747 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c(O)n1 1833698947 PWOGCPDNVZDDCM-XMMPIXPASA-N 474.558 0.308 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)cc1 1833766563 QJIVFEMGUAUBNA-IBGZPJMESA-N 452.515 0.342 30 20 JCED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(OC)cc3C#N)CC2)CC1)C(=O)O 1834741610 BGGKYBUUJSXUOZ-JOCHJYFZSA-N 485.585 0.744 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3ccco3)CC2)CC1 1834867499 BWUQRPZFZKFOJZ-WAYWQWQTSA-N 471.558 0.439 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4c(=O)oc5ccccc54)C3)C2)CC1 1835341169 RKJRCMMYCZQAGA-QHCPKHFHSA-N 454.483 0.745 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1835681003 RGSLLVYUULTBQE-JXQFQVJHSA-N 475.590 0.126 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1835710208 MFQKMWVDNIQADS-APWZRJJASA-N 451.612 0.839 30 20 JCED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)n1 1836066233 OTJFBTKUFPMYCP-QHCPKHFHSA-N 453.499 0.881 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836394071 BJAYLYDXKSKDGJ-HPARJBSBSA-N 452.471 0.511 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)N2C[C@H]4C[C@H]4C2)CCO3)c1 1837286339 HIXJVDOEIFKYGP-CCIIEHSASA-N 468.554 0.977 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1837428344 BNXKHPYBFOCAAU-HTAPYJJXSA-N 478.622 0.092 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1837465968 RWIIPFYAOPRZDZ-QFIPXVFZSA-N 482.723 0.978 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1837527115 XJJKRLJPMLIXTK-RXQHMNIESA-N 464.544 0.969 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837529446 USQFDCLLWAJQHW-FFFDHDOLSA-N 486.569 0.686 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C1)CCC2 1837530377 LJWPZJONEOQZAT-XKUSAJHISA-N 475.546 0.508 30 20 JCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1C 1838275721 LUXKBFBZMMCGBK-KHLOOKIASA-N 463.535 0.582 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1Cl 1838599567 LUENLGKYZWEMOP-IBGZPJMESA-N 488.850 0.960 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)N(C)C(=O)OC(C)(C)C 1839075193 GDZHCDZXTNDSFM-HOYKHHGWSA-N 495.621 0.980 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423811 YHFXQPWLEZLGAM-UWJYYQICSA-N 463.922 0.729 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c(C(F)(F)F)n1 1840229959 UWTXGAZVBVUYNL-SZNDQCEHSA-N 495.458 0.568 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840363384 VOUSQEQKOOVBMP-GIYVUFBJSA-N 455.515 0.683 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840434713 DCTIFKCABCHLKW-NTKDMRAZSA-N 467.526 0.926 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840550360 SHFUKGHOYVWHEU-NRFANRHFSA-N 467.519 0.131 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C)n3)C2)C1 1840906374 AEGDEDXLJFPLRA-MHECFPHRSA-N 489.573 0.715 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1840908336 JOFRHVWPPWCVHV-KOSHJBKYSA-N 489.573 0.715 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)COCCOCCNC(=O)OC(C)(C)C)C1 1841434308 VNYCYLUPYAECQF-SFHVURJKSA-N 467.563 0.786 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841892116 VXNUPPDKPXGRFA-HNNXBMFYSA-N 463.535 0.601 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 1843923159 IKWZWPKIZMESIV-YUQDSPFASA-N 452.555 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 1845228778 KHYKQSIQHFNMSC-PTZVLDCSSA-N 450.536 0.324 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1847262037 SUWGNDWIZBHODB-QLRDQERUSA-N 478.546 0.503 30 20 JCED C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2=O 16775879 JTXULYWOQCYKOE-OPAMFIHVSA-N 473.555 0.892 30 20 JCED Cn1c(=O)c2c(ncn2CCC(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n(C)c1=O 28371878 JQGQUQARXFCPDD-UHFFFAOYSA-N 491.426 0.554 30 20 JCED COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 409944783 VDRKQGXPBOHLAR-UHFFFAOYSA-N 492.579 0.898 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)CC2)cc1 512309361 LRBFUZULPGMGHJ-UHFFFAOYSA-N 473.599 0.726 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)cn1 523182576 RZKSBQSFQOTALS-UHFFFAOYSA-N 480.506 0.385 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c1=O 589161836 YCWKNTLGRRIMKN-UHFFFAOYSA-N 463.581 0.586 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)C1=O 726036453 KCGLFDDAMVBHSO-UHFFFAOYSA-N 480.880 0.643 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnc(-c4ccccc4)nc3)c2=O)cn1 726180661 QWYPVMGCVIVDCE-UHFFFAOYSA-N 457.519 0.821 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577605 TXRKDKJTIAHWDM-UHFFFAOYSA-N 478.578 0.979 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2CCOC2=O)c1 728406737 LATUGYNUWSIAMF-CJLVFECKSA-N 451.505 0.396 30 20 JCED CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)OCC(=O)NCC#N 731241243 TUBIMBACKVMBRM-YVEFUNNKSA-N 472.951 0.918 30 20 JCED CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 744919717 IBOSLEHEZTUIAQ-LRJITTQHSA-N 451.549 0.857 30 20 JCED N#C[C@@H](C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1nnc(N2CCOCC2)n1-c1ccccc1 744938729 NGOKCWBGOAKQBY-SFHVURJKSA-N 479.522 0.778 30 20 JCED COCCn1cnc2c1c(=O)n(CC(=O)Nc1cnn(CC#N)c1)c(=O)n2Cc1ccccc1 747434414 VQFXKBMANZEBRM-UHFFFAOYSA-N 462.470 0.413 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)Cc1cccc(C#N)c1 750413156 AJCYNJHITKMDFB-UHFFFAOYSA-N 479.536 0.848 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1OC 916922970 HNLVKYNURHELJJ-GVDBMIGSSA-N 477.539 0.107 30 20 JCED N#Cc1ccc(CSCC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 917261908 CLDZGLCSJXTWMT-SFHVURJKSA-N 451.570 0.666 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917765538 QARLDGSEYGMDMO-UHFFFAOYSA-N 486.642 0.469 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)cc1 918400583 GFONECDYJMPZHO-BWAHOGKJSA-N 471.543 0.577 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3CCO)cc1 918446816 CFMPGUSZVNZQRM-CGDDYCGFSA-N 488.570 0.821 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 919846087 SIWSFXFXVRJDGA-QJOMJCCJSA-N 472.527 0.641 30 20 JCED CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1152663581 KMGZBPBTLKMWPW-OAHLLOKOSA-N 456.590 0.791 30 20 JCED Cc1ccc(NC(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)cc1S(=O)(=O)N(C)C 1193497586 RZXMEVIRGCOCMV-UHFFFAOYSA-N 459.576 0.920 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1288249241 QEJKSAXTXXQNAW-UHFFFAOYSA-N 480.573 0.322 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1297717744 QYAKWXSKWWFLBV-UHFFFAOYSA-N 453.546 0.398 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1303402876 QVILWAAUZMHWHI-SFHVURJKSA-N 486.602 0.977 30 20 JCED N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)CC1 1316538673 PTSSBHZWVPKGLU-MRXNPFEDSA-N 467.621 0.738 30 20 JCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C2 1475199439 KHPJSIBKRRNIFP-UHFFFAOYSA-N 458.422 0.228 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)C1 1508220874 ZWTREMNAROXRLS-VQTJNVASSA-N 493.634 1.000 30 20 JCED COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C(C)=O)CC2)cc1 1518337381 WRKWKDDHUHTGHV-OAQYLSRUSA-N 469.546 0.759 30 20 JCED CCS(=O)(=O)NCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1617395332 IQCDESXYXQYRKI-HXUWFJFHSA-N 477.570 0.833 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1625790897 VCLHOXWCESEZKA-BHYGNILZSA-N 455.558 0.420 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(O)CCN(C)C1 1692544622 VNBJOGNTCRXXGB-JOCHJYFZSA-N 453.551 0.076 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1696632644 METJSSMJEBOJCW-QGZVFWFLSA-N 472.575 0.319 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722556414 QZPLZDQPWMNOIX-OAHLLOKOSA-N 497.043 0.224 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCCO 1741132984 NWPHUNPEYTUKJL-FGTMMUONSA-N 469.612 0.054 30 20 JCED CCC(CC)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)OC 1743974757 MDVSYSZKOHYDEO-CVEARBPZSA-N 456.569 0.545 30 20 JCED CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(C#N)CC1 1748299235 XWWHYVAASNUXEL-UHFFFAOYSA-N 451.578 0.949 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1779402456 PCCGYZJJWOECNB-IPZJKAPMSA-N 477.514 0.707 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)c1 1780182406 PREVCZIFGGJUKA-FOIQADDNSA-N 461.569 0.874 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780594346 VFYRCNUNAXFEJX-FDDCHVKYSA-N 458.515 0.887 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781247391 IQHKGRYJYWGYPR-IUKKYPGJSA-N 464.563 0.648 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782010532 MQTNCUWWMYNPNQ-XMSQKQJNSA-N 462.524 0.371 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783284948 OVQHEGVEZTWSAX-WJONJSRFSA-N 467.567 0.638 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 1783530685 RTTQSFKTDOXSQW-GHQQVDCHSA-N 458.471 0.752 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1)C(C)(C)S 1783777385 BWVJRGQDRMFBHN-QRWLVFNGSA-N 483.595 0.105 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1785224588 HDFKJCZJGICGBM-DYRFGFBLSA-N 479.530 0.531 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1785429434 HIGXUCCEIDKXRP-VGOFRKELSA-N 451.520 0.686 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1785593819 GKRFYXTZWVLWEC-KBJGYGKASA-N 450.536 0.374 30 20 JCED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785785762 NEFDITRYLRTVEU-LNLFQRSKSA-N 454.531 0.305 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCCNC5=O)[C@H]3C2)c1 1788255685 ZXTYYYYURMNFEK-WFXMLNOXSA-N 462.510 0.795 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]3C2)c(O)n1 1788770811 GIPYNTPXZYYKFB-DVWBAYGPSA-N 474.558 0.650 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789929199 LQZOSQUMXYXNEC-OKYOBFRVSA-N 497.589 0.751 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791390238 JFPKEPCZZWPEIS-FJIDUMEYSA-N 490.557 0.361 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC)[C@H]2C1 1791479035 WVEVATISOWLSGS-NXOAAHMSSA-N 466.535 0.239 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(Cc2cccs2)C1 1793972811 BXTMGUGJGXZHSF-HQMXNFIDSA-N 459.568 0.725 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)n2)C3)c(O)n1 1794489769 HHKMBALOEKHAET-IVWMJMPLSA-N 455.471 0.624 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCNC2=N)cc1C#N 1795582287 ZAAILKURPSQPTI-RMFSNUHRSA-N 454.531 0.389 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1795598501 IHKJPIVHZRVEQC-HGKCTWBKSA-N 454.531 0.451 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(CCOC)n1 1796597742 LAUFZKBSTDPZQC-HNJRGHQBSA-N 489.573 0.649 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2cccc(C#N)c2)C3)CC1 1797137392 ZMMLHRMDCXCFTN-IUTQVRIDSA-N 488.610 0.752 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C1CCN(C(=O)OC(C)(C)C)CC1 1797218126 HWCXDSIBQTYSJU-JWVYWZTKSA-N 477.558 0.947 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1)NC(=O)OC(C)(C)C 1798637153 WPXSHEILIGGWOJ-QOIOWGMHSA-N 475.546 0.833 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1)NC(=O)OC(C)(C)C 1799412840 DFVRAZMIYDIBGE-AXVVYFOYSA-N 462.551 0.727 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOc1ccccc1Br)C2 1800781220 PHDJAOIWVSYEOO-VTEUUUEMSA-N 465.300 0.896 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C)C2 1800981984 UMDOIXVKLPGPRZ-WSCKVLTOSA-N 480.562 0.958 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1801992143 QHESWKZWAIZROO-BCDXTJNWSA-N 475.523 0.047 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1808431766 IZDCIOGIJGQCJQ-JPYJTQIMSA-N 468.510 0.912 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)CC4)c2c1 1823888693 NDBMEOCBTCWFRZ-YGRLFVJLSA-N 478.494 0.715 30 20 JCED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)CC2 1825019275 BDGHNJLLRZJQEX-LBPRGKRZSA-N 482.547 0.980 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1825102566 OFVORNVFGYTBBU-MJGOQNOKSA-N 498.584 0.092 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828629002 NHHLFTRISGASDU-VWLOTQADSA-N 495.536 0.404 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1828883042 VZCSXUZVHIUYQZ-VQTJNVASSA-N 469.648 0.910 30 20 JCED CCOC(=O)/C=C/C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332513 PEUGMPFIVGLCER-UKEJNIAMSA-N 497.504 0.646 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1829335101 UYKNOMHVKLHDIH-UQBPGWFLSA-N 496.520 0.053 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OCC3CC3)C2)C1 1829764867 YHFHHHYATCOSJG-CNXHMKESSA-N 484.553 0.799 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)c4ncccc34)C2)C1 1829770550 XWUGHMSUAXUXED-POUSAUBHSA-N 467.526 0.502 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3OC)C2)C1 1829771578 WFRUBJKHZROKSV-XXXZYALBSA-N 457.527 0.553 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829895625 CAQSKAYDNDOXSX-OAQYLSRUSA-N 456.528 0.764 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)CCO2 1830838392 QCTCBNRLWVFIRA-DEOSSOPVSA-N 455.511 0.634 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2)C1 1831325410 XWSMYUNWAAWPEC-WAOWUJCRSA-N 457.593 0.539 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(NC(C)=O)c3)C2)C1 1831397755 XDGARZSZIBAFIF-BXKMTCNYSA-N 473.526 0.762 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1831495791 MTROWTFMFZHVLR-UZLBHIALSA-N 451.524 0.893 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CC1 1832110119 HSWCUNUULFEYLU-HSZRJFAPSA-N 494.589 0.755 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1833350170 ONPMTIPXVOMMPP-IBGZPJMESA-N 492.573 0.282 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1835067059 NMOZVWIMHYEABV-XMMPIXPASA-N 458.559 0.976 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c(O)n1 1835393591 YPZJRFAMIRQPTO-DEOSSOPVSA-N 474.558 0.308 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c(C(F)(F)F)n1 1836321907 PKQXQFWXMLXLDO-OAQYLSRUSA-N 497.474 0.374 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836479773 PUWJEDYEKPHWBM-DFIYOIEZSA-N 490.601 0.668 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1837443703 OTXOXEZMUFKKMW-IPACTHBOSA-N 496.568 0.707 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837527823 XGFMGWWVLSQHSP-KMEFSVQMSA-N 461.519 0.395 30 20 JCED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c2c1CCC2 1837562951 HSYLHGJYJQISMT-AMFJNGDOSA-N 455.515 0.691 30 20 JCED Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1838079642 MRXCFZHMOIKSLF-GRMYTIJRSA-N 486.495 0.981 30 20 JCED Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838115567 BIWPPAWXSYXJKD-QHCPKHFHSA-N 486.912 0.899 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cn2[nH]cnc(=O)c12 1838471307 LUNODCUNOVOSHF-XMMPIXPASA-N 476.493 0.587 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)c1ccc(F)cc1 1839039364 DLWLLKPAGYRMSV-ZJSXRUAMSA-N 483.500 0.973 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1839130879 ZFJABEJTQXXJOV-GAJHUEQPSA-N 490.561 0.572 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1839173613 BJKISDSGSAETSE-QFIPXVFZSA-N 458.471 0.802 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nc2nccn12 1839549005 OWLXKQOMRIEVDB-OXZVPYCZSA-N 486.529 0.637 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839684684 PZGXZKYILRUVES-CUDRYGEXSA-N 451.476 0.717 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1)c1ccccc1 1840263632 VCLKLADIQGRCSI-QFQXNSOFSA-N 479.533 0.565 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840360008 VOFZISVJXDBAJS-WZONZLPQSA-N 490.561 0.041 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840431570 LEUZBWMXVIMLEH-HGRYLZBDSA-N 463.535 0.505 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1840906474 CMUIROQZUYBJPA-SBUREZEXSA-N 475.546 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840907123 PKRYNRGVZTZNFK-QMHKHESXSA-N 489.529 0.169 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC)C2)C1 1840912732 OCVUADVOSGHDFL-ADCHYERDSA-N 480.606 0.910 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1nc3ncccn3n1)C2 1847069267 CREDSVINQHEPAH-OAHLLOKOSA-N 453.503 0.858 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 12618666 HHIUXSJYZFRPFE-UHFFFAOYSA-N 471.564 0.626 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)cc1 15616648 XLSIFRRAAGWKHT-RTBURBONSA-N 458.540 0.956 30 20 JCED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 516039702 SIWMXPYODYSPST-UHFFFAOYSA-N 452.446 0.200 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(F)c2F)c1=O 518596007 PSHNVJABCAIMOV-UHFFFAOYSA-N 463.506 0.976 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522538672 PRWVYDWBSUVZFK-UHFFFAOYSA-N 488.978 0.508 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cc(C(=O)OC)c(C)o3)c2=O)cn1 523182966 KHDSALMNGPBOTH-UHFFFAOYSA-N 499.549 0.459 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 608827947 AJTKOCNHMSPABW-UHFFFAOYSA-N 490.541 0.797 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828804 LKTDEMHEVAOIEX-UHFFFAOYSA-N 470.532 0.004 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(OCCCC#N)c2)c1=O 608855215 BHTBTGBHCBAYIL-UHFFFAOYSA-N 493.589 0.806 30 20 JCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCNS(C)(=O)=O)c1=O 608912677 URDZQLRXOYZSQM-UHFFFAOYSA-N 478.571 0.032 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(=O)N(C)C 609074753 MIUVGQRPCKTNGJ-UHFFFAOYSA-N 482.484 0.071 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(CCc3ccccn3)c2=O)cn1 726182550 XELASORQLZDLNS-UHFFFAOYSA-N 460.519 0.693 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2[C@H](C)c2cccs2)CC1 726583682 FHUYKFYCYBSQJD-MRXNPFEDSA-N 482.635 0.981 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3c(C)nn(C)c3C)c2=O)cn1 726962596 VJIMXQJUOYASAL-UHFFFAOYSA-N 464.551 0.778 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)NC(=O)c3n[nH]c4ccccc34)CC2)o1 728366791 CQMBMHRJWKPFDS-ZDUSSCGKSA-N 465.470 0.741 30 20 JCED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)CC1 729061000 PAKRKOGMHAIQRJ-UHFFFAOYSA-N 465.514 0.415 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccccc2)CC1 878468459 MHNUXUYRERKOJK-LJQANCHMSA-N 499.549 0.734 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 916789346 XFMDJTOOHQXAAP-AWEZNQCLSA-N 481.556 0.082 30 20 JCED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916873528 YQVJPRINUOOLPN-KRWDZBQOSA-N 450.517 0.061 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(Cl)ccc2OC)c1=O 917781751 UGNXJGZUTHJAGP-UHFFFAOYSA-N 476.986 0.543 30 20 JCED CCN(C[C@H](C)C#N)C(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1191978942 ZALOGNJQUZWUSN-MRXNPFEDSA-N 457.597 0.561 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2COCCO2)C1 1288977754 QXZPOZKCEUDCEC-JTDSTZFVSA-N 454.553 0.156 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1315068374 VWUUNTDDVSVDQS-IBGZPJMESA-N 473.603 0.915 30 20 JCED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1617444846 VMIYOQMDKNFYHR-SSEXGKCCSA-N 466.589 0.579 30 20 JCED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1659460309 LTXFGOGBQRLFJH-GJZGRUSLSA-N 458.562 0.227 30 20 JCED CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1696942815 NLJMHGDYMOIOFZ-SFHVURJKSA-N 457.560 0.815 30 20 JCED CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1741687478 ZSKAHOCNGDBEJQ-UHFFFAOYSA-N 452.563 0.942 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1747603396 JJJTTYQARNNGQJ-LJQANCHMSA-N 487.586 0.536 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777890970 TXWMYLTXNOYYCP-XMMPIXPASA-N 468.510 0.886 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@H]3CNc4ccccc4O3)C2)C1 1778929188 ZLSCAOZOPNRLML-KCLVWISNSA-N 454.527 0.938 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014060 QBZVVLHUTQKPQR-CVBLZYMJSA-N 467.567 0.174 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779072809 MOMJSBZBHJGKRT-REWPJTCUSA-N 475.473 0.565 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1)NC(=O)OC(C)(C)C 1779097912 ACIMSSHQLJVFJH-WXVUKLJWSA-N 496.605 0.326 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn2[nH]cnc(=O)c12 1779102084 AWDRIZLVUZIZAM-PYHHZILASA-N 472.502 0.304 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1779334947 BIQDQQYREKHUEF-KHCICDEESA-N 473.574 0.717 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779398100 HLAPFYZRFXQZRT-XMSQKQJNSA-N 464.632 0.683 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1780438219 GOSYUSDDGCGOMH-HJPURHCSSA-N 475.546 0.789 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1780802341 TVARMTDLEJEPCK-QXATTWAWSA-N 460.535 0.555 30 20 JCED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1781601880 MMGRYDXIJKPRFW-QNFHRHJVSA-N 464.588 0.257 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3nc(Br)nn3c1)C2 1782010849 YTDWTFZRHBMCIU-JLTOFOAXSA-N 490.314 0.707 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782665301 AONQMCTUOIPCJX-KOSHJBKYSA-N 489.573 0.933 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)c(C(F)(F)F)n1 1782674139 ASRSIZDHKQJVIW-HXUWFJFHSA-N 492.414 0.990 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782681527 AIJTYPMAVVSABY-QFIPXVFZSA-N 453.455 0.342 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(C(=O)OCC)CC3)C[C@@H]21 1783535512 LAQXVVWPFHTVJC-YJTGKBQXSA-N 476.574 0.693 30 20 JCED CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783562925 KNVHOOZUKQHZBM-LJQANCHMSA-N 488.440 0.640 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1783919354 DELUYNUAYBLRCL-WCCBULMPSA-N 461.946 0.322 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3Cc4nccnc4CN3C(=O)OC(C)(C)C)C2)C1 1784356007 MUVSWGXDSRETEY-WZONZLPQSA-N 455.515 0.602 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1784502403 RCNSCLZRAQYCCP-BVBHFADKSA-N 457.593 0.229 30 20 JCED CN1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCO3)C1 1784784160 LKAUNEOYPRWZKG-XMMPIXPASA-N 475.590 0.919 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1)c1ccc(O)cc1 1785354460 LECGGBZZFRCTRS-FQRUVTKNSA-N 494.548 0.990 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785377948 WAYVPPJUDSSIJI-UUOWRZLLSA-N 488.541 0.653 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@@H]32)c(O)n1 1785772788 RYFHCOAALMYSCW-LPWQTFTOSA-N 494.614 0.827 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1786859582 RABQODOPSWTCNK-FHWLQOOXSA-N 453.547 0.533 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4nc(N5CCOCC5)ccc34)[C@H]2C1 1787178640 VKLDDAUXBHSHKL-LNLFQRSKSA-N 454.531 0.735 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nc(CO)[nH]c4c3)[C@H]2C1 1787872051 ZLFTWLYYSRMDOZ-IZYOTDRFSA-N 467.526 0.507 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nnc4cc(C)nn4c3C)[C@H]2C1 1787910439 AWFBWJHMEMOTSL-BZSNNMDCSA-N 470.530 0.844 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789843302 FEGQTEZUHUWVLV-VDGAXYAQSA-N 473.599 0.573 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1789927860 DGWKUGCFMGWDPG-NXOAAHMSSA-N 452.552 0.792 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1790177296 QASCVEWXMWNTOA-YZVAWVHESA-N 488.541 0.760 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1793353134 JUKMSPKHUCLTJJ-NYUBLWNDSA-N 469.579 0.835 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1793595463 MUBQBRYNAGHIHG-IWSXDTNSSA-N 450.536 0.324 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nn1 1794568215 KHNQLWRBENZNBT-KPEUIFRASA-N 459.503 0.302 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1797816755 RFYXZUBKUOJLDQ-LZAWPFAUSA-N 489.554 0.858 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(O)cc(O)cc1O 1799658591 HUPIEZHGKMGVFK-YEZVWNJWSA-N 453.451 0.957 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cn5cccnc5n3)C4)c2c1 1799883924 DNVBPFUQVRKALR-CCWDJLKJSA-N 456.466 0.994 30 20 JCED O=C1Cc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)c2N1 1800030213 MWMNFBMCTGJIOQ-HHWFMCFWSA-N 456.499 0.913 30 20 JCED O=C(NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806084022 SFESFMSOXSROEP-YQPWQLKSSA-N 478.557 0.813 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810094156 IFYAKTIZCKQXRG-RCZSKKKRSA-N 472.542 0.851 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNC(=O)c2cc(C)on2)[C@@H]1c1cccnc1 1810375247 WSGQBMOFQHYFDI-MMOPVJDHSA-N 453.499 0.852 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)nc4cccnn34)sc2C1 1821262497 VRNNHPUGFFLFTD-WSROAFLRSA-N 479.522 0.630 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC3)c(C#N)c1 1822808040 SKKUWXYNYYDDNQ-HOCLYGCPSA-N 470.555 0.771 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1828583707 RCKSCDUBTSZEGC-DYRZZGSRSA-N 496.564 0.613 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)CC1 1828950253 FDFOGDXTVZLPOY-BRYSGOQDSA-N 477.558 0.959 30 20 JCED NC[C@H](N)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCN2C(=O)OCc2ccccc2)C1 1829133850 VPKFYNYHCMAZOA-YTTOKVEDSA-N 496.568 0.437 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829134092 XXXYHOHSIFIWGM-RCZVLFRGSA-N 486.569 0.665 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)cnc2c1 1830056844 XLHIMGBGVADKOI-QHCPKHFHSA-N 453.499 0.623 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NC(C)=O)CCO3)c(C#N)c1 1831478199 NYTTYFIZHBNRJZ-XMMPIXPASA-N 472.542 0.480 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)CCO2 1832005736 QXHRPMCHMXJDFE-VOMXWEQNSA-N 477.558 0.281 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1832456400 QTORTHAGMUUWJZ-HSZRJFAPSA-N 474.583 0.866 30 20 JCED CC(=O)Nc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1 1835478683 HYKLEJRIJBTJMA-UHFFFAOYSA-N 454.527 0.847 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1)c1ccc(O)cc1 1835517102 ROOMFWDICIYWCO-WZONZLPQSA-N 474.583 0.972 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835755981 XQILSURLXIVGLM-OAQYLSRUSA-N 493.605 0.335 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)c(C#N)c1 1835857248 SPPDJAMMTKTGNX-JOCHJYFZSA-N 455.471 0.308 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)CNC(=O)c4cccnc4)CC3)CC2)c1 1836168963 SOZSKGDUUZUSTJ-UHFFFAOYSA-N 463.542 0.897 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)ccc12 1836254246 VAPDZHBUTDPKQQ-DEOSSOPVSA-N 481.509 0.885 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1 1837440622 PURXGWHLIQLFBA-GAPQSTFRSA-N 474.558 0.657 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cc2NC1=O 1837445189 IZZVPXXPKOWDTN-ACUDWXNDSA-N 499.568 0.948 30 20 JCED NC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1 1837447779 SGWRLMXRDFFHQM-HBAGGBEISA-N 457.531 0.327 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837499231 HBYRKLXRJYELSO-OFNKIYASSA-N 473.482 0.123 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837529114 PRZZRKYXHZFJGB-KDOJCWGASA-N 472.502 0.328 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1837530253 KEAUJOBYVBAQCB-GOPWYIOASA-N 461.515 0.920 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1837531478 NOHLOWVXTXXMNN-ZCTVUFTBSA-N 467.910 0.729 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564510 TZORBIRDQDIDDB-AMEYQDPRSA-N 456.503 0.446 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838508533 BZVIXDCKUSDHAV-LWOHLBADSA-N 470.511 0.868 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccccc4C(=O)OCCO)CCO3)C2)CC1 1838568391 GIXHIDHZBINEGS-QHCPKHFHSA-N 457.483 0.209 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)ccc1OC(F)(F)F)CCO2 1838578995 YBOPPQALUCFAJB-IBGZPJMESA-N 474.363 0.882 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)c1 1838584816 IALJBAANKCRXGC-DEOSSOPVSA-N 481.509 0.930 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)c(C#N)c1 1838805860 XEQJRJIEKAOOFA-HSZRJFAPSA-N 470.482 0.360 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)cc1 1838951060 WGCDQECQTGWYHK-SIKLNZKXSA-N 455.540 0.655 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)CCO2)C1 1839036078 PRTWVDKULOLXQJ-QZTZHPFYSA-N 477.533 0.992 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)N1CCN(C)CC1 1839100553 CPLCEFOQUHCUDT-HFZDXXHNSA-N 483.613 0.583 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1839222971 GWYFLFPVBMALIS-GCJKJVERSA-N 452.552 0.646 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)[C@H]1SC(=N)NC1=O 1839362021 UITYBBFIHQXKQO-HOSQHVHZSA-N 485.566 0.625 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839518229 LCYRFEDPKDVGSE-QFIPXVFZSA-N 462.503 0.245 30 20 JCED CCN(CC)[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1839729518 HSLQZVMNXLUWBY-LADGPHEKSA-N 457.527 0.614 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1839890046 DKMAMXBTTDNOCH-HRAATJIYSA-N 466.485 0.868 30 20 JCED COc1ccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1OC 1840039662 CDBOGIHOWLKKKS-HSZRJFAPSA-N 460.483 0.181 30 20 JCED COc1ccc(Cl)c(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1840044218 QNGGAVPJVNLHPX-NRFANRHFSA-N 468.865 0.575 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840055236 LYNKAEKARRFILJ-MWTRTKDXSA-N 494.545 0.203 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C(=O)OCC)CC3)CCO2)C1 1840816854 TWIGBAPHRMHPCS-MBSDFSHPSA-N 465.547 0.350 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)OCC)C2)C1 1840907424 UYDYLTMNELSDBA-YFWMHCOGSA-N 493.557 0.479 30 20 JCED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1)NC(=O)OC(C)(C)C 1841895347 UIOMTXUCSFPWJP-GOSISDBHSA-N 498.646 0.780 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@@H](NC)C(=O)O)C1 1842954053 RSUIKYZDADQIBK-DOQJBMMISA-N 450.536 0.722 30 20 JCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2ncn3c2CNS(=O)(=O)c2ccccc2-3)C1 1844623699 UTEIPYHPZQTSSS-ZDUSSCGKSA-N 461.569 0.800 30 20 JCED C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 31211106 RHNVAKNLPJLDPW-GOSISDBHSA-N 461.588 0.724 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)ccc1OC(F)F 489224953 JSQVBXXRHAEKJZ-CYBMUJFWSA-N 465.478 0.855 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 501766973 SNIZBNFWQYRADJ-UHFFFAOYSA-N 458.496 0.799 30 20 JCED CN(C)CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 518072928 BVWHTJVLIGEXTI-UHFFFAOYSA-N 485.566 0.970 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2-c2cnn(CC)c2)CC1 522381917 FSHJXWJAFBGNSC-UHFFFAOYSA-N 452.540 0.376 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC2)o1 726669682 LKVVXZULNLOVHB-UHFFFAOYSA-N 489.510 0.055 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)CC1 728532963 PFMWNBPBGBTVPX-UHFFFAOYSA-N 497.415 0.741 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 728570546 DNAAKEDLZUOBKE-KDURUIRLSA-N 459.566 0.423 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)cc1F 729672868 MHPVJHMVEZHKLD-UHFFFAOYSA-N 481.571 0.377 30 20 JCED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 856409735 YWOWPACNWVPTFC-HNNXBMFYSA-N 452.471 0.621 30 20 JCED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC(C(N)=O)C(N)=O)ccc1Cl 875736971 GMSSODASEVVATR-UHFFFAOYSA-N 468.894 0.929 30 20 JCED Cc1ccccc1C(=O)NC1CCN(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 918872098 DUKUVAUWMYJVTI-UHFFFAOYSA-N 498.561 0.998 30 20 JCED N#Cc1cccc(OCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 919416920 GWCWFDXVKWPZRA-UHFFFAOYSA-N 488.478 0.922 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC4(CC3)NC(=O)NC4=O)nnc12 1115822061 HTNRZGXDDVVYIS-UHFFFAOYSA-N 467.511 0.523 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCS(=O)(=O)C1 1298133029 JUAOEMJBOQZHLR-FUHWJXTLSA-N 478.600 0.722 30 20 JCED CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c1=O 1502235717 VQLAVTWADWIWKK-UZLBHIALSA-N 479.538 0.283 30 20 JCED CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1505139048 PNKTVWVORQNCDM-UHFFFAOYSA-N 473.559 0.194 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC(F)(F)F 1510199067 ORUJJENIXSMOHU-NHYWBVRUSA-N 451.475 0.697 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C(C)(C)C)CC1 1541993620 YPNXKIRDHOWOJS-MRXNPFEDSA-N 481.623 0.903 30 20 JCED N#Cc1ccc(Br)cc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1561103147 KHTJJMWGLXBBNZ-UHFFFAOYSA-N 457.350 0.486 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1633446990 UMZFAGNMAWTHLQ-VQIMIIECSA-N 455.540 0.689 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1761467259 XDKOCBVZKVNEMX-CQSZACIVSA-N 455.548 0.982 30 20 JCED COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1767963367 ZWOPKZFXNOUYGC-UHFFFAOYSA-N 489.558 0.653 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1778362484 NXMPCPCRIGOCOV-APTYZTEPSA-N 493.601 0.863 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4ccc(C(F)(F)F)cn34)C2)C1 1778551055 HZTXVOZPZWEVBY-LJQANCHMSA-N 450.373 0.885 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779442781 GTLBQPSVHPSWLV-GGVICLPMSA-N 450.492 0.277 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC(F)F)c(O[C@@H]4CCOC4)c3)C2)C1 1780087183 JUDGLSQXZQBCFR-WAIKUNEKSA-N 494.447 0.987 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSc1nc[nH]n1)C2 1780739528 KYYKURZXMARQBQ-FOIQADDNSA-N 451.549 0.920 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781857268 AIAYKCRMTMDSFV-JCDAUTPCSA-N 470.523 0.188 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@]34CCN(C(=O)OCc3ccccc3)C4)C2)C1 1783515077 XNSBHZWSYZMDFJ-YMSRPXOMSA-N 495.532 0.953 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3c(-c4cccs4)ccnc13)CCO2 1783562678 NWIARTNMNZORRN-QFIPXVFZSA-N 465.491 0.989 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(S(C)(=O)=O)c3)[C@H]2C1 1783747679 AXLFJGFMIHXGHM-IHPCNDPISA-N 476.599 0.965 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1783786500 YHODWWCSDXYZLU-ZHRRBRCNSA-N 451.520 0.686 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](CC)NC(N)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1784089415 DUVUDRFVDKCFIO-DGGJZMOXSA-N 479.578 0.829 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784195963 TYVBBGIAWVVWBU-FKSLSLAPSA-N 467.563 0.280 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOC4=O)[C@H]3C2)c(O)n1 1784275947 FHGQYXPATJIONW-SNRMKQJTSA-N 458.515 0.951 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785608989 IFRQERIDZJQOOH-SBUREZEXSA-N 464.563 0.779 30 20 JCED COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1791136271 YPEDTWYNBPRJDN-FUDKSRODSA-N 489.569 0.986 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NNC(=O)C4)C[C@@H]32)cc1C#N 1792057822 HASTZFCFXRXFIB-KNBMTAEXSA-N 453.499 0.815 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C[C@@H]21 1792176600 OXJCVHLGFWJLHA-FHWLQOOXSA-N 476.574 0.459 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1792520807 VEFMMIDZAISCCR-DAWKRRPCSA-N 463.531 0.721 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792636028 BTGJWYPMNPCJGA-IVSAIRAKSA-N 466.535 0.582 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2ccc(C#N)cc2)C3)CC1 1797136897 LHNYLOSHCLZNLR-IUTQVRIDSA-N 488.610 0.752 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC)c1ccc(O)cc1 1797760106 XLBUHJYHCNEWKG-CROMWVBPSA-N 472.611 0.963 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797837397 TVDSTNUDRPSZGM-KYTFUPDFSA-N 490.557 0.658 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc4c(c2)NC(=O)CS4)C3)c1 1798695346 UIFQJFHOKXPFRT-ZSBFGKGUSA-N 452.496 0.843 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C 1800981125 JULIEAQYGGJGAK-DFGXFYAUSA-N 464.519 0.015 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801051629 QRNOLFPVJRJDID-CKOFKNITSA-N 471.620 0.902 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)C1 1801987456 CGRFKRVRPYJMGF-XMTFNYHQSA-N 462.547 0.906 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803919340 OJWGGSKZXOZXBK-MBSDFSHPSA-N 468.510 0.912 30 20 JCED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H]2c2cccnc2)C1 1804387730 LNZVGEPCMKJMJZ-FXAWDEMLSA-N 491.552 0.501 30 20 JCED O=C(C#Cc1ccccc1)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1806621785 XCPSNDXFIPQNMD-RCZVLFRGSA-N 450.539 0.426 30 20 JCED NC(=O)[C@H](N)CCC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1807192784 XQSJCVVVOWASHR-KNKQGSTJSA-N 455.559 0.379 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810349217 IEIUIHXKQCDRFL-DYXWJJEUSA-N 458.563 0.020 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@H]1c1cccnc1 1813334724 CDCWFXVOADMCRU-DGEVVOEJSA-N 466.542 0.596 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1825755581 QXCNEMSOPLHFCL-AHASJALOSA-N 492.554 0.904 30 20 JCED O=C(CN(CCO)CCO)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828979054 RFDRPAGDECXTMI-LLLIPYIGSA-N 468.595 0.422 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1829266612 AYAGXKJADRRPQW-RUZDIDTESA-N 467.570 0.319 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5c(c4)CCNCC5)C3)C2)cc1 1829906410 ZTWXLYMWVLXZTI-HHHXNRCGSA-N 489.576 0.954 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)C(=O)O 1830458373 BAPUWTCNSABDGC-CVDCTZTESA-N 458.515 0.010 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccccc3C(=O)OC)CCO2)C1 1830888492 VEMCSXYDCRYGBY-DFBJGRDBSA-N 472.538 0.901 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1831208950 BZXBLPODFAHRKB-DVECYGJZSA-N 471.579 0.966 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221477 NNGJRFBBZMXFIS-LQGLAIQGSA-N 491.585 0.617 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1831452455 SBPLUFXVKHUXMN-HTAPYJJXSA-N 482.986 0.829 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C)CCO2 1831723302 KBFQRJRRHASQCJ-AQOAWAETSA-N 451.520 0.100 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831863659 STETVVYINHJBMR-GAJHUEQPSA-N 475.546 0.705 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1831997916 IEDUJIGDSWSRHR-KSFYIVLOSA-N 478.550 0.355 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1832000382 NOBUBORERJDQKE-ZHRRBRCNSA-N 484.550 0.268 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c(O)n1 1833698548 JNFKXCIGPOWVFE-DEOSSOPVSA-N 472.542 0.598 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)C3CCN(Cc4ccccn4)CC3)CC2)CC1 1833861885 LVFRQGXENMABIO-UHFFFAOYSA-N 481.597 0.953 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833969001 MKQIPWHGADRXDL-IBGZPJMESA-N 459.547 0.933 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834403145 MULWDEDOXSFBFS-MOPGFXCFSA-N 463.579 0.842 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835390372 SJTILMGPLDDULB-WZONZLPQSA-N 466.579 0.311 30 20 JCED CC(C)c1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)no1 1835674667 CQYDJRWTXSUFGN-JOCHJYFZSA-N 462.551 0.474 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CNc4ccccc4O3)C2)C1 1835677264 DFTMOJGAUKCPKE-KBMIEXCESA-N 485.585 0.988 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)s1 1835681331 XNIUYLIGSPVKJK-HSZRJFAPSA-N 492.598 0.815 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835767529 CLZXJJLXUUIWEF-UUCLDJJNSA-N 466.583 0.534 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1835768853 LPPMPRVGDJROKF-LQDRLVSNSA-N 463.579 0.613 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836048952 ZGQLRZVSWURSRF-QGZVFWFLSA-N 458.563 0.334 30 20 JCED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)n1 1836072736 RFRNSYAYYCKJRA-JOCHJYFZSA-N 457.462 0.630 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1)C(C)(C)S 1836353776 KGMQPYHWYVLTIH-SPLOXXLWSA-N 498.606 0.476 30 20 JCED COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c(O)c1OC 1836455707 OZVVFLDGTOLUIY-UHFFFAOYSA-N 459.499 0.683 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837397956 YFVNIXRKIBDGFH-BPYKYCOYSA-N 457.571 0.730 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445944 CTLHRBNGTFZKCG-ACIVSAMGSA-N 454.524 0.476 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837483379 NGCJKMLXWJLMMR-BXKMTCNYSA-N 482.516 0.987 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1837525334 UNTAYCMHKSJVQX-BLINCGSOSA-N 456.883 0.927 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1837529734 DEMQTYTWIPLHEN-RCVICEBOSA-N 474.352 0.899 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nnc(-c4ccccc4)o3)CCO2)C1 1837534538 NLBLPKOPTWTGEH-UZUQRXQVSA-N 454.483 0.845 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837636492 AJQCBMVNVHXVQG-CWNBPXTLSA-N 476.530 0.709 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Br)cnc1Cl)CCO2 1837791455 KYKHXLPHZNKDOL-GOSISDBHSA-N 486.706 0.656 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)c1 1838581911 VWQVRYLXSQUWAP-QHCPKHFHSA-N 477.481 0.388 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)CC1 1838949902 CCKFKCQKXIDBIP-DEOSSOPVSA-N 455.559 0.266 30 20 JCED C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839160870 QAYOKEZQUSICRL-BFUOFWGJSA-N 469.420 0.177 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1839185012 KOEYFMIPWOPIEG-UZUQRXQVSA-N 492.577 0.745 30 20 JCED CC[S@@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839187258 SDRCIMKLIOZRQK-GHRAFVERSA-N 465.547 0.855 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)cc1 1839362061 VYDMQSMTYOUTPE-QFIPXVFZSA-N 453.455 0.338 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1839388575 WFJXZGSBUMVXFR-FZKQIMNGSA-N 467.441 0.404 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839687017 VYNFLQVYAVJOBD-GAJHUEQPSA-N 475.498 0.955 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1)c1ccc(O)cc1 1840220051 VHLVYHIKVUJGMK-CYFREDJKSA-N 457.527 0.434 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251786 YJSHQDWGSGCSMK-YADARESESA-N 477.558 0.988 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c(C#N)c1 1840410298 BWNZZNXCOMUMBO-XMMPIXPASA-N 481.509 0.435 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCO2 1840879676 ACQFWTPHQIHQJL-MVHYOEPOSA-N 487.509 0.131 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1 1840908804 HLRSYIKQORGIHI-KOSHJBKYSA-N 487.557 0.772 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842884857 XWVPCDIIRJWNHQ-GOSISDBHSA-N 483.573 0.681 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845123998 TVGBORDWYYJGGB-HNNXBMFYSA-N 464.519 0.040 30 20 JCED Cn1nc2c(c1C(=O)N1CC3(CCCN3C(=O)C#CC(=O)O)C1)CN(C(=O)OC(C)(C)C)C2 1846196743 JRIRXROBJHRSFC-UHFFFAOYSA-N 457.487 0.576 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)C1 1846411411 YSFIAZFBDJTDLN-QHCPKHFHSA-N 463.579 0.844 30 20 JCED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1)NC(=O)OC(C)(C)C 1846461913 ZHGXIDINWOZOQG-INIZCTEOSA-N 460.531 0.974 30 20 JCED CN(CC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 482846779 JPKQKBNYQLQLQC-UHFFFAOYSA-N 498.521 0.698 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)cc1 516375266 YZGBTLQOQHHRGP-UHFFFAOYSA-N 468.579 0.547 30 20 JCED N#Cc1cnn(-c2ccc(C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)cc2)c1N 524296951 XFZFXPCYMPVAAC-UHFFFAOYSA-N 451.512 0.936 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc2c(c1)OCCO2 619538701 SUJDNJKLJATZHP-UHFFFAOYSA-N 493.541 0.944 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 725762955 ARMODKAJJSODJZ-HNNXBMFYSA-N 461.588 0.552 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 727417016 CARRZWGQBODBFJ-UHFFFAOYSA-N 472.548 0.228 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 729257466 GKXJUVNCYLSBMH-UHFFFAOYSA-N 466.629 0.749 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1CCOC 730440484 QDLDLVYPZQABRF-UHFFFAOYSA-N 481.958 0.492 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 915873349 GQKPCEUJJMRSDC-CVIUTVQRSA-N 495.583 0.603 30 20 JCED COc1ccc(CN2C(=O)C(=O)N(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cc1 917421530 XGRUBHPLIYYNHZ-UHFFFAOYSA-N 497.533 0.822 30 20 JCED CN(Cc1cnn(C)c1)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 918913728 SAVLSIQGLHTFCW-UHFFFAOYSA-N 459.528 0.894 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(O)CCOCC2)C1 1288977258 LWQLXTDATCXWAX-FXAWDEMLSA-N 482.607 0.673 30 20 JCED CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1301832237 KDLBRCHYKGRDOS-IBGZPJMESA-N 487.586 0.869 30 20 JCED CCN1CCN(C[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1313951777 WGDGCVDGXPPRLK-MSOLQXFVSA-N 466.656 0.902 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1315072675 RWRSKZSZXXWJHW-CRAIPNDOSA-N 464.548 0.518 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CC1 1502343171 KRLXVOGBHKZNTP-XUVXKRRUSA-N 496.682 0.623 30 20 JCED C[S@](=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1555823662 WMWAUSVJLLJYJG-RBQGVIKNSA-N 470.621 0.652 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC[S@@](C)=O)CC1 1628482638 XKTAMVQWMJZSDU-SFNQZPIRSA-N 454.618 0.807 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN(C)CC(F)(F)F 1692793635 IJEWDQQDCIZWJF-GDBMZVCRSA-N 492.572 0.949 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1697706598 RNYDRZFMOMKDFJ-LJQANCHMSA-N 487.586 0.536 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)N1CCCCC1 1706888233 ZSYBWQKHRRNSKI-AEFFLSMTSA-N 478.623 0.467 30 20 JCED CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1710302125 YXOAGLXYNBONMX-UHFFFAOYSA-N 452.563 0.693 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CCO1 1741111937 TZIIQLGKQYNTDP-ASPBEGMCSA-N 472.571 0.981 30 20 JCED CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCCS1(=O)=O 1750647329 LORKLJQXOKPXAD-MRXNPFEDSA-N 459.580 0.814 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1768463790 VNAMQTFEECWLEQ-KRWDZBQOSA-N 452.519 0.857 30 20 JCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1778136963 YDIITYBJCCXPMC-JXALWOEJSA-N 470.526 0.892 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1778788976 ODUVETSWDNQVGJ-OXJNMPFZSA-N 495.330 0.829 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779132685 HSKOTKQOCBIPHL-VRIRVKPRSA-N 482.537 0.708 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780250437 RHGXWOCBJFHODN-DURYTUKUSA-N 473.530 0.683 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)csc2n(C)c1=O 1780334086 NFEPVFWCKYORNF-QHCPKHFHSA-N 496.549 0.185 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780600181 OFHFWSFVKDBAKB-MBSDFSHPSA-N 458.515 0.887 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCOCCOCCOC)C1 1782069062 AHZJNPDEBFQTFX-YZUZCNPQSA-N 486.606 0.788 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782640084 PNBDRZCMWJMONE-KOSHJBKYSA-N 487.557 0.861 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)ccc1F 1782788421 WACKRZZXBMMVTD-QHCPKHFHSA-N 483.456 0.840 30 20 JCED COc1c(Br)cccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563369 PSDIIQVQLKAUDJ-LJQANCHMSA-N 451.273 0.989 30 20 JCED COc1ccc(Br)cc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563552 UCISLQZAFHDTSH-IBGZPJMESA-N 451.273 0.989 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1784186322 NIUSXPQQFNRZDM-SAHWJRBASA-N 463.531 0.781 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785349676 KCRZZQFELRZTDB-HRAATJIYSA-N 456.609 0.687 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(NC(C)=O)n3)[C@H]2C1 1785531305 VEEXQAITVOGFKB-UKKVWMJBSA-N 455.515 0.492 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C(=O)C1 1785667415 VVAVAJFBMGZGBZ-QHCPKHFHSA-N 477.562 0.445 30 20 JCED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)n(-c2cccc(=O)n2C)n1 1786701899 GXDMKAAQQCNLSX-LNLFQRSKSA-N 452.515 0.777 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786798489 UUNAZHYOTLMONL-TUFLPTIASA-N 485.585 0.932 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C[C@@H]21 1788575497 KTVRHMWRAHYYHC-GIUOSPMZSA-N 459.591 0.885 30 20 JCED O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)NCc1ccco1 1788659073 UDSOFLZNANZBQV-SEASDXFMSA-N 488.541 0.961 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1788661775 YIYUHGIUVBOKDS-HVUQSGKKSA-N 484.600 0.355 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1788706234 PRWLHGWIZREAGQ-QTWZMDIBSA-N 462.510 0.760 30 20 JCED CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21)C(=O)C(=O)O 1790634480 FUSVKIJSMOXZHH-SZMVWBNQSA-N 461.902 0.214 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(Br)nc3)C[C@@H]21 1791079000 RMZHNNGNAKCURF-KKUMJFAQSA-N 450.289 0.454 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncnn3C)C[C@@H]21 1792266735 CLZREISMKMWMCZ-DAWKRRPCSA-N 474.562 0.878 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1792272787 PVILRYWKWBEGNO-MUGJNUQGSA-N 499.568 0.920 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(=O)OC)cc1C)C2 1792491407 UJCMHWRLOKTSJX-SWFHQTGMSA-N 455.511 0.843 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1793592609 NISILKCYTPIKKU-JCECYMMASA-N 487.619 0.726 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795584812 XKOIMSZWGJSERM-MDMSPXHWSA-N 468.595 0.391 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797889674 QHMKJKDHIFADMR-UKBAYJJMSA-N 485.541 0.526 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCC(=O)N2C1 1799152018 ZDSHVOPLEXVTTC-QTQLYOFPSA-N 466.538 0.928 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Br)cc3cn[nH]c13)C2 1800777316 PTZDNCUHYNTFHR-DPIQGUFMSA-N 461.272 0.617 30 20 JCED CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778533 GIPFAIBIPAZCGV-RCJHGTSTSA-N 451.520 0.603 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1802160152 XFADFFSACPQZJX-YYIAUSFCSA-N 494.593 0.468 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 1802201731 HXJVKQNLTWBHNH-VLUPQCQJSA-N 467.538 0.962 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1807141433 APBWEVNXXLKEEZ-FPOVZHCZSA-N 490.630 0.100 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c(C#N)c1 1808165244 UWOKSLWHRRTFNS-HOYKHHGWSA-N 490.520 0.762 30 20 JCED NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1821037107 XCUGFTDADJRVAG-IVWKQIGUSA-N 456.532 0.730 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1828284599 LXQJEQMQUZQKAG-NFAWXSAZSA-N 492.602 0.565 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1828925212 ONRJZIGZMCTRQF-SKPFHBQLSA-N 469.542 0.465 30 20 JCED C=C(C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1)C(F)(F)F 1829312983 AGBFFWYKJHLGST-UWJYYQICSA-N 483.491 0.843 30 20 JCED C=CCC(F)(F)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829313371 LEACWOSDRPFPBE-AVRDEDQJSA-N 479.528 0.936 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1829335098 UYKNOMHVKLHDIH-CLOONOSVSA-N 496.520 0.053 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCSCC4)CCO3)C2)c1 1829715239 VOIIXQMYBJECFD-JOCHJYFZSA-N 462.547 0.816 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)C1 1830716192 XUSVRMFBXYXVTL-DFIYOIEZSA-N 476.570 0.731 30 20 JCED Cc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1830916149 CZZKMFPCLGJQAC-LPEYTCNWSA-N 460.531 0.918 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1831412530 RRDVSVHYZLOYLF-OFNKIYASSA-N 452.596 0.062 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1831998061 CECKDAHLFSGUHX-JKIXTWFVSA-N 467.563 0.683 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832419917 DLCDDXWZWMHUON-QHCPKHFHSA-N 463.579 0.127 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1832462951 HEMMAKNTAHYSAD-SFHVURJKSA-N 459.615 0.222 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832793288 INQIPGINEXMKRW-QFIPXVFZSA-N 487.900 0.953 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832872429 BBUKKTQSYWTXPH-GHTZIAJQSA-N 452.577 0.545 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cccs4)CCO3)C2)c1 1833031790 QDFVVPIEUKTASK-OAQYLSRUSA-N 457.512 0.448 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833032967 DYNNOEYKVLPRKV-KKSFZXQISA-N 466.560 0.735 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)OC(=O)OCC)CC2)CC1 1833077351 UORVJYIEFNUDFT-JTGQJZMRSA-N 464.563 0.978 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1cccnc1)NC(=O)OC(C)(C)C)CCO2 1833106701 FTZFKNBLEZIUAT-DVECYGJZSA-N 472.542 0.607 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(Br)cn3)CCO2)C1 1833107101 XKGLZESRMRGYAM-IERDGZPVSA-N 480.359 0.881 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833556662 MSXFWZBQWJZGPO-FRBZJCMESA-N 456.883 0.927 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(Cl)c(CC)nn3C)CCO2)C1 1833590108 AXZCBHUOTHVZPL-BTYIYWSLSA-N 452.939 0.744 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833847862 OAYSXPADXGVVCV-ZGNKEGEESA-N 490.561 0.355 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835515453 AGAOHRQRKLFQAZ-QGZVFWFLSA-N 470.574 0.240 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836226000 RELBCOUGHDQICF-PNCHPQGNSA-N 465.547 0.538 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)ccc1Br 1836481306 YEOUZNPMPZLRMD-RXVVDRJESA-N 475.343 0.919 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1836776031 LMWLZTBKILSOQF-QHCPKHFHSA-N 473.530 0.337 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837241687 PMBVFHVHVKHGMI-ZUCSTNNZSA-N 459.565 0.131 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837294937 RQCUUISGXWKTQV-JJZOEDMDSA-N 484.509 0.036 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)c4nncn4c3)CCO2)C1 1837369771 ASZMMWXLIOTCLY-JOCHJYFZSA-N 489.964 0.735 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837382372 XZUSLEAMAXQGDJ-NYHFZMIOSA-N 477.949 0.989 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1837397132 RJDOZTCZOYNDAI-MHECFPHRSA-N 481.590 0.883 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1837528766 OPFIXQJLEIAHRB-MUZGUSJISA-N 498.540 0.866 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838414486 FFXCFCACCJHOLH-JXFKEZNVSA-N 466.585 0.780 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4csc(N)n4)C3)C2)c1 1838581643 FBMCKCAGEYSYOU-OAQYLSRUSA-N 457.512 0.989 30 20 JCED CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2)C(=O)OC(C)(C)C 1838734610 FPCLWENCGRPKMQ-QFIPXVFZSA-N 461.519 0.823 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838736264 URBZHGWRFQCWDA-JOCHJYFZSA-N 487.538 0.210 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)cc1 1838951500 SZIDWPJJGAQVGN-JOCHJYFZSA-N 451.439 0.430 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)ccc1C)CCO2 1839357749 HZDSSIFWFHGSMK-WEHRJKGCSA-N 457.527 0.932 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O)CCO2 1839361095 PKQDMFGBGSDDLD-LJQANCHMSA-N 474.457 0.812 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)CC1 1839362368 NRPRTPNGBMWVCU-RUZDIDTESA-N 469.586 0.460 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)c1 1839451492 WBBMLQBCWJYURB-XMMPIXPASA-N 463.494 0.744 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251811 ZIUHKSKHXPKCHP-HTAPYJJXSA-N 451.520 0.597 30 20 JCED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1840321943 LULROWYXKCTIFP-FQEVSTJZSA-N 495.330 0.747 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840480344 LORFALSZWLKDCC-XMMPIXPASA-N 450.495 0.779 30 20 JCED Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)c(=O)nc1O 1840808384 VFTZBKMGGHAAPG-HSZRJFAPSA-N 485.472 0.038 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812398 OITOKOPRJDUEIC-KSFYIVLOSA-N 466.535 0.022 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1840906896 LEPPFTBIWZGIDP-SBUREZEXSA-N 463.531 0.339 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)nc3)C2)C1 1840907275 SRECDUKNSYCFOE-CYFREDJKSA-N 487.557 0.772 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)[nH]n3)C2)C1 1840909482 UCBWZGNOLWDEEX-UUOWRZLLSA-N 489.573 0.959 30 20 JCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc4n(n3)CCNC4=O)C2)c(O)n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c3ccc(F)c(C#N)c3)CC2)C[C@@H](C)O1 481053436 SRROZPSUGSMIJG-OKILXGFUSA-N 453.496 0.134 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)C1=O 517820142 BHYCEJCRDOZGPS-OAHLLOKOSA-N 462.528 0.700 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1C1CC1 591000288 XQRYQEQVLOXCNA-UHFFFAOYSA-N 465.000 0.911 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1-c1ccc(OC)nc1 608883748 DKTJBXOZRDVUSZ-UHFFFAOYSA-N 496.545 0.585 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O 608911385 CNUYFYWMZZGGSP-UHFFFAOYSA-N 481.397 0.781 30 20 JCED N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 609097411 ZDMUYWLRDYEUQK-QGZVFWFLSA-N 457.512 0.752 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC2)C[C@@H](C)O1 725766404 LJPKHFVTQHEKDO-JKSBSHDWSA-N 490.586 0.254 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 728531817 RATMJVFDCXAJKV-UHFFFAOYSA-N 453.312 0.602 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)cc(OC)c1OC 729675181 UJLVTGXDFXCYKK-UHFFFAOYSA-N 494.591 0.708 30 20 JCED C=CCn1c(=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)sc(=Cc2cnn(C)c2)c1=O 837285475 OKFSVFBRFZWICF-UHFFFAOYSA-N 494.489 0.650 30 20 JCED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 913243591 YASPYKAZYHAVDP-HKUYNNGSSA-N 471.557 0.098 30 20 JCED N#Cc1c(CCCNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)nn(-c2ccccc2)c1N 918265238 HMRIEGVEJPVGEO-UHFFFAOYSA-N 456.470 0.989 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(c2ccncc2)CC1 1288870819 QYCALBBQUOPHGZ-QFBILLFUSA-N 474.591 0.929 30 20 JCED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1294914885 XUVPEQJPPAADKO-UHFFFAOYSA-N 494.600 0.999 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C1 1302468499 IJVRBOGTCMAHIE-SJORKVTESA-N 470.621 0.592 30 20 JCED Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1304419533 YGFXVMIELPIDEQ-GOSISDBHSA-N 459.576 0.891 30 20 JCED CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CC1 1515892857 LDFJOGOBKRXVLF-GOSISDBHSA-N 474.635 0.828 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539601405 ZYIVIWQBKGZLIU-LBPRGKRZSA-N 482.426 0.607 30 20 JCED N#Cc1ccncc1N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 1625328042 UBQRRKXTCZRNRH-MJGOQNOKSA-N 459.503 0.565 30 20 JCED C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1662090514 KKDPNUDRXCQURZ-CRAIPNDOSA-N 456.590 0.674 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(N2CCOCC2)n1 1761476284 LDKIFGMUTJUMLR-INIZCTEOSA-N 474.591 0.908 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1770360896 SKZKRYPCOHIFHC-UHFFFAOYSA-N 457.560 0.861 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1778942987 RNOKYTUWMVLGSX-AOMKIAJQSA-N 461.519 0.258 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1778967228 JNWFDPBSWOHWNT-DYESRHJHSA-N 451.545 0.502 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCO3)C1 1779034958 YACOXHIRVBSUPH-YUVPUZHMSA-N 457.531 0.652 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1)c1ccccc1 1779185456 RRSVKUTTZWLDDT-DVECYGJZSA-N 452.511 0.565 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1779395227 MNDAMVVMEHGGDO-WZONZLPQSA-N 482.541 0.244 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780923151 QZJMCLNOTOONSJ-IQMFZBJNSA-N 474.583 0.883 30 20 JCED C[C@@H](CN)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781169927 FBNVKUAWSWKCON-SBUREZEXSA-N 463.579 0.952 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781965573 LFAHOWKTSOUUFE-VGOFRKELSA-N 462.478 0.984 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)c1ccccc1 1782747866 OYCBUOVAIHBASW-CYFREDJKSA-N 455.511 0.557 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1783166553 HZIVPGIUGUFDGQ-QZMQVMSPSA-N 464.563 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CN(Cc3ccco3)C(=O)OCC)C2)C1 1784302333 GXRZEQLBVALZKK-WEHRJKGCSA-N 488.541 0.926 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCNC(=O)OC(C)(C)C)[C@H]2C1 1784339419 ISEDMGKDBBAOGF-FYQPLNBISA-N 481.590 0.936 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)C1 1784385584 VJLMUFFYRKRGDT-OMZCGLGVSA-N 461.559 0.607 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785328124 JKJUSSOGYPOVAJ-JBFGMIDGSA-N 460.531 0.564 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1785577169 KVIDDDROKXTWMH-JPYJTQIMSA-N 458.515 0.680 30 20 JCED C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1788758034 PIFQGMAHIQFFSD-UJNZZBMASA-N 450.499 0.719 30 20 JCED CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1792270824 QWPCIPWSPUANQG-XSLAGTTESA-N 465.547 0.994 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)c2ccccc2OC)C1 1792812657 NOTYVBGCZZEGHF-NSAZKJPHSA-N 471.554 0.948 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)S)C3)cc1 1793010825 GLNZFEVJMCEHDF-FDPKGLCPSA-N 455.602 0.570 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1793089305 PBZRBVQIDFDHIZ-PVMJITJMSA-N 488.541 0.867 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1)C2 1793344384 NDNMKAUZIUPNTB-GZXWBTJBSA-N 467.538 0.963 30 20 JCED Cc1c(Br)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)nn1C 1795599391 AAOBMXBDRYZEEE-MIFYACCESA-N 481.395 0.976 30 20 JCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CC(=O)NC2=O)C3)c(C(F)(F)F)n1 1796459580 WXSFFHRAPCALMW-CLLJXQQHSA-N 464.404 0.776 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1797818018 GYGNYEXVRNPSTG-ZKTCXXERSA-N 475.498 0.935 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1799320977 XHHXXZHGEDYAFO-JNIAIEOXSA-N 478.590 0.962 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Br)ncc1Cl)C2 1800774112 YQCOEJKOEXTONV-WRBXQSRGSA-N 456.680 0.789 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1800982006 UQAYXPQLNXFTHA-MBKNMEHVSA-N 477.649 0.556 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1802236339 WNQAYQVZBTXMEN-AJYBTWMASA-N 495.573 0.721 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)Cc2cscn2)[C@@H]1c1cccnc1 1802482618 MITBJVPNCPQXLS-MZKUFZMSSA-N 468.583 0.972 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccnc1)C(=O)C(=O)O 1802579321 BHNWJDRATKSIPQ-DENIHFKCSA-N 463.494 0.745 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807145746 QKUUUEZCQBQYDK-SJLPKXTDSA-N 466.479 0.094 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)NC(=O)NCC)[C@@H]1c1cccnc1 1810231766 DHYPCCAPQVSCLC-YIBVTQAGSA-N 456.547 0.653 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1811730385 UFPZJWZXLNFWGS-AUSIDOKSSA-N 469.517 0.699 30 20 JCED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1)[C@H](O)N1CCOCC1 1819445927 GVCMDQKKBGCWJA-GCJKJVERSA-N 459.547 0.751 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1819456371 HZMULXZPFOFFDR-MVAZDOBMSA-N 466.539 0.217 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCS3(=O)=O)sc2C1 1824926473 UVHLAXPFSLNPPT-ZXCURVTESA-N 452.558 0.491 30 20 JCED CNC(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)S)C2)C1 1828578913 FCRKXOJXYARFPY-KSFYIVLOSA-N 462.572 0.893 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1828808077 IULAMJKKSKUTOQ-DEOSSOPVSA-N 478.509 0.609 30 20 JCED CC[C@H](NC)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829003879 NYPQMDGNJARFGT-YADARESESA-N 470.526 0.525 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)N(CC)CC)C2)C1 1829762779 RDQRBYWILIUHKE-JGYOEJGDSA-N 450.580 0.422 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccc(C)cc3)C2)C1 1829773313 GMEUJMWJCHYTAL-HMLKYZKVSA-N 455.511 0.493 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CC)NC(C)=O)CCO2)C1 1829848269 DPVABEXQBHCGRC-JXQFQVJHSA-N 496.605 0.827 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830060599 PSUHVGWGCDVMSY-WAIKUNEKSA-N 460.506 0.950 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCC(C)CC3)CCO2)C1 1831108017 UZLYLFABJGIBQB-QHCPKHFHSA-N 451.564 0.684 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1831391909 GVNHAZOSJGHMCI-XDHUDOTRSA-N 468.510 0.042 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831490179 OTUOXTKSNXPKGU-HXUWFJFHSA-N 453.580 0.402 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC1 1832013978 OPZDMVJRXDOLRU-BSRJHKFKSA-N 458.515 0.936 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1832458275 JGVHYSHHBRECMW-HTAPYJJXSA-N 487.619 0.638 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832769905 QNOCVWVEQATMIR-HSZRJFAPSA-N 461.515 0.599 30 20 JCED O=C(O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)ncn1 1833492517 NPRKKAANUBOTJN-SIAOZKNOSA-N 486.506 0.745 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)nc1 1833603446 WHZRVNMMRQLQTA-OAQYLSRUSA-N 462.528 0.249 30 20 JCED C=C(C(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1)C(F)(F)F 1833615569 AUGAPUOPUDXVGB-UHFFFAOYSA-N 456.465 0.992 30 20 JCED Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn1 1834086575 MRHCYZQBMBTZGH-QHCPKHFHSA-N 461.482 0.917 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n(C)n3)CCO2)C1 1834124933 KRAYJAQNVOWOJP-UUOWRZLLSA-N 489.573 0.715 30 20 JCED CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1834721482 FZPHYTFLLYPYGY-VFNWGFHPSA-N 473.592 0.634 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1835098284 GRXUYGFAXPIVIR-VWLOTQADSA-N 463.490 0.975 30 20 JCED Cc1c(Br)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)nn1C 1835345631 RNAJCFZXIVZACR-IBGZPJMESA-N 466.336 0.865 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835349600 LZZNNLGAWHIJAX-WZONZLPQSA-N 480.583 0.680 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1835768140 NSQTWRUSNJYZRP-IUXLFROMSA-N 484.619 0.664 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836075664 YTWKWNVDPBRBEY-HXOBKFHXSA-N 491.545 0.294 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2)c1ccc(O)cc1 1836139349 KWCXJDJDKUHEEP-YKSBVNFPSA-N 467.526 0.637 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836378525 LTVSSDALEREGRX-VGSWGCGISA-N 481.571 0.287 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837150367 PNEVHLOCOSVXHE-CYFREDJKSA-N 457.527 0.573 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837296505 DRSHOJWZIBZRBL-OUDOVLHRSA-N 482.493 0.890 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)c(C#N)c1 1837319242 NSASKRICTCISNO-OAQYLSRUSA-N 499.442 0.671 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1)c1ccccc1 1837611474 IMFLODUWCDINSQ-JXALWOEJSA-N 455.511 0.748 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838569293 XDCGMRGCIIFLOJ-QVKFZJNVSA-N 452.529 0.224 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1Cl 1838600239 VPJVDFHKTABTNL-QRQCRPRQSA-N 460.918 0.808 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 1839072109 COHICWCWNDAQNC-IXFSTUDKSA-N 465.547 0.491 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)n1 1839362088 XBJCSSLCCMFZNH-DEOSSOPVSA-N 467.526 0.979 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc6ncnn6c5)C4)C3)c2c1 1839488309 KMKKPSXPKRZBJO-XMMPIXPASA-N 486.492 0.861 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4nccnc4CN3C(=O)OC(C)(C)C)C2)C1 1839811077 FGLDDENEVXCYLT-NTKDMRAZSA-N 485.541 0.228 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1840160585 LSQZQLQBEJOFNW-QNFHRHJVSA-N 487.619 0.379 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCSC)CCO3)c1 1840197930 CKJIZXFSOPWPLQ-UGKGYDQZSA-N 463.556 0.751 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840292704 FVNLZOBZSPILFZ-BXKMTCNYSA-N 472.542 0.643 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCOC3)CCO2)C1 1840540665 CIXPRRYYTHZSOL-IUKKYPGJSA-N 465.547 0.396 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C(N)=O)cc2)CCO3)c(C#N)c1 1840647455 HABCANLSBYOWMM-AREMUKBSSA-N 492.532 0.978 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840801867 PCKFLNWMSMEPFP-QHCPKHFHSA-N 481.594 0.639 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCCO3)C2)C1 1840842490 IYJPNJYQVFCSHS-NTKDMRAZSA-N 479.574 0.882 30 20 JCED C[C@@H]1[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCN1C(=O)OC(C)(C)C 1840963228 VUBBVDHUSQKQLC-DGGJZMOXSA-N 479.530 0.176 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843809315 UKXIIQVEKURFGU-INIZCTEOSA-N 450.499 0.961 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1845130430 RNTPXPCDUPQNHO-JKSUJKDBSA-N 475.546 0.485 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 491781248 CFCBOMNXJGRUPW-UHFFFAOYSA-N 459.513 0.229 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)nc1 516093158 LLELWOKCRZXRHH-UHFFFAOYSA-N 484.538 0.261 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 608828834 MWBJUQVPUBXKIQ-UHFFFAOYSA-N 478.505 0.499 30 20 JCED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccs2)c1=O 608912044 AWIKLTIQMWKDBQ-UHFFFAOYSA-N 460.625 0.921 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 727417860 QRFCPAPYMRLABF-UHFFFAOYSA-N 498.586 0.760 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccc(O)nc2)CC1 729363140 LIMMIGZTJNZIAB-UHFFFAOYSA-N 457.512 0.591 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 730783785 VTSCVAMTDLAOJU-GOSISDBHSA-N 477.587 0.481 30 20 JCED N#Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 731352990 GMDHPPRNAUVCHM-UHFFFAOYSA-N 456.480 0.801 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2cn(CCO)c(=O)nc2O)no1 904854566 JQEMRGALGAUGCL-AWEZNQCLSA-N 474.499 0.817 30 20 JCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 915296367 HUYKKWUOSQJIGI-HNNXBMFYSA-N 484.600 0.095 30 20 JCED Cn1cc(/C=C/C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(=O)n(C)c1=O 919046067 NLMTUKLQFWTHPU-AATRIKPKSA-N 494.464 0.109 30 20 JCED CC(C)C(=O)N1CCCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919600398 HEOXERWGUOXFNU-IBGZPJMESA-N 490.582 0.971 30 20 JCED CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1297272969 VMMFYVFHEAWCQP-OAQYLSRUSA-N 478.550 0.702 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)n1 1492746418 RYEATFKWUDBJJC-SFHVURJKSA-N 451.528 0.521 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1517628510 QUJKDSWXQGSYOO-UHFFFAOYSA-N 482.570 1.000 30 20 JCED CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1552419796 WZDJDFLEGYJEQX-IQVDJAOASA-N 493.659 0.851 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCOCC2)CC1 1691005307 ZCDHKTOABZDTAK-DLBZAZTESA-N 467.596 0.072 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1698088191 NOMIIURVAAJDDN-UHFFFAOYSA-N 453.547 0.867 30 20 JCED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1707955861 OVXBJNKMPFRGOZ-MRXNPFEDSA-N 467.530 0.678 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1)C1CCN(S(C)(=O)=O)CC1 1711044624 DMTKQKFQPGEZMJ-QFIPXVFZSA-N 490.586 0.740 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)N2CCOCC2)c1 1712686616 ZCNCSGJHTLGAJJ-UHFFFAOYSA-N 458.544 0.947 30 20 JCED CC1(C)CN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CCO1 1724011655 QVSQIASDXSTOFK-XMSQKQJNSA-N 495.650 0.852 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1767850963 MCUQVBCZTYYNJM-IBGZPJMESA-N 486.602 0.362 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1778967276 JZRZIOHCTVSDSB-GBXCKJPGSA-N 458.559 0.935 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062504 MYQDATDXDXDPAP-CGHRXAFASA-N 497.592 0.694 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC5(O)CCCCC5)C4)C3)CC2)CC1 1779066131 DJSIJAKSAQLDAL-DEOSSOPVSA-N 458.603 0.295 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1779555147 DQQQMPJYEAACTE-DCLXLUIPSA-N 482.541 0.713 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1782467194 BUVAVFKFYQILAK-PQNGQFLHSA-N 475.590 0.954 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783134641 AISXLAUYDHSGQO-ZILOHOTNSA-N 472.542 0.602 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1783766213 HADGIMWXADJCGT-UZUQRXQVSA-N 464.563 0.908 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1783862821 PDUDMWXHLDXLRD-QZKNCCJGSA-N 455.577 0.261 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784004567 FNNJRRVIKBVCCY-ZQMYSKGWSA-N 467.563 0.779 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c(C(F)(F)F)n1 1784036307 WEXGKSXTIWAVFF-RNODOKPDSA-N 465.432 0.942 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1785575012 WXKOQFHEFCKALH-NYHFZMIOSA-N 475.502 0.248 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)[C@H]1SC(=N)NC1=O 1786857837 GHZKVMBKHNOVLX-UVPYHEFZSA-N 464.592 0.050 30 20 JCED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21)C(=O)O 1786898568 MBQWYVCMSXBEKY-IKICRFKJSA-N 454.487 0.091 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCc3[nH]cnc3C)[C@H]2C1 1788534446 ZDMOKQSUCRPHHV-TYEGUXDJSA-N 461.588 0.789 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1788573498 ZPNOIRGMHAVSBD-LAQRGFTBSA-N 455.515 0.256 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4nccn4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1789971373 ZPRYFHLWQFGRAW-VJANTYMQSA-N 474.562 0.823 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380351 XSPZCJRAARYEFL-VMXHOPILSA-N 494.589 0.594 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C2 1793346915 RVBGTDXZKWPOOH-NLPMXTIOSA-N 489.573 0.473 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2 1793349884 PWNVZJWVEAVFIM-AWJHCHFGSA-N 499.564 0.386 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)C=CC1=O 1793856789 PEWMNPUNNXVMAU-MHORFTMASA-N 472.542 0.856 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794005686 BBJQAFQLKHVITR-HIRMHNASSA-N 490.517 0.298 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(O)n1 1794764536 ONNDPEQFPQCTPW-LORHWOILSA-N 458.515 0.907 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)O2)C3)c(C(F)(F)F)n1 1795997106 WIDVLFHMLPGWMK-DJBIQUGXSA-N 453.377 0.284 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1797708038 ABKYLMQJNCFZAA-MDMSPXHWSA-N 468.595 0.391 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2 1797712342 CYYPBKSOFILHIV-CWQOZTLDSA-N 483.606 0.813 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)N2CCN(C)CC2)C3)c1 1798578747 AEIFNOWWMVPWHT-IBHRTIHJSA-N 455.559 0.406 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C 1799391506 MSELYIGOVPJCFM-DFBDCSAJSA-N 470.567 0.917 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1800534489 CKDABLWBEJITBG-RECXWPGBSA-N 486.569 0.972 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2 1800981583 OBANJSSQFWREHT-XLMAVXFVSA-N 475.608 0.452 30 20 JCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1801166678 AACMLKYUOPNZAZ-TWHPPBISSA-N 463.575 0.997 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2)n1cnnn1 1801436380 DAFZCCCVQFCAML-OHTBPHCPSA-N 464.408 0.423 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2)NC(=O)OC(C)(C)C 1801932024 IJTSBTIYGVLBKT-NRUGXNMXSA-N 477.566 0.683 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCNC(=O)OC(C)(C)C 1802120654 LQBCXMALILFWAO-VKDSVZAHSA-N 464.563 0.739 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ncccn1)C2 1802125045 NVIZGUZHWCWIMJ-CLWJZODNSA-N 457.531 0.525 30 20 JCED NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1807048092 OFKJFVNGJGLIMS-WYJYPWFRSA-N 460.535 0.209 30 20 JCED CN1CCN(CC(=O)N2CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)CC1 1807144622 CBODONXTPOXSNL-IFMALSPDSA-N 455.607 0.617 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)CC1 1808816529 RGNTVVWCMBFOCP-PLNGDYQASA-N 454.531 0.330 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1810247124 SCZOERCPCCHIEI-FFZOFVMBSA-N 466.542 0.914 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814979002 AGIPXUCAZRSTJI-NHYWBVRUSA-N 452.537 0.401 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)sc2C1 1816976089 KIFDBGCIYSAFDW-GUTXKFCHSA-N 466.560 0.979 30 20 JCED NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1821036808 NKHZXINNGWBEER-XGBUMPDTSA-N 473.515 0.787 30 20 JCED C[C@@H](NC=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1 1828921458 WGEZLMFSXZUDQB-KOSHJBKYSA-N 467.526 0.877 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCN2C(=O)OCc2ccccc2)C1 1829223545 QNRYMJMNSMQABG-NBGIEHNGSA-N 487.553 0.486 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1829267360 VLFMEVQHOOCICW-SQJMNOBHSA-N 499.520 0.567 30 20 JCED CO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829365517 GEAASZMFFOZRNZ-UZUQRXQVSA-N 457.483 0.561 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)C3)C2)C1 1829668614 XHQFRYRPRHLEDB-DEOSSOPVSA-N 478.509 0.607 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)c2ccco2)CCO3)c(C#N)c1 1829825835 MJIOLWMLVIRRBY-LADGPHEKSA-N 469.494 0.892 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)cc1 1829904355 PXIJDNFHWODKRC-XMMPIXPASA-N 463.494 0.591 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC4CCOCC4)n3)C2)C1 1831396296 IZHCXKBRBQWFQU-DFBJGRDBSA-N 487.553 0.748 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1831398589 HKDVNZKKRLCYIG-WAIKUNEKSA-N 459.499 0.459 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1831403204 ZCHCJGCJZALFIH-SWLSKGBQSA-N 460.483 0.311 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)C=CC4=O)CC3)CC2)c1 1833237451 CQCQBGWAVJTUBR-UHFFFAOYSA-N 477.565 0.987 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nnc(Br)n4c3)C2)C1 1834758508 ORFUPBUZYYCSBW-SFHVURJKSA-N 463.292 0.475 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](OC)c1ccccc1)CCO2 1834918572 IYMLREKDQGWLNW-VZSVWMAUSA-N 457.527 0.689 30 20 JCED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(=O)OC(C)(C)C 1835211804 ZFGVJPGJBUHMEV-XTXAWSSWSA-N 498.577 0.839 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c1Cl 1835541124 RYXAJCQMPFZSDF-IBGZPJMESA-N 486.849 0.006 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1835675170 WAWRLSSZALQOPU-QHCPKHFHSA-N 454.531 0.915 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1ccccc1=O 1835677207 BGINSLOOBPGGPZ-WZONZLPQSA-N 459.547 0.148 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1835718204 XWWHPIFCDIUSLQ-RBUKOAKNSA-N 455.621 0.708 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)C3=C4c5ccccc5C(=O)N4CC3)CC2)CC1 1836086984 KGGHVALPTFBZRZ-UHFFFAOYSA-N 476.533 0.917 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1836289892 NJVKSIPESFNBNM-KBMIEXCESA-N 498.584 0.848 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)CCO2)C1 1836552463 IYUCXISYCQRMLD-GCJKJVERSA-N 462.503 0.941 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nc[nH]c3c1)CCO2 1836927404 ZCZVGTCTDDRLML-IYZQMXKPSA-N 453.499 0.491 30 20 JCED COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)c(C#N)c1 1837076677 HRSZXWXLFQVRJC-UHFFFAOYSA-N 497.552 0.660 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn1 1837561658 ZQHOUESUGFIERH-DBNSOCDESA-N 457.487 0.657 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1)c1ccccc1 1837614594 RRXRRCTWERDASB-NZQKXSOJSA-N 452.515 0.327 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(Cc3ccccc3)c1)CCO2 1838015585 KKFFRWRCGKQXNK-UHKPCRMSSA-N 493.564 0.860 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839035867 IJBXHHDKMPVMGR-WAIKUNEKSA-N 460.506 0.950 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839048212 PREGFMKOQIFETL-QHCPKHFHSA-N 469.546 0.010 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)C1 1839173310 JMIVTVGGHBTUIC-JXQFQVJHSA-N 480.558 0.932 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3csc(C)n3)C2)C1 1839174072 DDZSBHNNDXTFJE-NRFANRHFSA-N 451.545 0.960 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488582 ZSJCBMNGVOJLOM-FYSMJZIKSA-N 482.541 0.809 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839895582 JNPWBOKAXALMBY-GAJHUEQPSA-N 495.573 0.865 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840164949 UFLQYCVTEAASLX-DIPHDFDASA-N 499.630 0.643 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CSCC(=O)O)CCO3)c1 1840190269 NMGSTAMHEJFBEA-JOCHJYFZSA-N 461.540 0.765 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COCc1ccc(OC)cc1)CCO2 1840252970 KUWQPTBDJGUCNC-KWQGRVAKSA-N 487.553 0.527 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1 1840713735 HOXHXYQFNLDHBP-WNSKOXEYSA-N 467.482 0.899 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1)NC(=O)OC(C)(C)C 1840796125 VOTGVIICWVBMMA-UZUQRXQVSA-N 485.578 0.921 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1845223204 ZKKHIFRCPCBPLU-XAIYEHPZSA-N 468.551 0.995 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)ccc2OC)c(=O)n1C 489168771 DUKMVYOWAJFWAP-UHFFFAOYSA-N 452.330 0.484 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NCCCNC(=O)c2cccc(Br)c2)C1=O 512530420 JALPCVGFXMKUFZ-UHFFFAOYSA-N 451.277 0.662 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)cc1 518715525 WHGLDBBWTVVXSH-UHFFFAOYSA-N 496.589 0.325 30 20 JCED CC(=O)Nc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 520623599 NBBBLNCFAGJYKW-UHFFFAOYSA-N 466.570 0.993 30 20 JCED CCOCCn1c(=C(C#N)C(=O)Nc2cccc(OC)c2)sc(=Cc2ccnn2C)c1=O 523463106 LYLRSYRSRQXVQO-UHFFFAOYSA-N 453.524 0.830 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)c(C)c1 524282838 NVFKCAXKDDIJCT-UHFFFAOYSA-N 462.597 0.104 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C[C@H]3CCCO3)CC2)CC1 608923388 CSFGHOWKMURAQO-HXUWFJFHSA-N 461.588 0.188 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)C[C@@H](C)O1 608992144 WRPYWHUYCARJBW-HDICACEKSA-N 491.618 0.603 30 20 JCED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)cc2F)c1 728405051 UDAAWWJLTSVDBC-UHFFFAOYSA-N 490.513 0.993 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCS(C)(=O)=O 729673385 MRHFYTITBWQPHO-UHFFFAOYSA-N 469.610 0.062 30 20 JCED N#CCCN(C(=O)CCC(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 731253085 FSYASXFHJOXOJY-FQEVSTJZSA-N 490.582 0.588 30 20 JCED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 750960473 AKUYKPAEDXYFJB-HSZRJFAPSA-N 454.531 0.384 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCc2cnn(-c3ccccc3)c2)cc1 853704513 OGAQWNNFBJGIDX-UHFFFAOYSA-N 467.507 0.924 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1 858007155 GJRFPZKJFNUNHD-QAPCUYQASA-N 478.571 0.906 30 20 JCED COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 915375330 KLHQUCDWQAJQEZ-UHFFFAOYSA-N 463.472 0.016 30 20 JCED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 916893343 ZJPHZGZONZCOBF-MRXNPFEDSA-N 453.517 0.576 30 20 JCED CCN1CCN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918261812 ZSNWZGMCUJGCNC-CLCOLTQESA-N 464.592 0.192 30 20 JCED C#CCNC(=O)COC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1317730092 ZLWYPIIRNMJGBO-CQSZACIVSA-N 459.318 0.275 30 20 JCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359082673 OYDDXUGNVQFAGR-CQSZACIVSA-N 475.351 0.958 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 1465314783 VAXUSLLDCJQMEO-SJORKVTESA-N 458.544 0.795 30 20 JCED CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCO1 1468802122 MEEUZRUXFLXAIZ-CQSZACIVSA-N 452.533 0.867 30 20 JCED COc1cc(C#N)ccc1OCC(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1542963983 RYOCALTWHCAQBV-GOSISDBHSA-N 451.545 0.684 30 20 JCED CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1545711272 QDUUOLZKCGLAFV-KRWDZBQOSA-N 488.618 0.403 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H]4CN(C(=O)C(F)(F)F)C[C@H]4C3)CC2)o1 1617918169 LHBMLAWFKBOBEA-HUUCEWRRSA-N 454.453 0.846 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1619912733 KOBWANUEKYGCIL-GOSISDBHSA-N 468.624 0.782 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1695940216 UVBYAZWWPJHAQI-UUOWRZLLSA-N 483.573 0.527 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1729221636 KEJPJDIWOUQKOC-INIZCTEOSA-N 452.562 0.379 30 20 JCED CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729229217 SPTOQFJASMWDDG-JGCGQSQUSA-N 456.576 0.876 30 20 JCED CC(C)NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1741701510 MCUNIPRXWRYBLF-HXUWFJFHSA-N 485.614 0.899 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCN(C)CC1)C2 1780802631 XLDNKTAIFZOVDR-TXTKFYIRSA-N 451.612 0.939 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@@H](C(=O)N1CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1781063983 XVPVUOCQNODHTN-REYXVDKWSA-N 475.542 0.940 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)N2CCOCC2)C3)c1 1781149819 QBBLTCBIAYWSPH-JCTONOIOSA-N 456.543 0.645 30 20 JCED CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170116 PIZQPILTXAMMTK-QHCPKHFHSA-N 477.562 0.493 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cn4[nH]cnc(=O)c4c2C)CCO3)c(C#N)c1 1781174856 VUXJDJXUYZBUQE-RUZDIDTESA-N 490.520 0.898 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781295192 KJLXGTFCAYIOON-BTYIYWSLSA-N 451.520 0.750 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781969777 MQWGBXJXEQNNHK-XOBRGWDASA-N 468.963 0.983 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)C2 1782013506 PERCOFUGKUVVDJ-VGOFRKELSA-N 457.439 0.745 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783766069 FIVAWENGMZRPEW-FOIQADDNSA-N 490.494 0.011 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)CCO2 1783919091 UXIPSGXIGLUJGJ-JOCHJYFZSA-N 471.539 0.684 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2)NC(=O)OC(C)(C)C 1785305505 NJPPDSRZRXNEAJ-XDHUDOTRSA-N 490.557 0.601 30 20 JCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCc5nc(O)nc(O)c5C4)[C@H]3C2)CCC1 1785332870 XDHYVLYYVCIWKL-DNUAJFIVSA-N 455.515 0.666 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(C)(C)O 1785611022 KEZGNTFZNPVZGE-QRQCRPRQSA-N 450.536 0.784 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)CN4CCN(C(=O)OC(C)(C)C)CC4=O)C3)C2)C1 1785667267 PNESANYMKJVEFX-DEOSSOPVSA-N 476.574 0.862 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1788575057 BAONOAPOCSWQTK-QUSNUVHPSA-N 455.552 0.382 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788660806 NTIMOGGZVWTDGU-ARAJZDKLSA-N 484.550 0.338 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1 1789344874 HPGCHVIEBBQHMQ-GCLMUHHRSA-N 487.557 0.707 30 20 JCED CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1789839796 JGILAHZDBWEWKR-FHWLQOOXSA-N 491.589 0.643 30 20 JCED CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(C#N)c[nH]5)C[C@@H]43)cc2C1 1790525058 MHVQMDMKRIFDSB-MDKPJZGXSA-N 451.531 0.825 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21)C(F)(F)F 1790882421 BBOFWRHKBIMXQJ-MJVIPROJSA-N 462.450 0.550 30 20 JCED CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078066 TZPCULFSGFWMSB-XSLAGTTESA-N 465.547 0.851 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=S)NC)C[C@@H]21 1792256528 FEAVVKNJHRKRIR-FJIDUMEYSA-N 495.646 0.367 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C)C2 1792491377 QVAXEMCMMLIURI-LONPVHGMSA-N 488.585 0.904 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1793335276 LRHDUQMBLLFJDQ-HGJUEJDCSA-N 484.601 0.918 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1793593525 MDTKHYLQVATJMP-MVJTYMMSSA-N 487.557 0.853 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O)NC(=O)OC(C)(C)C 1793948514 VFIGFCAUSXNVKF-SPCJURDBSA-N 493.561 0.034 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOC 1795350702 KAMWKFNOAXIKLD-ZMMAXQRCSA-N 498.577 0.418 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)CO2)C1 1795420584 KLPWZVDPDYSRJD-BMFAXAFESA-N 462.547 0.906 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1ON=C(c2ccccc2)O1 1797640099 PUJDWCCOHVKSFF-HWUJXQQVSA-N 454.483 0.169 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cccn2)nc1 1798213636 GAPCLUAHORPNTQ-RMFSNUHRSA-N 453.499 0.980 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798595149 VJAPGNONQDLCQG-YALNPMBYSA-N 461.544 0.836 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 1798691045 BLBOPJLCUFJNCE-VYMYIBDJSA-N 487.557 0.707 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1799683899 SRVXISLNFMGHPI-QOIYZWAUSA-N 462.478 0.744 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1800165796 WECZYTAHQMUDQY-KHQYSNIRSA-N 464.563 0.759 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=S)NCC)c(O)n1 1800183606 GKJICVICUCZVTQ-CCWDJLKJSA-N 461.588 0.593 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c(C(=O)OCC)ncn2C1 1800325868 UHCGDSOEVKEEEE-AULKTGFLSA-N 499.568 0.070 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C3)C2 1800326728 SZSDSNUYTJDNNV-VMHJHTBXSA-N 497.552 0.924 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2 1802128725 RYDZQFRXMBPFOS-ZMMAXQRCSA-N 450.536 0.019 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C2 1804370083 JVSGYLMWZGOYCT-IECFSIQFSA-N 484.619 0.869 30 20 JCED C#CCCCC(=O)N1CC[C@@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1804389978 LYXPPYUOYQKYRH-RXVVDRJESA-N 491.552 0.338 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)CC1 1809669207 NUYRLHUXWMRDSU-WFADYGGVSA-N 483.617 0.723 30 20 JCED Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2c2cccnc2)c(=O)nc1O 1811542662 IMYYFRRJSNMICG-PXNSSMCTSA-N 461.482 0.872 30 20 JCED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)CC3)cc1 1822160740 OAXWKCIMPHOJTI-MRXNPFEDSA-N 473.580 0.971 30 20 JCED COC(=O)[C@@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2)NC(=O)OC(C)(C)C 1825889803 GUNANSZLRXHZBT-DGCLKSJQSA-N 494.526 0.600 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCN2C(=O)OCc2ccccc2)C1 1829014192 QAUKWLSCQRYWHO-DVECYGJZSA-N 495.540 0.164 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)[C@@H](O)C1 1829690527 BSNXIQXBTJDZAQ-XFAGBWLFSA-N 494.589 0.610 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)C1(O)CCC1)CCO2 1829748541 ZLBSLCDSRJALTM-IMWIBFENSA-N 493.601 0.911 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)cc3)C2)C1 1829771196 LHEPQZOXPBRKAY-KWQGRVAKSA-N 479.537 0.801 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OCC)c3O)C2)C1 1829771215 MIMMUJLCGMGCCG-XXXZYALBSA-N 473.526 0.719 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1O 1830246161 GFKVSFIBXLEVFB-HSZRJFAPSA-N 454.483 0.913 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)[C@H]1SC(=N)NC1=O 1830460665 RNHWQMFHSUFWIA-LZBHBKQYSA-N 499.593 0.750 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830882959 ZFVWKHXJRPCZCM-DVECYGJZSA-N 499.605 0.701 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)CC2)ncn1 1830957480 JWKUDYIFVQOWMX-QHCPKHFHSA-N 472.546 0.462 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1ccnc1 1830986814 GWSNYOYBQWALGI-FDDCHVKYSA-N 453.499 0.851 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1831401420 BIAKDRJZNWTYHL-UUOWRZLLSA-N 458.511 0.510 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(OC)OC)C2)C1 1831999067 PIFIZHZVOJZLFL-ZHRRBRCNSA-N 471.551 0.531 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833028984 YXBFSIAEPMCGRP-SYJLOODJSA-N 491.545 0.250 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1 1833475558 RYOLTZSPRNHGNE-JOCHJYFZSA-N 456.430 0.480 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(O)nn4)CCO3)C2)c(O)n1 1833830560 FNMYHVQVXINMNG-HSZRJFAPSA-N 469.498 0.785 30 20 JCED CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1834940032 VLNFKMFTHIGFCD-IBGZPJMESA-N 455.437 0.604 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1835096258 XGSOOHBODUPHLN-RUZDIDTESA-N 459.506 0.939 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096329 BMEKRIFLRNOYJJ-NLFFAJNJSA-N 487.553 0.380 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835362686 RMUYNPVWUFOMDB-OPAMFIHVSA-N 482.534 0.203 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835731441 NLYRCMXAISOJCN-ZVHZXABRSA-N 460.539 0.975 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1835830806 PXSDCJQWPSWRIC-IBGZPJMESA-N 458.603 0.947 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(F)(F)F 1837486963 VGJAVHYXCCNCFT-ICSRJNTNSA-N 462.465 0.455 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837497405 UVXXDAUJBCRNEE-IDISGSTGSA-N 497.592 0.960 30 20 JCED N[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1cccnc1 1837527766 VWBINAUGDKJXMX-BGMPOOFKSA-N 475.546 0.457 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1837528409 JLEZHEIVZGXJER-IEHRFDEQSA-N 473.526 0.976 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccnnc5O)CCO4)C3)c2c1 1838375705 HFLCOWXRFNBHHX-JOCHJYFZSA-N 463.454 0.314 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838581725 LCLRAXWBLXXACQ-XMMPIXPASA-N 483.525 0.794 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)nn1C 1838835545 NAMFDQFWJDFOII-HSZRJFAPSA-N 471.489 0.752 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)CC1 1838951185 CNMMKAJKELRHIP-QHCPKHFHSA-N 490.582 0.300 30 20 JCED CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1839401491 KYSVWFFVXDYUOJ-FQEVSTJZSA-N 479.331 0.527 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476305 HDGNHXNTXFNWEQ-KSFYIVLOSA-N 484.546 0.890 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839623152 PMJGDFSDRNAVOP-JOCHJYFZSA-N 461.494 0.921 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)[S@@](=O)c1ccccc1)CCO2 1839671035 NEQTXGBWVMDLJG-KDLKZVPMSA-N 489.594 0.498 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839727105 AWBXDLDSCKZOCD-UDSSINMLSA-N 463.600 0.397 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839959325 HELGPXNYYZHUOS-QAJKWOARSA-N 475.542 0.575 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840009394 YXZBTHWWNKRNIE-HKARXFIJSA-N 499.630 0.787 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCSC)CCO3)c1 1840197928 CKJIZXFSOPWPLQ-KNQAVFIVSA-N 463.556 0.751 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1)n1cnnn1 1840477146 BYCVQNQRVXLHQC-WIYYLYMNSA-N 462.627 0.742 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CCCO3)CCO2 1840658626 DJZCQAKJYINRIF-UTBBOMKLSA-N 469.538 0.940 30 20 JCED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820293 IPWZZTGLSADAQT-PGRDOPGGSA-N 463.556 0.507 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)C1 1840840392 PUJCIXAGSHZULD-QHCPKHFHSA-N 475.929 0.935 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)CCc2cccc(C#N)c2)C3)n(C)c1=O 1841984157 PLXITJVAQRHBET-UHFFFAOYSA-N 489.536 0.142 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)c3n[nH]c5c3CS(=O)(=O)C5)C4)c2c1 1845581613 KJQPFRFWHUTPHV-UHFFFAOYSA-N 465.495 0.717 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1847828028 BFRAINXDVMTXGH-JGFGOLAASA-N 454.618 0.323 30 20 JCED CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@]3(O)C(=N)[C@H]1C2=O 2048529519 LOXPRMVFVYJSJE-SUBRCPHHSA-N 456.499 0.010 30 20 JCED NC(=O)COc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)cc1 18821709 UNGNBDDURGHUOP-UHFFFAOYSA-N 474.495 0.817 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1=O 25521648 RSLHRTSYIHYLTO-UHFFFAOYSA-N 483.934 0.086 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)cc1 105048326 VQGJQTFGZMAEIO-FQEVSTJZSA-N 460.556 0.809 30 20 JCED CCS(=O)(=O)N(C)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 479756383 YPLMFTUXGQNYTE-UHFFFAOYSA-N 456.590 0.747 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 520058697 UFTHWHUGCJGUIL-UHFFFAOYSA-N 459.488 0.672 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cc(OC)c4c(c3)OCO4)c2=O)cn1 522385140 MBGAMXUFASTVNQ-UHFFFAOYSA-N 497.533 0.118 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)cc1 524282114 QMUSKDWSBFIWQH-UHFFFAOYSA-N 465.462 0.707 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2F)c1=O 603796977 SLBHFCNLZDRHCO-UHFFFAOYSA-N 462.522 0.549 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(=O)N(C)C 604270447 OTYPZLXNGKOAOM-UHFFFAOYSA-N 476.942 0.408 30 20 JCED COc1ccc(CC(=O)N(CCC#N)CCCN(C)C)cc1S(=O)(=O)N1CCOCC1 604441405 IIJMCLYGFLHDOM-UHFFFAOYSA-N 452.577 0.953 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(C)c2)c1=O 609220260 SKUGKLIUACRHHW-UHFFFAOYSA-N 473.526 0.672 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(SC)c(OC)c2)c1=O 746484343 WVUNXSGHJWPYLG-AWEZNQCLSA-N 477.608 0.941 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c1=O 748785947 QNGSKEHQVVAKRP-UHFFFAOYSA-N 460.512 0.891 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 811831394 IXIMOGBNCIXQSO-MRXNPFEDSA-N 473.507 0.721 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)c2)CC1 849202835 UOFFFCNXESKCDL-OAQYLSRUSA-N 462.528 0.505 30 20 JCED C[C@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)N(CCC#N)c1ccc(F)cc1 856409110 DIRHVRKXGFGUNM-ZDUSSCGKSA-N 456.434 0.451 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)o1 914684130 ZAWMNHQDZKYMFU-UHFFFAOYSA-N 467.891 0.661 30 20 JCED CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 918822388 CWIJKGRQMABIDQ-AEFFLSMTSA-N 478.571 0.810 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919644408 BKNGMQZVUASJDX-OCCSQVGLSA-N 465.484 0.567 30 20 JCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)CC1 919994092 NMMBBRXGZAZCAW-UHFFFAOYSA-N 477.568 0.300 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1504888192 KURHKWAAACYWQZ-HOTGVXAUSA-N 494.540 0.810 30 20 JCED C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N1CCOCC1 1510035913 SZOJFQBACKRQBU-GOSISDBHSA-N 453.547 0.832 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N1CCCC1 1636208071 SKKSVYYROICYNM-MRXNPFEDSA-N 456.590 0.682 30 20 JCED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1661310455 ZNZCGHFVAQDEKC-UHFFFAOYSA-N 451.615 0.220 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1696477446 WVIIRADYWRTDDO-UHFFFAOYSA-N 473.603 0.898 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c1 1711418520 ZZBHOTYCUNWUJY-FQEVSTJZSA-N 461.523 0.799 30 20 JCED CCS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1766732293 ZEPZUERJAIHSCX-HNNXBMFYSA-N 459.580 0.547 30 20 JCED CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1768114686 MDAPDVOQFUNIHT-QRVBRYPASA-N 476.559 0.727 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1770343213 KDKRPZIADROXEB-CKEIUWERSA-N 460.557 0.046 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1778970021 DDHQUMKCRXYGHM-DMPWYTOCSA-N 455.552 0.275 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2 1779268771 CKLBUASWBCJURR-MIZPHKNDSA-N 467.632 0.999 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 1779418135 ONCFNKPRVZKSSH-ZLBCRMHBSA-N 450.536 0.556 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1781292180 UKSVAMURYPGXOZ-IIBYNOLFSA-N 473.592 0.720 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)ccc1F 1781298552 KSUMRKSNOSWLNH-QFIPXVFZSA-N 465.445 0.115 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781379861 GSQSWOMPYMDKBP-NFBKMPQASA-N 472.579 0.494 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CN(C)C1)C2 1783268197 CWRRIXSQQULPPN-KHCICDEESA-N 462.591 0.979 30 20 JCED CCc1c(Br)c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nn1C 1783563265 ZVHMYAMBVPVNQM-SFHVURJKSA-N 453.293 0.277 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1784783501 BRNSHARERWGWOB-SPOLIRPYSA-N 478.590 0.962 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1)c1ccccc1 1786791526 DIXVJDWGDFKVBJ-WOZUAGRISA-N 477.498 0.888 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCOCC4)n3)[C@H]2C1 1787656412 LZQCAIBFULCRQW-IWFBPKFRSA-N 456.543 0.550 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)CC1 1788111861 YITSFXKXIZFWQE-KBIZCEMZSA-N 483.635 0.109 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1ccc2nncn2c1 1788374708 PSBQKHSJIUMROJ-KBXOYDNSSA-N 456.503 0.852 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1788470031 UVZDGJKOZPWYOS-ZVVDCOBXSA-N 458.515 0.535 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1788678930 SGORAIQPVVUMOP-KQAZBYDNSA-N 461.544 0.481 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1789840974 WNTQAWXNXLQQRD-HAGHYFMRSA-N 478.590 0.799 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791070352 LHAYUJRZNIEDRB-AUCYZEHXSA-N 489.569 0.947 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1792888976 KAOVTCLTFZRRPH-WTLGNFPFSA-N 498.540 0.523 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@H]1CC[C@H]2CCC(=O)N2C1 1799151306 PSQHNKDGKRKWAD-KLJBMEJHSA-N 457.571 0.676 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(OC)n(C)n2)C3)c(C#N)c1 1799238440 FTAJVEFODBGPKG-FAQVEIGNSA-N 453.499 0.755 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnn4c2OCCC4)C3)c(C#N)c1 1799239414 DXTMNCOIGDDAEB-OPMZPASUSA-N 465.510 0.992 30 20 JCED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1800839858 PWKCPOXHLANVJK-GQEURGSBSA-N 489.569 0.769 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2)c1ccc(O)cc1 1801056792 UVVHNAHGDQQICY-ZUVQJFRASA-N 468.598 0.726 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801991543 RKIFYRSOFKQZQQ-RCJHGTSTSA-N 483.525 0.865 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801991744 LTVBBQICKDSKGK-JSJNYSNDSA-N 474.514 0.370 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CN(C)C1 1803317389 COKHSVZYEJGRCX-RDGPPVDQSA-N 493.605 0.992 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804192280 LRAWAVFMTQNEBN-IHPCNDPISA-N 468.645 0.772 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1808412433 HIFYNMVQRUJBQM-KGOJFESUSA-N 490.630 0.985 30 20 JCED C#CCCC(=O)N1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812443298 HETOVFDVBKEBLV-VQQMMKBISA-N 483.594 0.681 30 20 JCED C=CCC(=O)N1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812443352 JZJNAPCJWKFNTO-LXGFNABISA-N 471.583 0.844 30 20 JCED N#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CC2 1814502612 LJHUCENTPILOEM-FPMFFAJLSA-N 476.584 0.539 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815690779 LQRUYQPPOUPSBG-TZMCWYRMSA-N 474.547 0.658 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1819456783 SHNSOOOWEGJHRW-SLVQHOKSSA-N 458.475 0.856 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=C\C(=O)NC1CC1)CCN2C(=O)OCc1ccccc1 1829116744 YESZCPQZZHAJLE-BOWHEOPPSA-N 464.522 0.907 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1829465619 ABRWYCFSPJKUGK-DVECYGJZSA-N 454.527 0.986 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)cc1 1829904017 KFCSSYMGFJXWSW-HSZRJFAPSA-N 465.466 0.359 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1829905959 OZEKVXQTEWFNEG-NLFFAJNJSA-N 469.586 0.193 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1830573868 CZTVELLUEDJDMI-DRSNIGMVSA-N 486.566 0.129 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1830778767 WJXMPXSQLSZOTB-ZYLNGJIFSA-N 492.617 0.844 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1)NC(=O)OC(C)(C)C 1831280791 JFCLRRAUULXRIF-GAJHUEQPSA-N 482.578 0.438 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2)C1 1831325408 XWSMYUNWAAWPEC-UEXGIBASSA-N 457.593 0.539 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)cc(OC)c3F)C2)C1 1831397651 VADSYKZOALWQBQ-HJPURHCSSA-N 464.490 0.951 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1831420360 XNCSEQGQMUXTNW-VBURHUQHSA-N 476.530 0.040 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1832000444 PKAASBUFYSHGRA-JPYJTQIMSA-N 482.578 0.438 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCc3sccc3C1)CCO2 1832585405 ILFHQPJURLASGL-PKZHZFTJSA-N 488.610 0.421 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cc(F)ccn3)CCO2)C1 1832847250 DVAJQVLVVLTBRA-QHCPKHFHSA-N 461.538 0.892 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833024594 UGYDYKWWQICXPL-IVZQSRNASA-N 478.571 0.368 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)CC2)CC1 1833466929 VFTUSVNULWVCNM-OALUTQOASA-N 469.586 0.810 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834767038 LRZHSVNKFOCRDX-HOYKHHGWSA-N 492.573 0.630 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c2ccccc21 1835099177 BFRLDVKFVQIHLD-MHZLTWQESA-N 488.544 0.848 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835341855 JTAPSRQTEYCLTA-GOSISDBHSA-N 452.309 0.556 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348312 VOJCJSZYLOTVPH-QMHKHESXSA-N 476.530 0.673 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835356700 HELQFXAQHMLKJZ-IUKKYPGJSA-N 480.562 0.364 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835377479 ZIRWWQHURQDFQH-GOMHLSDKSA-N 452.552 0.458 30 20 JCED N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccccn1 1835701626 KYXVTMIZVAQCDK-GFQUCCESSA-N 461.519 0.067 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)s1 1836080592 VTUOEECUXGUVEY-DAZNYIQLSA-N 467.548 0.374 30 20 JCED CN1CCN(C2(C(=O)NC3CCN(C4CCN(C(=O)c5cc(C#N)c[nH]5)CC4)CC3)CC2)CC1 1836376646 IBLKMLGFHUMUQO-UHFFFAOYSA-N 467.618 0.852 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1836867287 LKVWQSJZTRMHME-LJQANCHMSA-N 464.607 0.740 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1837391745 VJDHZZPBJCKVQA-VZNOKATJSA-N 485.581 0.889 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1837502778 OKDBYIBZSSRWCF-SIKLNZKXSA-N 452.504 0.131 30 20 JCED CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)C(C)C 1837528649 MEJCYGUGNGPIRT-AJTYFSBPSA-N 469.535 0.560 30 20 JCED CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)C(=O)O 1837884383 CGEKVLPHEOGKOR-QLEVFDGYSA-N 468.551 0.577 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(OC4CCOCC4)n3)CCO2)C1 1838353146 DSBGFRXGQBDCKO-KBMIEXCESA-N 487.553 0.748 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1Cl 1838595909 JKTQEFGVXVGROA-NRFANRHFSA-N 473.873 0.797 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC[C@H]5CCC(=O)N5C4)C3)C2)c1 1838739444 SYUAJKYRLJNWPJ-BSRJHKFKSA-N 455.515 0.357 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(C)=O)c1ccc(F)cc1)CCO2 1839039233 ZXKRHPWIXWNPBH-NYQDVAGCSA-N 475.517 0.498 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)CCO2 1839074974 OFZMJYIRQYUPOL-IEGUWTFLSA-N 467.563 0.737 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(OC)n(C)n4)C3)C2)c(C#N)c1 1839132301 COBRPCHHXUHENO-XMMPIXPASA-N 483.525 0.622 30 20 JCED Cn1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n1 1839186244 IHJYDRMULRYGDR-QHCPKHFHSA-N 455.490 0.672 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)c1 1839452218 OCYWBJGYNDMNSP-REWPJTCUSA-N 469.567 0.963 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnc(O)[nH]5)C4)C3)c2c1 1839488171 BPLUNECEOBPFEW-OAQYLSRUSA-N 451.443 0.247 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(C#N)cc(OC)c5)C4)C3)(C1)C2 1840005923 BRMRVOYQTJLRNP-STEQJIOHSA-N 483.521 0.980 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1840026466 KYNGPZMLUJYBCC-HOIFWPIMSA-N 455.552 0.683 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3[nH]nc4c(Cl)cccc34)C2)C1 1840043260 OEQNBXVREBPQKP-NRFANRHFSA-N 460.874 0.303 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840045063 PBJNGOMKVOYFQS-ZEQRLZLVSA-N 493.557 0.568 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840164805 QKULFGXGZVQJOV-IVZQSRNASA-N 498.602 0.527 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1840171270 YTGUHGRUFUCTSV-GAJHUEQPSA-N 480.562 0.015 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)N(C)C)C3)C2)cc1C#N 1840763273 SHVGCAKBIYJQKZ-HSZRJFAPSA-N 458.515 0.504 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840772712 KUDFSZSGFDENRB-ZHRRBRCNSA-N 484.546 0.890 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815060 UUZGKVXJHCIULZ-HXOBKFHXSA-N 480.562 0.412 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818767 WNVMWQYODSBKLK-NTKDMRAZSA-N 467.526 0.926 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)o1 1840819035 LIUVLFCTZRRTJB-JOCHJYFZSA-N 455.471 0.328 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880629 BRNOKKUOQXOHQG-REKSSAIRSA-N 476.526 0.846 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1)C(F)(F)F 1840897143 NLIYAUYOIHEGID-MRXNPFEDSA-N 467.491 0.422 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(C)n3)C2)C1 1840906868 KUYOLFBKSXLXAT-HXOBKFHXSA-N 476.530 0.970 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)CC1 1845136978 SHXHPNGYAIZRKY-OAHLLOKOSA-N 488.545 0.329 30 20 JCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCNc2ncccc2C#N)c1 108138027 MCTJIZWLEIHOAZ-UHFFFAOYSA-N 458.544 0.882 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)c(Cl)c1 502063959 PMMAMXTWPFVLMD-UHFFFAOYSA-N 461.906 0.691 30 20 JCED Cc1nn(C)c2ncc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc12 507531906 OAWMNLMDLWWWRH-UHFFFAOYSA-N 460.541 0.844 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 515924202 USFYCFUISPSOCN-UHFFFAOYSA-N 475.592 0.545 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OCCOC)c2)c1=O 523732842 HXDZMANVYBZWFL-UHFFFAOYSA-N 487.578 0.333 30 20 JCED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 604169260 WPZNANDUECZVCZ-UHFFFAOYSA-N 485.570 0.557 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O 748565515 WMXRMELXARRPTO-MRXNPFEDSA-N 491.545 0.281 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCNC(=O)c2ccco2)CC1 748841576 VKSNZNZOIJOCET-UHFFFAOYSA-N 474.495 0.347 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(Br)c2)c1=O 914564778 BTMPEWNWUBASGU-UHFFFAOYSA-N 484.397 0.742 30 20 JCED COc1ccc(CC/N=C(/NCCn2cncn2)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 1120460104 FOAYGBZZADHMPP-HXUWFJFHSA-N 475.619 0.975 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1293245028 YPKHTTIJCQRUEA-AEFFLSMTSA-N 458.544 0.878 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CCO1 1299155088 NBGXLBBRCWMXJT-FXAWDEMLSA-N 469.546 0.401 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(C)(=O)=O 1314742001 ZXHZKPRFLREXKG-KRWDZBQOSA-N 482.588 0.164 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)c1 1316336217 NCYRHMVNNWKXHT-IBGZPJMESA-N 482.563 0.826 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)N(C)C 1541942135 XWHMTNFQNDZYMX-CVEARBPZSA-N 461.596 0.432 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCN(c2ccncc2)CC1 1609507675 UYYHTHSIDBNTTA-HXUWFJFHSA-N 467.578 0.752 30 20 JCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN(CCO)CCN1CCOCC1)CCCC2 1615790307 XDXZIAMUJIENOV-LJQANCHMSA-N 459.591 0.983 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)c1C#N 1693406647 LTUFPHUHCLVBPC-QGZVFWFLSA-N 475.623 0.923 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(F)(F)C2)C1 1712706422 LKABCRGKTSUDFW-KKUMJFAQSA-N 460.507 0.775 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCN2CCCO)C1 1712707554 YMOAHNDOCNSBRK-RBUKOAKNSA-N 481.623 0.198 30 20 JCED CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1728209460 XACHKPIQIQBZCB-KXBFYZLASA-N 453.569 0.267 30 20 JCED CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1767806357 MKFNNCTYINUNSP-QGZVFWFLSA-N 457.560 0.515 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)n4[nH]nnc4n3)C2)cc1 1777820337 ACVGBVBYEDLZNT-WZONZLPQSA-N 476.497 0.054 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(O)cc1 1778360946 CAUHMCWTISMXIU-GBXCKJPGSA-N 487.509 0.876 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)C3)CC1 1778908223 JESFIWLQSIHRPS-KAGYGMCKSA-N 454.637 0.619 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778938987 GAQIWKAXQSEQNB-HOYKHHGWSA-N 483.525 0.563 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)N(C(=O)OC(C)(C)C)C1 1779097297 UWQFUIAAGGNUIJ-NRYAXDJKSA-N 494.589 0.033 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1779243189 ONRXPDAFFUCYIT-RHGYRFJNSA-N 492.642 0.989 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779949305 CJDKTRDHXBPALB-QHCPKHFHSA-N 498.565 0.657 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c(C(F)(F)F)n1 1780246825 XDXQWUNGGUDHJO-IBGZPJMESA-N 462.388 0.813 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781380832 SJPGONSPMHCTIR-HYBUGGRVSA-N 486.606 0.476 30 20 JCED O=C(CN(CCO)CCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/C(=O)c1cccs1)C2 1781837262 JHZJQBPSHPWFCJ-WUAAAKIRSA-N 479.599 0.288 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1783150729 LWXIIPHZOFXLEP-VGOFRKELSA-N 452.552 0.812 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1)CCO2 1783561600 BNWWSZZLZXBIOU-RNHFSVANSA-N 499.520 0.066 30 20 JCED C[C@H]1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CN1C(=O)OC(C)(C)C 1783568589 IFSSZEKVZHLQSL-YGKZAACZSA-N 463.531 0.940 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(F)F)CCO2)C1 1783882972 BDVVTFYVQKMEFK-LHSJRXKWSA-N 490.504 0.887 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@H](O)NC(=O)OCC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089785 HKOIMYXDVDPFSM-HKARXFIJSA-N 496.561 0.446 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)COCCO)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784094412 XHYRGFGHKAKUPA-JTSKRJEESA-N 453.536 0.391 30 20 JCED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21)c1ccccc1 1788708707 WWXXTZSUHMOISC-WIYBCGNWSA-N 454.571 0.756 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnn3)[C@H]2C1 1788857835 KIVIWYLZQIGIMG-CAMMJAKZSA-N 457.531 0.987 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1)C2 1792484135 AZWFAYOLULWJOS-JLKQPTMGSA-N 488.585 0.904 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC=C)NC(=O)OC(C)(C)C)C2 1792484470 INPKXEAKVAAYNX-QBWSZWEKSA-N 476.574 0.904 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C2 1792484712 LECFIWZGMJDCCF-WJWHXZEHSA-N 464.563 0.738 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 1793009399 FEVAYAGXYQJFHT-HZKQSDJQSA-N 477.583 0.290 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1793599945 MLEDVBYXMQQUIX-NQNKBUKLSA-N 463.539 0.293 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(=O)n2O)c(C#N)c1 1794360283 ZDYIMCQLMPQLQY-FAQVEIGNSA-N 452.467 0.412 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)OC 1795135438 ACTUFRDPJYOXMH-RCJHGTSTSA-N 451.520 0.446 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CCC(N)=O)C3)ccc1Br 1799708279 PLMWVCYZXMXRSW-KPEUIFRASA-N 478.347 0.117 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799830097 KDMUVSNAAKBBDB-WZEOQFAXSA-N 499.593 0.338 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)[C@H]2C1 1800722177 NSFUHCWAPADKDE-AHMLEJMPSA-N 489.569 0.947 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1800991849 KWQJWIQCVRCAFG-KYHREEPGSA-N 463.575 0.997 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)n2ccnn2)C3)N(C(=O)OC(C)(C)C)C1 1801103150 FEHRMQLPWMMCMF-OYSTVDSJSA-N 474.562 0.994 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)[C@@H](C)CC)C2 1802125554 YZUKJPAWFZLGEK-UIFYRBHJSA-N 451.564 0.900 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(O)c1)C2 1802128183 PNJBVEMIAGEQLJ-NBMJBFSESA-N 458.515 0.907 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)CC1 1812881931 GDEHIXGCBRPREP-CVDCTZTESA-N 499.568 0.728 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1812978979 BIRYALVPYQTATN-OKYOBFRVSA-N 460.579 0.843 30 20 JCED C=CC[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 1825118359 HMOINLNRBGWAJF-STQMWFEESA-N 485.570 0.715 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccn1)CCN2C(=O)OCc1ccccc1 1828683944 TXJLRRPEKUBBPW-XMMPIXPASA-N 477.477 0.630 30 20 JCED Cc1ccn(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n1 1829330785 QNURRMMXRDJDFP-VWLOTQADSA-N 493.520 0.732 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1829333743 DLNTXJDOTUIIBO-ZHBSTKLQSA-N 491.504 0.963 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829896674 VUGWEXZZBIDGOC-NBGIEHNGSA-N 492.617 0.701 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902646 WLWVOJFHOANMGV-DEOSSOPVSA-N 453.543 0.839 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1830393458 OPVUVVQWOCVZNQ-MSOLQXFVSA-N 465.547 0.970 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831209534 NFUAXDNFASUWMY-XMMPIXPASA-N 454.527 0.402 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)SCC(=O)N4)C2)C1 1831394156 XRFACZKDYIFAEO-QMHKHESXSA-N 473.551 0.839 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1831397599 SZCOYAZAQBFOJP-GAJHUEQPSA-N 453.499 0.580 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1831428037 XRLXFINEPBFEQF-UUOWRZLLSA-N 472.542 0.388 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246353 DBRAGSFKLUBSIM-XHDPSFHLSA-N 460.446 0.752 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccnc1Cl)CCO2 1832716153 GQHRSBWHAIEQBB-LXHZQTKUSA-N 462.934 0.592 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)c1cccnc1 1832725752 CQUKBKFCUQYOGJ-RUZDIDTESA-N 462.506 0.320 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834357660 UQBTUIIVRIZQPP-OBKNTDCBSA-N 450.467 0.820 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338538 KQWXVDIDBPWUGU-QHCPKHFHSA-N 480.562 0.678 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)[C@@H](O)C1 1835356587 DXOIAHGKMJKVBQ-NWVWQQAFSA-N 494.589 0.755 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 1835576500 SAHDMNQOYNKVMD-UHFFFAOYSA-N 454.483 0.291 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1835674058 DMBUKRZUZGNTMT-QFIPXVFZSA-N 455.519 0.081 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836165738 AQAVIHWTCNFNPF-MBSDFSHPSA-N 477.562 0.809 30 20 JCED CCn1c(-n2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cc2C)cccc1=O 1836259399 ADKLPFFAZLYPHO-AREMUKBSSA-N 493.564 0.846 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836650753 MDAXAOXJRRCYRR-XFHPJVTCSA-N 473.526 0.976 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)CCO2 1836723531 LPUJNYYGDRLMNL-KOSHJBKYSA-N 479.574 0.738 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)CC1 1836762637 WXUPTZMYLZKQBZ-AREMUKBSSA-N 497.596 0.111 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)c2C1 1836776258 OVTZSEYYRGUEPN-QHCPKHFHSA-N 488.545 0.617 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837044528 DBLRGFWGPXEGEK-YOXWTLATSA-N 459.528 0.324 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)cc2C1 1837492756 RJJIZIQFVJWLIV-SANMLTNESA-N 499.612 0.487 30 20 JCED Nc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)s1 1837526087 BLHWKIJKBCMKRZ-NFBUDXKYSA-N 453.521 0.324 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1837533434 UBAAOAFJKWFXOZ-WCQUILQHSA-N 452.552 0.458 30 20 JCED CN(CC(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)C(=O)C(=O)O 1838400326 CHVRCOCLRKYBOE-UHFFFAOYSA-N 477.558 0.227 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1)CCO2 1839052443 WIFITSMQWQULPB-NBGIEHNGSA-N 499.520 0.378 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1839224940 TWZDNHTYDXLOSR-JXFKEZNVSA-N 451.549 0.826 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cncn1 1839489040 MIINZTKKPWWYMG-OYHNWAKOSA-N 464.486 0.357 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)cc2C1 1839622014 GVCGQUHRKWMEDF-QHCPKHFHSA-N 467.530 0.302 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COCCC13CN(C(=O)OC(C)(C)C)C3)CCO2 1840008284 FBLAQAVERKTUIV-MHECFPHRSA-N 477.558 0.350 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840168967 AUQKHBRFGVWQEQ-MBSDFSHPSA-N 467.563 0.522 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncnn4C)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251599 OFRQQVGSEAVFKT-GAJHUEQPSA-N 490.561 0.451 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840252107 NNENIPANLUAQEJ-NXMSCROESA-N 494.589 0.520 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1840293608 LVPLMOLVJYAWNO-RUZDIDTESA-N 492.536 0.834 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840488654 VFHBKCNBUXMQDJ-ZFTMLNQLSA-N 463.494 0.897 30 20 JCED CN(C)C(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1840788965 GJIZTLMPCDAYGA-XMMPIXPASA-N 465.510 0.972 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)c1ccccc1)CCO2 1840799326 SMLNSBNDSLZZMC-RRFNBQSRSA-N 484.553 0.121 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1840820098 YOFVSQUDXIYWEY-HXUWFJFHSA-N 494.430 0.844 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840908580 OHJIEIMBGAHCLU-KSFYIVLOSA-N 499.586 0.177 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1[nH]nnc1C)C2 1844215592 XJIBRUVKYLYERW-OAHLLOKOSA-N 491.549 0.736 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1845199349 UBDKUOCXUIEEDO-HNNXBMFYSA-N 463.535 0.601 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 409843732 PHKXNVBHRABGOF-UHFFFAOYSA-N 497.573 0.626 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3csc([N+](=O)[O-])c3)c2=O)cn1 522390331 FTJKSFZEYZDIGO-UHFFFAOYSA-N 474.524 0.351 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 522538705 REOYNKMFHNYPHI-UHFFFAOYSA-N 462.531 0.572 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(F)cc3)CC2)c1 603263913 ROXPVTRTWBHVGM-MJGOQNOKSA-N 459.503 0.565 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)c(Cl)c2)c1=O 604269916 IRVFUVWSGZYZBS-UHFFFAOYSA-N 495.388 0.667 30 20 JCED CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(=O)N(C)C)c1=O 604270120 GPQRBCLRXKBHMF-UHFFFAOYSA-N 494.573 0.668 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)cc1C 604270282 KWTSQMZPKPRYLE-UHFFFAOYSA-N 468.579 0.877 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cc1F 604270502 UGHPWLDMVWIZQE-UHFFFAOYSA-N 460.531 0.421 30 20 JCED N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577731 UOCAMTDGXNBWLU-UHFFFAOYSA-N 489.542 0.213 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(Cl)c1 726961204 GAJWMWHKELHRMU-ZDUSSCGKSA-N 487.969 0.949 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCOCC2(C)C)cc1 728409407 AOYGWDFHVSBHSL-MOHJPFBDSA-N 465.576 0.665 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)CC1 728533914 BRIHJZCUGNEHRO-UHFFFAOYSA-N 476.599 0.380 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCS(C)(=O)=O 729675129 STKRPJNPHODUHB-UHFFFAOYSA-N 485.534 0.583 30 20 JCED CC[C@@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)OCC(=O)NCC#N 731241238 TUBIMBACKVMBRM-PXAZEXFGSA-N 472.951 0.918 30 20 JCED CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 749007675 HXBJKOHMPZZCHI-INIZCTEOSA-N 465.528 0.993 30 20 JCED CCOC(=O)N1CCC(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 749275058 RFSXBYLGKHAMBU-UHFFFAOYSA-N 452.489 0.117 30 20 JCED CC(=O)c1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n(C)c1 757846908 FQKCSGKDJNRWKD-UHFFFAOYSA-N 458.496 0.789 30 20 JCED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@H]1COc2ccccc2O1 831250268 VRWHDSUFRNUWTD-GJZGRUSLSA-N 473.507 0.955 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)cc1C 838956787 VCMWCURBVXIFFV-MRXNPFEDSA-N 451.552 0.904 30 20 JCED COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 856693553 GLDLPBVTMNFYNE-CQSZACIVSA-N 451.501 0.835 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)c2c(O)nc(=O)n(CCC)c2N)ccc1F 914462580 YNXISPNKTUFLGP-UHFFFAOYSA-N 483.522 0.838 30 20 JCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 917134322 QLNXDXSEOGGDIF-HNNXBMFYSA-N 484.600 0.047 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 918452650 SLPKJCWZLIAEIU-NLRVBDNBSA-N 487.542 0.552 30 20 JCED Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1138262957 YMQOOGLQFKVERZ-UHFFFAOYSA-N 453.547 0.866 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1315752287 NCNWLNPLCBSJDQ-UZUQRXQVSA-N 470.530 0.564 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1501432262 NITBCEGVQGDRGM-UHFFFAOYSA-N 494.600 0.951 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(O)cc2)C1 1620170938 PENPWARCRZSRDZ-VQIMIIECSA-N 450.496 0.807 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(-c2ccccc2)c1 1692799052 FFQGCCWQFIJFBA-CRAIPNDOSA-N 456.532 0.851 30 20 JCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1741046266 ZOAUBMPIHXLDRZ-SFHVURJKSA-N 457.560 0.767 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CC[S@](=O)CC)C2)C1 1778821786 BTRKTAPBYCLMDW-JJABLZQASA-N 469.604 0.892 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779420501 UJEXJAUDRQJYLP-MFQFRKDYSA-N 452.552 0.944 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)NCC)C2 1780738416 BOQLUFLFXXYLMK-GSHUGGBRSA-N 452.552 0.717 30 20 JCED O=C(CN(CCO)CCO)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)CCO2 1783260733 WKAMTXHQPCDFNF-MUUNZHRXSA-N 491.588 0.817 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784262774 KHIUQJBYMHJFNH-QVKFZJNVSA-N 452.508 0.089 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1785575492 CUEJPCHTZIHSJF-QRXVHFADSA-N 462.547 0.773 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1785624918 WRKRAGPZOJJCSD-WAIKUNEKSA-N 492.577 0.462 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786721087 LJUMUGRWJQAYFZ-MUGJNUQGSA-N 480.606 0.768 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1788657839 AJQLTGVGCPKXEI-BIFQHNFYSA-N 465.425 0.601 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1788678569 JAQZTDZOYNJERD-GMZFGXKRSA-N 466.560 0.104 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)C[C@@H]21 1788777525 AXBBMDHAGXACAF-UUXHPUJUSA-N 462.934 0.956 30 20 JCED C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21 1789878842 YERBOBNVFWCJQO-APYUEPQZSA-N 453.421 0.700 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C[C@@H]21 1792172011 HTUVGPUABBGBGC-KNJMJIDISA-N 463.575 0.997 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN(C)C(C)=O)C[C@@H]21 1792261281 GRCQFVNFKQANFD-HAGHYFMRSA-N 478.590 0.751 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1792267829 IWQGZQMJGVBZAI-CKOFKNITSA-N 485.603 0.480 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1)N1CCN(C)CC1 1792423750 IYZZUZSQOJTMCM-UWSZBUKDSA-N 453.587 0.716 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1c[nH]c(C)c1C(=O)OCC)C2 1792484762 OTYIXRDFBMXSNW-BSQMBTRLSA-N 486.569 0.880 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cncn1)C2 1793600184 YNEQDVYWGNYJDE-UYTYNIKBSA-N 462.551 0.898 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(O)n1 1794764535 ONNDPEQFPQCTPW-HIRMHNASSA-N 458.515 0.907 30 20 JCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(I)ccnc1F)C2 1795081213 VTYFKGALVHGTMY-WDAIWFPHSA-N 458.231 0.942 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C(C)C)n1 1796635836 BRRKSZBGLOJQME-XMTFNYHQSA-N 474.562 0.979 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C(F)F)c1=O)C2 1797742238 MXDFOOPMSHGBLQ-PBOZNOTHSA-N 451.474 0.918 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(OC)nn2)c(C#N)c1 1798371868 MRHOGUNCQMNVGH-FAQVEIGNSA-N 451.483 0.811 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CCc1ncccc1-2 1798476337 WUSPGNZIWZTVBJ-VLTQWEFMSA-N 476.537 0.632 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799411232 CKZZUUBKXHJXDX-SFNKJDCFSA-N 462.551 0.727 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2nccn2)CC1 1799411249 DLZJBKDANKJAIZ-IZZQQSIFSA-N 487.561 0.409 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1 1800778413 USQAECDJGJXMLE-JWVYWZTKSA-N 477.558 0.947 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)C1 1801049848 HBJOAERXBUCULR-BMCPXHGSSA-N 462.547 0.642 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)C1 1801980942 VBIMMTJWQJHVGV-MTHXSQLBSA-N 476.574 0.888 30 20 JCED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)cc1 1802574978 GRSOUIUIOYGKPI-AUSIDOKSSA-N 460.494 0.754 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1807688290 XERDIVHVVUECAM-RYLXDESZSA-N 486.525 0.546 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)CCOC1 1808590005 DZOZXSJYGKMJOI-WPSZSDGUSA-N 486.525 0.859 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1810278832 MDIZQGMEALPZMF-POHYDNSXSA-N 455.519 0.111 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cnncc2C(=O)O)[C@@H]1c1cccnc1 1810792612 HILHIQHCIBNURF-GLPQSPQZSA-N 464.482 0.748 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CN2CCCCC2=O)[C@H]1c1cccnc1 1812975101 VZRSZESBOXTRSO-CLGYPTBXSA-N 453.543 0.958 30 20 JCED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1821875414 YRMHHSNMUDOGPI-AWEZNQCLSA-N 454.512 0.890 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCOC1=O)CCN2C(=O)OCc1ccccc1 1828562600 IGELVVMRTQLGPR-QHCPKHFHSA-N 469.498 0.804 30 20 JCED Cn1ccc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1828719919 SPMMLIKLCCHUOQ-XMMPIXPASA-N 479.493 0.574 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cncnc1)CCN2C(=O)OCc1ccccc1 1828725536 IJVPBUOIGGUQIP-DEOSSOPVSA-N 477.477 0.630 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCN2C(=O)OCc1ccccc1 1829261535 SSPXVPOFYAXECV-CVDCTZTESA-N 488.566 0.929 30 20 JCED CN1CCC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)C1 1829334244 FQKBFSGJRTVDKT-HFZDXXHNSA-N 496.564 0.868 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1829765106 GSLBNNHGTLYMQA-BNOLWBGWSA-N 486.554 0.202 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1829856235 JJVUIEAPQGUQMU-UTKZUKDTSA-N 497.474 0.957 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2)c1ccc(O)cc1 1829958859 BRMALHJVSGZXID-YZIHRLCOSA-N 483.565 0.872 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1 1830217320 OBCQXYZCOIJLRW-QUWONWARSA-N 491.541 0.714 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)Nc4ccccc4)CC3)C2)C1 1831387691 JEKSQCLYZYHDLS-DVECYGJZSA-N 469.538 0.900 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC(=O)O)CC2)CC1 1831671651 ULESGOVHEMWLNV-SFHVURJKSA-N 453.561 0.366 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1832458686 VMZXBVWGTARCQR-OAQYLSRUSA-N 480.612 0.267 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc4cccnn4n3)CC2)CC1 1833074971 JEVYXAJNIOHAGN-WAYWQWQTSA-N 465.558 0.773 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCN(C)C4)CC2)CC1 1833466770 OWHJGMGXYZQJCR-IBGZPJMESA-N 470.618 0.942 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csc(-n3ncc4ccccc43)n1)CCO2 1833610348 BUNDOUDVLWNSOV-QHCPKHFHSA-N 495.517 0.640 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C(C)=O)[nH]n2)CCO3)c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c3cncnc3)CC2)CC1 1834841627 BZAZOOVJMSSIGL-WAYWQWQTSA-N 454.575 0.839 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1 1835410584 HAQZNGQVHAVYAX-QHCPKHFHSA-N 456.499 0.259 30 20 JCED COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835673941 BWSOMVVUFDDPEM-XMMPIXPASA-N 458.559 0.976 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3COc4ccccc4O3)C2)C1 1835675312 MZIFEPYQCSDFDV-UQBPGWFLSA-N 486.569 0.955 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1835677246 CRMAJHIWNUSQNV-JOCHJYFZSA-N 459.503 0.162 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682391 FZIWZBAGGCRQGD-HRAATJIYSA-N 454.524 0.286 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1835708509 HHLHJHKOJKKGGS-QGZVFWFLSA-N 465.595 0.775 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1835765274 GJLYUBJQCZOPJI-CPOKCXMASA-N 465.551 0.539 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1836124681 XDLDBQLNYAOIPG-HSZRJFAPSA-N 485.585 0.903 30 20 JCED CN(CC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)C(=O)c1ccccc1 1836810828 CMBYXFGPFOSYFR-UHFFFAOYSA-N 455.511 0.845 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837444159 QIGCMQAFNJVURC-XKKIOBBBSA-N 459.551 0.205 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489537 MBVMJOUMAGGMIC-WMZHIEFXSA-N 476.599 0.168 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1837559743 GATJSDJDAIKMDP-LNXCJSAVSA-N 499.524 0.161 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838649315 FEDNSPOJWCPHCE-GOSISDBHSA-N 481.546 0.349 30 20 JCED Cc1c(Br)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)nn1C 1838770578 NZKDSSVDYQMRMN-SJKOYZFVSA-N 461.382 0.879 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826996 LFVMSHXCSFZQEK-QFIPXVFZSA-N 460.487 0.692 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839100830 XYGQFPIXTRSDHL-REWPJTCUSA-N 452.596 0.062 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1839173369 LXFGEUXGOYJXFM-CVDCTZTESA-N 467.563 0.503 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnn4)C3)C2)cc1 1839364305 XUABFDLYMQBRLH-HSZRJFAPSA-N 451.483 0.692 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1839454070 RRNQQVVWALEOCO-FQEVSTJZSA-N 468.432 0.615 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cc5ccc(C#N)cc5)C4)C3)cc2C1 1839620364 CZLSZYMQEMWUDH-AREMUKBSSA-N 492.580 0.903 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)[S@](=O)c1ccccc1 1839672759 UATZTDPAVOZMTO-WRXAPEBQSA-N 490.626 0.921 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840037540 FQINHWIQQLVSHS-CNVLFFCLSA-N 497.548 0.862 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(Br)ccc4n3)C2)C1 1840042441 VXFFGACRBZFSAP-FQEVSTJZSA-N 491.298 0.255 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1840055491 WFHWDZHUJUJWLZ-SBUREZEXSA-N 481.546 0.313 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1840088843 DNMCYTKFGWRTHR-HXOBKFHXSA-N 483.562 0.865 30 20 JCED C[C@@H](CN)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110933 MFFMQONYZQNQJI-WJONJSRFSA-N 488.651 0.639 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1840160001 UHXQAQRJNHMGBX-YWZLYKJASA-N 456.586 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C)n3)C2)C1 1840906375 AEGDEDXLJFPLRA-UUOWRZLLSA-N 489.573 0.715 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(C)=O)C1 1842612205 BVXNCXXAUKZBDL-HNNXBMFYSA-N 452.508 0.584 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)C[C@H](NC)C(=O)O)C2)N(C(=O)OC(C)(C)C)C1 1842954879 SSLRIKRIVRZYHZ-HOTGVXAUSA-N 450.536 0.818 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CSC(=N)N)C2 1844215454 IBNRTZLDRCGCAA-CQSZACIVSA-N 498.606 0.622 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844297136 USZULYNSQOUDOV-UYAOXDASSA-N 478.590 0.537 30 20 JCED O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300075 KJTPZUOTMOJJCD-MTRWVZMLSA-N 451.505 0.184 30 20 JCED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844302954 XWZBDEFYCZZBKF-VQYZLWMVSA-N 471.551 0.415 30 20 JCED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2)NC(=O)OC(C)(C)C 1846934119 NCNGKDHCUYFDEL-GJZGRUSLSA-N 463.535 0.647 30 20 JCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2)NC(=O)OC(C)(C)C 1846934162 NCNGKDHCUYFDEL-CABCVRRESA-N 463.535 0.647 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CC 1847493201 QJHZEPNJXKFUCA-QZWWFDLISA-N 468.551 0.765 30 20 JCED C=CCN1C(=O)c2ccc(C(=O)N(CCOC)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)cc2C1=O 14721434 BTBMFKRYZWATPA-UHFFFAOYSA-N 469.498 0.850 30 20 JCED CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)S(=O)(=O)c1ccc(C#N)cc1 24354810 JLURRTFZFXDXPW-UHFFFAOYSA-N 478.552 0.838 30 20 JCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 486102703 KNZHPSHHVKYEII-UHFFFAOYSA-N 469.566 0.657 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 522537847 QNUQSWVXVDUMCW-UHFFFAOYSA-N 478.505 0.951 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(=O)N(C)C)c1=O 604269867 GUTOPVKUJXIDMQ-UHFFFAOYSA-N 454.552 0.568 30 20 JCED C[C@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577336 OIGDNZVFICUUHO-MGPUTAFESA-N 490.589 0.929 30 20 JCED COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 822121597 IVJPPPVJTMANDX-CYBMUJFWSA-N 459.480 0.760 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)cc1 858005623 SRMOECGKLGDISL-WBVHZDCISA-N 470.569 0.569 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)c1 914426297 CSJDHSGZSQWBCW-RDJZCZTQSA-N 458.558 0.636 30 20 JCED N#Cc1ccc(NCCNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 914859229 JGJZSLPBIDAQFR-UHFFFAOYSA-N 470.555 0.795 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1 916692954 JZSCYQITPSFAEI-LVZFUZTISA-N 457.578 0.999 30 20 JCED N#C[C@H](C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917012579 AGPCRMJYAAUSDY-JUYJLUJKSA-N 477.477 0.759 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 918422993 FOMAWHQEYAEECW-ACNSNUFOSA-N 499.615 0.226 30 20 JCED CCN(CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)S(C)(=O)=O 918465859 UHRGYILLGZOZIH-OQKWZONESA-N 487.604 0.226 30 20 JCED CC(C)CN1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1287741645 IVYAIMWUOLOWBL-UFYCRDLUSA-N 495.650 0.708 30 20 JCED COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1290806984 VVGZLSBRVJIJBO-GOSISDBHSA-N 459.890 0.923 30 20 JCED CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1314639181 QOPVDRHCSLRXAP-UHFFFAOYSA-N 451.531 0.980 30 20 JCED CN(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1314660645 XHBHZWWLHGXSDX-CRAIPNDOSA-N 455.560 0.537 30 20 JCED Cn1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)n1 1314906238 FXZKZQTYSPKOAW-KRWDZBQOSA-N 462.580 0.717 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CC1 1502425017 XFTHAHDXKGNCAQ-UHFFFAOYSA-N 452.563 0.990 30 20 JCED CS(=O)(=O)N=S1(=O)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1569602626 JRSDRYZLHBJWPG-ZDUSSCGKSA-N 458.949 0.834 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(C)(=O)=O 1617908224 NSYDWMYJJVCMDE-INIZCTEOSA-N 452.562 0.237 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1618310102 UUGWOPNINLJFRE-HNNXBMFYSA-N 452.562 0.237 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCOCC2)CC1 1620176945 NKLLVTGHMBKVPJ-UHFFFAOYSA-N 473.603 0.915 30 20 JCED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1629766282 SFLGILJPFKKJPR-MRXNPFEDSA-N 456.542 0.440 30 20 JCED CO[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1697121995 YOUXIHPAEXXWDK-FXAWDEMLSA-N 489.602 0.844 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)N1CCCCC1 1706888234 ZSYBWQKHRRNSKI-FUHWJXTLSA-N 478.623 0.467 30 20 JCED CN(C)C(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1710971702 PHOSTFKVPJQBOW-CVEARBPZSA-N 450.565 0.558 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)c1 1712687080 OJCHYZCMHVWELJ-OALUTQOASA-N 474.587 0.924 30 20 JCED C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722483204 ODHNNTILRBDQIV-CQSZACIVSA-N 495.382 0.895 30 20 JCED CC(=O)N1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CC1 1741058989 WNOPEZVWKVPHAN-LJQANCHMSA-N 463.608 0.474 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1771369011 JGTYIVYADKXRHS-LJQANCHMSA-N 489.602 0.436 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ncn3c2CNS(=O)(=O)c2ccccc2-3)C1 1779987746 PGCSNODMLBTSCG-AUSIDOKSSA-N 483.550 0.425 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)[C@@H](O)C1 1781111999 QZXYGMYGUYOZKZ-WCJKSRRJSA-N 450.536 0.594 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781354854 JKTSGBVSOGFRQX-SBUREZEXSA-N 483.562 0.601 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)C2)C1 1781387589 VOOPJXWHUKFSMM-VAXXYWNWSA-N 476.574 0.601 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195313 YBGHMYHCWDNZQM-MHECFPHRSA-N 498.540 0.764 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783440839 UNWUVLIVDWNDFS-OSPHWJPCSA-N 475.542 0.942 30 20 JCED COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1783666327 JLDBRSXCSUQYCQ-XMMPIXPASA-N 485.541 0.948 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784534826 QKEGXZUSNZOTBL-YAHNNNEBSA-N 464.588 0.927 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21 1784786224 RZWSPGVPBDFTIA-TXTZMMAHSA-N 482.578 0.498 30 20 JCED COCc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1787721914 PLINWFDBAUVNLB-GWFCEMRTSA-N 450.492 0.943 30 20 JCED Cc1nc(Br)sc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787770719 SJVLMMZEKIEJEC-SRVKXCTJSA-N 456.318 0.895 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1788573750 JPYWDHGNXBAUEN-RABCQHRBSA-N 495.617 0.767 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1790788882 JJGWZKPFTKQNOH-IJAJJQNTSA-N 455.577 0.261 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1)[C@H]1SC(=N)NC1=O 1792424811 VZMWYEKIPVAZLY-XRPQVBHESA-N 469.567 0.883 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1[N+](=O)[O-])C2 1792491113 ZVUDTAKWJQALSM-HJZKZARXSA-N 472.498 0.594 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1792563904 DVFGZHVLPZIAPC-AXBMQTGBSA-N 476.574 0.853 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258899 USHOBZPFAVPJPI-MPKABRHRSA-N 481.615 0.651 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(Cc1ccco1)C(=O)OCC)C2 1793346867 RDVUUPUYTTXUHY-DCXXXQMHSA-N 461.515 0.866 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccc(N2CCOCC2)cn1 1794441994 GKUUKEFVLMBPBB-IRJINJETSA-N 482.581 0.820 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)cc1 1795415890 IUVNSJXKZVAUHQ-HYWLUUGDSA-N 473.551 0.934 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)c2C1 1797315394 AFZRAURDWLMJNP-XOIINTDNSA-N 459.507 0.146 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2 1797712343 CYYPBKSOFILHIV-FLXSYLCISA-N 483.606 0.813 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798566691 WRDIRROCMOSSGN-WTLGNFPFSA-N 450.557 0.993 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800395869 WEQROALIYPLPEV-QZPIAUJRSA-N 497.614 0.623 30 20 JCED COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1800849476 BDOXEYYASOSTEF-BRTYFSMRSA-N 474.554 0.324 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(Cc1ccco1)C(=O)OCC 1801234034 MVIHADOVACBEGD-NOOKGOPLSA-N 488.541 0.686 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1801886605 XAVZKILAGFEXSA-XMTFNYHQSA-N 475.542 0.986 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C 1802138414 BDHKOEOEIYKICJ-LONPVHGMSA-N 488.585 0.904 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCCNC3=O)[C@@H]1c1cccnc1 1802480106 ANKHGHRZXIIFOM-AWWPTUBISA-N 491.552 0.590 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCS(C)(=O)=O)C2 1804376675 PVGROXQFSPZTGJ-YYIAUSFCSA-N 455.577 0.976 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812390710 AKVZEBLADAKTND-CEMARSOISA-N 458.519 0.102 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c(O)n1 1812714423 VKCZVOVQPXSDHF-HYBUGGRVSA-N 497.596 0.907 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CS(=O)(=O)N2CCCC2)n[nH]1 1818107336 LNHQQNYPEKPGDB-WBVHZDCISA-N 451.549 0.866 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1819899834 AZPMPTKUETUTRM-YSYJJVIUSA-N 464.504 0.136 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)C1 1820798265 QSRUCEGVOHSUSS-BMFZPTHFSA-N 475.502 0.718 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(=O)C(F)(F)F)n[nH]1 1822438762 NHITXGXAKYBBDK-FWWRYZNZSA-N 456.425 0.939 30 20 JCED N#CCCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824810094 ZZJGUIDHXGQULW-FPMFFAJLSA-N 476.584 0.539 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCN2C(=O)OCc1ccccc1 1828632267 IGJXUHRMQJTXMS-HSZRJFAPSA-N 480.481 0.877 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C3)C2)C1 1829670529 APZUCTIAYKBMIL-FDDCHVKYSA-N 467.563 0.685 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829904347 PJRZEGYBCGAEDH-QFIPXVFZSA-N 459.572 0.041 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3c[nH]c(C)c3C(=O)OCC)CCO2)C1 1830941014 HSQBGKCWWSRXGB-UQBPGWFLSA-N 489.569 0.927 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c(Cl)c1 1831019750 BPQVLUCSSDUEQQ-OAQYLSRUSA-N 462.890 0.734 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C(C)(C)C 1831093659 MZSBSZRPYXJKLY-RDGATRHJSA-N 486.569 0.944 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831188765 VMBJEQLWNNAROT-WNSKOXEYSA-N 468.514 0.419 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831328631 FBYYYXKYNLVKTH-HTAPYJJXSA-N 478.571 0.150 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1831387804 KYRIQSIQQGBHEO-JKSBSHDWSA-N 453.536 0.394 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1)c1ccccc1 1831570818 LUUSVYLVJXBSKP-JXALWOEJSA-N 455.511 0.748 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831999832 DHUMYCALMDETJY-AOMKIAJQSA-N 465.503 0.000 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1832462158 CGWPSPMPFUYFEJ-QFIPXVFZSA-N 490.619 0.058 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)c1 1832878207 YWFKFVARWZIWFB-QFIPXVFZSA-N 454.487 0.105 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1833073856 LAZBZDOWBQZACP-SREVYHEPSA-N 457.531 0.129 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)c(O)n1 1835250926 FQBWWNUCSDZLCJ-OAQYLSRUSA-N 467.544 0.020 30 20 JCED CN(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1835383278 MNULZHHCZUIKHR-HXUWFJFHSA-N 469.464 0.994 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@@]3(C1)CN(C(=O)C(C)(C)NCCC#N)CCO3)CCC2 1835682635 OIKGJEBIFQLZKP-HSZRJFAPSA-N 458.563 0.261 30 20 JCED CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835781737 MACIZMVNYLLOLW-OEAKJJBVSA-N 462.620 0.754 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836130445 LVQWWEPYPJATTR-XMMPIXPASA-N 482.493 0.416 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836213257 AXQFEYWVZYIMLF-MQNAVGNWSA-N 490.561 0.204 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCc3[nH]cnc3C)CCO2)C1 1837328219 QKBGXIHRVDQOMS-LAUBAEHRSA-N 452.577 0.999 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1837403181 ILDXEVGQVFJJSF-PDOGEWKWSA-N 474.558 0.229 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1837491394 ZGBBSMJGDFKKEU-QFIPXVFZSA-N 462.934 0.899 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1837495707 AAGKVHPJANTAPY-NZQKXSOJSA-N 466.531 0.706 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529045 OXZPINJCBLPAGI-DQQVDPDQSA-N 459.565 0.131 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)n[nH]1 1837588897 GZXGGLVUNJYCRO-QHCPKHFHSA-N 455.490 0.971 30 20 JCED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c(O)n1 1838671303 GEPPTKURIKDGJZ-XMMPIXPASA-N 457.527 0.864 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)N1CCN(C)CC1 1839187731 SNMDMABGYVEGED-KBMIEXCESA-N 487.576 0.332 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1839225296 DZTUGIHIJYALQX-HTAPYJJXSA-N 473.534 0.612 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CSC(=N)N)C4)C3)c2c1 1839487857 IYMPUDKLZAGLJS-HXUWFJFHSA-N 457.516 0.131 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839560609 AKUUFBNPJHCGEQ-IWXLIXGASA-N 471.514 0.933 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839666624 COXDYWQAFDUFGV-KDLAUNOPSA-N 474.558 0.229 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2)C(F)(F)F 1839668040 WMFGMHFKYIOQRI-YWZLYKJASA-N 470.448 0.775 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)CCO2 1839801150 WUCFNBXSHBHBAA-FQEVSTJZSA-N 472.391 0.931 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]4CCCO[C@@H]34)C2)C1 1839811723 LVCZASJGDNDUJV-NTWACIBNSA-N 491.585 0.738 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)CO2)C1 1840009095 WYDKWUZXPMGXQE-HXOBKFHXSA-N 478.546 0.382 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840018976 XGZYPVAQXYBAIW-GAZXMLTASA-N 491.541 0.178 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(-c4ccccc4)n3)C2)C1 1840042736 METPMUHFZVFAPZ-QFIPXVFZSA-N 455.492 0.968 30 20 JCED COC1(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)CN(C(=O)OC(C)(C)C)C1 1840161368 MJYVROKEAHVRHL-OPAMFIHVSA-N 487.619 0.787 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840166642 VJSKENLVNAVZPU-DVECYGJZSA-N 479.574 0.882 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1840175815 GVKSXAMOFBPFFM-OKPAFVPDSA-N 479.574 0.778 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1)c1ccc(O)cc1 1840222106 DNLTYFHMPQNPOC-DVECYGJZSA-N 473.526 0.702 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c1 1840550149 FZNRBKIYLYGRDR-OAQYLSRUSA-N 465.528 0.072 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840782965 RTVDAZGLHAAYPG-HSZRJFAPSA-N 462.522 0.670 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O)CCO2 1840858041 YFZVQQJESVUFCJ-QPPBQGQZSA-N 459.518 0.743 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1840906851 KQHABHQFRJBPFU-MWTRTKDXSA-N 493.536 0.844 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1840907468 VZERHDIZMCKNNN-YADARESESA-N 489.573 0.715 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1840907476 WNGLXVJHQITQGA-XLNZFTOWSA-N 479.574 0.929 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1844384438 OXQLEHPAOAESLP-OAHLLOKOSA-N 453.421 0.940 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1847068761 FSKPHMJVJQBSOP-JKSUJKDBSA-N 455.577 0.787 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=N/O[C@H]2CCCCO2)c1 1848326769 WUNOWUMNZBZDSA-POZYIAIMSA-N 450.517 0.830 30 20 JCED CC(C)CN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 15329014 WOBDRKNKLSYORR-UHFFFAOYSA-N 490.586 0.956 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 502915456 DPQPALJVGJNTEH-UHFFFAOYSA-N 451.531 0.659 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H](C)c1cccs1 522625317 YCXPFHFQUYPQGP-CQSZACIVSA-N 457.581 0.970 30 20 JCED COC(=O)COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 604022712 UHNOKZSBVHECBR-UHFFFAOYSA-N 479.536 0.805 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608829048 YWFQOLPLELHNKJ-UHFFFAOYSA-N 488.978 0.508 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O 608911014 DCISLAJRKXIZMS-UHFFFAOYSA-N 466.441 0.118 30 20 JCED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCNc3ncccc3C#N)c2)CC1 728405640 UEZMTXMTEAWQJM-UHFFFAOYSA-N 485.570 0.446 30 20 JCED CCS(=O)(=O)N1CCC[C@@H](C(=O)OCCc2c(C(=O)OC)[nH]n(-c3ccc(C#N)cc3)c2=O)C1 729088357 DCXPGQONDIJORN-MRXNPFEDSA-N 490.538 0.971 30 20 JCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729885515 YSYGDDDSUAMBHQ-UHFFFAOYSA-N 487.318 0.936 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)o1 915376058 HINIBDQGYYJKMR-MRXNPFEDSA-N 495.492 0.871 30 20 JCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 1185396388 JFYRNQVHSJIIPH-LBPRGKRZSA-N 450.336 0.245 30 20 JCED Cc1nn(C)c(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)CC2)c1C#N 1211535989 JBYQUWZPZDWHPW-UHFFFAOYSA-N 452.562 0.031 30 20 JCED CCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1295928128 PFJVMTFJFYCJIS-MAUKXSAKSA-N 452.516 0.318 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 1298017215 JBLBMXCPRKVBOP-IBGZPJMESA-N 453.547 0.975 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CCO1 1299155094 NBGXLBBRCWMXJT-YLJYHZDGSA-N 469.546 0.401 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOC1=O 1314705604 MFUYRIPAXSIGNZ-UHFFFAOYSA-N 483.529 0.866 30 20 JCED CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1315003472 SIPAFWNUCRMDMY-UHFFFAOYSA-N 487.586 0.727 30 20 JCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)c1C#N 1463529575 SVQUPURKGSEALW-UHFFFAOYSA-N 456.525 0.622 30 20 JCED CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 1502315935 WUCUTJZPCSDCJI-DENIHFKCSA-N 496.616 0.706 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCSCC2)C1 1505141824 XJBLRMDMSYDYBJ-QAPCUYQASA-N 473.600 0.102 30 20 JCED C[C@@H](CC(=O)N1CCC(O)(CN2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1597312311 MEBXNPZLUZEXRY-INIZCTEOSA-N 450.561 0.189 30 20 JCED CC[C@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1613424835 ZZGSIWUAJNQYQI-YQQAZPJKSA-N 466.612 0.370 30 20 JCED CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1617395764 NYJMNFZQEBKGTP-KRWDZBQOSA-N 466.589 0.628 30 20 JCED CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1620159823 YBOICTCDNZRVFK-SFHVURJKSA-N 494.599 0.388 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)C1 1698309559 PQSGPJFXDSBCCS-INIZCTEOSA-N 457.560 0.800 30 20 JCED CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)N1CCOCC1 1710740449 LVMKNWWHOLLYJY-UHFFFAOYSA-N 453.547 0.867 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)C1 1722765572 QJSXFLLTMMBBHL-CNNODRBYSA-N 493.634 1.000 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)C(C)C 1750966878 XRFFQUZOIFDHEJ-UHFFFAOYSA-N 453.551 0.782 30 20 JCED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1761261516 JHBJFADVYXPPIR-UHFFFAOYSA-N 496.572 0.828 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c(O)n1 1778379938 KOBJOQNATGBIJG-RUZDIDTESA-N 494.552 0.993 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1778898550 HZSJTRLCKOHIOT-WQGPNXGSSA-N 450.495 0.710 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1780738574 PBLKHBXZUKKDGM-YCRNBWNJSA-N 482.530 0.505 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781202139 UBULXHZYFPTPAO-KBVBPZEESA-N 498.577 0.887 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781354544 WMOMWYDEJMYWTR-FZHMTJSVSA-N 498.577 0.621 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(Br)c1 1783557596 IOQXSPANNPULHR-HXUWFJFHSA-N 465.300 0.918 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1784478287 YWGBYBNLPFLZKT-SPOLIRPYSA-N 467.563 0.280 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cc(C)c(O)nc4=O)C3)C2)c1 1785353853 PIOHVCVCYJOOLS-HSZRJFAPSA-N 451.483 0.581 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(C)=O)[nH]n3)CCO2)C1 1785572508 LYPNDFXOTVNKCM-WAIKUNEKSA-N 473.530 0.972 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC)[C@H]2C1 1786973787 PLIMTCSGMNASJL-QTMHVTGLSA-N 450.580 0.881 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789763139 XPIINHOLULQACR-OROIIQQLSA-N 480.606 0.548 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOC)C[C@@H]21 1789891546 BWBOGDHJWMJSPH-UFYCRDLUSA-N 470.563 0.545 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](N)Cc5cccnc5)C[C@@H]43)c2c1 1790327059 MRCQQYMPMCUDHC-UTYWTXRGSA-N 473.537 0.993 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791266421 XGTVFCUBCZVFCN-OLMNGRFOSA-N 473.592 0.741 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21 1792268011 RGILVJHCXQJRHS-GMOHSKTFSA-N 494.589 0.498 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccco1 1792519676 DGELUECZOWRKFA-MGGVOPSTSA-N 461.515 0.819 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1792567499 PEURNZGVESEDHL-BEWOVKMTSA-N 476.574 0.711 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C 1793002808 GSCDHYMUGIGVNY-USYVTKNRSA-N 462.591 0.977 30 20 JCED Cc1cccc(C)c1N1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1=O 1793872677 UOENXMGKEYOVKZ-AYMMHLMVSA-N 453.495 0.334 30 20 JCED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)c(C#N)c1 1794090522 YTRLGKIMVKUASW-ACDBMABISA-N 474.583 0.478 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)c1ccc(C)cc1 1795323529 HVZHKINYKSLPFU-OPMZPASUSA-N 478.567 0.868 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)OC(C)(C)C 1795338744 OEUNZWBFPMERFC-HGKCTWBKSA-N 453.536 0.952 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795392219 NIXIVKYZLUEBJF-FZQIVQGWSA-N 462.547 0.324 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795584655 RQAWRIMQDWFGNA-YYQAZUDOSA-N 497.593 0.347 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795641323 MJVGXIJIUGMOQS-RIUYPTKQSA-N 468.551 0.108 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)nc1 1797808696 NHFALFYXUJEZCO-UHXXWTPBSA-N 480.543 0.217 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)n1 1797909711 DMQDWWJLPPMPNB-SFKKXUDOSA-N 475.546 0.405 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C3)c(C#N)c1 1799237527 QHTRLSFMBSJYSI-KQFONWOYSA-N 485.566 0.501 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1799392892 NNXLEFMCCOROCP-LJCCNALRSA-N 461.515 0.840 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801069579 MDLMSIUNHYMBLM-JNIAIEOXSA-N 478.590 0.962 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1802025247 VJMLLMUOCBLIQE-ZMMAXQRCSA-N 479.578 0.331 30 20 JCED O=C(NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807943524 WUDDYELLEKAUFI-GCJKJVERSA-N 468.477 0.579 30 20 JCED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1820970083 WERARUDETURKHE-SMDDNHRTSA-N 456.467 0.643 30 20 JCED N#CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824807724 AYILXTOOWRTJEL-WCFLWFBJSA-N 462.557 0.149 30 20 JCED C[C@@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CC2 1826028441 XTWTYWVRMBLDCD-VCDKRKBESA-N 483.641 0.554 30 20 JCED C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828576242 WWSVYDLTIPRLMG-UQBPGWFLSA-N 466.538 0.986 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cocn1)CCN2C(=O)OCc1ccccc1 1828754172 ACFLDKPCCXEWIO-QHCPKHFHSA-N 466.450 0.828 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCN2C(=O)OCc1ccccc1 1828969346 AHKLVLLGKRYNCO-YADARESESA-N 471.558 0.607 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=O)c1cc(C)on1)CCN2C(=O)OCc1ccccc1 1829134044 WJPNLRPVCZTIBQ-VWLOTQADSA-N 493.520 0.798 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829244269 SQKZBGCPXMPGDQ-MQLALCELSA-N 496.520 0.566 30 20 JCED CC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1829300846 MPTYBXCKBVOKLX-VWLOTQADSA-N 466.538 0.988 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1830300820 REROUILWWHESED-BFBBILTRSA-N 498.577 0.885 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1830756673 JSQBPBOKZNAEQC-OIWGFISTSA-N 452.552 0.456 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831142983 JIOFIKZLBGIYMK-YADARESESA-N 457.527 0.253 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1831397451 YOIDYOVEVRGDOR-DYESRHJHSA-N 450.561 0.446 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1831493755 VGLAQGKPXHMBNT-XXBNENTESA-N 480.583 0.860 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1833074945 HPHDILFFGXPNQZ-ARJAWSKDSA-N 459.507 0.362 30 20 JCED COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1833767428 YZCSDFUCUXUQAO-PTJKWTKHSA-N 462.503 0.689 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 1833769573 CXJZZBZRMRGDSH-GOSISDBHSA-N 455.559 0.421 30 20 JCED N#Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)CNCP(=O)(O)O)CC3)CC2)cc1 1834663866 QMYJAQGWAXMYQQ-UHFFFAOYSA-N 491.529 0.787 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(=O)(=O)c3ccc(C)cc3)CCO2)C1 1835183732 DGOODOHAJSDNDI-AUSIDOKSSA-N 478.567 0.263 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835358667 HTGKJSTUMGJEDI-SBUREZEXSA-N 496.561 0.593 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c1Cl 1835514761 WDNOUDDREHRSKR-IBGZPJMESA-N 451.936 0.908 30 20 JCED CCOC(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)OCC 1835682463 KUGIGDBKZMVVHE-JOCHJYFZSA-N 454.568 0.514 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1836213320 FZXKJFLCRXRSRB-QQMNAOGKSA-N 480.562 0.363 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836350341 BBFOZIZKIOBRLQ-KSFYIVLOSA-N 478.550 0.734 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)cc2C1 1836774582 BGTIHUMCQSNWFV-QHCPKHFHSA-N 488.545 0.617 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836992165 BUOQGJTXQMSFLM-LJQANCHMSA-N 493.557 0.709 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1837486631 LDLWXSCHGAJPKT-VWLOTQADSA-N 475.586 0.544 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cs1 1837524583 JVLOPBSEZMBDAM-SVZRPLMQSA-N 466.560 0.979 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1837531032 WHZPSWQUNPAQND-CZYGPWSVSA-N 498.540 0.866 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837547761 KHLLLJCVDYMLOF-MBSDFSHPSA-N 460.531 0.938 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838165868 ZHYLFJMJLGHCIR-PXYXSCDOSA-N 451.474 0.902 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838681441 ZUWJYRLNRBDHHN-HKWRFOASSA-N 457.483 0.843 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742004 LVHQCZZINFOQGV-QRQCRPRQSA-N 461.519 0.870 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839210327 LXNIXAWRLFFPKS-GAJHUEQPSA-N 480.562 0.412 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(I)c(O)cc1O)CCO2 1839469855 KUFCCZUMPSGLSJ-SFHVURJKSA-N 486.262 0.406 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840167554 YGDPMSQLPDDLGW-AXHZCLLHSA-N 479.574 0.617 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2)c1ccc(O)cc1 1840264446 ZWXKNULNRFFIIT-FQRUVTKNSA-N 495.532 0.271 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1840291337 NLQYDPKYIMYXGG-UVWWXKGLSA-N 485.581 0.816 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1840445443 VKRPWJPVTYADQG-YDIMBITNSA-N 489.573 0.817 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cnccn1)CCO2 1840486636 OINKDFDNHYNTSQ-XQBFAVHXSA-N 459.503 0.475 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1)NC(=O)OC(C)(C)C 1840795542 NVQXDBPXRKLZNN-CYFREDJKSA-N 499.605 0.965 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819765 DMTHPZZRJKQAKW-HOYKHHGWSA-N 480.525 0.684 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840885144 OGWXFSBCKJPKPI-DEOSSOPVSA-N 464.559 0.731 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1)C(C)C 1841542429 RQCWVEVWZBGBEK-ICSRJNTNSA-N 458.559 0.975 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1847069405 MBDPOAVNXNRBFW-IRXDYDNUSA-N 494.589 0.992 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 60131350 IXNWPJAQVJJODL-UHFFFAOYSA-N 468.513 0.767 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 409854126 RPIRBIPFURKHGR-UHFFFAOYSA-N 468.557 0.902 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1 515622273 LIPASOVXDOTCOV-UHFFFAOYSA-N 468.579 0.595 30 20 JCED CCN(CC#N)C(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 520109080 KTJDSIAGGOCUQV-UHFFFAOYSA-N 470.573 0.760 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 523352109 IEYHBTGASUMSKK-UHFFFAOYSA-N 496.593 0.923 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)s2)c(=O)n1CC(N)=O 524282963 WBAZEXJRWITMRO-UHFFFAOYSA-N 482.587 0.779 30 20 JCED CS(=O)(=O)N1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 603461998 TUQDFYLTXLHWIO-UHFFFAOYSA-N 454.574 0.453 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(OC)nc1 608884238 BTAHKTQQUVXVRJ-UHFFFAOYSA-N 495.517 0.867 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccc(C)cc3)s2)c(=O)n1CC(N)=O 608910790 NRIVPJCYJOIVCQ-UHFFFAOYSA-N 482.587 0.698 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC(F)F)c(C)c2)c(=O)n1CC(N)=O 608912572 VIGLCMZQKARPFA-UHFFFAOYSA-N 462.478 0.419 30 20 JCED N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)CC1 609340336 PNNXLAZOIPUJRK-UHFFFAOYSA-N 496.977 0.675 30 20 JCED C[C@@H](c1cccs1)n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 726584036 NLABXGCGTXHVPS-AWEZNQCLSA-N 455.565 0.676 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)c1C 731204253 CDJWDOFGJCGIGA-UHFFFAOYSA-N 461.609 0.847 30 20 JCED C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 769773583 GXHUFBOOMSXYIK-NRFANRHFSA-N 455.496 0.811 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3Cl)c(=O)n2CCOC)CC1 797641349 SRYVYWVTJIEMDC-UHFFFAOYSA-N 491.013 0.885 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(-c3cc(C)on3)c2C)c(=O)n1CCOC 838277121 JIWRZMMYUVHVGO-UHFFFAOYSA-N 485.566 0.526 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1COc2ccccc2O1 913300611 PNRWELJPMRKTIR-HOCLYGCPSA-N 459.480 0.724 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914652859 NDKGSMBGUUUMGY-GVDBMIGSSA-N 477.539 0.909 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2sccc2-n2cnnn2)CC1 915395867 NYKHVUVSUVPMCJ-UHFFFAOYSA-N 487.523 0.285 30 20 JCED Cc1nc(SCC(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C#N)c(C)c1C 916538094 YNWVASBVWBWRFX-CYBMUJFWSA-N 454.530 0.527 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCNc3ncccc3C#N)c2)CC1 917154666 PKQKPGNPYHEWJF-UHFFFAOYSA-N 456.528 0.648 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)cc1 918269430 JLWGADFMGOMBQK-XWFHWFJUSA-N 474.539 0.994 30 20 JCED CN(C[C@H](O)CN1CCOCC1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1137220851 WSOGBPNFFRNIOC-IBGZPJMESA-N 450.561 0.110 30 20 JCED CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1297688110 IJRHXQHINYWCOY-UHFFFAOYSA-N 472.575 0.542 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1302496484 NSYGWCZRBFWMML-INIZCTEOSA-N 452.562 0.379 30 20 JCED COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1517722808 ZQNGPPNABWYBMW-UHFFFAOYSA-N 463.445 0.998 30 20 JCED CC(C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1760820853 VXBXWOAHXOCXKB-RTBURBONSA-N 490.586 0.831 30 20 JCED COCCN1C[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CC1=O 1769877309 JNJUDBLFSKRXIL-RDJZCZTQSA-N 467.596 0.513 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778053124 JVYBPSRCLIRDIW-QFIPXVFZSA-N 468.539 0.934 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)CC1 1778357287 UVMHCESXKRONPB-HSZRJFAPSA-N 457.506 0.305 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)C1=O 1778710762 LPTQZXOUDPBDOR-KWXIKYAXSA-N 470.482 0.794 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1778967537 LLVMIXYCWYBIJE-LAUBAEHRSA-N 451.545 0.502 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779074384 QBLPSKBDGWYQFQ-CVDCTZTESA-N 464.515 0.010 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060466 AKBLQMUMTYUEST-PIVQEWKSSA-N 470.486 0.062 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1782128138 XTWMQCDVGJAFLX-FUMRIQNTSA-N 456.499 0.653 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2F)[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783544859 DEXYZIZAKISGIE-XIGBFTOMSA-N 479.505 0.640 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783676858 HOSLUNSHPIUNJE-FJIDUMEYSA-N 479.578 0.154 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785329039 ZBPQZYRCUIVDQP-SARNLOFESA-N 458.515 0.011 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(I)cnn1C)CCO2 1785422537 KBWPMJHOESSRQQ-QGZVFWFLSA-N 456.284 0.882 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1785518119 UULYXCIZDBZGIF-ARGWCVDVSA-N 459.565 0.591 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1785573198 SPABFJYBJDNISX-CMJOXMDJSA-N 487.513 0.535 30 20 JCED CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1 1787198619 SIGIVBFJROKYJI-CQDKDKBSSA-N 453.421 0.701 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1788595145 UCJSRMAFTABHBV-FHWLQOOXSA-N 459.619 0.942 30 20 JCED N[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)c1cccnc1 1788658620 RSOREIHCEYJOSX-RBIWNUOPSA-N 459.547 0.980 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1788660783 LQZDSNNFKAYCET-FGEIPSIWSA-N 450.536 0.508 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]32)c1 1789259369 OEMIQVDDYQRCCM-JQFCIGGWSA-N 468.432 0.839 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(C#N)cc4)[C@H]3C2)CC1 1789572123 JSTCSFAHSHFRMH-FKBYEOEOSA-N 453.543 0.316 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(N5CCN(C)CC5)CC4)[C@H]3C2)c(C#N)c1 1789807195 XSYJZHSXJAPILO-OYDLWJJNSA-N 495.624 0.869 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cccc([N+](=O)[O-])c4=O)[C@H]3C2)c1 1790654828 FATJMUSVZHUTCY-MPGHIAIKSA-N 454.443 0.250 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1792454062 ZXXYQVYHERNOHK-NYXISSTPSA-N 457.593 0.512 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2 1793347867 LICNKCHZQMPNBJ-OGJJZOIMSA-N 481.546 0.071 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ncn1 1793493627 JDAIXHURKJKTFF-KRXQYRFLSA-N 459.503 0.302 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)c1ccc(C)cc1 1795322343 AQNSOVREPFYJTP-NZGUISNBSA-N 464.584 0.931 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1797119932 KFTINNBNHILLMQ-BOQPXBONSA-N 481.590 0.785 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2 1799332024 JKJSGAVKYHBGFU-IYWMVGAKSA-N 482.541 0.889 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800210117 QZRNXRFZQNLZMA-MFKICJERSA-N 453.455 0.101 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1800709737 HGSSVFWCQJDFBK-VXIBKDFQSA-N 492.573 0.933 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1800741270 TWNLRFAQBWUZBT-QTSPYONBSA-N 461.515 0.311 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1803506259 IHXBKUDUEIPHQK-WZGPROSRSA-N 466.604 0.988 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824900315 IOBGGKLTBFJXPP-FFRRBZOQSA-N 463.535 0.687 30 20 JCED C=CCOCCCC(=O)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828520956 LXVTUFVBAWOAFI-DEOSSOPVSA-N 475.542 0.732 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1829267267 NPFOMKFVKYZRQL-XMMPIXPASA-N 463.494 0.941 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C(F)F)n3)C2)C1 1829768704 FOSBPKJIIOANNM-OLEQZPESSA-N 467.473 0.515 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1829773830 WURRBSPUNBSBMR-OJSZTNNSSA-N 480.562 0.214 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1829783520 OCFSNPYHULDKAJ-XXBNENTESA-N 468.547 0.930 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1829809161 SEQPHGRIYBGRRT-OLACYZMCSA-N 489.573 0.977 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1831183759 SZNFLBIFOOYDPR-SZNDQCEHSA-N 497.474 0.957 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831393622 ZCRXQWZHTZRKDN-CYFREDJKSA-N 472.542 0.027 30 20 JCED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1831853761 AXCVHUYKNNLKNZ-QGZVFWFLSA-N 456.547 0.630 30 20 JCED COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1832767690 VMEZXZQYMRAADI-GOPWYIOASA-N 476.530 0.618 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccc4c(n3)OCCO4)CC2)CC1 1833074812 CWETUIYVNYCAEL-WAYWQWQTSA-N 483.569 0.896 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2)C(F)(F)F 1833401460 PIOXGMPBCOIPDN-GOSISDBHSA-N 477.461 0.674 30 20 JCED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1833506080 OFNIUJCHUPJIER-FFAXYAMNSA-N 463.491 0.084 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C3)C2)c(O)n1 1833699013 RTUJNWVFWJQEBS-OSPHWJPCSA-N 474.558 0.843 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4nnc(C)o4)C3)C2)c(O)n1 1833699149 SSVFFKXIUJQWLM-QHCPKHFHSA-N 471.514 0.910 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)CCO3)C2)C1 1833724006 BYZBKBQXEDLYPO-VWLOTQADSA-N 483.569 0.444 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)NC(=O)OC(C)(C)C 1835364559 ZEQRNQHJKZIWTG-ZHRRBRCNSA-N 482.534 0.203 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835529556 YEJIVBVJBIPDHE-JXQFQVJHSA-N 480.606 0.734 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(cnn4C)c3OCC)CCO2)C1 1836378386 WPARJDQYXZRNKZ-OSPHWJPCSA-N 485.541 0.475 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(NC(C)=O)cc3)CCO2)C1 1836662040 OAOAUURPQQSTAS-UUOWRZLLSA-N 457.527 0.682 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1836859411 ZGSUEWRWVNHFCK-QGZVFWFLSA-N 460.531 0.750 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1837430031 GOVZYOFYTKYSGC-HSZRJFAPSA-N 487.633 0.697 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837490461 FUVHGUQCAQGKBK-RUZDIDTESA-N 486.569 0.694 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c([N+](=O)[O-])cc1O 1838602318 ZUTMAOSAUAGIGZ-JOCHJYFZSA-N 459.455 0.792 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)CCO3)C2)c1 1838605238 UMVBZZKMALOFKM-QHCPKHFHSA-N 493.480 0.262 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c([N+](=O)[O-])c1 1838740902 ZDQPWOFJTJSLQR-QHCPKHFHSA-N 497.464 0.965 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1839174370 XSYJFCPOSGLGEB-NRFANRHFSA-N 466.560 0.745 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1839185147 PBVGYJQINXLRLW-OPAMFIHVSA-N 499.634 0.929 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)cc1 1839361355 DZHPGPALFCTWSO-XMMPIXPASA-N 466.494 0.138 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839436583 BCWPOZNAZTWZBT-YKSBVNFPSA-N 469.542 0.910 30 20 JCED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488105 XHOLRPFYBBHBJF-QHCPKHFHSA-N 468.514 0.277 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839561665 LBISCNSRPCKAIM-QHCPKHFHSA-N 456.499 0.914 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1)c1ccc(O)cc1 1839860610 CUVQCCKDNLSZIN-RDPSFJRHSA-N 457.527 0.482 30 20 JCED Cc1cc(Br)cnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041480 OPDLWRGHJAGPIR-LJQANCHMSA-N 466.288 0.311 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Cl)ccc4c3OCO4)C2)C1 1840042816 PBWDZLZHGIZPQE-HXUWFJFHSA-N 450.831 0.227 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Br)c(O)cc3F)C2)C1 1840043208 KEVINYHBMQHQKZ-IBGZPJMESA-N 485.262 0.452 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cncc(O)c2)CCO3)c(C#N)c1 1840062980 HQFIJHZAYPZENS-DEOSSOPVSA-N 466.494 0.980 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840170939 FEXPARRMOIQSBO-PMAPCBKXSA-N 467.563 0.637 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1840291841 IYNFHNHERXXIKM-QGZVFWFLSA-N 452.401 0.992 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1840795947 LCANBSGVNPMQQN-PMAPCBKXSA-N 482.578 0.437 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1840818744 VSEUUTGNAAJBNV-VWLOTQADSA-N 495.536 0.542 30 20 JCED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)o1 1840818807 YKTJGBZMUYIYKZ-HSZRJFAPSA-N 469.498 0.761 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840820044 VGMQLCJCKBGJMJ-WEHRJKGCSA-N 468.510 0.228 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)C2)C1 1840841516 FBSOVULUTINLFT-XMMPIXPASA-N 467.526 0.363 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1840907214 QGVIPGSUYQSIRE-UZUQRXQVSA-N 473.530 0.463 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840908623 CUXZRZWKTBLJJE-CYFREDJKSA-N 489.573 0.336 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840909348 XYLZUITXBLOIER-WZONZLPQSA-N 490.561 0.041 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840912796 RKPOHHAEWJVZAG-AIYSXCBHSA-N 491.545 0.655 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842920755 VNPQEFGIUPXLGA-INIZCTEOSA-N 451.568 0.747 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CCOCCOCCOCCOC)C1 1845245936 ORZCLTDZDOYXEH-LJQANCHMSA-N 456.580 0.849 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C1 1845247995 MEAOFEWXUCWFLY-FHWLQOOXSA-N 476.574 0.600 30 20 JCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 21710247 SWCOFBSBHFPEGC-IEBWSBKVSA-N 461.519 0.700 30 20 JCED Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 59385358 BIEHBJSUAJWAPV-UHFFFAOYSA-N 462.620 0.660 30 20 JCED C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1=O 497674475 UYIJFXITEIRKAY-HXUWFJFHSA-N 451.468 0.905 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C1CCN(C)CC1 516374852 AOKHBPZMWCSWLG-UHFFFAOYSA-N 456.568 0.451 30 20 JCED Cn1c(=O)c2cc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)n(C)c2n(C)c1=O 517580483 MLHVMALALZDJJB-UHFFFAOYSA-N 478.488 0.717 30 20 JCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 518906471 OTGDEPYTDXUGBK-UHFFFAOYSA-N 466.422 0.318 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 522541789 WGCIHEGVBHQOES-OAHLLOKOSA-N 492.557 0.661 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccs1 524335807 KTOBTILTPWAYAX-UHFFFAOYSA-N 457.581 0.603 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2cc(Cl)cc(Cl)c2)n(CC(N)=O)c1=O 589157171 OWQXVMJIRJYFNA-UHFFFAOYSA-N 462.318 0.821 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C 590983165 FMPIVKLLUJUCAQ-UHFFFAOYSA-N 463.943 0.917 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(Cc3cc(OC)c(OC)cc3C)CC2)c1=O 603724440 YEZYVIOHYUCKQW-UHFFFAOYSA-N 455.515 0.572 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(C(N)=O)cc1 608828912 QTMTVETWTCLSPH-UHFFFAOYSA-N 453.549 0.874 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(-c3cccs3)cc2F)c(=O)n1CC(N)=O 608911176 OSEPFOKDILVGRZ-UHFFFAOYSA-N 498.561 0.625 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(N)=O 608912358 UYKAFXNZFDQTRR-UHFFFAOYSA-N 451.335 0.827 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1CCc1cccnc1 609333633 WXNCPCQCTWVBBJ-UHFFFAOYSA-N 464.547 0.822 30 20 JCED CN(C)S(=O)(=O)c1cccc(NC(=O)CON=C(N)c2ccc(S(C)(=O)=O)cc2)c1 726788628 SACVNBVHFSBARW-UHFFFAOYSA-N 454.530 0.616 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 727008591 PDWZESIHKXDHQF-UHFFFAOYSA-N 470.507 0.364 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)N(C)C(C)(C)C#N)CC2)cc1 748634659 RQGKNVYYBHPUGF-UHFFFAOYSA-N 478.571 0.912 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(Br)c1 839365533 XSPCHZUMUJIWRM-UHFFFAOYSA-N 488.367 0.661 30 20 JCED Cn1c(=O)c2c(ncn2CCC(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n(C)c1=O 916180507 RYMMMVQPKFCAOK-UHFFFAOYSA-N 484.416 0.219 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 918285611 PZIGHEFRLUJIQL-HUSAPJIJSA-N 456.546 0.083 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1 918656794 IMFKJCJUBOLGRY-PTGBLXJZSA-N 482.588 0.930 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)(C)C)s2)c(=O)n1CCOC 920394995 JIHFLUPVSONSCD-UHFFFAOYSA-N 464.613 0.966 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc1 1140242163 JBBVNCCFMYCLJO-DLBZAZTESA-N 450.517 0.733 30 20 JCED CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1303477435 YPXSPGZMYZNVCS-INIZCTEOSA-N 475.575 0.723 30 20 JCED Cn1cc(N2CC[C@@H](NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cn1 1354056727 SSQXAJOZXRTMGE-LJQANCHMSA-N 456.528 0.614 30 20 JCED CC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1359364106 JMQBPZOOORGWLG-DNVCBOLYSA-N 478.623 0.323 30 20 JCED C[C@H]1CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 1743341297 SWBHXKRFYXKFSK-NYUBLWNDSA-N 499.613 0.552 30 20 JCED CC1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1752262288 VXKWYVMAXQOJCW-MOPGFXCFSA-N 481.623 0.462 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760367292 PDPGSTYEMXHXDY-HUUCEWRRSA-N 460.004 0.384 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCOC1 1761497698 KWWYMGYPJYLTOO-AEFFLSMTSA-N 474.591 0.908 30 20 JCED COCCN(C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1769783942 JOKICRCFAXJONO-GOSISDBHSA-N 477.591 0.502 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)NCc1ccco1 1779139413 SJOVPOADBIRZSL-PFSQMVLRSA-N 454.483 0.994 30 20 JCED Cc1c(C(=O)N2CC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn2[nH]cnc(=O)c12 1780019761 QBQQOSPVGTZQGY-XVWINKBRSA-N 452.471 0.487 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1783862395 GVSQJBPCTALSFL-JTEXOJLKSA-N 496.630 0.932 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)CCO2 1783901462 QCSZBTHDDSBTKW-PBFVBANWSA-N 455.577 0.913 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CC(=O)NC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088441 FKSPOEYRRUCWBU-AOMKIAJQSA-N 450.536 0.518 30 20 JCED COc1cc(Br)ccc1CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784121312 KTUCIPFLQCHGOB-FQEVSTJZSA-N 465.300 0.918 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN3C)[C@H]2C1 1784831262 CTQWFUJTQFAAIB-HVTWWXFQSA-N 462.591 0.977 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785223130 KNPRLDIVDMGWDZ-UTBBOMKLSA-N 478.505 0.418 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785328123 JKJUSSOGYPOVAJ-BTWZCHHXSA-N 460.531 0.564 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1785578314 WRUOOGAEUKSCRP-VGOFRKELSA-N 460.535 0.415 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1785595988 IEIFOBFQEMCZLK-BTZRARBUSA-N 491.633 0.533 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1785596131 LXYPJWORSWLSJK-JRVVOHRXSA-N 489.529 0.801 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1)NC(=O)OC(C)(C)C 1788557216 HXFYQZNKSJXXPO-OVWQWFNUSA-N 477.562 0.702 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)N1CCN(C)CC1 1788660288 HAYCEBPQUSOKJT-AGZACMDMSA-N 465.595 0.131 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4[nH]cnc(=O)c4c3C)[C@H]2C1 1789175800 ICCBTWMSLCQCOI-DKIMLUQUSA-N 457.531 0.497 30 20 JCED CC(=O)NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1790697121 KOLSJFSQWBPDES-GPJHCHHRSA-N 497.596 0.985 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C[C@@H]21 1791279659 XACCWDPMRRRTBI-NBOOPKSLSA-N 453.536 0.999 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)c(=O)nc1O 1792132395 OZBDFZDBSQKBLI-BJLQDIEVSA-N 481.509 0.188 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1792793127 RCKSQIGECBDIAB-QHKNVMFKSA-N 496.630 0.932 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 1793347950 REJULWULDUPWLN-LQVYDPQBSA-N 491.585 0.496 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)ccc1F 1794090114 FTFVSZUCIGRAPR-REPLKXPHSA-N 462.547 0.608 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1OC 1794374293 PIBXOSJUPSBJLU-YYIAUSFCSA-N 473.530 0.605 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)c1 1795929875 BJFKHBRGVUAPRP-JLVBRIDZSA-N 455.496 0.227 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1796446862 KHSOWFQAQQYDQD-JXFQULDKSA-N 486.506 0.847 30 20 JCED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1)[C@@H]1SC(=N)NC1=O 1798495717 RTWXJLDQODPDOT-MMTIKZAWSA-N 451.549 0.956 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC=O 1799287737 PMDZEBXMJRMMPV-DFBDCSAJSA-N 452.552 0.570 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)C1 1800344639 NDPUGWSDEBMFNW-ALXJQNPVSA-N 497.556 0.682 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1801419799 XNQMNSCAZDOAIO-IGMJJTELSA-N 471.514 0.970 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2)NC(=O)OC(C)(C)C 1801930776 PDSKAHXRSNLYGR-QOIOWGMHSA-N 491.593 0.769 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801991982 AVHHHUMQQQPXGY-LOUJCGABSA-N 451.476 0.169 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC(=N)N)C2 1802139700 CRCJANMYRHKUOT-ORWHDGNHSA-N 467.592 0.672 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)O)C2 1802282579 JYURMEBSTYUJAI-UUAJXVIYSA-N 468.551 0.811 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cc2C1 1812881455 XUHFMZGGXKMQTP-JTSKRJEESA-N 450.499 0.521 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1 1819454711 SFQFREVZNBQPEY-YESZHJLKSA-N 466.495 0.995 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1824491468 SJERVAURKXZOMC-PKOBYXMFSA-N 498.584 0.092 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN)CC2 1826008007 NJZZFSURVZHNKE-OCCSQVGLSA-N 496.590 0.819 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)CN)C2)C1 1828494337 IEARFIZFDFMHMB-BMXCNYIRSA-N 497.596 0.892 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCN2C(=O)OCc1ccccc1 1828635018 XLFZTSJNPBIJNC-RUZDIDTESA-N 493.520 0.882 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCN2C(=O)OCc1ccccc1 1829226779 FKAPOCZUYIUMDE-DVECYGJZSA-N 454.527 0.986 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1829331113 ZADGLPHLAULGOB-VWLOTQADSA-N 492.488 0.474 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=N)N)C2)C1 1829461184 MTUJXCSHTBPFBL-QHCPKHFHSA-N 454.531 0.335 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c(O)cc3O)C2)C1 1829768723 GFSIXKFWYQBSPG-LJBSOROUSA-N 479.917 0.680 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1829773709 RDWRCNUYPABICL-IYZQMXKPSA-N 459.547 0.205 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831264343 STROJAZTCAJXCE-OPAMFIHVSA-N 468.551 0.048 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831325615 YYSMMUPJPRQLJS-BTYIYWSLSA-N 498.989 0.609 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1831398747 KFINOBFBFMEYMG-WZONZLPQSA-N 453.499 0.376 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1831402385 XMJXBNHESCJPPN-JDWVLIONSA-N 491.585 0.594 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C2)C1 1831421324 HZKRBWCYVJBYGL-CVDCTZTESA-N 480.583 0.816 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1831495748 LHXKWPUQAVGZEA-AQOAWAETSA-N 464.588 0.611 30 20 JCED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c1=O 1831889882 DXNOTYUUEFQOCZ-XMMPIXPASA-N 476.493 0.517 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1831997796 GGMZJSWPWFLMTE-DVECYGJZSA-N 489.573 0.945 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1831998594 IYNOZMYLZJUGHG-XFAGBWLFSA-N 496.605 0.827 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1833075481 QPNPHHXJESBARB-IZRJCCQOSA-N 493.605 0.260 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(C)c1C(F)(F)F)CCO2 1833324420 LIUWEQGKBGAMHB-FBQMEGEOSA-N 485.463 0.367 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)C(F)(F)C(F)(F)C(=O)O)CC2)CC1 1833663836 WPDHUCJMTIDOSV-UHFFFAOYSA-N 451.373 0.001 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CC2)CC1 1834706710 CKDVHXXYDIWXJD-WIYYLYMNSA-N 493.649 0.838 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1835714140 IRIRCKKMZDUGTE-IBGZPJMESA-N 462.551 0.936 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767528 CLZXJJLXUUIWEF-SPGMVNHYSA-N 466.583 0.534 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc4ccccn4n2)CCO3)c(C#N)c1 1836397511 QZPUTTAPAOXTTA-RUZDIDTESA-N 490.520 0.922 30 20 JCED O=C(O)CSCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1836520905 XASVEIKRGQWYIV-YADGQWAMSA-N 468.553 0.761 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836628804 CWKWBXDTXLFWEY-KRWDZBQOSA-N 455.552 0.765 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836848388 RCCRKCVPLLLUBZ-JBMWNJKUSA-N 452.471 0.511 30 20 JCED COc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1F 1837440892 FNBOTZXAIAOPLD-WGBQGACBSA-N 463.510 0.771 30 20 JCED CN(C)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488636 NAFWYOIJTUGDIK-VWLOTQADSA-N 470.570 0.916 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)C1 1837530128 JBTBDILJFCQMNO-RLQCNVNWSA-N 495.573 0.951 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1837531135 WXOISIFOQUNYAP-ALUBYUQESA-N 471.514 0.933 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531743 VXISIJXOLMMABC-CBGJYWBJSA-N 468.551 0.277 30 20 JCED COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c(C#N)c1 1837842143 PKERCLNXCHBTDJ-QFIPXVFZSA-N 485.585 0.701 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)c1 1838582312 KGCCHFLRKPINQK-FQEVSTJZSA-N 485.415 0.742 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838642453 OOWFDFAWSJXBKS-UHFFFAOYSA-N 461.515 0.419 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@@]45C(=O)Nc4ccccc45)C3)C2)c1 1838741981 KIRXGWFXZRNPGN-XYHYBEPMSA-N 475.505 0.866 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(C(=O)O)ncn5)C4)C3)c2c1 1839487484 KWNUYGPBPPHIGT-HSZRJFAPSA-N 491.464 0.307 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1ccccc1=O 1839488357 MVHACCLFPOMLSL-SSOJOUAXSA-N 490.520 0.927 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1839889595 DECKQXWAFJJAKB-IERDGZPVSA-N 491.532 0.930 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840017329 FQINHWIQQLVSHS-PBXQCXKZSA-N 497.548 0.862 30 20 JCED C[C@H](CN)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110932 MFFMQONYZQNQJI-MCFFVMPBSA-N 488.651 0.639 30 20 JCED CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840115849 JJVQUJORPUKOCZ-SBUREZEXSA-N 481.546 0.328 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC)C2)C1 1840156564 QMUQQSAHVMGBQT-SBUREZEXSA-N 498.577 0.658 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840436737 WKHHIADQJBLBMD-VWLOTQADSA-N 472.586 0.734 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840802426 LYQPMCFPTKABES-JWRHBCIMSA-N 498.577 0.887 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840843490 SCQBXVWTQZNPJJ-IUKKYPGJSA-N 465.547 0.084 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1840909141 NFTVOTMFLVSFKU-YIGJPRQDSA-N 494.589 0.226 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1840916293 VBBYTLGGVSHBNA-WZONZLPQSA-N 467.563 0.520 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845873335 DREOWLXXDVBMTH-SQWLQELKSA-N 454.618 0.324 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C#CC(=O)O)=NO2)C1 1847289492 AROQOGYOADXWSU-QQMNAOGKSA-N 474.514 0.822 30 20 JCED COCCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 20005844 OXVZZNJMXKMNJW-UHFFFAOYSA-N 492.536 0.956 30 20 JCED C=CCc1cc(CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc(OC)c1OC 497953388 FQARGNBTGGHSIY-UHFFFAOYSA-N 467.482 0.633 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c1 515624412 AKYIJAVDDNRVKQ-UHFFFAOYSA-N 455.536 0.632 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 549529732 UHYKKBQGSPDSQX-UHFFFAOYSA-N 459.531 0.955 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1C1CC1 590998681 IRQOGDAEJHGYQO-UHFFFAOYSA-N 459.524 0.536 30 20 JCED C=CCN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 596213546 VISOMVPVZFRHTG-RXVVDRJESA-N 473.603 0.543 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119922 SAFIRXZEWSGFTH-UHFFFAOYSA-N 486.619 0.166 30 20 JCED CSc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)cc1 604270443 ZRCGLAZFOPWFMS-UHFFFAOYSA-N 472.592 0.082 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccsc3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 608828429 SWOIWDNIATUVSD-UHFFFAOYSA-N 493.614 0.727 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCc1ccccn1 726182279 NOUNSQPKXBRXKQ-UHFFFAOYSA-N 455.565 0.578 30 20 JCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccc(OC)nc2)C1=O 726404474 YMPYETZQIFRYOR-CLXZYQIKSA-N 477.568 0.874 30 20 JCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 731409442 NJWYHVBFGVYDNE-UHFFFAOYSA-N 498.517 0.501 30 20 JCED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@@H]1COc2ccccc2O1 831250269 VRWHDSUFRNUWTD-LSDHHAIUSA-N 473.507 0.955 30 20 JCED N#Cc1ccc(NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 919626027 GRPWPPOJXOUKAH-UHFFFAOYSA-N 487.494 0.955 30 20 JCED COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1300283595 RSNLOPPAAIMBCQ-PMACEKPBSA-N 465.507 0.857 30 20 JCED N#Cc1ccnc(N2CCN(c3nnc(C(=O)N4CCCC4)n3CC(=O)NCC(F)F)CC2)c1 1303001029 YCPCYWGOFCOUCE-UHFFFAOYSA-N 473.488 0.489 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCC2(O)CCOCC2)cc1 1316533607 WUZZKNBRBNHQMT-UHFFFAOYSA-N 461.544 0.895 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359151166 OJBGOHFNMPEFSI-OAHLLOKOSA-N 465.967 0.753 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1503260212 ZFARSYBTCRYIQW-UHFFFAOYSA-N 487.586 0.826 30 20 JCED CC(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1508871263 KJGVBTLEWFSRQC-FHWLQOOXSA-N 481.623 0.460 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1541675657 SGPVPCQKTIMAQT-IRXDYDNUSA-N 484.527 0.856 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1554498667 ZCORWLHZAOFPEB-ZHRRBRCNSA-N 455.519 0.730 30 20 JCED CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1711288973 VHYQJBYSHAWKNX-UHFFFAOYSA-N 494.600 0.570 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CC3(C(N)=O)CCOCC3)CC2)c1C#N 1742670015 PWFLXBFXMPXORQ-UHFFFAOYSA-N 455.567 0.924 30 20 JCED COCCN1C[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C)(C#N)CC2)CC1=O 1749863931 GVDSOMADWHVGTG-SJORKVTESA-N 464.592 0.805 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCCCCC2)C1 1770350559 NLPGHBYZHNJRBW-QZTJIDSGSA-N 495.606 0.132 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1778082896 ZDWUNYWHRWONFV-RAZUEPIFSA-N 479.574 0.473 30 20 JCED Cc1cc2nnc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC5(O)CCCCC5)C4)C3)c(C)n2n1 1779062820 KOCBLMFNDCLQCI-XMMPIXPASA-N 466.542 0.883 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139441 TUARGGMAPQHICY-SKLAUCLBSA-N 469.494 0.991 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)cc(C(F)(F)F)c1 1781045623 VLZSPTUXTFODIH-ZWOKBUDYSA-N 452.433 0.743 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1781965469 CEJFMCPHOZXTLX-SEPYTNNBSA-N 475.542 0.845 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4cnc5c(O)nc(NC(=O)C(C)C)nc54)C3)C2)C1 1782884854 CDWSJSFXCSFSPB-DEOSSOPVSA-N 497.556 0.923 30 20 JCED CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783130784 JVKXWWTYZBHMHS-DENIHFKCSA-N 463.556 0.886 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1783531168 FEUGTQMBNFNEGT-ZVVBNGMXSA-N 458.559 0.226 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1783731597 JBUIVFLAHTUMRQ-DVECYGJZSA-N 471.558 0.783 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(S(C)(=O)=O)c3)[C@H]2C1 1783746372 CTTBVBYGIBJILR-KQYWMXRHSA-N 475.567 0.542 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3C2)c(C(F)(F)F)n1 1785157285 LFISJYSGFPLKGT-HJPIBITLSA-N 494.430 0.163 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785303343 LHCZSBLKNRPYOC-DGGJZMOXSA-N 463.531 0.988 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2C1)C(C)(C)S 1786677869 RFWDPPPLQJTOBY-RNGZQALNSA-N 498.646 0.846 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1)NC(=O)OC(C)(C)C 1786894664 WPPFXCYRLICBRA-VMXHOPILSA-N 495.621 0.418 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3nc(C)no3)[C@H]2C1 1787053955 YMIXWYPJMVVEPX-XSLAGTTESA-N 475.546 0.817 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1787125190 OBHRCZFZBRTZHA-HLXURNFRSA-N 481.590 0.928 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCN(C)CC4)[C@H]3C2)c(C#N)c1 1788193325 BKIVFBQYZUSSDZ-VJBMBRPKSA-N 469.586 0.336 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789769669 GWAIOGPUGBLQKW-HVTWWXFQSA-N 461.559 0.877 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]32)c(C#N)c1 1789839934 VEYIDQLFOBHIHK-GWKIZSTFSA-N 477.583 0.770 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)[C@@H]4SC(=N)NC4=O)C[C@@H]32)c(C#N)c1 1789842051 SREWIGFRFDTNNF-PSYVUVSZSA-N 499.593 0.892 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790226140 HKHMIAAUYLDMEQ-MWUWBQKZSA-N 480.500 0.899 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380370 YSGHBIVPEDMZCE-VMXHOPILSA-N 493.605 0.125 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21)NC(=O)OC(C)(C)C 1792111004 VVADERXOYQSBOB-MHORFTMASA-N 466.579 0.962 30 20 JCED COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1793172909 RKARLHBTZSIDQG-LXTVHRRPSA-N 475.608 0.797 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1793362217 VEZHFFTVKZEZML-UJWQCDCRSA-N 467.563 0.803 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1793599865 HYXWXJJAHYUQHQ-FVSFCRNKSA-N 483.562 0.661 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)c(O)n1 1793610415 PCUPFKOPSWUDBO-MFKICJERSA-N 468.510 0.424 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1)C(F)(F)F 1794111422 OQWFBYVLMCMYLC-MCYUEQNJSA-N 456.421 0.701 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)C2 1794522698 BTZRBYTWTAQSED-OAFZBRQQSA-N 487.557 0.902 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795424025 YAZZLYSACOHHDY-KYHPRHEASA-N 480.566 0.222 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1795895612 OXMFZWSFJRSGSO-IVZHHQAMSA-N 493.605 0.418 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOC2=O)c(O)n1 1797166478 CGIWYONRWZJPJN-CWPLJXCYSA-N 458.515 0.951 30 20 JCED CCOC(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)CC1 1797743845 VTJCPDIACOGXDJ-GZZBUKFJSA-N 463.579 0.916 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798101932 FBGGOJDRHCWDIA-DACLVMHWSA-N 487.513 0.295 30 20 JCED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)c1 1799603160 TTZWUCIEJDZEFQ-LJDSDSDDSA-N 481.578 0.990 30 20 JCED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCOCCOCCOC)C2 1800111068 RYAIOFDYTQAHRT-ACDBMABISA-N 470.563 0.830 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)=O 1800511965 MKWCFEXGUNEUJJ-ZMMAXQRCSA-N 452.552 0.572 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3ccc(Br)cc3c1=O)C2 1800779083 RSCYTNSWDCXPCX-SLAYPKMVSA-N 488.294 0.582 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOC)C2 1800981939 SXEIOENIAJUKMQ-ZMMAXQRCSA-N 498.577 0.418 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)cc1 1801197447 FQCVOYXKIGSKTJ-NZGUISNBSA-N 460.556 0.651 30 20 JCED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 1806901628 RJNRWMJFLZYMGS-KRWDZBQOSA-N 470.574 0.877 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCN2CCN(C)CC2)[C@H]1c1cccnc1 1806912679 QVGWLAAPQIKKGF-NRKRDLSISA-N 468.602 0.583 30 20 JCED CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)C(=O)O 1807203976 KJUPAYVPUMHYSR-JQVVWYNYSA-N 456.543 0.849 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807943523 WUDDYELLEKAUFI-AVRDEDQJSA-N 468.477 0.579 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1808280970 YYSIIXCZOAONKO-RDJZCZTQSA-N 453.503 0.884 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1808836055 CLFKFDBVHFHTHT-LMNJBCLMSA-N 479.603 0.619 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814979774 NUBNNMJLALTSNC-KBPBESRZSA-N 484.586 0.945 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815669801 URSYLOUQIKOYAK-NVXWUHKLSA-N 451.549 0.171 30 20 JCED NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC1(O)CCCCC1)CC2 1821037007 RRXRPNCQIYATKZ-ZDUSSCGKSA-N 468.539 0.956 30 20 JCED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1823081965 ODPZJJOSTQTATQ-VHSXEESVSA-N 459.492 0.296 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1824506650 WEVWSNHBFJSPAJ-ICSRJNTNSA-N 455.621 0.928 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCN2C(=O)OCc1ccccc1 1828981865 XZOPTXSUCOUDJM-DEOSSOPVSA-N 481.557 0.582 30 20 JCED CC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1829304314 SWNVBNOGRUWPRX-OPAMFIHVSA-N 462.572 0.893 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCN2C(=O)OCc1ccccc1 1829385481 XOXJXGTYTYROPP-ZHBSTKLQSA-N 491.504 0.963 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1829766112 MCTPKNJNDWUJLB-KSEXMQBYSA-N 453.499 0.491 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CCCO4)C2)C1 1829773726 RYQMPSJLHBOMSW-UTBBOMKLSA-N 469.538 0.940 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830464763 SOIHWQANNWMPIA-JOCHJYFZSA-N 462.934 0.419 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)C1 1830720176 URKHOFAQOXDJFK-RRQZXNHTSA-N 485.537 0.983 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831432606 BZNLFTWWHAGZMP-XYOOIOGLSA-N 469.538 0.944 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1831998947 VGQLHYAIZKJQDQ-HOYKHHGWSA-N 494.589 0.535 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832047211 QZPWRYGEDLWSFT-HOYKHHGWSA-N 493.605 0.734 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832793286 INQIPGINEXMKRW-JOCHJYFZSA-N 487.900 0.953 30 20 JCED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)cc1O 1833406613 VWAMMUVBHFFQBV-FNEOHHHZSA-N 460.512 0.696 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835358515 DSXPQTQQSDZCDA-AUSIDOKSSA-N 496.486 0.911 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2)c1ccc(O)cc1 1835413990 PEDXQTUXPVIMOX-LVXARBLLSA-N 483.565 0.968 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 1835644736 FGBSWPBXQXLXJQ-OAQYLSRUSA-N 457.531 0.808 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835849264 NZZAPIBMGYSWNU-NYHFZMIOSA-N 493.586 0.712 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1836697668 RATZILFNNAWZQP-UUOWRZLLSA-N 493.557 0.568 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837167490 YYEXEZSPMZLBKO-JOCHJYFZSA-N 455.519 0.081 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837400596 IINFHHAVDOGUOE-JPYJTQIMSA-N 457.531 0.301 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1837430125 KBNMLFORPQGZNU-GMAHTHKFSA-N 481.666 0.145 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837442230 UDJLDLUUNBFGNV-HLQTZPMBSA-N 462.576 0.497 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1837525932 ABJCSLFFPVELBJ-RVZOMNRZSA-N 460.531 1.000 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1837530158 JMBLACNRVCLOBQ-TWCYHLQGSA-N 499.524 0.934 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837531293 HNNGYHHBKSPRFK-KSWXWJQGSA-N 482.534 0.501 30 20 JCED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c(O)n1 1837531677 SUHGGVOVYSIMHQ-RGEBAEOJSA-N 462.503 0.695 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cc(Cl)ccn3)CCO2)C1 1837649154 DFNUWOAGGDNXCP-KKSFZXQISA-N 451.907 0.609 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCN(C)CC4)C3)C2)c1 1838580746 RBYHIFQSHVDYKM-VWLOTQADSA-N 485.585 0.274 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5c(c4)CCNCC5)C3)C2)c1 1838740069 FMAIQEKULCBDBN-DEOSSOPVSA-N 464.526 0.353 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)ccc1Br 1839400996 MBZSEDKXPDUMSF-OXJNMPFZSA-N 493.314 0.499 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401474 JSDMAJQHDMVFSL-SZNDQCEHSA-N 493.358 0.915 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839425343 WMNWZWIWLLJNKE-FGZHOGPDSA-N 479.917 0.897 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486022 IKHNHJIKANEIFE-GBXCKJPGSA-N 466.542 0.989 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(O)nc5)C4)C3)c2c1 1839489283 VYMRWFIGAHAXFC-QHCPKHFHSA-N 462.466 0.919 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4ccc(F)cn34)CCO2)C1 1839591264 OFLDTLXJIVPUIX-HSZRJFAPSA-N 472.521 0.825 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CC(c4ccccc4)=NN2)CCO3)c1 1839636084 HRMRPZBDVFCHPO-QPPBQGQZSA-N 462.510 0.723 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C1)C2 1839739368 AIMBEFZYKUUSBE-BVZFJXPGSA-N 499.568 0.772 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)C1 1839839598 GZFZHDKOGBVFSI-KBMIEXCESA-N 485.585 0.690 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840055322 OTIKUMCUSNFVBG-WAIKUNEKSA-N 496.561 0.449 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1840162236 PWMSNFSVJMFAQQ-BMIGLBTASA-N 480.328 0.403 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1840164920 JPFPGICXZGHMKL-ZSDSOXJFSA-N 475.608 0.425 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1840175879 KAFBSNOUDNTQMC-PDIWNELESA-N 467.563 0.779 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C(=O)OCC)CC3)CCO2)C1 1840816906 VWZDTPWRKIDTKJ-MBSDFSHPSA-N 467.563 0.902 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1840820550 WBENUBWSHDFRTF-BKMJKUGQSA-N 479.533 0.997 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OCC)C2 1841747357 OOXWPCNWXFMHEJ-CABCVRRESA-N 454.524 0.724 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841961520 PSCCZHZDCHBXCO-MSOLQXFVSA-N 483.525 0.659 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1C(N)=O 1848300433 FPJPCIKPQZIOAD-ULQDDVLXSA-N 455.515 0.913 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1 485255233 NBQKYYHLEVOARE-UHFFFAOYSA-N 465.513 0.641 30 20 JCED C=CCc1cc(C=c2sc(=CC(=O)OCC)n(CC(=O)N3CCOCC3)c2=O)cc(OC)c1O 488999134 MGVNISVGURZFDD-UHFFFAOYSA-N 488.562 0.384 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(CCN3CCOCC3)CC2)CC1 513819849 FFWIPYNTSNLZIZ-UHFFFAOYSA-N 489.642 0.825 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1CCCOCC 590903797 AINKKCBEVFKYNV-UHFFFAOYSA-N 471.535 0.879 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)c1 591393908 BUAZIPLBEROUSA-UHFFFAOYSA-N 466.541 0.428 30 20 JCED CN1CCN(C(=O)C2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2)CC1 603895172 UYPDSRXFEWRJBP-UHFFFAOYSA-N 487.626 0.972 30 20 JCED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccsc2)c1=O 608912089 NWEUJDRZANYQNY-UHFFFAOYSA-N 460.625 0.921 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 730565451 WOMAULYRHPVHPV-UHFFFAOYSA-N 496.570 0.657 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 821735688 ACIAJYOOBKVHNJ-MRXNPFEDSA-N 497.595 0.617 30 20 JCED COc1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C(=O)N(C)C)cc1OC 918406220 JHFNHLXGXHEVTL-UHFFFAOYSA-N 466.498 0.960 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(=O)N(C)C 918730290 XIPIEJRVUZOPTH-UHFFFAOYSA-N 462.478 0.405 30 20 JCED N#Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1C(F)(F)F 1186222941 XBUTUMYJHULMGW-CABCVRRESA-N 453.464 0.353 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCC[C@H](O)C1 1288863409 OSPVNCHMVQOVOK-IDCNUPLLSA-N 451.597 0.616 30 20 JCED N#Cc1cc(F)c(S(=O)(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cc1Br 1309496561 JTQUSIXKPBQRKO-JTQLQIEISA-N 455.331 0.796 30 20 JCED N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)CCO1 1555992352 OCYBMLZTICIQEA-CQSZACIVSA-N 467.864 0.972 30 20 JCED COC[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1697754212 OEAHIRCKDZCBLZ-DLBZAZTESA-N 464.548 0.586 30 20 JCED C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1760700420 PNDUFAXMYRJFSM-LJQANCHMSA-N 494.600 0.950 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CCO1 1767727361 QVGCOBMERGZTIB-SFHVURJKSA-N 488.570 0.647 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778163510 UCRXXZFYOXUYOZ-GAJHUEQPSA-N 478.546 0.575 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1=O)C2 1779421337 IUNZAQCSESASFI-GPWZLDIOSA-N 450.536 0.652 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1781111996 QZXYGMYGUYOZKZ-VVBPWWLESA-N 450.536 0.594 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1781271641 ZTWUZUDPOBXMHJ-SBUREZEXSA-N 458.515 0.539 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1781311286 QMSLFMSXNSMUPV-DRMXPCRNSA-N 472.542 0.822 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)C=CC3=O)C2)c1 1782316514 IISLUSXFBPVQDI-WZONZLPQSA-N 454.458 0.750 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782871508 JHUGIMDIWQZESN-XLNZFTOWSA-N 490.626 0.765 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783142830 SEXNJDVSVAOTHE-FDDCHVKYSA-N 464.563 0.649 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1783731600 JBUIVFLAHTUMRQ-NTKDMRAZSA-N 471.558 0.783 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)c1ccc(O)cc1 1784014650 OBSYJWNNTDVTQV-WXVUKLJWSA-N 456.543 0.312 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)C1 1784389698 KGCDKDRYUHOLIK-LYXWCMDISA-N 461.559 0.751 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1785572000 GKWGZSNYHDSVTA-KKBWGZJKSA-N 463.531 0.852 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785585072 LWBHFTGJLPEKMA-LNMJFAINSA-N 451.545 0.670 30 20 JCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C[C@@H]21 1786366428 WSJNRAUXEPHNHG-BQFCYCMXSA-N 453.503 0.073 30 20 JCED O=C(CCN1CCOC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788137895 ZBLWUJFJGKNSBX-FOYLYBJLSA-N 452.508 0.337 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1 1790855364 QMRHYLMCXDIRBD-NXOAAHMSSA-N 450.536 0.148 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791284025 XYLKTQUSGWKMIV-DRHFPXPNSA-N 455.508 0.111 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)(F)F)nn1C)C2 1792489908 BCAKYDWTPBFIDZ-BBHUDJRVSA-N 455.437 0.501 30 20 JCED COC(=O)[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N)NC(=O)OC(C)(C)C 1792634624 LDHSHLCJHVIDTH-JYYAWHABSA-N 466.535 0.582 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1792761597 DXRBVTVPCKLMMF-ZJCHSGNISA-N 451.568 0.961 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1793340060 JAGSQYZPBZDVCE-ZSXDVEMLSA-N 465.547 0.250 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1793340166 OCWBVFPOEAINJB-GWAAQYKKSA-N 499.630 0.276 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793587798 JBIFIJQIXAHUPP-WEMPKCCASA-N 485.537 0.800 30 20 JCED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)cc1 1796441544 UOVDQGBGJKIHQT-CEQLMSFQSA-N 460.556 0.381 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C\C(=O)NC2CC2)c(O)n1 1797610629 DSMSWZAPKHWKJC-OCVGUZQFSA-N 454.527 0.944 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2 1799323087 YHBPUAMYXOOUOJ-NLNMYJFZSA-N 466.579 0.960 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1799325272 ZNLGNXXBZCCFID-PKRADWSKSA-N 478.590 0.962 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnncc2C(=O)O)C3)ccc1F 1799327455 BJQCFPQCUFFDCY-YVWYUNDQSA-N 453.430 0.631 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799327614 NREYIRVDROKGPF-BAYUQKDNSA-N 475.473 0.324 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1799334697 STCITOMMZDIUKQ-OQEHDIDLSA-N 468.554 0.975 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O)c1ccc(O)cc1 1801121042 SNPPGWJMJVUARH-UHYQSWOWSA-N 465.506 0.404 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1802140680 BMWSTTVEXVLDFR-PZPPHJHLSA-N 460.535 0.337 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1804428590 FXPXPIGCTSHWRG-UUAJXVIYSA-N 452.552 0.984 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]3c3cccnc3)c2c1 1807026110 QMMBFXDXBGOQEL-HRAATJIYSA-N 497.452 0.874 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1809669795 XGICUTKIQQSGIP-FUPPJEDESA-N 471.602 0.825 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1812712244 KFKJIXPGRVGWLT-DHLKQENFSA-N 465.554 0.488 30 20 JCED COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC1(O)CCCCC1)CC2 1820190393 CBFKOOGYDWMRMU-RDJZCZTQSA-N 462.572 0.905 30 20 JCED N#Cc1cccc(CCC(=O)N[C@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)c1 1825320449 ZXXWSBUQWWGDGA-SFHVURJKSA-N 471.583 0.846 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829137545 JQSPVJWBYACCSB-GBXCKJPGSA-N 485.541 0.503 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCN2C(=O)OCc1ccccc1 1829243418 AQMJEWIRQMQRHH-DEOSSOPVSA-N 479.493 0.646 30 20 JCED CC1(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)COC1 1829330250 DPKAKJSGZNGWFB-DEOSSOPVSA-N 469.494 0.563 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330461 HGGDMUJUIXEERL-VWLOTQADSA-N 498.536 0.441 30 20 JCED N#CCCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332783 ZEZCZMGRPWKNFC-QHCPKHFHSA-N 452.467 0.830 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829717504 GONGIPRLFYBJAU-QHCPKHFHSA-N 474.583 0.442 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccc3C(=O)OC)C2)C1 1829763095 ZYADQTQXYWEZFT-ZOTQCUMXSA-N 499.564 0.721 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3OC)C2)C1 1829770504 UUWDDXQMLMXXFB-XBKFQHLESA-N 458.515 0.327 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1829773423 ITVDNSLSYHBJSA-FUMRIQNTSA-N 480.562 0.216 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5ncccc5n4)C3)C2)cc1 1829903150 KCLRZNKBDNTWBO-DEOSSOPVSA-N 460.494 0.914 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1830056891 ZREYSMYZVUSGQU-QHCPKHFHSA-N 479.497 0.191 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)c3ccc(OC)cc3)CCO2)C1 1830218666 PTPKRHBALKLRFN-DCLXLUIPSA-N 462.543 0.758 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1830345052 VCHWQMOOGIZXQK-QGZVFWFLSA-N 451.520 0.659 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1831727711 UGZBVOCPQIHORE-JOCHJYFZSA-N 456.886 0.957 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832005172 DKHIUFLMVGPCFQ-DVECYGJZSA-N 479.574 0.882 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832109571 PLLBMXDTTSLRQX-BTYIYWSLSA-N 478.575 0.899 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251624 UYXCNZLZDYVHLQ-XIPYGMLFSA-N 479.383 0.510 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)n(C)n1 1833446038 BWMZLAPXHBNCNC-QFIPXVFZSA-N 457.462 0.823 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833614056 FROIYSLFHVGGBR-QGZVFWFLSA-N 461.563 0.674 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cccnc3C(N)=O)CC2)CC1 1833918036 DFFQOCSYEDVORH-WAYWQWQTSA-N 468.558 0.224 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833980956 BBYDFWICERZGJE-SBUREZEXSA-N 473.530 0.463 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)c3ccccn3)CC2)CC1 1834722630 AQGAFDSIGTXEON-NRFANRHFSA-N 455.607 0.935 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cscn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768620 GWFHIZDSBVKGDJ-VGOFRKELSA-N 493.586 0.949 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835312104 JWZZHZWSNRRYMX-HZCFWTAGSA-N 492.573 0.191 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1835641924 HYBBKYBAVPWBEE-OAQYLSRUSA-N 454.568 0.605 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1835767520 CHWUEXRVQIDTHE-JECJHWOISA-N 463.579 0.709 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836871557 BFRPMLLCPLNHLJ-ROZQTZPBSA-N 472.502 0.328 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1837399252 PFWITVZYXSDFRD-YADARESESA-N 457.527 0.573 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837440992 LDYJHEXLPZSKME-BLTFUYFMSA-N 450.927 0.672 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1837447985 ZMAWXVVMFHZRSQ-JVIAMZDMSA-N 458.563 0.443 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837532920 ICLOWXUKZCIITL-POSBYCEFSA-N 476.530 0.834 30 20 JCED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)ccc1F 1837841886 GJKCNNIQYQPVME-NRFANRHFSA-N 473.549 0.831 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838117216 OJKLIEGQOSXSHZ-FDDCHVKYSA-N 455.515 0.928 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5ccncc45)C3)C2)c1 1838582428 MQLNAUAGMUKXQU-DEOSSOPVSA-N 476.493 0.993 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)cc2NC1=O 1838737948 HAVVZSVAMXDQNF-OWJWWREXSA-N 479.493 0.990 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739002 HXFLVFSJQWHLCD-WZONZLPQSA-N 491.545 0.232 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131054 JQFJQLGAUHRUGH-MZNJEOGPSA-N 472.542 0.480 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)N4C[C@@H]5C[C@H]5C4)C3)C2)c(C#N)c1 1839133115 ZLQASWLMBOKDKQ-HPSBNLBRSA-N 482.581 0.906 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)no1 1839363052 FYQLQCYGXGQICP-DEOSSOPVSA-N 481.509 0.549 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424151 QFKFPBNLOZDUEX-QRQCRPRQSA-N 460.918 0.972 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839739194 UOJNDAHTSMNWCD-CVDCTZTESA-N 488.545 0.614 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c(O)n1 1839781222 JHKNNGWFBAIDBN-AUSIDOKSSA-N 493.582 0.553 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)Cc3ccccc3)CCO2)C1 1839958245 YQFWUPISMUFQSZ-YKSBVNFPSA-N 458.559 0.328 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)CCO2 1840093235 UYIZPVSVVNTNJP-QFIPXVFZSA-N 498.001 0.878 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)C1 1840159244 ZMGYKDYISNDNKD-LHSJRXKWSA-N 483.974 0.840 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)OC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251667 SBQWUJJPHDSBIZ-GAJHUEQPSA-N 496.561 0.364 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2)C(=O)O 1840763276 SJNRPODWCHGQNZ-DVECYGJZSA-N 488.541 0.478 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)NC=O)C3)C2)cc1C#N 1840763590 GLGNWPPBFDFHGU-GAJHUEQPSA-N 458.515 0.550 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc5c4NC(=O)C5=O)C3)C2)CCC1 1840814241 WIJRGVPOLMEHFD-HSZRJFAPSA-N 452.467 0.585 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840851688 QFHHOMAZDQCENN-XUZZJYLKSA-N 456.543 0.862 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1840906462 CBYRZDIUWDFCAQ-TXXWUTRGSA-N 453.511 0.717 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1840909420 SPJBGURDPZTFNR-HOYKHHGWSA-N 491.541 0.759 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844298651 CRZJHXBKFSSHQD-QOEQQYGESA-N 468.551 0.995 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2CO[C@@H](CC(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)[C@H]2C1 1846196916 CRWKIXWPHDBMMZ-BZSNNMDCSA-N 475.542 0.940 30 20 JCED COCCOCCOCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)CC#N)C2 1846253793 LJLVWJRHGKAEHX-UHFFFAOYSA-N 485.578 0.223 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 16559274 NTSRZNGDARJTFP-HNNXBMFYSA-N 493.563 0.150 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 501763234 AOTZIZKAJWJRSY-UHFFFAOYSA-N 469.519 0.431 30 20 JCED CC(C)(C)NS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 514540454 KMPSDGJGISWHMW-UHFFFAOYSA-N 456.590 0.793 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)CC2)c1 518071162 KHTSWUCXRADNHX-UHFFFAOYSA-N 454.512 0.681 30 20 JCED CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 518134871 FRECDGASTUERCN-UHFFFAOYSA-N 469.523 0.732 30 20 JCED Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccn3)c2=O)cs1 523578018 QLKJHCGBLWLPCF-UHFFFAOYSA-N 467.576 0.674 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c1=O 590910273 UKXQBPKOKDQXQE-CQSZACIVSA-N 457.552 0.917 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 603793272 MWJQZUMJVRFBNE-UHFFFAOYSA-N 453.524 0.671 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CC(C)C 603989175 UIPRDKKJNHGJES-UHFFFAOYSA-N 457.552 0.993 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc4c3OCO4)c2=O)cn1 608884780 YFESESOUFXNPMY-UHFFFAOYSA-N 492.513 0.393 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3ccccc3)cc2)c(=O)n1CC(N)=O 608911476 HFJKWQBCRFREST-UHFFFAOYSA-N 492.557 0.240 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1cccnc1 609038474 GPQSCHQUVYMVGA-UHFFFAOYSA-N 496.614 0.980 30 20 JCED CN(C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(C)(C)C#N 749573889 UNXANPYPCUWTLX-UHFFFAOYSA-N 452.533 0.691 30 20 JCED C=CCc1ccc(OCC(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(OC)c1 794015819 KXGLROMNKGNYOV-GOSISDBHSA-N 466.556 0.677 30 20 JCED CCc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 839250087 GHYCEBMGWONTEE-UHFFFAOYSA-N 492.605 0.146 30 20 JCED CCc1cccc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3cnn(C)c3)c2=O)c1 839361602 BICINFYYAAAVAO-HNNXBMFYSA-N 451.552 0.849 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc1F 914659423 RQJCEMSKXGHXSB-OCCSQVGLSA-N 462.521 0.481 30 20 JCED N#C[C@H](C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)NC1CC1 916927606 YJARQZAUVYSCLE-QGZVFWFLSA-N 466.947 0.941 30 20 JCED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 916941989 CMDNWZRWSMUBMC-USXIJHARSA-N 461.496 0.546 30 20 JCED Cc1c(C#N)c(NC(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)n(Cc2ccco2)c1C 919128976 NNVOBUCKNLHVAK-UHFFFAOYSA-N 474.499 0.812 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc3c(c2)CCC3)CC1 920396979 UIDQEFJMXIUFAO-UHFFFAOYSA-N 488.617 0.788 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1297747854 RRJZWGRHRWTDSX-UHFFFAOYSA-N 487.586 0.584 30 20 JCED CNC(=O)c1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1314979714 PKWPUHGDJJRMRU-VBKZILBWSA-N 463.539 0.933 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNC(=O)C(C)C 1507786449 WBYXDYQGJVLFLM-CQSZACIVSA-N 493.428 0.728 30 20 JCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccs2)CCO1 1521130257 UCVNJLALJRACIR-KBPBESRZSA-N 450.546 0.400 30 20 JCED CCCNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1547243250 VPUMLIYYUDIGSF-INIZCTEOSA-N 453.569 0.267 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1547764441 KQYVWQXUYIMCIG-UZUQRXQVSA-N 453.547 0.615 30 20 JCED CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1=O 1614874247 QBWPIFVZOPMQOG-QFIPXVFZSA-N 472.571 0.815 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1627068170 UZEZBXAGFSQFOQ-UHFFFAOYSA-N 454.524 0.535 30 20 JCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(O)(CN3CCOCC3)CC2)CC1 1645074128 XOLFKTPHNXZDHS-JOCHJYFZSA-N 459.566 0.694 30 20 JCED CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1691593177 XBYLNKHFTCXGHH-ZWOKBUDYSA-N 454.572 0.979 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1([S@@](C)=O)CC1 1692796153 MGHFLLPKNDGBDM-IBADJEFMSA-N 492.631 0.393 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1698312541 YXBNOQZMRNQAIW-FQEVSTJZSA-N 473.603 0.745 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1710900751 YSPCEZHXYFPREY-UHFFFAOYSA-N 467.559 0.873 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCN(CCN(C)C)CC1 1723935382 OZSNUNBKPVGQHR-OXJNMPFZSA-N 470.619 0.604 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 1723959154 YLNSCFOYGAYSAU-IHPCNDPISA-N 489.602 0.691 30 20 JCED CCN1CC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1728573752 XQIWUQPCNDYFFR-MSOLQXFVSA-N 451.597 0.693 30 20 JCED CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1741700313 BGPSPRXBQQSNJN-OAHLLOKOSA-N 453.569 0.266 30 20 JCED COCCN1C[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CC1=O 1769877307 JNJUDBLFSKRXIL-DOTOQJQBSA-N 467.596 0.513 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777711669 IDKPGIOSENNEMP-AVBTWRTFSA-N 464.544 0.004 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1778969509 NTDHOVRHGDZWSP-KOAQGZTJSA-N 481.590 0.760 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1779099641 JYVWXPCJFAGXSJ-VHIFHAKESA-N 450.452 0.150 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1)c1ccccc1 1779183692 BXLCAYVRBPHCIO-AXHZCLLHSA-N 452.511 0.612 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(=O)nc6cccnn56)C4)C3)c2c1 1780060165 LVZSWSQWZYHVRI-XMMPIXPASA-N 484.476 0.595 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780599243 ZUNOGXVPFYRWOD-XMMPIXPASA-N 475.542 0.698 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)c1 1781097449 CWJCLMVFYAUCJM-HOYKHHGWSA-N 455.559 0.646 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1781269782 MYRSRCPZDHBPNN-UZUQRXQVSA-N 483.562 0.601 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)C(C)C 1781386613 JIBDFOIIMCWDFV-WCAVRKLYSA-N 477.562 0.492 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017794 LXIQNMFNCZCYKB-OMXJDXKCSA-N 495.529 0.045 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1783883285 GNVCZIIHYWISIK-XPGVTRPJSA-N 498.552 0.980 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783975826 NLWOYJFLGSJEBI-JLTOFOAXSA-N 492.495 0.964 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785151777 NNBRQWBHBMIPFR-WOYTXXSLSA-N 493.561 0.034 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)[C@@H](O)C1 1786367444 LVDCIUVHMUBLOF-IUUWJXCHSA-N 464.563 0.888 30 20 JCED CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)CC1 1786730275 ZEOQAAZJHHAONZ-FUDKSRODSA-N 469.586 0.554 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)C1 1788094465 KJAUWYKVXRKTKN-FKSLSLAPSA-N 476.574 0.888 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1788564670 IBVPIBCQYCGJHR-CEDAJAJYSA-N 453.540 0.203 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccnnc4O)C[C@@H]32)c(C#N)c1 1789841385 IRDHBHLCYWIFQR-YSSFQJQWSA-N 451.483 0.898 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1789928282 KRABACMVCNNZNO-NXOAAHMSSA-N 450.536 0.546 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1789929384 MZZHHXXPPURADX-CAMMJAKZSA-N 475.546 0.755 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(C)=O)[C@H]2C1 1790874531 CVKHRJVWNWHRRB-VJANTYMQSA-N 464.563 0.409 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1791258960 IJGODVTYWMCFOU-NQCBRMCBSA-N 457.593 0.655 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21)c1ccc(O)cc1 1791335115 UWGVBFASTQHABP-DIZVHYTASA-N 482.537 0.467 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C[C@@H]21 1792175319 PEVWREQNXSHJTD-FJIDUMEYSA-N 465.547 0.836 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1793599935 LFJNYXLGDAKUST-KYHPRHEASA-N 473.592 0.480 30 20 JCED O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1793861464 VEDPUNDLVLGPGJ-SBHQHFPNSA-N 498.536 0.791 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795411570 YLQMHJWPLGSNAR-ZMMAXQRCSA-N 491.589 0.641 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(I)cnn1C 1796747153 CPWPBHJXQPPNOE-JJLQDPRZSA-N 456.284 0.641 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796886982 YXJKJGLUUSZESQ-REPLKXPHSA-N 451.589 0.749 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C(F)(F)F 1799196162 HISQQIFUCBJKRX-YIDVYQOGSA-N 477.480 0.922 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1)[C@@H]1SC(=N)NC1=O 1799642159 CULPGSKVQSENIG-CUWKQTPXSA-N 455.540 0.758 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1)C2 1800774878 QFCIOXQXWGUOGV-HPNQWNLUSA-N 457.458 0.108 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H]2C[C@H](O)[C@H](C2)N1C(=O)OC(C)(C)C 1800787395 NCITVBHXDJFNKV-GXQGPDAOSA-N 491.585 0.373 30 20 JCED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C13CN(C(=O)OC(C)(C)C)C3)C2 1801601450 JPZWZQPBIARSAO-YYIAUSFCSA-N 465.572 0.682 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1802016276 AKJYTNFGOLMEDR-HPJXXVIVSA-N 469.604 0.651 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)CCC)C2 1802125624 KRQPJKADDMEMDI-IPLXSBJHSA-N 478.590 0.797 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](N)c1cccnc1)C2 1802127419 OXCWMRMHEOQSFL-AIYVTKCESA-N 485.585 0.978 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)OC)CC1)C2 1802140871 RJNSVJPAOJPUSF-NGIPEHDUSA-N 477.558 0.999 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCN2C(=O)OCc1ccccc1 1828591834 BUKHYOUYYKSOEJ-GIMINZRKSA-N 476.555 0.865 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1829763013 YCDOYMLAQLSPLK-JRUKXMRZSA-N 484.553 0.073 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1c[nH]c3ncc(Br)cc13)CCO2 1829845544 CFPHGYLBEAIJQT-HXUWFJFHSA-N 461.316 0.958 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1830054380 PFVUGQCHULHKCB-JOCHJYFZSA-N 463.556 0.857 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)n1cnnn1 1830464519 IQMIUXHELJGJMZ-JTSKRJEESA-N 453.503 0.195 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1830768898 JSQBPBOKZNAEQC-ZERTVAQJSA-N 452.552 0.456 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)(C)C 1831090063 XHWHNJGOCFZCIS-ODMQBNIASA-N 465.595 0.465 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(Br)nc3)C2)C1 1831397001 NQRISZDYZICTNI-IERDGZPVSA-N 480.359 0.881 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c[nH]c4ncccc34)C2)C1 1831403342 ZUATZKWKNNPOFN-UUOWRZLLSA-N 454.527 0.990 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C)C2)C1 1831997513 BNBKBNJYJDDILB-WZONZLPQSA-N 468.595 0.864 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)CCO2)C1 1831998729 RUCLENYPDZVJRO-KHCICDEESA-N 479.574 0.951 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccnc(OC)c1)CCO2 1832590215 IWGPOOORWCPIHL-ZKWSMMDQSA-N 472.542 0.338 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832934044 SQYOWMWDJIVUFV-UZUQRXQVSA-N 491.545 0.294 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833238818 HHQHWYDNYWQNEV-UZFJHSOTSA-N 490.561 0.355 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)CC2)CC1 1833464879 ARGACJHBRHEJNT-CYBMUJFWSA-N 465.444 0.952 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1 1833474991 WHAXROUTTSGVFC-HSZRJFAPSA-N 468.466 0.350 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](CC)NC(C)=O)C3)C2)c(O)n1 1833695830 HUCBQZYSVJPPPO-HYBUGGRVSA-N 474.558 0.891 30 20 JCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833833428 MYBVUYIOERRATM-ZIAGYGMSSA-N 463.604 0.883 30 20 JCED C=CCCc1ccc(C(=O)NC2CCN(C3CCN(C(=O)Cn4cnnn4)CC3)CC2)c(O)n1 1834028349 FOSVJRPFOMFEIZ-UHFFFAOYSA-N 468.562 0.778 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834311695 WBXIHGHAOOVEOU-WZONZLPQSA-N 473.530 0.463 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCS(=O)(=O)c4ccccc4)CCO3)C2)c1 1835146338 PDCSKSIKLIWKBG-QHCPKHFHSA-N 486.550 0.820 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835364296 POEJEJLHXXUOQU-FGZHOGPDSA-N 466.535 0.118 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)o1 1836027650 MVGRTOKIPKSXLC-QFIPXVFZSA-N 455.471 0.328 30 20 JCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n[nH]1 1836282082 QWPGNBOTWMSWPN-HSZRJFAPSA-N 453.499 0.993 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3nccs3)C2)C1 1837396003 AGEGALYQVJLUEU-QYWGDWMGSA-N 452.577 0.973 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1837396121 CDBIZUOCWGTOAK-NBGIEHNGSA-N 486.569 0.520 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1837403823 RYIBKFXZPOHBNT-TYBLODHISA-N 470.570 0.782 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446938 RQCZWTLAOLWHPI-YQNSVDCASA-N 467.567 0.439 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491502 OKBDXIWAVGCIJW-UGDMGKLASA-N 454.589 0.300 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1837527087 XGTYCGNXHRGGIN-XDVNXWPMSA-N 485.541 0.862 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530992 VWVGDCOBDIEZIG-HGYWDVMBSA-N 471.507 0.533 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837737152 RIDGJNFPYNKGOY-NFBKMPQASA-N 458.515 0.088 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c3ccc(OC)nc13)CCO2 1838486092 JOGYIDSHNIOLLP-ZKWSMMDQSA-N 483.525 0.500 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)n1 1838737518 WXXLSPNZULZWRA-NRFANRHFSA-N 470.442 0.582 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838764973 AUMAYHNSMXUAME-SGTLLEGYSA-N 461.441 0.467 30 20 JCED Cc1c(Br)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)nn1C 1838769028 QYXOHKFUKGFBEL-LJQANCHMSA-N 466.336 0.865 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)cn2[nH]cnc(=O)c12 1838951968 SHOLTCYSOIRAPF-XMMPIXPASA-N 476.493 0.587 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)C1 1839189678 YZGWGFVVPQQZJZ-FDDCHVKYSA-N 459.499 0.940 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC(C)C)N1C(=O)c3ccccc3C1=O)CCO2 1839216845 QNIRIKAWHIEGNY-NLFFAJNJSA-N 467.522 0.787 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2)C(=O)O 1839423781 WJJSYOHCTZCVIY-UWJYYQICSA-N 464.906 0.344 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1839805297 IBJVBXQYGIUTBZ-OAQYLSRUSA-N 453.511 0.815 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)COCCOCCOCc1ccccc1)CCO2 1840082655 IUIAVHLAPKVNNF-DEOSSOPVSA-N 460.527 0.326 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)C1 1840145541 JSTDCDKJAQPJNM-XLNZFTOWSA-N 478.590 0.704 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840359096 HKMUFOVUZSIANE-QFIPXVFZSA-N 454.487 0.075 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=COCC3)CCO2)C1 1840563171 FGDAQGAJQAVXCG-WZONZLPQSA-N 463.531 0.664 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1840818829 ZPGPQDPKNOISKJ-RUZDIDTESA-N 493.520 0.218 30 20 JCED O=C(O)C(F)(F)C(F)(F)C(=O)N1CC2(CCCN2C(=O)C(F)(F)C(F)(F)C(=O)O)C1 1841825975 RVSZWRMUGHRESV-UHFFFAOYSA-N 456.242 0.900 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CCCC34CN(C(=O)C3(C#N)CC3)C4)c2n1 1845884480 PTAXBBLZJVQRQD-UHFFFAOYSA-N 466.502 0.634 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1846216828 JADYEDUXDIYLFX-SJORKVTESA-N 463.579 0.842 30 20 JCED N#Cc1ccnc(N2CCN(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)CC2)c1 29445679 IUUKOFROHCQQQT-QFIPXVFZSA-N 476.537 0.586 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 489056783 XLQFCHUXNWVSDF-UHFFFAOYSA-N 490.532 0.649 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cccc(CN3CCSCC3)c2)c1=O 499235189 SSPYVFBBIXWNIQ-UHFFFAOYSA-N 457.556 0.731 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4NC(=O)CCC4=O)cc3)CC2)cc1 517877439 VEWJGBGQXNHZIQ-UHFFFAOYSA-N 467.507 0.863 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 522284708 RVHHFOSHGHYEAR-UHFFFAOYSA-N 471.535 0.079 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1 602252134 FHEJUBJCBZSUFO-LJQANCHMSA-N 466.450 0.017 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CCS(C)(=O)=O 729670949 CJLMSBOFNNGEGK-UHFFFAOYSA-N 475.592 0.548 30 20 JCED COCCNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 916891858 GNAQMTTXYHZCDR-QGZVFWFLSA-N 484.962 0.425 30 20 JCED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 916941983 CMDNWZRWSMUBMC-BHYGNILZSA-N 461.496 0.546 30 20 JCED COCCCNC(=O)[C@H](C#N)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 917422705 MXIOLIBQZKORBZ-MRXNPFEDSA-N 478.527 0.631 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 917692090 UDQQZWOPEDHNGF-OQKWZONESA-N 463.541 0.936 30 20 JCED Cn1c(=O)c2cc(C(=O)NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cnc2n(C)c1=O 918536011 OEXUTZOXKDQZFH-UHFFFAOYSA-N 467.385 0.641 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1302497585 XXZYHZVDAQLUPA-KRWDZBQOSA-N 457.560 0.861 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CC1 1313990962 NNMVBPCFUWYOBX-LJQANCHMSA-N 466.590 0.796 30 20 JCED C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359083558 MDQBAAPJGIJVSW-ZDUSSCGKSA-N 481.355 0.157 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCCC(=O)NC3CC3)CC2)c1C#N 1492727155 JKIMFWGHYQVYIM-UHFFFAOYSA-N 482.593 0.715 30 20 JCED COC(=O)N1CCC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1503890963 SAVHOKWGJHXJAY-NVXWUHKLSA-N 483.595 0.685 30 20 JCED CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1504528561 KNMVNRDVJXAQQO-RBBKRZOGSA-N 497.600 0.990 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1F 1541116364 NWZULRKSFRWLRO-HOCLYGCPSA-N 467.527 0.820 30 20 JCED CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1613439394 MFNPOGSYEHABFE-LPHOPBHVSA-N 469.546 0.985 30 20 JCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(Br)cn2)CCO1 1620356385 XZXPYRXNCSZTDU-OCCSQVGLSA-N 470.353 0.568 30 20 JCED COc1ccccc1CCNC(=O)CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1639871264 ZPOJTAPIZNHBHL-OAHLLOKOSA-N 458.540 0.987 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1692568212 NEHOGTRFFNMQFQ-UHFFFAOYSA-N 464.574 0.990 30 20 JCED CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1705961513 YXOPYXZCTLWQOW-IBGZPJMESA-N 451.531 0.980 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OCCN(C)C)cc1 1723956773 RQWLEPUIHCTYFT-APWZRJJASA-N 477.591 0.606 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CSCCS2)C1 1731014812 NJLHMFOBTGLCBD-GRDNDAEWSA-N 476.625 0.902 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCc3cn[nH]c3)CC2)c1C#N 1742669272 JSQMLOBOVMIIGM-UHFFFAOYSA-N 451.539 0.622 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1778381222 RMDAZFUZHQJVNC-RUZDIDTESA-N 476.537 0.965 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016553 JHKCHQXGHRYZGG-MSISTTHUSA-N 480.610 0.530 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1779069439 RRMZIMHVASKTJT-QPPBQGQZSA-N 471.510 0.816 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779364201 JDFXTKPHIKDAJT-UHBFXXKYSA-N 453.540 0.037 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780202466 WHTMYDGQUCNTSR-JJDHCWFKSA-N 480.481 0.834 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1781264040 OWTDGDYZLCKJAJ-HXOBKFHXSA-N 483.562 0.601 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(CC#N)cc4)C3)C2)no1 1781793359 JHEWRPYPCGOZSZ-QHCPKHFHSA-N 451.483 0.923 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782031681 LVRDQZFMVRKRHW-CKNGIIGNSA-N 495.529 0.045 30 20 JCED CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2)C(=O)C(=O)O 1782752720 UTVYOPVAMDBYKX-FQEVSTJZSA-N 482.415 0.564 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnc4ccccc43)C[C@@H]21 1783533347 WVEFKIQWSHEXFW-VWZTXQRKSA-N 451.527 0.874 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)c1cccc(Br)c1)CCO2 1783565907 RRLZXMMVORFHGX-PKOBYXMFSA-N 451.273 0.400 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783769012 MCKWACAQVUWKQK-MWTRTKDXSA-N 491.545 0.860 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1784494258 QKIRWEXCAHPVBB-JYJNAYRXSA-N 455.602 0.809 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)OC)C[C@@H]21 1784785019 UWSTVNSLSXIVJX-QAETUUGQSA-N 468.551 0.792 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)CCO2 1785427918 JXSQOKQHXWSHPW-VAXXYWNWSA-N 476.574 0.601 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cn3)C[C@@H]21 1786857157 BNFACJFHUWRVOR-VCOUNFBDSA-N 484.601 0.793 30 20 JCED N[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cccnc1 1786929151 BCMPHLBNAOMJCL-RBIWNUOPSA-N 459.547 0.980 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)CCNCC4)[C@H]2C1 1790620714 YDSDIDQOVIOKSX-BUKYEJPASA-N 467.570 0.222 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]3C2)c1 1790637237 WRMVOMWGUJTHEC-QZHFEQFPSA-N 456.499 0.450 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077734 GOBBBSXTGXXIDI-LTUQMJGPSA-N 461.515 0.454 30 20 JCED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)[C@H]2C1 1792082717 OMLAJWODISADLW-IHPCNDPISA-N 476.555 0.214 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792629424 ARFWUGCQMBLSNN-GYSAFQFGSA-N 484.619 0.788 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795641321 MJVGXIJIUGMOQS-IWSXDTNSSA-N 468.551 0.108 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797325212 MGGOICMIKFCVQI-FAQVEIGNSA-N 478.509 0.170 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NNC(=O)C2)ccc1Br 1797684326 SXOQCPSEZVKVAE-FVCICTRLSA-N 460.288 0.400 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1797712321 CLQCTHFVTFJMMV-ZRAXVTTISA-N 467.522 0.892 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797740185 ZGTOTVULWORRJR-NQTNZXEBSA-N 481.594 0.323 30 20 JCED COC(=O)[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1)NC(=O)OC(C)(C)C 1798695299 YHYQUZHPTLMIFL-LORHWOILSA-N 489.529 0.546 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1799320662 LQEKCQFNLYIRBM-RIUYPTKQSA-N 493.561 0.034 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)[C@@H](C1CCOCC1)CN3)C2 1800776109 VLYBWVBEBVVKQM-DSPLJNTKSA-N 467.522 0.914 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCS(C)(=O)=O)C3)cc1C#N 1801850181 BGAHCIUGOAVSQE-RMFSNUHRSA-N 463.556 0.983 30 20 JCED O=C(CCNC(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1801953381 MISZIQCFUCSEPL-QOSQLZEWSA-N 455.559 0.868 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1802124537 DZVGKJYXDCSNDZ-JTJHWIPRSA-N 499.568 0.318 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)cc1 1804191444 BPEPQGDDPNCIBJ-RDGATRHJSA-N 495.605 0.932 30 20 JCED N=C1NCCN1CC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810327527 PBZCTLUGDLIPMS-UGKGYDQZSA-N 452.559 0.626 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1810387410 FEDCTGZFOJXURQ-KQLUBGJGSA-N 487.582 0.530 30 20 JCED O=C(CN(CCO)CCO)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1812715810 YWMKGIZWFUHKKE-CBWPXHNPSA-N 457.531 0.086 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816673920 KBMKLWKZWKHMQI-UWVGGRQHSA-N 459.492 0.296 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1828579671 JEOBUPIAZQRVTB-UQBPGWFLSA-N 484.553 0.742 30 20 JCED Cc1ccn(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1828638340 VOCJDVZUMQPOBO-VWLOTQADSA-N 493.520 0.732 30 20 JCED COCCOCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828909743 MRFMQUBHRNYJMN-XMMPIXPASA-N 487.509 0.190 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)c(OC)c3)C2)C1 1829773126 BQWSCCUMIUSTSY-FUMRIQNTSA-N 461.490 0.763 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)cc1 1829903436 TXCMFDVNAJHBAT-HSZRJFAPSA-N 461.482 0.309 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904643 RRVFJDVERKVNPF-QPPBQGQZSA-N 487.509 0.052 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830882432 SZARDBJZXCCHTE-HTAPYJJXSA-N 487.619 0.638 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1831132793 IJGYHPYQYRJTJV-DEOSSOPVSA-N 479.574 0.788 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831175705 UUHCOEGXRUUVGE-UUOWRZLLSA-N 456.543 0.862 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1831396807 KOSRPMPUNSIZOC-YZZKKUAISA-N 465.547 0.491 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1831404053 HYEOCOUPKFRQII-VGOFRKELSA-N 465.547 0.538 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831420961 AVQHOLRIGROVCO-DVECYGJZSA-N 474.558 0.579 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1831433800 YVRYNRYWICLJCT-WZONZLPQSA-N 455.515 0.928 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1831998457 NESXZVYFRZBRNX-HOYKHHGWSA-N 489.573 0.945 30 20 JCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833273090 LZUNAYWLUQXKCD-WMLDXEAASA-N 458.625 0.762 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(-c4cccc(F)c4)n3)CCO2)C1 1833351669 PFTVCZBHQXDEKA-DEOSSOPVSA-N 499.547 0.758 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 1833464870 ALOPKQNSEYWZDZ-GOSISDBHSA-N 455.559 0.421 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H]4CNC(=O)O4)CC3)CC2)c(C#N)c1 1833513446 QQNDGHJIZDOJDP-NRFANRHFSA-N 469.542 0.789 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834251772 XWCPIGAPXFXHKY-HXOBKFHXSA-N 475.546 0.407 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835778581 RGPJRECQJUDJFC-BDFKGGEMSA-N 481.619 0.598 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1837399364 RPDHJEGQKYQBCT-ACJLOTCBSA-N 452.426 0.121 30 20 JCED NC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1ccccc1 1837442389 WXNCMRGVKSIXTN-IGUNIBHQSA-N 457.575 0.657 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530628 OHPSGOYNCVDGHE-JETGKSLASA-N 454.524 0.773 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1)c1ccccc1 1837615229 DJTNJUHNJPBJJH-GBXCKJPGSA-N 457.527 0.996 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)CCO3)C2)CC1 1838604090 HXXFNPUCGKXEOB-JOCHJYFZSA-N 468.470 0.052 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)NC=O)CCO3)cc1C#N 1839165171 BDAKDIONIDDTCK-UZUQRXQVSA-N 458.515 0.550 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1839173161 CGAHVGAQUKAIDF-UQBPGWFLSA-N 491.585 0.743 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839229127 ZRHGCMDIDKXQOI-IFXJQAMLSA-N 472.589 0.104 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1839483093 WIUQKRXBHGAIPA-IYZQMXKPSA-N 498.496 0.400 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840008757 QBXNZUWZIGUSLN-UZUQRXQVSA-N 463.531 0.102 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C2)C1 1840158206 HMCPPGOEJNYXIX-MWTRTKDXSA-N 490.557 0.819 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1840166933 MCWUYSGXENSAIP-XMMPIXPASA-N 456.543 0.792 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1)c1ccc(O)cc1 1840220773 DBBKBAMPCOLOMK-YBXDKENTSA-N 483.565 0.966 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)CCO2 1840312867 DRLXKVRNJDVWDP-MLGNTMETSA-N 496.608 0.966 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Oc1cccnc1)CCO2 1840453009 KKNBMDXVPQCYQT-MBSDFSHPSA-N 461.515 0.815 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1840480068 MNNBDCGCFXRTTC-VAXXYWNWSA-N 482.541 0.593 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)C(C)(C)O 1840815937 KMSUGTIFZKUIJU-MZNJEOGPSA-N 494.589 0.801 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840819080 NJJAPZUSEWSCPG-OAQYLSRUSA-N 461.544 0.410 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840842712 XGGCQQRXHFLBHC-UKDVSSAZSA-N 493.601 0.864 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1840907187 PZEOQLWLHBFAJX-SBUREZEXSA-N 475.546 0.705 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840909600 XGBGCJBZJUGGKV-DVECYGJZSA-N 488.541 0.307 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1841602926 AXOJRLTYBRHSDN-JKSUJKDBSA-N 451.520 0.685 30 20 JCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c(C(F)(F)F)n1 1843169068 OKOMPCJVFLAARD-UHFFFAOYSA-N 473.375 0.229 30 20 JCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C3)c(C#N)c1 1845139824 IRZWJUREFAVQHI-OAQYLSRUSA-N 464.526 0.783 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCCNC(=O)OC(C)(C)C 1847262879 MGCFOCDWXNBBRC-YHLLGKTKSA-N 450.536 0.588 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 10792401 OINXMDNNTHSSNP-CYBMUJFWSA-N 467.525 0.982 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)cc2c1OCO2 518712710 XIIVVHUFSSKSHM-UHFFFAOYSA-N 482.562 0.695 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CCN(C)CC3)c2=O)cc1 518715448 OTEQJOQGOZVRAR-UHFFFAOYSA-N 468.579 0.991 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(CN3CCOCC3)CC2)CC1 603851921 BRGNUGYHPCEAEX-UHFFFAOYSA-N 475.615 0.435 30 20 JCED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 604164732 VJPJGAUNDQHMTP-UHFFFAOYSA-N 464.482 0.879 30 20 JCED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 612314594 JNGYWBMOQANSNN-UHFFFAOYSA-N 452.433 0.770 30 20 JCED CS(=O)(=O)c1ccc(C(N)=NOCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 726788266 CUFATQGRAVBUDF-UHFFFAOYSA-N 474.539 0.516 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)cn1 729031551 LDLSCWSTFCIKCK-UHFFFAOYSA-N 455.492 0.955 30 20 JCED CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 877877224 SZWJOGBZHZFQOX-NVXWUHKLSA-N 471.557 0.363 30 20 JCED N#C[C@H](C(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917012716 CDVPPMUQWNYQOZ-QGZVFWFLSA-N 468.470 0.817 30 20 JCED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918446252 RQCNDCXFWRRVDF-QVINMUBDSA-N 451.549 0.859 30 20 JCED Cc1cccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)n1 1290021602 JQSHKGZFJDGNFC-XLIONFOSSA-N 463.539 0.999 30 20 JCED CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1295250646 RNJDNKHOYKURMK-UTKZUKDTSA-N 461.544 0.894 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1303301976 XWIZQNJOTIZMOT-PXNSSMCTSA-N 499.613 0.288 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1510115742 RVENMKYPIXSLPK-RBUKOAKNSA-N 495.650 0.709 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1517630685 XUANPUOPGCUWHY-KGLIPLIRSA-N 454.578 0.624 30 20 JCED COc1cc(C)cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1517948796 MBSFJJWDPIXWIK-RBUKOAKNSA-N 476.559 0.705 30 20 JCED COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)cn1 1519188915 WZRGVYSDABKDGE-SFHVURJKSA-N 450.503 0.932 30 20 JCED CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1555818252 UCYPKMBGTKVBFJ-UHFFFAOYSA-N 490.565 0.401 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1696629844 OPHBTQTVTSFGQM-SFHVURJKSA-N 458.544 0.689 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1=O 1730788669 JZCSLAZDFWTFCV-IBGZPJMESA-N 481.557 0.607 30 20 JCED Cc1nccc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)CC2)n1 1742625852 JASZHFBEYNDGAA-UHFFFAOYSA-N 467.559 0.791 30 20 JCED Cn1cc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CCNS(C)(=O)=O)cn1 1748011739 ITXCQDODSKSDSL-UHFFFAOYSA-N 483.602 0.812 30 20 JCED CC(C)N1CCC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1761183380 YMLIELIOCMOBIH-UHFFFAOYSA-N 453.547 0.900 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1761498309 RPTNIBVMHIGBAW-GSHUGGBRSA-N 489.602 0.626 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3(NC(=O)OCc4ccccc4)CC3)C2)C1 1778281953 HFKAUZDCXHDQOH-JOCHJYFZSA-N 455.467 0.363 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779018872 IIWOSXIPCBLHPL-IDYYFCTHSA-N 493.605 0.516 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780106353 YINFETWSDKFRPH-HOYKHHGWSA-N 472.542 0.745 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO3)c1 1780176003 VPKXUFLYPZTTKZ-NZQKXSOJSA-N 473.482 0.505 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780248878 UXUBTVMMOXXSGI-XDHUDOTRSA-N 487.557 0.910 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780598788 VLOHBHARHLRDLG-OFNKIYASSA-N 450.499 0.472 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)cc1 1780939192 VGHUBMOHNYFFGU-QHCPKHFHSA-N 465.535 0.907 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1781267054 KIHVCXYJZGTYIZ-UZUQRXQVSA-N 482.578 0.568 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781353975 BJDOVXQZVLHIPY-YVHKJVDXSA-N 470.567 0.893 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1781389971 AWMRNDLKKGMNAT-QRWLVFNGSA-N 452.533 0.730 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1781401020 LGPIVVZOHSUNNB-ZMPRRUGASA-N 483.566 0.386 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4nccn4)C3)C2)CC1 1781420213 BQZRPNAOUPQRIJ-QHCPKHFHSA-N 487.561 0.649 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)c1 1782056689 IGPLBJIPXWCEGF-JOCHJYFZSA-N 469.523 0.776 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195080 MSXDARWYUQJYEA-RCDICMHDSA-N 453.503 0.586 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C1)CCO2 1783055983 ILRVOOXBDFCDHV-HSZRJFAPSA-N 460.531 0.996 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)OC(=O)NC(C)C)C[C@@H]21 1783531106 BLMKZTVZXNHUMV-QJFPOAGESA-N 464.563 0.738 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)=NO2)C1 1783566249 SADXQTWJFCZWIN-DHIUTWEWSA-N 490.513 0.060 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO2)C1 1783769452 TYCHWLANBKDRMU-HYFFOGBASA-N 485.603 0.863 30 20 JCED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783836570 YHIKONIVOPCXFD-IIBYNOLFSA-N 473.592 0.720 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1784789181 NJPXAJGPRDLZPQ-FJIDUMEYSA-N 462.547 0.906 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c1 1785076260 VTRFRJPZUCIEOF-MGPUTAFESA-N 450.432 0.482 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2)NC(=O)OC(C)(C)C 1785304299 FKIWWOYDWCQTOI-CPJSRVTESA-N 493.649 0.923 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)CC1 1785345647 VEBAFKMACUUOOZ-QHCPKHFHSA-N 463.579 0.919 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1)c1ccc(O)cc1 1786647831 IMRUDSONXAVQFH-QIJZPMMNSA-N 462.568 0.914 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccccc4)C[C@@H]32)CC1 1788245976 MOZWUTPBLFLWIZ-VABKMULXSA-N 452.555 0.182 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788557071 FNTYNOJRZGHHAJ-CUSZFKRNSA-N 477.562 0.702 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788660747 JYTZEQGXUZJWCA-VDRBMUGGSA-N 487.557 0.709 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(-n5c(O)nnc5O)cc4)[C@H]3C2)c1 1789273601 SOTWQVAFFUESFI-IEZWGBDMSA-N 477.481 0.785 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789927733 APUSLOUVNGOMJY-QXCZDIPSSA-N 483.606 0.815 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789927839 BCFKXUIRYANZBA-FKSLSLAPSA-N 469.579 0.833 30 20 JCED O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1790654182 WXRKPXHCXGPNSI-ZITLTNSUSA-N 474.518 0.208 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(C)=O)[C@H]2C1 1790863228 PAPVNRARBJYUNI-HZZCBIDNSA-N 466.579 0.960 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792556863 WEWYJXCERANMIZ-JTJHWIPRSA-N 472.542 0.576 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793611203 MNVHMOLAZLNUTF-KYFSNAEOSA-N 490.557 0.361 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccn2n1 1796104266 STFSSJADUNBJQH-ZMMAXQRCSA-N 482.541 0.849 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc(CO)[nH]c2c1 1796869373 MAWJKLGTPPULOR-CWPLJXCYSA-N 454.531 0.540 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2ccc(O)nn2)C3)c1 1798579455 DDLDDGXLLPVYJM-FAQVEIGNSA-N 451.483 0.898 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2 1799156137 FAHUWOFOFOIYPH-GVJYWCCQSA-N 479.574 0.946 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799411233 CKZZUUBKXHJXDX-ZMMAXQRCSA-N 462.551 0.727 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](C)S)C4)c2n1 1800345414 UKLIRZYJLQKQFC-XPCVCDNBSA-N 491.574 0.034 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 1801867497 ZDIAVRUQUWYKTC-FCQWJQKHSA-N 453.495 0.910 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c1 1804095101 YMTBKCOURGZBNQ-HTAPYJJXSA-N 476.493 0.833 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1804189148 ZFENUTKWXVOKCH-BIGGXTMTSA-N 455.519 0.111 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC4(CCCN(C(=O)CC[C@@H](N)C(N)=O)C4)CC3)c2c1 1809823297 HKCXREJSPFPFKJ-QGZVFWFLSA-N 451.531 0.872 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812341124 BEUIUVKFDGBAQH-RXVVDRJESA-N 451.531 0.626 30 20 JCED CNC(=S)NCCC(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814979709 MTHYAZGPESBBHG-LBPRGKRZSA-N 451.622 0.821 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3CCS(=O)(=O)CC3)n[nH]2)c1 1815673226 SIDCLTMRINTQRU-QGZVFWFLSA-N 459.532 0.646 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1826823319 VKACGHIVILCILL-OKZBOYLBSA-N 451.568 0.728 30 20 JCED O=C(C#Cc1ccccc1)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828523420 QHUGMJXOVCFVGS-AREMUKBSSA-N 477.517 0.801 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1828989522 XPBSLUFJFBPYQW-XMMPIXPASA-N 487.557 0.031 30 20 JCED CN[C@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3(C#N)CC3)C2)C1)C(=O)O 1828990782 VLDCPBZQPJFPGC-CLOONOSVSA-N 497.552 0.805 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1829333611 AXMOMHXDYPFNMZ-IXFSTUDKSA-N 457.458 0.885 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1)n1cnnn1 1829396457 JLEYJQFMOJCVQE-VGOFRKELSA-N 466.502 0.600 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829532622 WMLFBKYKSNCPJM-NRFANRHFSA-N 453.442 0.939 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)cc1 1829901319 ZKUDPEDCZZJKQC-XMMPIXPASA-N 463.494 0.365 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CC)CCO2)C1 1830526307 UEZVUZJEJRJGJK-IECBHUPTSA-N 481.590 0.911 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1831137266 WQLSVZQCJQXUBF-NRFANRHFSA-N 454.524 0.288 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1831208952 BZXBLPODFAHRKB-YADARESESA-N 471.579 0.966 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccn(C)c2=O)CCO3)c(C#N)c1 1831888058 OHTVRSNMBAOMQJ-RUZDIDTESA-N 480.521 0.578 30 20 JCED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1832294009 SSNYOYHUXHPVAI-QHCPKHFHSA-N 468.514 0.373 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833430582 OQOAGDDLJRVXKM-FQEVSTJZSA-N 489.617 0.740 30 20 JCED COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cc1F 1833484979 VVHIRXOFUQEDGL-DEOSSOPVSA-N 475.517 0.998 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c(O)n1 1833696278 YQQRTVSATSNFJI-XDHUDOTRSA-N 472.542 0.502 30 20 JCED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)C2)n1 1833879710 KWIKRKADVKWZOW-LJQANCHMSA-N 479.419 0.484 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834441008 LKZDWOHMYQFRBL-SBUREZEXSA-N 477.562 0.960 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349548 JMBJUQKVHPBWIB-YKSBVNFPSA-N 472.517 0.633 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835392933 IOMWZEBFMJYAFR-YADARESESA-N 496.605 0.244 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ncc1[N+](=O)[O-] 1835677179 LEIVQLSKVFBTBF-QFIPXVFZSA-N 474.518 0.650 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1835681185 SKMMCPJMIUEFLA-QFIPXVFZSA-N 461.567 0.385 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#Cc3ccc(Cl)cc3)CC2)CC1)[C@H](O)N1CCOCC1 1835759797 UTLVISWSRDGXTE-VWLOTQADSA-N 489.016 0.914 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)o1 1836019321 MGPQTJCZOSHMGM-QHCPKHFHSA-N 453.499 0.881 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380789 GFLZKOWAULZERS-HTAPYJJXSA-N 465.572 0.908 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1837405090 GNHYUXXDNXLCLQ-RXFWQSSRSA-N 497.548 0.759 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837405287 LOKQGUSRVIVPPC-YKSBVNFPSA-N 457.527 0.967 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1)c1ccccc1 1837610478 SRXOOFGXDGXSLR-OFVILXPXSA-N 470.570 0.911 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838101766 DKNZWQARAKYVLU-NYHFZMIOSA-N 480.518 0.920 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)cc1 1838733283 XBGNELOMKYNVJW-REWPJTCUSA-N 454.483 0.699 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838742678 KYPACHVUXIFAHK-QFIPXVFZSA-N 491.520 0.915 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486214 NLPILAOJEWSIGU-NPMXOYFQSA-N 468.514 0.419 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839539521 PPFPWSRQCHMSGP-JKJLQIMHSA-N 454.531 0.876 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1839842136 LVDXQOXETMDBGK-UPCLLVRISA-N 480.525 0.853 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)CCO2)C1 1840006958 ZSHRMSGDTSLPLM-MPCDZSKCSA-N 491.585 0.738 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H]3CNc4ccccc4C3)C2)C1 1840041965 SANRCWWKYUDFBQ-HOYKHHGWSA-N 455.511 0.595 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)CCO2 1840108062 RUCLENYPDZVJRO-GLDPYIMESA-N 479.574 0.951 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840160567 LLDQYHBLLXSKNY-QYWGDWMGSA-N 473.592 0.397 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1840164916 JPFPGICXZGHMKL-PZPWOCDFSA-N 475.608 0.425 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)C1 1840292817 MVFJVJSDVDFFEU-SANMLTNESA-N 497.596 0.672 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1840906754 JIOAQHDGGFRXBC-OPAMFIHVSA-N 461.519 0.396 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1 1840913094 XMEQBBIWEQCRAM-NPFVIJTESA-N 453.536 0.559 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2 1841602819 JCKLIQWAODXUDW-QZTJIDSGSA-N 478.590 0.990 30 20 JCED O=C(C#CC1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1847749265 JUXYTYWISDYAFY-SFTDATJTSA-N 457.552 0.936 30 20 JCED C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O 24138829 DRUWXCUHXYJBAN-QHCPKHFHSA-N 499.524 0.997 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC)n(C2CCN(C)CC2)c1=O 522149330 AXBWZEQVXQXVNO-UHFFFAOYSA-N 471.539 0.732 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1ccccn1 523579822 IFMHGCCBYYOWJA-UHFFFAOYSA-N 496.614 0.980 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCNS(C)(=O)=O 608912380 KGHPFYLLRITBNI-UHFFFAOYSA-N 468.626 0.248 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc(F)c2F)c1=O 609351132 NTPXOIRDINCORF-UHFFFAOYSA-N 496.561 0.299 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC(F)(F)F)cc1 839343966 LPCYZIKTOMYYST-UHFFFAOYSA-N 493.467 0.797 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)c1 918288511 ANZWSGOMKKOHME-XIEYBQDHSA-N 471.543 0.577 30 20 JCED N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(C(F)(F)F)c1 918539166 YVHFKXIDPYOEMG-RYUDHWBXSA-N 479.458 0.418 30 20 JCED COc1cc(C#N)ccc1OCCCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 919819533 WHJUCROGPUSPNU-KRWDZBQOSA-N 485.584 0.387 30 20 JCED C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1288932996 LGRYOKCUYBDDLX-GZRFBZBPSA-N 465.507 0.836 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 1295755510 PDTBQDXWZFXNNM-XIRDDKMYSA-N 450.561 0.892 30 20 JCED CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1=O 1313917288 XARMCKSWENIGOO-UHFFFAOYSA-N 457.560 0.911 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1315018173 RXOJVJCNMUKWOY-GOSISDBHSA-N 488.570 0.505 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCn2cncn2)CC1 1444688398 QEWYSFFFOIDZNS-GOSISDBHSA-N 459.576 0.576 30 20 JCED CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 1473277470 KAQCULUTXDSJCV-FQEVSTJZSA-N 451.568 0.890 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CCO1 1554452063 UIWMMQKGCCOBQO-GOSISDBHSA-N 490.586 0.893 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C1CC1 1617907818 JSONAZGIGJYPQO-LJQANCHMSA-N 487.586 0.645 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 1631206392 MRBZWURNFGGFAA-AWEZNQCLSA-N 451.888 1.000 30 20 JCED C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1662090517 KKDPNUDRXCQURZ-YJBOKZPZSA-N 456.590 0.674 30 20 JCED CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1711219797 PHUMIUPTZUYPCE-UHFFFAOYSA-N 453.547 0.867 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ncn4c3CCN(C(=O)OC(C)(C)C)CC4)C2)C1 1778069342 MJLBSBMDBQZGMJ-HSZRJFAPSA-N 457.531 0.753 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CC1 1778116464 DKDFSHNAJFETJE-UKKLRFBMSA-N 466.560 0.200 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778869828 HLFPYEIHZPDHML-UGJRNGHWSA-N 454.483 0.409 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC)NC(C)=O)C1 1779557035 VEWBNANIOFUEFO-NJNPRVFISA-N 453.536 0.161 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)c1 1780934702 XURLCZBEXGBYRJ-XMMPIXPASA-N 495.561 0.915 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781295468 RSRRHLMPRDKXOW-HRAATJIYSA-N 463.539 0.363 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781859940 WNSBXSUBHUBVEV-FDDCHVKYSA-N 465.547 0.358 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)[C@H](O)C1 1782009656 SEMQMESPPTYMTA-UTBIRPSLSA-N 493.557 0.206 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@](C)(O)CC(=O)O)C1 1782203999 GAWWAOZKCWQWDG-URZJWIJPSA-N 452.552 0.398 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CCO2 1783046077 JGQZESUNXITONZ-HJPURHCSSA-N 480.562 0.868 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783152778 VUKNHMQMTKYCEU-OPAMFIHVSA-N 452.552 0.941 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)c3ccccc3)C[C@@H]21 1783528147 HKAJFWPBKSQTIH-AUYWWFPISA-N 468.554 0.597 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1c[nH]c3ncc(Br)cc13)CCO2 1783554681 DNDLOLLPAMRXMS-HXUWFJFHSA-N 475.299 0.786 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC(F)(F)C1 1783561892 OIVMBEKAQHCORE-VFNWGFHPSA-N 485.484 0.797 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)c2C1 1783564884 OMGAFCMUGRRGJI-QHCPKHFHSA-N 487.513 0.165 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565725 PQUJOURPBOFIKH-GAJHUEQPSA-N 461.515 0.601 30 20 JCED CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1783584079 RRVJOSPQACGWHU-BOLBYERCSA-N 452.515 0.943 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1783765937 CQPXSIVEUCMGBQ-JPYJTQIMSA-N 466.579 0.618 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784093380 KSVPTCLDACRFJX-GAJHUEQPSA-N 473.530 0.779 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C1)C2 1786698096 ORZTWUPLQCJXDU-DWRORGKVSA-N 469.542 0.906 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC#N)[C@H]4C3)csc2n(C)c1=O 1786705634 VIGFSNUSJLIPSS-BPUTZDHNSA-N 473.555 0.125 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]3C2)c1Cl 1786791122 INBROVVSOPZWJA-BPUTZDHNSA-N 470.850 0.530 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1 1787392202 RTNIWYUQZBYPKG-QAETUUGQSA-N 457.593 0.771 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1 1787392473 GVWZFINOYBLEDJ-WOYTXXSLSA-N 459.609 0.806 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC5(O)CCCCC5)[C@H]4C3)CC2)CC1 1788637775 ZWXVKRMSWNKQIU-FKBYEOEOSA-N 472.630 0.445 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789934621 YMKRLCIZVLIOMW-VPAKFMSCSA-N 483.606 0.815 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)[C@H]2C1 1792279330 PJRSOMUJYAKKGM-YYWHXJBOSA-N 477.558 0.839 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C[C@@H]1CCOC1)NC(=O)OC(C)(C)C)C2 1793342947 BGTRJAAWLFIYIQ-ZWJPJJENSA-N 493.601 0.934 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn2nc(N3CCOCC3)ccc12 1796431292 YXCBVHDNMVGKDC-OKYOBFRVSA-N 466.542 0.856 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c2c1OCO2 1798626441 RUNZQLMZPUAUEW-XOIINTDNSA-N 473.486 0.809 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C 1799391509 MSELYIGOVPJCFM-JCECYMMASA-N 470.567 0.917 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799753853 VDABCBBYQORIIG-VAKZPMALSA-N 484.944 0.885 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)C2 1800987218 BVKOEFSZXYRGEB-BMFAXAFESA-N 489.635 0.842 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801051628 QRNOLFPVJRJDID-BSQBWSPESA-N 471.620 0.902 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1ccnn1 1801390713 LQASPLRTLREYNN-ZMMAXQRCSA-N 462.551 0.727 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C2 1802020767 CYSWJKBXINNXQM-AJYBTWMASA-N 492.573 0.795 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 1802024909 CVRBEHFCIZTZCA-ZMNKMHGQSA-N 481.549 0.761 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1802124592 BYJHQLOFLQREGA-AXVVYFOYSA-N 462.547 0.115 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1802125826 WDGHXAYHJHMNLS-ZMMAXQRCSA-N 482.541 0.849 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)C[C@H]1CO2 1807749117 MHIUSXYPWMQQEW-GQKWOBABSA-N 498.536 0.954 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1808407042 JKJUQYVOAAKXRJ-AAZQJQCHSA-N 489.598 0.371 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819887772 WRMPVCCFDTXENL-YWZLYKJASA-N 462.572 0.404 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CC3)CC2)n(C)c1=O 1826680169 DRVDVKVMFUDWLD-QGZVFWFLSA-N 481.557 0.357 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCN(C(C)=O)CC2)CC1 1828488101 PWAOXYXSQDVARV-RHVSLNNASA-N 473.618 0.629 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@](C)(O)CC(=O)O)CCN2C(=O)OCc1ccccc1 1829355621 ALIKWPWIENZHDL-DNQXCXABSA-N 471.510 0.688 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(=O)OC(C)(C)C)C2)C1 1829773375 IFBLUUXTQZPDRP-NSPFCHEASA-N 494.589 0.605 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)[C@@H](O)C1 1830049429 DWSKMCFWDFVBCF-LLJLJFOGSA-N 494.589 0.610 30 20 JCED COc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830226770 AHUJLLYEAQYIFY-XMMPIXPASA-N 474.558 0.812 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1830461430 IWTDYPYJOXGGIP-HSZRJFAPSA-N 451.483 0.344 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCOC)CCO2)C1 1830490640 URLQFJBUZRUZFY-WZONZLPQSA-N 467.563 0.786 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1 1830777507 JEJFTUWUIMMCJN-MBSDFSHPSA-N 492.598 0.668 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831225742 YTKVCGQWBMGOQL-KOSHJBKYSA-N 475.542 0.782 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1831398596 HRHLZVYSROUXCL-OSPHWJPCSA-N 455.511 0.680 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1831413404 WRWREJRDCTYSGD-DEOSSOPVSA-N 475.590 0.771 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)c1ccc(O)cc1 1831576330 NDQMAOUWVVHPDZ-LJFZDNNRSA-N 471.510 0.454 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)OC)C2)C1 1832000036 FUBIGCAYONYHOM-HYFFOGBASA-N 455.552 0.947 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832668565 RRSFROJKXUJBCD-XDHUDOTRSA-N 489.525 0.835 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CCn1c(=O)oc3ccccc31)CCO2 1832755117 FJVKZQBPWOEQKH-DEOSSOPVSA-N 453.495 0.854 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)C4=NNC(=O)C4)CC3)CC2)cc1 1833041540 CCMNTEQAUBYMFY-UHFFFAOYSA-N 450.543 0.938 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1833075033 LPBLKJNHZSWLGE-PLNGDYQASA-N 486.573 0.143 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1833400486 WFQWKUJTAAKKBS-OAQYLSRUSA-N 473.511 0.069 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1834774783 CXAIQMXNCFRLTG-NFOSPISASA-N 459.474 0.816 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCN(C)CC4)CCO3)C2)c(C#N)c1 1835402358 BRQJFUIAJXVFQO-AREMUKBSSA-N 499.612 0.203 30 20 JCED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835625917 GVSFSMDJYDDYBY-WDEJNSOPSA-N 451.480 0.164 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677438 IJSNWSDAPNXVSF-FDDCHVKYSA-N 458.563 0.620 30 20 JCED COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)C4=NNC(=O)C4)CC3)CC2)c(C#N)c1 1835702116 FWVSFNFOHABJGO-UHFFFAOYSA-N 466.542 0.557 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1835731533 YHZKSRGVOHZBRK-BUVRLJJBSA-N 459.551 0.545 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)C(=O)O 1835761832 AVXVGBVPZMUYOF-KKSFZXQISA-N 464.906 0.344 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1835768764 DPGNEOVWCPRTCS-KXWHUPIZSA-N 484.561 0.839 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836725825 FSMNILRGJHKHHN-MHECFPHRSA-N 493.557 0.711 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1836874604 YOBQBSLZTFBACF-KRWDZBQOSA-N 470.636 0.948 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1837447127 UXSQBNCCGWRXOR-SPWKAKNPSA-N 495.580 0.825 30 20 JCED Cc1nc(N)sc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527328 LMXGMWVYHLESGX-BNYUCHOMSA-N 467.548 0.633 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1837530245 KBSJKCBUUNNWAK-IWXLIXGASA-N 471.514 0.933 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)N1CSCSC1 1837573552 FZONLSHRXFSLIE-MGPUTAFESA-N 465.601 0.999 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(O)no5)CCO4)C3)c2c1 1838109495 UFWALBIUQGIOOI-NRFANRHFSA-N 452.427 0.512 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(-n5cccn5)nc4)CCO3)C2)c1 1838120035 DIDAQRQSEDVXDW-HSZRJFAPSA-N 461.482 0.851 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838392739 HIXXMGYOBZMWEZ-DOZBRYHWSA-N 465.595 0.608 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c1 1838584563 YTHVQIWRNAFZDU-XZOQPEGZSA-N 475.498 0.253 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)N1CCN(C)CC1 1839104632 IGCKXWIFXFLENA-CJFMBICVSA-N 485.585 0.029 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1839174178 KEMWWGCIOSOHFY-FQEVSTJZSA-N 452.895 0.709 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187194 OULONXRZOCZVFK-WAIKUNEKSA-N 475.521 0.404 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)no1 1839421046 SDLYHYIVNGVEFF-QHCPKHFHSA-N 485.472 0.494 30 20 JCED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839885887 XUWGEHSLPJKXDN-QFIPXVFZSA-N 454.487 0.031 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C[C@@H](F)C1 1840042747 MZASKEJNRGAXCJ-MFEFFIJZSA-N 497.520 0.126 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(Br)c(F)c3)C2)C1 1840044456 IZFZJJOVOBEJLR-HXUWFJFHSA-N 483.290 0.675 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2)C1 1840167992 ZSLKCLLSIHENGN-MBSDFSHPSA-N 467.563 0.786 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CC(N)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840252106 NNENIPANLUAQEJ-LLJLJFOGSA-N 494.589 0.520 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1840293353 WADADBPKFQDGPV-LDBYXDLTSA-N 450.561 0.439 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840356829 FGQWCZVUBKHOQG-MBSDFSHPSA-N 492.577 0.594 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1840906930 LVTSZAJALPMLJK-MBSDFSHPSA-N 473.530 0.463 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CC(O)C1 1847515103 VVAIGXHIFIUUBP-QEXNXIHPSA-N 480.562 0.765 30 20 JCED C=CCn1c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nnc1-c1ccncc1 10491820 JABBRPKQAJOSEE-QGZVFWFLSA-N 462.601 0.950 30 20 JCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 24770616 WCILDKAXSPNOCZ-NRFANRHFSA-N 485.541 0.969 30 20 JCED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 480158779 YPTTUTPAFWCDMQ-HNNXBMFYSA-N 473.551 0.754 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3c2OCCO3)c1=O 511139450 BOGNRBAHHUDGKG-UHFFFAOYSA-N 473.551 0.373 30 20 JCED CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 514337080 UCKJDNYACSIPKS-KRWDZBQOSA-N 454.574 0.453 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(CC(=O)NCC)CC3)nnc12 515503105 VADDTBQILGZYEQ-UHFFFAOYSA-N 469.571 0.603 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 515595588 OXQSTLMVPLBGIY-UHFFFAOYSA-N 465.474 0.380 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 518905572 QNTYZEPRHRFPOF-UHFFFAOYSA-N 480.449 0.871 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Br)s2)c1=O 590984058 QNTOWGDCZSSFHN-UHFFFAOYSA-N 483.413 0.222 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 603794857 OBMXWVBIOXWPMD-UHFFFAOYSA-N 455.540 0.895 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c1=O 604533101 KTVWJFUPMXOFBT-UHFFFAOYSA-N 487.538 0.333 30 20 JCED CC[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726404015 QBPGQTAETMWNKA-TYMYQHCTSA-N 483.616 0.573 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccc3ccccc3n2)CC1 728530825 VGCPWBRUBHKTSO-OAQYLSRUSA-N 467.595 0.980 30 20 JCED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CCO1 728757981 SZBJOQPKYINQKS-JKRPTORDSA-N 480.543 0.619 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 769777085 JPLALDIPTKBDTL-HNNXBMFYSA-N 474.495 0.346 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)cc1F 839359079 ZCYOJWPFBRRBLS-UHFFFAOYSA-N 453.499 0.442 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 915298791 WIZNIWKHMHBEAU-UHFFFAOYSA-N 463.497 0.679 30 20 JCED CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 1135853963 QINVAUADWDQKID-UHFFFAOYSA-N 459.528 0.999 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 1136478506 ZEQUSRCWEGQKSO-UHFFFAOYSA-N 456.528 0.087 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCN1CCCO 1288841677 SCICJTLNSWPQOU-QKLQHJQFSA-N 453.613 0.865 30 20 JCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1467706813 JVXVWSQABITXQQ-RDTXWAMCSA-N 458.544 0.493 30 20 JCED C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1508433114 LLELZQPUPYUOGX-MRXNPFEDSA-N 486.602 0.155 30 20 JCED C=C(Br)Cn1c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nnc1C(C)(C)C 1539612296 KHSPZQMRYSYMDU-UHFFFAOYSA-N 467.372 0.951 30 20 JCED C[C@H](CC(=O)N1CCN(c2ncccc2C(N)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1583717520 LSWVXLCKDPPGSD-CQSZACIVSA-N 456.528 0.346 30 20 JCED CSc1nc(O)c(C(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1C#N 1616282520 VJYXZJFEYWGSKX-OAHLLOKOSA-N 454.574 0.732 30 20 JCED N#Cc1cccc([C@@H]2CN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CCO2)c1 1633294132 JKWQXWGQYGPWAD-FQEVSTJZSA-N 454.508 0.892 30 20 JCED C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1692796550 PENRMOMLQWQGGW-JKSUJKDBSA-N 461.596 0.432 30 20 JCED COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1768601455 VBSACMYFGOUCNJ-RHSMWYFYSA-N 464.548 0.877 30 20 JCED N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCN2CCCS2(=O)=O)c1 1771531302 JPTQGONZWXIYRG-UHFFFAOYSA-N 457.560 0.944 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779103508 WETJEDOKMJAKSV-GNZRIKRXSA-N 452.508 0.874 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779205632 FXWDTUWGKHUFAL-MHECFPHRSA-N 485.541 0.767 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1cccnc1)C2 1780735269 OPUNLPCZRPNSNJ-NTKDMRAZSA-N 472.542 0.835 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1781161020 BUMWTQJVFVTAEA-MHECFPHRSA-N 493.605 0.784 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781307921 HOBLKIDRIFANOE-VKMRPIPCSA-N 492.573 0.359 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781320800 MHBMYMNZTQAKRA-JPYJTQIMSA-N 467.563 0.522 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)N(C)C(=O)OC(C)(C)C 1782013793 KNRUOWPDTSKQGV-XCGNWRKASA-N 451.520 0.844 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncn3c1CCN(C(=O)OC(C)(C)C)CC3)CCO2 1783050085 FZPIFIJZALQJIF-HSZRJFAPSA-N 457.531 0.753 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783682690 NWXMEPLDCAKSJG-QAETUUGQSA-N 452.552 0.792 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783887535 ZOYJKIVVURLOAV-MGPUTAFESA-N 457.593 0.897 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783913615 VHVNTHUOVXMUEX-IWFBPKFRSA-N 458.515 0.535 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784478945 PZEKHFXOWUBLIP-BSZJXLGXSA-N 458.515 0.011 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(OC(C)C)c(C#N)c4)C3)C2)CC1 1785196385 OODNAIOMOAGNFE-SANMLTNESA-N 497.596 0.953 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1785370738 NZNBOMLNBVDEGK-IYZQMXKPSA-N 462.547 0.543 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1785578450 YTLNSGCZDDMIQF-SAHWJRBASA-N 462.547 0.259 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1785596750 WWUQVXLELFBLRD-DIWPJMFTSA-N 464.563 0.009 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786649167 YSVQQFLTMYBQRM-VJANTYMQSA-N 499.630 0.708 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)[C@H]2C1 1787421744 MEKJQYSJYJGGHV-DEPCRRQNSA-N 479.574 0.640 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)[C@H]2C1 1788080079 CLERWAORGYTZNI-LNMJFAINSA-N 494.552 0.737 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1788577713 ZOPPUKCLUUODGD-KFGODFMUSA-N 496.605 0.308 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C[C@@H]32)cc1 1789570611 ANFPNRUFVMQXGW-BXWFABGCSA-N 469.523 0.617 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790175076 GMMJXVUCMONGJA-FDPKGLCPSA-N 455.552 0.382 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790329707 PBSBBRYDZUASHY-CBVHJVASSA-N 450.499 0.649 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3=O)[C@H]2C1 1791185766 CEMKPQAVNQZVDP-ZJOUEHCJSA-N 454.527 0.929 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)cc1 1792237152 AVEDTCQBJDGFOB-BZSNNMDCSA-N 472.592 0.941 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncn4c2CNS(=O)(=O)c2ccccc2-4)C3)C1 1792440967 JZYMMXPJPCZEAZ-UPHUGPLXSA-N 497.577 0.834 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)cn1)C2 1792490316 VMTASLIXJDUINR-KUIZXIRVSA-N 463.332 0.906 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1792887585 JXTQMRDPFXWISN-WEPLXLJNSA-N 493.582 0.962 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 1794252506 ASNJZGDYHWVDMB-REPLKXPHSA-N 489.536 0.566 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccoc1I 1795940072 WFBZXESTNZYGIC-WDAIWFPHSA-N 458.208 0.175 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/N3CCCCC3)c21 1797741130 DJZSCEFASISMSP-YVNXZYICSA-N 454.531 0.954 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2)N1CCN(C)CC1 1799186278 YOGMZMKLRAYMGI-LOODEUFTSA-N 457.550 0.465 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1799232390 FDJRLEGRGPJVLN-KWXDATOUSA-N 494.589 0.336 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1799395955 LMZRMTSDGIEASZ-RPUYLAQPSA-N 483.566 0.146 30 20 JCED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1800108344 KKESVTBFCSVQJW-BTTYYORXSA-N 450.517 0.599 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]12C[C@H]1CCN2C(=O)OC(C)(C)C 1800769675 MZDHTMIHMPUCRG-ZRKSVZLYSA-N 488.585 0.834 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)cc(C#N)c1)C2 1801286445 DHCNYYZKHCNNJR-NPDDRXJXSA-N 464.526 0.540 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cncn1 1801356712 ZQZGIXPOQPTHCP-JCECYMMASA-N 462.551 0.898 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2)NC(=O)OC(C)(C)C 1801931672 XCCFXLUCGOWTHZ-VLVHOKLOSA-N 493.649 0.683 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)c(O)n1 1802104364 FOSGNQDYTDQNOZ-HBCWATKFSA-N 490.607 0.969 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC2(CCN(C(=O)C(C)(C)NCCC#N)CC2)C1 1805956782 GEPXHUKEIJVQNN-QGZVFWFLSA-N 455.625 0.827 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1810326309 AUNGDJROPSDGDT-RXVVDRJESA-N 478.486 0.511 30 20 JCED Cc1nn2cc(CC(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)nc2s1 1812873857 HGXFGIODQOQHNA-QRWLVFNGSA-N 452.496 0.831 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@@H]1c1cccnc1 1813334734 CDCWFXVOADMCRU-OJWCNPDFSA-N 466.542 0.596 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)NCCC#N)n[nH]2)CC1 1817317751 CQWCLKHLBYIFJQ-LJQANCHMSA-N 472.594 0.848 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1819450661 CALFZNRWRWCNFR-CLSWYFGXSA-N 461.479 0.483 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nccnc2C(N)=O)CC1 1823747805 KOIDUPKPFXEOJY-JTGQJZMRSA-N 454.531 0.667 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@H]3CCc4nc(NC(=O)CN(CCO)CCO)sc4C3)c2c1 1825329721 YOWSXCITGNYISL-AWEZNQCLSA-N 483.554 0.403 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1829352288 CJQJUPGSONLHFK-YADARESESA-N 471.558 0.607 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1830573721 NUCXFQJKMMFTOE-JKSBSHDWSA-N 455.552 0.541 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C(OC)OC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1831041282 UBLQYIZYDBWIOG-GAJHUEQPSA-N 483.562 0.627 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2)C1 1831386449 GPEDRTGKLAUMKF-FVJVTNMWSA-N 497.589 0.409 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1831425874 GHSYIVVBIHIEDL-LJBSYDGDSA-N 461.515 0.500 30 20 JCED COCCOCCOCCOCC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831673166 BZYZQEVODJFDFB-HXUWFJFHSA-N 468.547 0.390 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)CCO2 1832349633 GNSMOAADLBHPJN-NRFANRHFSA-N 462.890 0.435 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833652425 MTVRKCLWCGGEJE-CYUILNSLSA-N 481.557 0.809 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)c1ccc(OC)cc1)CCO2 1834860056 JVYWHWODDOSQCK-RMZPIOGSSA-N 499.564 0.973 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1835642499 PAMJDQAPAKGWJS-YTZAWJCFSA-N 498.621 0.258 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C[C@@H](F)C1 1836620921 FBRDSAGEBKZMBM-GSHUGGBRSA-N 468.526 0.952 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837152281 JIQQBQPBGYLDLH-MWTRTKDXSA-N 458.515 0.801 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1 1837279291 UNSSKKJXXJSESU-HJPURHCSSA-N 467.530 0.717 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1837397098 MOWIRMFKMORAPK-RDPSFJRHSA-N 494.610 0.880 30 20 JCED NC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1ccccc1 1837442394 WXNCMRGVKSIXTN-QPFFRQHJSA-N 457.575 0.657 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1837492727 QECUASCMQCVJAO-DEOSSOPVSA-N 472.542 0.434 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1)c1ccccc1 1837612831 NEHYPQGJDCFTDL-STWLZBDKSA-N 470.570 0.233 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)s1)CCO2 1838153725 ZVNTZSZKRVLVQD-ZRHASKPBSA-N 454.936 0.725 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1 1838759031 RHJVWQQEURKXMV-XMMPIXPASA-N 473.574 0.802 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1839072842 HZUQEPYRIAOFNC-JTSKRJEESA-N 455.552 0.947 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)N1CCN(C)CC1 1839187729 SNMDMABGYVEGED-CLOONOSVSA-N 487.576 0.332 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCN(CCC)CC3)cc1)CCO2 1839475768 AWHKKHHARXVGKC-RUZDIDTESA-N 454.571 0.922 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3n1CCN(C(=O)OC(C)(C)C)[C@H]3C)CCO2 1839594720 ZATUDDXJRYRFAB-XDHUDOTRSA-N 487.557 0.898 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839667698 CRPCQSBCSBLTDF-IUKKYPGJSA-N 475.546 0.457 30 20 JCED C[C@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839745293 LSWXRDKWHBQQQQ-UIOOFZCWSA-N 493.564 0.770 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839773812 OPVJVMCRBBVIFO-AMGJAONMSA-N 495.573 0.905 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1839807661 DPJWGINCCUNBJJ-QHCPKHFHSA-N 473.530 0.337 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)=NO2)C1 1840008505 JKUJWKZRRATLCF-QFIPXVFZSA-N 477.518 0.122 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1840108114 HWNGYKJPNPNOEJ-YJLYGGOZSA-N 496.605 0.779 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c(Cl)c1 1840263555 IXNKCXLGVVQORO-QFIPXVFZSA-N 472.885 0.207 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2cnnn2)CCO3)cc1C#N 1840480812 SRLMZRLYIFELMM-UZUQRXQVSA-N 483.529 0.663 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840646758 RQCBOUGREMKBHQ-HSZRJFAPSA-N 457.531 0.137 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1841431159 WXKOJRUJFXIADP-KJGSPOTJSA-N 468.551 0.995 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843131297 QZVGYKDLQUJIAS-OAHLLOKOSA-N 491.570 0.572 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2cnccn2)C1 1844333873 PWMSKLYNRZDECX-IRXDYDNUSA-N 484.557 0.715 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2nccn2)C1 1845266741 NGGMUIMTNJCGNG-INIZCTEOSA-N 491.549 0.287 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 10689736 VPSLYEYUQKMELC-HXUWFJFHSA-N 450.517 0.689 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 15527504 JHZYKMQMFQUKHM-UHFFFAOYSA-N 457.468 0.729 30 20 JCED CCCCN(C(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 31805735 QCBPSEZSVOUBQC-UHFFFAOYSA-N 472.502 0.428 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 503032692 GWEJQXBFWZWKHT-UHFFFAOYSA-N 477.543 0.318 30 20 JCED CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 514476727 HPFQELYXKLIAGR-UHFFFAOYSA-N 461.588 0.629 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cccc4c3OCO4)c2=O)cn1 608884207 BCJOVSHLRCKDKC-UHFFFAOYSA-N 462.487 0.813 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(N)=O 608911054 GTXCLBZXAONZSA-UHFFFAOYSA-N 450.467 0.272 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCNS(C)(=O)=O 608912431 NBWYEVPVWISLAD-UHFFFAOYSA-N 486.978 0.279 30 20 JCED N#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 609338695 GAVDXNMTNXGPRU-INIZCTEOSA-N 455.562 0.261 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(F)c2F)c1=O 609351235 WYEISOQSPPCUMK-UHFFFAOYSA-N 476.549 0.892 30 20 JCED CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 730783059 DJNZTZKDMWJJEF-GOSISDBHSA-N 477.587 0.337 30 20 JCED N#Cc1cccnc1NCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 731403800 WNWWFRJFJDERSX-UHFFFAOYSA-N 485.526 0.412 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 916533664 SQWSKGQLQGQWHO-XOBRGWDASA-N 452.533 0.653 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 920394743 CCERGPZYGRQIOV-UHFFFAOYSA-N 472.479 0.017 30 20 JCED C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1288599684 RUQDDJBHXAOVGZ-DLBZAZTESA-N 452.567 0.841 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1298188429 PCZIIVXXMGXHLR-MRXNPFEDSA-N 482.588 0.243 30 20 JCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)CC2=O)cc1 1318070026 XYLNFJPKPVDGTR-KRWDZBQOSA-N 453.524 0.907 30 20 JCED C[C@H](CC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1465000160 NNOACIDPDONHBJ-HUUCEWRRSA-N 455.540 0.998 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2CC(=O)NCC(F)(F)F)cc1 1505319665 GUPUGAHKQKKIHS-INIZCTEOSA-N 479.463 0.928 30 20 JCED Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)c(=O)n1C 1542399771 RBKGUHWJSMYPNJ-UHFFFAOYSA-N 497.581 0.866 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1547769153 SOQYITOTJVDKLP-HSZRJFAPSA-N 469.546 0.138 30 20 JCED N#Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CC(=O)NCC(F)F)cc1 1620350914 RSXRRCZWLRSZCE-UHFFFAOYSA-N 486.527 0.942 30 20 JCED Cn1c(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c(C#N)c(=O)n(C)c1=O 1642579118 MYSUKFCEKDDUBY-UHFFFAOYSA-N 452.298 0.990 30 20 JCED CCN(CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)S(C)(=O)=O 1695745152 IXQCKFHJDCWVSZ-SFHVURJKSA-N 461.596 0.527 30 20 JCED N#Cc1ccnc(N2CCN(c3nnc(-c4cnccn4)n3CC(=O)NCC(F)F)CC2)c1 1698489506 VXPFEOZLJSZBMW-UHFFFAOYSA-N 454.445 0.710 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1750060726 JFFSTGSCJKOXBZ-HZSPNIEDSA-N 467.518 0.747 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1768293634 LQSIAOAZCIJZBR-QGZVFWFLSA-N 466.589 0.769 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)C1 1778970764 DWWJTCPCNFPPOO-CYFREDJKSA-N 456.543 0.743 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1779319107 VFIBXFSCUSTQLE-JXFKEZNVSA-N 483.447 0.567 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2nccnc2C(N)=O)C3)c1 1780090364 IOJZGHOSFRMDHS-HOYKHHGWSA-N 478.509 0.897 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)Cc3cn4c(nc3=O)SCC4)C2)c1 1780544473 YTACEUBAAXHRQO-WZONZLPQSA-N 482.566 0.919 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)C(C)(C)S 1781049517 OVJADHPJCOWTQS-DUQZYUJVSA-N 486.635 0.141 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781297301 YBGYOQCKJLBAOD-JTSKRJEESA-N 462.551 0.968 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729232 AIVRILRPWDBQOZ-DEOSSOPVSA-N 454.575 0.495 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783556746 VJCZEIHNARHQQP-NPGKMWDHSA-N 475.542 0.797 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1783647376 VKPGWOVFPLANEO-OJZVVMIASA-N 499.564 0.627 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCO2)C1 1783732485 ZNCJYXBZSPEENS-UUOWRZLLSA-N 488.541 0.135 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1783897684 MCBIVJGVQCBCQO-VUEDXXQZSA-N 457.593 0.895 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2)c1ccc(O)cc1 1784018868 QKUVIXCKLRUHEL-GJZUVCINSA-N 468.598 0.967 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784388950 LJJMOJMGAFXSDE-CGBFIWBNSA-N 477.558 0.836 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2)NC(=O)OC(C)(C)C 1785302475 SPIWKLVQTQLMBW-NXHTTZLHSA-N 493.561 0.274 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)NC(=O)OC(C)(C)C 1785304492 HYDHOZBNKLGIHX-TXBYWVTISA-N 498.577 0.740 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1785308390 KEOJLYYNZCTEOX-DRSNIGMVSA-N 452.552 0.810 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)[C@H]3C2)c1 1788080207 MPGYWPFTSJMWLM-DOXZYTNZSA-N 486.492 0.678 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)N4CCOCC4)[C@H]3C2)c1 1788653953 GKMRBCLGGSPGAY-NZIBOHLBSA-N 456.543 0.558 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21)c1nn[nH]c1C(F)(F)F 1789358816 MJYOGQPWIXKLIO-FXQIFTODSA-N 491.320 0.772 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)n4ccnn4)[C@H]3C2)c(C#N)c1 1790641467 BGCABVLAEPQURF-OQRYQMPQSA-N 452.515 0.942 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)[C@H]1CCCS1(=O)=O 1790748252 WISVNTWBDUWVFD-OBEHHOPVSA-N 457.549 0.072 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1792266627 MIIGPGUJFRTBEP-CSNNDUIRSA-N 476.574 0.572 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795859543 JAAXXSGNGXFCTI-DFGXFYAUSA-N 463.539 0.122 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783751 GEPNFUFXKOYKED-NBMJBFSESA-N 465.547 0.118 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 1798692582 UTFSCNAXHXYVNH-NDLGOLERSA-N 487.557 0.707 30 20 JCED CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCc3cccc(C#N)c3)C4)CC2)CC1 1799190691 WWQUXHAUYBVZQQ-ACHVPNTGSA-N 465.598 0.860 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)ccc1I 1799517080 ZDGOTILHCDJKRY-YQYWCBKUSA-N 486.237 0.722 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1800723724 GCHJKRYYKFQLIC-XSDDWTICSA-N 462.547 0.906 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801035351 VOLWANAQLKWQOT-ZSBFGKGUSA-N 454.405 0.205 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2cncn2)C3)N(C(=O)OC(C)(C)C)C1 1801103188 IOJZNOJCMSZNTL-DMUMMCEESA-N 474.562 0.823 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)Cc4ccccc4C2=O)C3)CCC1 1801979352 UGXFTMRCCJAQSJ-OPMZPASUSA-N 464.522 0.885 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801990648 CSYLYONWHIIXSF-QKPAOTATSA-N 465.503 0.559 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2nc3ncccn3n2)[C@H]1c1cccnc1 1802479827 DLBFPMWBSLHCNZ-HTWXZYLJSA-N 460.498 0.697 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1802482745 OJACZKNXPSXLMP-BYGXPYSHSA-N 482.585 0.110 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806082500 HRTUQXQOSFSIJK-VDGAXYAQSA-N 466.542 0.914 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810225221 UQRVXOAQBUJJAB-UWVAXJGDSA-N 482.541 0.880 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1810279119 PAAUFVXKBGTTCJ-QKQINCMDSA-N 490.630 0.290 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1810285063 XGVBVSNKAZDDCC-LCHNKNJHSA-N 477.529 0.604 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810292595 ZXMYFBJLUBHRBT-ZLPRPQDGSA-N 458.563 0.210 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1811536939 YENKSQMSBGWNDW-KDOFPFPSSA-N 458.442 0.041 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812875127 RLOAKSRXFKGJFR-HRAATJIYSA-N 470.507 0.429 30 20 JCED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1819477556 GXVAGRUVWHFRDF-SBUZPKSBSA-N 464.446 0.554 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)C1 1822465685 WRSULUMPYBDWAP-QRQCRPRQSA-N 475.502 0.862 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828967367 FCEMTYXTVQZZIM-FYYLOGMGSA-N 461.603 0.955 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)cc1 1829635433 HPBJIFDSWSCCMU-JOCHJYFZSA-N 470.555 0.858 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1829692521 VEKRWWSXXQOVJF-IXFSTUDKSA-N 467.563 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1829769034 MCKXHHGNXCTWFN-WEHRJKGCSA-N 488.516 0.469 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4c(C)cc(C)nc34)C2)C1 1829771125 HBDGNIVJHSXBTC-UOUGDEPUSA-N 481.553 0.880 30 20 JCED Cn1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)n1 1830458836 JCTNGOOTVLRZGJ-XMMPIXPASA-N 451.527 0.923 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830575712 HYXVUSSZSNCKKE-XRCYNCOPSA-N 467.563 0.683 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccoc3C1)CCO2 1830923816 GWGQWXDBXAJUPG-FVGIDDJYSA-N 457.527 0.699 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(Cl)c(F)c1)CCO2 1831295293 LTLGYVFHUVIJKR-HXUWFJFHSA-N 454.838 0.402 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(F)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831391465 CBPQMVLKEZFXQK-DKLXNKCPSA-N 497.564 0.830 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)C2)C1 1831398449 BOJUMCNTPGADDL-SBUREZEXSA-N 474.514 0.769 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1831401720 FVHALVCCBYGECN-PETUGJSASA-N 485.581 0.117 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1831401751 DVEAAONOZBYUGT-DKZVUGQWSA-N 450.919 0.868 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1831604401 QDVLROLNJGTAEQ-XCLFUZPHSA-N 483.447 0.554 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1832000827 YWDDWKDCOFMLQP-UZUQRXQVSA-N 495.573 0.865 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832109536 OCHDEHGWMLHSPI-JOCHJYFZSA-N 491.570 0.608 30 20 JCED Cc1c(C(=O)N2CCC(N3CCC(NC(=O)C#CC4CC4)CC3)CC2)cn2[nH]cnc(=O)c12 1833428870 QJTQFHWOLZEWMG-UHFFFAOYSA-N 450.543 0.930 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833618078 TXDIHYGFSNZPOT-MBSDFSHPSA-N 455.515 0.928 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2)c1cccs1 1833830679 HSQJQPNNUWSQIS-LWQICCLCSA-N 458.496 0.753 30 20 JCED COCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1834974587 HYUKGIFOOZHEJE-HSZRJFAPSA-N 480.562 0.630 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835498922 USZRITIMJDVBJK-DEOSSOPVSA-N 483.525 0.847 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccn1 1835676822 BQSQETMAJANPCE-HSZRJFAPSA-N 472.546 0.392 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1cc(=O)nc2cccnn12 1836098414 NOQNTLUDRYEFFQ-OVVQPSECSA-N 494.600 0.746 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)c4cccc(C#N)c4)CC3)CC2)CC1 1836259376 USDLIVSYSIGNKY-UHFFFAOYSA-N 480.613 0.908 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)CC1 1836764940 VRYKPTVRMUEJMH-AREMUKBSSA-N 497.596 0.111 30 20 JCED O=C1Cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)ccc2N1 1836789596 MHTNHLGXSZRGGI-SKLAUCLBSA-N 469.542 0.723 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529844 ZQLUMKJLNYLAHU-SZILZNOISA-N 479.534 0.129 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCCn1cccc1)CCO2 1837617815 QEFYYVFCTWEHHE-HMLKYZKVSA-N 458.559 0.973 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1838101298 GKYBQCVAWNMLBS-UHFFFAOYSA-N 499.630 0.920 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838358140 PGYIPIUOYPGHFX-RHVVXLNXSA-N 484.550 0.579 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)nc1 1838906578 QYZZZPMLJLRZBM-QHCPKHFHSA-N 484.534 0.741 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCN(C)C2)CCO3)c(C#N)c1 1839067541 OVNFPOYMGPPMEE-NLFFAJNJSA-N 470.570 0.908 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(C#N)cc5)C4)C3)CC2)CC1 1839107351 IBAIUTOHZLWOJB-DEOSSOPVSA-N 467.570 0.408 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1839176407 MZIWPNTVXQDYAZ-YKSBVNFPSA-N 460.527 0.556 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488166 BMQAUHAUUIKDKU-NPMXOYFQSA-N 466.498 0.195 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)C2)C1 1839805245 FTYJCOTWLWRCCA-UZUQRXQVSA-N 463.531 0.245 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839880734 ZMVQXDGLXAQBSJ-JLCFBVMHSA-N 454.487 0.029 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049855 PHECTKZNAIFYDM-IARPCUQLSA-N 451.520 0.539 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1840179418 MIGMPRIDKZTVBC-FEXYSFOSSA-N 480.539 0.559 30 20 JCED O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccccc1 1840799973 ZOIOPCHLXPOWRO-JOWQQVNMSA-N 485.585 0.735 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c1=O 1840818788 XHDWTEHRAOGHDE-XMMPIXPASA-N 466.494 0.406 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)CCCC#C[Si](C)(C)C)C3)n(C)c1=O 1841984906 YWDPBNAVAPPLMW-UHFFFAOYSA-N 498.660 0.688 30 20 JCED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2)NC(=O)OC(C)(C)C 1846932527 CTIZTNVRZNRGDM-PKOBYXMFSA-N 466.579 0.700 30 20 JCED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 1848343067 JYLGGMYFRORNLA-ROUUACIJSA-N 454.531 0.982 30 20 JCED C=CCn1c(SCC(=O)NC(=O)NC)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 21226362 VJDJSBBJWCOSOT-UHFFFAOYSA-N 480.572 0.700 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3csc([N+](=O)[O-])c3)c2=O)CC1 516371574 BRWRVEGTULHPAC-UHFFFAOYSA-N 489.579 0.508 30 20 JCED CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 522530476 GJONOGXXKMRWCF-UHFFFAOYSA-N 491.573 0.827 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cscn3)c2=O)cc1F 523298319 BXKXNWMVDQHPPB-UHFFFAOYSA-N 472.523 0.865 30 20 JCED CNCCCc1[nH]nc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)c1C#N 598540967 UTCKPPATMVHTFH-UHFFFAOYSA-N 492.558 0.724 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCc1cccnc1 609038059 CKTCWJHIRHPUGO-UHFFFAOYSA-N 452.511 0.952 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(=O)N(C)C 726576722 BCLROEPBINMINQ-AWEZNQCLSA-N 475.592 0.520 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1CCOC 728557460 MYGKELABSZBVOL-UHFFFAOYSA-N 471.514 0.147 30 20 JCED CCS(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 729557980 FBYYKHVFHWHMQI-JZJYNLBNSA-N 457.578 0.999 30 20 JCED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)cn1 729672803 JESCBNISUQPHBJ-UHFFFAOYSA-N 491.639 0.468 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CC2)o1 915382245 MWAKDZZADUNKAF-UHFFFAOYSA-N 492.492 0.118 30 20 JCED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 916949477 CQRGLRAYCWPXRU-GOSISDBHSA-N 456.480 0.777 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 917355929 PWPJPCSQOQYLPW-UHFFFAOYSA-N 499.637 0.112 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc2c(c1)OCCO2 917787954 PCYPMKJVMDWXST-UHFFFAOYSA-N 465.535 0.871 30 20 JCED CC(C)NC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918278914 ITICBDPPGYTXDV-ULJHMMPZSA-N 451.549 0.859 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 923869074 OCGSNTGVPXYWIF-CQSZACIVSA-N 459.484 0.843 30 20 JCED CC[C@H](C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)NCCN1CCOCC1 1125005862 UFQVOWUAEHQGIE-LRXVAGHRSA-N 455.559 0.890 30 20 JCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286538586 QQQAEDVYXJQTEI-ZFWWWQNUSA-N 466.384 0.927 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1286863808 VSRLRDHKTPOILK-QKLQHJQFSA-N 483.570 0.311 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)Cc1ccccc1 1286969948 STKHTCUOKPWIFR-PKOBYXMFSA-N 489.602 0.865 30 20 JCED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1300824182 PXSNBWPICRFGOS-UHFFFAOYSA-N 454.373 0.681 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1360240294 FNCNVLSMYLAXDX-UXHICEINSA-N 485.637 0.536 30 20 JCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4S(N)(=O)=O)CC3)CC2=O)cc1 1454203626 FBEPPOJWZXAOCL-KRWDZBQOSA-N 453.524 0.907 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1502309969 PZJCQGPCVJKSPJ-HBFSDRIKSA-N 493.682 0.091 30 20 JCED CO[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1554722069 YZMWWCSHNCQUGH-KNQAVFIVSA-N 490.586 0.925 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1618847539 XQKRISNODUUWMZ-UHFFFAOYSA-N 489.602 0.973 30 20 JCED N#Cc1cccc([C@@H](O)CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 1642207372 OAIWGGMRFGHPPC-NRFANRHFSA-N 457.556 0.830 30 20 JCED N#Cc1c(Br)cccc1S(=O)(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1660767311 QOYNFPYTZZZQOI-SNVBAGLBSA-N 450.336 0.292 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCCO 1692662880 JCGHOZYDKIVOEX-SQNIBIBYSA-N 469.612 0.196 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C)CCOCC1 1692797043 ULKKWEUVXLIZRY-WBVHZDCISA-N 451.597 0.882 30 20 JCED CS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1712701034 YSZZDBPSRZFIKR-MRXNPFEDSA-N 461.523 0.611 30 20 JCED CCN1CC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1728573753 XQIWUQPCNDYFFR-QZTJIDSGSA-N 451.597 0.693 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1729691351 XZMCNCISLDAVAX-AEFFLSMTSA-N 474.543 0.115 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CCO1 1741111942 TZIIQLGKQYNTDP-FPYOTAMTSA-N 472.571 0.981 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccnc(C)n2)CC1 1749269274 OUOSJTAWLWGECU-INIZCTEOSA-N 482.998 0.789 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1751222077 OSLWKMXPXNSLML-RBZFPXEDSA-N 461.523 0.664 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)cc1 1778383266 JUJYPLOPQWSPOU-XMMPIXPASA-N 462.510 0.840 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1781269815 PDIOHCVXXUALRN-JOCHJYFZSA-N 476.555 0.231 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C3)C2)c(C#N)c1 1781860410 HVYRMQVGMPXATC-GBXCKJPGSA-N 488.541 0.782 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccc(O)cc1 1784117808 NCFGGUDUMGKKTI-UQBPGWFLSA-N 465.506 0.644 30 20 JCED COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1784261051 ZLDCBDIWHNJXRU-HSZRJFAPSA-N 493.561 0.713 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@H]4NC(=O)NC4=O)[C@H]3C2)c1Cl 1785151740 DQZCCFIMYFNFMW-HNKHHVNMSA-N 459.890 0.403 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1785515868 JUIJXQIJKHHRSP-SBUREZEXSA-N 489.529 0.786 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1785574344 HMBZMTZDUXAOGS-KSFYIVLOSA-N 461.519 0.667 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785610090 RGOXKOUENBAUBL-MFEFFIJZSA-N 467.563 0.519 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#Cc4ccccc4)[C@H]3C2)no1 1786562671 ZLFDPFXBZSFVAI-ZJOUEHCJSA-N 450.495 0.744 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1786859532 NAIYKVNTKICCGY-WDSOQIARSA-N 497.556 0.554 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(NC(C)=O)c3)[C@H]2C1 1787771677 SIUIXIOCNSHFEI-PXYFQHJDSA-N 455.515 0.492 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1788171743 LFVDHEBETUDWTP-ATIWLJMLSA-N 481.521 0.649 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCN(C)CC4)[C@H]3C2)c1 1788193348 DRDATYPDOJNGEC-NYVOZVTQSA-N 455.559 0.408 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788629803 BTHFZRKHKJGLOL-XWSJACJDSA-N 454.589 0.345 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c4c(nn3C)CCN(C(=O)OC(C)(C)C)C4)C[C@@H]21 1790793953 PHPOPZFQTCAKNY-BXWFABGCSA-N 471.558 0.940 30 20 JCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ncn5nc(N6CCOCC6)ccc45)C[C@@H]32)CCC1 1792138683 XHKGKWNFXMFUDO-BJLQDIEVSA-N 493.568 0.853 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792636099 FJQKMZTVXAVSDI-JUKXBMAYSA-N 476.574 0.885 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1793487673 CWAYNKIXYWNTFR-QROFKTNTSA-N 457.593 0.919 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783167 GWNYELLTIHONFY-RCLSDMTESA-N 492.617 0.517 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)c1Cl 1798592412 NKDDSCPYLDBHQB-KPEUIFRASA-N 451.932 0.992 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799075087 XHZDLZCUNSCANK-NYCLONFESA-N 463.560 0.282 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1799233082 HXNUKKVQCQQVMG-MDMSPXHWSA-N 478.546 0.381 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1799323098 YVADAQGEVIAHPR-YYAJDYIMSA-N 475.546 0.833 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@H](N)C(N)=O)C2 1800022352 ZWZBEWKFMQVZLP-PJVZLEMVSA-N 477.606 0.914 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CNC(N)=O)C3)CC1 1800030965 XMTRVHMQHWCNSH-MUJYYYPQSA-N 462.551 0.834 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O)NC(=O)OC(C)(C)C 1800536622 CJBAHVPVBKRNBT-UVNCQSPWSA-N 466.579 0.960 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1802124417 AHGLPIDHAPJCHE-RPUYLAQPSA-N 450.536 0.004 30 20 JCED Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n(-c2cccc(=O)n2C)n1 1807742615 LWWWUALYDMYJMQ-HOYKHHGWSA-N 488.504 0.682 30 20 JCED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1811367418 MHBXPGKVTYGYRD-VWNXMTODSA-N 465.554 0.754 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)CNC(=N)N)[C@H]1c1cccnc1 1814207394 IOHJYPNMGDKADW-AOIWGVFYSA-N 471.562 0.487 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822202357 QPDCLCLHMSUXBD-UKRRQHHQSA-N 463.491 0.766 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1828514082 HSSLJQSIGFQQLV-ZYLNGJIFSA-N 483.569 0.711 30 20 JCED CC(=O)N(C)CCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330705 ORCYWEHALIZJNH-RUZDIDTESA-N 498.536 0.395 30 20 JCED CC[C@@H](NC)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332499 OGHUGLMERYEBFL-NTKDMRAZSA-N 470.526 0.525 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O)CCO2 1829691873 PFTGJVPUBYKWHJ-ZQMYSKGWSA-N 465.547 0.084 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C)cn3)C2)C1 1829764301 JNWWAVNMVMIIEY-QZOBCFMQSA-N 456.543 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1829770352 KWUNCVCPPXYYKO-IYZQMXKPSA-N 471.489 0.402 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c(O)cccc34)C2)C1 1829771023 BEMYMAPJZIPZHM-KBDOHKNDSA-N 480.521 0.869 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)c1ccccc1 1830408419 GCIPODVUSLJVPA-WZONZLPQSA-N 456.499 0.844 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1830573858 RLOVVZBPNZGSDA-MGPUTAFESA-N 477.505 0.540 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cc(C)n(C)n4)CCO3)C2)c(C#N)c1 1830954172 TWMJIXZBNJKBTD-VWLOTQADSA-N 481.553 0.850 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831398422 AWROIDGUSPMBGM-HJPURHCSSA-N 451.483 0.543 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1831399744 ZVRRREPTPDOEOV-YUZACMFVSA-N 459.499 0.251 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831437810 GRRGWANVHPEVKN-HSZRJFAPSA-N 475.567 0.853 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831483863 QHMRBQCIYIUFLI-CKJXQJPGSA-N 475.608 0.283 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1831997604 DKFTVUNVYNGWEU-YADARESESA-N 490.557 0.859 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1 1831997743 FRAUTAOYXYDCLH-VGSWGCGISA-N 454.568 0.474 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1831998065 CECKDAHLFSGUHX-XRCYNCOPSA-N 467.563 0.683 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)Cc5ncccn5)CCO4)C3)c2c1 1833169761 YKEYRFWKLVJIHO-QHCPKHFHSA-N 461.482 0.537 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833615738 SIZWEQUGWBVGEM-CYFREDJKSA-N 472.542 0.027 30 20 JCED COCCOCC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834565662 HKLPQDMNRAEDAT-MWLMUJSGSA-N 454.568 0.750 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(C(=O)OCC)ncn4c3)CCO2)C1 1836254001 PJVPVVARKPAOMN-BVZFJXPGSA-N 498.536 0.619 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836362054 HNCHHJPBXIGHBH-SFTDATJTSA-N 455.559 0.231 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1837395380 YQVRCVYIAUDMOI-HTAPYJJXSA-N 451.495 0.872 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1837401027 SKJXHPDQRJPAJH-HXOBKFHXSA-N 463.531 0.742 30 20 JCED CN(CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(=O)c1ccccc1 1837486597 KMSRSVBDHUXNQU-MHZLTWQESA-N 497.592 0.914 30 20 JCED Cc1cccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837524945 JQCODSIYQJTGGR-LPEYTCNWSA-N 460.531 0.918 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837822710 JYHWPCRVLOHWRT-MHECFPHRSA-N 488.541 0.774 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cncnc2C)CCO3)c(C#N)c1 1838094465 DVQAAWWXGVHTJW-XMMPIXPASA-N 465.510 0.978 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c1Cl 1838596135 PWXXIOVRWWBIHV-JOCHJYFZSA-N 460.918 0.904 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)C3)C2)c1 1838739044 JJXZQDPYPISZDN-OAQYLSRUSA-N 455.427 0.884 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1839174912 CZXSDFNAHQIZMN-JOCHJYFZSA-N 457.487 0.309 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)[C@H]1SC(=N)NC1=O 1839362022 UITYBBFIHQXKQO-TUVUNVSASA-N 485.566 0.625 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424295 ZNZZLUQJIMBUGQ-LAUBAEHRSA-N 480.905 0.346 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(OCC)c1O)CCO2 1839425493 ODWJEAYUQSKTJY-HMLKYZKVSA-N 473.526 0.719 30 20 JCED CS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2 1839443237 UZLGKOQPJUXLFO-LJQANCHMSA-N 489.472 0.692 30 20 JCED C[C@@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)C(F)(F)F 1839487431 IFLWWTIKCPSZQF-WOJBJXKFSA-N 481.431 0.818 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn4c2OCCC4)CCO3)c(C#N)c1 1839518138 IBGAGFLOAPGHJU-VWLOTQADSA-N 495.536 0.859 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)c(C#N)c1 1839652050 LUJAUUUPIQMZHT-RUZDIDTESA-N 495.536 0.694 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(I)c3)C2)C1 1839809520 UMRGZKNAUZQNMG-SFHVURJKSA-N 454.264 0.994 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c(C(F)(F)F)n1 1839869260 GGQZYLXNXQLPSM-RBZFPXEDSA-N 481.431 0.178 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1839890373 WRLFVHHZKVZIIJ-OAQYLSRUSA-N 467.517 1.000 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1840162367 VWQUSOLSSFJTKL-ZUOKHONESA-N 463.516 0.067 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1)c1ccc(O)cc1 1840222086 CIRBTJBJEMPVLO-YPCDYVTLSA-N 483.565 0.872 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c1 1840264777 PXBUGTMRMNMKHB-XDHUDOTRSA-N 466.494 0.309 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cnccn1)CCO2 1840486633 OINKDFDNHYNTSQ-ABHSDVPYSA-N 459.503 0.475 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)CCO2 1840955411 OBKNBAMBSXANSJ-KSEXMQBYSA-N 492.573 0.359 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cncn2)C1 1843081020 QOHMNFVOQNEKCF-MRXNPFEDSA-N 491.549 0.287 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C 1847262920 ONVDXLINUCSWEM-WVTGGUBDSA-N 492.573 0.893 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 10792461 BFAOFMBJEFBFPI-UHFFFAOYSA-N 478.527 0.840 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 550238983 MGNUFHMICRMZIZ-UHFFFAOYSA-N 473.536 0.241 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 558923376 ZRWWANLBCLPBIB-UHFFFAOYSA-N 484.484 0.542 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CCNS(C)(=O)=O 608913080 REGFOMPYUCUILS-UHFFFAOYSA-N 462.597 0.051 30 20 JCED Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 725823753 BFDULAKVUPMVIZ-UHFFFAOYSA-N 484.581 0.360 30 20 JCED CC(C)[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCCC1=O 726039926 QHRDRWQKVCZECY-NRFANRHFSA-N 476.555 0.581 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)CC2)o1 726065747 VHBDOIDYJBYGHW-UHFFFAOYSA-N 467.891 0.661 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CC1 728534428 KLIFIQYLJUXILO-UHFFFAOYSA-N 474.517 0.999 30 20 JCED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 750962348 OLPRVVJYMLNRDG-QHCPKHFHSA-N 499.524 0.997 30 20 JCED C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCC[C@@H](C(N)=O)C1 857763596 PRUYLWXLMGUFRR-MAUKXSAKSA-N 476.555 0.615 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 917034737 WZJWJDQRMIJCAZ-DOTOQJQBSA-N 460.512 0.228 30 20 JCED COCCN1C[C@@H](C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 919073962 IRTNUALJJJWCPX-HNNXBMFYSA-N 471.470 0.493 30 20 JCED CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1287141809 ZXTDGZQKTIJCRY-UHFFFAOYSA-N 482.589 0.711 30 20 JCED CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C 1296168553 XTKCNWKKLNTIBE-HTAPYJJXSA-N 474.587 0.809 30 20 JCED C[C@@H](CC(=O)NC1(CNC(=O)OC(C)(C)C)COC1)/N=C1/NS(=O)(=O)c2ccccc21 1301162155 VGAIVEBTLGQDLE-ZDUSSCGKSA-N 452.533 0.914 30 20 JCED CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCN(C)CC1 1505187848 OHXSDZMQRJJEEA-AEFFLSMTSA-N 496.707 0.892 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1519202521 LNCNLTSAPKXMJM-UHFFFAOYSA-N 461.592 0.913 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CCO1 1618694958 ZJZZDKNVRUTFFN-MJGOQNOKSA-N 467.530 0.263 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1 1711049753 VSSJHJFTEPGHLQ-UHFFFAOYSA-N 472.571 0.937 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CCO1 1722843786 QZAIKOPIMGIPGV-GOSISDBHSA-N 458.544 0.735 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1728652291 VFSDGQWWNNNXFG-DOTOQJQBSA-N 463.608 0.519 30 20 JCED C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1741136227 LQUKCDHIIHACIN-QGZVFWFLSA-N 480.573 0.606 30 20 JCED CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C1CC1 1768081361 WBGNYAIOEAMVPB-MAUKXSAKSA-N 474.591 0.907 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C3)c(C(F)(F)F)n1 1777755617 MVPVFNBXTQHKPL-WHSLLNHNSA-N 496.490 0.692 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778268575 YFNSJMSEKGMOQA-UKDVSSAZSA-N 491.633 0.533 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1778288560 AOCJTLBYZPZWOM-HXOBKFHXSA-N 463.531 0.942 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@H]3CCCCO3)C2)CC1 1779423645 VUGFSKXFPGAEDF-QODNIARESA-N 493.605 0.193 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780249468 AHXHTSFRWAGXIA-OYHNWAKOSA-N 459.503 0.130 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1780696779 FZAFYBZSJOUPCC-QFIPXVFZSA-N 460.556 0.673 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)COCCO)CCO2)C1 1781310163 CKNZOOSPAZCDEA-YKSBVNFPSA-N 475.542 0.696 30 20 JCED COc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c([N+](=O)[O-])cc1O 1782013579 XVDXKCFTPBXMSE-DYESRHJHSA-N 461.427 0.525 30 20 JCED CC(=O)N[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)c1ccc(F)cc1 1782013833 PKGCGJCCKZUZCW-RZFNWQHOSA-N 459.474 0.605 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782057723 ZTDLFTPEZQWVSN-OFNKIYASSA-N 457.483 0.805 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](S)C(C)C)C2 1782467276 FRUVJZLGEVUJMU-JPAWQOSXSA-N 465.620 0.925 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1783500908 UGXOQVOOULUGGN-TTYPXMTQSA-N 461.559 0.968 30 20 JCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1783646661 MCHBBENLHWLPQE-LEDOBFOHSA-N 456.499 0.502 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1783882957 ANRQFAIXVQZEFY-SBUREZEXSA-N 493.561 0.926 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)NCc3ccccc3)[C@H]2C1 1784053155 GEUDZVASUPNGDJ-WVMBBRPCSA-N 453.539 0.877 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]3C2)c(C#N)c1 1784518607 AFUOITQXLGDKSL-OQRYQMPQSA-N 477.583 0.770 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(OC(C)C)c(C#N)c4)C3)C2)CC1 1785196382 OODNAIOMOAGNFE-AREMUKBSSA-N 497.596 0.953 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1785573389 VVKWWLNRJAASFO-JPYJTQIMSA-N 457.531 0.766 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(C(F)(F)F)n1 1787198266 TVRFVCKPLSVZII-CQDKDKBSSA-N 450.373 0.653 30 20 JCED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5ccc(C#N)cc45)[C@H]3C2)CC1 1790327735 ABMMLXVJHXNRBG-VCOUNFBDSA-N 479.585 0.665 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078223 PMXLXVXUGXSWRI-XSLAGTTESA-N 463.531 0.914 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)[C@H]2C1 1791102297 MCSJUEKKEIZHKA-FJIDUMEYSA-N 465.547 0.836 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791266423 XGTVFCUBCZVFCN-UVPYHEFZSA-N 473.592 0.741 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1792258473 GLDASJNLANFDSB-FJIDUMEYSA-N 485.603 0.317 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1)C(C)(C)S 1792583067 LVAZNKFAKJXAMM-DMHIMHRUSA-N 498.646 0.704 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)CC 1793255150 PZHIPMDSUIVBOG-QLCXLMDBSA-N 464.563 0.407 30 20 JCED COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](S)C(C)C 1793387558 GLTDTZVXRKXQTD-PIKOESSRSA-N 462.609 0.227 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795086282 ZSUWZKMAQMHZGD-RCJHGTSTSA-N 465.551 0.251 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598472 XWDLRNAEUNBAGY-FCGDIQPGSA-N 493.605 0.494 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2ccco2)c1 1795846869 LLJRBBLSZJIMNG-UPHUGPLXSA-N 452.467 0.793 30 20 JCED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796446403 TZUPEOVEGWWJBW-NTGVRKBTSA-N 450.586 0.561 30 20 JCED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCCNC3=O)cc1 1797323376 BDZMDWQZWORATD-RMFSNUHRSA-N 462.510 0.600 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798690974 ALOUVNRTKINMEF-QXGSTGNESA-N 471.514 0.668 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1799303665 LNSQGQBCHWZKPA-FAQVEIGNSA-N 470.526 0.439 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC 1800836474 DCMYKAZEVKPVJZ-FSNPWBFUSA-N 463.531 0.255 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1 1801349031 BUFMZICXYUVQNX-AGYLXNLDSA-N 487.557 0.914 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 1804296472 MIGDHJYAJOOPTL-HUJJFYJPSA-N 492.573 0.939 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1813335121 BKYCHHBYDGWZQZ-FCEUIQTBSA-N 494.600 0.840 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@@H](N)C(N)=O)n[nH]1 1817363750 XTJNQWSGUAMTQZ-VYDXJSESSA-N 489.577 0.911 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1819900220 HQMLYGRXSWPGFD-UPBHESOESA-N 464.504 0.136 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1 1824927453 FQKQMXQVBPBSGC-SWLSCSKDSA-N 453.590 0.914 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCN2C(=O)OCc1ccccc1 1828753642 CIYCAZULRXGAKL-VWLOTQADSA-N 490.520 0.325 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1829267110 RJCQMSQOWLRUAM-WMZHIEFXSA-N 472.498 0.136 30 20 JCED CN(C)CCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332463 MGJVPOHXTCCFMI-DEOSSOPVSA-N 470.526 0.478 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)cc1 1829632717 ZJUTYYNNLHZQLV-OZXSUGGESA-N 477.565 0.912 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cnccc4nc3C)C2)C1 1829770315 IWIJZTKDSSLJNT-OVMSLRDFSA-N 479.537 0.867 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1829771187 KZYMIZBXLISARV-WRAFWBCBSA-N 452.511 0.795 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(=O)OC(C)(C)C)C2)C1 1829773383 IFBLUUXTQZPDRP-SULQKFSGSA-N 494.589 0.605 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907197 AGZNDJJRRGEQAG-DHIUTWEWSA-N 459.499 0.173 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CN(C(=O)c3ccccc3OC)C1)CCO2 1830428936 NURNUDYOVFRPLY-DEOSSOPVSA-N 457.527 0.800 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)no1 1830460493 PANBSQSMBZMJEY-RUZDIDTESA-N 495.536 0.674 30 20 JCED O=C(O)c1cnncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468019 CSXFEBPZXNRAOF-HSZRJFAPSA-N 484.896 0.950 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)CCO2 1830780058 YEINQDXJRKVRLZ-WMZHIEFXSA-N 477.583 0.532 30 20 JCED CN(CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/O[C@H]2CCCCO2)CC1)C(=O)C(=O)O 1831166047 XZBZVAAOGVNRIG-QGGRXXHISA-N 466.535 0.678 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1831213709 UIIVQTRGGPOUSQ-BVAGGSTKSA-N 467.566 0.757 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C2)C1 1831386606 AXVQSIZKHVJCOT-LVXARBLLSA-N 484.597 0.547 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=Cc4ccccc4NC(=O)C3)C2)C1 1831396507 NIUIYTMFSBKVPO-CJAUYULYSA-N 467.522 0.907 30 20 JCED COCCOCCOCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831498797 QRELRGIJOJSMMS-IRLDBZIGSA-N 492.635 0.093 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)[C@@H](C)CC)CCO2 1831522485 BSAZKCFGSOMAQM-LYXWCMDISA-N 481.590 0.766 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832047217 QZPWRYGEDLWSFT-UUOWRZLLSA-N 493.605 0.734 30 20 JCED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832468263 HNEBDBNGNSPBHX-GJZUVCINSA-N 483.613 0.781 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1cccs1)CCO2 1833027787 SLNMXBBUNGIDOU-JOCHJYFZSA-N 465.572 0.917 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)CC)CC2)CC1 1833453699 WCBALPSGZHEELK-UHFFFAOYSA-N 457.593 0.502 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4cnnn4)C3)C2)c(O)n1 1833699595 FBYUVSDSAQLHJF-AOMKIAJQSA-N 471.518 0.224 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)CCO3)C2)C1 1833724004 BYZBKBQXEDLYPO-RUZDIDTESA-N 483.569 0.444 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)COCCOC)CCO2)C1)NC(=O)OC(C)(C)C 1835247688 WPOORKGRJIUOHX-DVECYGJZSA-N 499.605 0.965 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CC1 1835402460 HOSAJNLNAYXRRG-RUZDIDTESA-N 487.576 0.334 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835769080 SBKDJGNMNKPDOO-HSCPNVOASA-N 482.578 0.703 30 20 JCED Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)no1 1835774137 DSFQHRFACLVSTC-YZSQISJMSA-N 487.605 0.756 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccn4)CCO3)C2)c(C(F)(F)F)n1 1836165920 MVDKQLKXJBOZER-FQEVSTJZSA-N 478.431 0.939 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1836473911 PCUWQWKIQKNVEK-PNLZDCPESA-N 486.566 0.129 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1836859139 QXNJSCLITFYNPW-SFHVURJKSA-N 483.631 0.695 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)CC1 1837053636 JEZCCADAWGURCF-QGZVFWFLSA-N 459.543 0.864 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837079232 JCZLKJTWQKAUJO-HKOYGPOVSA-N 497.662 0.187 30 20 JCED Nc1n[nH]c(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)n1 1837272107 NDJXIXGHUMLSQG-GUWAZMKPSA-N 474.543 0.277 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1837302234 XSLTVOWKAQCHPT-UZUQRXQVSA-N 457.531 0.465 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837474823 BKCZKBBDPISZML-KOSHJBKYSA-N 464.526 0.848 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837526338 CUIVUWJRJJETQT-GSYWIZTCSA-N 452.533 0.671 30 20 JCED CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)C1 1837531101 CSYBISUDUOHLFL-DMYAPDPUSA-N 452.552 0.314 30 20 JCED CC(C)n1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cc1C(=O)O 1837561611 XJQBMQZXIDQBKY-AVWDHSPOSA-N 487.513 0.944 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1838529123 MYVFLWPMSRUTMN-RUZDIDTESA-N 464.522 0.960 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccncn4)C3)C2)c(C#N)c1 1839132451 HDWQANHZSVFCCK-QHCPKHFHSA-N 451.483 0.670 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1839175914 LLRYXYPZODWCLF-HSZRJFAPSA-N 459.499 0.365 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)no1 1839363053 FYQLQCYGXGQICP-XMMPIXPASA-N 481.509 0.549 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)c1 1839420050 JWMRBGGRVVYHNB-QHCPKHFHSA-N 482.472 0.021 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1839889327 ORICDSGDVBPIBA-NRFANRHFSA-N 468.501 0.955 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840016724 VKTVYPSSYRJBGK-JOFJTHJASA-N 494.548 0.211 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049856 PHECTKZNAIFYDM-OXBQNYSKSA-N 451.520 0.539 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1840088093 LLPRCTWGXIYZPP-HJZDHAKKSA-N 480.562 0.214 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCCCC2=O)CCO3)cc1 1840103651 LNHBUVGZCMGEHM-DEOSSOPVSA-N 454.527 0.570 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840360004 VOFZISVJXDBAJS-JPYJTQIMSA-N 490.561 0.041 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1)NC(=O)OC(C)(C)C 1840795887 ICHMVIBFCWDZRV-UZUQRXQVSA-N 482.578 0.438 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840895488 VVSKNZUXTMSDKK-YJBOKZPZSA-N 461.631 0.258 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1840909635 YHXPSBIANZDIKT-CJFMBICVSA-N 492.617 0.845 30 20 JCED O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300076 KJTPZUOTMOJJCD-YSNFCQRUSA-N 451.505 0.184 30 20 JCED Cn1c(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c(C#N)c(=O)n(C)c1=O 29532278 ODOLOSPWIFPTHW-UHFFFAOYSA-N 458.327 0.773 30 20 JCED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(C)n2)c1=O 514913535 VZJAPUCJXFZTCD-UHFFFAOYSA-N 450.611 0.790 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 588327554 BUGBPLQCLYDOKW-UHFFFAOYSA-N 476.515 0.400 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1 608828519 ZSQXVJGABYIHIW-UHFFFAOYSA-N 490.541 0.368 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)C1=O 726043041 JDOLHXJZCVQDBN-UHFFFAOYSA-N 472.498 0.250 30 20 JCED CCS(=O)(=O)N(C)CCCN1C(=O)[C@H](CC(=O)NC)S/C1=N/CCc1ccccn1 726115777 SBBHJAIEZMEKOX-QKDOTCOFSA-N 455.606 0.732 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3cnn(C)c3)c2=O)cc1 839265785 HYQOHOKEGLPHNN-HNNXBMFYSA-N 467.551 0.685 30 20 JCED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn(C)c3)c2=O)c1 913151628 REQAUSLUAHFZRK-UHFFFAOYSA-N 462.535 0.716 30 20 JCED CC(=NN=C1NS(=O)(=O)c2ccccc21)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 914600339 RPCUINOITJAKPP-UHFFFAOYSA-N 450.498 0.902 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)NC4(CCCCC4)C3=O)CC2)o1 915370990 YZVAEKJPAOBHON-UHFFFAOYSA-N 458.475 0.301 30 20 JCED CN(CC(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)S(=O)(=O)c1cccnc1 917011287 WGDSYSBZWCPICP-IBGZPJMESA-N 486.510 0.668 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1 917213050 XFGVLMRFTPHRSC-UHFFFAOYSA-N 466.563 0.945 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Br)c3c(c2)OCO3)c1=O 917356131 GNZUZSCAXWGUTK-UHFFFAOYSA-N 492.351 0.829 30 20 JCED C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)N1CCSCC1 1286971143 UCWICPZFTKKAKD-OAHLLOKOSA-N 455.610 0.375 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1295364412 ZAJNLSUXRKOWSW-JFIYKMOQSA-N 452.629 0.795 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CN2CCCC2=O)n1CCC(C)(C)O 1494138394 YJATWHKGSZPXCQ-MRXNPFEDSA-N 453.551 0.938 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1517626949 OQIXOTYRYMECRJ-UHFFFAOYSA-N 454.516 0.022 30 20 JCED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1519530419 XPBXQKPIYWDCLI-UHFFFAOYSA-N 460.516 0.852 30 20 JCED N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)CCO1 1555992351 OCYBMLZTICIQEA-AWEZNQCLSA-N 467.864 0.972 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1593887383 ZGMAXPDGERPIEN-ZDUSSCGKSA-N 452.002 0.793 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCN2CCOC2=O)cc1 1620352598 YVIJLPCIQVCZDS-UHFFFAOYSA-N 460.516 0.806 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1631649043 IYBHBDKWZKVDDN-QGZVFWFLSA-N 455.540 0.690 30 20 JCED CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1696475369 MEFMHXQOUJXSKC-AWEZNQCLSA-N 454.578 0.831 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cnccn1 1705687934 LRHDPWGOAKIQAY-OAHLLOKOSA-N 486.396 0.989 30 20 JCED N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1731187076 XCXYIPHWSXVMRH-YJBOKZPZSA-N 482.360 0.986 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1741675288 VOFSQXLVLBKFLZ-KRWDZBQOSA-N 472.575 0.444 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(N2CCOCC2)CCSC1 1741920034 WXLIAZBNNIZOQP-OXQOHEQNSA-N 483.664 0.836 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1748298461 LRNGTPREYXPNKT-HNNXBMFYSA-N 485.364 0.898 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C1 1778077305 JEQPODSOLDIFTA-FICUIRKSSA-N 450.561 0.341 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)NC(=O)OCC)C3)C2)N(C(=O)OC(C)(C)C)C1 1778789237 APXLCIPYGYRIHM-HKARXFIJSA-N 496.561 0.446 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1)NC(=O)OC(C)(C)C 1778793881 UIMMSXTYVWTLLX-UQNRQAKVSA-N 498.577 0.740 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C3)C2)c(O)n1 1779072599 GJSCDPWBPDEWES-GBXCKJPGSA-N 489.525 0.844 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)ON=C(C)C)C2 1779405028 PSALVCAXZKFPTO-DJZBOODTSA-N 469.535 0.796 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1781290926 KFEGAUPMBZKRCG-SAHWJRBASA-N 464.563 0.954 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C(F)(F)C1 1781380151 OAROGMRKNBAVFJ-BTYIYWSLSA-N 485.484 0.797 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)ccc1Br 1781904898 UJJGKCBRQBWERD-FQEVSTJZSA-N 490.314 0.316 30 20 JCED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CS(=O)(=O)N2CCCC2)C3)CCC1 1783123175 GDTDEMYWKRHYFH-DYESRHJHSA-N 452.577 0.620 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1784042120 AIHFJZLAFOQXTD-HKARXFIJSA-N 462.547 0.259 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785328318 AMGVTLDCIIRXMI-YEWFCNIMSA-N 486.573 0.254 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785505864 NNXRAOXXQGVIBM-WDJACRKASA-N 457.483 0.505 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1785572236 KPRJFASAPPUYQM-ZHRRBRCNSA-N 464.519 0.185 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1)NC(=O)OC(C)(C)C 1786894662 WPPFXCYRLICBRA-FKSLSLAPSA-N 495.621 0.418 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1)c1ccc(O)cc1 1786900135 YKHSFNXSORYFMD-FQFSJJOFSA-N 471.554 0.932 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1)C(F)(F)F 1787152467 RWGRABGEYPCTQY-MJVIPROJSA-N 462.450 0.550 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788109765 LIOHVAHMQAAVGE-BZSNNMDCSA-N 459.634 0.557 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1788470902 AZZNUXMHNTYRDZ-BCSOYYNPSA-N 474.514 0.154 30 20 JCED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1)C(=O)O 1790328195 REFMYWGEHVWWQU-IKICRFKJSA-N 454.487 0.091 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1793084782 OIIUPWYTTXSIJI-ZRXLOQNZSA-N 498.577 0.381 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCS(=O)(=O)CC2)c(Cl)c1 1793838622 HNBLOPKHBFVZEZ-CWPLJXCYSA-N 480.974 0.145 30 20 JCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)cc1 1795726741 DIWKJWOIRODBES-UPHUGPLXSA-N 461.482 0.125 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795894122 LYSKKTZHSGGGHP-PZPPHJHLSA-N 460.535 0.337 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1797815194 LFEGAXKYTFXZRP-RFTGSIGZSA-N 461.519 0.657 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 1798694298 YZKOSTMTZSNCOE-LMCLKVLCSA-N 473.530 0.317 30 20 JCED O=C(Cc1cn2c(nc1=O)SCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1799073643 QIMVGBJHBBVTNH-FTLRFMLOSA-N 491.570 0.010 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C(=O)O)ncn2)C3)ccc1F 1799324452 HJUNLMYUYAFGTD-YVWYUNDQSA-N 453.430 0.631 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1799685644 IVZUEKSIKXJWMF-CPPCWWPSSA-N 474.514 0.875 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1800710443 KJJBTOVHYRYPGT-SFNKJDCFSA-N 462.547 0.763 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCO[C@H]12 1800768374 HXOPHHZFUZOMQO-LWRBVXSGSA-N 491.585 0.639 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)C=CC2=O)N(C(=O)OC(C)(C)C)C1 1801121007 QBUFHBRGHYSVFC-DLRJPAPCSA-N 488.541 0.067 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(C)C)c(C#N)c1 1801846709 SMOMRACTNMCJDM-KBMWQNTOSA-N 492.598 0.876 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccc(N2C(=O)C=CC2=O)cc1 1801868955 OZHFEICEKTVFAI-AZMGCGHJSA-N 496.520 0.848 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801993007 CPMYXLCGBFEODZ-KMIUFNCMSA-N 475.542 0.985 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1802124722 HYEGLVWLNPLXTE-AJYBTWMASA-N 480.631 0.541 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1802125591 JBHKJDNCKACQQR-FQLMCAECSA-N 476.490 0.438 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1807025379 AMPXTZXRADRRSW-PITDJSHHSA-N 466.479 0.284 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)[C@@H]2c2cccnc2)c(C#N)c1 1808179346 NDLJOBGEZKHVNO-UYLMIGBBSA-N 463.538 0.933 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1812876402 KNOIOQPXPNZSPB-MBSDFSHPSA-N 469.519 0.958 30 20 JCED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1825104978 HBLQYKMTBSUCFJ-QGZVFWFLSA-N 456.547 0.630 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)C(C)(C)O 1825675689 XJZOHLQCUKIOEB-MEDUHNTESA-N 480.543 0.807 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)CNC(N)=O)sc2C1 1828329034 FVBFKEZQTAJTGM-YPMHNXCESA-N 464.548 0.640 30 20 JCED CN[C@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1)C(=O)O 1828988966 ACEYEDQLIKPUJF-UQNRQAKVSA-N 492.598 0.820 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ncccn3)C2)C1 1829332221 FKUQEKSWYFMJSI-DEOSSOPVSA-N 477.477 0.630 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCN2C(=O)OCc1ccccc1 1829391337 JEXJIYHAZQOWJT-WZONZLPQSA-N 450.499 0.924 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829928054 NYMXQPSPYCECCR-GLDPYIMESA-N 479.574 0.929 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1830056527 DJSXCYUSONCPPI-HSZRJFAPSA-N 457.531 0.538 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c1 1830458314 ABDGFOMQYAXKMQ-XMMPIXPASA-N 454.527 0.570 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1830470626 ZRXFVAUBVLQBAI-HSZRJFAPSA-N 470.913 0.405 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1831330714 XWOXYWQZVJCBTQ-PNCHPQGNSA-N 492.598 0.711 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832249427 ZKARRCLWHWBJJO-IBGZPJMESA-N 472.391 0.850 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1832462321 IHLNYBSZHNLKGR-OAQYLSRUSA-N 460.593 0.432 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)c1ccc[nH]1)CCO2 1832872861 IFTPDKVRKTVICA-QHCPKHFHSA-N 462.547 0.574 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)CC2)CC1 1833075156 RXPYLJZEOFCVCA-RQFBSITCSA-N 457.619 0.757 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CC2)CC1 1833212494 ICLLUWMFWMCIDM-NMMYMHLASA-N 498.624 0.776 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833617262 GUBCBQGUTXDPER-IERDGZPVSA-N 450.561 0.307 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1)N1CCN(C)CC1 1834716784 XVZNYGAXKBBSDH-FQEVSTJZSA-N 475.682 0.476 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767140 MIYQIUWSGUZZHB-XXBNENTESA-N 488.545 0.614 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)OC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1834857037 MHFLLQUSKWLMCL-UUOWRZLLSA-N 495.573 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834985299 HKXLJQLCXJHBNU-ARJAWSKDSA-N 457.531 0.536 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCC)CCO2)C1 1834989975 BTPSZXBEKNDVHS-MQNAVGNWSA-N 467.563 0.949 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1835678127 ZFTZXTVGDKAZIC-QHCPKHFHSA-N 454.531 0.915 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835715819 RCASPVCLVZIUGB-NRFANRHFSA-N 486.617 0.775 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2ccccc2=O)CCO3)c(C#N)c1 1835998322 UWPRYBOBRLPJEQ-VWLOTQADSA-N 480.521 0.428 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H]3CNc4ccccc4O3)CCO2)C1 1837351629 SMLFJQPUBAVBIK-UQBPGWFLSA-N 485.585 0.988 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837443753 IPBFZLVQTQTBQJ-NHMXVPMISA-N 474.562 0.467 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837492556 MILASHSAISCBSI-DEOSSOPVSA-N 467.526 0.727 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837524414 AORSYGYETXFTAL-ROZQTZPBSA-N 462.503 0.689 30 20 JCED Nc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)s1 1837526065 BLHWKIJKBCMKRZ-ASWIKEOKSA-N 453.521 0.324 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1837529685 BNZFCFUWCIOLCX-DXLWNWQMSA-N 477.518 0.265 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)c1 1838907400 QLDNYMBHJHKPAC-QHCPKHFHSA-N 451.483 0.921 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907525 XIGXLXIKLGLEIU-BXKMTCNYSA-N 478.509 0.237 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)CCO2)C1 1839036104 QPYRISMNVIGGRJ-QZTZHPFYSA-N 475.517 0.439 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1cccc(Br)c1)CCO2 1839054613 HLQGMQFWQWNRIA-PERKRYKHSA-N 495.370 0.977 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5ncccc5n4)C3)C2)c(C#N)c1 1839132719 NHPPGTPIMBHNKO-VWLOTQADSA-N 490.520 0.922 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839136120 IFNDIZSPLFTQBJ-GAJHUEQPSA-N 496.561 0.593 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1ccnn1 1839188273 VLANUTDWMDZCMB-OPAMFIHVSA-N 456.478 0.549 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CCOC1 1839192296 UXKOCSFSZOGRKX-DHIUTWEWSA-N 480.562 0.676 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839240711 QDJLGLVGBKTLOX-XMMPIXPASA-N 458.559 0.724 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839361073 NYDNROPGCCFESX-WEHRJKGCSA-N 452.511 0.681 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840018430 KGKQLBAAUURYJI-KYCQWFEFSA-N 491.585 0.738 30 20 JCED CC(C)C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N(C)C(=O)OC(C)(C)C 1840045000 LYXCWPNSBFABKC-MHECFPHRSA-N 495.573 0.812 30 20 JCED CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045139 SBOKSBNVDRBWMU-ZHRRBRCNSA-N 467.519 0.224 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCCOCCOCc1ccccc1)CCO2 1840082561 BKXHIAPHUWUQMB-XMMPIXPASA-N 475.542 0.606 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1840174027 DKGJVHHIPKNYGU-INIZCTEOSA-N 460.272 0.660 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)n1cncn1 1840418001 MANOWOYMRUKWNM-YVLOFKIZSA-N 459.528 0.796 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1)NC(=O)OC(C)(C)C 1840796864 RNCVXXWCDBIDGH-DVECYGJZSA-N 480.606 0.864 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1840842808 BVSWRWAFRPUGGO-QGZVFWFLSA-N 472.283 0.498 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1840912465 JITIFEMUBXCHRN-GAZXMLTASA-N 477.558 0.891 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OCC)C1 1844160980 MPKHRMDYEFIIHH-ZCCHDVMBSA-N 466.535 0.724 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1844387699 WOPRNUAGPCNTLF-HZPDHXFCSA-N 486.635 0.943 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1847443542 RICNNAGDGTWLTI-FUENEBENSA-N 469.604 0.888 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1C(N)=O 1848300432 FPJPCIKPQZIOAD-IKGGRYGDSA-N 455.515 0.913 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(SC)cc2)c1=O 489177676 ISSJQXUSRYSWPV-UHFFFAOYSA-N 458.609 0.603 30 20 JCED Cc1ccc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1S(=O)(=O)NCC#N 517483996 GONMOIBOOUGZQU-UHFFFAOYSA-N 454.516 0.436 30 20 JCED Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccco3)c2=O)c1 520989242 YTCBRHDWHZZLCW-UHFFFAOYSA-N 482.537 0.891 30 20 JCED Cn1cc(C#N)c(=O)n(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1=O 590709299 FFYZSEHEVIHMAT-UHFFFAOYSA-N 457.512 0.183 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 608828487 XMKJIZLMTNLVDL-UHFFFAOYSA-N 452.492 0.165 30 20 JCED CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CC2CCN(S(C)(=O)=O)CC2)C1=O 726115343 PUQBDMDLIAPJPF-HLGQQVFSSA-N 467.617 0.732 30 20 JCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(=O)N(C)C)c1=O 918729995 YWCALPIJCRVASA-UHFFFAOYSA-N 490.969 0.022 30 20 JCED CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)cc2S1(=O)=O 919584170 WEZSGBLSRBCZAY-UHFFFAOYSA-N 487.494 0.525 30 20 JCED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 1314923569 MEXMLOKYIGCJFL-WMZHIEFXSA-N 487.630 0.991 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)N(C)C 1541942136 XWHMTNFQNDZYMX-HOTGVXAUSA-N 461.596 0.432 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1596675656 WBVZCVYUZNXUQW-REWPJTCUSA-N 469.546 0.137 30 20 JCED N#Cc1c(NC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)sc2c1CCCCC2 1657880058 JYZIWJXQBBZKSB-IAGOWNOFSA-N 452.602 0.603 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCC[C@@H]1C 1706887869 SHOOHZRDULKXAH-BQFCYCMXSA-N 450.613 0.549 30 20 JCED CC(C)C(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1741269600 TUDGENYMGJSHTG-UHFFFAOYSA-N 489.602 0.973 30 20 JCED COCCN1C[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C)(C#N)CC2)CC1=O 1749863929 GVDSOMADWHVGTG-IAGOWNOFSA-N 464.592 0.805 30 20 JCED CC(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750982826 KQQLERYEWCAUPX-SFHVURJKSA-N 486.602 0.688 30 20 JCED CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1OC 1770298711 ZKPGEYKBVANQNM-HDICACEKSA-N 461.544 0.606 30 20 JCED CO[C@@H]1COCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1770671426 XOWCCXAJKJRMTR-OKZBNKHCSA-N 482.607 0.793 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1778096613 CDZDNVPNMQUTPM-VRJXGNDESA-N 497.537 0.441 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CC1 1778117484 MAPOBUPIWPXPDC-HSZRJFAPSA-N 490.582 0.439 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1779420661 ZGUUHILVWITFSH-UIBAODPGSA-N 478.506 0.834 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780602240 UVGXDFBALAIZGK-MHECFPHRSA-N 485.541 0.770 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1781051388 SZJUQQGEHKBRRA-RSZAZKGPSA-N 469.579 0.917 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781337122 OUGOFIDRCVBBHR-DRSNIGMVSA-N 453.536 0.130 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1781862316 ZKUHXAIKMLBFKY-FDDCHVKYSA-N 484.513 0.721 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782010204 BRACBQHFLDUPOX-XMSQKQJNSA-N 462.524 0.235 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2[C@@H]3C[C@H](O)[C@H](C3)N2C(=O)OC(C)(C)C)C1 1782020529 RABXGFLFAZGYJR-XYEVPUEMSA-N 461.559 0.892 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)cc(C(F)(F)F)c1 1782036479 YFHIYJVMIIMXIG-NRFANRHFSA-N 476.411 0.946 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783189761 BRNFMHHSRVEPGA-VGSWGCGISA-N 450.536 0.259 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C[C@@H]21 1783528621 YBSOTUFNGTUXOV-MSDQSQJYSA-N 457.527 0.567 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)C2)C1 1783566628 XKLYUCWYTHAENR-QHCPKHFHSA-N 461.515 0.551 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)C1 1783768424 MDQUVCAOFCESPX-XCGNWRKASA-N 484.550 0.350 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c(O)n1 1783924210 SWSDEYFWGCCCTR-PKTZIBPZSA-N 461.515 0.965 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1 1786893793 NHIQDNHTTAMKQY-JCECYMMASA-N 482.578 0.498 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1787124863 NLRCFBNQTTUEOS-HVTWWXFQSA-N 461.559 0.750 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1787125192 OBHRCZFZBRTZHA-RABCQHRBSA-N 481.590 0.928 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603556 MCRFQQVPDJIDFU-HUOSVMEWSA-N 470.574 0.651 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1789838748 PUNHRUZTANTVGU-VJANTYMQSA-N 499.630 0.708 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21)c1ccc(O)cc1 1791336218 SUNWLAPBWZKGFD-WGWBVWISSA-N 485.581 0.520 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)c(F)c3)[C@H]2C1 1792072679 WHEXEQPKQTWAEC-XPYUAMARSA-N 466.531 0.861 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793162312 CWUMDLPIDPDPOV-KYHPRHEASA-N 466.535 0.498 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 1793603905 IWHCBETXALSBBG-UJWQCDCRSA-N 465.547 0.250 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1noc(C)n1 1794056115 OSHZOEDRXDRCDP-RCJHGTSTSA-N 463.535 0.980 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C)NC(=O)OC(C)(C)C 1794572927 WSVBFEGZXQUQTQ-KYHPRHEASA-N 462.551 0.878 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O)C(C)(C)S 1795452568 MGMULNMFJMGKCH-WTLGNFPFSA-N 498.646 0.800 30 20 JCED Cn1c(=O)c2c(CC(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3(C#N)CC3)csc2n(C)c1=O 1795849517 PTKGQMRRAFQNMR-QDMKHBRRSA-N 455.540 0.783 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)C1 1797120695 UDEZANMDEXBQSU-ADHGMGHFSA-N 464.563 0.744 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1797714519 WIBOCOKJZUQQND-RZFLPCETSA-N 469.579 0.425 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1798471585 PJFQZOVQVQWCLE-CVGSJKEPSA-N 453.492 0.648 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1799093660 NFPBOFSTWOLMOF-FJIDUMEYSA-N 497.577 0.954 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)ccn2C)C3)c(C#N)c1 1799238556 JWUPDMFOOCJRGG-FEJSZKPUSA-N 450.495 0.711 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1800911503 REMQQCQLIUTQRJ-AXVVYFOYSA-N 465.547 0.836 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1801161740 KPDOSIRRSXHPFF-MESABJQISA-N 491.589 0.974 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCN1CCOC1=O)CCN2C(=O)OCc1ccccc1 1829101587 TVCOGFUYHCEITL-DEOSSOPVSA-N 468.510 0.914 30 20 JCED COC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330694 OKYSURUSEHESBS-XMMPIXPASA-N 471.510 0.952 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cc1 1830218622 YEMJXEVKAUBKSZ-BVAGGSTKSA-N 486.565 0.884 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1830385199 HDWCIMAZUHBVFJ-QDOLPFHLSA-N 486.591 0.018 30 20 JCED CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1830526463 VNAJQNZAWJXLIA-HOYKHHGWSA-N 494.589 0.755 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1Cl 1831019678 KTOOEQUOWMGZAY-OAQYLSRUSA-N 462.890 0.734 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)CCO2)C1 1832100260 ULFDPWFJDXJSHC-IQGLISFBSA-N 490.553 0.750 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1832111775 PIFYELLOQHSOCB-HRAATJIYSA-N 487.619 0.523 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C=C[C@H](NC(=O)OC(C)(C)C)C3)CCO2)C1 1832544277 CYGHIVCGUNHCLI-ZDQHKECQSA-N 491.585 0.951 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833270905 SAXUCHOJSFKMBF-NTKDMRAZSA-N 490.557 0.859 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cocn3)CCO2)C1 1834513066 IXHBMMMPYYZFEJ-AOMKIAJQSA-N 462.503 0.661 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)O[C@H]2C1 1834767425 PZEGRQBSCSXTGU-ZHSNQQFMSA-N 478.546 0.381 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5cc([N+](=O)[O-])ccc5[nH]4)C3)C2)CC1 1835345768 AOGVHFDRUKWAJL-OAQYLSRUSA-N 454.443 0.845 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835351073 JIHGAEFYCJQMBP-JPYJTQIMSA-N 495.598 0.890 30 20 JCED Cc1c(Br)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)nn1C 1835358623 HONONCMZUDYRPB-GOSISDBHSA-N 454.325 0.865 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCSC(=N)N)CCO3)c1 1835644031 PBLABNGDSICWND-QFIPXVFZSA-N 459.572 0.964 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)[S@](=O)c1ccccc1 1835682436 IVCIOTGYOIMGRI-NUYXFIGUSA-N 490.626 0.921 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1 1835769036 LXZZSPUWOJMECI-ZRZWOPFXSA-N 479.578 0.929 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(F)cc(F)c1)CCO2 1836116307 YWHYELPSZYDQGA-GYLQWBMOSA-N 463.481 0.822 30 20 JCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1836862325 SYIQIWGTKXDUBO-UHFFFAOYSA-N 450.536 0.520 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837206724 PNOAMXMNCIOUST-ABGJEJFVSA-N 481.527 0.008 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSCc3[nH]cnc3C)CCO2)C1 1837327949 BHJQUPMOUDISKN-UWJYYQICSA-N 450.561 0.446 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837481247 FBWYDRJBRVBYQA-CJFCWMOSSA-N 459.551 0.205 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1837493393 CSPKSYBWJRFLOL-NRFANRHFSA-N 463.560 0.052 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525231 KWUKRIVWOJZVNJ-QJNITLFRSA-N 468.536 0.179 30 20 JCED O=C(C/N=C/c1ccco1)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835480 BBEVQSPYINARBC-CIAFOILYSA-N 470.463 0.422 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)cncc3F)CCO2)C1 1838165000 SMDLPKJOLQYEKI-NRFANRHFSA-N 451.474 0.712 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049127 KTZPXFMVGOEVMG-HSZRJFAPSA-N 471.514 0.238 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1839103700 VHJPJSOXEXDBSS-YADARESESA-N 455.559 0.264 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1839130791 UQBPLRUWQDFKTD-IECBHUPTSA-N 480.606 0.734 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1839174946 GBJFWQCWFJMJPP-ODUAORJMSA-N 483.521 0.988 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185758 KFHXUJLNULJGJS-ZHRRBRCNSA-N 496.561 0.024 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1ccccc1=O 1839488354 MVHACCLFPOMLSL-CRICUBBOSA-N 490.520 0.927 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839539215 FYXYHIIVMYPOLU-COQMUBBDSA-N 471.514 0.933 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1839874356 CGTUUZGWBFAPPA-YTZAWJCFSA-N 494.589 0.438 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839889562 AYCXQUFOTWJOSL-HRAATJIYSA-N 491.532 0.930 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)CCO2 1840073161 JOGYNGQSDQIAOR-KJOQGJGQSA-N 499.564 0.628 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]34COC[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1840155839 DMOLSYZRRTUMKC-DODAUVCRSA-N 499.630 0.645 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C(=O)N(C)C)c1)CCO2 1840789621 RPHVAHCFIPZDDG-VWLOTQADSA-N 487.553 0.968 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840841866 ZMWNZRRLHCGDDL-IUKKYPGJSA-N 465.547 0.227 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1840842329 BKUSKELPGZKXJW-DHLKQENFSA-N 455.555 0.757 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840904930 WAYDXFLXVNHKHS-CPJSRVTESA-N 473.570 0.754 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840945156 IVQDKJKINLCWRE-JTSKRJEESA-N 485.553 0.993 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C1 1841429304 VOOWBPHYOSCCBM-XITLMJRVSA-N 450.536 0.324 30 20 JCED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)ccc1Br 1841894749 JETXWROIHLYZIW-UHFFFAOYSA-N 495.399 0.868 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)c2C1 1843991965 OFCPOVBLYYVEMI-UHFFFAOYSA-N 457.487 0.539 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845067031 BQUIFSFNYPVWES-ACRUOGEOSA-N 497.596 0.920 30 20 JCED N#Cc1c(N)n[nH]c1CCCNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 511110447 UFJFRSTUIOTIKQ-UHFFFAOYSA-N 451.484 0.778 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(OC)nc1 524233493 DEAAWQGKQHLPCC-UHFFFAOYSA-N 494.529 0.687 30 20 JCED CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(-c2ccc(OC)nc2)c1=O 524275050 IDARYMGECJAFLO-UHFFFAOYSA-N 480.546 0.967 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1-c1ccc(OC)nc1 524276093 STKWILLEYKIMHL-UHFFFAOYSA-N 484.509 0.716 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(F)cc1F 603800964 OVQWJDRHMFLJDG-UHFFFAOYSA-N 486.500 0.722 30 20 JCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 604533341 AMIRPJZBSUOLEM-IBGZPJMESA-N 462.554 0.936 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccs3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 608828490 XNXPQTGNAWAVCZ-UHFFFAOYSA-N 493.614 0.727 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC2)o1 727192703 RNWGMPGUTJTGJU-QUCCMNQESA-N 497.508 0.819 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccs1 727815042 UDSXTZVOYZKEJY-AWEZNQCLSA-N 457.581 0.602 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCS(C)(=O)=O 729671436 MPQINAKENCMNLR-UHFFFAOYSA-N 485.534 0.585 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(OC)c1 839303933 UWAMFNGSQUBOOA-UHFFFAOYSA-N 467.551 0.687 30 20 JCED C=CCn1c(S)nc2cc(C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)ccc2c1=O 916661610 BKPGYKKJBHGGFU-UHFFFAOYSA-N 455.540 0.778 30 20 JCED C[C@H]1CN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1512519788 ITZCMHKBRMMZCT-VVLHAWIVSA-N 455.585 0.116 30 20 JCED N#Cc1ccc(N2CCC(NC(=O)N3CCN(S(=O)(=O)Cc4ccon4)CC3)CC2)nc1 1678472757 VBLPAUAPURHMHT-UHFFFAOYSA-N 459.532 0.767 30 20 JCED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1698298938 WPMDFBKJFGCCEO-AEFFLSMTSA-N 478.600 0.722 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1698315688 DULSHABDFXHISF-IBGZPJMESA-N 460.560 0.998 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCN(CCN(C)C)CC1 1723935381 OZSNUNBKPVGQHR-JXFKEZNVSA-N 470.619 0.604 30 20 JCED CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1747418271 WXFTUBOBHLKEFV-GOSISDBHSA-N 496.615 0.554 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1749831120 WHKZXDODKMYOTG-HZPDHXFCSA-N 459.594 0.514 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778938866 BNDNIGWBEZLDDS-MWTRTKDXSA-N 475.546 0.389 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1779060753 KDFZOEDZNOUFBR-XMMPIXPASA-N 451.527 0.960 30 20 JCED Cn1c(=O)n(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c2ccccc21 1779065483 TZBJSYCIADJSRY-AREMUKBSSA-N 480.565 0.869 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1)NC(=O)OC(C)(C)C 1779097906 ACIMSSHQLJVFJH-NRYAXDJKSA-N 496.605 0.326 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1779102410 HJLKFVATIAXHGG-JHPLOVCFSA-N 461.519 0.898 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)Cc2ccccc2NC3=O)C1 1780001104 CIBHXVUKMZLDPK-CJFMBICVSA-N 491.504 0.713 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1 1780168034 CLTGBMNPPXZFKS-HSZRJFAPSA-N 452.467 0.325 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1780172665 VSLJLWWJAFWZML-QFIPXVFZSA-N 453.455 0.585 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1781089077 XLLGNFDITVYACA-CPJSRVTESA-N 453.587 0.957 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1781148532 BLHOVARFXPXURD-WCJKSRRJSA-N 486.635 0.896 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1781271919 RXJQGLGDYYMPQK-DNQXCXABSA-N 495.573 0.698 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)C1 1781574801 USYVDNQRAXKSEL-OKHDYOJBSA-N 469.538 0.224 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C3)C2)c1 1781860378 HNUQRALUOQWGAU-MBSDFSHPSA-N 474.514 0.853 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781903270 UENZAXPBFIMJOY-JXFKEZNVSA-N 495.330 0.829 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1782152131 PNXNOODRGTVVAA-JOCHJYFZSA-N 480.562 0.955 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786386 CTPCRRXLKWROLC-IQTGRTGDSA-N 457.443 0.299 30 20 JCED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1783114901 STKRUJVOTBQHDJ-MPWIWIEXSA-N 464.588 0.209 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783164987 IUOIQHMOKJGSJM-SAHWJRBASA-N 464.563 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C[C@@H]21 1783535531 MQACKWKRQKNYKY-AKSSPNHOSA-N 476.574 0.882 30 20 JCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1)C(F)(F)F 1783685704 FYXZADCVXFIWOG-IBGZPJMESA-N 468.469 0.631 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1783847882 MPEWVVIVJUQXBB-AMGKQAFBSA-N 499.612 0.427 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1783883826 LPPUDJJDCVOUFP-QQMNAOGKSA-N 497.593 0.217 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN)C[C@@H]21 1784269769 FWWPQOTUBVZJEW-BURNTYAHSA-N 485.585 0.932 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC(N)=O)C[C@@H]21 1784786550 ZPZXFVSTDJHSLR-AVEIZBFRSA-N 481.594 0.882 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4C(=O)C=CC4=O)[C@H]3C2)c1 1784802167 LPIIEMLFYZONII-ACRUOGEOSA-N 464.522 0.786 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1785598547 UEMIRRZCCNBQDW-KBJGYGKASA-N 466.535 0.642 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)[C@H]2C1 1786369124 LJQAEUSKZHHVMH-UIFYRBHJSA-N 462.547 0.762 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1786860440 AUWMNTSNABXSIP-KKUMJFAQSA-N 467.617 0.108 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1788639676 RNSVVGIPENAFCP-BVPXEZJJSA-N 497.508 0.523 30 20 JCED COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)n1 1788659000 FLZARDDIDAQBJD-HMNATIFRSA-N 463.535 0.652 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1789934069 KGVPWJMNOFNEES-DKIMBUIQSA-N 492.573 0.954 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5nc[nH]c5[N+](=O)[O-])C[C@@H]43)c2c1 1790327143 TVZNEZDBLAHLKH-NOLJZWGESA-N 464.442 0.973 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)C[C@@H]21 1791278042 IOFRZSCXQXBHNS-JLCRNFDHSA-N 478.590 0.914 30 20 JCED O=C(CNC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791311506 PGTVMPNOHOGMAO-IWZBEBKWSA-N 464.441 0.174 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Cn3cncn3)C[C@@H]21 1792257653 ZWKMGCAZYSAISR-CXQPBAHBSA-N 488.589 0.811 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1792271631 OQDPWXYNZNLAFC-XSLAGTTESA-N 462.547 0.148 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793220484 YNNDORHPACVHET-OPVJXMOQSA-N 495.621 0.789 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1793355882 SLFVRSACANTFDT-UGNRZPKXSA-N 484.557 0.360 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 1794352193 XIHKUMIXJBXQSS-UPHUGPLXSA-N 484.557 0.370 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCN(C)CC2)C3)c(O)n1 1794491084 SAZKVOLKNKVJGO-OPMZPASUSA-N 457.575 0.356 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1797587859 PVEYYVPOUUQXAC-KPEUIFRASA-N 495.330 0.588 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C2 1799232458 LCJAFKZWVBXOHC-XIKSMUEASA-N 478.590 0.797 30 20 JCED C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1799287095 FMXDYKQISXFETO-FJIDUMEYSA-N 477.562 0.251 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2 1799322018 YGLAZBUKYXPNNF-SFNKJDCFSA-N 497.662 0.920 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)C2)ccc1Br 1800526314 QCJWCSYUZXXSCA-ZXFNITATSA-N 461.316 0.660 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F)C2 1800778601 JPNFESXDPIVFRW-CWPLJXCYSA-N 481.427 0.255 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)C1 1801049851 HBJOAERXBUCULR-IPPNXFFKSA-N 462.547 0.642 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C(C)C)n1)C2 1802127760 ROHDPIXQGUECOB-MHORFTMASA-N 474.562 0.979 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(N)=O)NC(=O)OC(C)(C)C 1802165689 RNRZEPDUBSJDEA-BASYENTBSA-N 453.540 0.104 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C2(N3CCN(C)CC3)CC2)[C@H]1c1cccnc1 1807927780 SGMZDKFYUBCBJS-JXKKUSOBSA-N 480.613 0.726 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCCNC3=O)[C@@H]1c1cccnc1 1809680398 YWEGJZOZHUWRAR-KGPYNAKISA-N 491.552 0.590 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CNC(=O)c2cc(C)on2)[C@H]1c1cccnc1 1810375609 YKABFJODQAVCML-NBBDWSPISA-N 480.525 0.672 30 20 JCED C=CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CC2 1826059452 HUBKZOYJRCXZNZ-FPMFFAJLSA-N 463.585 0.811 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1829769989 ARZFLKCDZRDGIT-YLNCNTMDSA-N 453.499 0.491 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1830214897 WNMPPRDXFUWANU-YKSBVNFPSA-N 474.558 0.467 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1830568927 OJNLHXOXMQDQRU-WZONZLPQSA-N 485.578 0.311 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832729506 GKDCUNDPIVDTJZ-HXUWFJFHSA-N 452.458 0.479 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc(C(F)(F)F)n1)CCO2 1832945825 AZXUXNHLXPMOOX-DYRFGFBLSA-N 496.486 0.958 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3cnccn3)CC2)CC1 1833076268 OCUMLWBTZJDPGY-XNYOYJNRSA-N 452.559 0.920 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)c(=O)[nH]c1C 1833383531 CETGGEPFYDDECV-RUZDIDTESA-N 479.537 0.961 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833400523 YJVLEPBUPKYOGM-IIBYNOLFSA-N 451.545 0.767 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c(Cl)c1 1833475198 KMSUAVKUHIJPKK-QFIPXVFZSA-N 472.885 0.994 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)nc1 1833598295 ITAQQAXYDYYSCV-DEOSSOPVSA-N 483.546 0.607 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c(O)n1 1833699630 GMFWLZRKDBLTOM-DEOSSOPVSA-N 483.525 0.233 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)NC(=O)OCC)C3)C2)c(O)n1 1833699982 KDYICSVUMMKXET-AUSIDOKSSA-N 492.529 0.040 30 20 JCED CC(C)(C)OC(=O)N[C@H](C[C@H]1CCOC1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834760324 JLVWPILOBFWTBB-PNCHPQGNSA-N 480.562 0.676 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834767541 TVAXBKXULCCHKZ-DQMJNTIXSA-N 492.573 0.773 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1835095764 CKMTXGAGMDNDCC-SIBVEZHUSA-N 492.532 0.501 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835114562 OUYKRAIYLYRBLN-BEFAXECRSA-N 493.630 0.870 30 20 JCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CS(=O)(=O)N4CCCC4)CC3)CC2)CC1 1835117064 FPAYHIGNBAGZRZ-UHFFFAOYSA-N 451.593 0.287 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1835644701 SCCMBZSTKIWLCG-QFIPXVFZSA-N 478.590 0.321 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccc1C=O)CCO2 1835952509 SZPZZVYGWWVFJI-AWWPTUBISA-N 458.515 0.176 30 20 JCED Cc1c(C(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)cn2[nH]cnc(=O)c12 1836090716 HVCSNSDTEGSSRQ-JFLMPSFJSA-N 496.616 0.988 30 20 JCED C[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1836559788 FJOVSPDBXFYBGD-GFCCVEGCSA-N 455.606 0.342 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1836769006 HNBMSVNJPXLRFL-ZQMYSKGWSA-N 465.547 0.084 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1)c1ccc(O)cc1 1837277466 KTDXBGXPLNDIIB-CLOONOSVSA-N 496.568 0.679 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)o1 1837443876 LYXJDUOCICSSJS-IGPUNGKJSA-N 461.519 0.780 30 20 JCED COc1cccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837559675 AVUMQLLYBMODOT-HPTBBYBNSA-N 456.499 0.801 30 20 JCED O=C(O)c1cnncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837945572 JUOYILQIXKPNKU-QHCPKHFHSA-N 450.451 0.297 30 20 JCED COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1838514856 NQZUPKATQFCTSE-XMMPIXPASA-N 459.543 0.930 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4ON=C(c5ccccc5)O4)C3)C2)c1 1838737501 WEAOXJOZPKDBOO-GOTSBHOMSA-N 465.466 0.691 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838773906 DEAAHZBVNSQFTF-JOCHJYFZSA-N 487.528 0.960 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)c2ccccc21 1838951334 KWYFJDREQCDJLT-AREMUKBSSA-N 489.532 0.982 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839078055 ITZHHGABJRRARG-CNNODRBYSA-N 451.640 0.217 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)N1CCN(C)CC1 1839103137 GHXFQVWNWRCMAU-CYFREDJKSA-N 455.559 0.264 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1839176226 COMGHUSUZMZNDI-HSZRJFAPSA-N 471.514 0.617 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1 1839184981 JQDWMJOCAZZXCY-CYFREDJKSA-N 499.605 0.965 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1839227043 INBNWYGJPFVEKI-UUOWRZLLSA-N 491.541 0.707 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C3)C2)c1 1839450803 HTKRCLSXACOZAE-VGOFRKELSA-N 463.556 0.617 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)COc2ccc(O)nn2)CCO3)c1 1839667632 ZJMSJSSMEZYGMY-XMMPIXPASA-N 481.509 0.522 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2)c1cccs1 1839781985 KQSOARMTLBYLMG-WMDOEDGGSA-N 482.580 0.521 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1)c1ccc(O)cc1 1840220887 IJNNJNHWKJSBIT-OWHZGTRUSA-N 486.569 0.793 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1)c1ccc(O)cc1 1840222429 OSZAKCCFQJCYBM-DRMXPCRNSA-N 457.527 0.480 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840289450 ACYYHDLQBAHXQO-KOSHJBKYSA-N 475.542 0.782 30 20 JCED CN(CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C(=O)OC(C)(C)C 1840911914 QNSQQKQLVGESHP-JOCHJYFZSA-N 467.519 0.178 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC(C)=O)C1 1846006778 NVRXJUPCSHGDDN-WBVHZDCISA-N 495.577 0.520 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccc(I)c(O)c1)C2 1846197247 KEMAMGMEDNGQKP-UHFFFAOYSA-N 454.220 0.902 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 1847261961 JELCBZAZPXQALP-LUCVIIJNSA-N 452.555 0.948 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)CC2)c1 31079387 APIFUISRQUYTTG-UHFFFAOYSA-N 456.528 0.400 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)c(F)c1 502041253 MYLXIQPUVDOHCL-AWEZNQCLSA-N 455.515 0.734 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CCN(C)CC1 516827695 MNILESPONCCEBN-UHFFFAOYSA-N 453.524 0.890 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCc3noc(C)n3)cc2)c1=O 516829048 DNQYSHFVUGETBP-UHFFFAOYSA-N 493.545 0.728 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)C1=O 522975437 OQPQCRKOPKRYQT-UHFFFAOYSA-N 491.508 0.283 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2OC)c1=O 603796792 PIBTZRAVTQNPQF-UHFFFAOYSA-N 456.568 0.280 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC 604118982 XZZHNEBDPCMJSB-UHFFFAOYSA-N 463.581 0.379 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 613080027 WDWFNWZFCNDYQX-UHFFFAOYSA-N 489.550 0.386 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCC(=O)Nc2ccccc2Br)C1=O 726042084 BGKNPKCYMGJRHH-UHFFFAOYSA-N 481.259 0.024 30 20 JCED C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCCS(=O)(=O)CC)cc2)CC1 746508363 ZALLJVXRMQMEQF-UHFFFAOYSA-N 459.590 0.109 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCNC(=O)c2cccs2)CC1 749930803 PKWMBXPZCFTAIO-UHFFFAOYSA-N 490.563 0.816 30 20 JCED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 750820734 LRLBRVUXYKWLDF-HSZRJFAPSA-N 499.524 0.997 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 771807639 LBPSBTLRQWGJPZ-RHSMWYFYSA-N 476.349 0.686 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CCN3CCOCC3)c2=O)cn1 917770050 UIMVLVSGAJYVKX-UHFFFAOYSA-N 493.545 0.090 30 20 JCED C#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 919959203 IVZQIJNUDQFUQO-NRFANRHFSA-N 456.480 0.914 30 20 JCED C[C@@H]1CCCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1291129155 JQFHWKZGXZHGHD-HLIPFELVSA-N 469.587 0.785 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C#N)C1 1465696531 JYEMFGBMMUCHRE-KRWDZBQOSA-N 457.535 0.877 30 20 JCED C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507786253 WDSDEDIURFBJTD-MRXNPFEDSA-N 469.384 0.671 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1517437770 KDUFDJWLTVYVCX-MRXNPFEDSA-N 451.535 0.595 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCOC1 1611705378 RLPVSOHFMIADDG-QVKFZJNVSA-N 493.565 0.377 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN(C)C1CCCC1 1611706910 HQBPSTAPBHCTST-VQIMIIECSA-N 464.640 0.939 30 20 JCED CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)N(C)C)CCOC1 1616253142 KDMMJEAUSWBPMU-JOCHJYFZSA-N 454.535 0.612 30 20 JCED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1623278021 NLPRLRFTJODIAA-LSDHHAIUSA-N 456.546 0.644 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1692544464 NTEJYQAPVQATHQ-SJLPKXTDSA-N 454.535 0.813 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1698049174 LQLQTEQBLYRIIQ-CVDCTZTESA-N 453.547 0.820 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC2CC2)C1 1724010429 JGDAXMRSWGIBBK-OXQOHEQNSA-N 465.580 0.267 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCC(=O)N(C)C)CC2)c1C#N 1725869168 WBHWGWPLUGIPCG-KRWDZBQOSA-N 468.566 0.338 30 20 JCED COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)cn1 1730774149 LWNWQBDSQCGSCR-UHFFFAOYSA-N 450.503 0.946 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1731011198 ZCQNBUYZSWEQDE-CVEARBPZSA-N 456.594 0.202 30 20 JCED CC(C)(C)S(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741242616 JIODDKGNEMOSIR-KRWDZBQOSA-N 463.608 0.790 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1751206259 ROFXJAADBOIHRY-QZWWFDLISA-N 481.602 0.973 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCCO3)C2)C1 1778077424 FOTVSKQQSNGCNH-XLNZFTOWSA-N 479.574 0.881 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1778738184 JBCJETUZMYYVNA-FGDDKPPBSA-N 493.557 0.206 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)nc1 1779015706 BRGYFGQDJFCGTD-KURUZVKSSA-N 463.560 0.400 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1779402298 FJBPFEILZSILDW-YCRNBWNJSA-N 480.562 0.277 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1781168267 NIRZONVZRHESDE-UZUQRXQVSA-N 474.562 0.955 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1781694461 WIFSXUJQFONOBH-SEPYTNNBSA-N 478.594 0.290 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782013912 YZKKKUXKAWPILU-OPAMFIHVSA-N 467.519 0.130 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1)C(C)(C)S 1783158496 HEJZUJWMFILBPI-IIBYNOLFSA-N 472.608 0.684 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783159936 ZKQYQGWSGSAGLA-VVBPWWLESA-N 450.536 0.422 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)N(C)C)C2 1783267504 CLRKMVGJBHKHMH-HOOSLVGPSA-N 493.605 0.688 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Br)nc3F)[C@H]2C1 1785483780 JRFQKCTYYMQWRA-DRZSPHRISA-N 454.252 0.665 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1785594678 XKBCCPZXMQATCD-PUCZYUMASA-N 467.592 0.912 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859573 QCYOLWOCVLDZRM-RDGPPVDQSA-N 495.621 0.524 30 20 JCED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Br)c(C#N)c3)C[C@@H]21)C(=O)O 1786897888 XDHKHVSHWROTDD-PLYYQAHHSA-N 493.358 0.977 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccnn4)[C@H]3C2)c(C(F)(F)F)n1 1787119649 GGBQEKZZGNJPLZ-RCBQFDQVSA-N 463.420 0.857 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)nc5sccn45)C[C@@H]32)c1 1789345320 CFZDGYGLDDRYJA-ZQIUZPCESA-N 452.496 0.863 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)NC(=O)OCC)C3)c(O)n1 1794491067 QZOZVBWZYMEPNN-ACNBBOPNSA-N 462.503 0.174 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOCC2)c(O)n1 1795466267 NDJAHASNGCFAFX-OPMZPASUSA-N 458.559 0.831 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)c(C(F)(F)F)n1 1795996892 LGQWSWUTDHPONX-DBWKPXFBSA-N 491.426 0.490 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)[C@@H](O)C1 1797309453 BBXDPBDJMTXEBR-FYNHEXGPSA-N 475.586 0.997 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1797742284 QLMPUASLRFEPHL-YBWLHZQLSA-N 470.574 0.593 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 1797808309 BDUIRDFLIOMUGE-BGTHGAAWSA-N 476.574 0.896 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCNC(=O)c2ccc[nH]2)C3)ccc1F 1799323010 MCJQUVYWTUGWKF-FEJSZKPUSA-N 467.501 0.978 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799885983 BVBWNJDTNWPUAM-WOUAJJJCSA-N 452.515 0.943 30 20 JCED CC(C)(C)OC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800722087 JFBUHICJWCGJHP-OWLYLJIXSA-N 475.542 0.842 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2)[C@@H]1c1cccnc1 1802484999 ZXPAMVRXQYWARN-HGHFLKBRSA-N 462.510 0.980 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)[C@H]1c1cccnc1 1808449657 IVCUWAOPCPQMHJ-ZJOUEHCJSA-N 460.531 0.748 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)[C@H](O)N1CCOCC1 1810353968 MTWDODBXQZQUOZ-GLCRTEFBSA-N 458.563 0.210 30 20 JCED C=CCC(=O)NC[C@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1813053072 CERIHEIXPXZVFA-VQIMIIECSA-N 465.514 0.111 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816675492 PUFAYALHFDUXCR-LBPRGKRZSA-N 491.493 0.446 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)NCCC#N)[nH]n2)CC1 1818965096 CXOATPUHQGVJQE-LJQANCHMSA-N 472.594 0.848 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1819845501 DLTPCZOEYRDYHD-MGPUTAFESA-N 462.572 0.404 30 20 JCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1823081963 ODPZJJOSTQTATQ-NXEZZACHSA-N 459.492 0.296 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCN2C(=O)OCc1ccccc1 1828618019 CCRRVRVFMBQFER-RUZDIDTESA-N 493.520 0.667 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1828920923 BPJFWAQPZQBSNR-XMMPIXPASA-N 464.478 0.830 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829123299 GUDNHUNLGZIYBS-RLSLOFABSA-N 487.601 0.298 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCN2C(=O)OCc1ccccc1 1829144222 CPFZUKJSZCYJNM-RUZDIDTESA-N 492.488 0.941 30 20 JCED CO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334917 QDGNEHZBBLZOMZ-GAJHUEQPSA-N 457.483 0.561 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(F)cc34)C2)C1 1829770577 YYSSYHCFYHFPKN-UZQCKINESA-N 471.489 0.630 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456223 GENBALYMGGZGCQ-WZONZLPQSA-N 492.598 0.275 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c1 1830456868 VAUMXLPFCUHNQU-RDPSFJRHSA-N 454.527 0.473 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1831387255 FYFRNULZBDUOKU-DVECYGJZSA-N 497.589 0.413 30 20 JCED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)c1=O 1831887727 DHEFXXYTYXGHME-DEOSSOPVSA-N 468.485 0.709 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccc3ccccc13)CCO2 1832448336 VEUCCUBPBLRVMA-XMMPIXPASA-N 452.463 0.763 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1832458593 SCSCCIKSCZCHQD-JOCHJYFZSA-N 487.619 0.903 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(CO)CC3)CCO2)C1 1832519116 XKHWXGPWYZXZLC-XWEVFREBSA-N 450.580 0.523 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832946554 LAUFQNJNWRUCQE-NTKDMRAZSA-N 489.573 0.715 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833411201 BBHHWZQTXCUTGO-HJPURHCSSA-N 491.545 0.112 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(Cl)c1)CCO2 1833580083 YQSJIGXRSWFTKU-IIHIVLJSSA-N 465.938 0.982 30 20 JCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)c4cc5n(n4)CCCNC5=O)CC3)CC2)CC1 1834600407 SGQNLIVMMPEYEH-UHFFFAOYSA-N 453.547 0.506 30 20 JCED N#Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)CN4CCNC4=N)CC3)CC2)cc1 1834703181 HHKWCSSGJVBGHI-UHFFFAOYSA-N 465.602 0.902 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835349779 XAYHYLFFFHMWRK-HXOBKFHXSA-N 478.546 0.382 30 20 JCED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)c2n1 1835677112 ITIAKRDMFUPPTR-DEOSSOPVSA-N 483.573 0.698 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CC)NC)CCO2)C1 1835919416 SXDDVHVIMLOIML-BSRJHKFKSA-N 466.579 0.357 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)cc(C(N)=O)cc3C)CCO2)C1 1837433701 GBKZUUFPNPWGRF-MHECFPHRSA-N 457.527 0.511 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1837446992 SLSKOIYWRIFJMP-KQHYHWCPSA-N 455.559 0.951 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1837489890 XPAPSJUSEMXFCH-RUZDIDTESA-N 485.537 0.621 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837563424 XYPMYKZMRXBTAK-QMHACROESA-N 466.538 0.869 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncnc3C)CCO2)C1 1838100147 VWJABZQDLZBWAM-NTKDMRAZSA-N 487.557 0.772 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CN(Cc5ccccc5)CCO4)C3)C2)c1 1838736975 DGEZWMOOLPOFKD-OZXSUGGESA-N 493.564 0.857 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]1O3)CCO2 1839085924 RVBSORDWFHDWGF-MIVHDCIWSA-N 463.531 0.100 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c(C#N)c1 1839132359 DFMIVHHGFVDEJV-XMMPIXPASA-N 497.508 0.140 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1839174801 XPJSDRQWMLMXHC-XMMPIXPASA-N 474.510 0.924 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C(=O)OCC)C2)C1 1839175885 KDBGEMJNCKOOLS-QFIPXVFZSA-N 454.520 0.542 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361679 YNJUCRISTQBLNV-VGSWGCGISA-N 478.571 0.150 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839362692 IQACFSZLVYFHTR-DEOSSOPVSA-N 450.495 0.835 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839422389 QGRSNVWBVVFBJN-QHCPKHFHSA-N 454.458 0.989 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839513055 VCMZYIKHTTXGML-QMHKHESXSA-N 456.499 0.997 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839623808 CKJXSJUEFFAZJL-JOCHJYFZSA-N 473.509 0.220 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)S)CCO2)C1)c1ccccc1 1840157700 YAYATTGIANGOKK-QLVMHMETSA-N 451.545 0.858 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1840165824 LJXVKAVGPMQATE-DJJJIMSYSA-N 460.549 0.618 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840571616 DAPCXCVFVMKVRR-NTKDMRAZSA-N 480.606 0.864 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842920705 PTVGLSFWSSMNPH-INIZCTEOSA-N 451.568 0.747 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)N2CCN(C)CC2)C1 1845100940 DJMTUHNTOVFDJY-RTBURBONSA-N 461.607 0.742 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C1 1847044425 KRHDYXHCOIUKPI-HZPDHXFCSA-N 451.520 0.685 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccc(C#N)cc2)CC1 9801279 ATTMJHJMTURLHY-UHFFFAOYSA-N 462.484 0.618 30 20 JCED COc1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1S(=O)(=O)N1CCOCC1 30939892 YLNUBPVEWKZDOB-UHFFFAOYSA-N 471.539 0.945 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(S(N)(=O)=O)s3)CC2)cc1 504091790 ZRPDVDMOEAIJEW-UHFFFAOYSA-N 469.570 0.483 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OC)c2OC)c1=O 514337612 UNBWOCZWNULCBP-UHFFFAOYSA-N 486.594 0.288 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(N4CCOCC4)c3)CC2)cc1 517110133 XGNCXBIPJSFLRI-UHFFFAOYSA-N 483.550 0.866 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccc3[N+](=O)[O-])c2=O)cn1 522389764 PIIBZFBNCVLKGJ-UHFFFAOYSA-N 450.480 0.805 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1CC(N)=O 524281995 KVHBYSGELGPSNB-UHFFFAOYSA-N 480.493 0.424 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(=O)(=O)c1cccnc1 603734106 OOAOYNJKAWIJFK-UHFFFAOYSA-N 463.541 0.107 30 20 JCED N#Cc1ccc(N2CCC(NC(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)CC2)nc1 608983658 GAHXALPMIOEOEP-UHFFFAOYSA-N 461.526 0.993 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCc1cccnc1 609038522 QIGLGNKLKSOCOL-UHFFFAOYSA-N 491.529 0.818 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(=O)N(C)C 609074780 NOXBTQWPZOVGPV-UHFFFAOYSA-N 466.485 0.835 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1 729675065 RPBCIUTVWFOTBQ-UHFFFAOYSA-N 461.565 0.088 30 20 JCED Cn1[nH]c(Br)c2c(=NCCNC(=O)C(=O)Nc3cccc(OCC#N)c3)ncnc1-2 729884335 JTEFHAFZBIDMLB-UHFFFAOYSA-N 473.291 0.568 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(Cl)c1 839215786 KWDPOVBNRTXXDG-UHFFFAOYSA-N 457.943 0.942 30 20 JCED C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)NC1(C#N)CCCCC1 912685516 NJUDEGXBKZDXLF-OAHLLOKOSA-N 462.528 0.695 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 918428958 FJNWJJDWQAGILF-QOMWVZHYSA-N 498.565 0.818 30 20 JCED CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 919034589 VXNCVTOOZBBMHQ-UHFFFAOYSA-N 464.544 0.485 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1313648742 WXHJYBVDPFLRBG-UHFFFAOYSA-N 452.563 0.895 30 20 JCED CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1503292284 WNARCNILTMGNBW-ZZQXMTQJSA-N 497.622 0.994 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCN(C)C1 1509302909 OQYBHXQOEQCQKR-NQIIRXRSSA-N 483.639 0.444 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C(C)(C)C)CC1 1541993619 YPNXKIRDHOWOJS-INIZCTEOSA-N 481.623 0.903 30 20 JCED N#C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CCN1C1CC1 1561830562 JZJYEVHVGAWZIE-ZDUSSCGKSA-N 452.480 0.888 30 20 JCED CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1696824122 MZBHXASVTKRUNG-LJQANCHMSA-N 473.603 0.867 30 20 JCED CC(=O)N1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CC1 1705969441 VOCMLYWBLGDGDB-FQEVSTJZSA-N 493.634 1.000 30 20 JCED CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1711422073 MOMXQOOSPHDDQG-IBGZPJMESA-N 490.611 0.895 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCCC(=O)NC2CC2)C1 1712707426 WCEZTEMNJWVQMX-GOSISDBHSA-N 479.607 0.800 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1729299042 PFHLPDXSTKXTNO-UXHICEINSA-N 452.563 0.935 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1769127425 OGTHPMAZOYNXKO-YKTARERQSA-N 472.543 0.104 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1=O 1771150665 YYFMRJFIVUJDTH-IBGZPJMESA-N 483.573 0.744 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(C(=O)OCc4ccccc4)CC3)C2)C1 1778279966 KYRLOQPYUIXTJZ-RUZDIDTESA-N 483.521 0.953 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1779338724 YTXQXNUCCGZOAK-OIMWQHCXSA-N 469.579 0.917 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780159119 VUVBJYVEAPHQEW-NTKDMRAZSA-N 460.527 0.852 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780244830 SFKVZMQULCMPSK-NYHFZMIOSA-N 461.519 0.683 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1781051383 SZJUQQGEHKBRRA-MCLIINAXSA-N 469.579 0.917 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1781169498 ODMVVKKAESQZNC-ZHRRBRCNSA-N 465.551 0.181 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781307925 HOBLKIDRIFANOE-YWCATRMKSA-N 492.573 0.359 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782009637 RKEKVDSLNWTWFC-CJFMBICVSA-N 483.521 0.369 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873122 GTNOGKSOJVINOY-NRAIQUKZSA-N 490.626 0.765 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873881 BIDKQYQFDNHDEP-YZZKKUAISA-N 476.599 0.190 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cnnc4)cc3)C[C@@H]21 1783531314 PKYKTSJDBCZNDR-VMCVYSOCSA-N 464.526 0.719 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3ccc(C(F)(F)F)cc3n1)CCO2 1783563645 VUEBUGINRWEXBB-LJQANCHMSA-N 450.373 0.885 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CN4CCCCC4=O)C3)C2)c(C#N)c1 1783758342 LTVGWICZQSCILI-DEOSSOPVSA-N 454.527 0.952 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1783848369 XWMNOUVQMGYBTO-GVEVQCCMSA-N 496.564 0.858 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1784199117 CEGVEGDNJGBTKH-PTTAZLHSSA-N 455.577 0.863 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1784786525 PNXIKYQKIHYXAY-KSWRQPAISA-N 493.561 0.034 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)NCC(C)C)CCO2)C1 1785575194 ZVKZEJJCIHDEAG-GAJHUEQPSA-N 464.563 0.505 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785585704 JZQMBEPDNASCJM-SNRMKQJTSA-N 477.587 0.360 30 20 JCED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#Cc4ccccc4)[C@H]3C2)cn2[nH]cnc(=O)c12 1786562224 GAFRNGYKGDISFK-JBACZVJFSA-N 459.506 0.976 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]3C2)cc1C#N 1786792687 ZGZCXFSIVAGUEQ-QRFRQXIXSA-N 494.485 0.664 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1ccc2nncn2c1 1788374709 PSBQKHSJIUMROJ-MDOCNXNBSA-N 456.503 0.852 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1788637110 FZPMAGUTYYCEGL-BZSNNMDCSA-N 458.515 0.239 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccncc4=O)C[C@@H]32)c(C#N)c1 1789843518 RNWZOCNNKLZYFA-YYWHXJBOSA-N 465.510 0.346 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789884227 NROLYDRSRDMFGY-LKBVBZQSSA-N 464.563 0.570 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1)c1ccc(O)cc1 1790636969 BQUQLYOSOMOLOI-QIJZPMMNSA-N 485.537 0.412 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 1792255667 UIYCPVHDOQITTM-LEAZDLGRSA-N 486.569 0.895 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnn3)C[C@@H]21 1792257242 SIIHYNNNAJLYSG-DWRORGKVSA-N 457.531 0.987 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1792272776 ORAMDVPEZSOMBD-VGWMRTNUSA-N 451.524 0.039 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(=O)OC(C)C)C2 1792484172 FURSGNVLMWRGQU-KAXDBTLWSA-N 470.526 0.708 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)C(F)(F)F)C3)c(C(F)(F)F)n1 1795997584 SBAULXJKVJQISM-WDAIWFPHSA-N 493.364 0.854 30 20 JCED Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/O[C@H]3CCCCO3)c(C)n2n1 1797811903 HYHLMKBYLIFUFS-YKCSLIFISA-N 471.518 0.473 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2)c1ccccc1 1797879994 PUOBONHCFNYMQZ-JTOYRKQZSA-N 457.571 0.060 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(O)nnc2O)cc1 1799309211 ZVRLONDZBTUVDD-FNXCXNLRSA-N 466.498 0.789 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1799321593 GNDZOEFKOAYVSU-KRXQYRFLSA-N 491.545 0.951 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800988185 LXNCBNDRUOKCTI-JBXGNFEISA-N 473.592 0.741 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1801005524 YJOCWONFWKOYBQ-GNCOGERQSA-N 484.431 0.791 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O)NC(=O)OC(C)(C)C 1801120711 SNFQAGJAWMBLND-GEYWLOKFSA-N 490.557 0.361 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1802126947 DFCZFPBWSDMREM-RZFLPCETSA-N 483.587 0.070 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@H]3CCc4nc(NC(=O)[C@@H](N)CCC(N)=O)sc4C3)c2c1 1814809127 BQGYXTUCYXLEOS-AAEUAGOBSA-N 466.527 0.710 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1819392988 BMGSSOXYOZZBSB-PDYUXYPTSA-N 466.506 0.918 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNC(N)=O)CC2 1828286442 IXYALJKHOBGXAY-DGCLKSJQSA-N 464.548 0.640 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)no1 1829631442 JXKWFMZTRXVFHO-VWLOTQADSA-N 495.536 0.674 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3CNc4ccccc4O3)C2)C1 1829770493 UKEYTAMBLWVOGD-ZNWRTWMLSA-N 484.553 0.564 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830586194 SRXPYPUZCSQPGS-CHJDIFOWSA-N 493.601 0.911 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831166677 LSQJDLUNEZEBQN-KRWDZBQOSA-N 451.520 0.659 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831221088 CDKJERRMRJJONA-XMMPIXPASA-N 474.579 0.893 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(F)F)cn3)C2)C1 1831391246 LADGQKVDELQGKI-QVKFZJNVSA-N 453.442 0.791 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(C(F)(F)F)cn4n3)C2)C1 1831394138 XGTYBKDRBQGRTL-QVKFZJNVSA-N 495.458 0.856 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1831424024 AWXZNDADSIHZGU-MBSDFSHPSA-N 480.583 0.680 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1831437343 DDKJTSFHHUGEEV-JTSKRJEESA-N 455.552 0.949 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5csnn5)CCO4)C3)c2c1 1831754560 IYHKHXICUQRNAW-FQEVSTJZSA-N 453.484 0.670 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832109578 PTJVUGGXIBILCP-JTSKRJEESA-N 477.587 0.671 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)cc1 1833107551 ASAONUZNQACTJV-FQEVSTJZSA-N 466.542 0.270 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833272159 UULQERVWJGKTLZ-YLJYHZDGSA-N 480.606 0.482 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnsn2)CCO3)c(C#N)c1 1833534344 WTXMCJUDKJOKJI-NRFANRHFSA-N 457.512 0.731 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833615385 SHWKUKASSZBDLS-YADARESESA-N 489.573 0.789 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CN4C(=O)CNC4=O)CC3)CC2)cc1 1833676324 NFCQZJAPGVMCNE-UHFFFAOYSA-N 466.542 0.224 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOCC3)CC2)CC1 1834636470 JKXMCEDOCWDFFJ-UHFFFAOYSA-N 462.639 0.562 30 20 JCED CN(C(=O)OC(C)(C)C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)n(C)n1 1834760051 DYGLMQUEBCJHRE-JOCHJYFZSA-N 476.534 0.775 30 20 JCED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675600 YJIRMZQXQPMJLP-UUOWRZLLSA-N 495.621 0.885 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835849266 NZZAPIBMGYSWNU-QRQCRPRQSA-N 493.586 0.712 30 20 JCED Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)n1 1836062370 LVVIDRJCSWENCU-QHCPKHFHSA-N 455.490 0.672 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)c(C(F)(F)F)n1 1836320947 YTSWDVURBDCNHG-HXUWFJFHSA-N 492.414 0.851 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1836378703 WYTVLKBVEIBFCL-QHCPKHFHSA-N 495.598 0.679 30 20 JCED N#Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)ccc1F 1836409147 NHYCPWXHQBKHMI-NRFANRHFSA-N 472.565 0.404 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837528297 FIAVPZCXMYJRRZ-OXZVPYCZSA-N 490.513 0.467 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562265 IUXIGIUZZSHENO-MUTNTLGBSA-N 455.515 0.120 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2 1837677972 LCOSDMPBONHPII-VGOFRKELSA-N 453.536 0.257 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1838435406 SYSXGBLXRPHQLL-OXQOHEQNSA-N 454.568 0.937 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5cccnc45)C3)C2)c1 1838582306 KBAKIDVLNXZFBP-DEOSSOPVSA-N 476.493 0.993 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2Cl)CCO3)CC1 1838596067 MDIRMKFNCJWBMI-DEOSSOPVSA-N 490.004 0.919 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838767568 LHBSTZNJDWTDHB-SJKOYZFVSA-N 462.429 0.694 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)N1CCN(C)CC1 1839102808 VIQUUQCHLMETNH-UXHIBOPISA-N 490.626 0.579 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)c1ccc(O)cc1 1839165552 OHCSQCGFQOKNIG-DRMXPCRNSA-N 457.527 0.480 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839352515 SGMFMIOBYMSTQW-RUZDIDTESA-N 478.505 0.806 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)ccc(OC)c1OC)CCO2 1839374562 SRGAALFYKKDSRN-WEHRJKGCSA-N 491.516 0.771 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423940 DRBZKLSPSXGDRJ-IVZQSRNASA-N 477.949 0.989 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839425345 WMNWZWIWLLJNKE-YADHBBJMSA-N 479.917 0.897 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452531 GMPMKAQCERKZNC-GAJHUEQPSA-N 457.531 0.644 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Cn4cncn4)C3)C2)c1 1839452773 VXUFEQZTBOXGJF-FDDCHVKYSA-N 452.515 0.865 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C[C@@H](N)c5cccnc5)C4)C3)c2c1 1839487798 HNQORDRTAHJYEM-CJFMBICVSA-N 489.536 0.990 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839552113 GQFUERQTYAXJMO-JKJLQIMHSA-N 454.531 0.876 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)C2)C1 1840167834 PRIOHZASDMQATN-RUZDIDTESA-N 481.553 0.753 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1840843536 UEWJZZYTCDZOLC-JOCHJYFZSA-N 453.536 0.398 30 20 JCED C=CCn1c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nnc1-c1cccnc1 10196370 RXRKJHAKUMXQKI-QGZVFWFLSA-N 462.601 0.950 30 20 JCED C#CCNC(=O)[C@H](C)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 26351181 PUZLLJQIBXDJQW-INIZCTEOSA-N 451.549 0.885 30 20 JCED CS(=O)(=O)c1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 511775181 XUXYWZIGSCGQFV-UHFFFAOYSA-N 463.537 0.874 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C1CCN(C)CC1 517990976 RMFKVKKJEQXKTH-UHFFFAOYSA-N 456.568 0.451 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccn3)c2=O)cc1F 523299340 LVJQWFSRKISHLO-UHFFFAOYSA-N 466.494 0.804 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCCO2 590994693 OUFSIDMLEAOMGH-OAHLLOKOSA-N 478.530 0.719 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)c2OC)c1=O 603794407 CYRSICODOYZYDX-UHFFFAOYSA-N 487.578 0.715 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c1 604270074 CYVOEAWPLRGPAS-UHFFFAOYSA-N 456.568 0.814 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(N)=O 608911969 XJKHERVEFHVUTI-UHFFFAOYSA-N 453.351 0.977 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O 609074367 FMLRYXIFBUXZGO-UHFFFAOYSA-N 452.414 0.099 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)Nc3cccc(OC)c3)sc(=Cc3cnn(C)c3)c2=O)cn1 726180677 RXJWUCVDYCSDRW-UHFFFAOYSA-N 475.534 0.999 30 20 JCED CCN(CC)C(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403672 LXVWBCFUPVHKLR-BIBRTQAFSA-N 495.627 0.671 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCOC)c2=O)cc1 730565350 UYFSMWVYSVMWRZ-UHFFFAOYSA-N 457.552 0.707 30 20 JCED COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC#N)CCN2CCOCC2)c1 749380946 ZLNZBZLJEXGRRD-UHFFFAOYSA-N 458.968 0.953 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)cc1 839264853 ZIFSBKHKMPIBEM-UHFFFAOYSA-N 453.524 0.297 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 913300419 IJQZNTLOXMWSNM-GDBMZVCRSA-N 451.501 0.570 30 20 JCED Cc1c(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(=O)n(-c2ccccc2)n1C 916960645 GQKXETYHEDVXFF-INIZCTEOSA-N 464.482 0.996 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1292126683 SCFUUSYFLDZHJH-MAUKXSAKSA-N 463.608 0.808 30 20 JCED C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1301009525 MHXQQJQFKNAEBU-RBUKOAKNSA-N 495.627 0.948 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccccc1 1301968830 QMYLLDVEJBBQNH-HOTGVXAUSA-N 466.589 0.755 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CC1=O 1504900173 KLIOEJGMAJYTLG-QGZVFWFLSA-N 460.560 0.792 30 20 JCED N#C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CCN1C1CC1 1561830561 JZJYEVHVGAWZIE-CYBMUJFWSA-N 452.480 0.888 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN(C)C1CCCC1 1611706908 HQBPSTAPBHCTST-LPHOPBHVSA-N 464.640 0.939 30 20 JCED CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1)S(C)(=O)=O 1617788570 CSAXKSBLKLUVTH-NRFANRHFSA-N 460.560 0.828 30 20 JCED CCN1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1695843681 RRUQROKXGULULH-ROUUACIJSA-N 451.597 0.835 30 20 JCED N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N2CCSCC2)C1 1731181311 NMYOFYNZLHMPFZ-QGZVFWFLSA-N 452.541 0.556 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCOC1 1741938409 IONSSWVLFLLDPQ-SJLPKXTDSA-N 474.591 0.908 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCCCCC1=O 1741940538 KURJRGYXJUVHFR-IEBWSBKVSA-N 492.650 0.858 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(CC(F)(F)F)CC1 1741943848 IQIBKPPFAGMXLG-HIFRSBDPSA-N 479.529 0.891 30 20 JCED C[C@H](CN1CCCC1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1761429974 ZWIGEMHQBLZWIL-MBOZVWFJSA-N 469.587 0.785 30 20 JCED C[C@H]1CN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C[C@@H](C)O1 1763197566 FXPSSPBMYPJLJO-DMUMMCEESA-N 494.666 0.564 30 20 JCED CCOc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1767641916 QLVPWCNFXBWVTB-CRAIPNDOSA-N 474.591 0.907 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=N)N)C3)c(C(F)(F)F)n1 1777755276 GOBJMSWBBFUFKV-AUUYWEPGSA-N 467.452 0.583 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CC[S@@](=O)CC)C2)C1 1778821789 BTRKTAPBYCLMDW-OZDBCNKYSA-N 469.604 0.892 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(C)=O)CCO2)C1 1778922237 YERRFCOUOUMKEV-IIBYNOLFSA-N 454.524 0.642 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779543631 XOWZPEKZXCYSOX-PXAZEXFGSA-N 472.283 0.496 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781044669 DBSSKZSCICMJBC-DDOIHHOZSA-N 466.579 0.399 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(=O)n2C)CCO3)c(C#N)c1 1781173860 FVOSGAPQNDMVLN-DEOSSOPVSA-N 450.495 0.952 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c(O)n1 1782954218 CCHFFOMSUUSRAL-PGRDOPGGSA-N 463.556 0.927 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2)NC(=O)OC(C)(C)C 1783094712 DXYVBGISPWPWGO-YGKZAACZSA-N 480.610 0.843 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1784494973 PXCHBGCHILVGRS-ZWOKBUDYSA-N 459.547 0.593 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CCS(C)(=O)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1784746463 RNAHHBLNYHYPJN-HTAPYJJXSA-N 485.603 0.817 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785667002 KDICJOHIOPVBQU-QHCPKHFHSA-N 496.630 0.815 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786365690 SGOIYFPAMJCQHQ-NXOAAHMSSA-N 479.582 0.036 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1)NC(=O)OC(C)(C)C 1786745244 IFALKHZYTXFKGL-MHORFTMASA-N 466.579 0.914 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)[C@H]2C1 1787421958 GQQRRNUROWJJKG-WOYTXXSLSA-N 457.593 0.920 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1788594415 VXPJZPDTKWMEJS-BZSNNMDCSA-N 473.583 0.742 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1)C(C)(C)S 1789971264 UTSYBHOFNJAXCC-NBOOPKSLSA-N 496.634 0.860 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)C[C@@H]21 1791540022 HKEVJFHWLILPLR-UJCHZGTJSA-N 451.593 0.391 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3ccnn3)[C@H]2C1 1791650619 VQHGUVRPEGWDLI-VJANTYMQSA-N 474.562 0.565 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C(=O)C1 1792308349 DHPKNJJPJQDOJA-UFYCRDLUSA-N 488.585 0.459 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)C2 1792491199 BBCFCYBZKGQNAV-BMWWRZDISA-N 476.574 0.738 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C#N)c1 1794005054 FVOCRCBQCRELIO-FAQVEIGNSA-N 468.470 0.504 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795411322 FTHKOQDGGQYYMV-DFGXFYAUSA-N 478.546 0.726 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)nc1 1797738848 BANSGRJCCCDNLG-KXJCPHRKSA-N 463.560 0.160 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(NC(C)=O)c1ccccc1F 1799405380 UMUDKTVCWLDLDH-NICVUCQGSA-N 486.544 0.625 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@]13CCN(C(=O)OCc1ccccc1)C3)C2 1800779076 RGKISIUXAPQMAW-MOBXUJDGSA-N 495.532 0.713 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(C)C)c(C#N)c1 1801848665 FPNSDHMCXLFCMO-DMUMMCEESA-N 457.531 0.996 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccccc1 1802116312 XBSRXAKYZOMUNR-RDPOXOKHSA-N 457.527 0.904 30 20 JCED CC(C)C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)N(C)C(=O)OC(C)(C)C 1802157519 OAINCSVMJPPRPM-CLWJZODNSA-N 465.547 0.946 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1803503183 RLNPWPJBPYSSJZ-RWQQGDIJSA-N 450.561 0.454 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)[C@@H]1c1cccnc1 1803548786 PEFXAYLEZFGPJC-CGRMTHRGSA-N 459.499 0.621 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1808407057 JKJUQYVOAAKXRJ-VZVPXEAQSA-N 489.598 0.371 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1810283993 JVWQMRSGFRMNMT-HLJUNZPOSA-N 466.479 0.284 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810393939 YFQBGRMGMGPNRR-ORBMWFEOSA-N 457.487 0.864 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1811188002 XAXGQYIOWJFWPU-AVRDEDQJSA-N 476.537 0.989 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2n[nH]cc2I)[C@@H]1c1cccnc1 1812881608 XCCQVBJFMULVBX-SJKOYZFVSA-N 493.261 0.817 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1819452250 HSAIFVJZUYZEFS-UEXBOALHSA-N 472.439 0.656 30 20 JCED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1819951591 FULLNIYACYMDFP-OTWRLEFPSA-N 467.471 0.207 30 20 JCED CC(=O)NCCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334452 IWVIPQCNJILEKN-XMMPIXPASA-N 484.509 0.053 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1829771858 XTYYQMDMNUANOF-UZQCKINESA-N 453.499 0.491 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)nn1C 1830957881 VRXBKTYYTNHDQL-DEOSSOPVSA-N 467.526 0.678 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2)c1ccc(O)cc1 1831022849 CXJSMVVCZWDADY-CJFMBICVSA-N 485.537 0.798 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(Cc3ccccc3)C(=O)OC)C2)C1 1831402250 RSQWXXMFLTUMRJ-CPJSRVTESA-N 487.553 0.750 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1831425964 XXJRCLMTQOTEIJ-QKKBWIMNSA-N 461.544 0.935 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831466579 QFZNAQRZEOZJKP-VGOFRKELSA-N 479.555 0.074 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833024097 BPCDOYVMVSYQIU-OSPHWJPCSA-N 490.557 0.432 30 20 JCED Cc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834066304 OFRHYGFEJMUHOD-MYRHLRDYSA-N 450.492 0.890 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834765997 PZMIUTZNSXOCAE-GAJHUEQPSA-N 495.577 0.118 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835109933 KGTVUOMPBYPNRC-KAKONUFLSA-N 490.630 0.219 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1)NC(=O)OC(C)(C)C 1835517039 QEWIDXHKOYLDML-KSFYIVLOSA-N 499.634 0.929 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)C 1835677862 OWXCBXWKCFOTCJ-XMSQKQJNSA-N 452.552 0.312 30 20 JCED Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1836304718 JBTNXZBIDCNGQD-OAQYLSRUSA-N 450.459 0.245 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1836727338 DOGSAWIAGVZGSE-RTWAWAEBSA-N 454.499 0.706 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1836856974 DJHWRUBBBNXVJB-HNNXBMFYSA-N 456.503 0.068 30 20 JCED CN1CCC(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1837486556 JLPFSBOWLKDTGK-RUZDIDTESA-N 461.603 0.873 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837489608 OAEQTCMKYMELRM-JOCHJYFZSA-N 464.950 0.692 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1)c1ccccc1 1837614116 KYNTXLCHECPNFA-ZEVJAHDQSA-N 485.581 0.791 30 20 JCED Nc1n[nH]c(CCC(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)n1 1838368015 CNHGJNZCJLLVAU-MNQDVBFDSA-N 477.566 0.847 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)n(C(F)F)n1)CCO2 1838703233 FJGVZNAINCXEPE-OLEQZPESSA-N 467.473 0.515 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccccc4-n4nccn4)C3)C2)c1 1838739036 JDLCHGNXUFRJFV-QHCPKHFHSA-N 461.482 0.851 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1839130219 YGYYMSGEECGMHB-YEWNNSEMSA-N 493.601 0.911 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)CCO2 1839139628 ODQGHIMPRVZUAX-HSZRJFAPSA-N 483.562 0.024 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1839222619 TVPGYVQXZCLDTA-VGSWGCGISA-N 481.571 0.961 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718480 XICMEVCPDKEQEA-FDDCHVKYSA-N 474.514 0.981 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(Br)ccc3[N+](=O)[O-])C2)C1 1839805540 LPGKLCYTYYSHOA-LJQANCHMSA-N 466.288 0.989 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)CCO2 1840048018 OQVQYSSZKGNFDA-VTGKMIRISA-N 499.630 0.520 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1840176915 KHWZJZWXKXFYMZ-PKTZIBPZSA-N 478.929 0.764 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1)c1ccc(O)cc1 1840220408 NKLOBHCXNFVEQO-NBGIEHNGSA-N 455.555 0.907 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1)c1ccc(O)cc1 1840222084 CIRBTJBJEMPVLO-IPVFLDMMSA-N 483.565 0.872 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840289805 NRSUUIKOTTYIOX-MWTRTKDXSA-N 478.546 0.919 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1840480065 MNNBDCGCFXRTTC-LJFZDNNRSA-N 482.541 0.593 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840843465 RJZMYXPOPAPGDA-MHECFPHRSA-N 495.573 0.703 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844298932 UGWJHQKSSDLOBA-KZXCBOLKSA-N 454.524 0.604 30 20 JCED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1846256889 HSPHZOPHZCGZSK-XQNSMLJCSA-N 454.568 0.358 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C 1847812042 FNNGZBSQIHGWOX-MHORFTMASA-N 480.610 0.936 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cccs3)c2=O)cc1 254843722 LAYYDXLVQMYGOC-UHFFFAOYSA-N 496.614 0.921 30 20 JCED CC(C)(C)C(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 502217234 SJCWAODVWPUJTD-UHFFFAOYSA-N 461.588 0.581 30 20 JCED N#CCCSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 514469334 JZBDDIZUBJNTCV-UHFFFAOYSA-N 467.573 0.352 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 603455351 XVTVETNEBWQWON-UHFFFAOYSA-N 478.552 0.378 30 20 JCED Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 603496181 NTSBJWYXVJKVJT-OAHLLOKOSA-N 451.530 0.682 30 20 JCED COc1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1OCC(N)=O 604219130 UEZLDWDMBZOAGT-UHFFFAOYSA-N 468.470 0.584 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1CC(N)=O 608911193 QPLBIJVOCZDUJV-UHFFFAOYSA-N 468.560 0.389 30 20 JCED N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)CC2)nc1 609005821 XYEPJHFYWRXJJH-UHFFFAOYSA-N 491.552 0.948 30 20 JCED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC1CCN(CC#N)CC1 609341245 TWGOOLVANCYFJV-UHFFFAOYSA-N 479.559 0.149 30 20 JCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccc(OC)nc2)C1=O 726404476 YMPYETZQIFRYOR-UVPKWBSNSA-N 477.568 0.874 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)CC1 728532592 DBSPKJMNTXYBDR-SFHVURJKSA-N 459.572 0.178 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)CC1 728535734 DHXGIYWWNYQJJW-UHFFFAOYSA-N 496.589 0.954 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)Cc2cccc(C#N)c2)cc1 750418375 JGJWXRQPZNXSJK-UHFFFAOYSA-N 464.525 0.783 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 811833613 KIHKZIVZOCNJKJ-UHFFFAOYSA-N 465.434 0.788 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccccc2CN2CCOCC2)cc1 811833702 NPUAAZLIGSUUCL-UHFFFAOYSA-N 485.562 0.904 30 20 JCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)c1 819800991 IIAZSIRUKNAVCK-OAQYLSRUSA-N 464.544 0.739 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 831630947 YYXDRCWADCNXPD-HOTGVXAUSA-N 469.585 0.700 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(Br)c2)c1=O 838166313 QHIYZPKXOZONIC-ZDUSSCGKSA-N 480.384 0.973 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1 849195914 MZSZYWUJRJLPBQ-KDURUIRLSA-N 460.600 0.860 30 20 JCED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916873529 YQVJPRINUOOLPN-QGZVFWFLSA-N 450.517 0.061 30 20 JCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1OC 919227711 VMSXNWADPZUEEP-NRFANRHFSA-N 483.543 0.936 30 20 JCED CC[S@@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1503292281 WNARCNILTMGNBW-BBFFTDKLSA-N 497.622 0.994 30 20 JCED COCC[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1504758469 VAKGCHMXTZTQKY-OXJNMPFZSA-N 470.596 0.529 30 20 JCED CC[S@@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1552416677 NFOBBIZTTLLZCO-RKXCMPKHSA-N 479.632 0.855 30 20 JCED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1cc(Br)ccc1C#N 1668852265 ITUURCCTYIDCSR-UHFFFAOYSA-N 459.366 0.732 30 20 JCED COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1=O 1730778983 LSQXKTZBAPAYCO-HKUYNNGSSA-N 481.557 0.891 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1749831118 WHKZXDODKMYOTG-CVEARBPZSA-N 459.594 0.514 30 20 JCED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1763036076 RLBQCRWDNUHVRG-MAUKXSAKSA-N 457.560 0.908 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Br)cc4[nH]ncc34)C2)C1 1778645931 CMOIYCDIPRGMFL-LJQANCHMSA-N 461.272 0.857 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2)C1 1778975420 ZQFLNUOCYLBKNV-KCYKTTMJSA-N 497.589 0.846 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780924960 YUVMEYWIWHRRBU-JOCHJYFZSA-N 492.623 0.590 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)C1 1781293780 BUCVEAURZQXRDB-HKARXFIJSA-N 498.577 0.740 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1783268327 HAIGRKLQOAOTSX-FGDDKPPBSA-N 493.605 0.010 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C[C@@H]21 1783528317 MQRKIMMDEPAZBC-FMPMKQGCSA-N 494.592 0.873 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783685482 RLFZQKTWLWLWNS-NXOAAHMSSA-N 480.562 0.972 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)CCO2 1783899124 ZFYGFEADRPTUGR-HTZUNMPGSA-N 467.592 0.994 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c(O)n1 1783924211 SWSDEYFWGCCCTR-XZOQPEGZSA-N 461.515 0.965 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 1785524143 GUJQKCBUGBSHLQ-QJKPHDSHSA-N 460.462 0.965 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC)NC(N)=O)CCO2)C1 1785595967 GZHPOFUVRZFHOH-QKCPIRFBSA-N 479.578 0.733 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622423 JBKPKYNXUOFUCL-PDSXEYIOSA-N 487.623 0.476 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)Nc3cc(C)on3)[C@H]2C1 1787492590 DHTLJTJQIRHENY-ULQDDVLXSA-N 462.503 0.801 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21 1788661070 XANRRWHJHGUMMB-QJUBTLGVSA-N 485.585 0.892 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789296553 BVZNPPVKQXZICG-CUSZFKRNSA-N 473.530 0.280 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOC4=O)C[C@@H]32)c(C#N)c1 1789839906 SAXWEYGERLPVRK-VDGAXYAQSA-N 456.499 0.541 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)n4)C[C@@H]32)c(C#N)c1 1789841726 BEILRXYCCPAOLU-FNHZYXHNSA-N 467.482 0.604 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790226148 IAWDHAPEUOJWFQ-GIUOSPMZSA-N 475.473 0.785 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C34CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 1790793515 MTLIRICPBFHKFC-OKYOBFRVSA-N 488.585 0.363 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccoc3I)C[C@@H]21 1791076205 ZMEDZUOZEKCLSX-DRZSPHRISA-N 472.235 0.566 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 1792529199 GDHQTJZPOHBVEU-KOCGSJPCSA-N 460.531 0.755 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C=C)C2 1793597684 SIGZNBNPSITUEV-QLCXLMDBSA-N 464.563 0.736 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CCC(N)=O)C(C)(C)S 1795979197 CRWURXYITNNNNH-CEEVZKBLSA-N 485.651 0.819 30 20 JCED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797104948 JUQKKYUQEYPMHH-AFIMGQEJSA-N 450.499 0.986 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 1797245003 CGXYHYULNTWLAN-KAOXLYBCSA-N 483.613 0.759 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797683796 IOHVUOWDNFXWMO-YYAJDYIMSA-N 475.546 0.149 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1797815497 MWBNNVIZWRJCGF-ZYFSXCEOSA-N 456.503 0.390 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1799324952 SQIDXNUWQDNASI-KYFSNAEOSA-N 490.557 0.361 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cccc(-n2cncn2)c1 1799774869 CBMUBBCSNAWNEY-CUCJPJOHSA-N 451.531 0.942 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccnc2C(N)=O)C3)N(C(=O)OC(C)(C)C)C1 1801100554 ZLSGKXAOAUNVSI-NBMJBFSESA-N 499.568 0.949 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H](CNC(=O)C(C)(C)C#N)[C@H]2c2cccnc2)n(C)c1=O 1802684631 OIGHJRRUTXEIER-SJLPKXTDSA-N 492.540 0.084 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)C1 1804851204 BRKLPSYTSWKDFP-PLNGDYQASA-N 454.531 0.330 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1808433370 SDKYNKWNVOIUFH-FRQCXROJSA-N 457.487 0.195 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)Cn4cnnn4)[C@@H]3c3cccnc3)c2c1 1812069884 PQQPKFSSFPXTOI-HRAATJIYSA-N 456.470 0.836 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)[C@H]1c1cccnc1 1812874093 HSIJOLNABZCAGB-IXFSTUDKSA-N 452.511 0.967 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)Cc3cscn3)sc2C1 1816983753 XAZHEKAPSNWEBA-IDOVFVQQSA-N 460.585 0.940 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824673593 LAQGFHNHDKIACO-LLVKDONJSA-N 452.489 0.108 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)c1 1825329081 OEFJPXATIGJXEO-CQSZACIVSA-N 461.519 0.666 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)[C@@H](O)C1 1825660179 CFWJJKSDXXOJFM-YDHLFZDLSA-N 492.554 0.761 30 20 JCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1)n1cnnn1 1828811072 RZNQVKDAYRPGOC-VGSWGCGISA-N 466.502 0.600 30 20 JCED O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828972636 AQOOZXKUFTWRPK-PKYUIECSSA-N 486.533 0.575 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccc1I)CCO2 1830858616 CGUYTUJIRHYNTR-IBGZPJMESA-N 468.291 0.923 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccnc1 1830982961 IASBMILWITVKPV-MWTRTKDXSA-N 463.498 0.962 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831028245 AZJGTCFOFFAFBK-AOMKIAJQSA-N 471.551 0.531 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)C2)C1 1831392135 JHVIKHAVEMIKSV-UUOWRZLLSA-N 479.574 0.738 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1831404737 TUCRWWZTMWADGX-VGSWGCGISA-N 483.537 0.440 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251059 CTVOANWVGYTCAU-QGZVFWFLSA-N 484.399 0.307 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)c1cccnc1 1832727964 AOMRUUHJTWQSHR-ZFTMLNQLSA-N 498.561 0.768 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)CC2)CC1 1833077200 SQNRQEZUKMTBHV-FQQSSWHASA-N 496.612 0.630 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1833335634 UDSQRWFOABPFBD-HSZRJFAPSA-N 472.546 0.392 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1833564020 MCEIIBHURCLIDN-OAQYLSRUSA-N 483.612 0.615 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(Cl)c3)CCO2)C1 1833576521 OUJGVPQOPLVZNX-NRFANRHFSA-N 465.938 0.792 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835354831 GATQGFWDIKIXHN-GWJPWWOOSA-N 480.562 0.771 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1835796174 UMHNWCDADCWFOJ-LAUBAEHRSA-N 486.617 0.740 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)ccc1Br 1836213015 RLXUTYVQNIESJN-HXUWFJFHSA-N 489.330 0.682 30 20 JCED O=C1COc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)cc2N1 1836991794 AFKROXSUNNJEBC-ZHIQAQTNSA-N 485.541 0.559 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4ON=C(c5ccccc5)O4)CCO3)C2)CCC1 1837299652 FFWTWJIUJQONED-NZQKXSOJSA-N 454.483 0.871 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1838331232 ZSNSFXUSENKBPJ-QHCPKHFHSA-N 464.482 0.139 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1 1838735087 VPUWGLANGIGDNJ-HSZRJFAPSA-N 486.550 0.739 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838741937 JITILISABHCAKX-PMAPCBKXSA-N 456.499 0.712 30 20 JCED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1OC 1838840337 ILQWCDQYELQOLP-QHCPKHFHSA-N 475.546 0.451 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1839130629 KHYUYXJSPBZUTB-BSRJHKFKSA-N 467.563 0.520 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccc(C)n4)C3)C2)c(C#N)c1 1839131330 BICIUFLZNAJULX-XMMPIXPASA-N 467.526 0.771 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(C)C)C3)C2)c(C#N)c1 1839132031 NZUYPPMKMNRCOV-DEOSSOPVSA-N 458.559 0.954 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c(C#N)c1 1839132584 JGALMZVGQPMIQB-JOCHJYFZSA-N 484.469 0.511 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839133078 ZNRQVAUPOSACMM-HSZRJFAPSA-N 489.598 0.050 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnc(O)[nH]5)C4)C3)c2c1 1839488170 BPLUNECEOBPFEW-NRFANRHFSA-N 451.443 0.247 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839861663 FFHMGNABSLUBQT-ZHRRBRCNSA-N 468.551 0.178 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)c1ccccc1 1839870411 LQJDAFHZVKVBHT-TYBLODHISA-N 453.539 0.776 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839889565 AYCXQUFOTWJOSL-KKSFZXQISA-N 491.532 0.930 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839959322 HELGPXNYYZHUOS-GJVXBWAMSA-N 475.542 0.575 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840157225 IJBLHZXNWUTDCQ-YCRPNKLZSA-N 455.577 0.938 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(I)cnn3C)C2)C1 1840160534 JZTVVXATKIVWME-BDJLRTHQSA-N 494.355 0.413 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1840164933 KKJABCBGVCYGKF-LIRRHRJNSA-N 461.556 0.720 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)c1 1840181176 SBKCTRIGJFLMNV-GOTSBHOMSA-N 459.499 0.553 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)cc1C#N 1840233440 UFDSHOXRXUGCCI-KBMIEXCESA-N 484.553 0.942 30 20 JCED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1840320550 IXVYAFZSUAVDQG-IBGZPJMESA-N 485.419 0.398 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)c1 1840715323 XBUDUUOSFINERW-XANCMCCPSA-N 472.542 0.034 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820178 CWSQUVAGVZYBLA-XMMPIXPASA-N 471.510 0.903 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1845132015 QWUIXUGKLICPND-OAHLLOKOSA-N 498.544 0.326 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1845209677 BTQIVUFFCQMIPD-MSOLQXFVSA-N 483.525 0.659 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@H](NC)C(=O)O)C2 1847080856 ISMYUIXABOFTEF-ZCCHDVMBSA-N 450.536 0.722 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)C3)C1 1847100720 VAEDYNDXOJYPQP-RPPIVITFSA-N 488.585 0.601 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1=O 10850672 ZTGCBUZRNNCBCM-UHFFFAOYSA-N 481.918 0.215 30 20 JCED COc1ccc(-c2nnn(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2)cc1OC 14281265 WDQNXJJPKLDNHT-UHFFFAOYSA-N 497.537 0.762 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC(=O)NC4CC4)CC3)CC2)cc1 23416571 LFQNZXOGWXIBQT-UHFFFAOYSA-N 459.572 0.382 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 514363700 UUFSEMSNYLHXBT-FQEVSTJZSA-N 476.603 0.517 30 20 JCED COCCNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 518354734 ROLYNLRHFLLAOI-UHFFFAOYSA-N 458.544 0.910 30 20 JCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cn2)cc1 604163845 JWDZQGJPEYSJRW-UHFFFAOYSA-N 492.492 0.214 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccc(OC)nc2)C1=O 726404475 YMPYETZQIFRYOR-GFDWPABASA-N 477.568 0.874 30 20 JCED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C3\CCCN3C)cc1)CC2 727232033 VKZUYZFJMPVGHO-WZTHKDHVSA-N 459.532 0.469 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CCS(C)(=O)=O 729673144 UURKAVBIRKDKFR-UHFFFAOYSA-N 493.632 0.490 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCc2ccccc2)CC1 839244652 IOTKTVSJGURVSR-UHFFFAOYSA-N 476.606 0.553 30 20 JCED CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 913300567 OFWBVIZSXDUCDO-AWEZNQCLSA-N 452.489 0.069 30 20 JCED CNC(=O)CN1CCC(NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 916711257 KRDFYOAHRHSJRI-HKOYGPOVSA-N 450.565 0.831 30 20 JCED CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 916711519 OQWYPDVABIGEMS-NKFKGCMQSA-N 450.565 0.785 30 20 JCED CCN1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1 918279006 LADIPNVSTKABEK-YYADALCUSA-N 492.646 0.972 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1C#N 1154387449 VHDNKYCLNABOJX-CQSZACIVSA-N 455.544 0.766 30 20 JCED CCOC(=O)c1c(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(C#N)cn1CCOC 1310523545 QPEGPHATSBEBDZ-UHFFFAOYSA-N 456.525 0.139 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1314630902 MTLVUOQCMLTIIM-QZTJIDSGSA-N 458.567 0.186 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1321995544 WAFZHEXRGKGAER-GOSISDBHSA-N 477.587 0.736 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1360602782 QWHVVYNZMODLOX-HLIPFELVSA-N 453.613 0.987 30 20 JCED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)C1 1555985869 WLADULNDVHKIHV-SUMWQHHRSA-N 457.557 0.050 30 20 JCED CCN(CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1710063617 KJGACSURCHOQHH-LPHOPBHVSA-N 457.576 0.785 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1747544258 QHISLJQUYSJVSO-UHFFFAOYSA-N 475.575 0.677 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064268 CVVMXZRVQFWBDL-CLOONOSVSA-N 492.617 0.757 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780594354 VFYRCNUNAXFEJX-WZONZLPQSA-N 458.515 0.887 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781560381 FNLLXVJPZREZIZ-PMAPCBKXSA-N 476.530 0.844 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)ccc1Br 1781903990 XCIKILGNQHXLQT-KNBMTAEXSA-N 463.332 0.487 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3c(=O)oc4ccccc43)C[C@@H]21 1783529552 QONPWWQWEIHOBI-VWZTXQRKSA-N 482.537 0.823 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1784021061 ADOLIQASAPUUKX-GWJPWWOOSA-N 452.515 0.967 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)[C@H](O)C1 1786364005 ROWTZQLDLAGYDS-RZFLPCETSA-N 450.536 0.498 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1786576765 VEDNHYAXNMCFOW-TXTZMMAHSA-N 462.547 0.161 30 20 JCED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788614642 VNFFXYOLQNJOSC-BZSNNMDCSA-N 450.605 0.149 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 1788659817 UIDHGOHBOUFPFC-MSNCFCOSSA-N 456.503 0.852 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)[C@H]2C1 1792187366 KHWFQASRMSWJFD-DCDFMAEDSA-N 473.545 0.891 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)cc1 1792559367 WVILKZCMCHGZSJ-OPMZPASUSA-N 465.466 0.460 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792887525 IXKWXJKHIOLHBZ-BPKGMFCQSA-N 455.552 0.035 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(Br)cc(F)cn3n1)C2 1793346177 BXGXSLDYBJFXDE-NFFDBFGFSA-N 494.321 0.872 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793601882 UHTLTRYYYDVEMS-ZSXDVEMLSA-N 495.621 0.786 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)NCC 1797698620 IHBPKBLMVIQFQI-JCECYMMASA-N 479.578 0.200 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CC(=O)N3)C2 1797811773 HDVMMFWNKRAGCE-DNPNBJDGSA-N 456.499 0.913 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)ccc1F 1798357192 HEACEJSOXDTLBH-JLVBRIDZSA-N 452.446 0.032 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1799361794 HZYWCHIUQKUOFX-VLVHOKLOSA-N 486.569 0.966 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(Cc1ccccc1)C(=O)OC 1800852132 JCCJHTRVXXKPAR-RPUPUWCGSA-N 457.527 0.883 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2)c1ccc(O)cc1 1801057232 OASCGJWHNZDRRT-PGRYMQIGSA-N 468.510 0.077 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CSCC(=O)OC)[C@@H]1c1cccnc1 1803574313 OVARBJHWAPXVLI-JZXMRFPWSA-N 460.556 0.852 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1810332234 UVJXZYSBJQBEID-XMSQKQJNSA-N 467.526 0.338 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1814207187 FKSMEDAATQDZFF-FUHIMQAGSA-N 482.541 0.880 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)n[nH]1 1818782449 MARYYOSQLAMRAW-CQSZACIVSA-N 474.437 0.688 30 20 JCED C=CCSCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1828627672 GSGXKRLTJNYUBU-JOCHJYFZSA-N 463.556 0.668 30 20 JCED CC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332728 WNQCIANVDARWDY-XMMPIXPASA-N 469.494 0.896 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)C2)C1 1829762966 VFYXGJGUXXOCBZ-DNYPJJFXSA-N 494.589 0.462 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1830462268 AWIGXQKDVKOYTQ-OFNKIYASSA-N 475.567 0.524 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1830468178 GKQYAEYXLUDJMX-QHCPKHFHSA-N 475.929 0.990 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)CCO2)C1 1833566539 ICPZTWIWSIHQBR-QMHKHESXSA-N 490.557 0.819 30 20 JCED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)CN4C(=O)CNC4=O)CC3)CC2)ccc1F 1833677990 NUONUQLIJSJCLL-UHFFFAOYSA-N 484.532 0.363 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cn(C)nc2OC)CCO3)c(C#N)c1 1833865429 UMNLVGVOANHHTL-XMMPIXPASA-N 483.525 0.622 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768644 HPTDBWOKZAKRQH-HTAPYJJXSA-N 476.534 0.216 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(OC)cc1)CCO2 1834843452 BNMSZSWSBGARRR-ZVDPHFIASA-N 471.554 0.943 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc5c(c4)OCO5)CCO3)C2)c1 1835170374 ZXPDGIJFRMKHMU-QHCPKHFHSA-N 452.467 0.928 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835208407 IPHSELXPLUKIDO-HTAPYJJXSA-N 453.536 0.348 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835641970 AEFPNAZUKBVYJJ-JPYJTQIMSA-N 466.579 0.488 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835765951 RMXQTRRGCFAQIB-RCQWNHEVSA-N 486.635 0.768 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835781586 FWZFJZFIBCTOHH-GVFUYMABSA-N 462.547 0.886 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836165737 AQAVIHWTCNFNPF-JPYJTQIMSA-N 477.562 0.809 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837443886 MIIGNKQGXKDFLW-XUHCNCODSA-N 455.519 0.271 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1837447120 UXSQBNCCGWRXOR-AKSYTGEZSA-N 495.580 0.825 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nc1 1837561440 LNCUWJHCGKLZFU-UUVZMSSXSA-N 455.515 0.930 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838117266 PPODNMBCFILXHU-WZONZLPQSA-N 453.499 0.376 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)CC1 1838774206 OQYAVKZIKHILLX-UHFFFAOYSA-N 455.511 0.893 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1839072836 HZUQEPYRIAOFNC-HTAPYJJXSA-N 455.552 0.947 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424497 NKKGXFJEENUBFP-PGRDOPGGSA-N 460.918 0.902 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486279 RHSSUBCSIZEBCK-RCDICMHDSA-N 454.487 0.016 30 20 JCED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)o1 1839487667 RWTVBRBKRPWNIT-HSZRJFAPSA-N 479.497 0.872 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n1 1839488504 WHOSNDKHENIBNC-DEOSSOPVSA-N 493.524 0.661 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1839655207 LPGWPZRVHXPKTQ-QFIPXVFZSA-N 477.562 0.180 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1840081947 QHFPREXRAKQSTM-RBBKRZOGSA-N 492.635 0.093 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1840164480 LGIGWUMPBVQKPI-FRMGNDQPSA-N 487.619 0.522 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Oc1ccccn1)CCO2 1840426600 FJGXGVNSOHUYIM-MBSDFSHPSA-N 461.515 0.815 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840483048 OAQIPZUFSGYYCP-RORQMLAVSA-N 462.503 0.193 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCOC3)CCO2)C1 1840540833 JYNIBHWHOAGDRS-ADCHYERDSA-N 479.574 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(=O)OC(C)(C)C)CCO2 1840803625 OSMHVJPIFVTBAH-FTVUIBSFSA-N 494.589 0.605 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1840908965 SZZOVYWUWPFFHB-FJFBRFEOSA-N 491.585 0.927 30 20 JCED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 1841983911 HQROWYYCBCLADX-UHFFFAOYSA-N 454.531 0.406 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1842872162 FZLVCDDNFOVBIM-QGZVFWFLSA-N 460.579 0.760 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnnn1 1847684223 DATMMWGHRUGVLM-AABGKKOBSA-N 494.556 0.883 30 20 JCED CCn1c(=O)c(=O)n(CC(=O)Nc2cccc(C#N)c2)c2cc(S(=O)(=O)N(C)C)ccc21 22341582 PUGBDXUYHWKMCO-UHFFFAOYSA-N 455.496 0.944 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccccc2F)c1=O 501766979 SRCXUCNGOFCOAN-INIZCTEOSA-N 473.526 0.800 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3F)CC2)sc(=Cc2ccnn2C)c1=O 502018387 TUTJMHUWLHCOGT-UHFFFAOYSA-N 478.553 0.820 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)cc2)c1=O 590994962 AMJUDAWFKJEZHG-UHFFFAOYSA-N 486.663 0.923 30 20 JCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434349 BQCFJCVGRGKMSM-UHFFFAOYSA-N 454.464 0.557 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(NC(=O)CSc3nncn3C)c2)CC1 729256653 DGMWZWBYDDNSLP-UHFFFAOYSA-N 469.571 0.443 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCS(C)(=O)=O 729672731 FGYSACVACALRSO-UHFFFAOYSA-N 465.572 0.821 30 20 JCED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCCn2ncc(C#N)c2N)CC1 729807311 YUQLRAZGCUDEIE-UHFFFAOYSA-N 461.500 0.768 30 20 JCED COCCN1C(=O)/C(=C(/Nc2ccc([N+](=O)[O-])cc2C#N)[C@@H](F)C(=O)OC)C(=O)NC1=S 814339393 KYOAVMSPQZFSKZ-MNWMYKRDSA-N 465.419 0.533 30 20 JCED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NCCNc1ncccc1C#N 915785684 NBUBHDDUWNNLTL-UHFFFAOYSA-N 458.500 0.569 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H](C)c1ccccc1 917794773 LOTPKOWJPCZYBV-INIZCTEOSA-N 451.552 0.908 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccccc2CN2CCCC2=O)cc1 918816842 AYIRFXWBBHUCJN-UHFFFAOYSA-N 484.534 0.819 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C1CCN(C)CC1 920398708 ISELNIGCPDLANH-UHFFFAOYSA-N 461.613 0.597 30 20 JCED C=CCn1c(-c2cccnc2)nn(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1=S 921047349 XSBISACVTVGUBM-QGZVFWFLSA-N 498.656 0.754 30 20 JCED N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)C2=O)cc1 1139811447 MOHOCOAXBIKHBN-OAQYLSRUSA-N 457.490 0.847 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1-n1cccn1 1303837529 YGARRDGUUYCANG-IFXJQAMLSA-N 459.511 0.959 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1313669337 WDKPOTPXEFZCLT-BRWVUGGUSA-N 455.585 0.070 30 20 JCED COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)cn1 1519183579 MOWOGADSWGKPAD-UHFFFAOYSA-N 477.573 0.918 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1547764883 KZTQWXXVTIBHNQ-LJQANCHMSA-N 485.614 0.900 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)c1 1554796836 NYLQQFOJPPBJOU-LJQANCHMSA-N 456.503 0.940 30 20 JCED CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1613439396 MFNPOGSYEHABFE-VQIMIIECSA-N 469.546 0.985 30 20 JCED Cc1c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)cnn1C 1707028962 PTYSTIOIUJDYKP-SFHVURJKSA-N 462.580 0.831 30 20 JCED C[C@H]1OCC[C@@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCNS(C)(=O)=O)CCO2 1708280777 XNZBZMSGJQXEGR-IIBYNOLFSA-N 476.559 0.662 30 20 JCED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1711273877 JISXXKABEMAQMW-OAQYLSRUSA-N 459.576 0.355 30 20 JCED COCC[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1712327216 KUIYPDCPMBOHTC-QFBILLFUSA-N 456.569 0.138 30 20 JCED CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1728766270 PERNCDAOYFDDHS-YADHBBJMSA-N 475.571 0.988 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1765507495 YSVWUBMPYPJVKV-LVCYWYKZSA-N 498.629 0.079 30 20 JCED COC1CCN(C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1770614918 SXHGZBKOKMIDLW-DOTOQJQBSA-N 469.612 0.506 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777703978 LSBUNXUMSMHKGK-HPTBBYBNSA-N 454.531 0.970 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)ccc21 1779019424 PMPGFAPXFGGRGY-SFFGGSCWSA-N 468.558 0.792 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1781168899 XJPHTSLFWIRFRO-NXMSCROESA-N 494.589 0.576 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)CCO3)c(C#N)c1 1781175578 PHILGJADUMSEGU-RCZVLFRGSA-N 494.552 0.410 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)C1 1783033213 JWISPPSADURCDZ-HSZRJFAPSA-N 455.467 0.173 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1784196937 WJKJBJWZVPJQFM-OKYOBFRVSA-N 495.621 0.524 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cn3)C[C@@H]21 1784479015 SUVRYSOHILISSZ-JEEBJRHZSA-N 456.543 0.550 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@H]4NC(=O)NC4=O)[C@H]3C2)c(Cl)c1 1785153578 VSXJDGAXICPKNY-SDNTUTLCSA-N 459.890 0.403 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785349679 KCRZZQFELRZTDB-KKSFZXQISA-N 456.609 0.687 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCO2)C1 1785623318 OZKFBILUWQTKRB-HOYKHHGWSA-N 488.541 0.135 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789575519 ZELOZJLAQHRKMP-UVUJQTEASA-N 464.526 0.622 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Br)c(O)c3)C[C@@H]21 1791078249 QDRCKOURBZWECB-XEZPLFJOSA-N 451.273 0.836 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792632989 AWNBWJUXQVIMAD-KYHPRHEASA-N 480.562 0.972 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795446427 JVKOKTCEIRVXDF-XAPVIXHLSA-N 491.633 0.130 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CN 1795514202 HMDVVSXCYGHPKA-OYSTVDSJSA-N 450.580 0.868 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)n1 1795598382 PBOKDSUZUUPKJZ-XOIINTDNSA-N 460.491 0.483 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795602604 SSMNPWIGVAMLLK-NDBKNAECSA-N 493.605 0.230 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796074088 AWDYQKBNQQZLCV-RMRDIRSESA-N 451.545 0.421 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798598923 MJKWBZJTOAMZMI-NYCLONFESA-N 472.502 0.683 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799325777 SWZDTLRMUYFZGU-NZGUISNBSA-N 490.532 0.715 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 1799841445 DJBVCDPZPWXRFP-AMVTXUCVSA-N 461.471 0.854 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(C#N)c[nH]3)C4)[C@H]2C1 1800739545 CRVCBNWYDZJGSB-MRTPNAOKSA-N 499.568 0.971 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1ccc(O)cc1 1800774932 SFDMOUQHXKQBKK-VAKZPMALSA-N 487.509 0.636 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2 1800990364 OAXPNWAQWWSBIL-SZGLYPCISA-N 477.583 0.666 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC=O)C3)N(C(=O)OC(C)(C)C)C1 1801102470 MEYNBNIFOMWMHE-JCECYMMASA-N 450.536 0.276 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)[C@@H]1c1cccnc1 1802499897 VUPBBSPKQNNNCJ-BFCUPMKRSA-N 458.515 0.562 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c(C#N)c1 1804093910 JQMGZEHNBWJJSY-KOSHJBKYSA-N 490.520 0.762 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1804191091 WZTHKJJOLSSIDA-KKSFZXQISA-N 464.457 0.964 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1807146798 AFVYRYQWKSHSGE-QFBILLFUSA-N 464.530 0.572 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)ccc1F 1808549010 HMFSWYGWWGOART-SBUREZEXSA-N 478.484 0.893 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2c2cccnc2)CC1 1810329311 PACAVIQCRUNOQF-JYFHCDHNSA-N 495.624 0.950 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1810355995 GXKPOLFFYOQJDL-GYIUOZGZSA-N 495.540 0.870 30 20 JCED O=C(CNCP(=O)(O)O)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1817235504 JJLLSEFBLZNEHS-VTNJTDAWSA-N 452.408 0.839 30 20 JCED C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1821875416 YRMHHSNMUDOGPI-CQSZACIVSA-N 454.512 0.890 30 20 JCED CC(C)OCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828509280 FBBMBCHNIJKGGL-XMMPIXPASA-N 471.510 0.952 30 20 JCED O=C(C#CC1CC1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829202363 IVKLHMIQUQKXBR-AOJNWGRGSA-N 480.565 0.575 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(O)ncn3)C2)C1 1829330164 APTDRCZBZHDKMF-XMMPIXPASA-N 493.476 0.336 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)cc1 1829630041 OEBZITPDXUARCB-RUZDIDTESA-N 492.536 0.201 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OCC)c3O)C2)C1 1829771214 MIMMUJLCGMGCCG-HMLKYZKVSA-N 473.526 0.719 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnc3ccccn13)CCO2 1830662973 YHWNNHSLGOYHAZ-NHVVDLMHSA-N 468.558 0.805 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3c[nH]c(C)c3C(=O)OCC)CCO2)C1 1830941012 HSQBGKCWWSRXGB-KBMIEXCESA-N 489.569 0.927 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)CC)CCO2)C1 1831175016 LXGRMGCSSYKTRC-LLJLJFOGSA-N 496.605 0.827 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)C1 1831386582 AUMVKBZLZMYMPF-MEKIYTOJSA-N 455.511 0.674 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832249430 ZKARRCLWHWBJJO-LJQANCHMSA-N 472.391 0.850 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnccc1C(F)(F)F)CCO2 1832749120 NYXJYOIOEMGHNY-FQEVSTJZSA-N 469.416 0.577 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833428110 NKVJKFUEZKAJCM-KRWDZBQOSA-N 452.559 0.580 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1833478042 ZJAILSUGPZTBKT-OXJNMPFZSA-N 468.595 0.992 30 20 JCED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1)C(=O)O 1834742330 MFFPADZPPHUHNJ-NRFANRHFSA-N 473.549 0.874 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1835682702 RMNGIBFSQWIUQI-QHCPKHFHSA-N 454.531 0.686 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836022435 ZSIULBKVRUMLPW-SBUREZEXSA-N 493.561 0.846 30 20 JCED COc1ccc2[nH]cc(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)c2n1 1836097450 BQQQCRXWNKCPRX-UHFFFAOYSA-N 453.499 0.845 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)CC1 1836764942 VRYKPTVRMUEJMH-SANMLTNESA-N 497.596 0.111 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1837396704 KUQMCQFSQNECQM-DVECYGJZSA-N 457.527 0.824 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1837405668 ZEUOJGCXTWRMAK-AOUJKTHWSA-N 473.570 0.834 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1837446717 NOFLVBUKAXWZFP-AJPHYDNBSA-N 478.590 0.848 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837527693 SXJZKMHKXVJEAS-WVBYBHFTSA-N 472.502 0.557 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1837528411 JLEZHEIVZGXJER-XNFLAMQZSA-N 473.526 0.976 30 20 JCED O=C1Cc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)ccc2N1 1837529202 QBDUZWBGAYZUIL-UXMAWFNJSA-N 486.525 0.780 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838403619 ATTBEVRSPXVMCO-DGEAWOGYSA-N 476.530 0.439 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838418500 BUUHTXFBTLMWGJ-VFNWGFHPSA-N 477.543 0.627 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn(C)c4=O)C3)C2)c1 1838579458 LPQUFXSJSYTOKE-DEOSSOPVSA-N 466.494 0.649 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733186 SCKQGAMKOHAWLJ-FDDCHVKYSA-N 473.530 0.966 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1)c1ccc(F)cc1 1839039808 CJXDPVHUEFSONK-FIKMYACPSA-N 453.536 0.778 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)CCO2 1839043859 XDMMMIIFEWXKME-XMMPIXPASA-N 467.522 0.171 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839101262 LTFIZCACONBXPZ-DVSDUFGPSA-N 453.511 0.717 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1839174034 BNELHGWYGNLGAT-FQEVSTJZSA-N 452.895 0.709 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)ccc1F 1839186547 BBGOCXWIXYTNRP-JOCHJYFZSA-N 486.460 0.501 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191113 VBQLPHAMHJBOBW-BJKOFHAPSA-N 479.574 0.930 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(C#N)ccc5F)CCO4)C3)CC2)CC1 1839421394 NEUBXIDNLWOYEU-XMMPIXPASA-N 485.560 0.547 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c(Cl)c1 1839424412 HSTDRAZYJRDWCP-RXVVDRJESA-N 481.958 0.859 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839513557 PBWIIUXIPBKNGM-TWCYHLQGSA-N 499.524 0.934 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn4c2OCCC4)CCO3)c1 1839518451 NQSCBRFRXNMTKB-QHCPKHFHSA-N 451.483 0.921 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839885733 OCEUBHNWWCNHGU-YADARESESA-N 496.605 0.829 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1840159998 UHXQAQRJNHMGBX-FOIQADDNSA-N 456.586 0.407 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1840163105 DDUDYSNFIQLCOG-BFUOFWGJSA-N 460.549 0.618 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1840165791 KKCIEZTWGXCNNV-IVZQSRNASA-N 459.524 0.504 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)C1 1840167793 NIWMCMQPLOBNHI-VWLOTQADSA-N 496.568 0.439 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)c(C)n2n1 1840814038 LEACYZQCHOVMLT-QFIPXVFZSA-N 453.503 0.505 30 20 JCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c1Cl 1844734558 PCCZABUDFMQGTH-UHFFFAOYSA-N 450.948 0.759 30 20 JCED CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 104804733 YVFXRKHXVMBLBA-MRXNPFEDSA-N 474.630 0.452 30 20 JCED CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480182545 NGSWJOVHFXKJFA-MRXNPFEDSA-N 455.536 0.889 30 20 JCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2)c1 518249609 SCCGRLSSHIZNSK-UHFFFAOYSA-N 491.504 0.819 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CC(N)=O 524281184 KPZHKUFOHKFTDV-UHFFFAOYSA-N 460.581 0.163 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)CCC)CC2)cc1 642975627 OSXJZQYTSWOYDY-UHFFFAOYSA-N 486.616 0.752 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)n(C3CC3)c2C)c1=O 725764026 FKQFTGYVRSPODV-UHFFFAOYSA-N 458.584 0.965 30 20 JCED CCS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 726401802 SKIZSISBFVAVCD-AWEZNQCLSA-N 455.562 0.183 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccccc2C=O)CC1 747901200 ZMNJUFWGADVYPU-UHFFFAOYSA-N 471.491 0.826 30 20 JCED CCOc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCN(CC)CC2)n(CCOC)c1=O 916199870 LIQHROPROKAYKO-UHFFFAOYSA-N 470.595 0.622 30 20 JCED CCN(CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)S(C)(=O)=O 918465860 UHRGYILLGZOZIH-XLNRJJMWSA-N 487.604 0.226 30 20 JCED Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)n21 918872058 BNVZIUFXIUKMPV-UHFFFAOYSA-N 466.479 0.672 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1298012224 UVQCMXRXKPGGJX-SFHVURJKSA-N 489.602 0.925 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1305785998 STYJVXDWMQDERF-QGZVFWFLSA-N 466.612 0.264 30 20 JCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1467706810 JVXVWSQABITXQQ-KSSFIOAISA-N 458.544 0.493 30 20 JCED CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1541242101 UUDZWEQLMKLNTJ-LJQANCHMSA-N 495.650 0.852 30 20 JCED N#Cc1ccc(OCC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1Br 1546242088 QMUQNUKNTQEPHZ-HOTGVXAUSA-N 458.334 0.314 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 1554356604 PUPYSRJUZZKOTC-CVDCTZTESA-N 487.630 0.991 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CCO1 1554451507 IJTFGACUHMDZIC-UTKZUKDTSA-N 458.544 0.548 30 20 JCED COC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC 1730459320 IMSRDALRNKNSQV-HZPDHXFCSA-N 495.581 0.887 30 20 JCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1747195051 SWUYMVGNLKHZJG-UXHICEINSA-N 458.611 0.934 30 20 JCED C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 1749245016 YHOGXOKTEFBDRI-HKUYNNGSSA-N 474.587 0.991 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCN(C)C1 1761234318 KHVNOXUGCSEMFI-QHCPKHFHSA-N 470.553 0.820 30 20 JCED CNS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1769374722 IVYHUIDQHFHLFG-IBGZPJMESA-N 463.543 0.443 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1778057436 UGZYUCQASQVTMH-BWOIMZOPSA-N 456.591 0.937 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1779338722 YTXQXNUCCGZOAK-MTNXABLMSA-N 469.579 0.917 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC)c(NC(C)=O)c3)C2)C1 1780208594 AVLQMJQOCCXPSG-WEHRJKGCSA-N 470.526 0.956 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2 1780683980 JVXZOOGMVNQLTR-QZTZHPFYSA-N 492.621 0.680 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CCO3)cc1 1780699984 KOKDAOAWBYDSCZ-XLNZFTOWSA-N 497.577 0.182 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)NC(=O)OC(C)(C)C 1781051764 SHZANBIMXMXARF-DWKCODDLSA-N 466.579 0.399 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCOCCOCCOC)C1 1782069055 AHZJNPDEBFQTFX-PQNGQFLHSA-N 486.606 0.788 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)COc5ccc(O)nn5)C4)C3)c2c1 1782676576 KREPXRNAMSYCPA-JOCHJYFZSA-N 463.454 0.453 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1782892902 BLHOVARFXPXURD-DMPWYTOCSA-N 486.635 0.896 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)CCO2 1783051706 KXWFWDBRANURQT-BXKMTCNYSA-N 473.526 0.997 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3[nH]nc(Br)c3c1)CCO2 1783565476 UWWJMTVSPIHDPZ-IBGZPJMESA-N 461.272 0.857 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783635380 NLNCFHQQJNPLHI-SPOLIRPYSA-N 476.574 0.409 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c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c3ccccc3C#N)C[C@@H]21 1790177292 QASCVEWXMWNTOA-SXKCCIOGSA-N 488.541 0.760 30 20 JCED CO[C@H](C)[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)N(C)C(=O)OC(C)(C)C 1791078874 CWGKORJPQMZIJV-WDHIOAMHSA-N 481.546 0.325 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]2C1 1791143055 MUJXSPZBUABRCZ-XSDIEEQYSA-N 486.606 0.235 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN)C[C@@H]21 1791166964 ARMPJKSKRGKOCI-BURNTYAHSA-N 485.585 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3cccnc3)[nH]n1)C2 1792489933 DDZRXHCPOMQOCU-GWUNTCDZSA-N 450.499 0.533 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(Cc1ccccc1)C(=O)OC)C2 1793347376 BZZGVELISCTRIW-RPUPUWCGSA-N 457.527 0.883 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O)c1ccccc1 1793834829 DHYBXAUOHOJBEN-VQQMMKBISA-N 452.511 0.325 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(Cc2cccs2)C1 1793972813 BXTMGUGJGXZHSF-JUZZZCAGSA-N 459.568 0.725 30 20 JCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)C3)c(C(F)(F)F)n1 1796458578 KUKWMQRNOJXIRY-ZSBIGDGJSA-N 487.402 0.664 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)n2nc(C)ccc2=O)c(C#N)c1 1797909164 SBJIHWNZUNQCAD-IRJINJETSA-N 493.564 0.999 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1c(C)cccc1C 1799282678 UJLRHJHQGGOWIZ-NOAIIALASA-N 454.527 0.690 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 1799331648 YGTSJAUFVOULLW-MVDLGSMLSA-N 492.573 0.118 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1799365996 ZVMAMPPCKUGGHT-OGJJZOIMSA-N 455.552 0.443 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1800909346 YKFTVNAYSDLHNU-OGJJZOIMSA-N 483.562 0.624 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2)n1cnnn1 1801438878 GEFAVBYVTRYWKE-RMIITELYSA-N 474.319 0.772 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1802084938 FSJAZBKTAVLSJM-FSDCSDTHSA-N 452.508 0.336 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1802490976 WROBOGGHGJYQJA-KUJMUKQQSA-N 466.498 0.520 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)c(C#N)c1 1804354427 ONVFXLHGRXYZPV-DHJUGAMNSA-N 490.520 0.808 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1804466108 XWJCWULUYZCBTI-DINDUCCOSA-N 488.541 0.086 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810566249 QOODIQFYIYJAPI-LGMFEZOGSA-N 458.563 0.710 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671719 NCVFAOFIOHMDHR-DGCLKSJQSA-N 494.526 0.600 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N[C@H]2CCc3nc(NC(=O)C4(C#N)CCC4)sc3C2)n(C)c1=O 1828007936 JBLZMRBCNFDCJK-LBPRGKRZSA-N 496.553 0.196 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)O)C2)C1 1828584146 WYWPKDOGBSZKAQ-IECBHUPTSA-N 457.527 0.858 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1829266281 RREJTQCUJPVWND-HFZDXXHNSA-N 481.597 0.708 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1829335196 WUCKPKJEIGWPHS-XMMPIXPASA-N 493.476 0.336 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829372003 XRLBBUBFPRUKBX-YADARESESA-N 467.526 0.878 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)C1(O)CCC1)CCO2 1829748540 ZLBSLCDSRJALTM-AXHZCLLHSA-N 493.601 0.911 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1829770989 AITCIKGLTDPDQM-IBLIISRWSA-N 480.525 0.196 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)cc1C#N 1829961278 KPQIHIMFDBJGMG-UQBPGWFLSA-N 484.553 0.942 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1830465794 RRJANJBAKAGWEU-XMMPIXPASA-N 485.924 0.463 30 20 JCED N=C(N)SCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830466546 FGOPCNDRPXOFBT-HXUWFJFHSA-N 450.948 0.775 30 20 JCED Cc1cc(CCCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c([N+](=O)[O-])cc1F 1831112963 DKTCPUDPAGRIGO-QHCPKHFHSA-N 491.472 0.909 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1831398559 HAGKNIMSUONLGX-WAIKUNEKSA-N 454.483 0.444 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[S@@](=O)c3ccccc3)C2)C1 1831401876 HIYGLBVKEHYJDM-ZKTFDKQASA-N 462.568 0.677 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1831437797 GPAIUDLCZTYOBY-IECBHUPTSA-N 497.589 0.670 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831449720 PIYIWNCYKMCJEU-FDDCHVKYSA-N 477.583 0.628 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831666433 NJUJUWLJPANTFV-IBGZPJMESA-N 461.540 0.948 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1832000177 JCAAQBXLVKSHBO-NTKDMRAZSA-N 490.557 0.859 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832799689 BYBZXSSXMLMIGX-BEFAXECRSA-N 452.468 0.049 30 20 JCED Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1C(F)(F)F 1833326417 OPMVKDRYGBYSEJ-HTHFWCIQSA-N 486.495 0.981 30 20 JCED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn1 1833815701 SEAODPUFHOMCGS-QHCPKHFHSA-N 461.482 0.917 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834391969 ZQNSQSKFKWQWCE-GAJHUEQPSA-N 477.562 0.960 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834714659 GRLRNRSFARPTHY-UHFFFAOYSA-N 484.605 0.094 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCCCC1)CCO2 1835134572 LJOFBKQXFDBFDR-HSCPNVOASA-N 466.579 0.848 30 20 JCED CCOC(=O)c1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)ccn1 1836167353 WMGQHZADNITDMI-UHFFFAOYSA-N 456.499 0.532 30 20 JCED C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836321951 RPBURMQXRPBNEX-YJYMSZOUSA-N 455.437 0.637 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837443772 JARUXQDBYLVDMG-JKJLQIMHSA-N 458.563 0.689 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445151 HAQWMADQVVIQCS-NHMXVPMISA-N 481.594 0.828 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1837529760 YBCFKAYWABYSNP-DTXYYNOZSA-N 477.543 0.995 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1 1837530948 ADUCUBSFLWFAFU-RRPYSREYSA-N 463.491 0.084 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)N1CSCSC1 1837573553 FZONLSHRXFSLIE-QRWLVFNGSA-N 465.601 0.999 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)CNC(=N)N)CC4)CC3)c2c1 1837845064 ZUJIAKQPJSTWNZ-UHFFFAOYSA-N 452.519 0.530 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838073063 VKXAEVCJWYYEGL-QRQCRPRQSA-N 477.518 0.102 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1838435404 SYSXGBLXRPHQLL-JXFKEZNVSA-N 454.568 0.937 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)c4ccco4)C3)C2)c1 1838578711 NKFUQPPOQAWADT-REWPJTCUSA-N 455.467 0.963 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Cn4cncn4)C3)C2)c1 1838582301 JOTFZFHYNSHBPW-SBUREZEXSA-N 468.514 0.565 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nn1 1838758818 OKYJRROQOSCDIX-NYNQOQISSA-N 458.519 0.815 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccc1Br 1839026587 JYTMAGZFOLQWGN-HXUWFJFHSA-N 465.300 0.916 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1839174635 OQEHCSXTFLSUOG-QFIPXVFZSA-N 457.487 0.537 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1839176225 COBOPIWRLRRTLI-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1839176227 COMGHUSUZMZNDI-QHCPKHFHSA-N 471.514 0.617 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(=O)oc4)C3)C2)ccc1F 1839186241 ICBFHUVZISILGN-HSZRJFAPSA-N 455.442 0.963 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)ccc1Br 1839400951 JXLBAGVSJNIOOG-GHTZIAJQSA-N 475.343 0.919 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1839421755 JSVRUHYIODLUCB-JOCHJYFZSA-N 471.445 0.342 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)c5ccco5)C4)C3)c2c1 1839486288 RROGDIITSLUGER-NFBKMPQASA-N 465.466 0.831 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1839553082 ACZQJTVYMVVNRN-KSEXMQBYSA-N 471.489 0.402 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839667997 UPRYKRIPCXCLDI-MHECFPHRSA-N 488.541 0.166 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1839844616 PCEBHPVXDWWXBE-BSRJHKFKSA-N 469.579 0.931 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O1)CCO2 1840016476 GICNCOMYKFKGBQ-FAUQUUSTSA-N 499.630 0.786 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840037806 RROXYIPUARJGOY-QRRBZYCPSA-N 483.565 0.926 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Br)ncc3Cl)C2)C1 1840041233 ZBKFBRWIHXUZDW-GOSISDBHSA-N 486.706 0.656 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1840059256 AFCWOGOXBWHLEC-STSQHVNTSA-N 465.547 0.227 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1840167742 KCCNPTGETVUNGU-DEOSSOPVSA-N 456.543 0.792 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3cncn3)CCO2)C1 1840421193 KWUDPGVUPBGGAZ-IXFSTUDKSA-N 492.577 0.765 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1840844231 KLXOWGZTZJXBBB-KJOQGJGQSA-N 499.564 0.628 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840909110 MYGMZAZNMMBKFS-UUOWRZLLSA-N 485.541 0.873 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1840913465 ADKLTZLLONNSEV-HZCFWTAGSA-N 492.573 0.048 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542508 CHTSWBPAKFHMSP-KRWDZBQOSA-N 461.563 0.945 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842815148 FJHAVQJLLUXUQI-HJPURHCSSA-N 459.547 0.867 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OCC)C1 1844160979 MPKHRMDYEFIIHH-DOQJBMMISA-N 466.535 0.724 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1ccncc1=O)C2 1847082341 TZZMIVALVWMJGD-WAIKUNEKSA-N 457.531 0.916 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2Br)c1=O 489198119 UXJTZBGGAZABHB-UHFFFAOYSA-N 491.411 0.644 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1F 514835875 UPXVVFRAHHMHGO-UHFFFAOYSA-N 454.458 0.934 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc4c(c3)OCCO4)c2=O)CC1 518716380 VRDCWWXXYPNXPF-UHFFFAOYSA-N 466.563 0.729 30 20 JCED Cc1ccc(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1S(=O)(=O)NCC#N 561273279 YBVBDOGJWBPRFH-OAQYLSRUSA-N 455.496 0.782 30 20 JCED C=CCNC(=O)[C@@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 916918058 PKJXXDKZQVKZAJ-INIZCTEOSA-N 459.528 0.538 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCOC)c2=O)cs1 920395660 ZYKCPLJXMRUARM-UHFFFAOYSA-N 461.613 0.242 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1297958043 ZCGYOHZOTRKWDA-ROUUACIJSA-N 458.567 0.072 30 20 JCED COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301442121 QORMESUTYURKTB-QHCPKHFHSA-N 455.563 0.814 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOCC1(C)C 1301968737 OYMVPPFYUTYOCP-IRXDYDNUSA-N 469.612 0.318 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)Nc2ccc(F)cc2)C1 1302478562 JQOZKWSZBSBABX-OXQOHEQNSA-N 495.512 0.831 30 20 JCED Cn1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)n1 1314906239 FXZKZQTYSPKOAW-QGZVFWFLSA-N 462.580 0.717 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 1359402341 XFCIHQKCQGXLMO-UHFFFAOYSA-N 471.587 0.462 30 20 JCED CC[S@@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1503297643 PUIGTIUYHPBHAH-PEGYKEAPSA-N 458.610 0.510 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1510295342 YNMBWYPMUJJXQV-CVEARBPZSA-N 470.621 0.592 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C[S@](C)=O)cc1 1541945963 NTSJTDMBIOILCL-XGODZNJDSA-N 466.589 0.544 30 20 JCED CCO[C@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCS(=O)(=O)NC)CCOC1 1547915641 QJZLGPCVGNSUFU-JOCHJYFZSA-N 489.602 0.678 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1589296703 XFKJJIDSDUBSAR-NSHDSACASA-N 472.369 0.453 30 20 JCED CN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617607690 OEWNGXYSAVTWJL-UHFFFAOYSA-N 460.502 0.607 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCOC1 1692812786 QVNALFZEFDAISL-JTSKRJEESA-N 489.602 0.234 30 20 JCED CCN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)S(C)(=O)=O 1695745882 OBXSOALFETVHSC-IAGOWNOFSA-N 464.596 0.077 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1706747673 OZEHFICTABBRAU-CVEARBPZSA-N 457.626 0.398 30 20 JCED CNC(=O)c1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c1 1711332690 PVXHDSOHEPOFOT-UWJYYQICSA-N 491.549 0.461 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc2c(c1)OCCO2 1741945326 SOJZMMKSKSWWBJ-GDBMZVCRSA-N 462.532 0.631 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1747419275 KDSSWNHVHGIVGW-INIZCTEOSA-N 459.532 0.377 30 20 JCED COC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1748337677 JCZXKLQLUVOBIZ-SCLBCKFNSA-N 457.532 0.809 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)NC(=O)c4cnccn4)C3)C2)c1 1779180490 PJYNTIFMUYGMOB-FYSMJZIKSA-N 478.509 0.619 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1779418750 ZNQQZNASNNYQQV-OQOCAEIUSA-N 452.508 0.482 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 1780785147 KCNICFFNFWWUOO-YBJWPOLQSA-N 481.590 0.814 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780939395 ZBQDFXUCSXOCRF-IBGZPJMESA-N 454.499 0.933 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171163 KMSDBCMESQJHMQ-AOMKIAJQSA-N 478.571 0.267 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1783199079 GOZZDWZBNIBTFB-MDOVXXIYSA-N 486.541 0.208 30 20 JCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]32)C1 1783469507 QPQGGNDUHRMIFP-DKIMLUQUSA-N 464.563 0.701 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783501759 HLCIXLCXCAOGNA-ZJOUEHCJSA-N 458.584 0.966 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565059 ICUDPLOFPBLAQK-FCHUYYIVSA-N 467.494 0.644 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1783766197 GGQSKPXBAPSKMN-QRWLVFNGSA-N 459.565 0.330 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)S)C3)C2)cc1 1783888836 MNTLZTRCHLRUFT-FTRWYGJKSA-N 455.602 0.810 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)CCO2)C1 1783896312 YKTLTRAMLJHNAI-VLIAUNLRSA-N 468.576 0.900 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4ncn(C)n4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784086724 NVGOVBIDZNGMLV-KSFYIVLOSA-N 460.535 0.824 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1 1784411545 IYHVLAHFGBAOQM-FJIDUMEYSA-N 466.579 0.962 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)N4CCOCC4)C[C@@H]32)c(O)n1 1785773372 BFYQLVVAWXFKLT-VHTOSUDKSA-N 474.558 0.150 30 20 JCED C#CCCC(=O)NC1(c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)CCC1 1786788739 ZQTOUVNWYBTSRN-UHFFFAOYSA-N 462.510 0.981 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787386900 HPGYFJVJHJYKMX-QRFRQXIXSA-N 476.493 0.979 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](CC)NC(N)=O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1787410721 SPMOLZQPZGVIJU-OYSTVDSJSA-N 493.605 0.979 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788109327 INDRKWZEAVCUQP-WNHJNPCNSA-N 457.593 0.229 30 20 JCED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788110992 FEXNTHGKHWNCII-UFYCRDLUSA-N 453.605 0.831 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1789950166 UHWWJECYVGUAMV-UFYCRDLUSA-N 469.579 0.602 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1 1790270688 WSSZMQQIYNOVCJ-QESAQDPVSA-N 471.510 0.955 30 20 JCED CN(C(=O)OC(C)(C)C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)n(C)n1 1791075767 XDONEUOPRRJSJK-ZOBUZTSGSA-N 489.529 0.473 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN)C[C@@H]21 1791166966 ARMPJKSKRGKOCI-TUFLPTIASA-N 485.585 0.932 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(C)C(=O)CC3)C[C@@H]21 1792261748 NVCXRAZRIDVWPW-BMFAXAFESA-N 489.573 0.491 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1792451205 HBHQIJULUPWNDG-RVDAZCDBSA-N 463.575 0.997 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)C1 1793257610 MVVCJVIESADYMY-JFQQFOBUSA-N 475.586 0.997 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)C 1795713227 HNVQWBANYOFNJD-DMUMMCEESA-N 450.580 0.881 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)N2)C3)c(C(F)(F)F)n1 1795994926 LMWDOJCDFBLONZ-YHYOWMERSA-N 451.405 0.454 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C1 1797120348 OWPCWSBQSHHJEC-RVDAZCDBSA-N 461.559 0.607 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC 1797586581 COSLRNQSRUAHLG-FSNPWBFUSA-N 498.577 0.500 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 1797710858 OCWIQHUHMIBCAG-JSJNYSNDSA-N 456.543 0.653 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)cn1 1797740959 JDKJXSBBOUQRGP-SISPWIDOSA-N 477.587 0.301 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797784854 QZTAOCPLYZUEKV-HATOLVCRSA-N 493.601 0.816 30 20 JCED CCOC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)ccn1 1797815257 MVXIMYMLXOEQSS-GTZTZOHHSA-N 474.514 0.991 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797839209 TVDSTNUDRPSZGM-ZOBZQBTRSA-N 490.557 0.658 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)cc2nn[nH]c12 1798616405 DOBOHKKNYFTSNV-JCXHYCBLSA-N 458.906 0.673 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2)N1CCN(C)CC1 1799179648 RRGGNJCOEPZXDD-UWSZBUKDSA-N 453.587 0.716 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1799350191 LEXXLUAYSZYJJC-JCECYMMASA-N 455.552 0.443 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)C1 1801052308 KIYCGXQSJQRNRG-DSZPWCOXSA-N 493.605 0.420 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)OC)C2 1802138809 WBPZLMXHYMCXHV-FVSFCRNKSA-N 497.614 0.952 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2c2cccnc2)c(C#N)c1 1807194527 RJLJBOJFHCRZMZ-UTSGNWPNSA-N 478.553 0.803 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2c2cccnc2)c(C#N)c1 1808172059 DKEKOXXXGYWVSR-FDDCHVKYSA-N 460.498 0.897 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810564835 DZQXFJIMGXFACF-FUDKSRODSA-N 470.570 0.937 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811181757 JVXGAERHEWWTDF-BDGDHSELSA-N 463.498 0.149 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)[C@H](O)N4CCOCC4)[C@@H]3c3cccnc3)c2c1 1812070500 JTPYDZXOMQQWBP-ANJVHQHFSA-N 489.536 0.800 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)[C@H](O)N4CCOCC4)[C@H]3c3cccnc3)c2c1 1812070503 JTPYDZXOMQQWBP-OEOAZWSVSA-N 489.536 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CNC(=S)NCC)[C@H]1c1cccnc1 1812329662 VEQLMOLSGMJPOW-UXTXJKSZSA-N 458.588 0.430 30 20 JCED O=C(CN(CCO)CCO)NC[C@@H]1CCN(C(=O)/C=C/C(=O)c2cccs2)[C@@H]1c1cccnc1 1812715571 VYHCBNIHUCWBKN-QINKANGISA-N 486.594 0.875 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CNC(N)=O)[C@H]2c2cccnc2)c(C#N)c1 1814228441 SETHQBANUHSHMY-HTAPYJJXSA-N 450.499 0.879 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCCNC3=O)[nH]n1 1814438498 PAUBHPWHRJRLKG-QWPQOLDESA-N 480.529 0.904 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccn1)CCN2C(=O)OCc1ccccc1 1828683942 TXJLRRPEKUBBPW-DEOSSOPVSA-N 477.477 0.630 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=O)N(C)C)C2)C1 1829261710 VXZQZYCZZKRLQS-QHCPKHFHSA-N 455.515 0.343 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)cc1 1829631368 IHFPNEUXLHIADT-HSZRJFAPSA-N 467.482 0.462 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCn4cncn4)C3)C2)cc1 1829635573 LDGSLUSRTXKITB-QHCPKHFHSA-N 452.515 0.629 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O)CCO2 1829692025 QXLLSUIYYLYIFG-OWAUWMPXSA-N 493.601 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3COc4ccccc4O3)C2)C1 1829762550 LOOHEZOGEJLQJH-VUCTXICCSA-N 485.537 0.531 30 20 JCED COc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830226764 AHUJLLYEAQYIFY-DEOSSOPVSA-N 474.558 0.812 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1830641169 RWFMRVXYKOCTLF-XMMPIXPASA-N 467.526 0.928 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)C1 1831391800 VZORCHNVPQWYLO-KOSHJBKYSA-N 458.511 0.843 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1831426189 KKAONCLYSOCTPW-YCRPNKLZSA-N 455.458 0.905 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1831998143 JYUDWIFUXGOUQH-QMHKHESXSA-N 491.545 0.722 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1832000820 YSFGXRAURVBEAT-JBLMXEMSSA-N 481.546 0.943 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1832456887 BTSHNOUDTDBVOA-NRFANRHFSA-N 459.528 0.079 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1833478046 ZJAILSUGPZTBKT-UZLBHIALSA-N 468.595 0.992 30 20 JCED CCc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1Cl 1833593656 ZRHHMEWODIYLMF-QFIPXVFZSA-N 480.997 0.988 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833620767 IATZESSRYYJVEM-AQPAOHHBSA-N 481.557 0.809 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833787182 ATSKYICTOSQEFR-VRRXETNQSA-N 467.910 0.729 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1833864898 UJRMFYOHIXLQIE-QFIPXVFZSA-N 457.462 0.823 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CCc3ccc(O)nn3)CC2)CC1 1834717093 MVEXWLPIVYBIEJ-UHFFFAOYSA-N 471.606 0.968 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)CC2)CC1 1834761366 ZORNNOSROOYOCL-DEOSSOPVSA-N 475.590 0.079 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835365733 TYXLFQAKDCRXAZ-VGOFRKELSA-N 482.534 0.203 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642053 GXDVVDLIWYMTRA-PMAPCBKXSA-N 468.595 0.897 30 20 JCED COc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835667332 CSSRDAOMFNPULG-DEOSSOPVSA-N 474.558 0.812 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(C)C)C(C)C)CCO2 1835896251 BTQMKWOYTGNLKX-NFBKMPQASA-N 453.580 0.975 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5nnc(Br)n5c4)CCO3)C2)CC1 1836256132 ARKHDRPWJKRBFU-HXUWFJFHSA-N 489.330 0.866 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1836520234 CUYGYUNXNWNULS-FEXYSFOSSA-N 480.539 0.559 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](C)S)C4)C3)CC2)CC1 1836727548 LJIFXIHTFGMRRD-MHECFPHRSA-N 496.674 0.484 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837401244 WJANFPPIGRLSKO-SGTLLEGYSA-N 461.441 0.467 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1837403925 WGCSKTJEKLYJHM-GBXCKJPGSA-N 475.590 0.362 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837443575 GLDDOYCCYPGSJA-IOCYEQIYSA-N 460.575 0.613 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccccc1=O 1837444018 ORKMAEKNHAKZKT-JGFRAARKSA-N 459.547 0.337 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837565727 YRTSJLJYBYLJHB-NYNQOQISSA-N 452.471 0.740 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)N3CSCSC3)CCO2)C1 1837569119 GVAKSIWBBFOOOC-QKLQHJQFSA-N 457.618 0.524 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5n(n4)Cc4ccccc4NC5=O)CCO3)C2)CC1 1838442350 DDRLZIXFLIWWSK-VWLOTQADSA-N 490.520 0.871 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838604646 CTODHDLVHWXOLC-OAQYLSRUSA-N 493.467 0.960 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cn(C)nc4OC)C3)C2)c(C#N)c1 1839131532 JQQCTYXWRDTDDW-XMMPIXPASA-N 483.525 0.622 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840089321 RNBYBCHQMNQHAN-QRQCRPRQSA-N 461.519 0.870 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1)c1ccc(O)cc1 1840221891 QWOVGEVZFPWEGJ-KOSHJBKYSA-N 468.510 0.222 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)CCO2 1840344598 LBVDQGIBMXOQKV-YHEJKZAPSA-N 497.618 0.620 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccc1)CCO2 1840900110 IVHQHTXISFOGOF-STISWTSRSA-N 484.553 0.120 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1845209678 BTQIVUFFCQMIPD-QZTJIDSGSA-N 483.525 0.659 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2)C(C)(C)S 1846301369 ADQLEAAVCULSKH-DZGCQCFKSA-N 471.624 0.384 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2)C(C)(C)S 1846301513 RMCBCZDQQGIGAB-CQSZACIVSA-N 494.551 0.516 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)CC1 22811815 CCTGIFBZMIURPI-UHFFFAOYSA-N 486.598 0.814 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)c1=O 25521489 BUXJIOKLKWYVSE-UHFFFAOYSA-N 477.543 0.213 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 502545493 JHGHYHIMMCCCPB-LJQANCHMSA-N 450.561 0.832 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cc2c1OCO2 590913575 HUSULLHBWLJKRT-UHFFFAOYSA-N 471.535 0.665 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc([N+](=O)[O-])ccc3OC(F)F)c(=O)n2C)CC1 604447866 LPSZSLLQEPVKRJ-UHFFFAOYSA-N 493.492 0.624 30 20 JCED CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726404419 XLAPVMYHFDXUJC-PJXFJRINSA-N 489.579 0.909 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 728533508 LNGPFHFCWWIITH-UHFFFAOYSA-N 460.581 0.985 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(C)c3C)c(=O)n2CCOC)CC1 731203812 YHNZWTXYWMXLNC-UHFFFAOYSA-N 454.596 0.840 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1CCOC 838270774 DAENZRHVSCNRLB-UHFFFAOYSA-N 451.552 0.830 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 858005247 GBLJYXNUUGHQAN-MRXNPFEDSA-N 457.512 0.282 30 20 JCED CC(C)[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 877729984 IMEBYINUXYDDCP-LJQANCHMSA-N 486.554 0.432 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 913731397 GWYMOQAVUVKLKB-PBHICJAKSA-N 478.571 0.795 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(=O)n(Cc4ccccc4)n3)CC2)o1 915377055 NKIARFVMTLETKK-UHFFFAOYSA-N 462.466 0.965 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1C 917352867 BYSSXXSTMGEYGD-UHFFFAOYSA-N 451.289 0.857 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1CN1CCCC1=O 1288870097 MMRQVBLVCNAGRD-QFBILLFUSA-N 487.586 0.788 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 1302469542 QSUJRPCBCQIGSM-WMZOPIPTSA-N 457.560 0.800 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(F)c2)C1 1302484592 PJMHXVGEAJMQCP-IAGOWNOFSA-N 450.496 0.527 30 20 JCED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cn1 1326932256 UZHJOOBZEVVTMS-KGLIPLIRSA-N 463.545 0.840 30 20 JCED N#Cc1cc(Cl)c(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 1629841145 PZBPJZRTVXJTJH-CYBMUJFWSA-N 459.355 0.926 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690219707 JUJRYNVLPDFKCF-UTUOFQBUSA-N 463.358 0.732 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C1CC1)N(C)C 1692796774 SLRLQEPNQYAZBZ-JCGIZDLHSA-N 450.613 0.405 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)CC1 1706003309 VBYNXNBTXGSINZ-UHFFFAOYSA-N 485.614 0.994 30 20 JCED CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1722911163 KOJUAIHQYOHXRI-OAQYLSRUSA-N 459.576 0.718 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(CC(F)(F)F)CC1 1741943849 IQIBKPPFAGMXLG-UKRRQHHQSA-N 479.529 0.891 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1747526359 MJKCZWHTGVLYBN-HTAPYJJXSA-N 460.558 0.899 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1769820225 VLUYGCQVOPQYBZ-KNQAVFIVSA-N 475.571 0.856 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1778080839 OWJIUNDIAOMEPG-SAHWJRBASA-N 464.563 0.984 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1779337986 FYSFJBQSCLDUAG-HOOSLVGPSA-N 490.626 0.979 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)[C@H]2SC(=N)NC2=O)CCO3)c1 1780173678 AQIPFDCJJGGYTL-OLPMXTGOSA-N 471.539 0.813 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)C2)C1 1781387591 VOOPJXWHUKFSMM-WXVUKLJWSA-N 476.574 0.601 30 20 JCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1782185620 XAUUUQWSWMAHQS-FQSKDFRHSA-N 472.608 0.587 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)S)C1 1782187311 VIIOFEHCEARRTG-DBXWQHBBSA-N 462.609 0.515 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)O)C2)C1 1783523147 WGXMUULHODAQFM-XCGNWRKASA-N 484.550 0.003 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](NC(C)=O)c3ccc(F)cc3)C[C@@H]21 1783531216 HWRZBFQXUFZXNN-XVNMDNOCSA-N 486.544 0.841 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1783921753 SBRNFYDQEYVCGO-HRAATJIYSA-N 473.592 0.720 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)COCc3ccc(OC)cc3)C2)C1 1784096721 XUDKQCZIDUZDRE-XXXZYALBSA-N 457.527 0.900 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C[C@@H]21 1786860205 ZYISYAWZWBRQSO-LSBAASHUSA-N 497.640 0.883 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1788573639 DITYUBVNWHMBDJ-DKIMLUQUSA-N 476.599 0.444 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3I)[C@H]2C1 1788900013 NFIZEAFUTMHNQK-ABHRYQDASA-N 486.310 0.646 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1789570765 SHCMYMLCPKHJPX-CAXGVCPASA-N 455.540 0.954 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@@H]21 1789912476 ROSHGQCTZJOOMT-FCMAGTKHSA-N 473.574 0.123 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc(Br)nn4c3)C[C@@H]21 1791075929 FHMRDWQJDHEPRI-IHRRRGAJSA-N 476.287 0.173 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792285091 MNQGBLFIHNZJDO-HAGHYFMRSA-N 487.557 0.506 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)[C@@H](O)C1 1792450882 IEQMMQGAIXCCOL-OREBXVKISA-N 450.536 0.498 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1792529547 RTRBEYWAWQSSLT-DURIQHOJSA-N 461.559 0.873 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793083316 NKQNDXHZGMGPAE-KYHPRHEASA-N 457.593 0.771 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1793387960 WVYJUGSHJZZYDU-XRGQIBNMSA-N 471.620 0.902 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)c1 1794321272 UKMJJQZWRSXQRA-OPMZPASUSA-N 486.525 0.942 30 20 JCED CN1CCCN(c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)c([N+](=O)[O-])cc2F)CC1 1795084285 UCDUXQVDBHLYEW-MFKICJERSA-N 488.520 0.993 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796185757 KXKZDAIKLSWPNU-QKPAOTATSA-N 483.529 0.586 30 20 JCED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1797965385 QSLPCFFZQIJUFN-RMHZUWNSSA-N 483.447 0.326 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 1798695775 KINYDOHFFLJAJY-UKBAYJJMSA-N 473.530 0.725 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799325942 ASQSBQDGPIBTRK-WOUAJJJCSA-N 476.505 0.673 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1799390555 ZHGRYTPKNQHBLG-KCTHJMFYSA-N 461.519 0.383 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc3nnn(CC)c31)C2 1800451370 YEHJOKXTPRGIDH-RCJHGTSTSA-N 472.546 0.355 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)C(F)(F)F)c(C#N)c1 1801034164 BNRRHUXWSSMJHG-CCWDJLKJSA-N 468.432 0.377 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)C=CC2=O)C3)N(C(=O)OC(C)(C)C)C1 1801103162 FWNZDZQTUIBIEI-DLRJPAPCSA-N 488.541 0.067 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1808405842 OTOULFPHPACEIN-FPOVZHCZSA-N 490.630 0.795 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810328189 VZJDWNNNJNYQKG-XQBPLPMBSA-N 455.559 0.379 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1810332149 SVHKOTFPJXFJIT-PGRDOPGGSA-N 467.526 0.338 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)CN4CC(=O)NC4=O)[C@@H]3c3cccnc3)c2c1 1812068684 BLOXPBOAAGGKHC-OPAMFIHVSA-N 486.492 0.701 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)cn1 1816099072 OEMRPWJCNKXYJL-GFCCVEGCSA-N 462.509 0.397 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)COc1ccccc1C#N)CC2)C(=O)C(=O)O 1824676925 KIOYPPJRKDNQCJ-CYBMUJFWSA-N 471.495 0.549 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cccc([N+](=O)[O-])c3=O)sc2C1 1824713839 HDPDRVKRNMHULM-CHWSQXEVSA-N 459.484 0.864 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1828810595 OGWJXYMLDPASAK-DVECYGJZSA-N 467.526 0.878 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1829266965 MMZYLQFRSBTXLI-AREMUKBSSA-N 495.580 0.236 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1829267111 RJCQMSQOWLRUAM-XXBNENTESA-N 472.498 0.136 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1829759604 IRMIETJUXPHUBJ-QEVIJRNUSA-N 450.442 0.288 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1829762502 KUYOQHXEESKAAU-ZNWRTWMLSA-N 488.585 0.092 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(C(F)(F)F)n3)C2)C1 1829764806 WJHYZKURYLEHOY-DYRFGFBLSA-N 496.486 0.958 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(c4ccccn4)CC3)C2)C1 1829769445 SEMHMNVIDJIEQG-SJOJWXDJSA-N 497.596 0.613 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1829773634 OXBARTBAEIXNQV-KGPYNAKISA-N 458.515 0.164 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1829907358 JQJOOTZNIOVSFN-SIKLNZKXSA-N 461.540 0.134 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830041136 BQSQBBVVYBHUDF-GAJHUEQPSA-N 497.593 0.183 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1830465306 BVPALFVRKVOPQS-QHCPKHFHSA-N 471.897 0.861 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1830571725 SLMZSBRROPXWMT-CPJSRVTESA-N 487.553 0.380 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885982 PAIJEFMGSZFWAQ-VGOFRKELSA-N 453.536 0.132 30 20 JCED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(=O)c1ccccc1 1831145469 LTSKNWRSJFLPHM-IPACTHBOSA-N 485.585 0.687 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831396378 DNMNHTRNQHFJIL-MHECFPHRSA-N 455.511 0.604 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1831397435 YEJPETRGUHGNFW-IFXJQAMLSA-N 458.437 0.547 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1)c1ccccc1 1831570819 LUUSVYLVJXBSKP-MZLICYQSSA-N 455.511 0.748 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3csnn3)CCO2)C1 1831756124 LZJLBZIUHXLQCY-QVKFZJNVSA-N 479.559 0.525 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1832004109 PHZPKQKRTBZJFV-DGGJZMOXSA-N 480.562 0.675 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN(C)C(C)=O)CCO3)C2)c1 1832294072 SCIQUTZRDXMROU-HSZRJFAPSA-N 458.515 0.505 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CN3CCSCC3)CC2)CC1 1833060931 HHOIZXDGNRSIQU-ARJAWSKDSA-N 463.648 0.465 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1833396171 GBJFJGZPVDVMCK-QFIPXVFZSA-N 481.571 0.538 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1833607238 GYDLRRGGYJSKER-ZHRRBRCNSA-N 462.503 0.271 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834753858 RVERNTRYMOATMI-ZKGYLWPRSA-N 486.591 0.018 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767958 SOZZFDOGNGDRFG-CKJXQJPGSA-N 454.499 0.704 30 20 JCED CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1834940036 VLNFKMFTHIGFCD-LJQANCHMSA-N 455.437 0.604 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3nc4ccccn4n3)CC2)CC1 1834967143 JJNCKUPWUNBGGM-SREVYHEPSA-N 465.558 0.773 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1835675314 NEJTYMOHXWNNMH-UKKYDJSUSA-N 475.502 0.939 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835844390 GREMPDPFXJUYLH-PMACEKPBSA-N 452.596 0.282 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cncnc4)CCO3)C2)c(C#N)c1 1836053209 XKUHETKOZHHIAB-RUZDIDTESA-N 479.537 0.989 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn4cccnc24)CCO3)c1 1836848837 VWURENXMIDMZTQ-DEOSSOPVSA-N 476.493 0.993 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1837394989 NFNPZERLYNZQSM-GCJKJVERSA-N 481.571 0.128 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1837403927 WGCSKTJEKLYJHM-RDPSFJRHSA-N 475.590 0.362 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1837428347 BNXKHPYBFOCAAU-VGSWGCGISA-N 478.622 0.092 30 20 JCED CN(C)c1cncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837524827 OIIRQFNOPUWSKM-FPHRNUPISA-N 475.546 0.747 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=C4c5ccccc5C(=O)N4CC3)CCO2)C1 1838458220 VNGHGCHINJUHSK-HFJWLAOPSA-N 479.533 0.752 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838477843 MTDKJSLAQKFMOJ-DBNSOCDESA-N 456.455 0.592 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1 1838579236 HQQGRFAYFICPRS-QFIPXVFZSA-N 458.471 0.089 30 20 JCED C#CC(=O)N1CCC(OC2CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 1838612977 CYQPCYSMFNJENQ-UHFFFAOYSA-N 472.567 0.473 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC(=O)N(C5CCCC5)C4)C3)C2)c1 1838732763 ZSPUAWBYUSGLPW-KOSHJBKYSA-N 469.542 0.747 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1838773790 BDRJHXMIAAUIQA-DEOSSOPVSA-N 493.557 0.445 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1839130531 FYJBTTSKHHLZJF-CYFREDJKSA-N 494.589 0.276 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C(/C)C(=O)O)C3)C2)c(C#N)c1 1839133587 XVIQDEZKGGKDRM-OUXDILKSSA-N 457.483 0.597 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)c1 1839419384 YGUNFOGALWXDMU-QFIPXVFZSA-N 462.547 0.816 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnn4)C3)C2)c1 1839422430 SSYYRQUACQIZBA-JOCHJYFZSA-N 455.446 0.636 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nc2nccn12 1839549012 OYZQSWLORGAJSR-HBAGGBEISA-N 469.546 0.579 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4C[C@H](F)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1839810729 NVQKXVBELICPNT-UTJZJXFBSA-N 465.522 0.812 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839867360 JPDAQLMQBGODTJ-DGGJZMOXSA-N 480.562 0.048 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Cl)ccc4c3OCO4)C2)C1 1840042815 PBWDZLZHGIZPQE-FQEVSTJZSA-N 450.831 0.227 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044116 LSZNTTMZKQFWIX-GAZXMLTASA-N 491.541 0.178 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840063292 ANRKJFFGEHACOD-HSZRJFAPSA-N 452.467 0.808 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840167663 FJKPPIMGETXPMU-QFIPXVFZSA-N 463.556 0.500 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)c(C#N)c1 1840180902 JKZCRWPHWOQTSY-RPWUZVMVSA-N 489.525 0.182 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1840819817 HGROKDBIRZGZIR-RUZDIDTESA-N 495.536 0.946 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1840854462 CARXWDGRVLMCML-DHLKQENFSA-N 486.569 0.871 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]3C[C@@H]3N1C(=O)OC(C)(C)C)CCO2 1840911855 NDUMCWJFQAKLRU-WERWAAGDSA-N 491.585 0.879 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1840912189 BOIJYBWNUWLXTB-MQNAVGNWSA-N 475.546 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1841055211 GWNYLPNHSKXCAH-PMKBXARWSA-N 462.547 0.276 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cccnc2)C1 1841970971 GGJWWVWFYFCOLJ-GOSISDBHSA-N 469.542 0.931 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1847262108 NBKRNXRFSKXITM-HWEJERSBSA-N 476.574 0.665 30 20 JCED Cc1cccc(C)c1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccnn2C)c1=O 502004337 PZKRAQVAAWLZAM-UHFFFAOYSA-N 492.605 0.201 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cn1 507502698 KMJIUZAUYSDXHO-UHFFFAOYSA-N 450.498 0.420 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1cccc(NC(C)=O)c1 511708492 UIXPDVBFUVTKFX-UHFFFAOYSA-N 483.575 0.970 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(C)cc2)CC1 603552974 KUYQXHSTDLFIFA-UHFFFAOYSA-N 462.579 0.608 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(F)cccc2Cl)c1=O 608912454 NVOPMWUGKGKHKN-UHFFFAOYSA-N 484.962 0.033 30 20 JCED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC1CCN(CC#N)CC1 609328928 WNPMIELRHWDKFO-NRFANRHFSA-N 491.614 0.566 30 20 JCED CC(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 729883479 CASKLIUYXQRVOB-LYBHJNIJSA-N 463.560 0.813 30 20 JCED N#CCCN(CCC#N)C(=O)COC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 745499213 AZQMVKQMWSCBGD-UHFFFAOYSA-N 468.557 0.954 30 20 JCED COCCN1C(=O)c2ccc(C(=O)N(CCC#N)CCN3CCOCC3)cc2S1(=O)=O 749385433 VOMDXYSYSPNBQP-UHFFFAOYSA-N 450.517 0.166 30 20 JCED CSc1nc(C2CC2)cc(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1C#N 792734768 XQMLZHJWYBZISQ-NSHDSACASA-N 452.514 0.722 30 20 JCED COCCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 849194681 APNXDXURHBRKOL-MRXNPFEDSA-N 471.601 0.948 30 20 JCED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 916889209 LXGXTYSVPOFDRC-ZDUSSCGKSA-N 474.333 0.555 30 20 JCED CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 918759829 NTTVQXMMOIIFPJ-UHFFFAOYSA-N 457.462 0.898 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)NCCO)CC1 1454263432 MRFFEYRRSMTCTD-KRWDZBQOSA-N 450.561 0.631 30 20 JCED CCN(CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)S(C)(=O)=O 1502179494 JNSZGACHCYBAJZ-SFHVURJKSA-N 478.623 0.362 30 20 JCED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1505130999 QKACJOPTBLLOAT-UHFFFAOYSA-N 487.586 0.826 30 20 JCED CN(C)CCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1552868174 VROCBWUFBZRWOJ-OALUTQOASA-N 465.624 0.183 30 20 JCED CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1554377653 JIWSBNGZEHXMFN-INIZCTEOSA-N 489.602 0.971 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(C(=O)COc2ccccc2)C1 1556354732 SHBMOLCJRVDLOS-INIZCTEOSA-N 456.524 0.911 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1615938652 KYAXGGYUKPXTBF-JOCHJYFZSA-N 455.588 0.943 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 1634895238 OLTDQCFMUTXZHW-QGZVFWFLSA-N 458.544 0.893 30 20 JCED COc1ccc(C)cc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1748600513 VZKFQZRGHGOGHS-QUCCMNQESA-N 490.586 0.900 30 20 JCED CC(C)(C)OC(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750506872 CXOXEWQXAFWDQJ-DOTOQJQBSA-N 479.607 0.881 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779422842 PHADFZQXDNMBBK-NHJLULLMSA-N 453.540 0.476 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)/C=N/O[C@@H]4CCCCO4)C3)CC2)CC1 1779423817 HUGWIWGXTTUKJO-VHPLDVDOSA-N 491.633 0.809 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1781296714 UNWQJRSLPMLROK-AOMKIAJQSA-N 452.552 0.941 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cn3)C[C@@H]21 1784479016 SUVRYSOHILISSZ-RQIDZSJNSA-N 456.543 0.550 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)NC(=O)OC(C)(C)C 1785304533 BGASXBNURFYMNP-UUOWRZLLSA-N 489.573 0.933 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1785576906 QJOSUGBETBZGBK-KOSHJBKYSA-N 472.542 0.745 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CS(C)(=O)=O)nc3)[C@H]2C1 1787251494 FUOGROXAHMKMSH-IHPCNDPISA-N 491.614 0.501 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)[C@@H](O)C1 1789808408 COSMOJRCUIJKCY-TXTPUJOMSA-N 487.557 0.707 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C[C@@H]21 1789891337 OVWRIPBOBAJJCK-FHWLQOOXSA-N 474.558 0.776 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1789958895 XMMBFIBTJHQANA-IMPIEMTGSA-N 456.540 0.610 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791258233 HBVLOLCDRFWADI-CTENRWPPSA-N 491.676 0.946 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1792175349 QGPJGEMZHMQQOP-VJANTYMQSA-N 499.630 0.708 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc(N2CCOCC2)cn1 1794442080 JYTVYKHAHLAXOG-MLXKZIFNSA-N 487.557 0.650 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795602287 GPIDOTMZSXWHEK-NPDDRXJXSA-N 487.576 0.744 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/C(=O)c2cccs2)C3)CC1 1797138872 YUKAMBAAIAXEKM-FJQDHSIPSA-N 495.623 0.748 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl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c1cccc(C#N)c1)NC(=O)OC(C)(C)C 1800879076 VTWMUEDALGMIRQ-FSIJUFHLSA-N 486.569 0.964 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nnc(C)o1)C2 1802127510 QSXDXEABHKXTEW-YYAJDYIMSA-N 461.519 0.427 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1802490209 QOWRGPJJIRBDES-VWZTXQRKSA-N 460.556 0.523 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807025788 MFBPGZDNGMWKEH-HFTRVMKXSA-N 455.452 0.613 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1808412435 HIFYNMVQRUJBQM-QKQINCMDSA-N 490.630 0.985 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810331335 ZKGZDUSPLQPEDX-CEWLAPEOSA-N 472.542 0.851 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1810355822 GDWBGRBNMHFKEW-BUSXNMMMSA-N 483.462 0.341 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1812878886 NBQWOIYYXJLXMO-HXOBKFHXSA-N 459.462 0.968 30 20 JCED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)CCC1 1814048492 RVTCTUISHUUSAO-AZUAARDMSA-N 459.572 0.512 30 20 JCED CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2)C(=O)O 1815080137 DNKBCSPXFHIJIG-RTYPBLCWSA-N 453.521 0.647 30 20 JCED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1819949607 RTFBZJOQPGBEDO-VPNURPJOSA-N 479.584 0.498 30 20 JCED Cc1nnc(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)o1 1829005803 FNELPLUXZFQPRG-XMMPIXPASA-N 495.492 0.461 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1829263151 LRPFHEHPEAOPLW-UUOWRZLLSA-N 454.527 0.939 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1829333606 AXMOMHXDYPFNMZ-BSRJHKFKSA-N 457.458 0.885 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]4O)C3)C2)C1 1829671132 UDFLCUIZSIJVOQ-KHCICDEESA-N 479.574 0.637 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1830569291 SUNQTVFQYRRWQI-IERDGZPVSA-N 473.592 0.248 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1831412099 CTGAICLOHWNCKC-YOSAUDMPSA-N 463.575 0.827 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1831486753 GSYRJUSIJDZVAU-UWJYYQICSA-N 451.545 0.877 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831608073 BJUUDDSLUKYWOM-LLJLJFOGSA-N 496.605 0.814 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832205696 NZIYJTSJCDOICL-XXBNENTESA-N 457.531 0.461 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832732474 WVHVCEUMKUBNPX-VWLOTQADSA-N 493.520 0.218 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1833271625 AHVOQRIMVUZXBT-GOSISDBHSA-N 465.595 0.993 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3coc(C)n3)CCO2)C1 1834212900 BCZOZUXPZPXANA-HXOBKFHXSA-N 476.530 0.970 30 20 JCED Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)c(=O)nc1O 1834715893 RULOHRNDUNJAFY-UHFFFAOYSA-N 487.605 0.111 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835103057 UFGNIPWZAHSKJC-FNZWTVRRSA-N 476.533 0.708 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc4c(c3)OCO4)CCO2)C1 1835177568 DEYBXKZYESLPEH-KOSHJBKYSA-N 458.511 0.843 30 20 JCED Cc1cn2c(=O)c(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)cnc2s1 1835407848 PXOCXDHEVQZILW-UHFFFAOYSA-N 471.539 0.338 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674680 DQJMKXJRFQKEKC-UUOWRZLLSA-N 493.605 0.734 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1C(F)F 1835677251 CULZOOXWTHPNRO-OAQYLSRUSA-N 468.505 0.939 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731801 GFOOLZIDSJPINE-VKLJRCAFSA-N 498.632 0.638 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1837396443 GXHAEGDOGABFCW-YADARESESA-N 469.542 0.910 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837463094 ZYWVQXMXKUMLHL-QHCPKHFHSA-N 473.599 0.431 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2)C1 1837499991 VCKOSUGXHGYQKU-TXTKFYIRSA-N 466.531 0.706 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Cn2cncn2)CCO3)c(O)n1 1837641487 PQIPGUWRJPCZMW-UUOWRZLLSA-N 484.557 0.904 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1838195606 QBEAXWHUXPBQFC-XQHLYRQSSA-N 475.546 0.747 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc[n+]([O-])cc5)CCO4)C3)c2c1 1838339679 VZXZLYCCZZEXFT-HSZRJFAPSA-N 462.466 0.452 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN(C)C(C)=O)C3)C2)c1 1838579307 IXPNOXACUCYFQG-QHCPKHFHSA-N 458.515 0.505 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCSC)C3)C2)c1 1838583792 ODKXZHULIQFXFD-UGKGYDQZSA-N 463.556 0.751 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138965 SOFTVXXCEKXJCS-XMSQKQJNSA-N 489.635 0.939 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1839175036 LIQRTUYFOVTUHK-JOCHJYFZSA-N 491.932 0.962 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)[S@](=O)c3ccccc3)CCO2)C1 1839671100 PFVNCYXFPQERRM-VHOCSCKWSA-N 462.568 0.677 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1839839912 QDNNJTMQXCZMPC-KXNSMUHISA-N 460.531 0.661 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840010482 DUZNSHGMXMNZTG-AVCGMFPDSA-N 499.630 0.643 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1C#N 1840763405 BCSILPCVEHWXFC-HSZRJFAPSA-N 455.467 0.503 30 20 JCED Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc([C@H](C)C#N)c4)C3)C2)c(=O)nc1O 1840808754 LWRKFICEJVUVIV-CRICUBBOSA-N 495.536 0.655 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 1841984781 KGQQMHDOVWFWSF-MRXNPFEDSA-N 454.531 0.406 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842946662 WVVZVNHMVUIOKP-DLBZAZTESA-N 463.579 0.479 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845146587 BRFTUNRYNOHBIW-AWEZNQCLSA-N 451.476 0.124 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1845187358 XKLLHWAJIDKUBQ-XLIONFOSSA-N 457.527 0.879 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848213360 FDGVGILKLWZJRJ-FUPXFLQYSA-N 459.503 0.724 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 11054151 BXVCGVBHAUYTAM-CYBMUJFWSA-N 459.908 0.966 30 20 JCED COCCOc1ncccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 524427147 GDAJWLHUSSNBAY-UHFFFAOYSA-N 473.511 0.450 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3(C(N)=O)CCOCC3)nnc12 642248853 JSTQEKVGYOCTJY-UHFFFAOYSA-N 456.528 0.721 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 728536168 MYAPCBSQQGPXAA-KRWDZBQOSA-N 470.592 0.119 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NC(=O)N[C@@H](C)COC 730029191 NZEYIRUDBBPHQL-RCDICMHDSA-N 458.471 0.555 30 20 JCED COCCN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918264379 CGNIGKBLGOPSIC-PTGBLXJZSA-N 453.565 0.522 30 20 JCED CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 918590369 KWLWCCBQYIKLHB-OAHLLOKOSA-N 457.530 0.071 30 20 JCED N#Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1F 1211406742 LRVBCUVXUPYGLJ-UHFFFAOYSA-N 453.473 0.820 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NCc1ccccc1 1359474394 QXVFWUVDCPEGSB-HKUYNNGSSA-N 489.602 0.913 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)C(=O)C1 1507779219 LSBFVPKWHGBYQC-GFCCVEGCSA-N 465.374 0.092 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCN3CCCC3)CC2)c1C#N 1543001540 UGHDYZKJFIWCER-UHFFFAOYSA-N 454.583 0.752 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1554507143 JGEXELMHWSBBIC-KRWDZBQOSA-N 472.575 0.367 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1555811980 UPJNNRWAHDSNSD-UHFFFAOYSA-N 489.602 0.533 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1692795067 NXPNNLURERGLGI-MJGOQNOKSA-N 493.682 0.091 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1741133159 ORPALURAXCSARN-LSDHHAIUSA-N 455.585 0.369 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778916899 GRZFRIFGJIGACE-XKDCRVNJSA-N 459.547 0.735 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1779099867 NXQKNGIEPMECQT-QBRPEMMGSA-N 456.503 0.790 30 20 JCED O=C1NCc2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)ccc21 1779103058 NAPUJEVIKUVEPU-LDVHSUHUSA-N 456.499 0.903 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779428519 MOBNFVOIPJSEJV-RWKZSIEGSA-N 469.535 0.645 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1780102267 BGMNWTDVCNOAAN-SWWFSWNPSA-N 483.525 0.844 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CC(=O)NC2=O)C3)c1 1781103231 DKAKXKZUDODUNE-VGOFRKELSA-N 457.462 0.377 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782954409 UKMBTSKRKLDFBR-GSHUGGBRSA-N 485.603 0.863 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783487937 NQDOYFHGJGQUPG-YZQOHXRLSA-N 461.515 0.692 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2)NC(=O)OC(C)(C)C 1783787505 QIRMNZJKOTTXGE-HXOBKFHXSA-N 489.529 0.786 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1785515859 JUIJXQIJKHHRSP-GAJHUEQPSA-N 489.529 0.786 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1788571274 FPNPIMHSCGXSDY-JYAXBFRTSA-N 499.612 0.574 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)N4CCOCC4)[C@H]3C2)c(O)n1 1788648649 SEUGROPTJBUJPZ-JLPWOHBFSA-N 474.558 0.150 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789572993 FZYZPTDLYSHLDF-QTWZMDIBSA-N 462.510 0.760 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1789838721 MRXPFZXDRZKAII-MUGJNUQGSA-N 488.589 0.955 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3noc(-c4ccccc4)n3)C[C@@H]21 1791078913 KEVDXGCSYGVPGE-BZSNNMDCSA-N 452.467 0.737 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21)c1ccc(O)cc1 1791331147 HMQRSWIZRADBSE-QIJZPMMNSA-N 462.568 0.914 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)[C@H](O)C1 1792451848 REWWCGFGMUQXMF-CWQOZTLDSA-N 462.547 0.498 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792582575 ACCYVOXZYKMUER-RFBJODPTSA-N 490.601 0.799 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(CNC(=O)OC(C)(C)C)CCOCC1 1793203772 NREYDPYKVMMJQE-YSTOQKLRSA-N 493.601 0.936 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC(=O)NC 1793504597 AGZNYMOWHCOCCA-YVSFHVDLSA-N 495.577 0.566 30 20 JCED COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c([N+](=O)[O-])c1 1795600078 RTBMKLYNAOROMU-HGKCTWBKSA-N 487.513 0.866 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](NC)C(=O)O 1796094036 PJNHVKVGGSWLNC-JJTUDDRGSA-N 450.536 0.604 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC 1797759495 RXDPTGRPWIZPPU-SFNKJDCFSA-N 497.662 0.920 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2 1797811741 USPJSPMUMYNJFB-AUJXXCQVSA-N 456.543 0.820 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797893414 DBSRYBRSPISDEP-MKOTWABBSA-N 478.505 0.992 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799196272 OQUYHBVLXNBOQF-KYHREEPGSA-N 481.590 0.787 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1799249916 SNVFKOAYMWFAIF-NYUBLWNDSA-N 477.558 0.836 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1799355485 ONKGSSJRLJAJJK-XAPVIXHLSA-N 471.554 0.903 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)ccc2F)CC1 1799746169 PHCPTVCZGWOZIN-XEMDLRDOSA-N 478.546 0.572 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800779064 PXGKZBSBRWABCT-BBPSPNIXSA-N 461.515 0.311 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C(F)(F)C1 1800781199 NTWLSSGTNPWJFZ-UIVXKWKOSA-N 499.511 0.946 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnccn1)C2 1802126608 LWVSPTHAYPDEIX-SHJAMOMRSA-N 471.558 0.915 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@H](CNC(=O)C(O)O)[C@@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1802929562 ZMBSBOGWTQYJMF-BZSNNMDCSA-N 460.531 0.964 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c(C#N)c1 1804190216 JRDSEGKZNPYAEU-MHECFPHRSA-N 490.520 0.762 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1)[C@@H](O)N1CCOCC1 1810353010 CWFUUCJCPJIWOB-DPMRGIDFSA-N 455.515 0.450 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810492000 SZPIUXKYOZULOH-UHFFFAOYSA-N 476.497 0.608 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811187802 RZSDFXVPUPBOFW-BXWFABGCSA-N 452.515 0.863 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1812712937 SNVFVUVJRUXNMG-JYFHCDHNSA-N 479.581 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818890677 ZGLMKSIZNMEJFJ-MWWKQMNYSA-N 474.587 0.078 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ncn(C)n3)CCN2C(=O)OCc2ccccc2)C1 1828667188 DVJORROZMWWXFG-KBMIEXCESA-N 494.552 0.919 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334793 OAIUPSWVWPPFLP-MQLALCELSA-N 496.520 0.566 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1829777360 XDJHEFDCNYEFSR-PAOWDLQYSA-N 484.553 0.120 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1 1830182591 NGUVQITWDJXVDF-QFIPXVFZSA-N 461.540 0.854 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1830884152 QIYSTUIKIBBSON-IERDGZPVSA-N 454.524 0.022 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1831386417 GMPWOKMVAZUULQ-UZUQRXQVSA-N 473.551 0.558 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1831433827 ZFHLZGLOOFITFF-ZVVFGRKBSA-N 497.589 0.262 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831598068 PCIOLSMMEOELIA-HKARXFIJSA-N 482.578 0.424 30 20 JCED COc1ccc(Cn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)cn2)cc1 1832782455 DYYLVUGHXOMLSB-DEOSSOPVSA-N 467.526 0.853 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832934043 SQYOWMWDJIVUFV-SBUREZEXSA-N 491.545 0.294 30 20 JCED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)cccc1=O 1833872930 JBVLRQCENWDQSJ-XMMPIXPASA-N 468.485 0.709 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)c4cc5n(n4)CCNC5=O)CC3)CC2)c1 1834329168 WKULSCYNYLVSOI-UHFFFAOYSA-N 464.530 0.325 30 20 JCED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1)C(=O)O 1834741551 ILKWMSOVUCKBRX-FQEVSTJZSA-N 471.558 0.571 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835352042 LJTKRMBCAWOWCJ-HRAATJIYSA-N 454.524 0.022 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c(C(F)(F)F)n1 1835410164 VLIVWFIGNCCDGH-OAQYLSRUSA-N 495.458 0.664 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1835675238 YWYKJVYBUZGJAG-XXBNENTESA-N 458.563 0.210 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1835677183 LILXDCWRQCIHCU-OAQYLSRUSA-N 460.560 0.748 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)C[C@H]3CNc4ccccc4O3)CC2)CC1 1835699192 XPSQTYSYEZISIX-IBGZPJMESA-N 454.527 0.909 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)cc(C(F)(F)F)c1 1835748997 YDPQFNMKBRKEQE-DYESRHJHSA-N 497.474 0.240 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)N1CCN(C)CC1 1835768021 IKQZEIYXXULOQA-KCOFUKACSA-N 492.665 0.723 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](N)c1cccnc1)CCO2 1835838325 PDAAMMXINSPIFR-BWKNWUBXSA-N 479.537 0.879 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1sc3nccnc3c1N)CCO2 1835876526 LRDYESGDVKVFIT-JOCHJYFZSA-N 489.554 0.853 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4cnncc4C(=O)O)CC3)CC2)c1 1836169315 JXYBIIHPRGDESJ-UHFFFAOYSA-N 451.487 0.874 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1)CCO2 1836621568 LDHWZKVVNGPPAW-HOIFWPIMSA-N 453.511 0.671 30 20 JCED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)CN4CCS(=O)(=O)CC4)CC3)CC2)c1 1837079215 ITVPFJABIQYTTJ-UHFFFAOYSA-N 488.610 0.901 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO2 1837221368 KAGMKVHRQYXWCH-UGKGYDQZSA-N 454.520 0.540 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1837443418 JSPJAXUBCYGUBN-SFFGGSCWSA-N 472.542 1.000 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837447364 ZLLJPHUPRZNPKA-XUHCNCODSA-N 473.509 0.410 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)no1 1837545684 NWMYECMRHVRKJF-RUZDIDTESA-N 495.536 0.674 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562738 FQGHRXXLDSVVCI-YUTJSNEMSA-N 494.346 0.965 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1837564571 XYYUMOQAUGULBD-SNMORSHISA-N 461.393 0.260 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1838386461 NQVNOBOEZGXTOY-PMACEKPBSA-N 453.580 0.709 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CCN(C)CC4)C3)C2)c1 1838578632 KMUJVNQRKMJENF-DEOSSOPVSA-N 456.543 0.979 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838732769 ZUUYUUVJJRYOIN-NRFANRHFSA-N 473.511 0.069 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950328 JRRLLYOVNYMOKH-DEOSSOPVSA-N 498.561 0.882 30 20 JCED COc1ccc(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)CCC2)cc1 1839141106 WPRSHXJCRDUQHT-HSZRJFAPSA-N 456.495 0.661 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)cc1 1839362102 XYGXZQKKSXQIKL-JOCHJYFZSA-N 453.455 0.338 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839413945 DBCCIJBPSIUMGZ-XMSQKQJNSA-N 463.487 0.944 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(Cl)ccc(Cl)c1O)CCO2 1839416900 PJJYKODPHLUQJT-LJQANCHMSA-N 457.266 0.857 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1C(=O)N(Cc1cccs1)CC3)CCO2 1839620703 QYBYKCYJRUWUMV-QHCPKHFHSA-N 483.550 0.304 30 20 JCED CCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040072 NEJUJIPMQLPXHO-YADARESESA-N 471.510 0.130 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Br)ccc3[N+](=O)[O-])C2)C1 1840043503 CBAVGKMNWDNUAE-LJQANCHMSA-N 496.270 0.515 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccc(C(F)(F)F)cc4n3)C2)C1 1840044347 DYGGYMLDVKHBSD-HXUWFJFHSA-N 480.399 0.511 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCC4CC4)c(F)c3)C2)C1 1840045174 VCMNCFLFKQNQAE-HSZRJFAPSA-N 460.458 0.773 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840156224 KQMOCCXWJVTXQO-NRVIRDBHSA-N 487.619 0.379 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCOC3)CCO2)C1 1840540308 UIPCTWIBUZOCOA-PMAPCBKXSA-N 467.563 0.949 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c1 1840712253 BPTIJNAQEUTLQW-IQGLISFBSA-N 480.521 0.699 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840771586 GFQDDGIWKKNLDP-QRQCRPRQSA-N 459.524 0.504 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1)NC(=O)OC(C)(C)C 1840796033 PLXUHDZCAIYDGC-WZONZLPQSA-N 468.595 0.864 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)C2)CCC1 1840812297 JFSDWNZERMFPKT-INIZCTEOSA-N 451.373 0.492 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1840844232 KLXOWGZTZJXBBB-RZPFDVGOSA-N 499.564 0.628 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840845413 WOEBVYYFHRGCLP-WZONZLPQSA-N 465.547 0.492 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1840906743 IUVKNHCPRARKIT-UUOWRZLLSA-N 494.589 0.274 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1840945251 PXCHYNNIXJQANY-JOCHJYFZSA-N 491.520 0.915 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cncnc2[C@@H]2CN(Cc3ccccc3)CCO2)C1 1844403003 FYHXZNWPYBKOLB-NRFANRHFSA-N 489.532 0.955 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OC)c1=O 501774802 KOLZUDHJLKUPIE-UHFFFAOYSA-N 471.535 0.233 30 20 JCED C=CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 514348488 SQNRJJSCLHKZCZ-AZUAARDMSA-N 453.547 0.919 30 20 JCED N#Cc1ccc(CNC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 521763837 LOCBGWFKCNUPHY-UHFFFAOYSA-N 456.484 0.069 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 523476828 QDNJVBQCEMDIFF-UHFFFAOYSA-N 471.535 0.095 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(OC)nc1 608883825 JIURTPKQHHUCOJ-UHFFFAOYSA-N 480.546 0.967 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)ccc2OC)c(=O)n1CC(N)=O 608911352 BVEAWPSOUDAXGF-UHFFFAOYSA-N 493.383 0.586 30 20 JCED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2)c1=O 608912402 KZJRANGFRZZHNC-UHFFFAOYSA-N 454.596 0.859 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)c1 726159731 QAHFMOXNTUEWAP-LTGZKZEYSA-N 454.534 0.372 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727221301 LAGIOJTVYKHILT-QGHHPUGFSA-N 453.297 0.879 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCOCC2(C)C)c1 728411682 NGTFPXUIRNVDIG-MOHJPFBDSA-N 465.576 0.665 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1OC 729673294 XPLLACIJCAXXFX-UHFFFAOYSA-N 463.537 0.397 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc3cccnc23)c1=O 818215186 BMBXWNMGSWEWHU-UHFFFAOYSA-N 477.590 0.819 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(N2CCOCC2)cc1 821731648 COHBYCRMQOHKNY-UHFFFAOYSA-N 458.496 0.744 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)n(C3CC3)c2=O)cn1 839378960 NBICXDXEWWQKDK-UHFFFAOYSA-N 460.563 0.830 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 913328533 QCHNCAQDYWQHAF-OAHLLOKOSA-N 454.461 0.693 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1cccc(C(N)=O)c1 918023523 YMGQCIBFSZJOOH-UHFFFAOYSA-N 455.540 0.622 30 20 JCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)CN1CCCS1(=O)=O)CCCC2 919362598 BDVFVVDBFRYAES-HNNXBMFYSA-N 464.544 0.935 30 20 JCED COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1300283601 RSNLOPPAAIMBCQ-VQTJNVASSA-N 465.507 0.857 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1360602029 LJWTUYOWHCUDSB-IAGOWNOFSA-N 453.613 0.987 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1 1447410231 MUWSQEYOXMMBFQ-HXUWFJFHSA-N 456.524 0.423 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1COCCO1 1510222115 VUPYURIMWYGKNO-SJLPKXTDSA-N 475.575 0.502 30 20 JCED CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1517622615 OUCGLPLDKBZFLF-UHFFFAOYSA-N 467.559 0.478 30 20 JCED CC[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1552428420 IDSHMIFIOMHEQX-INZIPBBXSA-N 477.616 0.542 30 20 JCED CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1615903224 KFZJQCBNKNQLPI-UHFFFAOYSA-N 484.609 0.819 30 20 JCED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1618829915 MJXDVLUAGJSLGT-SFHVURJKSA-N 466.546 0.773 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1696501810 VDVXAYPWNLSSIH-GFCCVEGCSA-N 458.342 0.704 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1706747675 OZEHFICTABBRAU-HZPDHXFCSA-N 457.626 0.398 30 20 JCED CCN(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C1CC1 1746314283 YBTHGOCPZMMEGS-QGZVFWFLSA-N 487.634 0.966 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CC1 1749245927 VMPNJZOIUIEWJQ-NRFANRHFSA-N 467.574 0.959 30 20 JCED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H](C)O1 1749579141 WDZRQQZDJMSIJH-QAPCUYQASA-N 464.548 0.518 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1750193241 ODYIWQVGUZELKM-IAGOWNOFSA-N 494.599 0.501 30 20 JCED CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1768297784 RAMZJZLGNPQQDB-QGZVFWFLSA-N 490.565 0.506 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)nc1 1779015708 BRGYFGQDJFCGTD-VSIOZEBNSA-N 463.560 0.400 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1779063546 VVOQYTHBEGDDTP-QHCPKHFHSA-N 481.615 0.187 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779440112 NIDDQSRHDIKKIH-JQKIVAFZSA-N 453.561 0.893 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783501864 JOZVQICLHRDMHX-HAGHYFMRSA-N 494.658 0.932 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(I)cc1F)CCO2 1783567858 DZLHEQSGKIJCNG-SFHVURJKSA-N 486.237 0.962 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1784495477 NHZSPQIUMUOBPD-LNLFQRSKSA-N 455.515 0.666 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2)NC(=O)OC(C)(C)C 1785305702 ZVPAIWHXIXMJJS-PNLZDCPESA-N 477.566 0.924 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1785308670 MCNOFAJMVVTONW-MFEFFIJZSA-N 464.563 0.812 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376846 XPHQZIAXJAEHRZ-IERDGZPVSA-N 464.544 0.095 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC(F)(F)C(=O)O)CCO2)C1 1785574338 HKJDWKYWLJQFCE-XOBRGWDASA-N 473.473 0.843 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1)NC(=O)OC(C)(C)C 1786648918 GPTOBENCUYGJAO-MHORFTMASA-N 487.619 0.870 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCOCCOC)C[C@@H]21 1788576265 NHDVHGXYJWABKO-XSDIEEQYSA-N 486.606 0.235 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1788637086 CQLJWHRAMISABX-JYJNAYRXSA-N 459.465 0.343 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1788771120 MZRYWYSNSBOVJN-CMOCDZPBSA-N 456.543 0.622 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc(C)c(O)nc4=O)C[C@@H]32)c1 1789259095 GSECDJOIVPVBJL-VDGAXYAQSA-N 481.509 0.431 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789927867 DMGGJDCEOOBTIE-VMXHOPILSA-N 467.563 0.280 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCSC(=N)N)C[C@@H]21 1792258153 ULVUXBYTENGYAM-QAETUUGQSA-N 481.619 0.899 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1793359108 NZYRIEXLMDENSP-NRUGXNMXSA-N 455.552 0.443 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cncc(S(C)(=O)=O)c2)c(C#N)c1 1794320757 CICXATVVPRCOID-BBIADKPPSA-N 498.561 0.811 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795599509 OIZNIXJDUSSEFB-RHQZKXFESA-N 493.605 0.086 30 20 JCED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1796045082 LAOKUGSJIOWXAQ-FLXSYLCISA-N 490.630 0.087 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(NC(=O)OCc2ccccc2)CC1 1797248892 NVTARTIHCXQKJM-NXZNQBGBSA-N 496.564 0.893 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C\C(=O)NC2CC2)N(C(=O)OC(C)(C)C)C1 1797615670 KFFIYEYBLYEPGS-BLACHMLSSA-N 488.585 0.976 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)NC(=O)OCC 1798270198 RCJHPVCOVHHMNJ-IWSXDTNSSA-N 466.535 0.606 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799198702 ZBBJNYBNRYCWRP-VLUPQCQJSA-N 482.578 0.605 30 20 JCED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)cc1 1799642678 LRDCBOZWFWNDGE-RMFSNUHRSA-N 465.466 0.726 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O)NC(=O)OC(C)(C)C 1800199863 KXNAISYINUEOAS-WYADAEROSA-N 489.573 0.692 30 20 JCED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c(NC(=O)OC(C)(C)C)cn1 1800773515 NWZBEIFTZKTOON-VTEUUUEMSA-N 488.497 0.728 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CN2CCCCC2=O)[C@@H]1c1cccnc1 1802489198 DGFKWDXVBFXKTL-KTTXHFHUSA-N 453.543 0.958 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)CC2)C1 1804853811 RDRKOCYQRPRABM-CPHMMYSSSA-N 461.588 0.878 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2c2cccnc2)c1 1806085101 YINKFASCVNXBSZ-OXQOHEQNSA-N 458.482 0.855 30 20 JCED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807943818 KHSNYRDDCGUGLG-KSSFIOAISA-N 454.516 0.446 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812390780 CWQBIBOXEGNCLU-IXRVLNTNSA-N 455.471 0.343 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817276068 OVEVIULRXOAWQR-CQSZACIVSA-N 484.600 0.990 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1823744210 QCFGAYMTSUCPTC-JTGQJZMRSA-N 456.480 0.189 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828515224 UFIWIKGYPLQHME-QHCPKHFHSA-N 480.529 0.675 30 20 JCED C[C@H](CN)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332504 OJQXYYNJMAZZED-UZUQRXQVSA-N 456.499 0.121 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCN2C(=O)OCc1ccccc1 1829384752 MCRHIUAKCHPFTM-RUZDIDTESA-N 493.520 0.882 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829472067 RSDDUOKSQUXVQL-HOYKHHGWSA-N 487.557 0.698 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C2)C1 1829763007 XQAKPANPTPHMGP-XXXZYALBSA-N 494.589 0.605 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1831426434 LOBPUAHUCKLXPQ-WZONZLPQSA-N 455.515 0.928 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1831431201 AOOCNCLQFBKOKH-QMHKHESXSA-N 487.513 0.340 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1831452457 SBPLUFXVKHUXMN-VGOFRKELSA-N 482.986 0.829 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@@H]3F)CCO2)C1 1832131457 LTFIZCACONBXPZ-SVQXRNPESA-N 453.511 0.717 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1832458749 ZGKLZTSBMDAJFJ-JXFKEZNVSA-N 459.565 0.205 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1833482577 BMULRRRXUQSENE-QFBILLFUSA-N 457.637 0.812 30 20 JCED Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1F 1833705364 FTEADJNBPKIFRI-CXDMEPTKSA-N 467.498 0.467 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc4c(n3)OCCO4)CC2)CC1 1835040301 DTPTUDQRIHNMEM-WAYWQWQTSA-N 483.569 0.896 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835315967 FQBXAMNSVRSQPC-QZTZHPFYSA-N 494.589 0.581 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1835362602 PACSGRTZVLMNSF-ORAYPTAESA-N 455.437 0.903 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCN2CCOCC2)CCO3)c1 1835440803 HDOYVWATODQSEC-RUZDIDTESA-N 470.570 0.670 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c(O)n1 1835508704 PJSQQFLBYFTTIW-OAQYLSRUSA-N 463.560 0.602 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835620629 GWWNQYKAOVWQJM-KOSHJBKYSA-N 480.606 0.748 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccc1[N+](=O)[O-] 1835679934 CBMGDTMJJNLWHU-HSZRJFAPSA-N 489.529 0.955 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNc1ccccc1C)CCO2 1835860314 PMBPNDLUEWQIKA-XXXZYALBSA-N 456.543 0.722 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(OC)c1F)CCO2 1836238337 WFENTHXRKKABJV-JOCHJYFZSA-N 465.478 0.809 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837150414 ZZSOZASYMARDLZ-XMMPIXPASA-N 469.542 0.282 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCc2nc(N)n[nH]2)CCO3)c1 1837269203 STHMBIMTJMLIEB-HSZRJFAPSA-N 467.530 0.280 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837608806 JLNAPLAHRPYCSU-FYSMJZIKSA-N 496.499 0.376 30 20 JCED O=C1Nc2ccccc2Cn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cc21 1838442737 RSVTWUSDBBVVGN-AREMUKBSSA-N 489.532 0.981 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1838537560 OKFIMJATCJJNRN-XMMPIXPASA-N 466.494 0.406 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cccs4)C3)C2)c1 1838732725 ZFYBWRKUFMKMDE-OAQYLSRUSA-N 457.512 0.448 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1839130631 KHYUYXJSPBZUTB-IUKKYPGJSA-N 467.563 0.520 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1839130716 PBUDUZDTAWGCCB-IMWIBFENSA-N 481.590 0.911 30 20 JCED COc1ccc2[nH]cc(/C=C/C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)c2c1 1839221768 OHOJGTFAXOORHX-QBFZGYHOSA-N 467.478 0.734 30 20 JCED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488050 USWXTSZGPBGBNJ-IGCHPXFFSA-N 454.531 0.878 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489439 VWECBORHBXJXCW-DEOSSOPVSA-N 476.493 0.726 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839636314 KRVRGLMAOTXCIY-TYBLODHISA-N 470.570 0.782 30 20 JCED Cc1cc(Br)c(N)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041622 XTNLXLNDVDYVJA-HXUWFJFHSA-N 480.315 0.498 30 20 JCED Cc1c(Br)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)nn1C 1840161805 BGSFTPWSAWMWGY-SJCJKPOMSA-N 461.382 0.879 30 20 JCED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840199274 VKSCUEAFFQSOMV-RUCZPBRESA-N 459.565 0.086 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cncc(C(F)(F)F)c1)CCO2 1840340012 LWYGZHWKYXHTBT-HXUWFJFHSA-N 469.416 0.577 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840355447 FSPORANMZBAGHP-QFIPXVFZSA-N 457.918 0.830 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2cncn2)CCO3)c(C#N)c1 1840420261 FVPYDWALHWFJLB-SBUREZEXSA-N 468.514 0.418 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840488467 MOJQROYVDIHQSS-TVNLQBFESA-N 499.568 0.863 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840772645 YPEIASMLVVEDSQ-CVDCTZTESA-N 498.573 0.872 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1)NC(=O)OC(C)(C)C 1840796084 STCNIDYJCCYISM-IXFSTUDKSA-N 468.595 0.897 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1840818187 PKZQXAZEQPUSIT-GMAHTHKFSA-N 455.467 0.720 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1840819762 DECPGUSIQBNNQY-SANMLTNESA-N 490.516 0.951 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840845188 MBPUKJFXAJFQRL-XMMPIXPASA-N 478.590 0.409 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840897325 WMNWZLHOPUHWAD-LIRRHRJNSA-N 472.589 0.104 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1840906915 LHRCDELWCWTZDC-XFAGBWLFSA-N 494.589 0.274 30 20 JCED CC(C)C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)N(C)C(=O)OC(C)(C)C 1840917529 YJBOUELNWJRCDA-MHECFPHRSA-N 495.573 0.812 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1846905384 DJEMROAZRBFRTQ-GOSISDBHSA-N 475.567 0.563 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)c(Cl)c2)c1=O 480316683 CICDTKYRNLAWRU-UHFFFAOYSA-N 467.378 0.705 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc3ccccn3)c2=O)cn1 523180306 JIQMMQNRIBJQTF-UHFFFAOYSA-N 466.567 0.945 30 20 JCED CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c2ccccc2O1 604141499 HGGVTQSCDVUAOS-OAQYLSRUSA-N 487.520 0.915 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O 608912327 RIRBNIWEGGAHBV-UHFFFAOYSA-N 464.503 0.017 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(=O)N(C)C 728039076 FZELOWBTSKKCDK-UHFFFAOYSA-N 480.468 0.702 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCS(C)(=O)=O 729673637 YYCRHCCZBJLSAL-UHFFFAOYSA-N 484.603 0.778 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 748107985 QDYGJPFMRHWTTR-UHFFFAOYSA-N 464.504 0.300 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)cc1 858005175 COLSIWXIXUQJOK-OAHLLOKOSA-N 451.501 0.444 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)ccc1F 914658929 RKXOTSUUCLQDOB-AWEZNQCLSA-N 462.521 0.482 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 917343234 PCMRXPQCSIHSRH-UHFFFAOYSA-N 483.550 0.394 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 917750389 PXSRUFAOALPMRT-QJOMJCCJSA-N 477.524 0.830 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 918400953 RALGKHOPBQSJDN-CLCOLTQESA-N 490.586 0.798 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](c3nncn3C)C2)c1 918440277 SCEQJBKPFKWQCS-WZTHKDHVSA-N 473.559 0.973 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1503839880 RCWAIAUSBXTXQE-LJQANCHMSA-N 489.602 0.436 30 20 JCED C[C@@H]1CCCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1512185997 MBAJXXPCAXCBHE-AKHDSKFASA-N 481.623 0.460 30 20 JCED CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1516855160 XEJMQFFLTLLPFK-QGZVFWFLSA-N 460.564 0.315 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 1517413934 PKUNQSYXCGULKD-NRFANRHFSA-N 459.576 0.401 30 20 JCED N#Cc1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1653350970 UQWYCAQIXBQVEL-UHFFFAOYSA-N 450.527 0.653 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1696633532 UHDCZRWPCUMCDC-UHFFFAOYSA-N 483.602 0.764 30 20 JCED CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCN1CCOC 1727795181 XOAMZPACKDZGDH-LJQANCHMSA-N 461.592 0.913 30 20 JCED CCCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1728199460 OHCUAXDKRRRTER-INIZCTEOSA-N 461.548 0.450 30 20 JCED CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1729597617 NEMDPBSRKDTJGK-IBGZPJMESA-N 486.602 0.109 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC(=O)N(C)C 1741939158 ROGZLGSNDHNPTH-OAHLLOKOSA-N 492.581 0.704 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1766727809 XJIKGYKPHDCJQS-SFHVURJKSA-N 456.532 0.799 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138896 GYBFGVGBYHDUFO-IOJRYNMNSA-N 453.499 0.742 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780921861 BHWWXKJDIQPGOZ-NRFANRHFSA-N 496.536 0.883 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)ccc1Br 1781045646 WKSBJQKNADZNEB-KNBMTAEXSA-N 463.332 0.487 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)CCO2 1781268719 VEZSYZDYYJOLBS-AFBRZQFHSA-N 452.533 0.128 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]4C3)cnc2c1 1786858517 YJWUBAGLPIBKNV-IHPCNDPISA-N 480.569 0.878 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC(F)(F)C1 1788147117 PBNNARXGPISEDZ-YVSFHVDLSA-N 499.511 0.946 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788706265 TZSPEIQNSWYWNF-GZJIRTPMSA-N 488.545 0.104 30 20 JCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1789809843 KTBXFPANOLGZET-KNJMJIDISA-N 463.575 0.997 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789840825 PRXDBMYSFGSYHW-OKYOBFRVSA-N 475.542 0.751 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790860158 PDYFJPCCYMGXLK-KGWSWXIGSA-N 498.580 0.973 30 20 JCED COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1791133893 GGGMWUQLEIWNLO-FKBYEOEOSA-N 480.602 0.734 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794506528 JVSWKDAXVYYRSL-QSNWEANLSA-N 486.573 0.412 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nncn2c1 1797466006 WNHXIUPNOAAPMR-AJYBTWMASA-N 482.541 0.849 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797836250 DEFALCIZLTVANL-NFDRMNTRSA-N 474.539 0.542 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1797838132 MUGIFUOPAFPVMM-DDZPXRNESA-N 480.481 0.594 30 20 JCED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1800489187 GXYUDGNSULVAQN-ZXFNITATSA-N 450.499 0.986 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cccn1 1801390338 CNUGLEAUCMKWKB-ZSXDVEMLSA-N 459.547 0.950 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccnc1)C2 1802125233 QTMKOVWKCMSVTI-QTMHVTGLSA-N 459.547 0.950 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819897936 FKXGHZSAAIWFDY-CFNUAEIOSA-N 486.514 0.629 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)C#CC(=O)O)n[nH]3)ccc21 1822200506 LSSUAUHGSOKTIP-HNNXBMFYSA-N 450.455 0.994 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)C#CC(=O)O)CC4)C[C@H]1CO2 1822632448 HTGYDCBXGSUWQD-IFMYKAFSSA-N 490.538 0.922 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828525298 OEGLIXZYCOYADE-UZUQRXQVSA-N 476.530 0.550 30 20 JCED O=C(C#CC1CC1)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)COCCO)C2)C1 1828574563 DCKBOEZFZJKUKY-RUZDIDTESA-N 469.538 0.861 30 20 JCED CN1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCN3C(=O)OCc3ccccc3)C2)CC1 1828807648 JHVGNKHRMDOZLF-VWLOTQADSA-N 482.585 0.600 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN)C2)C1 1829125309 WUNVJOCGKXXDPN-CYFREDJKSA-N 458.559 0.970 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1829759188 ARRMCAWTBTYBFX-FUMRIQNTSA-N 472.498 0.452 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC[C@@H](C(=O)OCC)C3)C2)C1 1829762736 PYCNUPQSGRKIDM-CHEWMSOQSA-N 491.585 0.671 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(F)ccc(F)c3F)C2)C1 1829763022 YMWUOUYYDWMXRH-IYZQMXKPSA-N 481.471 0.961 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)c3ccc(O)cc3)C2)C1 1829768727 GIMZVQLQNNQKEU-FTVUIBSFSA-N 457.527 0.811 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cc3ccccn3)C2)C1 1829773141 BWQRLDGGTSAOEA-RHPOUKCLSA-N 456.543 0.575 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)c3ccco3)CCO4)c2c1 1829828668 NZHSISSFKFSOAG-NZQKXSOJSA-N 465.466 0.831 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCCC2)CCO3)c(C#N)c1 1829877152 PXRZOTYZUBNOHN-DEOSSOPVSA-N 456.543 0.662 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1830054382 PFVUGQCHULHKCB-QFIPXVFZSA-N 463.556 0.857 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1830300824 REROUILWWHESED-SGRCOUCXSA-N 498.577 0.885 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3c(C)cccc3C)C2)C1 1831396882 LYZPIKZHAKHDGC-CYFREDJKSA-N 457.527 0.737 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1831402386 XMJXBNHESCJPPN-OLXFPMQJSA-N 491.585 0.594 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccn(C)c2=O)CCO3)c1 1831890679 OGXWHBNMUGRTSU-DEOSSOPVSA-N 450.495 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)/C=C\C(=O)NCC=C)CC2)CC1 1833074675 YRKGMOZQOHKYLP-ISTTXYCBSA-N 457.575 0.275 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1 1833401582 SYFMFTSHMZAAQM-NRFANRHFSA-N 462.528 0.249 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)c3cccc(N4CCCNC(=O)C4)n3)CC2)CC1 1834034066 ASEFVOFWWNRCNZ-UHFFFAOYSA-N 452.559 0.226 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834765289 CRXSMLJSWUJVFG-FDDCHVKYSA-N 458.515 0.919 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768645 HPTDBWOKZAKRQH-JTSKRJEESA-N 476.534 0.216 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1835677851 OVUCOXBTXOKDCM-QFIPXVFZSA-N 481.500 0.595 30 20 JCED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1835683551 KNZQWNOWNVRZMV-JOCHJYFZSA-N 450.624 0.613 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c(C(F)(F)F)n1 1836321823 LIXVZOQEJKOMJK-HXUWFJFHSA-N 495.414 0.836 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836848175 JNIAFCYPTDJWDE-JOCHJYFZSA-N 457.487 0.309 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1836859037 KUDSNCSRXARRQU-LJQANCHMSA-N 462.591 0.187 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1837397274 OECULGMYJYOCAP-ZHRRBRCNSA-N 451.495 0.872 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446638 LVDNFOIMZFPORX-TVRDVRDVSA-N 476.574 0.670 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837496989 SJQHHVWBAAVFDR-XUZZJYLKSA-N 487.509 0.052 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1837525383 VLUJCHOYLUFERO-RVZOMNRZSA-N 460.531 1.000 30 20 JCED O=C(C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1ccccc1 1837527536 PKDISQBSEUGJQE-CELOQEIPSA-N 459.499 0.855 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncsc3[nH]1)CCO2 1837747047 QYFZHMJGMBEPAS-VKUXZERMSA-N 459.528 0.553 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1837950695 UYMCYINOBHZOID-HSZRJFAPSA-N 481.465 0.195 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)cc1 1838501514 IXRVVQAADGLMAM-XMMPIXPASA-N 474.477 0.345 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)C3)C2)cc1 1838950324 JEJRUHKQIBWDQZ-CJAUYULYSA-N 493.520 0.635 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839079133 ALGWCTZNKNHTTL-UAKAABGRSA-N 496.605 0.025 30 20 JCED CCC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131219 SGLMWUQMWXDEBW-DEOSSOPVSA-N 492.573 0.963 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C)[nH]n4)C3)C2)c(C#N)c1 1839132901 SKTVVXVGMHWXCD-QHCPKHFHSA-N 453.499 0.911 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839205639 YWYJBBXXOXDOGB-OPAMFIHVSA-N 466.535 0.022 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839577429 QRHXESMRXJHWOP-NYHFZMIOSA-N 476.555 0.787 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839726750 FZEBIUHWSKKOMP-SSPYTLHUSA-N 456.543 0.382 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840016729 VMTZNEPDBJLKCR-VWKIKIOWSA-N 469.538 0.944 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1)c1ccc(O)cc1 1840220147 ABXMKHJVUQBLNY-HFZDXXHNSA-N 494.548 0.603 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1)c1ccc(O)cc1 1840221901 RMPFBNREINDJBK-YIXXDRMTSA-N 498.624 0.593 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1840292535 WNFVVRDWOZSKIM-NTKDMRAZSA-N 480.606 0.879 30 20 JCED NC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1 1840647512 FTKKWYMPNHWLAN-OXZVPYCZSA-N 474.514 0.385 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1840843656 XHHLUPJCZNFGIO-SANMLTNESA-N 495.576 0.951 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)cc1C#N 1840922478 RKDXFKQFIJQHPD-QFIPXVFZSA-N 459.503 0.084 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)C2 1841052937 GFONUZFRNARULO-LENZSSGSSA-N 474.583 0.724 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC=O)C1 1845178651 ARCMYLIIDIZMDE-JKSUJKDBSA-N 481.550 0.130 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](COC)NC(C)=O)C2 1847069618 PVGTYYWWMFYBEQ-IRXDYDNUSA-N 450.536 0.258 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 503267324 SOBIHZJOJRNOGX-UHFFFAOYSA-N 481.534 0.946 30 20 JCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 508949591 KKRMPDSUQNEZOV-UHFFFAOYSA-N 457.512 0.704 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(C(N)=O)cc1 522541604 OTQOBVPKRSNKCI-UHFFFAOYSA-N 472.526 0.738 30 20 JCED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccco3)c2=O)c1 603495290 AFMDVCDAUVCZRL-UHFFFAOYSA-N 464.503 0.812 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(Cl)cc1 603789759 BQPFVKCJUTYYIP-UHFFFAOYSA-N 495.992 0.899 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O 608911349 BPOZWIGSOVJUDK-UHFFFAOYSA-N 493.383 0.203 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)n(Cc4ccco4)c(S)nc3c2)CC1 728533231 DMSQNJZHVORCGU-UHFFFAOYSA-N 465.535 0.834 30 20 JCED C=CCn1c(S)nc2cc(C(=O)N[C@H](C)C(=O)N3CCS(=O)(=O)CC3)ccc2c1=O 729270470 HOTIXQMARDAGNS-GFCCVEGCSA-N 450.542 0.247 30 20 JCED N#CCOc1cccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 915752414 BPYIOHKNQLSPFC-UHFFFAOYSA-N 464.525 0.926 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 917687961 HDFMPPZYITZWAE-SAZKUCFMSA-N 495.583 0.603 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 919846082 SIWSFXFXVRJDGA-HAVVHWLPSA-N 472.527 0.641 30 20 JCED Cc1ccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1304267550 STGUXLGGLJAAFQ-IRXDYDNUSA-N 476.534 0.787 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1512583137 QFILWRMOESLKHJ-BPXKWBHBSA-N 490.586 0.659 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1545098903 OBRSLSFWLHMQNH-MANSERQUSA-N 483.639 0.849 30 20 JCED Cc1nn(C)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1693400199 GLZWQEKXADOCPA-WMLDXEAASA-N 461.596 0.464 30 20 JCED CCCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1695205235 LUDGWWMOGUWUFG-VQIMIIECSA-N 457.576 0.785 30 20 JCED CCS(=O)(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729228748 URKSFFVLRYFSBH-INIZCTEOSA-N 492.631 0.385 30 20 JCED CN(C)[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCSC1 1729326645 WDTSEAYJPLXVAB-SNRMKQJTSA-N 487.627 0.490 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)CCS(C)(=O)=O 1740738633 JLKYTLIWNFLNLI-NSHDSACASA-N 458.404 0.668 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOC(C)(C)C1 1741803539 RBFGPKSEXMOVDA-IAGOWNOFSA-N 469.612 0.460 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749086765 NZDNYMJPEFHPOJ-AAEUAGOBSA-N 465.374 0.138 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1761481717 TVULTQISBSWVFV-ZBFHGGJFSA-N 458.610 0.986 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1766880284 KNJISHQUCJCPCM-UHFFFAOYSA-N 453.547 0.568 30 20 JCED N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC(=O)NCC(F)(F)F)cc1 1770733102 RLRQUMRTIMJOTB-UHFFFAOYSA-N 465.436 0.966 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2 1778096893 RWIIFKSOTQHGNH-VURNCLMJSA-N 485.499 0.726 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)CC1 1778114921 JQIDWBWDKBYPHI-JOCHJYFZSA-N 478.546 0.812 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1779066836 ILJIBKSUKXXVNJ-AREMUKBSSA-N 466.582 0.912 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1779103166 NPTXFUFECVACOY-HWIIHTTPSA-N 475.527 0.729 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1779333055 UMBMOWZGJIQMJF-YZZKKUAISA-N 459.547 0.327 30 20 JCED CC#CC[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2)c1ccccc1 1779478103 GFJIPTQTKOHSNV-CLCZQPDDSA-N 485.625 0.984 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C3=C4c5ccccc5C(=O)N4CC3)C2)C1 1780005319 MLSRSBPYDNBANY-PAUWSZDUSA-N 476.533 0.946 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CCN4C(=O)Cc5ccccc5C4=O)CCO3)C2)c1 1780331614 YQWQNOWZVPDFOD-VWLOTQADSA-N 475.505 0.945 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781173774 WWXZOXFUZJAKOX-WAIKUNEKSA-N 457.531 0.647 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO3)c(C#N)c1 1781173885 XLHVJHZULQVJJY-ZJSXRUAMSA-N 487.509 0.434 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1781263862 GWODPUZIRLDXME-KSFYIVLOSA-N 469.535 0.211 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1781295609 NKDRUNMYEWOSTO-DGGJZMOXSA-N 464.563 0.812 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782057724 ZTDLFTPEZQWVSN-REWPJTCUSA-N 457.483 0.805 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783134622 AISXLAUYDHSGQO-XZDHIHRUSA-N 472.542 0.602 30 20 JCED CC(C)[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783567455 PULYYALKYOJTJL-ZHRRBRCNSA-N 451.520 0.844 30 20 JCED CC(C)[C@H](CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1783762129 DNMFFYMAMCSJOB-KSFYIVLOSA-N 451.520 0.844 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1)C(C)(C)S 1783781799 OVECFAKXGQBXQY-JLTOFOAXSA-N 473.596 0.086 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)C1 1784383145 RPRRXXUQPHYOJX-FCMAGTKHSA-N 475.586 0.997 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1784505594 RUWXJVALTWDIQW-WLNKUXMVSA-N 481.590 0.929 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378486 FKTSNWGJBRINSS-UUOWRZLLSA-N 488.541 0.653 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785516338 OMGYGKLVPOKJMY-QZMQVMSPSA-N 481.546 0.311 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)NCc3ccco3)C[C@@H]21 1786859102 KREUNBMMYQZTLD-MKTSTNRYSA-N 471.558 0.714 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@H]32)c(C#N)c1 1789839831 MWCCBPZOHMKIJS-SEONNTABSA-N 454.527 0.615 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1790175198 JGYBAMADSZNLDP-RYLXDESZSA-N 479.574 0.508 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1nc2ccc(F)cn2n1 1790529730 LKHBUXNFFPNEJY-SQTLORCTSA-N 474.493 0.991 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791077749 HIILRFCUFKGMAD-DFQYRXGOSA-N 475.542 0.701 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](Cc4cnc[nH]4)NC(C)=O)[C@H]3C2)c1 1791542675 FUNGMDCABHIETJ-QMZRJTEUSA-N 494.552 0.631 30 20 JCED C[C@H]1[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CCN1C(=O)OC(C)(C)C 1792348948 UYXIEINTUGYWOA-ATIWLJMLSA-N 463.531 0.700 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793085065 VZWRWMFIAKVHHW-RZFLPCETSA-N 469.579 0.425 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cc(C)n(C)n2)c(C#N)c1 1793131170 HNWBUVOOCHBFBQ-NHKMSHSESA-N 451.527 0.984 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2cc(Br)ccc2c1=O 1793645771 VHDZSEIGKNIBBF-QDMKHBRRSA-N 487.310 0.885 30 20 JCED Cc1nn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)nc2s1 1793663252 YJJTWRVIDHUWKM-IKGGIKOKSA-N 459.576 0.703 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccccc2)C1 1795277816 NCQIZCWZRKECCD-FPQOSCNCSA-N 483.565 0.856 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1)C(C)(C)S 1795855326 CIFVXHWWNOHYLF-YALNPMBYSA-N 482.607 0.469 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccc(-n2c(O)nnc2O)cc1 1798598733 DMHRTHDRDXSDKO-RMFSNUHRSA-N 495.536 0.580 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1nn[nH]c1C(F)(F)F 1798711455 PMFWUAQZPPFOEI-AGGWBTHJSA-N 455.437 0.725 30 20 JCED O=C1CN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#Cc3ccccc3)cc2)C(=O)N1 1799613180 OOGBMKSPXVPQDB-BRTYFSMRSA-N 486.528 0.841 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1800800080 PMHLSSYFMJZRRZ-AXVVYFOYSA-N 463.531 0.446 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2)NC(=O)OC(C)(C)C 1801930468 KCKWDTVKPNJEKC-OMNJKAEPSA-N 466.579 0.960 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808693734 MNHLCCRLBIPDST-ABSDTBQOSA-N 474.514 0.451 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1810216186 UOFLMESPDWHOPT-IRXDYDNUSA-N 463.531 0.676 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)COc2cccnn2)[C@H]1c1cccnc1 1813385637 SOOYDICQBWCNHS-ADWLJLTJSA-N 450.499 0.815 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)O)C2)C1 1828584145 WYWPKDOGBSZKAQ-GLDPYIMESA-N 457.527 0.858 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1829267729 ZTQUVCCAUVYQSC-JTSKRJEESA-N 451.487 0.319 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)C1 1829768782 HCJXJADIVJHHFU-JJFYRIPOSA-N 498.536 0.334 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1829771233 MYCGSYPRJKIPSH-KSEXMQBYSA-N 453.499 0.263 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](CC)NC(C)=O)CCO3)c(O)n1 1829851841 XGOCVBQGECSGSX-RDPSFJRHSA-N 474.558 0.891 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1829860111 NQIDEFQAXUJTPX-OFNKIYASSA-N 458.515 0.552 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CCO2 1830385619 OHXZVEXZVRVLDB-RCHBHCHASA-N 487.619 0.681 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1831397674 VNOUVBRFMVBTHN-WZONZLPQSA-N 453.499 0.376 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831411580 YOHFDIWZZPOTDY-MFDGSOIASA-N 453.536 0.955 30 20 JCED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CCC1=O 1832381168 ULLDBFYKZMBYKY-QHCPKHFHSA-N 479.497 0.113 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c(O)n1 1833699915 HRABNIRRTFOFMR-QFIPXVFZSA-N 486.485 0.921 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)nn1C 1834120814 VBFUQMITDYSHJZ-HSZRJFAPSA-N 463.498 0.860 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)no3)CCO2)C1 1834230545 NFYSBFJOVTZAOU-UZUQRXQVSA-N 476.530 0.970 30 20 JCED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834760417 CQKWGNLKIAQMBC-HOIFWPIMSA-N 450.536 0.859 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835124394 FQBXAMNSVRSQPC-LLJLJFOGSA-N 494.589 0.581 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835349724 SUCUFOIYSCHORL-JPYJTQIMSA-N 478.567 0.127 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 1835645144 UXROBTRYWDFXBQ-OAQYLSRUSA-N 457.531 0.808 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835667585 IWXNSOSLLAXKOA-XMMPIXPASA-N 453.543 0.839 30 20 JCED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1)C(=O)O 1835766643 SJZCXSHNYFMSLS-QUZZAMIASA-N 458.515 0.446 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835778584 RGPJRECQJUDJFC-HAFIMRKLSA-N 481.619 0.598 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)c1 1835998352 WDSCERHPZXSHLQ-QHCPKHFHSA-N 454.458 0.629 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1837399668 ZCUXUNRRDVEYMC-BXKMTCNYSA-N 471.510 0.465 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1837403590 OFDNFEMUECDTEE-XXBNENTESA-N 498.573 0.872 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493445 FXWKRFXWXBCZOY-DEOSSOPVSA-N 457.527 0.363 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nc2nccn12 1837529955 HGRFBHULVIGRGN-LDVHSUHUSA-N 486.529 0.637 30 20 JCED Cc1nccn1CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837532200 ADUITMLCIUAQAV-FYPJQRNGSA-N 477.562 0.957 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cc(Cl)ccn3)CCO2)C1 1837649150 DFNUWOAGGDNXCP-HRAATJIYSA-N 451.907 0.609 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838254576 IKDMCVPIEFRKCO-FQEVSTJZSA-N 450.927 0.482 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2)C1 1839073882 YBXJRNKMQYXFLG-HXOBKFHXSA-N 469.579 0.929 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c(C#N)c1 1839132358 DFMIVHHGFVDEJV-DEOSSOPVSA-N 497.508 0.140 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185626 GLUROHQJQWSBMG-KSFYIVLOSA-N 481.546 0.377 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO3)C1 1839203372 JTFNKOXNSGNXFW-JPYJTQIMSA-N 467.563 0.685 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1839227594 UXIBVYGSXNMPCF-HRAATJIYSA-N 450.540 0.904 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042229 HIVHCXFALVPVPX-GAJHUEQPSA-N 479.530 0.320 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc4[nH]ccc4c3)CCO2)C1 1840079926 FKNJKCXQGSAQLJ-MHECFPHRSA-N 454.527 0.990 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1840218605 JUKRROBGIWHATJ-DHIUTWEWSA-N 478.546 0.118 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1)c1ccc(O)cc1 1840219070 AFHRICOJLLNJKH-RDPSFJRHSA-N 492.594 0.780 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840363385 VOUSQEQKOOVBMP-RCXBTSAPSA-N 455.515 0.683 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1840906853 KQHABHQFRJBPFU-QMHKHESXSA-N 493.536 0.844 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3C)C2)C1 1840907241 RPHJGDBYIOMNJK-MBSDFSHPSA-N 476.530 0.970 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1840909593 WWIYAMVORIQWCY-IUKKYPGJSA-N 490.561 0.212 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1)C(C)(C)S 1841962733 DNOTZKHUKQSLOH-TZMCWYRMSA-N 483.591 0.390 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2)C(C)(C)S 1846301734 PDZPMBUIQABLDB-CQSZACIVSA-N 453.565 0.667 30 20 JCED C=CCOC(=O)c1sc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C(=O)OCC)c1C 24906449 MYDZCOQEACQACA-UHFFFAOYSA-N 489.510 0.962 30 20 JCED COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1OCC(N)=O 505807683 SOLXWMNNWPCAFD-UHFFFAOYSA-N 487.538 0.647 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C1CC1 609074844 QCLSXJAWWMYHEL-UHFFFAOYSA-N 478.496 0.613 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(C(N)=O)cc2)c1=O 726574975 ARLKCLPBBORVIP-UHFFFAOYSA-N 462.535 0.130 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CCC(N)=O)C2)c1 727232137 XUIFESKCRZYZAB-TZBHCYISSA-N 463.560 0.942 30 20 JCED Cn1[nH]c(Br)c2c(=NCCNC(=O)NCCNc3ncccc3C#N)ncnc1-2 729603797 LJONFNMKOHUUSG-UHFFFAOYSA-N 459.312 0.589 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCS(C)(=O)=O 729671980 ZGEWMQOFKLOPIU-UHFFFAOYSA-N 453.973 0.637 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 769639163 JJZRTGJZMSJQEE-UHFFFAOYSA-N 462.509 0.668 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2OC(F)F)c1=O 838161772 BBUJWENXZAPEPK-CYBMUJFWSA-N 467.494 0.812 30 20 JCED COc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)c1 839304189 YAJMMIHGDIPCNU-UHFFFAOYSA-N 451.508 0.003 30 20 JCED Cc1ncc(CO)c(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1O 916256390 UWBXGCZVYABFOJ-UHFFFAOYSA-N 451.461 0.963 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 916676971 XLBZITAUVRCIRX-UHFFFAOYSA-N 461.565 0.763 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CCOC 917768120 CFZCVTKPMOMBSS-UHFFFAOYSA-N 479.562 0.669 30 20 JCED N#Cc1ccc(NC(=O)CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1Cl 1191753919 PODDHYPFAXEARU-INIZCTEOSA-N 453.952 0.071 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1300880724 PAHAEAXTAJRXIR-UHFFFAOYSA-N 467.530 0.394 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1300882643 KNGTYLPKWZGQRN-KRWDZBQOSA-N 458.544 0.546 30 20 JCED CCN(C)C(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1313558440 RHUJKGSNLCFROD-OAQYLSRUSA-N 466.590 0.850 30 20 JCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COc1ccc(C#N)c(Br)c1 1350690981 YUNYHUFIUQDVJJ-ZDUSSCGKSA-N 458.334 0.851 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1541703900 CENYQPDOOIZBHE-HSZRJFAPSA-N 453.547 0.615 30 20 JCED N#Cc1ccc(OCC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1Br 1546242086 QMUQNUKNTQEPHZ-CVEARBPZSA-N 458.334 0.314 30 20 JCED CC[C@@H](C#N)Oc1cc(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)ccc1OC 1683666523 QQSVPJMDIQUWHH-KRWDZBQOSA-N 453.565 0.753 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1690870569 SXHKNYWRUHYHJO-GOSISDBHSA-N 457.510 0.889 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(Cn2ccnc2)c1 1692805561 UXTOAVQDBFAIOT-LPHOPBHVSA-N 470.559 0.910 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(C)C 1706810617 YUUBHIRJYAEHRV-SJORKVTESA-N 452.567 0.727 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 1722796591 VTXCCFHOBFESBG-UHFFFAOYSA-N 493.616 0.191 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1729682979 YOFIINYQYXBSSM-QGZVFWFLSA-N 458.544 0.593 30 20 JCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1769322830 SFXUNNOGTPHJIB-UHFFFAOYSA-N 450.547 0.697 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1771150196 MCPUBPQFIYKTPU-UHFFFAOYSA-N 469.546 0.356 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1)c1ccccc1 1779184423 INZPAKOZKUOJEE-DVECYGJZSA-N 452.511 0.565 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779360537 ABKMDSCVMRZCKL-SJMJVDTDSA-N 471.624 0.300 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccc(Cl)cc1)C2)[C@@H](O)N1CCOCC1 1779409961 JJKPDIZYXKJDMW-AGILITTLSA-N 475.973 0.856 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780950606 WBOZPJUXDCZOHA-VMMAJHOLSA-N 456.503 0.631 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)C(F)(F)F)C1 1782236272 KTRBHOSJVLTORU-HBUWYVDXSA-N 450.458 0.980 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c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n3ccc(C)n3)CCO2)C1 1785573124 QYQFZRWINUMHIF-MBSDFSHPSA-N 459.547 0.938 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1785576487 DMJSRXXEHMCMNC-SZNDQCEHSA-N 476.490 0.678 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1788676813 LQGOXBUDMWDIOJ-CBTNODTISA-N 483.525 0.685 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1789853851 SACFSZRDURVROR-ULQDDVLXSA-N 450.536 0.811 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1789891300 LPDKLRWCFWHOAL-BQFCYCMXSA-N 462.503 0.202 30 20 JCED COC(=O)[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21)NC(=O)OC(C)(C)C 1791193298 BTHQWVMVPFWSEK-NXOAAHMSSA-N 480.562 0.972 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1791541682 WACZJWVEQOFCCY-SNJCGAMXSA-N 478.553 0.551 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1)N1CCN(C)CC1 1792147394 QCQQUMPTTWFBEY-ANZJIFDASA-N 469.586 0.553 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1793088060 BETVCYYXTYQFOM-HATOLVCRSA-N 479.574 0.547 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cnn(-c2cccnc2)c1 1794445329 OHWBJMLZSUUOJJ-ZDNDXLTCSA-N 451.531 0.942 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1F)C2 1797669311 OEKZEGDPQLIMKK-ZKZVPCBQSA-N 498.552 0.740 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744205 WYRYSIUOQJWHMR-LCPNOXIYSA-N 456.547 0.261 30 20 JCED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2cccc(C#N)c2)C3)no1 1797826278 RJXIAHXEGNVFGS-BBIADKPPSA-N 465.510 0.807 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1O 1798388750 NXIFQMQOVNGSMK-XSORKIOLSA-N 473.530 0.855 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799071938 BYEWYTVMYAWXBA-FSDCSDTHSA-N 452.602 0.436 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C)C1)C2 1799235670 DTBMRCFAGWEBPE-IYWMVGAKSA-N 462.591 0.834 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCNC(=O)OC(C)(C)C 1799260423 MSYVIONLPXHOCO-BMFAXAFESA-N 489.635 0.842 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3sc(C)cn3c1=O)C2 1799303595 KKYNSYPJOKURBC-JLVBRIDZSA-N 474.539 0.777 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1799320327 DXUYSRZIZNYQPE-LVEJAMMSSA-N 466.579 0.947 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 1799332883 CNVLQUDZXUTIPJ-IKJLZNBSSA-N 481.590 0.833 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C#CC(=O)O)C2 1800778218 HOKZYHJROQTEBF-UONLAYADSA-N 475.542 0.842 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1F)C2 1800983058 OEKZEGDPQLIMKK-BQULAQKPSA-N 498.552 0.740 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H](NC)C(=O)O)C3)N(C(=O)OC(C)(C)C)C1 1801104044 WOPINZOVQYZXIP-OREBXVKISA-N 480.562 0.204 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2)NC(=O)OC(C)(C)C 1801930445 GVDXQPUGIWKEBE-GHHWKCCRSA-N 464.563 0.572 30 20 JCED CCc1nn(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)c1I 1801988474 CILYCXWBMAWGRX-ZSBIGDGJSA-N 484.294 0.927 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1803547630 MVPNYTCKWNYMLI-LMNJBCLMSA-N 462.572 0.551 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)CNC(=N)N)[C@@H]1c1cccnc1 1807063453 RDYBDCODYDWWHW-LNLFQRSKSA-N 471.562 0.487 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807950594 VALNTKKHUZCURC-QIIPPGSGSA-N 467.490 0.328 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1828581048 XHGMEFYFETWEOC-QOAPGFADSA-N 498.580 0.200 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1829260580 VDDKDQCOOQRTDP-DEOSSOPVSA-N 465.510 0.680 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1829692519 VEKRWWSXXQOVJF-BSRJHKFKSA-N 467.563 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1829764921 ZBWVBMONSSRENJ-YLNCNTMDSA-N 457.531 0.076 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3C)C2)C1 1829773456 KDDBZWHUAIGICL-KSEXMQBYSA-N 459.547 0.287 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(OC)c3C)C2)C1 1829773790 VXLOEYYYKFTXLD-KWQGRVAKSA-N 471.554 0.861 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)OC)CCO2 1829944392 CZDUMHPHFWDUSY-GAJHUEQPSA-N 467.563 0.784 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831341672 XUUVWARLKDGBBL-HXUWFJFHSA-N 453.492 0.202 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1831421494 KDJJUKOIPZTHKC-XXBNENTESA-N 480.583 0.898 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1831421631 NEFJTOIOKZXDJL-JTSKRJEESA-N 481.571 0.287 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)cc1 1832251421 QWSJUZIIQFTHPI-GOSISDBHSA-N 473.379 0.983 30 20 JCED CN(C)c1cccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1832526919 GPGFBVMUXNIZIU-RUZDIDTESA-N 487.601 0.870 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cc(C)c(O)nc2=O)CC1 1832772374 ZZHHIJDBODYOMM-FQQSSWHASA-N 471.558 0.735 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)CCO3)C2)CCC1 1833028672 RZNSFILMRYOQPS-WNSKOXEYSA-N 471.514 0.143 30 20 JCED Cn1cccc(C(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)c1=O 1833585137 QVXUIHUEVCTMNB-UHFFFAOYSA-N 456.591 0.852 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c(O)n1 1833699194 UUQAJYVWIRQKGP-HSZRJFAPSA-N 485.497 0.491 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncnn2C)CCO3)c(O)n1 1833839472 ZPBHVQGJFVKUSS-JOCHJYFZSA-N 456.503 0.418 30 20 JCED Cn1nncc1C(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1833899969 CSBJLOYJRSZWRW-UHFFFAOYSA-N 451.531 0.951 30 20 JCED C=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)N(C(=O)OC(C)(C)C)C1 1834677921 GWMUPTXNSAFLPE-IBGZPJMESA-N 491.637 0.607 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835390402 USKZLMIPXFACCE-PUZWTLIVSA-N 480.606 0.864 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c(Cl)c1 1835398035 BDBGBGGCCPHSBE-JOCHJYFZSA-N 462.934 0.614 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835761479 RATLVTMAULJDGA-HSZRJFAPSA-N 452.596 0.191 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835769229 OGQZTESBSALHSN-HWZSRVGFSA-N 483.566 0.152 30 20 JCED Cc1nc(N)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835803971 PJQHTKLOFRMNQR-BNYUCHOMSA-N 467.548 0.633 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)c(O)n1 1835993230 QRMBTGJLPIWBAD-RUZDIDTESA-N 482.537 0.838 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1836214594 RRRUMJYPLBAGLN-FDDCHVKYSA-N 490.561 0.300 30 20 JCED O=C(Cc1cn2c(nc1=O)SCC2)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1836337772 QGICTOZYTYRUNW-UHFFFAOYSA-N 469.611 0.877 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1837403170 IJWDXLXRETURFD-HOYKHHGWSA-N 470.526 0.979 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1837490664 KNZZSLPVFRIAIO-AZGAKELHSA-N 497.548 0.876 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1837529126 PUDRPUHDAUKWLC-ALUBYUQESA-N 471.514 0.933 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837531360 KLKCDDJMEANMQH-LFPRNVEMSA-N 465.551 0.444 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1837658532 OOBZSMUQJAZUFF-SFFGGSCWSA-N 488.589 0.215 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccncc2O)CCO3)c(C#N)c1 1837819313 HATIXUQKNLGPOE-XMMPIXPASA-N 466.494 0.980 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1Cl 1838595910 JKTQEFGVXVGROA-OAQYLSRUSA-N 473.873 0.797 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733070 MRZLNSKGPSPBLE-GAJHUEQPSA-N 491.545 0.232 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)cc1 1838950612 UDDWCDNAWXRGBV-NRFANRHFSA-N 454.443 0.433 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1 1839185389 YHJXXNBYZAHWMS-MBSDFSHPSA-N 468.595 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccc3[nH]1)CCO2 1839491158 GTDCCEPYUVFJKM-UZQCKINESA-N 453.499 0.491 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1839574023 LWMOLAKVSSROIP-DEOSSOPVSA-N 471.510 0.761 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1839841846 ZJBQLTFLTDVDFY-HOIFWPIMSA-N 455.552 0.541 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2)c1ccc(O)cc1 1839881292 RXIVLNPSHNRTIT-JYMRHQFYSA-N 471.554 0.870 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccc1O)CCO2 1839908510 ISWNWGBLOPMLBP-GOPWYIOASA-N 461.515 0.920 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncnn4C)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251600 OFRQQVGSEAVFKT-SBUREZEXSA-N 490.561 0.451 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1840818535 IKIAYUHEZQRZPF-RUZDIDTESA-N 484.553 0.796 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840844511 ZMWNZRRLHCGDDL-IEGUWTFLSA-N 465.547 0.227 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1841600522 FASKNGKXVRGAME-ROUUACIJSA-N 492.621 0.775 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)cc1C#N 1846877542 UGFNSOOYJPBNSI-UHFFFAOYSA-N 474.583 0.893 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nnn2c1CN(C(=O)OC(C)(C)C)CC2 1847802321 SKAFUGRELHMTQQ-ULQDDVLXSA-N 472.546 0.883 30 20 JCED CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 24733070 BVJSMQIZUFWSIZ-UHFFFAOYSA-N 462.553 0.922 30 20 JCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 105948499 BUEGDQDLDNSFOO-GASCZTMLSA-N 465.576 0.294 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc(Br)c1O 436799734 ZGSOQFHDQXOOTN-GFCCVEGCSA-N 494.367 0.722 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCCOCC 515923722 ASLWKMRUEZRSIK-UHFFFAOYSA-N 477.608 0.769 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)cc1 516404440 IBHXSVUMEHICNK-UHFFFAOYSA-N 482.522 0.559 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C1CCN(C)CC1 518595138 LQKMLZBNCXWMBK-UHFFFAOYSA-N 462.522 0.720 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 522277108 KHXJXSYZBMPMEX-OAHLLOKOSA-N 493.607 0.004 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 522278439 JFBPRWPEJSHZBP-CQSZACIVSA-N 460.512 0.509 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(C(N)=O)cc1 522530835 XFXCMMZLFQOWTC-UHFFFAOYSA-N 466.544 0.421 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 523088243 FXFMIEBTIWYJBY-UHFFFAOYSA-N 498.540 0.028 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1CCc1ccccn1 523180554 WNSUVJZPVQGPLK-UHFFFAOYSA-N 494.573 0.830 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCNS(C)(=O)=O 524281417 WAAWXFBHQYLFFL-UHFFFAOYSA-N 462.597 0.187 30 20 JCED CCN(CC)CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 553563243 JLBMJTHEZDDZJR-KRWDZBQOSA-N 456.590 0.194 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CC(=O)N(C)C 604270119 GPAHTOHLMFCNGL-UHFFFAOYSA-N 456.568 0.189 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(=O)N(C)C 604270347 NHUITVCEQKZWEF-UHFFFAOYSA-N 476.942 0.409 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 726577141 KEZJZLCTKPRXME-UHFFFAOYSA-N 468.922 0.909 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)nc1 729006889 NOMYGQHVRLXDHO-UHFFFAOYSA-N 459.480 0.888 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccccc2OCC(N)=O)CC1 757796466 BCMGHINWUVLBFL-UHFFFAOYSA-N 486.506 0.112 30 20 JCED C[C@@H](OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(N)=O)CC1 831544465 XKHKNJSLVAFELJ-OAHLLOKOSA-N 478.571 0.941 30 20 JCED CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 854019774 YHPHTGMQZFXNLD-YJBOKZPZSA-N 478.571 0.762 30 20 JCED COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 899872566 JDGLHDKYLSTFGK-UHFFFAOYSA-N 472.479 0.430 30 20 JCED CCC[C@H](C)N1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 917981899 NENZGVAGTPDLKM-PKOBYXMFSA-N 490.582 0.971 30 20 JCED C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[C@H]1CCS(=O)(=O)C1 919988840 FYBBLMOOAPOZNH-JKSUJKDBSA-N 468.553 0.825 30 20 JCED CN(CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 1139556073 MIJHJRJVSDZLFM-UHFFFAOYSA-N 454.505 0.413 30 20 JCED CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCN1CCOC 1306405936 IHINMJMMUSFGSP-REWPJTCUSA-N 488.614 0.913 30 20 JCED CCCN(CCC)S(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 1307746311 POOMPULAWKZBDI-HXUWFJFHSA-N 456.657 0.663 30 20 JCED C[C@](O)(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1510236607 TZRXODOHVLOGRU-DXIQSLLYSA-N 490.586 0.638 30 20 JCED CCN1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1515851162 HZUJODOTZJONMP-NXHRZFHOSA-N 450.613 0.549 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1541704207 NZIGJAKAOXUVMI-HXUWFJFHSA-N 453.547 0.879 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CCO1 1554443652 ZMLCYRHGYVVZNU-QGZVFWFLSA-N 460.560 0.981 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)CCOC)CCO1 1554452444 XMSPTPXKKLPYQL-XMSQKQJNSA-N 458.519 0.467 30 20 JCED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1665947100 LXLSGRHOJKZZEN-NSHDSACASA-N 455.283 0.421 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1692795065 NXPNNLURERGLGI-HKUYNNGSSA-N 493.682 0.091 30 20 JCED COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1712007802 OBRHIMVWHUJFHJ-WOJBJXKFSA-N 465.507 0.857 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC(N)=O 1740745486 VPBVFJOCLYDPFU-RYUDHWBXSA-N 465.374 0.220 30 20 JCED C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)N1CCOCC1 1741854026 DXAXNZFYMPYYSY-MSOLQXFVSA-N 481.623 0.462 30 20 JCED CS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1750206642 LDPNOXJOVFOUQD-UHFFFAOYSA-N 475.550 0.782 30 20 JCED CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1767417095 VRHJQCLZKHXBCW-OAQYLSRUSA-N 467.592 1.000 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1768432516 NYCPCLMYSQHDTJ-VGSWGCGISA-N 460.558 0.785 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778164845 IVMOTIVWVUINDW-DEOSSOPVSA-N 470.526 0.679 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CCO2)C1 1778972253 AXEMXFFFSPGAGI-HOZJOUCCSA-N 497.589 0.846 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1779067937 GKZNTVFXWVJORJ-URXFXBBRSA-N 471.510 0.816 30 20 JCED CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1779379818 RKOBQUYEAKZWEI-AUSIDOKSSA-N 473.599 0.935 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])C2)C1 1780119574 ZPSWGWCFRSLGFD-YLNCNTMDSA-N 471.514 0.963 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(N3CCN(C)CC3)CC2)C1 1780652045 ABHYHALQKKUUKO-HYBUGGRVSA-N 476.618 0.790 30 20 JCED CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC3(O)CCCCC3)C4)CC2)CC1 1780652808 PNJNGNPOPZMUBP-RCZVLFRGSA-N 486.657 0.979 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1780755425 XWWKLUFQCPKJSF-WJONJSRFSA-N 455.552 0.671 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CC)NC(N)=O)CCO2)C1 1781165086 DPROVSHKYQZFAU-LLJLJFOGSA-N 493.605 0.960 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1781310088 ATOULWIMQBSGCH-NRYAXDJKSA-N 497.556 0.935 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782568156 WXVHKZJBKNJRDT-VPUUYJAHSA-N 460.466 0.841 30 20 JCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1784539341 OGYYZIHKFNZDQL-NXHUNJGVSA-N 498.671 0.101 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(OCC(F)(F)F)n3)[C@H]2C1 1785606585 SOGFTQWZMRMXBZ-YDHLFZDLSA-N 455.389 0.704 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785609011 JWQDMEDYFDMVOJ-ZMPRRUGASA-N 483.566 0.386 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785631709 YQMITEBHXVCLDG-WZONZLPQSA-N 473.530 0.356 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)NC(=O)OCC)C[C@@H]32)c(O)n1 1785773451 HGVIVPIXRXTSSK-YRFFXBIPSA-N 476.530 0.564 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1786788230 BYWUNDMJAMTSFK-SZMVWBNQSA-N 469.862 0.396 30 20 JCED Cn1c(=O)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)nc2ccccc21 1788601012 SERJRZSCASUNMC-HLHOIMPCSA-N 480.569 0.999 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788661376 OMOMAIQNMQWHKK-RJSQYFKISA-N 455.508 0.111 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1789890754 LKUBFGJHTOCDKZ-WDSOQIARSA-N 499.524 0.781 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2 1793597674 RTQIDSHUDDACPY-MTHXSQLBSA-N 482.578 0.197 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1796394122 AHWOPVZDECEMDG-SDLRXTLFSA-N 481.594 0.587 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1799196760 JILZHIVZIYDRKE-MTHXSQLBSA-N 493.605 0.086 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CC(=O)NC2=O)C3)ccc1Br 1799708750 XVRMLIPOOASUFA-ZSBFGKGUSA-N 490.314 0.076 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)O2)C3)cc(C(F)(F)F)c1 1799783832 AJLSTICMNKJYIG-XRGAULLZSA-N 452.389 0.889 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccnn1 1800264132 UZVVKVHXLIQMAV-JCECYMMASA-N 462.551 0.898 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777491 UMLVOCDEJYZXPP-DLRJPAPCSA-N 463.531 0.844 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1800987273 MSQUXOSBHFLKFP-HGTKMLMNSA-N 468.576 0.660 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCS(C)(=O)=O)cc1C#N 1801533477 GQCZNXJOVPOWGH-RMFSNUHRSA-N 463.556 0.983 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801979218 KAXMAYXWHUVAFP-MVJTYMMSSA-N 460.531 0.848 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1802139685 AWOLYDPQXAXTAF-FZQIVQGWSA-N 462.547 0.324 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2nc3ncccn3n2)[C@@H]1c1cccnc1 1809226547 MVQUYZQVBUUQNR-RJARYPFESA-N 460.498 0.697 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCCNC3=O)[C@@H]1c1cccnc1 1809680383 YMIXZMFSZREQAJ-MMOPVJDHSA-N 464.526 0.770 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)CNCP(=O)(O)O)[C@@H]3c3cccnc3)c2c1 1812069746 KKPXOUYOOSYZPM-IIBYNOLFSA-N 497.452 0.874 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1815769959 XDHRSUAUJAHBPM-JKSUJKDBSA-N 456.503 0.699 30 20 JCED N=C(N)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828969841 RKJAFIISEOQPGL-DEOSSOPVSA-N 466.542 0.335 30 20 JCED C=C1CC(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCN3C(=O)OCc3ccccc3)C2)C1 1828990429 PCFANLMZVPWDOM-HFZDXXHNSA-N 497.596 0.998 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1)n1cncn1 1829334341 HUWBGEKMUILCQL-MHECFPHRSA-N 494.508 0.379 30 20 JCED NC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1829471020 ARTKHJIAVYINAD-XMMPIXPASA-N 467.526 0.520 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1829762617 MGOLNZCREYEKGI-WEHRJKGCSA-N 452.511 0.416 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830056530 DKUKDLRTOYTDCZ-NXMSCROESA-N 494.589 0.610 30 20 JCED CN1N=C(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)CCC1=O 1830457767 FLLXPDRBCHWPLQ-DEOSSOPVSA-N 467.526 0.555 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831192321 DCSXTXZWMKOGFZ-XMMPIXPASA-N 456.543 0.864 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1831431814 GZLKLTVWRKVZHE-HJPURHCSSA-N 458.515 0.940 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCN2C)CCO3)c(C#N)c1 1832065132 PLWHPBNBYMHDDI-XUZZJYLKSA-N 456.543 0.660 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833452116 XKLQLTRHAAEHBN-KIJZHVTOSA-N 484.667 0.358 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c(O)n1 1833700493 ZJVYFOAGGYTAJI-BXKMTCNYSA-N 472.542 0.502 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1835095761 CKMTXGAGMDNDCC-AFMDSPMNSA-N 492.532 0.501 30 20 JCED C[C@@H]1CCc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)n[nH]c21 1835676963 GLSCBLHNBFMFMT-WAIKUNEKSA-N 458.563 0.811 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1835795957 ITTBYTTVHZINMS-FLOSOGMCSA-N 495.584 0.879 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320431 CGJLOCRMUAJOMJ-QKKBWIMNSA-N 497.474 0.957 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1)CCO2 1836727787 UIIYHFPEEMLIQB-QFWMQHCXSA-N 497.564 0.830 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837211061 GHLCBFATLYXILI-LAUBAEHRSA-N 480.905 0.346 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1837446691 MOTRXKMCICNYSF-KPBWJWCTSA-N 482.585 0.681 30 20 JCED N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccccn1 1837489867 WYQHMYMUHXHILZ-XUZZJYLKSA-N 456.543 0.236 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837743756 SIKUHHXZPAMWSQ-VTGGFKIQSA-N 475.546 0.867 30 20 JCED COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)CNC(=N)N)CC3)CC2)c(C#N)c1 1837844776 KYBYFQVBCBRYQF-UHFFFAOYSA-N 456.547 0.591 30 20 JCED O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)CN1 1838404459 QMJMPJACOQECRN-NGONFYQLSA-N 450.536 0.650 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(=O)nc5sccn45)CCO3)C2)CCC1 1838417563 NVGATAQRYUZBKY-OAQYLSRUSA-N 457.512 0.520 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cn4[nH]cnc(=O)c4c2C)CCO3)c1 1838471113 HKEXWDHBMUZZRW-VWLOTQADSA-N 490.520 0.895 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838509656 SYEDBGNKRBRMDO-WEBAALOPSA-N 490.542 0.685 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)c1 1838905990 KQNDSIOTTMGPIY-HSZRJFAPSA-N 462.466 0.690 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)cc1 1838950574 PKCJDYHFJTUPNA-DEOSSOPVSA-N 463.494 0.453 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO3)C2)C1 1839138440 AHFYIYHVJIBVGH-HSZRJFAPSA-N 467.563 0.950 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185821 MRZHIOODHUGLEL-NRFANRHFSA-N 467.519 0.131 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839204604 FILCTMOALDQPCQ-HRAATJIYSA-N 454.524 0.022 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1839227692 JEXNTASISMIOFP-IERDGZPVSA-N 479.490 0.014 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839363219 PCYSLXVPLQURTR-QFIPXVFZSA-N 459.572 0.307 30 20 JCED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840026594 OSZHZHRRXZZOIO-GAJHUEQPSA-N 480.562 0.364 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840204481 SUUDXHWLCLHVEZ-FQEVSTJZSA-N 484.431 0.072 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1)c1ccc(O)cc1 1840220035 UJVIVHYDZJIOSG-CVDCTZTESA-N 478.567 0.390 30 20 JCED COc1cc(Br)ccc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840264839 SFJZIKROGPIGRJ-OAQYLSRUSA-N 495.326 0.545 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840484092 YJXGGXMHKGVTBI-HSZRJFAPSA-N 454.458 0.989 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1840715136 RQOBPDJDWKNICX-HJPURHCSSA-N 451.483 0.781 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840817965 CUVBVMJXYUSSJY-CVDCTZTESA-N 458.515 0.308 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1840840948 VPYHNAFXNPBJPA-ZHRMCQFGSA-N 457.527 0.036 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1840906965 NBVYVKXCWUTQIX-MZNJEOGPSA-N 488.541 0.774 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1 1840912387 FUICXEOOBMPFII-NPFVIJTESA-N 451.520 0.501 30 20 JCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)COc3ccccc3C#N)C2=O)cc1 9802700 YESVKCMKKZPRAE-QFIPXVFZSA-N 452.423 0.987 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 523256501 KCINEKVVCBXTCN-UHFFFAOYSA-N 488.573 0.060 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2c(F)cccc2F)c1=O 603793377 WYWRXPGCXZZKTF-UHFFFAOYSA-N 460.506 0.325 30 20 JCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CC1 728573743 UBPKFCNPBJFFSY-LJQANCHMSA-N 477.631 0.720 30 20 JCED N#CCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 731234272 BJWZMAKZDPMQNW-UHFFFAOYSA-N 456.524 0.990 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c1 747316148 GNYYJLWIARCNPN-NKFKGCMQSA-N 499.615 0.370 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)N1CCN(c2ccccc2)CC1 748241420 DMQSWVZIDKAWMU-UHFFFAOYSA-N 469.567 0.970 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 857836138 LIUHREALPUJHKB-GJZGRUSLSA-N 493.563 0.668 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(NC(C)=O)c1 913151395 GWMUVYCRJLLMCD-UHFFFAOYSA-N 494.577 0.637 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1 919846599 RAOKGFVDAXYOOR-HAVVHWLPSA-N 472.527 0.641 30 20 JCED C[C@@H](OC[C@@H]1CCCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 921228690 UUQPSAUFJGQTDG-MJGOQNOKSA-N 479.555 0.909 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1301759820 QBDZQNPLIKHWEH-SFHVURJKSA-N 458.544 0.832 30 20 JCED Cn1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1 1517426618 QFHDAVOJTMOQCI-AWEZNQCLSA-N 460.424 0.893 30 20 JCED CCN1CCN([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1547700119 LLXISYHCMHJEKW-ZWKOTPCHSA-N 453.551 0.680 30 20 JCED CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(=O)(=O)CC)C2)CC1 1547724632 SHWMIBQNJIFURO-OAQYLSRUSA-N 486.646 0.972 30 20 JCED CO[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1554722071 YZMWWCSHNCQUGH-UGKGYDQZSA-N 490.586 0.925 30 20 JCED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1710732262 YSAXDQUMZZAJQX-LJQANCHMSA-N 468.562 0.903 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760307874 WYTIYQDEUXLMLR-CXAGYDPISA-N 491.412 0.482 30 20 JCED COc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(C)(=O)=O 1768927771 UKIPQVDILFGORW-GOSISDBHSA-N 459.576 0.603 30 20 JCED CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1769339036 JTRVEQSENDAKFD-UHFFFAOYSA-N 454.510 0.874 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCOCC2)C1 1770349638 QGBTTYXDOLOBTO-IBGZPJMESA-N 481.623 0.463 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)c(C)n2n1 1777781819 GLNBSORZPHZRCG-DEOSSOPVSA-N 466.542 0.883 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1779066470 ZOVXIAPDQJDVEW-FHAGJXEFSA-N 457.571 0.916 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1779141277 RUFRQDGFPLAAPS-HBRDKIMXSA-N 450.542 0.389 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780399848 ZJSPEFXUEDCGNX-KSFYIVLOSA-N 462.503 0.527 30 20 JCED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(OC)cc2C#N)C1)C(=O)O 1780687050 VPYVLPQZBFOCNG-YOSAUDMPSA-N 472.542 0.686 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@@H](C(=O)N1CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1781063986 XVPVUOCQNODHTN-VXEMUYFQSA-N 475.542 0.940 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c(C#N)c1 1781174573 QBMZCRZPBXUIJV-DEOSSOPVSA-N 456.543 0.662 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)CCO2 1781268722 VEZSYZDYYJOLBS-KPHUOKFYSA-N 452.533 0.128 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783466607 WORAAPVMGBDCAA-GMWOSMDTSA-N 461.515 0.551 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1783706904 HZOOOOGXBNGFQH-QDZJNAQPSA-N 450.536 0.588 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1783862374 FQXXGKSQZUYZTH-VRFNXKQKSA-N 484.619 0.932 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)CCO2 1783915350 BDJLLFBABFESIB-GAJHUEQPSA-N 480.610 0.939 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785328125 JKJUSSOGYPOVAJ-SARNLOFESA-N 460.531 0.564 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(C)=O)[C@H]2C1 1786618757 AZVOXAAPHWYZQJ-FJIDUMEYSA-N 468.551 0.792 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]nnc5n4)[C@H]3C2)c1 1787272827 VMIMYMLAONMTRN-UHEFJODHSA-N 476.497 0.347 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(n3)OCCO4)[C@H]2C1 1787381274 SVSHYVFBYAMMNJ-BXWFABGCSA-N 457.531 0.728 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)CCNCC4)[C@H]2C1 1790618720 MVWZKRLRQZZTEB-UDDWMFPDSA-N 456.587 0.936 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1 1790846844 JLKIIXDURANYCV-KJJMTIBFSA-N 486.569 0.973 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1791258398 NLIXACJKBJCXQM-QQCJEOGWSA-N 471.620 0.902 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)C2 1793340904 QRSNHRQIIOAWBC-QSNWEANLSA-N 467.522 0.691 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C 1794571601 DHCGFCNJRCIQDP-MHORFTMASA-N 474.562 0.715 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795421993 NEBLHKJXKRNASQ-RCJHGTSTSA-N 466.535 0.726 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N)s1 1795688667 NWPKLDUOZHRMHO-FQLMCAECSA-N 463.560 0.845 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796400200 GVILTCBAOHXFGW-SSTJLMRISA-N 485.585 0.458 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1797711623 ZQJSRPJUDVTGPZ-WTLGNFPFSA-N 454.527 0.710 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccn4c(O)nnc24)C3)c(C#N)c1 1799237293 GHVKBICTCZZSOW-UPHUGPLXSA-N 476.493 0.761 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCNC(=O)OC(C)(C)C 1799260878 WZFNFQRRBNZDKZ-BMFAXAFESA-N 470.567 0.918 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1799321517 DBPAZELFRDRJMM-FSNPWBFUSA-N 481.594 0.028 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1799356823 ZCMMDRHKOCINDN-YYIAUSFCSA-N 450.536 0.546 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2)c1ccc(C#Cc2ccccc2)cc1 1799613558 JQVFOCGLSPLTMT-ACHVPNTGSA-N 456.506 0.976 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2)c1ccc(O)cc1 1801053452 GLDTYBZGYJZUAW-GWUZYQLFSA-N 473.526 0.543 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CNC(=O)C2)C3)N(C(=O)OC(C)(C)C)C1 1801103726 YGEFGEHBULUZEG-QLCXLMDBSA-N 462.547 0.278 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCn2ccnn2)c(C(F)(F)F)n1 1801393682 VENPBPQEHKKHST-FVCICTRLSA-N 463.420 0.857 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C)C1 1801558428 DNEDJUKEZKBKKZ-YRPNKDGESA-N 462.591 0.834 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1802126015 ACDYBGYVWJWJOQ-CYGHRXIMSA-N 498.540 0.555 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1802145954 CSDFZHIHAZXIMG-FCGDIQPGSA-N 472.542 0.943 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807947025 XPXLCCYEEBMXJI-QILLFSRXSA-N 466.502 0.100 30 20 JCED O=C(CNCP(=O)(O)O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1817235265 GDYSXPGDJPJKSQ-LKERYGQTSA-N 472.439 0.656 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822197408 PZVKRUASYWCKLX-FNXXIHLHSA-N 467.482 0.669 30 20 JCED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1825105105 KCASWABESDFDOY-GOEBONIOSA-N 476.603 0.372 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N[C@@H]1CCc3nc(NC(=O)C#CC(=O)O)sc3C1)C2 1825670438 CGVJEDIKZVJQMZ-QWHCGFSZSA-N 485.522 0.779 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCN2C(=O)OCc1ccccc1 1829212610 OGXQEVLQJOAIAQ-IXFSTUDKSA-N 457.458 0.885 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1829267493 QYWJHWTWTXFPHI-HSZRJFAPSA-N 471.583 0.556 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)cc1 1829630818 BVSAVZUCBHMKQR-SOONCWKUSA-N 466.538 0.782 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C)cn3)C2)C1 1829764297 JNWWAVNMVMIIEY-FFYIOULGSA-N 456.543 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1829771186 KZYMIZBXLISARV-UUMVVRSSSA-N 452.511 0.795 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829906120 UTABWSCQIMMZQL-QFIPXVFZSA-N 459.572 0.041 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830464764 SOIHWQANNWMPIA-QFIPXVFZSA-N 462.934 0.419 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(OC)OC)CCO2)NC(=O)OC(C)(C)C 1831043831 SRZQUDQCROUHTF-HXOBKFHXSA-N 485.578 0.921 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1831391493 CGHYVFMIPFVDMJ-WZONZLPQSA-N 453.499 0.376 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1831493089 QAHZXXWMCPTFRY-PGRDOPGGSA-N 489.635 0.939 30 20 JCED COc1cc(CC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc(OC)c1OC 1833631050 HMDDFEXYLNRRGL-UHFFFAOYSA-N 487.553 0.915 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(I)c(O)c3)C2)C1 1834767300 DLINYFHLBSSFDM-SFHVURJKSA-N 485.278 0.980 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1)c1ccccc1 1835636606 UNMHKGIFGDLLGA-BWKNWUBXSA-N 467.570 0.480 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835751392 QLZXWFUSGDRMQY-FQEVSTJZSA-N 461.607 0.704 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835753570 XPFNFOXBNVEYFQ-LJQANCHMSA-N 458.603 0.947 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445906 BTIHIYYBVQZLRJ-VVNADBLQSA-N 486.573 0.128 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490401 CKCXAAVEFAYEJS-CYFREDJKSA-N 471.558 0.432 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)C1=O 1837491466 NRWHWJXXGBXWTL-SANMLTNESA-N 495.532 0.590 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1837529859 FHDHKOQXIGIFTC-BFZGPVSBSA-N 495.573 0.905 30 20 JCED Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1Cl 1837531357 KIBFRRHOQKDFKN-WTSMWHHMSA-N 469.926 0.673 30 20 JCED N#CCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(=O)n5[nH]nnc5n4)CC3)CC2)cc1 1838023311 SVAZMBQRGJGQFV-UHFFFAOYSA-N 490.524 0.805 30 20 JCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1838126944 LVJROHFRWSHZHA-ZISMNVMJSA-N 450.492 0.836 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])CCO2)C1 1838542567 IMCKETNKCVZYOX-UZUQRXQVSA-N 474.514 0.769 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1Cl 1838598103 NLODSKVHIVLTKG-UWJYYQICSA-N 481.958 0.859 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1839130738 QTBJMEDPCRCFMQ-YADARESESA-N 497.589 0.149 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1839185079 MFFIOVTVLDVIKT-GGUMNFRJSA-N 494.589 0.581 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1839226463 PMXZLKNMXNYZCC-ISJRUSPKSA-N 464.563 0.645 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)cc1 1839361993 RREZSRUEAVOYPX-REWPJTCUSA-N 469.567 0.849 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1839364328 YPMPVKZMZPKNOU-HXUWFJFHSA-N 468.432 0.501 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)cc(C(F)(F)F)c1 1839442792 FZZBPTBOGFMACG-HXUWFJFHSA-N 478.431 0.939 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839667014 RTEZIYSDVYUZHL-RBRLBFKISA-N 486.573 0.128 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC13CN(C(=O)OC(C)(C)C)C3)CCO2 1840006957 ZSHRMSGDTSLPLM-HHJKRLRDSA-N 491.585 0.738 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840071898 MOEOEIAAMQBUCN-PNTFMKQHSA-N 491.585 0.617 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1840171271 YTGUHGRUFUCTSV-SBUREZEXSA-N 480.562 0.015 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c1 1840712251 BPTIJNAQEUTLQW-BVZFJXPGSA-N 480.521 0.699 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)[C@@H](O)C1 1840814825 IEXJUAPMCNYZSO-XFAGBWLFSA-N 492.573 0.364 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840906505 DBXDAFGKDUJGHE-UUOWRZLLSA-N 489.525 0.626 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1840907170 PZEOQLWLHBFAJX-GAJHUEQPSA-N 475.546 0.705 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840909166 NVTYUQPBDQTJON-HXOBKFHXSA-N 492.529 0.154 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1840912522 KOMJROHUFATZSL-GAZXMLTASA-N 489.573 0.960 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCN(C)C)C1 1842822233 GMXCBJUCSGVOII-QGZVFWFLSA-N 481.594 0.947 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCNC(C)=O)C2 1846366025 LKPXBSNSVCSGGL-KRWDZBQOSA-N 495.577 0.522 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 1848150966 LRCMGZMFLHGXQC-SNRMKQJTSA-N 489.536 0.576 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3)c2)c1=O 10851373 MHPXNDOQXNCRTF-UHFFFAOYSA-N 472.527 0.791 30 20 JCED COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(OC)c1OCC(N)=O 15759984 PISZNRPGHPBAFT-UHFFFAOYSA-N 488.522 0.586 30 20 JCED CCCN(C(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 31295858 SUBISGBPEQKVIR-PKOBYXMFSA-N 482.628 0.679 30 20 JCED CCN(CC)S(=O)(=O)c1cccc(NC(=O)CO/N=C(/N)C2=C(N)C3(CCCC3)N(C)C2=O)c1 109087753 YCCXMSGOHXVCTD-UHFFFAOYSA-N 492.602 0.942 30 20 JCED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccccc2O1 518138937 OIVXYIKXKCEKKT-LJQANCHMSA-N 490.476 0.995 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CC(N)=O 524281867 DNTANWFNWVKNNU-UHFFFAOYSA-N 476.942 0.237 30 20 JCED COc1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc2c1OCO2 726577083 HWFUHWSBOSDNAV-UHFFFAOYSA-N 496.526 0.369 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)nc1 729012681 SIUQPYLLORYFNM-UHFFFAOYSA-N 473.507 0.770 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCS(C)(=O)=O 729671492 PLMUPINZHHFAQC-UHFFFAOYSA-N 469.535 0.508 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 731233194 SJRXXRHEMDOWAR-UHFFFAOYSA-N 463.563 0.996 30 20 JCED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 749157372 MAGYUHBCCFOLEI-UHFFFAOYSA-N 477.564 0.630 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 749384537 HMXYEYZFGVVIOA-GOSISDBHSA-N 476.555 0.698 30 20 JCED CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 769210875 BMFAEOHTSRJTDQ-UHFFFAOYSA-N 480.524 0.269 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 819800019 XHLGIVUBJOBXLH-NRFANRHFSA-N 466.560 0.985 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 918423950 IYZQJPHQYTXCKS-ACNSNUFOSA-N 499.615 0.226 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 918817330 NYKCXDYNMKKNIB-UHFFFAOYSA-N 470.507 0.823 30 20 JCED CC(C)[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 919318222 GMVFMIWEAZQMJE-AEFFLSMTSA-N 456.542 0.344 30 20 JCED N#Cc1ccc(NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 919624554 PRWSPQZKMKKLCN-UHFFFAOYSA-N 467.507 0.918 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(=O)N(C)C)c1 1303867606 QYXKDTVEFATNGV-YOEHRIQHSA-N 461.548 0.367 30 20 JCED CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1359605041 PSINJBOXOJETAQ-UHFFFAOYSA-N 453.547 0.900 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C(C)=O)CC2)cc1OC 1504202722 IZBWCPDVZGNSDV-IBGZPJMESA-N 469.546 0.855 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)C1 1508220867 ZWTREMNAROXRLS-PMACEKPBSA-N 493.634 1.000 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1517621082 MOLSRLVFEWIVIL-HOCLYGCPSA-N 466.589 0.875 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1554303528 NVBMMACDAJCMLT-UHFFFAOYSA-N 452.562 0.379 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1615135268 NPUBUQGUNZGWEP-UHFFFAOYSA-N 482.589 0.854 30 20 JCED C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1692748688 UBNNMDWNNOTKGG-HXUWFJFHSA-N 480.617 0.995 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)c1 1697307228 KDNRWQGZHCGXFN-SFHVURJKSA-N 456.503 0.973 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1710484055 QMZFRFIFRDFSOF-MDZRGWNJSA-N 454.553 0.083 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1750193242 ODYIWQVGUZELKM-SJORKVTESA-N 494.599 0.501 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNS(=O)(=O)CC)CCOC1 1765913832 QZYKUHOVFWCAFB-PXNSSMCTSA-N 467.596 0.046 30 20 JCED N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCN2CCCS2(=O)=O)cc1 1770733179 SJHMVLSOVMLWIM-UHFFFAOYSA-N 457.560 0.944 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CC1 1778114558 MLIXSBMVWWALRY-QHCPKHFHSA-N 474.583 0.602 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1778738191 JBCJETUZMYYVNA-UTBIRPSLSA-N 493.557 0.206 30 20 JCED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C2)C1 1778807201 OTOVAUHBUAVXAM-SBUREZEXSA-N 480.610 0.939 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)cc(C(F)(F)F)c1 1779096522 KLGCBIRMKVWKJW-FPOVZHCZSA-N 482.459 0.671 30 20 JCED NC(=O)c1ncccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779420092 MOKRAYZNBFURSV-ONMZRLLTSA-N 473.530 0.837 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cn3c(nc2=O)SCC3)C1 1780542869 DLTUVTPVXJPKTP-PRCFCKQXSA-N 474.583 0.444 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1781047370 FBMZWZVIOJCBMH-JUJMCGFHSA-N 480.562 0.202 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1781165147 BUMWTQJVFVTAEA-HOYKHHGWSA-N 493.605 0.784 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1781341632 YLZNIWYKHLDLKW-JTSKRJEESA-N 461.519 0.606 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781424263 JGSVEFHQRLAECM-VGOFRKELSA-N 462.551 0.968 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)c3cccn5c(O)nnc35)CCO4)c2c1 1782195969 NXWIFARKJSAGPE-QHCPKHFHSA-N 472.465 0.940 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783176706 AYWLLLSSJMXYTC-MZNJEOGPSA-N 491.589 0.882 30 20 JCED CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783554825 FWFDNUWLSVOEJB-NTKDMRAZSA-N 471.510 0.999 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1)c1ccc(O)cc1 1784014976 UJGBBKJAJMIYGW-KDLAUNOPSA-N 468.510 0.317 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088706 QEVTWJJKCYRBHN-DPSWKAHMSA-N 495.573 0.998 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@H](COC)NC(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784093385 KWHTVIVJNROPCD-AXHZCLLHSA-N 494.589 0.533 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCS(C)(=O)=O)C3)C2)c(O)n1 1784742283 BEQPCRORHJAMPL-NRFANRHFSA-N 451.545 0.784 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785034126 QLCHIVZIEDISJL-ACRUOGEOSA-N 497.734 0.748 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)[C@@H]1CCc2nc(O)nc(O)c2C1 1785330921 MQDWMNCBAKHRCH-IGGJEDBVSA-N 498.580 0.671 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOCC4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1786726761 WDRGTQRDEDXPPK-TUFLPTIASA-N 492.617 0.864 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4CCOCC4)[C@H]3C2)c(C#N)c1 1786747338 UDWBSIIJAYGUHI-VJBMBRPKSA-N 470.570 0.811 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1788572399 FTIQWRMZCMCCAX-MGBSGCIJSA-N 466.560 0.005 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1788658813 OXPRKCHQCBMBJC-NTOLXHEASA-N 484.509 0.944 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789343078 ZRLQANLMCOKZNS-ONIAQPFYSA-N 461.519 0.365 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N(C)C(C)=O)C[C@@H]21 1792257773 MAZHAYZTIXDJFE-HTDHLNIYSA-N 478.590 0.750 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1792450281 GGWMDNRMGZZFPF-KMWNMMNJSA-N 450.536 0.498 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1792884198 BDPRSZMQTKQVIM-RCLSDMTESA-N 472.542 0.576 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCNC(=O)OC(C)(C)C 1793220229 WAPLBYYOYDCKFO-GNBUJSLZSA-N 467.563 0.546 30 20 JCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1793571147 UDBWZCSMJLZTDF-OKYOBFRVSA-N 476.574 0.742 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc[n+]([O-])c1)C2 1793593987 ZEGKSJQFWOKMDJ-FCGDIQPGSA-N 460.531 0.993 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O)c1ccccc1 1795520857 LFOQJWLGJNOZMS-RCLSDMTESA-N 463.471 0.498 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)(C)C 1795570353 VLLZQPXUSLNKAJ-ZMMAXQRCSA-N 450.580 0.881 30 20 JCED Cn1c(=O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)nc2ccccc21 1796996601 JEWZYZPMDXHWKV-IEBVLFKKSA-N 463.494 0.849 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1797708437 YQRDCDRUCPDZQB-NZGUISNBSA-N 498.584 0.342 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1797815624 SEYTUTJXJFGHFX-FTLRFMLOSA-N 491.570 0.010 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC=O 1799288186 SJJXVXCXUKTMMT-ZSXDVEMLSA-N 464.563 0.407 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1800745701 KKUVNHZPPUGBKW-MOBXUJDGSA-N 495.532 0.713 30 20 JCED COc1cc(F)c(Br)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779506 MRWGJWNAURHKTE-XGISUXEOSA-N 469.263 0.888 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NCCC)C2 1802124579 FCMPXQCVSCMMBU-BMQTXXJKSA-N 478.590 0.799 30 20 JCED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807023703 IZYUBQIHJNXXJS-YLJYHZDGSA-N 454.464 0.795 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)c(C#N)c1 1810352714 YUFGJFXUPUAIQK-ZOSUSCCZSA-N 493.564 0.861 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1811406024 BTJBENQPCBVCBY-LDQXTDLNSA-N 476.493 0.880 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]3c3cccnc3)c2c1 1812069587 FWFADJUHSPFMKT-SGXKBVARSA-N 474.525 0.742 30 20 JCED CN1CCCn2nc(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)cc2C1 1812288349 XERWVULDODBOCC-VGSWGCGISA-N 450.499 0.521 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815669734 PVHRAEDGXVBXBM-RDJZCZTQSA-N 453.565 0.723 30 20 JCED COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H]4C[C@H](O)CN4)sc3C2)c(C#N)c1 1822616451 RKQDJVONBFMJNN-VKJFTORMSA-N 455.540 0.901 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1 1825664534 IBPPBRAVWDXEGU-ZDUSSCGKSA-N 461.521 0.925 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCN2C(=O)OCc1ccccc1 1828914738 GJHLQHCBLQOVFF-WZONZLPQSA-N 453.499 0.631 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)COCCO)CCN2C(=O)OCc2ccccc2)C1 1829223547 QNRYMJMNSMQABG-NLFFAJNJSA-N 487.553 0.486 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1829355929 DOYGXIPFDMORLO-RDGATRHJSA-N 486.569 0.665 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2 1829630774 AVDSTQMMWLRIHC-QHCPKHFHSA-N 473.599 0.431 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)CC2=O)c1 1829636202 FNDSLFOLWBRJTL-IQGLISFBSA-N 482.537 0.808 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)COC4)C2)C1 1829766334 RUFATEOEFSGTST-XLQQFJOYSA-N 455.511 0.645 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)ccc3C)C2)C1 1829771884 ZBZDCTLESXMSSG-WEHRJKGCSA-N 457.527 0.932 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830761730 WJXMPXSQLSZOTB-FHAGJXEFSA-N 492.617 0.844 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1831492323 JXECVNAYCWLLNZ-PGOAABDTSA-N 465.572 0.863 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1 1831998806 TZDKLVNDNDICMG-HXOBKFHXSA-N 477.562 0.960 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1832000429 OXJGHQJUHASOEX-TXBYWVTISA-N 482.578 0.437 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1832009824 VTSKWGIWQOSXFX-OJCDQFDKSA-N 495.573 0.951 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CNC(=O)c2cccnc2)CCO3)c1 1832724451 SNMFIKBWWYDCFV-SANMLTNESA-N 491.548 0.772 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cn1 1833429912 IPGODDLDCAAMHV-XMMPIXPASA-N 450.495 0.997 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833556660 MSXFWZBQWJZGPO-CMOVFPCMSA-N 456.883 0.927 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833599709 RBHZQGAPISYHQU-IERDGZPVSA-N 482.559 0.356 30 20 JCED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834857531 OXHSUBUNOQNOBT-QFIPXVFZSA-N 455.471 0.458 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)c(O)n1 1835250924 FQBWWNUCSDZLCJ-NRFANRHFSA-N 467.544 0.020 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2)c1ccc(O)cc1 1835262191 YCNYAXCVDRGQKU-AUSIDOKSSA-N 478.567 0.390 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(C)(C)O)CCO2)C1 1835271492 JMQCUJNVLSYGRO-SBUREZEXSA-N 467.563 0.520 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835358604 HAUJJYOZZLPYPU-IERDGZPVSA-N 454.524 0.022 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)CCO2 1835536844 RJPNESSDLWTYCO-HXOBKFHXSA-N 496.609 0.175 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1)c1ccccc1 1835560591 MOGXIPDDNQRBMB-CZSZKKDXSA-N 470.570 0.233 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835731986 ZOQPRZWSNUMWFM-OVVQPSECSA-N 498.632 0.674 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)o1 1836027000 UPEWJWBPNHOYEW-QFIPXVFZSA-N 465.470 0.439 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)c1 1836258678 LJFZIZAEEUTCHC-UHFFFAOYSA-N 452.515 0.295 30 20 JCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 1836337750 KCDNTTBYURWFKZ-UHFFFAOYSA-N 499.637 0.826 30 20 JCED COc1ccc2c(c1)CC[C@@H](CC(=O)N1CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C1)C2 1836634426 GLNKJVFLQOPQKH-IQGLISFBSA-N 470.522 0.735 30 20 JCED CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(C)C 1837220881 FNHRSJGHMQVIJL-URXFXBBRSA-N 464.559 0.729 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1837391741 VJDHZZPBJCKVQA-GSVYRSTFSA-N 485.581 0.889 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1837431360 JYZXTPIECBBEKZ-QHCPKHFHSA-N 474.634 0.751 30 20 JCED CN(C)c1cncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837441190 WJFYHFKUFRRATQ-JKJLQIMHSA-N 458.563 0.689 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837481265 FGZZMGVUGMRTDY-PYRKTDDNSA-N 456.503 0.446 30 20 JCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528444 KLAFXRFDXAVTPH-VUVXVLRYSA-N 486.529 0.637 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837532922 ICLOWXUKZCIITL-VTGGFKIQSA-N 476.530 0.834 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nc1 1837561465 MXIMDWJXGVQLKS-JBMWNJKUSA-N 490.538 0.267 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)cc1 1837791586 SPBLZRVANCRRCK-QFIPXVFZSA-N 468.470 0.892 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1837950696 UYMCYINOBHZOID-QHCPKHFHSA-N 481.465 0.195 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838405124 CPMZMSDYXKRQTM-AYZKLBOQSA-N 452.552 0.237 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn(C)nc4OC)C3)C2)c1 1838580963 XFMXNPNECKCQDC-HSZRJFAPSA-N 469.498 0.693 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838604056 HJQDXHQQJKSVED-VGOFRKELSA-N 491.570 0.703 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccc(Cl)c1OC)CCO2 1838724776 UIMIOVHAKHRBIV-QATSOJGNSA-N 478.933 0.672 30 20 JCED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)c2n1 1838737467 UFZSTCNLHCDFTG-QHCPKHFHSA-N 463.498 0.930 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc(O)n5c4CCCC5)C3)C2)c1 1838738169 UMHYNWROSWPBIE-QFIPXVFZSA-N 454.487 0.509 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)[C@@H]1SC(=N)NC1=O 1838950983 RANBXXMKJQFPBP-JKXTWKSPSA-N 471.539 0.431 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1839175843 IAPITUZXKGIDFG-QHCPKHFHSA-N 483.562 0.867 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)cc1 1839363966 FSAIEOMKGJILMP-OAQYLSRUSA-N 456.528 0.733 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839364122 NGSWOBTTYMBZKB-XZOQPEGZSA-N 459.499 0.438 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1839388577 WFJXZGSBUMVXFR-UGSOOPFHSA-N 467.441 0.404 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCO2)C1)n1cnnn1 1839443578 PKADDWSEDQIMCP-VLIAUNLRSA-N 493.446 0.895 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1839452721 SJPSYUQKXRYXCM-JOCHJYFZSA-N 453.503 0.270 30 20 JCED Cc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488369 NTEDRDHMXFEUDQ-QHCPKHFHSA-N 461.482 0.917 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)OCc3ccccc3)CCO2)C1 1840019658 VNNNTHRLZGWWCH-FHAGJXEFSA-N 487.553 0.796 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Br)ncc3F)C2)C1 1840042642 GJGVODBASQSZIR-SFHVURJKSA-N 470.251 0.141 30 20 JCED COc1ccc2c(c1)CC[C@H](CC(=O)N1CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1840042677 HUZQEASUNIOPOD-AVRWGWEMSA-N 470.522 0.735 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840289942 QYPOTLLWVPRZGG-QZTZHPFYSA-N 495.573 0.960 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840836042 VOFFTNMMVUZGJJ-MWUGDXRPSA-N 481.546 0.943 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1840843514 SJFAJWWFCRIOOB-GLYQVZKVSA-N 477.558 0.635 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1840907041 OAEUDJWGTLOEJZ-ZHRRBRCNSA-N 461.519 0.396 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840908599 COFQMEYRSJBZLJ-IVZQSRNASA-N 477.518 0.102 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1840914050 WBBRBYDAJIQWPP-UZFJHSOTSA-N 496.561 0.268 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840946051 UEBYFEQPDHYPOP-AUUYWEPGSA-N 461.556 0.720 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)C1 1841224422 WFEDVXRMRGPWRM-XLIONFOSSA-N 457.527 0.879 30 20 JCED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1841317985 GSXCQSASSAYOFV-UHFFFAOYSA-N 454.531 0.406 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c1 1842189398 ZXSBDMLYYICEHT-FNLSEGDXSA-N 450.517 0.831 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845810084 CJFSDMGBHKVHBI-MRXNPFEDSA-N 478.546 0.430 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@H](C)S)C1)C(C)C 1846370057 SAWOQONWWZXVKS-JYJNAYRXSA-N 454.593 0.880 30 20 JCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)COc3ccc(C#N)cc3)C2=O)cc1 9801196 VZKNHCLRSMIVJP-QFIPXVFZSA-N 452.423 0.987 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OCC)c2)c1=O 603987542 PAANTDQZIUGBOM-UHFFFAOYSA-N 470.595 0.670 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC1 604218812 LPPFIVJOVKUQTL-UHFFFAOYSA-N 452.471 0.965 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(-c2ccc(C(N)=O)cc2)c1=O 608828560 BMIFAXYBAOVGCN-UHFFFAOYSA-N 462.535 0.293 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1cnn(CC)c1 726180427 JNTQCCNXXSBXCV-UHFFFAOYSA-N 472.596 0.926 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 728534942 YEWHLJOGKQBIMP-UHFFFAOYSA-N 452.602 0.359 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCS(C)(=O)=O 729674817 NVKMHVKAZYYXOW-UHFFFAOYSA-N 498.026 0.654 30 20 JCED CC(=O)N1CCN(C(=O)CCNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 730783060 DJNZTZKDMWJJEF-SFHVURJKSA-N 477.587 0.337 30 20 JCED CCN1CCN(C(=O)CC2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 731200376 AYAFSPSWJPVMHF-UHFFFAOYSA-N 475.615 0.908 30 20 JCED N#Cc1ccc(OCC(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 789830282 MFXXVCOEFBEDDS-NRFANRHFSA-N 465.462 0.991 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 821728497 XMXSUBFXPOFSAV-UHFFFAOYSA-N 460.487 0.756 30 20 JCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c1=O 838255227 HZXMHXGDOSWPQP-AWEZNQCLSA-N 457.552 0.916 30 20 JCED COc1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)ccc1OCC(N)=O 915381954 FDGCJAXRLTVRMS-UHFFFAOYSA-N 457.443 0.233 30 20 JCED Cc1ncc(CO)c(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1O 916271214 IAKIPGDXIBWCLL-UHFFFAOYSA-N 451.461 0.963 30 20 JCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1OC 916925161 YTIFXLFNVWFDRI-INIZCTEOSA-N 491.522 0.999 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 917385383 QHASMUWBZPYPLN-UHFFFAOYSA-N 472.548 0.505 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnc(C)s2)c1=O 917786118 BATCGXHTODRWCF-UHFFFAOYSA-N 493.680 0.379 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 920399558 SJDHRQRBSOEVPN-UHFFFAOYSA-N 489.460 0.220 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1301017325 IGXLPIBBTCXOPT-KGLIPLIRSA-N 460.004 0.430 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)c(C)n3)CC2)cc1 1317826028 DBQMSYDYWPWJCP-UHFFFAOYSA-N 458.496 0.960 30 20 JCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1=O 1517418548 QOBIXCSDBDUPLI-UHFFFAOYSA-N 458.544 0.832 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)N(C)C1CCCCC1 1541942928 MPLNVQCWNONSSG-VQIMIIECSA-N 492.650 0.856 30 20 JCED CC1(C)CCCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1692857712 KLOOQRALBKMJNZ-ZWKOTPCHSA-N 481.623 0.462 30 20 JCED CN(C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1711011217 UUPKQUUYVAOTPW-DNVCBOLYSA-N 457.576 0.641 30 20 JCED Cn1ccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)n1 1711259602 MNNNJJVBKVCNCM-UHFFFAOYSA-N 470.559 0.787 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2)C1 1750211718 RVHIXUAUCRGOSV-ZWKOTPCHSA-N 467.596 0.216 30 20 JCED CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1=O 1750835529 ZCAOAZDTQFFTOC-UHFFFAOYSA-N 451.531 0.980 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NNC(=O)C2)C3)c(C(F)(F)F)n1 1777757263 AYLBVMSLKLLPQU-FOIQADDNSA-N 478.431 0.975 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1778087350 KVARSJZGBPPDMM-WVMBUTMQSA-N 487.557 0.948 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779041463 DPTPDSINXJHHQM-KSFYIVLOSA-N 481.619 0.217 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1779107563 TWPNZUTUYSDXHY-SYGXVLRESA-N 471.558 0.742 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1779354761 NXTFIJYDCWMQRH-QEVIJRNUSA-N 450.442 0.545 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781247394 IQHKGRYJYWGYPR-PNCHPQGNSA-N 464.563 0.648 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781561034 VNXIVEAJFDEQHJ-RADWXHQJSA-N 462.503 0.862 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)ccc1Br 1781906008 FXTYABZEAVXTMB-MGPUTAFESA-N 461.316 0.900 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)c1 1782056690 IGPLBJIPXWCEGF-QFIPXVFZSA-N 469.523 0.776 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(CC(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)C2)C1 1783470424 MKISSQOXUKXTBZ-DEOSSOPVSA-N 475.542 0.942 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783611627 FPKQEVLGKLNIEV-ZHSNQQFMSA-N 467.563 0.778 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783677358 PWUBXTNKTCHNJI-JCHKBEJOSA-N 493.605 0.707 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)n4[nH]nnc4n2)CCO3)c1 1785080168 SLHYDHNSOMQCIP-FPTDNZKUSA-N 462.470 0.197 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)[C@H]2C1 1788077972 NESCIKHFDONOLM-FPXQBCRKSA-N 480.525 0.755 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)[C@H](O)C1 1792451852 REWWCGFGMUQXMF-RZFLPCETSA-N 462.547 0.498 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1792529568 TYQBOQKHQPYHIG-WPAAJDMKSA-N 469.604 0.778 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792631944 KGVWHVIWSPJFFD-AJFQYHAUSA-N 479.578 0.317 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1793385607 WLPZRTMZKIIXOA-BQJWPVKWSA-N 459.609 0.806 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C3)c(O)n1 1794491073 RCBRORIJADCKTH-HRQSHJORSA-N 489.525 0.604 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@H](NC)C(=O)O)N(C(=O)OC(C)(C)C)C1 1795644720 RDYNKHJHBPJZCE-OYNZLANYSA-N 480.562 0.204 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)CC2)CC1 1797281057 WEZSVCGTFQSGAV-VTYHHJSWSA-N 471.602 0.603 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)C=C 1797949680 XKQBZEOJKYURIO-LVEJAMMSSA-N 462.547 0.183 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cccn(C(F)F)c1=O 1797992630 PRKMHGFIYVSXTF-PLTAZGFWSA-N 468.457 0.976 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1(O)CCCCC1)C2 1798550228 NBQWMBBDRANTNG-OKYOBFRVSA-N 453.543 0.932 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1799232718 YHKYYRXEPWFAIZ-BFMVXSJESA-N 476.574 0.409 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1799303860 HVYDMYDPEOHSLH-FEJSZKPUSA-N 499.568 0.121 30 20 JCED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)c1 1799421671 FVPDAINEVVXXQR-ULQWZQFMSA-N 470.555 0.318 30 20 JCED CS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(C(F)(F)F)c1 1799784899 VOARPYBNZAPOAR-XOIINTDNSA-N 459.446 0.825 30 20 JCED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883177 SFRMZQKTLAUEQJ-HBCWATKFSA-N 457.512 0.544 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1 1800800123 SIPRDNSUNAOXGQ-SFNKJDCFSA-N 465.547 0.999 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2)C(C)(C)S 1800906473 QGWLMUUCKITUMT-AIEDFZFUSA-N 486.591 0.286 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2)c1ccc(O)cc1 1801056731 RPQHTEUEZKYDAI-DBHNTLKXSA-N 466.494 0.994 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1808449066 CBXPUZATFYSHAV-OXQOHEQNSA-N 455.519 0.930 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812876829 YOZCMAFTUYMPIO-SQGPQFPESA-N 473.530 0.418 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1814972161 FEGYUOMKFGCCHB-AWEZNQCLSA-N 482.632 0.067 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)NC(=O)c3cnccn3)sc2C1 1820021648 UJCXXXUUEZVSTR-KFBXHMBNSA-N 483.554 0.522 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)CN3C(=O)CNC3=O)CC4)c2c1 1823888501 JAPNCXHECOWWNS-LLVKDONJSA-N 478.494 0.669 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N[C@@H]1CCc3nc(NC(=O)C#CC(=O)O)sc3C1)C2 1825670434 CGVJEDIKZVJQMZ-CHWSQXEVSA-N 485.522 0.779 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cc(O)ccc4n3)C2)C1 1829766086 KUUNWEFEPDNRIL-UTBBOMKLSA-N 480.521 0.869 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cnccc4nc3C)C2)C1 1829770314 IWIJZTKDSSLJNT-NZHPTEEQSA-N 479.537 0.867 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1829771007 ALZKPNMPTUKMLV-LXHZQTKUSA-N 465.453 0.599 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829830638 KEUBLMPUPAAKAF-GMAHTHKFSA-N 455.467 0.720 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](CC)NC(C)=O)CCO3)c(O)n1 1829851834 XGOCVBQGECSGSX-GBXCKJPGSA-N 474.558 0.891 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064274 IARNTCJVCVAFAD-PKKBDPGCSA-N 494.589 0.753 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(Cc4ccccn4)CC3)C2)C1 1831386443 GOIGEBHHJVPXLN-RLWLMLJZSA-N 484.597 0.788 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)C2)C1 1831402686 OYGHUGREOMHNCB-HOYKHHGWSA-N 479.574 0.738 30 20 JCED Cc1ncc(Br)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833396553 IBNHRPZMEZDWNL-LJQANCHMSA-N 466.288 0.311 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)c(O)n1 1833699849 FZWWGRPBYLPRJR-DEOSSOPVSA-N 497.508 0.778 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)CCO2 1833726066 WHVUZIQNAIYNFQ-HSZRJFAPSA-N 457.531 0.054 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)cc1 1833761700 FVKWGWKRQNCLLA-HXUWFJFHSA-N 466.542 0.270 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncnn2C)CCO3)cc1C#N 1833848215 XSKCYAKVZNOYNH-QHCPKHFHSA-N 468.514 0.858 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797393 UHMHMYMCKNKADI-SFHVURJKSA-N 471.562 0.176 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349329 CUOOTMLQIUZVRQ-WAIKUNEKSA-N 494.545 0.203 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C[C@@](C)(O)CC(=O)O)CC2)CC1 1835717707 GVCOWMLWJDEHCK-WZONZLPQSA-N 453.580 0.747 30 20 JCED COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1NC(C)=O 1836132729 SASIUUPIFRCNPN-UHFFFAOYSA-N 470.526 0.927 30 20 JCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1)N1CCN(C)CC1 1836372241 NVTALHLJYBXOPS-FQEVSTJZSA-N 475.682 0.476 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2)c1ccc(O)cc1 1836676326 IBJZCBNUNADFEW-HOFKKMOUSA-N 498.624 0.593 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1836776498 JZWIUGYSJFWJRQ-QHCPKHFHSA-N 475.546 0.069 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837444015 WLNBBEZZKLDEHC-FDCKDHBTSA-N 455.519 0.271 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1837564203 CJCLROCIAZANHZ-PBRWIGKDSA-N 482.493 0.890 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837658912 FFSRBVOIZRUQKO-JPYJTQIMSA-N 477.562 0.544 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1838358238 ROUYYPNXPGPRLB-RXULLKCLSA-N 464.519 0.762 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598621 SJVUGDJWKLHGME-XMSQKQJNSA-N 478.933 0.433 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838741938 JITILISABHCAKX-PNCHPQGNSA-N 456.499 0.712 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839036670 LIQPNPIUJUQLOX-UPCLLVRISA-N 483.500 0.914 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C(C)(C)C 1839057839 SAVXQNQIJOVCMI-XDHUDOTRSA-N 495.573 0.860 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839163718 PTQMNYNFFGDQAD-AXHZCLLHSA-N 494.589 0.274 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)c1ccc(O)cc1)CCO2 1839167536 XDFXTNOYCARHKW-SULQKFSGSA-N 457.527 0.811 30 20 JCED Cn1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n1 1839186243 IHJYDRMULRYGDR-HSZRJFAPSA-N 455.490 0.672 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)cc1 1839362060 VYDMQSMTYOUTPE-JOCHJYFZSA-N 453.455 0.338 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(CC)c3I)C2)C1 1839807659 IZKKDBNCTXFADD-KRWDZBQOSA-N 472.283 0.280 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)C1 1839841056 LSWBAKPMQQCHFC-KBMIEXCESA-N 498.584 0.848 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839880733 ZMVQXDGLXAQBSJ-FPTDNZKUSA-N 454.487 0.029 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)OC(C)(C)C)CCO2 1839986401 OESHZWRLXKOMMI-QFIPXVFZSA-N 455.552 0.950 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840026468 KYNGPZMLUJYBCC-JLHGSKIFSA-N 455.552 0.683 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1840161156 GGUOLHNSNVCIOH-LEDOBFOHSA-N 463.600 0.662 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1840204639 MAJIHYCHXXTLGO-FQEVSTJZSA-N 484.431 0.315 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)OC)CCO2)C1 1840213149 GMAMTEQERIWNTM-GSHUGGBRSA-N 455.552 0.947 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1)c1ccc(O)cc1 1840220213 CIRBTJBJEMPVLO-ISJBWFOZSA-N 483.565 0.872 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1840547893 AHTRJDJMCNOTIE-QFIPXVFZSA-N 463.556 0.382 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1840819665 YPJYQDRXVXIRRU-DEOSSOPVSA-N 476.493 0.750 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1840820918 QBLKLHKGOCTYBH-WXVUKLJWSA-N 457.527 0.945 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(CC)COC3)C2)C1 1840908851 ISNSOAZCDSUYEL-MHECFPHRSA-N 479.574 0.786 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841892117 VXNUPPDKPXGRFA-OAHLLOKOSA-N 463.535 0.601 30 20 JCED CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)(n2ccnc2)CC1 1845817031 IBCWFIOTPLLRFB-UHFFFAOYSA-N 485.541 0.901 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3ncccn3)CC2)CC1 21578967 KTHRDEVLCNSXOF-UHFFFAOYSA-N 455.544 0.003 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](C(=O)OC)c3ccc(Cl)cc3)CC2)C1=O 499028542 XZULKUMMNMJUFM-QGZVFWFLSA-N 462.890 0.675 30 20 JCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)c1 515959525 ZYXRVRKMKBYZFJ-UHFFFAOYSA-N 462.509 0.878 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)C1=O 522250328 TYSKASNQZQZTHJ-UHFFFAOYSA-N 480.499 0.022 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1cnn(CC)c1 523183117 RRVBJNVARLKHMF-UHFFFAOYSA-N 458.569 0.618 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 523256959 BZHKYBQYAXLPLS-UHFFFAOYSA-N 497.602 0.276 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)cc1F 589160376 RUMWWRYMWWIMLB-UHFFFAOYSA-N 481.571 0.725 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2OC(F)F)c1=O 603796614 LQIYCFXOLRWVAR-UHFFFAOYSA-N 492.548 0.873 30 20 JCED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cn1 729673261 VXRJVLLNXZHXAP-UHFFFAOYSA-N 477.612 0.031 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 749505568 WFBLOEYIBAGMGJ-UHFFFAOYSA-N 461.478 0.119 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1=O 901381986 XOGXFEYIOVZDPP-UHFFFAOYSA-N 471.489 0.234 30 20 JCED CC(=NNC(=S)NCCN1CCOCC1)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1 915925566 HQSPERNKHNQJKF-LJQANCHMSA-N 497.643 0.835 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1CCOC 916200839 RNWXPPBZNGDIAD-UHFFFAOYSA-N 465.478 0.971 30 20 JCED Cn1cc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(C)c1=O 916949175 KNPYVNKIOOBUSB-ZBTAVZRMSA-N 499.549 0.619 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)c1 918279286 RLKZMGNRDNXWHX-PLRJNAJWSA-N 493.586 0.583 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)N3CCC[C@H](NC(C)=O)C3)nnc12 918817932 KNKXELVYXADCQB-INIZCTEOSA-N 498.565 0.993 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C[C@@H]2C=CS(=O)(=O)C2)CC1 919019642 BLMYSXONPOUEBU-AWEZNQCLSA-N 460.468 0.946 30 20 JCED C=CCn1c(-c2ccncc2)nn(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1=S 921044447 BEIUYZKTBOEZBM-QGZVFWFLSA-N 498.656 0.754 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCN2CCCCC2)C1 1316354537 QTJHCKLIZYLZAY-SFHVURJKSA-N 451.597 0.837 30 20 JCED CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1545535580 KPUXPCBAJPWPHR-IERDGZPVSA-N 459.576 0.934 30 20 JCED Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)c(Cl)c1 1586780737 OHTXVYSAEYKYOQ-CQSZACIVSA-N 459.890 0.921 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C(C)=O)CC2)c(OC)c1 1697381746 YEEIXDLSCBFAHE-LJQANCHMSA-N 469.546 0.855 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(N(C)C)CCOCC1 1741942036 ZWTHKFJURXTTQC-WMZOPIPTSA-N 480.639 0.176 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCC(F)F 1750968025 KVYBDBGVJWRRCA-UHFFFAOYSA-N 474.516 0.991 30 20 JCED C[C@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 1751245785 IZFLDKZOOYRSBY-CCKFTAQKSA-N 468.511 0.554 30 20 JCED Cn1c(=O)c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)nc2ccccc21 1779018613 CAAUQSFXAVETID-SFFGGSCWSA-N 466.542 0.849 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2 1779396425 DNUBILWCWRSVER-AUSIDOKSSA-N 457.527 0.912 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c1 1780175553 PPUWZARIIILOMI-XMMPIXPASA-N 474.477 0.727 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1781161657 RJUTXUIUODKQJI-MBSDFSHPSA-N 499.630 0.948 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1781379495 DLXOYZZFOGWXRS-IFMALSPDSA-N 476.636 0.857 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2 1782107859 NEUUEARNGFABRP-DRSNIGMVSA-N 477.566 0.656 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)c5n[nH]c6ccc(C#N)cc56)C4)C3)CC2)CC1 1782199408 MJWKGKAWIHPHIN-XMMPIXPASA-N 477.569 0.658 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1783448216 HVVTWGDTMFTXBI-ZOCXUTPHSA-N 488.585 0.932 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(C)C(=O)CC4)[C@H]3C2)c1 1784978428 UCIHQSAKXSJMIP-QSFXBCCZSA-N 453.499 0.768 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1785380048 BGNDSPZTWCVHDL-NRFANRHFSA-N 474.564 0.627 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785609171 RECJCJSBQLISDV-XOBRGWDASA-N 474.505 0.796 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]32)c(O)n1 1785773956 CBUOZPWNZJMCAX-FNHZYXHNSA-N 453.499 0.896 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)c(O)n1 1785774008 IRKVRFIVYKNAOZ-QZHFEQFPSA-N 459.547 0.092 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1)c1ccccc1 1787269546 IJHWAKBHDUEWMU-IWFBPKFRSA-N 489.536 0.603 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)[C@H]2C1 1788095554 QJLROOCUCCDKSW-KNJMJIDISA-N 463.575 0.997 30 20 JCED COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)cn1 1788601574 NEDBCXWSYHYOBI-SDEHEAPBSA-N 457.531 0.933 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C[C@@H]21 1789892480 VURWSKZCRRTTSS-IHPCNDPISA-N 493.582 0.729 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)[C@H]2C1 1789911748 DEZYLEOPSVOUAC-DQKQSUEQSA-N 457.593 0.968 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccccc4C#N)[C@H]3C2)c(=O)nc1O 1792148687 VBWXZVBHKZAOLB-BJLQDIEVSA-N 481.509 0.188 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C)n3)C[C@@H]21 1792261581 KJZQNCBZWAZUAF-DWRORGKVSA-N 459.547 0.930 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1793359107 NZYRIEXLMDENSP-LVEJAMMSSA-N 455.552 0.443 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ncn1)C(C)(C)S 1793495121 XKEZBQDGBMMPBX-DLTLXFJOSA-N 495.602 0.987 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOCCOC)C2 1793823430 NOJFJDWEVACMRO-HATOLVCRSA-N 474.620 0.582 30 20 JCED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/C(=O)c2cccs2)CC1 1796446468 VCMFAZGREUEOQZ-WZEMGFAMSA-N 474.583 0.241 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOC2=O)C3)c(C#N)c1 1799239750 KUVYLEAJMVPLHJ-OPMZPASUSA-N 456.499 0.541 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799746796 NXDNXXARKXOUJI-JSJNYSNDSA-N 461.446 0.395 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc5cccnn5n3)C4)c2c1 1799884491 WIPAFGONAXSRRW-YVWYUNDQSA-N 456.466 0.994 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC 1801206413 YOSWXUMUKUWROT-DJSSIZSOSA-N 466.535 0.401 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804095173 ZUIKBAZEDUHSEE-OXJNMPFZSA-N 457.487 0.149 30 20 JCED CN1CCC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1828499805 NKWWTIZRISNSAO-SANMLTNESA-N 496.564 0.868 30 20 JCED Cc1n[nH]cc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829178377 BKNPNQJRMGVJFN-DEOSSOPVSA-N 479.493 0.872 30 20 JCED COCCCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330568 KZTBDGGKESQMPR-XMMPIXPASA-N 471.510 0.953 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1829332532 QERSLADSGVMQBB-YDIMBITNSA-N 469.494 0.297 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1829344982 FPMFASKVGVBFIB-CEXJFXJFSA-N 491.614 0.350 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)N(CC)CC)C2)C1 1829762781 RDQRBYWILIUHKE-XYTVPYNESA-N 450.580 0.422 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1829771071 DBTKHKVQHPGEHT-WNWNSBFKSA-N 468.510 0.110 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1829782484 WNFHKMWPIFQRRC-QFIPXVFZSA-N 458.519 0.480 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c2ccccc21 1830056514 CXOFOYVNOWAWNY-QHCPKHFHSA-N 455.515 0.346 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1830906722 DUNAWIRGLMOCRV-LHXJMTLCSA-N 475.502 0.939 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)C1 1831402212 QMRGBGPURIENLI-RXFWQSSRSA-N 499.564 0.750 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CN4C(=O)COc5ccc(Cl)cc54)CCO3)C2)CC1 1832354349 TXRZIBQHMLAMFA-QHCPKHFHSA-N 488.928 0.826 30 20 JCED CC(C)c1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)no1 1832786870 DJPJXAGZVXJGHW-QFIPXVFZSA-N 462.551 0.474 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnccc1C)CCO2 1833008048 OIUUCDVZNVJKTR-RULWIFSWSA-N 456.543 0.637 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833024661 WDNXXNUCVJVUJV-LNPFQXMTSA-N 476.530 0.040 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833095572 AWNCXSWYPIWPST-YADARESESA-N 489.573 0.565 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)c(=O)[nH]c1C 1833390152 PPLRQJGAQILMBN-HSZRJFAPSA-N 469.473 0.781 30 20 JCED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(Br)c(C#N)c4)C3)C2)n1 1833883182 OLYMDIWQALZGAS-HXUWFJFHSA-N 489.330 0.833 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1835750184 JVLWKJHUCLNHPD-UHFFFAOYSA-N 496.612 0.510 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837136455 NANHXLOLJSMHGD-DEOSSOPVSA-N 483.525 0.173 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(=O)Nc2cccnc2)CCO3)ccc1F 1837630266 NILHGUKYERPGQX-XMMPIXPASA-N 481.484 0.730 30 20 JCED N#CCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)cc1 1837883215 WPSUWGMGFXEVGC-NRFANRHFSA-N 455.559 0.958 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2 1838469060 ZZFVFGYRAFHXJP-OAQYLSRUSA-N 461.544 0.320 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838508807 CJBAQSXHWYKXDF-XOBRGWDASA-N 462.532 0.957 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1838604888 YNBUKGSCFMXWFY-OAQYLSRUSA-N 456.459 0.052 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)cc1 1839044807 ZEDIHTPLGJYQLU-XMMPIXPASA-N 495.561 0.533 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839080997 RYTRWMPTVJNKDM-SKPFHBQLSA-N 463.575 0.827 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1839204013 DNUDCGKWLHGCHV-LLJLJFOGSA-N 499.605 0.292 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO3)C2)C1 1839209978 ZVLRJQSICFQSMY-MBSDFSHPSA-N 467.563 0.685 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)cc1 1839362026 UMNYDKNCVSMHHV-NRFANRHFSA-N 454.443 0.768 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1839452722 SJPSYUQKXRYXCM-QFIPXVFZSA-N 453.503 0.270 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2ccncc2=O)CCO3)cc1 1839662198 YSAJBHUDCACFNK-XMMPIXPASA-N 465.510 0.204 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)O[C@H]2C1 1840016266 SWONLGBLAGJMBM-FLFXDLLNSA-N 492.573 0.771 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840292706 FVNLZOBZSPILFZ-OSPHWJPCSA-N 472.542 0.643 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)cc1C#N 1840480811 SRLMZRLYIFELMM-SBUREZEXSA-N 483.529 0.663 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Br)c(F)cc1F)CCO2 1840776106 WQZCQTABQNZPGB-LJQANCHMSA-N 487.253 0.885 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1840844035 AGTONEVANAWZSK-RSEQLOHWSA-N 455.555 0.492 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1840844568 CIUITJNQCCSIBQ-GAJHUEQPSA-N 463.531 0.782 30 20 JCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 24051331 CBSCUVIISRIVBD-UHFFFAOYSA-N 469.566 0.657 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 501764296 UYWKNWRHLYFLOF-UHFFFAOYSA-N 499.545 0.011 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 515942379 COGHZHAPISORMB-NRFANRHFSA-N 490.520 0.255 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccc4c(c3)CCO4)c2=O)cn1 523861773 IPARVOGWJNPVKY-OAHLLOKOSA-N 479.562 0.704 30 20 JCED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 608912482 OJDDIDGWFJSAJG-UHFFFAOYSA-N 476.624 0.351 30 20 JCED CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 726290646 ZNLBMZNQQNXJBZ-UHFFFAOYSA-N 457.512 0.664 30 20 JCED C=CCn1c(S)nc2cc(C(=O)NCCS(=O)(=O)N3CCSCC3)ccc2c1=O 730550752 HAQUGBQFVFCTON-UHFFFAOYSA-N 454.599 0.980 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 916694293 RRSZVVSMNHOFRJ-LYBHJNIJSA-N 462.576 0.928 30 20 JCED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918267168 SOHAFQCPBDTATH-OQKWZONESA-N 487.604 0.226 30 20 JCED CCC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918463273 PHXOBMHLQMVHCY-PTGBLXJZSA-N 463.560 0.909 30 20 JCED CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1286912904 QXBVBWDSTRQEMP-SFHVURJKSA-N 475.575 0.725 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncnn1-c1ccccc1 1288826794 VKTGXJCYTSJHGN-KUHUBIRLSA-N 459.511 0.959 30 20 JCED CN(C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1297935671 LWSCPYISQPFFGL-ROUUACIJSA-N 495.606 0.131 30 20 JCED CN(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCOCC1 1298047563 LWUCIDLJRMJDRP-LJQANCHMSA-N 495.650 0.852 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1=O 1316116042 LUBKFKIWGFGDEV-FPOVZHCZSA-N 481.557 0.653 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 1359084936 WOENPVDPUUWPKL-ZDUSSCGKSA-N 462.370 0.384 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1502309971 PZJCQGPCVJKSPJ-WSTZPKSXSA-N 493.682 0.091 30 20 JCED CCN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)S(C)(=O)=O 1695745888 OBXSOALFETVHSC-SJORKVTESA-N 464.596 0.077 30 20 JCED CCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1695855473 XCYRLXBWNGOHEQ-UHOSZYNNSA-N 464.640 0.939 30 20 JCED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCO1 1697913725 UESUJSHQIOMJSG-LJQANCHMSA-N 456.503 0.439 30 20 JCED CC(C)(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1706153289 JGLGVKOAEVWVAJ-RDJZCZTQSA-N 463.608 0.662 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1708278800 JWYVWOAIMVKLLA-JTSKRJEESA-N 490.586 0.740 30 20 JCED CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(=O)NCC(F)F)CCOC1 1710478740 RNLCHHOJRYACRT-JOCHJYFZSA-N 490.515 0.905 30 20 JCED CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1729633852 VOAJSEMJMLKJMM-FUHWJXTLSA-N 489.602 0.971 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1769912994 WWCWZWVCMPMTFM-UXHICEINSA-N 465.507 0.954 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)Cn4cncn4)C3)C2)c(C#N)c1 1779218630 ABMNPVPNBJTZKQ-UZUQRXQVSA-N 452.515 0.867 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)CCc4nc(N)n[nH]4)C3)c2c1 1779241489 PORGTAUSMPBISG-UZUQRXQVSA-N 477.529 0.895 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C)CCO2 1779288216 NKPZHXPWALVELQ-SMGXNKOPSA-N 476.574 0.976 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1782937355 JZQMHTBRHZYZDF-DSFVOBFGSA-N 498.552 0.980 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1c[nH]c3ncc(Br)cc13)CCO2 1783554678 DNDLOLLPAMRXMS-FQEVSTJZSA-N 475.299 0.786 30 20 JCED CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557545 NXKZOVQFSZRTJA-KSFYIVLOSA-N 451.520 0.988 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1783647373 VKPGWOVFPLANEO-DIVYTMEGSA-N 499.564 0.627 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)NC(=O)OC(C)(C)C 1783787577 QNFXNDBIANROGS-IVZQSRNASA-N 464.519 0.576 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4ncnn4C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784085981 FTTDXFZLOQBUJA-KSFYIVLOSA-N 460.535 0.824 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1785575161 ZCQLBZWZBQXWBK-YCRPNKLZSA-N 467.592 0.750 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]3C2)cc1 1786791299 RSCRXRILNQNJJI-BZSNNMDCSA-N 450.432 0.071 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(S(C)(=O)=O)c3)C[C@@H]21 1786857218 FULWRILJLBDSJZ-SNRMKQJTSA-N 477.587 0.360 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1788703640 PITLHSFLAVIPRK-UTYWTXRGSA-N 461.522 0.626 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1789570767 SHCMYMLCPKHJPX-IYXGVVJKSA-N 455.540 0.954 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc(C)c(O)nc4=O)C[C@@H]32)c(C#N)c1 1789842567 CTNIAHCQCBIAGS-YYWHXJBOSA-N 495.536 0.360 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C[C@@H]21 1790790006 UMXUVTLMAOYGLE-BZSNNMDCSA-N 453.536 0.157 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CC 1792862888 GZFRGJQRSRYZPF-CWQOZTLDSA-N 498.577 0.152 30 20 JCED O=C(CCN1C(=O)Cc2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793052594 YBLZLLXEGDMRMR-ZGABJMRQSA-N 495.580 0.663 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nnc(Br)n3c1)C2 1793342789 RXAGOOJSXDDXHS-JJAZEVLHSA-N 476.331 0.733 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)n[nH]2)N(C(=O)OC(C)(C)C)C1 1795693579 BIVNBKDSJNNQSJ-KPEUIFRASA-N 461.519 0.884 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC 1797586582 COSLRNQSRUAHLG-MUDKKEKZSA-N 498.577 0.500 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC1)C2 1797669615 ZGAOGBXLVNGGNM-XMTFNYHQSA-N 480.562 0.792 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799151853 UJSZJBXOUVDSGR-MWARFUARSA-N 462.547 0.506 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1799232418 HGLHJUOBWLDIFP-KYHREEPGSA-N 490.601 0.894 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2 1799335677 MXAITLCLHUBPPF-RCLSDMTESA-N 488.541 0.803 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(N)=O)C2 1799335951 YLFAUEHOBJTNNB-AJYBTWMASA-N 473.530 0.115 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOCC2)C3)ccc1Br 1799708254 OZWNDPFFWKMNRT-XEMDLRDOSA-N 477.359 0.856 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccc(Br)c3n1)C2 1800779429 CHQYUERXIONVQA-DPIQGUFMSA-N 461.272 0.388 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2 1801002331 NRPBIBQFTXRXLQ-CLWJZODNSA-N 466.579 0.914 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCC)nn1)C2 1802125598 JEGNHQHAWLRRPE-CLWJZODNSA-N 487.557 0.995 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(N)=O 1802164552 BFTJGISGHNJNBP-IVSAIRAKSA-N 453.540 0.104 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1804186055 GTOWLWKCIOZCDT-RDWAJEEXSA-N 472.502 0.168 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808197415 FUKVQIGDKQAVBF-JTDSTZFVSA-N 460.487 0.061 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1808407049 JKJUQYVOAAKXRJ-JTEGUGKQSA-N 489.598 0.371 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1812716896 IANXYARMVUCJHG-AUSIDOKSSA-N 469.517 0.699 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812877874 BWNSGPXEYMIXDF-HLIPFELVSA-N 474.514 0.715 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1819900216 HQMLYGRXSWPGFD-KXQPTHJPSA-N 464.504 0.136 30 20 JCED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)n[nH]1 1821780008 HTOYNDNEMZCTNX-CWRNSKLLSA-N 473.559 0.886 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)n[nH]1 1822699678 GTXNIIHDBVGDIK-YMHTTXFNSA-N 482.545 0.731 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1822833538 WHDUANUCFPDGMC-GFCCVEGCSA-N 466.516 0.684 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824768352 RAYVMFNYOLVJHC-RURPWVQCSA-N 456.543 0.780 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(-n3c(O)nnc3O)cc1)CC2 1825669560 NQHLUZGTTQCNGN-LLVKDONJSA-N 468.451 0.449 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=N)N)CCN2C(=O)OCc1ccccc1 1828973669 HJKRFCJFILJYFV-XMMPIXPASA-N 468.558 0.725 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829523604 FYCBYYORFZASBZ-QEVIJRNUSA-N 450.442 0.288 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn34)C2)C1 1829771898 ZYWINUMUZMTKNC-WRAFWBCBSA-N 467.526 0.571 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829903124 IWOKLIFCURVUOK-GAJHUEQPSA-N 457.531 0.265 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830462832 PZASWZOPUVFWBP-RPWUZVMVSA-N 473.526 0.563 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831175031 SQRYAKHBAMFGTC-UUOWRZLLSA-N 456.543 0.862 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1831390889 ABHDLOSAOJGOFV-JPYJTQIMSA-N 478.567 0.127 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCN(CC)CC4)cc3)C2)C1 1831402961 UMXUYOPQCVUNMJ-WXVAWEFUSA-N 498.624 0.937 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1831420191 UIXQNXDFISPKGG-LRDDRELGSA-N 456.389 0.389 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2 1832022740 LGHVRELNORNWKC-DEOSSOPVSA-N 489.645 0.809 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832356867 HVRFHZSGMKJWCT-ZUQYEVSTSA-N 489.617 0.706 30 20 JCED CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1832544335 FUMQAPZKDMXQEW-HSZRJFAPSA-N 477.514 0.098 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C[C@@](C)(O)CC(=O)O)CC2)CC1 1833076656 HITADSVHQNRUPA-CHFIUFFRSA-N 464.563 0.032 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)C1 1834767511 SFJHJULRMOQZMU-QHCPKHFHSA-N 456.499 0.625 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n(-c2cccc(=O)n2C)n1 1835341992 HRCFDEIRQDXBQR-XMMPIXPASA-N 480.525 0.253 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1835640827 WAJUDYWDOUGQSJ-DRSNIGMVSA-N 488.651 0.639 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835778871 WTSGBSRWBZOSOS-DMGPTTAYSA-N 466.604 0.951 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1837393726 ZZYHDDCIDSRPII-CVDCTZTESA-N 457.531 0.461 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1837401958 APEMGACTWZAYCE-KIBJDZNYSA-N 450.532 0.359 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(C)cc(C(N)=O)cc1C)CCO2 1837437384 VNVLHXHXGXTNIY-VWLOTQADSA-N 487.553 0.982 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1)c1ccccc1 1837612321 CEBAFJRSMLJHDA-CZSZKKDXSA-N 453.539 0.919 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837633797 RTUWEYUSYKNIES-CWNBPXTLSA-N 461.515 0.500 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837647275 JJMCDONVQKEHCK-KSFYIVLOSA-N 456.478 0.695 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1837661582 BGRUGTJAXDTFRZ-HSZRJFAPSA-N 459.547 0.689 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(Br)c3)CCO2)C1 1837810347 FLHAGITVIWFRKJ-YWZLYKJASA-N 466.332 0.952 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc[n+]([O-])cc4)CCO3)C2)c(C(F)(F)F)n1 1838334792 KMGVJSQCERIPGI-NRFANRHFSA-N 491.426 0.989 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048488 AFVVMWSFVMXSJW-YQSZEYAUSA-N 466.498 0.440 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)N1CCN(C)CC1 1839101207 JZRCPZIEJWTGDD-NBGIEHNGSA-N 489.016 0.784 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(C)=O)C3)C2)c(C#N)c1 1839132583 KRZNVIABFXFRNK-HSZRJFAPSA-N 458.515 0.092 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=C\C(=O)NC5CC5)C4)C3)c2c1 1839488183 CCMLVPZTIOFHPP-XLQQFJOYSA-N 478.509 0.339 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839518074 KJIDEKSZYGMGJD-GIFRWZEPSA-N 477.518 0.265 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)c1ccc(O)cc1 1839665614 NDRXFVSCFQKLKN-HFZDXXHNSA-N 494.548 0.603 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1840108027 IYNOZMYLZJUGHG-QZTZHPFYSA-N 496.605 0.827 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1840167339 JZDAQZFWGMVAFU-WZONZLPQSA-N 466.579 0.488 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn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c3ccccc3C#N)CC1)C2=O 18038938 JCLSKYRPOCFZNT-ZHRRBRCNSA-N 473.555 0.892 30 20 JCED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 505848110 MKNNZYCSWCPKSY-UHFFFAOYSA-N 480.572 0.646 30 20 JCED CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2ccccc2O1 516486067 UFOGGSQGYDUQQZ-FQEVSTJZSA-N 462.510 0.922 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)CC2)c1 518074845 XXAQLWDGDXBZIK-OAQYLSRUSA-N 490.520 0.255 30 20 JCED N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O 590292658 GCPUWQMRTLPCND-UHFFFAOYSA-N 487.415 0.927 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 603591442 HLYUYWXILFGVKU-UHFFFAOYSA-N 484.538 0.507 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1Cc1ccccc1 604118843 TWCNPTDZJLIGAA-UHFFFAOYSA-N 497.598 0.627 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 608828179 JCEAYMOSZZKSMV-KBXCAEBGSA-N 492.557 0.980 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 642786236 ZSBSTCLIBOVCKW-UHFFFAOYSA-N 472.570 0.457 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(=O)N(C)C 726576724 BCLROEPBINMINQ-CQSZACIVSA-N 475.592 0.520 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)c1 727232136 XUIFESKCRZYZAB-KHJVFXTQSA-N 463.560 0.942 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CC1 728534032 DMCKSKRCSVDVGT-KDURUIRLSA-N 460.600 0.860 30 20 JCED N#Cc1c(NC(=O)CCN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)sc2c1CCC2 728915518 VRHRQMJUZKDKFY-CQSZACIVSA-N 486.641 0.572 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 800763087 QEXWRHKQISHEMM-UHFFFAOYSA-N 456.480 0.911 30 20 JCED CS(=O)(=O)Nc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 916420492 MNTALUYOWMULMQ-UHFFFAOYSA-N 451.482 0.634 30 20 JCED N#Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1C(F)(F)F 1186223042 XBUTUMYJHULMGW-GJZGRUSLSA-N 453.464 0.353 30 20 JCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3ccc(C#N)c(O)c3)C2)CC1 1465434899 IRJRUWKNDJRLEX-UHFFFAOYSA-N 450.517 0.971 30 20 JCED CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)CC1 1502311065 LTGWQHFDAQXERC-GOSISDBHSA-N 474.635 0.828 30 20 JCED CCCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1515118401 WMHDNOUHUMQJEM-UHFFFAOYSA-N 451.535 0.520 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccn(C)n2)c1 1617706284 RMOBRGDMHJHWPJ-SFHVURJKSA-N 470.559 0.900 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 1648445641 WWZUIYSNGGOPSI-JXXFODFXSA-N 458.581 0.746 30 20 JCED CS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1712701033 YSZZDBPSRZFIKR-INIZCTEOSA-N 461.523 0.611 30 20 JCED CC(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750982072 QIKHHUBIXRFSLM-QGZVFWFLSA-N 451.535 0.737 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1751228971 XBYOYAWBTIPXOI-KSSFIOAISA-N 458.610 0.843 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1770354509 WQFKSYFYNCIYTD-AZUAARDMSA-N 490.586 0.910 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1778088717 XSBRPMHWHPEVHN-YJXLLHPSSA-N 457.593 0.753 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778787095 KSKCBHQCRRGQLH-YGKZAACZSA-N 498.577 0.740 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1778920561 BXPXFRIHZBTXAC-OPAMFIHVSA-N 479.534 0.535 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019172 MWOSTQAZSPYFRR-MSISTTHUSA-N 481.594 0.564 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066271 NWHZZEBZISNIHR-AREMUKBSSA-N 484.549 0.978 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779423337 LEGQCYVSQQMJQJ-VRNJABGUSA-N 468.551 0.180 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/N2CCCCC2)C3)no1 1779434506 ZDFARUUHHKKRMC-OTHBRBSCSA-N 474.562 0.698 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cc(=O)nc2cccnn12 1780039783 HWGDMNMNBDOMNN-XHPZRIKISA-N 498.540 0.746 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cn3c(nc2=O)SCC3)C1 1780542867 DLTUVTPVXJPKTP-JTUHZDRVSA-N 474.583 0.444 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781112238 VCFMKQQSUKMOMF-GEYWLOKFSA-N 471.620 0.999 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1781169626 VZKKDDVMPSWOJF-WZONZLPQSA-N 467.563 0.522 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1782147080 PRIPXJFLCHFIFO-QVKFZJNVSA-N 452.504 0.711 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783443257 OXYHVZOYGORSDQ-KJJMTIBFSA-N 456.543 0.622 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783674529 YIQAUFOABNRKOI-FJIDUMEYSA-N 481.594 0.707 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)CCO2 1783897506 LSVBXPCGFWQSLT-YRAONVGVSA-N 477.583 0.907 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[C@H]2C1 1784604454 LJUYBCSAHAOQOI-TXTZMMAHSA-N 464.563 0.394 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)[C@H]1CCc2nc(O)nc(O)c2C1 1785330442 HBFVURXZBJRNTE-DYKZOPNRSA-N 486.573 0.444 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1785616671 NATFQVXDWYTGEF-JHQQDIAJSA-N 461.515 0.692 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786699292 KVMYKFHMDKDUPR-NXOAAHMSSA-N 478.546 0.726 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)c(C(F)(F)F)n1 1787198950 NUODGNIJFJSMKV-DDWPSWQVSA-N 482.463 0.158 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637558 ZUGJKIYKIFNVMY-XWUOBKMESA-N 482.581 0.878 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1789510480 QIYIEEJOKLRLBP-QNHTTWNFSA-N 455.540 0.954 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3C2)c(C(F)(F)F)n1 1789761949 CVWDMLMBHMQOJO-VCQFHVMDSA-N 467.448 0.288 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1789808680 OSJXAAJUQIBGAN-JIFZMYKYSA-N 479.574 0.232 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)C1 1792629459 DQYPIGBOGLDEOU-YVSFHVDLSA-N 450.536 0.762 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1793354418 VEZHFFTVKZEZML-ZSXDVEMLSA-N 467.563 0.803 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794403379 BONHKWPOOLOQOC-OAFZBRQQSA-N 451.545 0.421 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)CCOC1 1795600106 SZIVPNFQYSBMGJ-AIDSWVIKSA-N 493.605 0.542 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795853589 VDLIWZKFTXXZKB-SFNKJDCFSA-N 462.551 0.727 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H](N)C(N)=O 1796078630 GSZWZLAVWVXVGJ-ZHCJQAHYSA-N 451.568 0.687 30 20 JCED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)cn2[nH]cnc(=O)c12 1798466547 LBDGFMNZKVUSET-UPHUGPLXSA-N 476.493 0.485 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1799304431 QGAIFLNBXPMJKD-XEMDLRDOSA-N 483.562 0.627 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COCCO)ccc1Br 1799339490 ZHJFSGFFELGCFC-JLVBRIDZSA-N 452.305 0.533 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1 1801349260 VJMXLSJUDBPLNE-CLWJZODNSA-N 473.530 0.362 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c(O)nc(NC(=O)C(C)C)nc21 1801458492 DGFSBDKSTCSTRN-WCXIOVBPSA-N 497.556 0.803 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)ccc1F 1808559672 FKHWQTLMZSUFSK-IGKWTDBASA-N 481.528 0.991 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)CC2 1819774516 QNVDTIXSDZYUBF-PITUFAOZSA-N 491.599 0.992 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)NC(=O)OCC)CC1 1823746729 KIQBVMZAZRERGZ-XGKTYTASSA-N 450.536 0.529 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CC[C@H](N)C(N)=O)CCN2C(=O)OCc1ccccc1 1828990086 MDHSNESYNJPKFG-YADARESESA-N 471.558 0.607 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1ccnn1 1829247243 NHSSMMFSBICBHA-MHECFPHRSA-N 494.508 0.379 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 1829263015 CVJANHKVOJVNIN-VWLOTQADSA-N 462.506 0.934 30 20 JCED C[C@@H](CN)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332501 OJQXYYNJMAZZED-GAJHUEQPSA-N 456.499 0.121 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)cnc3O)CCO2)C1 1829559951 FOZKUBWHVNXHFO-OAQYLSRUSA-N 465.938 0.792 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C3)C2)C1 1829675366 ZRRXQYVKUWOULQ-MHECFPHRSA-N 495.573 0.865 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)OC)CCO2 1829944394 CZDUMHPHFWDUSY-SBUREZEXSA-N 467.563 0.784 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(N(C)C)c3)C2)C1 1831397307 QNIXQZBNTJAJGW-KOSHJBKYSA-N 459.543 0.870 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1831418198 AYCVGZJPIQWAKB-IMWIBFENSA-N 463.575 0.825 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1831998815 LWEMRQOEAXQWAJ-HOIFWPIMSA-N 455.552 0.683 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1832000105 HBJMQQJQIHCODA-JLHGSKIFSA-N 493.565 0.160 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1833075160 RYLTUXOXMCLIFU-JTGQJZMRSA-N 462.595 0.124 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c(O)n1 1833699264 XKHAISJFQRNNPA-JPYJTQIMSA-N 458.515 0.254 30 20 JCED Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)c(=O)[nH]c1C 1833939308 RLWNNNDJEHHGSN-UHFFFAOYSA-N 471.606 0.854 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834034397 OTEXVKPLCYMPCZ-JPYJTQIMSA-N 473.530 0.463 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)COc3cccnn3)CC2)CC1 1834715947 WIIIVSNFKPZUPC-UHFFFAOYSA-N 457.579 0.709 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCOCCOCc3ccccc3)C2)C1 1834768681 JRKLOSKGINTYJZ-XMMPIXPASA-N 475.542 0.606 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1834937145 UWLBVJQOWTYVMT-VGSWGCGISA-N 454.568 0.474 30 20 JCED CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1834945654 SVDYPYQEDWYTGY-VGOFRKELSA-N 488.651 0.606 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1835714260 SJQSYBHTGSFURQ-LJQANCHMSA-N 459.547 0.933 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1835753730 GXZMUMLJKUPWRU-IBGZPJMESA-N 450.536 0.603 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836193374 KQIJUBADMPOTLQ-NLFFAJNJSA-N 486.569 0.997 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(OC)c3F)CCO2)C1 1836237157 KEDUBEDKMILSRD-AOMKIAJQSA-N 451.495 0.872 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)CC2)CC1 1836726408 NDYXODDOBNVFFK-DEOSSOPVSA-N 475.590 0.079 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCO4)CCO3)c1 1836970699 GWZJDEWGBUNIED-DEOSSOPVSA-N 481.509 0.930 30 20 JCED CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837242959 BZRQEHBSMUYGHT-ROTAYESASA-N 451.520 0.926 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527519 OYEHWEFXKZZPFO-COMZKJJYSA-N 465.551 0.254 30 20 JCED O=C(CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2)N1CCCC1 1837559706 CAVJATTZGOAJSL-RZZUAFPKSA-N 460.531 0.558 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837701579 SEXMRINJPXHJBX-XDHUDOTRSA-N 470.526 0.256 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1838266891 QSDXGESUWPHDNB-UHFFFAOYSA-N 463.531 0.940 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)nc4sccn24)CCO3)cc1 1838415154 YKRFTSXHBGNCMQ-DEOSSOPVSA-N 493.545 0.940 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccccc3Cl)[nH]n1)CCO2 1838717420 MGWQAEWQSLLPGJ-JOCHJYFZSA-N 472.885 0.888 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1839172375 QJJWDVYIDZEBEW-HSZRJFAPSA-N 451.564 0.684 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1839185048 LWOOSXMBRVXWOE-HXOBKFHXSA-N 492.577 0.745 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1839225705 QYRCMGFDNQTBIZ-VGSWGCGISA-N 458.519 0.909 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H]5CCCOC5)C4)C3)c2c1 1839489511 ZTJIUPLEOQYYGR-GAJHUEQPSA-N 453.499 0.931 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc(OC(F)(F)F)c1)CCO2 1839799958 IIKBJEWUUDXMGS-FQEVSTJZSA-N 470.400 0.672 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1839842679 CWBGAQOKEPYIBP-WAIKUNEKSA-N 471.514 0.961 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1839844617 PCEBHPVXDWWXBE-IUKKYPGJSA-N 469.579 0.931 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4c[nH]nc4cc3Br)C2)C1 1840043419 WZZKIOYITAIFIM-HXUWFJFHSA-N 491.298 0.483 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Oc1cccnc1)CCO2 1840453006 KKNBMDXVPQCYQT-FDDCHVKYSA-N 461.515 0.815 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1)NC(=O)OC(C)(C)C 1840795725 YJZQKZZPCSFXIY-KSFYIVLOSA-N 478.550 0.734 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)CCO2 1840798589 WNMSPUJAZHGIJY-IUKKYPGJSA-N 499.630 0.737 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840907403 UIZRAWKXXGTDCA-QMHKHESXSA-N 489.529 0.169 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1)C(C)(C)S 1841650402 SUFVSVHLFDONRR-QWHCGFSZSA-N 456.565 0.900 30 20 JCED Cn1c(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c(C#N)c(=O)n(C)c1=O 30762324 FHBOYMKNFLMJLE-UHFFFAOYSA-N 474.362 0.291 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CC1 518135662 USPOSYGLWUOLGC-UHFFFAOYSA-N 475.914 0.782 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccccc3F)c2=O)cn1 523181823 HOFJKEHQDVZGHV-CQSZACIVSA-N 455.515 0.909 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 523733431 IPCKOIHBJHJBGQ-UHFFFAOYSA-N 491.953 0.690 30 20 JCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCNS(C)(=O)=O 589160665 LTSQRGXIBURJAR-UHFFFAOYSA-N 477.608 0.976 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828931 RYQLEMMSQCNCBI-UHFFFAOYSA-N 483.531 0.995 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1C 731204818 RWBRSAGOYXLRKW-UHFFFAOYSA-N 459.593 0.697 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(C(N)=O)cc2)CC1 749788011 LMBRKCWISFEVIO-UHFFFAOYSA-N 456.480 0.347 30 20 JCED Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1sc3c(c1C#N)CCCCC3)c(=O)n2C 825370168 NANXAGQSWMNDLC-UHFFFAOYSA-N 470.511 0.818 30 20 JCED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 916938183 HWMINDUZMBQZQD-JKSUJKDBSA-N 474.495 0.676 30 20 JCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 920395586 XRWQPSNDGDRUMT-UHFFFAOYSA-N 488.522 0.511 30 20 JCED C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(=O)(=O)N(C)C 1286961598 PSSQCFUKWFMOOS-OAHLLOKOSA-N 483.620 0.683 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(-c4ccccc4F)n3CCNS(C)(=O)=O)CC2)c1C#N 1304731110 LRTSQSWSPOBQOC-UHFFFAOYSA-N 487.565 0.874 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCCO1 1305205769 LHNTXLIFIAQZCZ-KKSFZXQISA-N 461.544 0.894 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3cc(C(F)(F)F)ccc3=O)CC2)o1 1337301587 OYLYITGRRVNZJI-UHFFFAOYSA-N 453.377 0.927 30 20 JCED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1360619302 QECWDSWJFYZOBG-CQSZACIVSA-N 454.578 0.577 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@H]1C 1507785445 OGBPNIUUUIAJRR-HIFRSBDPSA-N 491.412 0.577 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCN1CCCO 1541926145 NMIFKQJOQGZOEP-SJLPKXTDSA-N 453.613 0.865 30 20 JCED C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1565853206 LNBRARLQKGRQIO-KRWDZBQOSA-N 456.572 0.837 30 20 JCED CCCNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614954196 SMTHWILATLDYMG-UHFFFAOYSA-N 482.593 0.671 30 20 JCED CC[S@@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617431502 FVSFIILZVROASW-AUMHUTNHSA-N 477.616 0.542 30 20 JCED CCN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1710142924 VUEHPZOHQLWTRR-VQIMIIECSA-N 472.637 0.982 30 20 JCED C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1726765366 MXJXITBJBLWKKU-IERDGZPVSA-N 460.560 0.828 30 20 JCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740743029 JICVLSBETRXCPW-CQSZACIVSA-N 454.373 0.784 30 20 JCED CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1741700307 BGPSPRXBQQSNJN-HNNXBMFYSA-N 453.569 0.266 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1747449239 WYELUVVTBKLJIG-SFHVURJKSA-N 487.586 0.869 30 20 JCED CN(C)CCOc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1747594975 ORBKNSFJAIXDJM-ICSRJNTNSA-N 474.587 0.898 30 20 JCED Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)c(=O)n1C 1751517319 QWWXDCILUIGCNK-YJBOKZPZSA-N 474.591 0.120 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2 1779429548 VPEOSLFYWRAYDE-XMVHEJSISA-N 477.518 0.604 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCO3)c(C#N)c1 1781174245 JQABHJKKMUBVHC-DEOSSOPVSA-N 465.510 0.953 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1781271921 RXJQGLGDYYMPQK-ZEQRLZLVSA-N 495.573 0.698 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@](C)(O)CC(=O)O)C1 1782206919 YSXGNRMUJILEKK-NPFVIJTESA-N 454.520 0.626 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NCc3ccc(OC)cc3)C2)C1 1782781052 QLGZJKWOVGSJGE-DFBJGRDBSA-N 471.554 0.960 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783682495 PCMWPJPXLQGGMA-VWLOTQADSA-N 496.601 0.211 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2)c1ccc(O)cc1 1784015213 WRFAJRNRKKKCTJ-YADARESESA-N 453.543 0.559 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088398 NDNSKEDLISKMMW-JTSKRJEESA-N 485.603 0.817 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CC(N)=O)C[C@@H]21 1784787346 ZGEJIZQXFMXCEV-ICUGJSFKSA-N 466.579 0.947 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785377941 WAYVPPJUDSSIJI-HOYKHHGWSA-N 488.541 0.653 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1785596645 PMUMUBIENDWYTC-JXULPDFHSA-N 462.547 0.422 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C(=O)C1 1785667413 VVAVAJFBMGZGBZ-HSZRJFAPSA-N 477.562 0.445 30 20 JCED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCC2)cc1 1786358302 YWNJXIJYRHQENB-INIZCTEOSA-N 492.536 0.606 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786645356 ZJOBWPTYQVMJOW-NXOAAHMSSA-N 473.592 0.480 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)C1 1786702668 GELORQBOWYBGJP-VMXHOPILSA-N 464.563 0.888 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788653149 WBJJICYUWPXAOX-OVJJIZRPSA-N 498.577 0.381 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(C#N)c4)C[C@@H]32)no1 1788669993 JVSRWOHDWNXDPD-BJLQDIEVSA-N 451.483 0.878 30 20 JCED CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789728652 YUIZSKJZACHUQP-IHRRRGAJSA-N 481.958 0.978 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C[C@@H]21 1790793467 CFNXNTYDWQSWHX-ZULIPRJHSA-N 452.559 0.880 30 20 JCED CC(C)C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)N1C(=O)c2ccccc2C1=O 1791078114 LAYPERBZVHBRMR-DVWBAYGPSA-N 495.532 0.765 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791343226 STEMUXFLEXZKAJ-VMXHOPILSA-N 478.590 0.962 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1791508545 MRDAFGDMFSCWAD-DKIMLUQUSA-N 460.535 0.739 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1793597286 IYUBGKAHWFALCW-LTCOOKNTSA-N 489.529 0.847 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)c1 1794320399 FYXDYUPYOFZBDU-YAHCNQDQSA-N 463.560 0.160 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)OC 1795130643 KCTUTEXCOVZYST-YYAJDYIMSA-N 453.536 0.999 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)[C@H]2OCC[C@H]21 1795420498 BMGSLZAYXBTZML-FPMBYBGASA-N 462.547 0.904 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N)C(C)C 1795422011 PCGUNRKJCKERKH-VYMYIBDJSA-N 477.562 0.251 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](NC)C(=O)O 1796094039 PJNHVKVGGSWLNC-ZHCJQAHYSA-N 450.536 0.604 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cccnc2)c(C#N)c1 1796399153 NPTJTIUTEXLMOF-MNHFLQJXSA-N 463.538 0.664 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1C(F)(F)F 1798106479 NTBQEFXJTKLRLL-LXBXGBMDSA-N 455.437 0.501 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1798550260 PNKHXTCNCARQPR-BRDHYNLMSA-N 458.519 0.762 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)ccc1NS(C)(=O)=O 1799780958 ZOMUOKZTISCKQH-ZTENYAIWSA-N 483.974 0.953 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2)[C@@H]1CCCS1(=O)=O 1800390059 UAHANQZSZZEHAN-WQDJSCAQSA-N 450.944 0.858 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1 1800872061 DQTCWSNTJWOYPP-CCWDJLKJSA-N 480.974 0.902 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802107809 SNSSWBHRUQPVNR-YVWYUNDQSA-N 474.564 0.387 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]2c2cccnc2)c(C#N)c1 1808180149 YDAYOSSPTURCGP-JPYJTQIMSA-N 493.520 0.753 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3ccc(C#N)cc23)[C@H]1c1cccnc1)C(=O)C(=O)O 1812392873 ZEWXBPUOCFKUHH-KKSFZXQISA-N 489.492 0.692 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)N2CCN(C)CC2)[nH]n1 1814438509 NZAJKJCCORKLCN-TXKXQZRUSA-N 457.579 0.896 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828522859 LAJDHFSDCPRTGJ-DEOSSOPVSA-N 487.557 0.031 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1829330578 LESRYVHKERJRJZ-UQBPGWFLSA-N 496.520 0.053 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1829762962 VDNOOJTWBVIUGY-IIRYRQSKSA-N 492.573 0.311 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056453 ZPGRPWFHRKHXJB-GAJHUEQPSA-N 480.562 0.628 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)CC)CCO2)C1 1831192418 FXZJKMSZCSETDM-XFAGBWLFSA-N 494.589 0.274 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-c4ccc(O)nn4)cc3)C2)C1 1831399583 XRLYYXOTXYBNSI-IQGLISFBSA-N 480.521 0.958 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@@H](C(=O)OC)C3)C2)C1 1831401367 AROMPPCUDFQRPM-ISJRUSPKSA-N 450.532 0.461 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1831418777 GQHSHBTXLJWASN-SIBVEZHUSA-N 499.564 0.649 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833028414 OQSKUOPAPPTHMX-NXHTTZLHSA-N 460.531 0.661 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1833482708 DYWNKYYRWMKGMF-IBGZPJMESA-N 481.659 0.937 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833654575 KMGLOMRADCFWRT-XMMPIXPASA-N 483.525 0.847 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1833724742 ZJLKHYSGVICACF-ZGNKEGEESA-N 475.546 0.949 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)CC1 1834716324 TVRMZGWQUWIZFN-UHFFFAOYSA-N 489.665 0.004 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1834777190 UWRVCQVROLJLHF-NDEDVSTASA-N 457.483 0.513 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1835732394 REAYNDLYILDUSR-LKUDQCMESA-N 462.639 0.752 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)CCO2 1836289610 FFGBQRFRXQFLJR-XMMPIXPASA-N 482.541 0.049 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836394786 WGWZWFGVKSUSBK-ZZAWEDPDSA-N 455.519 0.271 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(CCOC)n3)CCO2)C1 1836551061 COIQSUSBNXLUFX-AVRDEDQJSA-N 450.536 0.173 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837208888 IBONRXGADOWQIB-UWJYYQICSA-N 480.905 0.346 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837531620 REVIIOMAWYRKIC-WFIYKGMKSA-N 467.910 0.729 30 20 JCED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1838022977 FPWADNLANIJETJ-UHFFFAOYSA-N 465.461 0.636 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(F)(F)F)nn3C)CCO2)C1 1838076462 HMXOGXPRPPGMFI-IFXJQAMLSA-N 458.437 0.547 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)c21 1838439107 JFXOYTNVXCBXDG-HSZRJFAPSA-N 464.482 0.862 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838595571 WJJANVGJYYWUTK-FQEVSTJZSA-N 469.947 0.716 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838798211 IEUQJLHDGBJVTC-QFIPXVFZSA-N 459.886 0.942 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCC)nn1)CCO2 1838831374 HQDZVFIXCCGANV-JOCHJYFZSA-N 462.503 0.455 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1 1839130829 WOYXKPQTBYXBKG-HOYKHHGWSA-N 497.589 0.759 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C(=O)OCC)C2)C1 1839175884 KDBGEMJNCKOOLS-JOCHJYFZSA-N 454.520 0.542 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1839176608 XXFAFNYJCIQZAL-OAQYLSRUSA-N 452.504 0.296 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)n1 1839362089 XBJCSSLCCMFZNH-XMMPIXPASA-N 467.526 0.979 30 20 JCED CN1N=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)CCC1=O 1839419672 OYOJGLTYONKGPO-QFIPXVFZSA-N 457.462 0.376 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c1 1839453763 CGEWWDJEADDLPG-GOTSBHOMSA-N 459.499 0.553 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)[S@](=O)c1ccccc1 1839672757 UATZTDPAVOZMTO-NUYXFIGUSA-N 490.626 0.921 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839705537 JSZMPDVLXXDFLF-STSQHVNTSA-N 492.577 0.765 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)C3)C2)C1 1839808596 VXFOSNHVAKKOAJ-HRAATJIYSA-N 471.501 0.968 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840164927 TVGGXXPCTOZCBX-KGWSRGFLSA-N 473.592 0.131 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1)c1ccc(O)cc1 1840219067 ADPMUCBZOQITAE-NBGIEHNGSA-N 486.569 0.617 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2)c1ccc(O)cc1 1840233670 XUXKLFKLHIYLOC-UZINWLIJSA-N 483.565 0.872 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CCO2)C1 1840361653 PGKZRGWQSPTYGJ-UZUQRXQVSA-N 458.563 0.253 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c1 1840711971 PTCGJBDQFLPGLD-YQOVMPOYSA-N 454.527 0.910 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)CCO2)C1 1840806402 WHMXEKKBRMEXOD-VGOFRKELSA-N 486.635 0.314 30 20 JCED CCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819102 OTYLCXIMSYZINU-QHCPKHFHSA-N 453.499 0.924 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1840840927 UIZIXGBZVZSMEE-FDDCHVKYSA-N 463.531 0.435 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)C(C)(C)O 1840916606 RVTQVJBNGBLSGJ-MWTRTKDXSA-N 482.578 0.657 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCCNC)C1 1842918322 WHKKUCLIFWXMNT-KRWDZBQOSA-N 481.594 0.995 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842946664 WVVZVNHMVUIOKP-IRXDYDNUSA-N 463.579 0.479 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCc2ccc(OC)cc2)cc1 520432114 NLMAMERGFSAMHK-UHFFFAOYSA-N 474.539 0.873 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc3c(c2)OCCO3)c1=O 523745110 MQXQJGKAZMKDRN-UHFFFAOYSA-N 473.551 0.373 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC3CCCCC3)c2)c(=O)n1CC(N)=O 608910966 ZRECGBPCPDQERF-UHFFFAOYSA-N 498.605 0.620 30 20 JCED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 608912364 JYEMKYQPGSAIRH-UHFFFAOYSA-N 499.593 0.768 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCNS(C)(=O)=O 608912615 RDUIBWYKMSAWIY-UHFFFAOYSA-N 476.624 0.610 30 20 JCED N#Cc1cccc(NC(=O)C2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)c1 749147582 AUFJICPCPMBOPK-SFHVURJKSA-N 471.539 0.901 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(OC(F)F)c2)c1=O 838221691 LCNWRZRPBUUIIH-UHFFFAOYSA-N 495.504 0.528 30 20 JCED CS(=O)(=O)N1CCC(C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 917010353 BXVMISSTSKGSRH-SFHVURJKSA-N 463.516 0.624 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCOCC1 1286971209 ZUXVEQFPDIYELB-IRXDYDNUSA-N 469.612 0.318 30 20 JCED CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC)[C@@H]1CCS(=O)(=O)C1 1295175040 SXCRYTZKQCPIRE-MRXNPFEDSA-N 452.562 0.379 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507785727 PWIVRHFINYOABR-STQMWFEESA-N 482.426 0.559 30 20 JCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1552713387 OTLWDRPUPMUWED-UHFFFAOYSA-N 496.572 0.781 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCn2cncn2)CC1 1586803040 VDWARLVFSBUVLP-GOSISDBHSA-N 459.576 0.720 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cnn(C)c2)CC1 1593887168 XHSBCRVKBYYRLM-MRXNPFEDSA-N 470.987 0.424 30 20 JCED CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1711422456 PTPDQXZMRSDPEK-INIZCTEOSA-N 463.539 0.669 30 20 JCED CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCOC1 1728780172 PJQJLOBCKMSNDP-PXNSSMCTSA-N 452.581 0.952 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)CC1 1741988390 PDAAMXUVQVAZLF-OAHLLOKOSA-N 456.594 0.346 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1751228727 NJZAMYGBAVJVMY-GDBMZVCRSA-N 466.612 0.227 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CC1=O 1769880420 SXGSTWJGVDDNDO-SFHVURJKSA-N 481.557 0.782 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1778381223 RMDAZFUZHQJVNC-VWLOTQADSA-N 476.537 0.965 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1778980232 SNVUFPUUUXIZBN-AOMKIAJQSA-N 462.572 0.295 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)c5n[nH]c6ccc(C#N)cc56)CCO4)C3)CC2)CC1 1781110372 QDAMZGKZHGMESR-XMMPIXPASA-N 477.569 0.658 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1781148533 BLHOVARFXPXURD-ZMPRRUGASA-N 486.635 0.896 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1781296067 QRRQLYYEVSPEQP-JTSKRJEESA-N 452.552 0.812 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1781382930 KZZLUOOTPUZHCW-HSZRJFAPSA-N 467.563 0.596 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015458 NTOIZSVPWKUSOG-HZCFWTAGSA-N 475.542 0.988 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783151003 JXZUDPIAVNPHRI-HXOBKFHXSA-N 464.563 0.779 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1)C(F)(F)F 1783992153 AGBMNEOODNJIDM-AJNGGQMLSA-N 465.469 0.970 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1 1784414122 FZIDVGYBJCZJTN-DAWKRRPCSA-N 464.563 0.572 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2)NC(=O)OC(C)(C)C 1785305291 YOBSWHNGIROBMF-WXVUKLJWSA-N 496.605 0.326 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1785624914 WRKRAGPZOJJCSD-MWTRTKDXSA-N 492.577 0.462 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368781 PDXCNNHXMWDGOI-VGWMRTNUSA-N 452.508 0.336 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1cccn2c(O)nnc12 1787385845 UNMGBHBTCYBUEN-LNSCNSGOSA-N 452.471 0.740 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)n4cncn4)C[C@@H]32)c(C#N)c1 1789842736 JLYNBSIKVIDODL-GWKIZSTFSA-N 452.515 0.942 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1789912128 NZPBDYZVWOXCKK-KHSAKVFQSA-N 486.569 0.972 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789927865 DMGGJDCEOOBTIE-FKSLSLAPSA-N 467.563 0.280 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)COc5ccc(O)nn5)[C@H]4C3)c2c1 1790591788 WPPKFECOTURBAY-ZVZYQTTQSA-N 477.481 0.602 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnn(C)c3)[C@H]2C1 1791670088 HFTSZHDVAGZCRO-HAGHYFMRSA-N 473.574 0.859 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1792272800 RFIKHRPJTUAXJC-OVWQWFNUSA-N 488.545 0.248 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1792527822 NDLGSXJELMQKQJ-OMZCGLGVSA-N 491.585 0.783 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1793664454 CUVVMWJXJPTWLM-RDGPPVDQSA-N 495.617 0.911 30 20 JCED COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c(F)c1 1794452015 IOIKVBZNJHFDRM-WXKQYWHFSA-N 450.467 0.962 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOC2=O)C3)c(O)n1 1794491061 QVOVZOWKAFUWOG-CWPLJXCYSA-N 458.515 0.951 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795645565 MUYFUQVAQSGHLA-IHEQNBGGSA-N 494.589 0.336 30 20 JCED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H]1SC(=N)NC1=O 1796881334 TVSGPJNJSNBTJU-MMTIKZAWSA-N 451.549 0.956 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 1797117506 HKLDUNREKFINSI-NQNKBUKLSA-N 457.593 0.920 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCN3CCOC3=O)c2c1 1797169629 SMDGMYUDEZPPHQ-CCWDJLKJSA-N 452.471 0.480 30 20 JCED Cc1nnc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)s1 1797809032 YPRHKRIIMYQZMS-KTBCIGELSA-N 451.549 0.898 30 20 JCED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)n(-c2cccc(=O)n2C)n1 1797837178 LLGOKFBDMRJFNP-GCMSJHEWSA-N 492.536 0.795 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)c1 1799750634 BBRCDDIGSBOWFW-IVWMJMPLSA-N 462.528 0.761 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1802138884 YPEUDPNFBZLJSK-UDDTXQRTSA-N 499.568 0.853 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)C2)C(C)(C)S 1802180682 JAHDQXKKQDWYGF-FHULIHMCSA-N 470.636 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@H]1c1cccnc1 1802482824 PKSFFEORCZVDIK-GLPQSPQZSA-N 464.482 0.748 30 20 JCED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1803555462 JYUCELHNFSDIOF-UZLBHIALSA-N 466.502 0.510 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1820897695 UNVCKUYXVSYTSY-KRWDZBQOSA-N 451.524 0.198 30 20 JCED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1820970081 WERARUDETURKHE-RISCZKNCSA-N 456.467 0.643 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3ccnn3)C2)C1 1828806305 PIXPMQZVVXSXGU-QFIPXVFZSA-N 451.487 0.644 30 20 JCED C[C@@H](NC=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1 1828921457 WGEZLMFSXZUDQB-HOYKHHGWSA-N 467.526 0.877 30 20 JCED CCC(=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829335033 QRVNNIDGGHOJDU-QHCPKHFHSA-N 455.467 0.506 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1829771581 WKFWJTCZHOMBTQ-YLNCNTMDSA-N 461.490 0.519 30 20 JCED CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1830526468 VNAJQNZAWJXLIA-UUOWRZLLSA-N 494.589 0.755 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CCO2)C1 1830880259 JCDKZKOQNVFRHH-IMWIBFENSA-N 495.573 0.117 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(Cc3ccco3)C(=O)OCC)C2)C1 1831402471 IDHCSACBWLRIFS-DVECYGJZSA-N 491.541 0.733 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1831998592 OLLBKCSXZLLOTG-HXOBKFHXSA-N 477.562 0.960 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCC)C2)C1 1831998649 PHJCVRGWQWYJQT-JTSKRJEESA-N 455.552 0.949 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)CC)C2)C1 1831999849 DNULFKFJHVKZOS-KSFYIVLOSA-N 453.536 0.891 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1832000798 XDLDAMURIDOSEG-VFNWGFHPSA-N 464.523 0.344 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1832000805 XPBVNFIXHJYSNW-QVKFZJNVSA-N 465.507 0.609 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1833303894 DJMJXJIEUCLOLV-RUZDIDTESA-N 477.521 0.755 30 20 JCED COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1833767134 SUXCBHNJISANOJ-XMMPIXPASA-N 457.527 0.859 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2)CCO3)c(C#N)c1 1834031847 GSJRXCBAPKPWPR-QHCPKHFHSA-N 451.483 0.670 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C[C@H]2OCC[C@H]21 1834769015 VMFMKWLEUCKEKK-IPRDPGLQSA-N 492.573 0.771 30 20 JCED Cn1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(C(F)(F)F)n1 1835677209 BHLVRURSUABHMM-HXUWFJFHSA-N 486.495 0.791 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1836727336 DOGSAWIAGVZGSE-LEWJYISDSA-N 454.499 0.706 30 20 JCED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1836762643 XFUFDKPHWCUVAX-HOIFWPIMSA-N 450.536 0.859 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)C1 1836930749 HULFKTIUSDMKLQ-QHCPKHFHSA-N 454.531 0.915 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)N1C[C@@H]2C[C@H]2C1 1837286254 FNGOVRFMTKUTHW-VWEIPLKFSA-N 459.587 0.482 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1837443763 IWVWNNKXTBZHQG-ZICLHRSZSA-N 464.441 0.020 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1837445330 PYIYOQSNEBVFDE-XMHVBLFMSA-N 475.502 0.842 30 20 JCED Cc1nc(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)o1 1837531658 SETQHAZLPUMEMT-UWDDZFTESA-N 450.492 0.890 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837863484 SVJQTZNPEOYRSG-GOSISDBHSA-N 480.562 0.315 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1838581927 WMHOSLMFPPUHHQ-XMMPIXPASA-N 469.542 0.919 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCSC)C3)C2)c1 1838583787 ODKXZHULIQFXFD-KNQAVFIVSA-N 463.556 0.751 30 20 JCED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838595396 NOVHZKNKDDUCNV-OAQYLSRUSA-N 451.907 0.945 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)CCO2 1839139641 OJYOOLSSAMMSLH-XMMPIXPASA-N 499.605 0.967 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3OC[C@@H]4CCN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1839810528 BPHJEHVKYWMJAS-KSYXXAMZSA-N 491.585 0.738 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1)C(F)(F)F 1839892650 ZDDIEZHWRAJPRM-KRWDZBQOSA-N 478.449 0.027 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840019090 QFZSMLDTXDVDDY-MUCNXURCSA-N 462.547 0.859 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(Cl)cc1[N+](=O)[O-] 1840043764 SWFJLPXWFKLMOK-FQEVSTJZSA-N 465.846 0.715 30 20 JCED CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043946 DKBIADWLBYFPIR-HXOBKFHXSA-N 481.546 0.470 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)n1cnnn1 1840476624 KPQYWAWBWFTWPN-DJJJIMSYSA-N 494.434 0.290 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1840819216 WNHFAUFTDYVQRI-LADGPHEKSA-N 465.510 0.488 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1840845243 QDRAVTLEEMUQLF-FDDCHVKYSA-N 481.546 0.313 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840853276 GEDSFNWVTXRNAN-VWMTZVMLSA-N 468.551 0.277 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCN(c3cc(NC4CC4)ncn3)C2)C1 1845008442 LMIHMKAGIIDRFD-MRXNPFEDSA-N 452.515 0.559 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C1 1845247996 MEAOFEWXUCWFLY-QYZOEREBSA-N 476.574 0.600 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846194999 PWDOLMGRZPHRGS-MRXNPFEDSA-N 457.487 0.466 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1CC(=O)C1)C2 1846366122 RZIPEHOMWPKKCX-KRWDZBQOSA-N 478.546 0.974 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1C1CCN(C)CC1 507085759 FQUJFWZLCBOQLZ-UHFFFAOYSA-N 458.559 0.890 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)c1 518724076 GGGRDOHOOUPOTM-UHFFFAOYSA-N 482.606 0.937 30 20 JCED C=CCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 520926127 ORJKSIYCSRQOSH-KVSKMBFKSA-N 458.544 0.774 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 522284476 RAZWESPZVQIDKU-UHFFFAOYSA-N 475.567 1.000 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1 590997349 IIPVLNGETIBWFR-UHFFFAOYSA-N 454.552 0.205 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(=O)N(C)C 604472838 GYIXLGRIJAWTJN-UHFFFAOYSA-N 486.594 0.441 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828346 QRZUQVYORRIRNH-UHFFFAOYSA-N 499.552 0.812 30 20 JCED CCN(CCCN1C(=O)[C@H](CC(=O)NC)S/C1=N/CCc1ccccn1)S(C)(=O)=O 726110670 CUQDECFBWXFSSL-QKDOTCOFSA-N 455.606 0.732 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)CC1 728534525 OJKUEADGDSLYBP-UHFFFAOYSA-N 496.589 0.875 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCS(C)(=O)=O 729671156 JIYMPCNPQDHRTF-UHFFFAOYSA-N 460.002 0.697 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCS(C)(=O)=O 729672750 GSJNERQOWPMVBL-UHFFFAOYSA-N 477.608 0.771 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2ccccn2)c1=O 729674845 OXVGDCDCOBCUOZ-UHFFFAOYSA-N 457.508 0.874 30 20 JCED C[C@](C#N)(NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C1CC1 748125458 GMKQAYXAFHUUAF-URLQWDBASA-N 455.920 0.816 30 20 JCED C[C@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C1CC1 1360728609 OTCVVLJSDWPGHY-XLIONFOSSA-N 452.581 0.902 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1516810263 VIADRGYVEXENPP-MRXNPFEDSA-N 482.588 0.359 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539804258 UJAYESFTARHTGX-CVEARBPZSA-N 459.016 0.969 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1547782702 TWHPNGNLTJRBIP-FQELHTAISA-N 460.560 0.875 30 20 JCED Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)N2CCSCC2)cn1 1554328792 LFVBHWURZFBAIS-UHFFFAOYSA-N 450.594 0.797 30 20 JCED Cc1c(C#N)c(=O)n(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c(=O)n1C 1652134336 PMEVLJQRULBVHT-UHFFFAOYSA-N 459.528 0.218 30 20 JCED N#C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCO1 1661041905 LHTLXERZLBQMKB-LBPRGKRZSA-N 452.917 0.255 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705755700 XBPAWQGRONAGJP-CABCVRRESA-N 458.972 0.565 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1706622210 MRENWLQBIUYOPL-NRFANRHFSA-N 471.654 0.866 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C 1741133803 UOUQKKRGEYJRBV-MJSDIWTKSA-N 460.626 0.754 30 20 JCED CO[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C1CC1 1768081363 WBGNYAIOEAMVPB-YJBOKZPZSA-N 474.591 0.907 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)ccc1Br 1779876167 FMJFGFVIMKSELW-NRFANRHFSA-N 499.325 0.967 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C3)C2)CCC1 1780199930 BKHONDQRKQQZAF-QFIPXVFZSA-N 452.471 0.816 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N2CCN(C)CC2)C1 1780641521 YRUFFWNHWMZWRN-YOSAUDMPSA-N 464.607 0.646 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781114647 KOAZDCPFKFIMSA-GGUMNFRJSA-N 495.573 0.554 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1781270538 HMLGKRAJXSFMAN-KOSHJBKYSA-N 497.589 0.990 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)ccc1F 1781298781 UZBGQKQIIYMZHN-JOCHJYFZSA-N 487.513 0.535 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)no1 1781964118 TWCVTGPHQIWRLM-QFIPXVFZSA-N 455.446 0.867 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782732422 SDYYBLZRISVAOM-XMMPIXPASA-N 456.543 0.723 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)[C@H]2C1 1783847807 KMBUJKAYCVUBGS-WQLZPPOKSA-N 487.597 0.719 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1784309849 BTSBJCJGNBZECS-YIGJPRQDSA-N 489.573 0.714 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1 1784414071 DMGFYMFVPSYGJK-NXOAAHMSSA-N 450.536 0.019 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@H]4NC(=O)NC4=O)[C@H]3C2)c1 1785154545 MZIPFKLCPKKUBJ-FLTXXLLZSA-N 453.499 0.505 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccs3)[C@H]2C1 1785336056 BKZDVYXFMJZOKT-ULQDDVLXSA-N 463.556 0.967 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1785576641 LJBXFIYAEAYESM-VGOFRKELSA-N 460.535 0.415 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1785577087 PGCWUGNORYGXTF-IERDGZPVSA-N 471.576 0.168 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1786570157 ZZUNJYKEOOZIBX-TXTZMMAHSA-N 464.563 0.714 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccc(Cl)cc4)C[C@@H]32)CC1 1788244996 WAAKOEURDLUHGF-PMVMPFDFSA-N 487.000 0.835 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1788564572 PFYNXKLSLJHEEE-UJNZZBMASA-N 467.530 0.735 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788661181 FHQXTCLAAUEOSE-GOBHGKEPSA-N 452.552 0.800 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1C 1794588158 PYDIOSVVLJKDCD-CLWJZODNSA-N 472.542 0.505 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1)c1ccccc1 1796109260 VLOLQRCNJVZFGP-BMQTXXJKSA-N 475.509 0.213 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N(C)C(C)=O 1796450686 LSACSXXPLNAUMJ-UJCHZGTJSA-N 466.579 0.912 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)C1 1797840368 MLQPOBSXYUAZQT-NUBYAOTGSA-N 490.557 0.924 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(S(C)(=O)=O)ccc1F 1799858091 RQVQHSUZKLQASB-ZTENYAIWSA-N 452.504 0.471 30 20 JCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)nc2nccn12 1799988790 VYFQUUXNXVDDPD-TUFSQHOOSA-N 456.503 0.770 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c[nH]c3ncc(Br)cc13)C2 1800774852 PVIDWFSLWJPZBR-DBWKPXFBSA-N 475.299 0.546 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NNC(=O)C2)C3)N(C(=O)OC(C)(C)C)C1 1801102606 SRTBCOMHEILJET-KPEUIFRASA-N 461.519 0.018 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cccc(=O)n2O)[C@H]1c1cccnc1 1804946632 YTVKLDVDYOVCSM-XCWBYQPUSA-N 451.483 0.659 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1807688287 XERDIVHVVUECAM-OEMYIYORSA-N 486.525 0.546 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1808439338 MDQODRAKQDWECB-OXQOHEQNSA-N 479.497 0.642 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CC[C@@H](N)C(N)=O)C2)CC1 1809826343 STXAIHGTACOQBV-MSOLQXFVSA-N 477.606 0.727 30 20 JCED C#CC(=O)NC[C@H]1CCN(C(=O)c2ncn3nc(N4CCOCC4)ccc23)[C@@H]1c1cccnc1 1812527087 XFWCESRJZHEYTB-WZONZLPQSA-N 459.510 0.914 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)cnc2c1 1812877493 MHPGYJGXBHBMKI-HTAPYJJXSA-N 459.462 0.806 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1819777131 RFEOGERSEFWJQV-GSKBCXBYSA-N 450.565 0.177 30 20 JCED C[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1822384886 JBQSAAVXZCSCFT-AYRXBEOTSA-N 480.616 0.900 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cncnc1)CCN2C(=O)OCc1ccccc1 1828725537 IJVPBUOIGGUQIP-XMMPIXPASA-N 477.477 0.630 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990387 OLUWGCVCHMMYPB-LVXARBLLSA-N 497.596 0.835 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1830425930 QCASVPUVEPVLOY-RUZDIDTESA-N 482.537 0.527 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1830573611 MQXXDGJWCPIJMD-WZONZLPQSA-N 467.563 0.522 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)CC2)ncn1 1830957222 FRAIYNVQZSENQA-QFIPXVFZSA-N 458.519 0.072 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2)c1cccs1 1831017544 IYIHWGAECQXGRE-SHTLVRLNSA-N 463.512 0.396 30 20 JCED CC(C)(C)OC(=O)NCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)CCOCC1 1831109387 CSDLDQWIPHWWPB-HSZRJFAPSA-N 480.562 0.678 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1831388484 YWXZJAKJHWZQNU-MBSDFSHPSA-N 453.499 0.376 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1831391901 GVNHAZOSJGHMCI-BXKMTCNYSA-N 468.510 0.042 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831448781 FVYCWIQMXIDOGC-JOCHJYFZSA-N 477.539 0.300 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1831488335 WORMYHSDLZHOKE-GCJKJVERSA-N 462.572 0.991 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832005197 WGNZOPPEDKWHNM-JPYJTQIMSA-N 499.630 0.998 30 20 JCED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CCC1=O 1832370275 IJRKHMWHSIVHHS-HSZRJFAPSA-N 472.929 0.756 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832878156 WPKSJOLUWQCECL-JTSKRJEESA-N 463.535 0.392 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(C)cn1)CCO2 1832987953 WAMBDDFALCLJHY-QZOBCFMQSA-N 456.543 0.637 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)COCCOCCOCCOC)CC2)CC1 1833477006 QODQCHLNMVAYAX-OAQYLSRUSA-N 499.649 0.845 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c(C)c3F)CCO2)C1 1833676194 KNDFASSKBSISFK-HJPURHCSSA-N 493.536 0.844 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1833714137 ZVEBPRIICNSNFH-LFVJCYFKSA-N 493.630 0.001 30 20 JCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834518816 NMIRUBPZLYQBLB-UHFFFAOYSA-N 474.565 0.863 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C2)C1 1834766146 ZQEXKRRAZPUUJY-UUOWRZLLSA-N 483.573 0.637 30 20 JCED CCN1CCN(c2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)cc2)CC1 1834767967 UPEBHWFHPVURKP-XMMPIXPASA-N 455.559 0.812 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)c1ccc(O)cc1 1835312466 ZKMSYKCXDFNGFF-PIBDYAPNSA-N 469.538 0.624 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1835473779 ATHKUXJYBOBKON-KRWDZBQOSA-N 476.574 0.903 30 20 JCED COc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835674843 GJTIBDBZDMYRRK-DEOSSOPVSA-N 473.574 0.761 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1835679904 CAESYULJILISLH-DEOSSOPVSA-N 489.548 0.893 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 1836858053 CAIHJLYPACSFTA-GOSISDBHSA-N 456.543 0.848 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836895658 KPIIMNFFFDBXKX-DEOSSOPVSA-N 476.493 0.750 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837094733 ZYBRYOISTLIVIH-MBIGCVILSA-N 461.519 0.428 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1837394997 NIVNAUHKYAOMBZ-JPYJTQIMSA-N 460.531 0.683 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1837395011 NQWOLBJRIMTKOM-XXBNENTESA-N 495.598 0.269 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1837444305 XAYRQEJPZDKERM-ABBHQSEISA-N 454.531 0.876 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837757366 UNIDLHBSUCFSQW-RZZUAFPKSA-N 474.562 0.467 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5c(c4)CCNCC5)C3)C2)c1 1838740070 FMAIQEKULCBDBN-XMMPIXPASA-N 464.526 0.353 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)c(C#N)c1 1839131962 KMXLWBWSTWXDDE-NOZRDPDXSA-N 479.537 0.661 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839216696 JYIFTQDLRAMJAO-FDDCHVKYSA-N 456.499 0.014 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)cc1 1839361992 RREZSRUEAVOYPX-NZQKXSOJSA-N 469.567 0.849 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839568650 DTIIFBXKQCVHKN-IYZQMXKPSA-N 453.499 0.263 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839633621 MZBQEUBHQMUYCK-FURZLZPVSA-N 481.553 0.067 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1839650937 BMWODOSXBGRYLM-QBRPEMMGSA-N 477.518 0.100 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1839873933 NBRGQZLEOGKLKJ-WLENULPWSA-N 482.578 0.437 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1839887465 DEWBPQDOXUVYKK-JCGVRSQUSA-N 460.503 0.457 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840771774 OJXINFXMTBUQKC-RXFWQSSRSA-N 497.548 0.759 30 20 JCED Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc([C@@H](C)C#N)c4)C3)C2)c(=O)nc1O 1840808761 LWRKFICEJVUVIV-SSOJOUAXSA-N 495.536 0.655 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812561 XHLIQTQNSLZNDS-HOYKHHGWSA-N 492.573 0.773 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1845254828 MVTXFAAGCFQXRL-AWEZNQCLSA-N 475.571 0.846 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1847068756 FSKPHMJVJQBSOP-HZPDHXFCSA-N 455.577 0.787 30 20 JCED C=CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccccc2S(=O)(=O)N2CCOCC2)c1=O 500491883 OMLOLMUBDTZRKT-UHFFFAOYSA-N 487.603 0.845 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 515942264 ANCIXVJZQYXZJF-UHFFFAOYSA-N 481.538 0.711 30 20 JCED COCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 518711125 SLPIXHFOIFXRCA-UHFFFAOYSA-N 480.568 0.652 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCNS(C)(=O)=O 589160714 MCWRRTTVKORXTH-UHFFFAOYSA-N 471.963 0.980 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCCC(=O)OC 603995139 WUYXYDVTQYYQTK-UHFFFAOYSA-N 471.535 0.064 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccc2c(c1)OCCO2 608855482 OAGXPNTUBLZINP-UHFFFAOYSA-N 492.557 0.584 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 725764384 RYELVDYDCRLXLD-UHFFFAOYSA-N 488.610 0.373 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)cc1F 726584296 QFBMZJROYDAFHT-UHFFFAOYSA-N 469.498 0.142 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 727417356 CICTYDZZRUBOLO-UHFFFAOYSA-N 466.519 0.637 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 728535625 AZTHOVNYKSDPTL-UHFFFAOYSA-N 472.611 0.470 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CCS(C)(=O)=O 729671000 FKPJLZMXHZJDIK-UHFFFAOYSA-N 498.424 0.745 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)cc1 856434291 ZGPRMVVYTGMAKX-HNNXBMFYSA-N 453.517 0.997 30 20 JCED CNS(=O)(=O)c1ccc(C(C)=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 916332482 XYHHKSMJZRODKT-UHFFFAOYSA-N 466.589 0.762 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)c1 916774590 UTURXFBBEHFQFT-UHFFFAOYSA-N 452.514 0.256 30 20 JCED C[C@@H](NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)C 918911361 SYHXNGOTXVNSAG-CQSZACIVSA-N 450.517 0.095 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1141772927 PDWLYUJZIXDFIP-GOEBONIOSA-N 454.574 0.545 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286629073 JFGDJOJQWRPNLD-CYBMUJFWSA-N 452.002 0.841 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCC[C@@H](O)C1 1288863236 OSPVNCHMVQOVOK-BURFUSLBSA-N 451.597 0.616 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCS(=O)(=O)N2CCSCC2)cc1 1316533617 XINOHZAQRURAME-UHFFFAOYSA-N 478.600 0.944 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1517626577 LNLXOCDZUWVNEX-GOSISDBHSA-N 457.560 0.957 30 20 JCED CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1615956353 JOMBBAFERKYDEB-UHFFFAOYSA-N 472.575 0.704 30 20 JCED CCS(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@H](C)C1 1643004424 LXYDETFCIRLRTQ-XLIONFOSSA-N 451.568 0.890 30 20 JCED COc1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1C#N 1675543727 CMGKFFXYLYEILF-UHFFFAOYSA-N 458.544 0.913 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CCO1 1706049731 VATLFIAZFGHKIA-UWJYYQICSA-N 453.547 0.879 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1-n1cccn1 1723953231 CIGKSSIPNNYKQN-WBVHZDCISA-N 456.532 0.851 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1723961142 VUFJVYGTNROHFN-SXLOBPIMSA-N 489.602 0.518 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2ccnn2)CC1 1731019576 YDBZXNPDHAJYPR-UHFFFAOYSA-N 455.548 0.874 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1761437957 VZYHCTZTDRGEKR-HLIPFELVSA-N 485.586 0.021 30 20 JCED CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)NC)c2ccccc2c1=O 1765578691 IGNVCOPZCAOVCO-CQSZACIVSA-N 458.548 0.820 30 20 JCED N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCS(=O)(=O)N2CCSCC2)cc1 1771533569 PSFAURSABDEPOD-UHFFFAOYSA-N 480.641 0.764 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778055197 MAPMRDJZGIXEIE-BXKMTCNYSA-N 480.525 0.587 30 20 JCED O=C1COc2ccc(C(=O)N3CC[C@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)cc2N1 1778574546 JNZFBKNZROIZFH-JHBFLWBLSA-N 472.498 0.990 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C3)c1 1780089147 NEQPJBIYVPKXMC-YCRNBWNJSA-N 457.531 0.287 30 20 JCED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1780539405 NLEREIBZJOBKIC-MZNJEOGPSA-N 486.594 0.769 30 20 JCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1)C(F)(F)F 1780938111 KJIDCQIAWXZAAB-SFHVURJKSA-N 458.462 0.840 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1781852467 BIAWGWVEAAYRQW-AUSIDOKSSA-N 458.515 0.774 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783247882 GWGDKEFQIZNUFQ-VTJXTGGHSA-N 469.629 0.934 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3cc(C(F)(F)F)ccc3n1)CCO2 1783564480 KJZOXYYTVHMHMP-IBGZPJMESA-N 450.373 0.885 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)[C@H]2OCC[C@H]21 1783662078 RWBPDRFKURLDMQ-RFVJQGCGSA-N 491.541 0.319 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](CC)NC(N)=O)CCO2)C1 1783766267 IMPPPEFFFAJPTE-XCGNWRKASA-N 467.567 0.733 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CNC(=S)NCC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784094575 ZRTLBZIJNCQIHI-SBUREZEXSA-N 495.646 0.866 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1784186239 LYFOSRFIUITZPL-DUQPUGLHSA-N 490.557 0.601 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1785179066 VYPUPAUWDJBNIR-DYRFGFBLSA-N 458.471 0.905 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2)NC(=O)OC(C)(C)C 1785304231 AEBKBPYMXVPZHY-JTSKRJEESA-N 462.551 0.968 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncnn3C)[C@H]2C1 1785854891 HDAPCMUGLLKTPC-QAETUUGQSA-N 460.535 0.325 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C)nc3OC)[C@H]2C1 1785866298 AQIGBQYIDAHEPV-CAMMJAKZSA-N 489.573 0.939 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1788639181 IBNGUJIBAIPOAL-RUZYHRDJSA-N 455.508 0.262 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2C1 1789270410 UHTXYKVOTFUMOS-QBWPOKONSA-N 464.906 0.869 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]32)c1 1790228440 RDVUKAGJGUYMHW-NOLJZWGESA-N 456.396 0.969 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1791261349 RIMFJXXKOHRYMH-OVWQWFNUSA-N 461.588 0.320 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]32)c1 1791988684 FBNCPERVGFKUNI-QZHFEQFPSA-N 456.499 0.450 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C[C@@H]21 1792256836 MUHNSTUNXNEFMC-OYSTVDSJSA-N 476.574 0.504 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)nn(-c3ccccc3)c1O)C2 1792484575 PERCZYQNWCXQFV-RKHDGKPRSA-N 479.537 0.948 30 20 JCED COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792558918 IOFNMKAGIIIAGJ-BRTYFSMRSA-N 489.569 0.387 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1793313578 XOPZEUUSQGEXQX-LJGDNWOOSA-N 468.963 0.743 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794013603 IVBGOTVEJGWIIW-QKPAOTATSA-N 461.519 0.093 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794111058 CHMYBQMFARNYNM-BKEDOTJMSA-N 474.514 0.092 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)[C@@H]2C1 1795600744 HADOUQHQFXQMRT-YFWYZSEYSA-N 489.617 0.971 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1795895827 YHPQWRNNRINCRJ-KYTFUPDFSA-N 490.557 0.658 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C2 1797708457 ZTPGNLHRZFOFRK-NZGUISNBSA-N 464.584 0.795 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Cn1cncn1 1797894249 HKDSJSPAXIPRLH-UJWQCDCRSA-N 476.578 0.973 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798415021 WXQOGSPCWNRBSA-ZSBFGKGUSA-N 460.512 0.469 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2c[nH]c(=O)cn2)c(C(F)(F)F)n1 1798633885 JFLKDRNMHJOZRP-CULMDFNYSA-N 462.388 0.572 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)N1CCN(C)CC1 1799186259 XEWLMARJFUZFRP-JWVYWZTKSA-N 465.558 0.274 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2)C(C)(C)S 1800907597 BVOAPHZEKFKLIV-KOWPAETKSA-N 471.620 0.949 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C2 1800990077 XJWUJPAKARNYNG-ZUMXRPEOSA-N 476.020 0.916 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1802124884 MGUAOQLTDHOULP-UYTYNIKBSA-N 485.603 0.173 30 20 JCED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1803449928 GKUXDICQZPBSMG-HRAATJIYSA-N 453.524 0.966 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1808449034 BIOVTMPMJYJWDD-XUZZJYLKSA-N 485.585 0.761 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)CC1 1809600819 JDVNYYGOTHLUJL-RBBKRZOGSA-N 455.607 0.617 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)c1 1811795201 KJFAZNOTKFKMKN-ICSRJNTNSA-N 457.427 0.998 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CNCP(=O)(O)O)[C@@H]3c3cccnc3)c2c1 1812069744 KKPXOUYOOSYZPM-HRAATJIYSA-N 497.452 0.874 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1819900613 NEZUDOWJCRQNHA-LTUJHRDXSA-N 475.527 0.899 30 20 JCED CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(CC#N)cc3)sc2C1)C(=O)C(=O)O 1823499236 ZELPBSAAJGBYSM-CQSZACIVSA-N 455.496 0.978 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828593292 AQEKPXOHBSWFGJ-OUDXUNEISA-N 498.580 0.988 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 1829334782 NPQRGHPLIHLKSM-CPJSRVTESA-N 483.521 0.953 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1829349134 FDCYLZJAEDMFGV-XMMPIXPASA-N 469.542 0.910 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1831388175 UYXMOUDUOINJJB-ZHRRBRCNSA-N 462.503 0.271 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2)NC(=O)OC(C)(C)C 1831614175 GCBYIHPHOATUJW-HOOSLVGPSA-N 496.605 0.814 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1831999955 FCRQSWAEBVEYDX-XFAGBWLFSA-N 494.589 0.533 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1833074849 GHQGDCNRSOPPHS-VFSSLDKASA-N 490.630 0.219 30 20 JCED COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1F 1833485162 ZVKPCTBHBGHVAH-IQCWKEAXSA-N 480.493 0.828 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)C1 1834401835 MSURZWBSJOEVDD-HSZRJFAPSA-N 463.579 0.844 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c(C(F)(F)F)n1 1835395292 HUIYCSZUIGXQSQ-OAQYLSRUSA-N 497.474 0.374 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1835496204 RMTITTYMICHVNE-XMMPIXPASA-N 494.564 0.995 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1835675326 NSAIFPFNTSSPRB-OAQYLSRUSA-N 451.474 0.712 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1835677171 KMSUDRDADCSPNG-QHCPKHFHSA-N 454.531 0.686 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1835677260 DFEHAPAZQJCGAL-DEOSSOPVSA-N 466.542 0.982 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835866695 NPJREUFDXAHLQN-UHFFFAOYSA-N 460.539 0.785 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835867245 SQTRJCZYSNUQOQ-ARJAWSKDSA-N 459.507 0.362 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cnccc3[nH]1)CCO2 1837097803 JJUGXVZWHGRMID-XXGSHBOYSA-N 453.499 0.491 30 20 JCED O=C(NCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)c1ccc[nH]1 1837524630 KVRLDZMTMTVIEM-BTRVLGORSA-N 491.545 0.120 30 20 JCED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c(O)n1 1837531676 SUHGGVOVYSIMHQ-ICILYHDOSA-N 462.503 0.695 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1838493072 VLDSQGRQDYZSRJ-JOCHJYFZSA-N 452.471 0.814 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838508803 CJBAQSXHWYKXDF-VBKZILBWSA-N 462.532 0.957 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)ccn2C)CCO3)c(O)n1 1838529896 NNFFSHARENVBKS-RUZDIDTESA-N 482.537 0.988 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccc(C)n4)C3)C2)c1 1838579335 JHIQFLSCKCMESF-HSZRJFAPSA-N 453.499 0.842 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc(Cl)c3OC)CCO2)C1 1838724237 OLDYERAVPICPRU-VFNWGFHPSA-N 451.907 0.852 30 20 JCED COc1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)ccn1 1838732219 HDFKNMIMQRWGOX-QHCPKHFHSA-N 453.499 0.993 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1C 1838833958 AODMNPPOVRLESE-WCNTUGILSA-N 465.507 0.028 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1839130556 HDBNEKMCTZPXLQ-UZUQRXQVSA-N 491.545 0.836 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H](C(=O)OC)C3)C2)C1 1839173360 LMMVGYAQHIPYRK-PMAPCBKXSA-N 466.531 0.542 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n1 1839224915 RSAIUSWJDVNVHQ-UWJYYQICSA-N 451.524 0.400 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1)c1ccccc1F 1839233601 HMXMABGSAQCUGL-ITEAAPOESA-N 467.563 0.952 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839274487 BHIKNWILALAVDE-QFIPXVFZSA-N 477.470 0.880 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c([N+](=O)[O-])c1 1839462083 BZWCAFPVWMRZBH-HSZRJFAPSA-N 471.466 0.865 30 20 JCED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486262 QCTPYWOUWXRZRR-AUSIDOKSSA-N 455.515 0.912 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044954 JPNGUKQJFVXTIX-NXMSCROESA-N 493.557 0.614 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1840175932 NOXXHJXPHBEGTN-XTJBDQBJSA-N 487.553 0.791 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1840204647 MAJIHYCHXXTLGO-HXUWFJFHSA-N 484.431 0.315 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1)c1ccc(O)cc1 1840219593 TWTWWWQWNITLPF-FNZWTVRRSA-N 496.564 0.954 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)NC=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251724 VFPZPBTZKTWCMH-STSQHVNTSA-N 480.562 0.143 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840289944 RGRHRHRCUDFQHJ-AOMKIAJQSA-N 464.519 0.673 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)COc2cccnn2)CCO3)cc1 1840406543 DCXSYSZUJDXCDV-DEOSSOPVSA-N 465.510 0.816 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840879986 RGWVVBALKSXIEI-AJSYOGKFSA-N 460.483 0.311 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)[C@@H](C)CC)C2)C1 1840908467 BSSUTVIBHIMIJQ-GSRZOBFVSA-N 480.606 0.733 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1840912145 ASIFWVJMQMVOCR-OIDISNMWSA-N 467.563 0.683 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1841431236 ZXJCUIRZTCFJPW-QIWJOQEQSA-N 451.568 0.937 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C1 1844166144 IZPHWAPEFRIVOH-ROUUACIJSA-N 492.621 0.775 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1846330825 HIPNBDRLGNVLEW-SJORKVTESA-N 485.603 0.556 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c(O)nc(NC(=O)C(C)C)nc21 1847804443 IRERRZIUZBXRGM-PMPSAXMXSA-N 483.529 0.367 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 476139523 HEQFNHHPIQAAEF-UHFFFAOYSA-N 457.512 0.757 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2CC)CC1 480158899 ZFHSNOOJGXKGQY-UHFFFAOYSA-N 486.594 0.623 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)s3)c(=O)n2CCCC(=O)OC)CC1 501772890 XIPNXYJSUSAURJ-UHFFFAOYSA-N 488.635 0.900 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1OC 522537120 VTFOKTUHAHGAPX-UHFFFAOYSA-N 490.541 0.797 30 20 JCED C=CCN(C(=O)CSCC(=O)N(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 533811260 ACGNJSLJYXROPU-IYBDPMFKSA-N 464.631 0.123 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 602253121 PSDQPHIVFSEUAQ-UHFFFAOYSA-N 462.459 0.179 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCc3ccccc3)c2)c(=O)n1CC(N)=O 608911833 RXDCYJRBFJHKSL-UHFFFAOYSA-N 474.542 0.779 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(C(N)=O)cc1 609351063 GVSPPVZGQUWVKH-UHFFFAOYSA-N 498.511 0.932 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCCOCC)sc(=Cc3cnn(C)c3)c2=O)c1 726581208 PDCGBBAUYNWQGD-UHFFFAOYSA-N 461.547 0.660 30 20 JCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 748669597 NDRUERHEUCLABQ-QGZVFWFLSA-N 480.550 0.921 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(NC(N)=O)c2)CC1 749402082 DWXUQEVSLWXGIN-UHFFFAOYSA-N 471.495 0.739 30 20 JCED N#Cc1cccc(CS(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 750415698 UQIMVOALLUJAHO-UHFFFAOYSA-N 467.500 0.978 30 20 JCED Cc1cc(C)n(CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 878477191 WQIINNAKFNXVQY-UHFFFAOYSA-N 459.528 0.838 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 887566708 XXNQOOLXJPHQRZ-ZDUSSCGKSA-N 465.532 0.700 30 20 JCED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn(C)c3)c2=O)c1 913151802 XOBXIASOWZPLJL-UHFFFAOYSA-N 450.524 0.619 30 20 JCED Cn1c(=O)c2cc(C(=O)NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cnc2n(C)c1=O 916180620 UUDFZWVMASCOKC-UHFFFAOYSA-N 467.385 0.641 30 20 JCED COCCn1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)c1C 917355345 HHKVWGYMURLLIV-UHFFFAOYSA-N 472.611 0.992 30 20 JCED C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(c3ccc(C#N)cn3)CC2)C1=O 918729337 HJVOTQSEDIMYSP-QFIPXVFZSA-N 468.539 0.903 30 20 JCED CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)N2CCSCC2)CCOC1 1296527093 NIFXWURJYJVYIA-QFBILLFUSA-N 472.637 0.905 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CC1 1502426705 KOYKQEXZQNDRMG-UHFFFAOYSA-N 452.563 0.990 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)n1 1511713724 YDYBJCYMGRRVSH-GOSISDBHSA-N 461.596 0.208 30 20 JCED Cn1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)n1 1517386636 SFXRLOGMSPTKQH-YJBOKZPZSA-N 452.516 0.029 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1696632643 METJSSMJEBOJCW-KRWDZBQOSA-N 472.575 0.319 30 20 JCED COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1=O 1712472023 QGDADQDLPGSAHT-HKUYNNGSSA-N 481.557 0.891 30 20 JCED CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1729066812 MFBAXPZBQUHNRV-OAQYLSRUSA-N 478.550 0.702 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 1740738693 JZYXYBWOPRFHSA-GFCCVEGCSA-N 476.401 0.791 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1740823145 YLSSBZPYIBEEDV-MPGHIAIKSA-N 461.972 0.748 30 20 JCED CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1748268508 XBTBYPPJXZGYLG-CQSZACIVSA-N 495.009 0.876 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCCS2)C1 1750212091 YDJHBLYIKXDGMF-OAGGEKHMSA-N 456.594 0.625 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766698172 ZJJNAYOXRWUUSZ-KRWDZBQOSA-N 466.612 0.264 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778055182 YZDXATOUIMJDMV-XMMPIXPASA-N 492.540 0.296 30 20 JCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2)[C@H]1SC(=N)NC1=O 1778085627 VMZUHXGAHMBPLJ-MVZRQPAWSA-N 458.544 0.816 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CN4CCN(C(C)=O)CC4)C3)C2)c(C#N)c1 1778355374 VMSVYOQVNHXDCV-VWLOTQADSA-N 483.569 0.103 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C3)C2)c(O)n1 1779072607 GJSCDPWBPDEWES-RDPSFJRHSA-N 489.525 0.844 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1779336560 QYRHODXUSUYNDT-PABYOWBDSA-N 468.547 0.568 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1781263864 GWODPUZIRLDXME-ZHRRBRCNSA-N 469.535 0.211 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1781383841 QYGULWUUBLDRCO-OFNKIYASSA-N 487.594 0.704 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)C(F)(F)F)C1 1782235103 BCOOKQROVKKAOQ-AUUYWEPGSA-N 461.485 0.461 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)(n2ccnc2)C1 1782861996 NSIISKDORFWCJG-XZOQPEGZSA-N 472.546 0.963 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782954412 UKMBTSKRKLDFBR-PNLZDCPESA-N 485.603 0.863 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)C2 1783269394 UALWUWMGPMVNFI-FGDDKPPBSA-N 494.589 0.480 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783443724 BKBRPQOLAGHWJX-UFYCRDLUSA-N 457.600 0.955 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]3C2)c(O)n1 1783673672 LZDZQWBLUOFHQQ-SNRMKQJTSA-N 459.547 0.770 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3C2)c1 1785154548 MZIPFKLCPKKUBJ-RUZYHRDJSA-N 453.499 0.505 30 20 JCED O=C(CCNC(=O)c1ccc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1785249201 MMXNSISSQFTLAU-AECWZUDPSA-N 475.546 0.643 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)Cc4nnn(CC)c43)[C@H]2C1 1785328164 LMTPTIZXYKKENS-BMFAXAFESA-N 486.573 0.745 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1785577534 YUJZCHODVZEUFH-QQMNAOGKSA-N 462.547 0.354 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)no1 1788600817 BAOPQIOSOHLLFA-SSDCLXLFSA-N 460.535 0.164 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)no1 1788669692 JHLSGCMICGAMGU-IOBXQYEZSA-N 477.518 0.222 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)C[C@@H]32)c(Cl)c1 1790229481 PPEOBTKHVNNULD-QRTARXTBSA-N 459.890 0.357 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC(F)(F)C1 1791076499 HZEYEEOCNASEOU-QAETUUGQSA-N 499.511 0.946 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncnn3C)C[C@@H]21 1792261975 URMXAYJOBDZSNB-NXOAAHMSSA-N 460.535 0.325 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2 1792489039 AMAWGYIGGSVYAC-BMFJARKSSA-N 482.581 0.335 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4c(O)nnc4O)cc2)C3)cc1 1792559029 KDVKLTMZNOUICA-HATOLVCRSA-N 488.504 0.996 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(C)(=O)=O)c1 1792697192 AGWIMATWHNXVPM-UKBAYJJMSA-N 450.557 0.866 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)C4(CCOCC4)c4ccccc42)C3)CC1 1795411324 FYZXLJOGLVRQCZ-OPMZPASUSA-N 478.549 0.975 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccncc3)[nH]n1)C2 1795599138 WFHIZQDLLHLOLO-XEMDLRDOSA-N 451.531 0.957 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)CCOC1 1795600107 SZIVPNFQYSBMGJ-NDBKNAECSA-N 493.605 0.542 30 20 JCED COc1c(Br)cccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1799511080 VNCSXUAVOSFFIM-DPIQGUFMSA-N 451.273 0.749 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2 1800024179 NRRDZJPGMSTVNA-CWQOZTLDSA-N 489.573 0.920 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2)C(C)(C)S 1800907577 BBKCQDZILGZHPA-AEKWLRTRSA-N 484.619 0.456 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(F)CN(C(=O)OC(C)(C)C)C1 1802197552 CRVNMLYEMDIIPK-WCXIOVBPSA-N 453.511 0.573 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1802477625 QPQVMTOZOGCZGE-CWZDDEHYSA-N 467.486 0.751 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1803564894 KYCCOMMSBZVJAX-SYNHAJSKSA-N 452.515 0.932 30 20 JCED O=C(NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807943528 WUDDYELLEKAUFI-XMSQKQJNSA-N 468.477 0.579 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)[C@@H]1c1cccnc1 1808393030 KRZBKIWQXWLZQO-BBJHCUSOSA-N 484.582 0.748 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1808879090 XHRNUCNRCHVUCN-VBKZILBWSA-N 453.411 0.801 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810357767 OZSXIZOVSIPGTB-JHMXWDHMSA-N 479.537 0.689 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[C@H]1c1cccnc1 1812877715 PZPLCWTVCQXPBS-QRWLVFNGSA-N 485.460 0.373 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812880656 RYNZSFDTDQMZFY-SVFWZWDPSA-N 450.451 0.946 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)NC(=O)OCC)CC2 1822928056 PUOAGLLNQJYCCX-PIGZYNQJSA-N 454.505 0.629 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827987851 GYPWVGOJJNOYAB-FWWRYZNZSA-N 472.527 0.184 30 20 JCED N=C(N)SCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828946114 BKWJBNILMDMDCK-JOCHJYFZSA-N 487.538 0.153 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNCP(=O)(O)O)C2)C1 1829352430 HMDYAZIJJGSNJG-QFIPXVFZSA-N 494.485 0.739 30 20 JCED O=C1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CN1 1829952474 OROYYVNYPFOIDR-LUYYVEIPSA-N 461.540 0.470 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1831386256 DMGDVLKMTGIFST-VFNWGFHPSA-N 461.544 0.136 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)C[C@H]3C=C)C2)C1 1831402619 MOZAAZQHRRVCKQ-NUQURWJTSA-N 491.585 0.951 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1831420581 YKUUSNXONOMHAW-YCRPNKLZSA-N 463.560 0.689 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1831999145 XHPPDQAQGVNFJE-QZMQVMSPSA-N 480.562 0.191 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832751318 RDZTUFWOBVFWJZ-QYWGDWMGSA-N 467.613 0.871 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cn[nH]c4)CCO3)C2)c1 1832944520 KQHULAQTHURLBC-HSZRJFAPSA-N 453.499 0.993 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833025669 FBRDVCXWGKCOPT-VLVQHTJOSA-N 490.557 0.022 30 20 JCED NC(=O)c1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1833309527 IRFBLEOSHSIZAL-NFOSPISASA-N 484.534 0.751 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)nc3)CCO2)C1 1833818190 JAAMYDUECJUMIF-DVECYGJZSA-N 487.557 0.772 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)on3)CCO2)C1 1834350385 OLWJKLRVJQPVBO-UZUQRXQVSA-N 476.530 0.970 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 1834519074 KZFSYTNNAXRKEX-JOCHJYFZSA-N 456.543 0.674 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CS(C)(=O)=O)CC3)CC2)c1 1834570479 QBFZQTPCCACJOD-UHFFFAOYSA-N 462.572 0.797 30 20 JCED CN(C)c1cccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835675334 NXLVSFRWBHQUKG-VWLOTQADSA-N 487.601 0.870 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835974021 WZWGUAQGQCVMEY-JOCHJYFZSA-N 464.950 0.692 30 20 JCED Cc1c(C(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CC4)CC3)CC2)cn2[nH]cnc(=O)c12 1836090261 RJIIBHKNGYDEBI-UHFFFAOYSA-N 451.531 0.820 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cnn5cccnc35)CCO4)c2c1 1836850268 JUOSEMICIWKRAG-DEOSSOPVSA-N 486.492 0.861 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836872060 UETUJSRPJDPPJX-YVABFXQFSA-N 452.471 0.511 30 20 JCED C[C@H](Nc1nccs1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529638 XCBMKPOOGHVWHM-IGAXTZAISA-N 481.575 0.929 30 20 JCED O=C1Cc2cccc(C(=O)N3CCOC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)c2N1 1837564863 BRAPSIFSBIMZEG-RCHKNJNJSA-N 466.494 0.963 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1ccccc1 1837616282 BZQVZRIQHJUOCO-XOEOCAAJSA-N 455.555 0.363 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1)n1cnnn1 1839424902 HOYJUYCXIZTMHV-VLIAUNLRSA-N 459.894 0.529 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)CCO2)C1 1839787529 ZKPUKUMRRNGDSQ-KSFYIVLOSA-N 463.462 0.771 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1839840505 GWAWIVSGJYLWIR-VBKZILBWSA-N 452.533 0.120 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1840071665 CRXHVYDOWIQQGL-WWLNLUSPSA-N 487.619 0.522 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1840909651 ZCDALFODSPJSND-AOMKIAJQSA-N 476.534 0.100 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1840959179 XKHBUXQSCWDWIE-JPYJTQIMSA-N 499.630 0.998 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)C1 1843821442 SZRQUDOTLRISMS-MZIIKBMYSA-N 476.574 0.666 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)COc2ccccc2C#N)C3)CC1 1843838777 NAJLJHHNMAKCBK-UHFFFAOYSA-N 460.556 0.812 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844297135 USZULYNSQOUDOV-QUCCMNQESA-N 478.590 0.537 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCCOCCNC(=O)OC(C)(C)C 1847642786 QVAQYVBRMASBIJ-QYZOEREBSA-N 467.563 0.784 30 20 JCED Cn1c(=O)c2c(ncn2CCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n(C)c1=O 16260078 NWFWTLVVAJVTLA-KRWDZBQOSA-N 453.478 0.372 30 20 JCED COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1OC 497500396 NQQAIKJIYNGNOW-UHFFFAOYSA-N 459.528 0.988 30 20 JCED CN(CC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)S(=O)(=O)c1ccc(C#N)cc1 516394016 JCZZMHZBNWDEHH-KRWDZBQOSA-N 472.523 0.620 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(F)c1 523299673 YUTFPTZTWYZLIW-UHFFFAOYSA-N 457.487 0.046 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cccc4c3OCCCO4)c2=O)cn1 523581014 NODCKPGOTSSREA-UHFFFAOYSA-N 495.561 0.542 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(CC(N)=O)c2=O)cc1OC 589156960 FTDHBUCFAQEQCR-ZDUSSCGKSA-N 473.551 0.929 30 20 JCED COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(N)=O 589157036 DXQAYTRROINPPH-UHFFFAOYSA-N 497.554 0.193 30 20 JCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CCNS(C)(=O)=O)c1=O 608912894 IPPBSJANVKWEPU-UHFFFAOYSA-N 488.616 0.971 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 731337555 SLMPKFWHJOBMAP-UHFFFAOYSA-N 481.578 0.849 30 20 JCED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916933685 IYQUOZCKVYWLNQ-INIZCTEOSA-N 456.480 0.777 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C[C@H]2C=CS(=O)(=O)C2)CC1 919019644 BLMYSXONPOUEBU-CQSZACIVSA-N 460.468 0.946 30 20 JCED COCc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1301174585 NAJXXZQVCLLUMU-RTBURBONSA-N 476.559 0.534 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1303809521 PRSSSDUWIJUMOV-AWEZNQCLSA-N 454.578 0.831 30 20 JCED CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCN1CCOC 1306405935 IHINMJMMUSFGSP-OFNKIYASSA-N 488.614 0.913 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NC2CCCCC2)C1 1316354637 GZAYIUSPAILTAF-JXFKEZNVSA-N 483.570 0.502 30 20 JCED N#Cc1ncn(CC(=O)N2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 1446534606 JFNOUVIULRAUPC-UHFFFAOYSA-N 459.351 0.897 30 20 JCED CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1541992155 XDYHVVCGGIFSSR-UHFFFAOYSA-N 450.565 0.584 30 20 JCED CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1)S(C)(=O)=O 1617788572 CSAXKSBLKLUVTH-OAQYLSRUSA-N 460.560 0.828 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1617794129 QZPVUCBXAKMBDP-SFHVURJKSA-N 472.571 0.937 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 1632832827 WLCTVVGHVDMEID-AWEZNQCLSA-N 456.590 0.934 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705755400 SXFCNCCCCWZYQQ-HNNXBMFYSA-N 490.030 0.994 30 20 JCED CCc1noc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1709171917 PQKSRPXOBYAUTM-XJKSGUPXSA-N 462.580 0.972 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1711020520 WCSAQMMREYWTKL-FQEVSTJZSA-N 473.603 0.867 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCOCC1 1741804206 YFNCBWGJMLPDER-IRXDYDNUSA-N 469.612 0.460 30 20 JCED CN(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1768481183 YQGHZCOOILOYSM-AQNXPRMDSA-N 495.650 0.850 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC(F)(F)C1 1778177103 OZXRYKUXCZJTJQ-BTYIYWSLSA-N 485.484 0.797 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2C1 1778376314 JGZHQPZZFSLFJN-HSZRJFAPSA-N 487.513 0.165 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1778968665 VOJMVOCZMCIRNV-PGRDOPGGSA-N 465.572 0.643 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1779014263 CMESPUOPIZXDAG-VYPBGABDSA-N 452.405 0.643 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779035398 VRVWVBZJXKBLNW-AOMKIAJQSA-N 483.635 0.770 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779922870 RZDIHAVTOOMKET-KSFYIVLOSA-N 459.503 0.542 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1)[C@@H]1SC(=N)NC1=O 1780179641 GWKPSUBQCBLFEH-YLNDJPJSSA-N 458.544 0.816 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1 1780347858 ZVDAOIOOZQHGOZ-WZONZLPQSA-N 461.482 0.731 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780691408 CKKOHCMPIPQGCV-WZONZLPQSA-N 458.515 0.887 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2nccn2)C1 1780824709 UIGNBMZHVWAUBU-YZZKKUAISA-N 474.562 0.709 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](N)Cc3cscn3)CCO4)c2c1 1782196224 XNRNBOAQIMAZHH-HTAPYJJXSA-N 465.539 0.905 30 20 JCED CC(=O)NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1782876516 UWPAZQDTRLZKBZ-BWKNWUBXSA-N 483.569 0.835 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1783131934 KHHZFFGUSFGWPK-WZONZLPQSA-N 467.482 0.966 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1783198406 IUZLRTYWYKSDFW-FQEVSTJZSA-N 464.506 0.724 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1783500910 UGXOQVOOULUGGN-UDLDYJPUSA-N 461.559 0.968 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783600851 AMBPAESYNYENEK-BURNTYAHSA-N 486.569 0.966 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784593303 YCQZXGRZFMYOPO-VWKPWSFCSA-N 463.539 0.533 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1 1784964722 ILGZAZVNDWMQEJ-WVIRRXHPSA-N 472.586 0.616 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccnc4C(N)=O)[C@H]3C2)c1 1785519833 FNARPWUHFYCECM-YSSFQJQWSA-N 463.494 0.968 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C)cn3)[C@H]2C1 1786202193 LYPDQRRQIBZUJK-BMFAXAFESA-N 459.547 0.930 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cc2n(n1)CCCO2 1788350833 UIMRQXBISLIRSO-DPRAIYEESA-N 461.519 0.788 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)N4CCN(C)CC4)[C@H]3C2)c1 1789798532 SYUBVXDCBNEPKJ-FUAMJQMHSA-N 469.586 0.796 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)c4cc(C)on4)C[C@@H]32)c(C#N)c1 1789841367 HJVQDTUMUQERER-XJABCFGWSA-N 495.536 0.816 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]2C1)C(F)(F)F 1790177372 QSBPUOYCDBXNJP-PWNZVWSESA-N 451.442 0.928 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5ccc(C#N)cc45)[C@H]3C2)c(=O)nc1O 1790330432 MAMCCZVPISNPOK-IEZWGBDMSA-N 491.508 0.299 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)[C@H]2C1 1790685992 BQYDSKIUYYARHP-PWIGDYEPSA-N 486.569 0.640 30 20 JCED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]3C2)n(-c2cccc(=O)n2C)n1 1791259102 PXNGEECXIRNQIS-CVYDXHPNSA-N 459.572 0.791 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]3C2)cc1 1791311329 BSMBBUNMCRQNRV-ULQDDVLXSA-N 452.433 0.759 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CN5C(=O)CSC5=S)[C@H]4C3)c2c1 1792241846 KWXAGQHTPRVERS-QRTARXTBSA-N 498.590 0.888 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC(C)=O)C[C@@H]21 1792255308 GWHDPXLFSPTFGL-KNJMJIDISA-N 478.590 0.797 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[S@@](=O)c1ccccc1)C2 1792490397 QXVOIBAPMUIDEB-LXBZJDIKSA-N 459.568 0.631 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C)c1ccc(O)cc1 1792630610 LFZSVHAJZHQUQX-CROMWVBPSA-N 456.543 0.750 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)cc1 1793009438 KCVBCMIKNXMNHA-UYZIEWPDSA-N 459.568 0.665 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1793379975 GCXXPTMZIQOACG-JJTUDDRGSA-N 459.609 0.806 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1793380926 JBIWLOYNRJMYED-CYGHRXIMSA-N 455.602 0.784 30 20 JCED O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1793861080 KAMBMGKIZMWNIB-FEQDATNQSA-N 478.505 0.974 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)[C@@H](C)CC 1795557355 SUIIHTIGWSWNMO-UESMBRTFSA-N 450.580 0.866 30 20 JCED CC(=O)Nc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)ccn1 1797782767 RQOTUUDWQTWBJE-HATOLVCRSA-N 454.527 0.942 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1797839430 GQPLYMAERFCTDX-DDNFXKSTSA-N 451.527 0.685 30 20 JCED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)nc3cccnn23)cc1 1798498180 GUHOAIVEQPCYGT-OPMZPASUSA-N 458.478 0.673 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2 1799324567 JCRXXBWCRDTDIN-KYHPRHEASA-N 468.551 0.792 30 20 JCED COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)COc3ccccc3C#N)C4)(C1)C2 1800706683 JSOFQXUJUBOICX-IQSLYQAOSA-N 453.495 0.870 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1801007656 ADADYXJHKKCGLX-ATBAPAGJSA-N 455.471 0.254 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2 1802124422 AIAFXIPCAGMJAE-KRXQYRFLSA-N 459.503 0.302 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1805662517 VHAJNCHSCGZHNU-MRXNPFEDSA-N 451.520 0.581 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807148280 WUJBCVSJLWNHKT-HFSMHLIXSA-N 492.584 0.978 30 20 JCED O=C(Cn1ccncc1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1812343383 XIECMSRPMUMIHP-OIKQIGQPSA-N 468.514 0.873 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1814215343 KEBKWVTUGSHVIF-JIWZOFCXSA-N 472.590 0.843 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)CS(C)(=O)=O)[nH]n1 1814434359 SKXJDNBAFFSEAC-AYPLEAKFSA-N 451.549 0.941 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1 1817316983 PHVYFBVUXBWZHS-INIZCTEOSA-N 455.519 0.999 30 20 JCED Cc1cn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)NCCC#N)[nH]n2)c(=O)nc1O 1823367578 RSLQNBPYJQWGJZ-MRXNPFEDSA-N 470.534 0.955 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCN2C(=O)OCc1ccccc1 1828506249 ZBCNMJCPNLSSEO-DVECYGJZSA-N 467.526 0.878 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccon1)CCN2C(=O)OCc1ccccc1 1828751090 LQGPNZJAFNPONM-HSZRJFAPSA-N 466.450 0.828 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1829262589 UTCKAXCITORPKZ-VWLOTQADSA-N 490.520 0.325 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 1829334783 NPQRGHPLIHLKSM-NBGIEHNGSA-N 483.521 0.953 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(N)=O)CCN2C(=O)OCc1ccccc1 1829475666 GFWYPDUFVDODEV-DEOSSOPVSA-N 469.542 0.910 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cc3O)C2)C1 1829769197 NHSLTHWZKAEXBG-KSEXMQBYSA-N 459.499 0.329 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)cc1 1829901500 FLGWBGDUWCUXIW-DEOSSOPVSA-N 466.494 0.580 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064561 NQJLMTWMHCVWSR-QMHKHESXSA-N 478.546 0.919 30 20 JCED CN(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/O[C@H]2CCCCO2)CC1)C(=O)C(=O)O 1831166043 XZBZVAAOGVNRIG-PKYUIECSSA-N 466.535 0.678 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)CCO2 1831248357 FQMSCZBCZZQCMF-PLGXJTBGSA-N 482.537 0.494 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)cc(OC)c3F)C2)C1 1831397654 VADSYKZOALWQBQ-WAIKUNEKSA-N 464.490 0.951 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1831727712 UGZBVOCPQIHORE-QFIPXVFZSA-N 456.886 0.957 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831999197 XOPHKIVJXLSJGA-HTAPYJJXSA-N 478.550 0.204 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1831999713 AEYMMHHGUFXJKR-OYHNWAKOSA-N 480.518 0.920 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)COc3cccnc3)CC2)CC1 1833073834 JOBOZQOCKVTANJ-WAYWQWQTSA-N 455.559 0.890 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3nccnc3OC)CC2)CC1 1833073941 QSTWGKUFLSIBJO-PLNGDYQASA-N 456.547 0.529 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)cc1 1833106578 MKLSUXYUFKNXNZ-NRFANRHFSA-N 454.575 0.265 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834402742 YNPGCYIYUVDSOW-SFHVURJKSA-N 451.568 0.747 30 20 JCED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)C(=O)O 1834739401 MHTPHWXFXGXEPK-NHXGSGLFSA-N 467.567 0.150 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835362484 MHBLXKSTBCBIPD-HYFFOGBASA-N 466.535 0.117 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)c1ccc(O)cc1 1835765665 CQKRYAHMGVFCKQ-HWHXTQLESA-N 487.553 0.408 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3cc(Cl)ccn13)CCO2 1836368159 ZGGYSRJHLMBIAB-GYLQWBMOSA-N 487.944 0.916 30 20 JCED Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)cnn2c1 1836947404 LYJFDKVVCNUPBX-ABBHQSEISA-N 469.546 0.579 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1836956419 BCVAUXVPWSGKHS-UZQCKINESA-N 471.489 0.402 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836989214 LVTYBQUCGQXEMT-QMHKHESXSA-N 457.483 0.126 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)OC)C2)C1 1837402604 IKRWPCYDLPEXRM-YDLHNXBPSA-N 464.559 0.771 30 20 JCED O=C1CCc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)nc2N1 1837562127 DZCDVSCKVMJWOY-YGYQLRJYSA-N 481.509 0.748 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837757212 NIUHAMVSKSFHPW-HXOBKFHXSA-N 462.547 0.568 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837868368 SDSBSXKUMGKGRW-UHFFFAOYSA-N 484.561 0.312 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838568641 JLLHUFXJPZCIHO-NLFFAJNJSA-N 490.553 0.479 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c1 1838584559 YTHVQIWRNAFZDU-GOTSBHOMSA-N 475.498 0.253 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCN(C)C4)C3)C2)c1 1838584930 NYAIQAABXBMUAY-NTKDMRAZSA-N 456.543 0.979 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c(C#N)c1 1839132193 YLPDVAAWYCNDJK-NRFANRHFSA-N 461.544 0.192 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)ccc1F 1839186143 BYFSTAZIMAVLQU-HSZRJFAPSA-N 460.506 0.028 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476601 YTGRLRKPAZJCBL-KSFYIVLOSA-N 482.530 0.338 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CN5CCCC5=O)C4)C3)c2c1 1839487893 KMINONFJWXZVGS-QHCPKHFHSA-N 466.498 0.127 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839894076 HPMINYDBJANOCH-SCLBCKFNSA-N 467.441 0.404 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(C)(C)S 1840044490 YUVRWNOXIVLMFE-VGOFRKELSA-N 499.586 0.133 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)CCO2 1840055398 SYLGIWBNNPNOCU-NBGIEHNGSA-N 487.553 0.918 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)c1 1840182965 MMOPLUFNENTLAI-UOKFIYJESA-N 473.526 0.999 30 20 JCED O=C(O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1840190448 YCRDWIUWAOMKEU-OAQYLSRUSA-N 466.943 0.966 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1840218965 VNWLNKWETLBTEQ-VXKWHMMOSA-N 466.535 0.118 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nccn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251562 LRLRTWDDXFBKCR-MBSDFSHPSA-N 490.561 0.300 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)CCO2 1840313697 ZGOLAUYMBBRWAA-GBXCKJPGSA-N 455.511 0.195 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCO2 1840771735 MWQDHTHEKUIEQB-DEOSSOPVSA-N 451.479 0.599 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816244 UHVGLPKNBVNRTC-KOSHJBKYSA-N 454.527 0.955 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818654 ODWSIOVIRFYVMJ-QHCPKHFHSA-N 458.515 0.308 30 20 JCED CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820291 IPWZZTGLSADAQT-AVRDEDQJSA-N 463.556 0.507 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1840820504 SYRVXSXJQYYGMO-ISJBWFOZSA-N 496.564 0.794 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1840912433 HXTNXEGOMQGZFA-PUZWTLIVSA-N 489.573 0.809 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841961161 CWKITASHJRDYMI-CVEARBPZSA-N 475.546 0.485 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843009938 ZLEJCLZBPAMHTQ-AWEZNQCLSA-N 469.502 0.151 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1)Cc1ccc(C#N)cc1 1843348487 ZJIRNXVHSKQUEX-UXHICEINSA-N 484.601 0.874 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845106686 BQUGHOFPUYACGL-ZACQAIPSSA-N 451.564 0.991 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1847068625 FQPZYFUOLUQHRJ-CQSZACIVSA-N 469.502 0.151 30 20 JCED CCn1c(=O)c(=O)n(C[C@H](O)COc2ccc(C#N)cc2)c2cc(S(=O)(=O)N(C)C)ccc21 31560920 RTYHIWZAFXDNHS-INIZCTEOSA-N 472.523 0.745 30 20 JCED C=CCN(CC=C)[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C(C)C 503402486 AWTLNUKVHZJXMX-HXUWFJFHSA-N 456.657 0.504 30 20 JCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 516294718 WRJMIFWQXIZEFG-UHFFFAOYSA-N 467.526 0.389 30 20 JCED Cn1c(=O)c2cc(C(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)n(C)c2n(C)c1=O 523326611 DBGKHLRCBTZPHV-UHFFFAOYSA-N 457.494 0.958 30 20 JCED CC(=O)NCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 603778308 VRIWSPUBQZPMLR-UHFFFAOYSA-N 468.582 0.951 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc3c2OCCCO3)c1=O 603986101 LTOOZVSFVFHWAN-UHFFFAOYSA-N 480.590 0.924 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OC(F)(F)F)c1=O 604270536 XDKKAJSKCFVPDT-UHFFFAOYSA-N 480.468 0.678 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(N)=O 608911825 QXECXDZGYPXCAM-UHFFFAOYSA-N 483.377 0.748 30 20 JCED CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CCN(C)CC3)c2=O)c1C 728557937 VOAKYNHSFVNPLF-UHFFFAOYSA-N 471.627 0.880 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCS(C)(=O)=O)c1=O 729673589 WQJUWBREHJCIGZ-UHFFFAOYSA-N 461.565 0.088 30 20 JCED C[C@](C#N)(NC(=O)COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 765959132 PZEAWITUUGQHSM-HXUWFJFHSA-N 451.501 0.868 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(C)c1 838819073 PZDMQJXUISMXIK-UHFFFAOYSA-N 451.552 0.987 30 20 JCED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 916198231 HIXBZTRZBWTZNN-UHFFFAOYSA-N 454.464 0.877 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 918973284 JAWFQIMFCATDJL-UHFFFAOYSA-N 496.480 0.863 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(F)c2)C1 1302484599 PJMHXVGEAJMQCP-SJORKVTESA-N 450.496 0.527 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCSC1 1303642750 YMJIXSNLYNMBTN-JTDSTZFVSA-N 471.653 0.787 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1510218026 MFOUHAMPLIHVES-WBVHZDCISA-N 496.638 0.932 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1510295343 YNMBWYPMUJJXQV-HOTGVXAUSA-N 470.621 0.592 30 20 JCED CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1611804266 NVTIQBLMZYEGAC-HZPDHXFCSA-N 454.553 0.156 30 20 JCED COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1O 1697454922 UDFJTPCTNWVQOV-RDTXWAMCSA-N 464.548 0.969 30 20 JCED CO[C@@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(C#N)cc2)CCOC1 1711628555 QWTUSLAARDEWQX-DENIHFKCSA-N 490.586 0.925 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C 1741133808 UOUQKKRGEYJRBV-YSVMAZNTSA-N 460.626 0.754 30 20 JCED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1742914319 OHUCRNIBVQXBSU-HNNXBMFYSA-N 461.548 0.287 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCOC1=O 1750965440 OJOXGCWQNLBHTL-UHFFFAOYSA-N 467.534 0.852 30 20 JCED Cc1ccc(OCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1751579556 TVCZIFHHOJROQO-RTBURBONSA-N 476.559 0.727 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)C1 1771361067 JLCFECIIFQYOGB-RVKKMQEKSA-N 490.583 0.020 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1778960161 STWYNXURHRSSEQ-SMGXNKOPSA-N 493.605 0.993 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)CCO2)C1 1778969904 BOKIJTZPNDDLRA-SEPYTNNBSA-N 469.579 0.929 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1779106207 YDYDCFMBIDSVTK-RWTMDTCBSA-N 460.487 0.825 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)CC1 1780596882 BEVCQANKNOQOIC-JOCHJYFZSA-N 460.556 0.673 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1781269602 BMEIYLCURQYLKX-RHGYRFJNSA-N 495.573 0.554 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)NC(=O)c2cnccn2)CCO3)c1 1782057551 SIBGSNTVJZTYLF-XDHUDOTRSA-N 462.510 0.919 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782845722 UINJGDFVVYRJQK-WYSSFNIDSA-N 481.475 0.832 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCOCC4)c3)C[C@@H]21 1783530548 DFAXWOSXRZGKPT-CNCKMIOJSA-N 482.581 0.975 30 20 JCED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783562797 IHLQRZCLJGTJKX-LJQANCHMSA-N 469.903 0.243 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(Br)c(O)cc1F)CCO2 1783567359 YNDQNZLSPFZCBZ-SFHVURJKSA-N 455.236 0.825 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1)C(C)(C)S 1783777383 BWVJRGQDRMFBHN-FOIQADDNSA-N 483.595 0.105 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1783883281 GNVCZIIHYWISIK-OIMWQHCXSA-N 498.552 0.980 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)CCO2)C1 1783901348 XZFWILVOYYJHSH-ZQDYSYBYSA-N 477.583 0.907 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4CNC(=O)C4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784087917 CXDSBZWLYSMZEF-HKARXFIJSA-N 462.547 0.518 30 20 JCED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1784453830 KXVLPWRAAFSIDJ-IEZWGBDMSA-N 451.520 0.654 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)C[C@@H]21 1784475214 XPRTYGBFZUTFTJ-AINOVGTFSA-N 491.610 0.680 30 20 JCED COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1784512133 XSAHLUACTVTXDR-VDGAXYAQSA-N 475.567 0.995 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785244950 BRHQLEKFEHOCAO-DEOSSOPVSA-N 489.594 0.955 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1785305457 MCNOFAJMVVTONW-HKARXFIJSA-N 464.563 0.812 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785370720 NBPOFBLCTFCODN-NYHFZMIOSA-N 463.535 0.279 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1785684153 DJYLUNBNQLCDGZ-VXYRRQGOSA-N 491.614 0.691 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1788564672 IBVPIBCQYCGJHR-LBGWLJEBSA-N 453.540 0.203 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788652658 JZVKLILOAQUHKD-ZUKHEZKWSA-N 452.552 0.657 30 20 JCED Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)s1 1788658613 RQQFXRUTVMIFEY-GETUGTSYSA-N 451.549 0.898 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1791026331 HDWKDVZZHORITH-IKJLZNBSSA-N 475.542 0.701 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)[C@H]2C1 1791064996 SZZHBJMUHRLDFR-YIZWPBQVSA-N 451.523 0.914 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791771451 FNIGFDSKXPRRRR-SOWBTEIWSA-N 499.630 0.870 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792836549 LASNUOQVBCTUNW-TWWGPRNNSA-N 476.913 0.776 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1793359364 WFNIGWDSQGDPCW-RPVYPSMYSA-N 467.563 0.395 30 20 JCED O=C(CCN1C(=O)C=CC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1793611480 WFULHCZBNFJPHV-GPVSGQMNSA-N 455.898 0.596 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795586081 KGASDLDYKBYNQD-UYTYNIKBSA-N 469.583 0.619 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796290709 FHEVFAZFXZQMHT-MVJTYMMSSA-N 498.540 0.555 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C 1798278788 WFUIJHXPBGBTJR-ZMMAXQRCSA-N 457.531 0.905 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1799681104 OXWYDHKXVUVKPH-IOIJZZMOSA-N 479.555 0.920 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(NC(=O)c3ccco3)cc1)C2 1800779793 VXDDRJYEIQCYKZ-VPTLXERWSA-N 451.435 0.823 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](C)S)c2n1 1800987330 NRCTUMSHAQUQCV-XPCVCDNBSA-N 491.574 0.034 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C2=NN(C)C(=O)CC2)[C@H]1c1cccnc1 1802478903 WRGXYPLFGSQKRD-JUOHCQIYSA-N 452.515 0.554 30 20 JCED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1802694853 SEHBKFHWOCBRPA-PNYFIKQUSA-N 498.609 0.817 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1802844405 MGKWNBVOJWRUTE-ARDIJPHCSA-N 460.535 0.624 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@@H]1c1cccnc1 1803582774 YVILKEMJANVKGX-ASVZTENMSA-N 462.572 0.627 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804190380 NBTCYOSPYVDUSZ-JXFKEZNVSA-N 457.487 0.149 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)COCCOCCOCCOC)CC2)C1 1806008523 ZIYFAFGJGRIXIA-OAQYLSRUSA-N 468.591 0.952 30 20 JCED C#CC(=O)N1CC[C@@H](CNC(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1807333953 PEADTVKQBXZAEK-MGPUTAFESA-N 465.535 0.575 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)CC1 1808268442 YASUFRBCIZZOEK-AABGKKOBSA-N 499.616 0.914 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)[C@@H]2c2cccnc2)CC1 1809668750 KPYXBZMBGJSSKX-JYFHCDHNSA-N 495.624 0.950 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1810328307 WUHVKQJTMMJXHE-UTKZUKDTSA-N 490.524 0.226 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3n(n2)CCNC3=O)n[nH]1 1816622356 FHBZCVKIRNWCLJ-MWWKQMNYSA-N 466.502 0.514 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817276067 OVEVIULRXOAWQR-AWEZNQCLSA-N 484.600 0.990 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)COCCOCCOCCOC)sc2C1 1825789430 YLORROHAKJFYCY-IAGOWNOFSA-N 483.587 0.790 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1828578998 AVUDRIZQBMIUGE-XMERXJNXSA-N 498.580 0.988 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCN2C(=O)OCc2ccccc2)C1 1828877153 CJRBYCOFWYQHBI-DYRZZGSRSA-N 496.564 0.755 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCN(C)C(C)=O)C2)C1 1829260048 FLQMICVHSKYJBX-DEOSSOPVSA-N 454.527 0.940 30 20 JCED CC(=O)N(C)CCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330706 ORCYWEHALIZJNH-VWLOTQADSA-N 498.536 0.395 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830179806 XIIVJUUSUHEMBP-VGSWGCGISA-N 466.556 0.751 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)c(O)c3)CCO2)C1 1830247432 WBCAGSDOYYHYOV-DEOSSOPVSA-N 476.526 0.909 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1831434862 HLPKXBNFKZYWIE-MWTRTKDXSA-N 456.499 0.997 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1831495789 MTROWTFMFZHVLR-OXJNMPFZSA-N 451.524 0.893 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)COCCOCCOCCOC)CC2)CC1 1833477004 QODQCHLNMVAYAX-NRFANRHFSA-N 499.649 0.845 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)[C@H]2OCC[C@H]21 1834768989 TVSQDSDUSZGDIN-UVELEOGVSA-N 478.546 0.381 30 20 JCED Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675224 XWRISANTOLUNIU-HXUWFJFHSA-N 450.565 0.386 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1835768267 VRMLCZLPXIAPIZ-JKJLQIMHSA-N 474.562 0.344 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(NC(=O)OCc3ccccc3)CC1)CCO2 1836689347 URZDBGZTHGNMKK-JOCHJYFZSA-N 456.499 0.815 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCO4)CCO3)c1 1836970858 HXHSVSCGADYJQG-HSZRJFAPSA-N 451.483 0.921 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cc(Br)ccc3n1)CCO2 1837039295 YZXANYRQXMKBAD-FQEVSTJZSA-N 491.298 0.255 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c1 1837247246 OPAUTMVKHNXOHY-NAFJXCGOSA-N 466.538 0.782 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1837397334 PFWXIFRWBWXLCC-RDPSFJRHSA-N 494.610 0.662 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1837398555 DJHYVFSOLWRWJP-DVECYGJZSA-N 473.526 0.661 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1837443375 IAWJDZKQEDFXNQ-DGEAWOGYSA-N 454.531 0.876 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525632 OCIWAYRTPBTCFH-GFVLEISASA-N 468.551 0.134 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1837529825 ZNQOUQPZXMSEAM-ACEWYNBDSA-N 481.424 0.077 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1837531215 ZRJRLIAKLVFBCI-COQMUBBDSA-N 471.514 0.933 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)ccn1 1837562725 DPMNLARXBCJVCJ-JJDHCWFKSA-N 469.498 0.822 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1837567917 YLBVQFLGBXAVSZ-NCFUXCNKSA-N 480.568 0.015 30 20 JCED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)cc(OC)c4)CCO3)C2)CC1 1838585022 UQLUEMCEPCCPJP-JOCHJYFZSA-N 457.483 0.590 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccc(OC)c1OC)CCO2 1838839835 FYWAPEICGQKYHM-UZQCKINESA-N 474.514 0.027 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839036015 MWQKSLQPEQZIHA-MZNJEOGPSA-N 457.502 0.814 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)ccc1F 1839185914 QOPYMAMISNMIEO-QHCPKHFHSA-N 453.474 0.729 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)nc1 1839361539 QLGDJRUOXXSZSE-XMMPIXPASA-N 498.561 0.935 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363998 GSXVLTNDKOUYNV-RDGATRHJSA-N 494.552 0.293 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401226 SKEFQPUPYMIKLZ-SZNDQCEHSA-N 493.358 0.902 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nn(C)cc3c1)CCO2 1839503415 KSZIBXANKUBUBG-POUSAUBHSA-N 467.526 0.502 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839877265 PAKSWDYAUBHPDJ-RBZFPXEDSA-N 483.447 0.567 30 20 JCED Cc1ncc(Br)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040940 GZHYBKZSXMOUJC-LJQANCHMSA-N 466.288 0.311 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)cc3Cl)C2)C1 1840043474 ATPAMJZTLOTTGQ-JOCHJYFZSA-N 472.885 0.684 30 20 JCED CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043947 DKBIADWLBYFPIR-UZUQRXQVSA-N 481.546 0.470 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1840162128 MYKXZWZDENLXPD-BLVKFPJESA-N 453.473 0.712 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(=O)c4ccccc4)CCO3)C2)CCC1 1840800793 SILDJOUTHYWIIN-DEOSSOPVSA-N 454.527 0.957 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)Cc5ccccc5C4=O)C3)C2)CCC1 1840812539 WNKWCTBUYZRATL-AREMUKBSSA-N 494.548 0.752 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1840819973 REGFTYXTDQIWFR-FQEVSTJZSA-N 485.415 0.499 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)c3ccccc3)CCO2)C1 1840900553 NWEMGGKHJMMJIC-KHCICDEESA-N 459.543 0.852 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1840906411 AXIMQQZBVCUHMM-WZONZLPQSA-N 475.546 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)[C@H](C)CC)C2)C1 1840908469 BSSUTVIBHIMIJQ-NRAIQUKZSA-N 480.606 0.733 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)OC)C2)C1 1840908934 STTDIMQAVHAJEL-JLHGSKIFSA-N 453.536 0.394 30 20 JCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CN2CC(=O)NC2=O)C3)c(C(F)(F)F)n1 1843168556 ROPJLJKRRRGFGB-UHFFFAOYSA-N 450.377 0.341 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844293951 MESCEKWVEFGVNV-SJLPKXTDSA-N 452.552 0.310 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 25963158 YDKFWGDWYXSLTF-UHFFFAOYSA-N 490.494 0.175 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)S(=O)(=O)c1ccc(C#N)cc1 497356032 MPYIKHMTNQNSFJ-UHFFFAOYSA-N 498.533 0.990 30 20 JCED CN1CCN(C(=O)CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 501009951 GQTBVCORCVZYIS-UHFFFAOYSA-N 456.526 0.861 30 20 JCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2C#N)CC1 505625844 YSZUEVMLZUKVGI-FQEVSTJZSA-N 490.607 0.989 30 20 JCED Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 517113668 VZNYEMCNVYWDKO-UHFFFAOYSA-N 480.510 0.314 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 522537412 HURJSXJILOWGTD-UHFFFAOYSA-N 488.525 0.566 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1ccc(OC)nc1 608883528 IHWUZVKOBNIYAZ-UHFFFAOYSA-N 477.481 0.271 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)COC(=O)c3ccc(C#C)cn3)CC2)nc1 729009428 VTOQZPFDTCIWKI-UHFFFAOYSA-N 460.446 0.124 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(=O)N1CCCC1 913730588 AOWHBNOBJDOGPD-INIZCTEOSA-N 464.544 0.422 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)o1 915368058 AASXDLVWVQFQRP-UHFFFAOYSA-N 461.500 0.611 30 20 JCED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916931924 WVZNANOPGYKMEV-MRXNPFEDSA-N 456.480 0.777 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1315065931 XCHNMZDKSKPDQE-SFHVURJKSA-N 459.576 0.524 30 20 JCED CC(C)CN1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1360036362 YOKKRIXYYRWALN-UXHICEINSA-N 458.611 0.950 30 20 JCED CC[C@H](C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1496270261 PALRONFWNOLIED-DOTOQJQBSA-N 467.596 0.656 30 20 JCED CS(=O)(=O)CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1)C1CC1 1505133464 PGAYIFZWWYZJPA-NRFANRHFSA-N 461.544 0.894 30 20 JCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC2CCCCC2)CCO1 1521130512 XNWOKFRNLFUABL-WBVHZDCISA-N 450.565 0.748 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1547764440 KQYVWQXUYIMCIG-SBUREZEXSA-N 453.547 0.615 30 20 JCED CS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1555815867 UAZTUKHEHRBNKJ-IBGZPJMESA-N 476.559 0.662 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCOC1 1611705379 RLPVSOHFMIADDG-VFNWGFHPSA-N 493.565 0.377 30 20 JCED CCNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1615917070 LXMOLCMIEUCDKA-QGZVFWFLSA-N 494.604 0.940 30 20 JCED N#Cc1ccc(N2CCN(c3nnc(CN4CCCC4=O)n3CC(=O)NCC(F)F)CC2)nc1 1620350675 JWPJVGSSBUDTSX-UHFFFAOYSA-N 473.488 0.375 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1697023500 MCMKOIHJVUWTDZ-UHFFFAOYSA-N 461.592 0.913 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712714576 ZYHVXOYNJYOMTP-QGZVFWFLSA-N 463.539 0.722 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1727658867 MUDQKOHWKLCJKM-UYAOXDASSA-N 481.557 0.938 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)C1 1771359937 RERZEXBJNCKSFX-LIRRHRJNSA-N 481.579 0.993 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777703979 LSBUNXUMSMHKGK-UUVZMSSXSA-N 454.531 0.970 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777886366 BKIPNLWECCWZDJ-XXXZYALBSA-N 465.510 0.235 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778114743 NVUHKNRSMHTEHG-OAQYLSRUSA-N 457.593 0.471 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1778792448 OTCBYKZONGESJC-CVDCTZTESA-N 474.514 0.853 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779016108 MUUNZDVGWKRTLH-QFDYULGOSA-N 472.546 0.294 30 20 JCED CN1N=C(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC3(O)CCCCC3)C2)CCC1=O 1779396538 QCJBHUWMLGJXOU-AUSIDOKSSA-N 458.559 0.807 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2 1779444478 FNMZSWQUWBFQHW-RWTMDTCBSA-N 480.587 0.638 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)CCO3)c1 1780335817 LOSNSAXKLLQHIN-HWBMXIPRSA-N 463.538 0.965 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781098560 LMAZGKVLXGSFIF-UMEGOILYSA-N 493.649 0.922 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)n1)CCO2 1781267945 BQEVHNORMYTSIG-XMMPIXPASA-N 472.542 0.871 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)CCOC1 1781307993 GVWJGVSXRHYRFE-ZEQRLZLVSA-N 493.605 0.782 30 20 JCED CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1783142140 UYSXFKHBLVCUTI-IIBYNOLFSA-N 472.608 0.554 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1783864651 FQXXGKSQZUYZTH-KFCHUGGXSA-N 484.619 0.932 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1784532806 FRKZNWGBPDASPU-HJXMPXNTSA-N 456.590 0.386 30 20 JCED CN1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO3)C1 1784787619 NOCAQASUSRTJIH-ZHRRBRCNSA-N 470.636 0.980 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1785573297 XWNLMTXOBIDJTC-HYFFOGBASA-N 485.603 0.414 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1)NC(=O)OC(C)(C)C 1787428597 FZRRBYIUORWKGU-ADHGMGHFSA-N 453.584 0.112 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787500526 LLKKXOYLRFNZKR-MDLJMBGESA-N 466.560 0.278 30 20 JCED CC(C)CNC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1787527755 RSQSUAGYHHQPKE-IEZWGBDMSA-N 452.515 0.800 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CCC4)C[C@@H]32)CC1 1788110748 FFPIRBBTHVPVAY-BZSNNMDCSA-N 452.577 0.332 30 20 JCED CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/O[C@H]5CCCCO5)C[C@@H]43)CC2)CC1 1789807386 DZXGEYZZHYPZTR-OJEQAERHSA-N 477.606 0.275 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCCC4=O)C[C@@H]32)c(C#N)c1 1789839611 LTKLUEVXEFFQBJ-YYWHXJBOSA-N 454.527 0.711 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1789892304 OGCPHRPKCXARSN-UFYCRDLUSA-N 462.591 0.256 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1789955463 KNYFMIZFUOAHBW-PLZKBRGSSA-N 453.565 0.569 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792147032 JNVNCHOVDYHXLQ-LNLFQRSKSA-N 459.572 0.401 30 20 JCED COc1cc(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)C#N)CC2)ncn1 1792629813 WJGMPFRNZXXKIB-XEMDLRDOSA-N 456.547 0.841 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1792886492 BXLMHQMNOCVYJJ-NIVUTHITSA-N 464.519 0.174 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ncn1 1793493922 UBGBQXOEWZBMGT-LOAAXEFPSA-N 473.530 0.855 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1 1796301258 UBUSYBPZBRNAPK-HNJRGHQBSA-N 488.541 0.656 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O 1796316392 DUVFHZNFKCYHIW-NNXHMXCWSA-N 467.567 0.492 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)n1 1796618046 KRQRQMBDLTWDJW-UGNRZPKXSA-N 459.547 0.922 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 1797249481 WEUKKEBFXNGSJP-JTOYRKQZSA-N 485.581 0.986 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1797780653 FVWXRBMNUQXOOY-OPMZPASUSA-N 456.543 0.423 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)CCC 1797930929 JAOWADVCACITGP-JNIAIEOXSA-N 478.590 0.797 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCNC2=O 1797967263 IPMYTQNXGCKRSM-YGKRUVITSA-N 458.519 0.797 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)NC(=O)OCC 1798270197 RCJHPVCOVHHMNJ-DXWTWGPWSA-N 466.535 0.606 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799196116 GQWUFHZVWJNCKX-KWXDATOUSA-N 495.573 0.313 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)=O)C2 1799233438 WWZYXSPIRMFSLU-DMUMMCEESA-N 464.563 0.409 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799641937 KIGZKJPSJHKDKD-WOZUAGRISA-N 457.483 0.451 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1800021060 WYIZQXNCMGAJRT-MHORFTMASA-N 489.573 0.873 30 20 JCED O=C1CSc2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)cc2N1 1800037638 LHJFKMUFEGOYQF-DDZPXRNESA-N 472.571 0.801 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCOCCOCCOCCOC 1800205499 VYHWETDSTVSNMG-BURNTYAHSA-N 454.564 0.749 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)c1 1801287060 VDLUNBTZHHXKRJ-GMQQQROESA-N 480.525 0.241 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O 1801327982 FHNNVYOIYXTDDX-FZKCQIBNSA-N 466.535 0.637 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2)NC(=O)OC(C)(C)C 1801930506 BNBCYGTUZQENLF-JZFYCYHFSA-N 498.577 0.500 30 20 JCED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1802187735 GUWWVNYGHMKKBB-DCXXXQMHSA-N 478.590 0.868 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c(C#N)c1 1804093909 JQMGZEHNBWJJSY-HOYKHHGWSA-N 490.520 0.762 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@H]1c1cccnc1 1813335193 QFCDCLMTAZOLKE-NBHPPDHJSA-N 493.568 0.416 30 20 JCED NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1815062352 JTVLXFVUNBRUAO-PIWVMFDSSA-N 452.537 0.177 30 20 JCED C=CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=N)N)C2)C1 1828584607 JXRGYONAWDBBOD-KOSHJBKYSA-N 486.573 0.513 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1829267133 RYEZCHLIIHMNGE-QHCPKHFHSA-N 471.583 0.556 30 20 JCED Cc1ncncc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332455 MCCVIMVWNZOQLZ-RUZDIDTESA-N 491.504 0.939 30 20 JCED CN[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCN2C(=O)OCc1ccccc1)C(=O)O 1829346285 RAIUMJFYTUCGPE-JTUHZDRVSA-N 492.598 0.820 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccccc4C(N)=O)C3)C2)cc1 1829905544 FQGAIVUCLYYVLE-RUZDIDTESA-N 462.506 0.970 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1830346428 NBNYBISXNXOTFO-JJDHCWFKSA-N 457.483 0.940 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CCOC1 1831219367 WUYOEDWVJKULQK-RPWUZVMVSA-N 477.558 0.540 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1831397612 TXMHWMAFPRBSTH-SBUREZEXSA-N 459.499 0.367 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)cn2[nH]cnc(=O)c12 1831491403 BJHILEYPCNXNIJ-LAUBAEHRSA-N 463.560 0.355 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)CCO2)C1 1832427550 PJLOIUDZCPFICP-AOMKIAJQSA-N 463.462 0.771 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)CC2)CC1 1833075150 RXPYLJZEOFCVCA-GESBFJBKSA-N 457.619 0.757 30 20 JCED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833714258 NFFDYJFDJQXBMI-UHFFFAOYSA-N 476.590 0.500 30 20 JCED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(=O)OC(C)(C)C 1835211801 ZFGVJPGJBUHMEV-FYGKWSDDSA-N 498.577 0.839 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1835677418 QRFPBAIUJYRMQX-JOCHJYFZSA-N 455.519 0.081 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)N4CCOCC4)CC3)CC2)c1 1835766716 NDOGBBDGYNFJBS-VWLOTQADSA-N 469.586 0.703 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836449577 BQGYYLRSNQCBKV-KTYCBKDJSA-N 472.502 0.557 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1836520236 CUYGYUNXNWNULS-YYHIUQKOSA-N 480.539 0.559 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1836997577 JOYZLWFGHYXAMN-QHCPKHFHSA-N 454.531 0.686 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837168952 CLAOQODJTJUGDZ-XMMPIXPASA-N 467.526 0.498 30 20 JCED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(C)C 1837220883 FNHRSJGHMQVIJL-XUZZJYLKSA-N 464.559 0.729 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837241686 PMBVFHVHVKHGMI-ZGSRNSTBSA-N 459.565 0.131 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837318564 UUNWZGRCXPCVOP-MOKCTGBOSA-N 481.424 0.077 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1837399338 QUXIEQWSZSMANR-XZOYJPPVSA-N 473.526 0.751 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837533581 WDEVJLQQBRNUDJ-GSYMPFBVSA-N 463.535 0.649 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1837559744 GATJSDJDAIKMDP-SUUCWYHKSA-N 499.524 0.161 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cc1 1837560352 OAHXBVKHYJTXOP-XGULTSQNSA-N 471.510 0.897 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2Cl)CCO3)CC1 1838598461 IWACCJVYOMNYDS-QHCPKHFHSA-N 475.977 0.529 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1839043948 BVIYWYMZAMGGEC-HSZRJFAPSA-N 492.598 0.331 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048407 VMZGQVVBRGTVNV-RUZDIDTESA-N 459.506 0.780 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@]4(C)CCCN4)C3)C2)c(C#N)c1 1839132920 WBIYEYLOGYLLAD-DNQXCXABSA-N 456.543 0.708 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1839176314 HUKAOLZAZFNXJO-HSZRJFAPSA-N 456.499 0.914 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)ccc1F 1839186644 HGWZUNJLLXKZHA-QHCPKHFHSA-N 470.457 0.409 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)COCCO)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839195643 ABBCHDXFPANTJY-FDDCHVKYSA-N 483.562 0.017 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839350948 JQSWHDGNXGZDSX-HBAGGBEISA-N 457.531 0.327 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc(C)c(O)nc4=O)C3)C2)c1 1839453922 JUQZWSQWNITMGV-DEOSSOPVSA-N 481.509 0.208 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)cc1 1839718784 MTKLYDOZNHFQBL-HSZRJFAPSA-N 481.465 0.398 30 20 JCED COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(OC)c1 1839796770 VGDITVLHZAYYBM-HSZRJFAPSA-N 460.483 0.181 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1840168044 DLSLQGIKUVHSSC-JOCHJYFZSA-N 458.540 0.938 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840168965 AUQKHBRFGVWQEQ-FDDCHVKYSA-N 467.563 0.522 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251440 DFSULMHBASVFPJ-PNLZDCPESA-N 453.536 0.389 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1840293766 UPJJSQANQRQWNA-JOCHJYFZSA-N 469.604 0.308 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CC2(O)CCC2)CCO3)c(C#N)c1 1840595160 NKGUKGLCOQMXFA-DEOSSOPVSA-N 457.527 0.871 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2 1840801354 XTAIHJZYTGXAAX-KSEXMQBYSA-N 480.562 0.216 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1840843538 UEWJZZYTCDZOLC-QFIPXVFZSA-N 453.536 0.398 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)cc1 1840895182 KBBQHGHOISCPLR-QFIPXVFZSA-N 488.591 0.417 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(N)=O)C1 1845995245 VOKPYBXSEGXYRG-HNNXBMFYSA-N 481.550 0.261 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C1)C2 1846366118 RQDBJHWASLBLHX-HOTGVXAUSA-N 493.561 0.131 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCn1cnc2ccc(Br)cc2c1=O 1847782792 FPCPOVQGFLGMOR-IRXDYDNUSA-N 487.310 0.839 30 20 JCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 24770613 WCILDKAXSPNOCZ-OAQYLSRUSA-N 485.541 0.969 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C)CC1 480154744 RLECVGGMQDSQOJ-UHFFFAOYSA-N 472.567 0.140 30 20 JCED COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 516443527 FIZUDCYTGQMNMC-UHFFFAOYSA-N 485.522 0.997 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(C(N)=O)cc1 522542713 PUZJTOHJLFLPPB-UHFFFAOYSA-N 498.511 0.932 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(OC)c(OC)c(OC)c3)c2=O)cn1 523573936 AGMVBKFUZKKHOF-UHFFFAOYSA-N 469.523 0.390 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCc2cccnc2)c1=O 568968335 AWGAIBROWPXVOF-UHFFFAOYSA-N 476.558 0.918 30 20 JCED CCN(CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 604103891 ZQIUJGCBBKGNEA-UHFFFAOYSA-N 457.578 0.246 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(=O)N(C)C 604269915 IRRDKWOUAWOYSI-UHFFFAOYSA-N 483.377 0.570 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC(=O)N(C)C 604270421 YNQPSEKORROMJT-UHFFFAOYSA-N 472.567 0.052 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 608778781 LOLAQFQOXGZLHG-UHFFFAOYSA-N 488.522 0.653 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)cc1 858005496 OANJFAZEQVHMBS-NVXWUHKLSA-N 450.513 0.945 30 20 JCED Cn1cc(/C=C\C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c(=O)n(C)c1=O 915194658 AIFYHHXBZZFUMA-YHYXMXQVSA-N 451.462 0.625 30 20 JCED CCN1CCN(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C(=O)C1=O 918657089 MUNANWXUWVLDKQ-PTGBLXJZSA-N 463.560 0.909 30 20 JCED CN(C)CCCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 1294414276 JJSPXDHFCQCXFD-OAHLLOKOSA-N 456.590 0.083 30 20 JCED CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)N1CCSCC1 1499145664 KESLDLWTRKUCSU-UHFFFAOYSA-N 476.632 0.812 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)CCO1 1503773264 RLOCRXQIOCXUET-PXNSSMCTSA-N 453.547 0.736 30 20 JCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccs2)CCO1 1521130258 UCVNJLALJRACIR-KGLIPLIRSA-N 450.546 0.400 30 20 JCED C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1611774727 KMOOFHDFAJLGDN-KKSFZXQISA-N 457.560 0.800 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nccn2C(F)F)C1 1620171133 TWWIYVCCMZZDLE-YVEFUNNKSA-N 474.469 0.693 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690229232 QRVJRWNKMCSVEC-NEPJUHHUSA-N 453.384 0.712 30 20 JCED COc1cccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1730219143 RSCUPIZGFTXWDK-MNEFBYGVSA-N 477.591 0.929 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNS(C)(=O)=O 1741674772 ULADTJKPXXCRMF-UHFFFAOYSA-N 460.564 0.164 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(C)=O)CCO2)C1 1778920893 GTKMANZAPOHYMQ-OPAMFIHVSA-N 482.534 0.211 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1780894171 VCNXVKSVUPMYKW-ICTHTSFCSA-N 461.540 0.766 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1780899150 KDDOXVWJOWILNH-WBZNBPLFSA-N 472.517 0.632 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO3)c(C#N)c1 1781174150 MYVJCANLSWFNBO-HYBUGGRVSA-N 488.541 0.782 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1781269669 FSWYKAHITKTTOF-SBUREZEXSA-N 483.562 0.601 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(I)c3)C2)C1 1781520217 FOYKZGLUBSSFSL-SFHVURJKSA-N 468.247 0.823 30 20 JCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1782174700 ADRQGXXLXZUXDM-ZKHSXXBISA-N 450.561 0.825 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1782674839 GYHQOSIYIIUJLF-QFIPXVFZSA-N 453.455 0.585 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783759457 NITZLCXWEINHLA-KOSHJBKYSA-N 476.574 0.745 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784747559 DAKLACXPQJIIRY-KKSFZXQISA-N 471.576 0.168 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1785576690 LUTJJKLANKXMAB-SBUREZEXSA-N 473.530 0.602 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790174098 VSMZOYKTXNHRNN-OGNFBWPZSA-N 455.552 0.792 30 20 JCED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1790570830 NIDYDUCBXSQZKZ-LWXWQKJCSA-N 464.613 0.951 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1791108249 AQVNQLPJQFOTLC-XSEPRYCASA-N 495.617 0.910 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791278895 TUYZTDYJOWXJEH-FJIDUMEYSA-N 487.619 0.870 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380040 NALGWSDMKQWEEJ-TUFLPTIASA-N 492.617 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccccc3)[C@H]2C1 1792118742 LTNHEFXNIVQUML-LEBGWRHOSA-N 468.554 0.645 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1793084470 FBABGUNXWNHTMC-RCLSDMTESA-N 493.601 0.550 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1793313668 CIDOMUXGYSVBTE-PJKMLTEKSA-N 466.535 0.157 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795417811 DWOUMTOYQBKPNE-KMOPNRPKSA-N 450.536 0.498 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)O[C@H]2C1 1795420517 DLMJWEJMCJDKDG-CZLFUSQZSA-N 462.547 0.904 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O 1796319988 AZKDCJXPMODNKV-ADHGMGHFSA-N 481.594 0.882 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]nnc3n2)c(Cl)c1 1796574048 IDCZLTXTIAFHPE-CLLJXQQHSA-N 452.862 0.903 30 20 JCED CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1797785221 XOMHMXQEWDGGTR-VTYHHJSWSA-N 458.603 0.055 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799184321 MTFLOXUSWINAGB-CRSSMBPESA-N 491.633 0.129 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CNC2=O)C3)cc(C(F)(F)F)c1 1799783986 LVDHJJJVHSWXIQ-ZSBFGKGUSA-N 479.415 0.332 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883063 GXQWNNBTDDMKRI-LJGDNWOOSA-N 459.528 0.318 30 20 JCED CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1800535080 JULPYMSUVPPYHW-BTYMGIQYSA-N 486.635 0.702 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2)c1ccc(O)cc1 1801054247 UWAYALIDDFVUEF-OPOADAIRSA-N 466.494 0.994 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1802126363 HHGJWPBGUDOELJ-BMQTXXJKSA-N 472.542 0.355 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1802160668 MYFXZWHNUWQTNP-RCLSDMTESA-N 471.558 0.542 30 20 JCED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@@H]2c2cccnc2)CC1 1807736127 DEENZJNHNKKNQV-KDOFPFPSSA-N 454.512 0.856 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2c2cccnc2)CC1 1811536032 BBTTWTBZOGBZSY-OFNKIYASSA-N 463.542 0.765 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1825706662 OQXJWGZQASGDEB-AAEUAGOBSA-N 494.526 0.600 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1828922446 HILXGWHUZBINMJ-XMMPIXPASA-N 496.524 0.294 30 20 JCED N#Cc1cccc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C(O)O)C3)C2)c1 1829190654 ZNAVOCJIHGLRKP-VWLOTQADSA-N 478.505 0.935 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330663 NRDSBHXWRQECOX-CJFMBICVSA-N 498.536 0.441 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829520012 SVTWXPJYJFJCTF-VWXZLZIGSA-N 450.927 0.672 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630936 DOKXPLGOQRKUAP-YADARESESA-N 466.542 0.875 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C2)C1 1829762425 KAFWOHJYMDQFRR-DEYRORHWSA-N 473.526 0.043 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(CC)c3Cl)C2)C1 1829765296 SMCRPNHCRUJEIA-QEVIJRNUSA-N 465.938 0.554 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1829771087 DKLIUDSIQFHUQN-UZQCKINESA-N 471.489 0.402 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1831406172 XWLYBBBWWGTVOG-KRWDZBQOSA-N 470.416 0.781 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831464860 UCSFJMMDULTSRW-VGSWGCGISA-N 463.556 0.503 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4CC(=O)N(C5CCCC5)C4)CCO3)C2)CCC1 1832360109 PJIROLTUZNCUOZ-MHECFPHRSA-N 458.559 0.928 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832540415 BCDFYDYRPXRMDD-SIBVEZHUSA-N 497.548 0.558 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833027840 VHSPPEXJPKOMQK-FXAWDEMLSA-N 455.602 0.889 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccn(C)n2)CCO3)c(C#N)c1 1834248269 VQUSUFANCYEAKL-HSZRJFAPSA-N 453.499 0.613 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834766953 HEYTVTOCMNZZCP-RPBOFIJWSA-N 486.569 0.622 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(OC)cc1)CCO2 1834843451 BNMSZSWSBGARRR-WNFFGTKGSA-N 471.554 0.943 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1834944689 LRBPQPFLTUGWPT-DVECYGJZSA-N 480.606 0.701 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835690634 SZNPEHGWNPHGNT-VTGGFKIQSA-N 475.546 0.867 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccoc1I)CCO2 1836262718 PWMXNGWRYVBRIP-QGZVFWFLSA-N 488.234 0.042 30 20 JCED COc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](C)n4cnnn4)CC3)CC2)c(C#N)c1 1836389577 MUFYAZVYSUQYAO-KRWDZBQOSA-N 480.573 0.929 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836684431 AIXNBLNGZGWERY-ZEQKJWHPSA-N 467.566 0.757 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1837440172 DLUBHHFXZFLECD-RZZUAFPKSA-N 469.546 0.359 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445058 ANOKHJOGFLSBQI-RWOVVYLESA-N 457.531 0.327 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1838584137 RTUIGSREPOZBGE-FQEVSTJZSA-N 484.431 0.315 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1839175159 SDSHUETWISDUKH-XMMPIXPASA-N 486.525 0.858 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)c(F)c1OC)CCO2 1839380272 FLTXUHRGTBSFFQ-KSEXMQBYSA-N 479.480 0.902 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3n1CCN(C(=O)OC(C)(C)C)[C@@H]3C)CCO2 1839594718 ZATUDDXJRYRFAB-MZNJEOGPSA-N 487.557 0.898 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)cc1C#N 1839875476 YVJACVLDAOFQFT-DVECYGJZSA-N 470.526 0.552 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839891349 ABFRPYWZMYWCOC-LIRRHRJNSA-N 481.468 0.447 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4c(c3)CCO4)CCO2)C1 1839998098 BGZHEQMWAFZTRR-RUZDIDTESA-N 470.570 0.902 30 20 JCED CC(C)[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840044409 WULHOESSLDYAMN-GAJHUEQPSA-N 481.546 0.470 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)ccc12 1840159484 FSEQAZBONJSTQI-IVZQSRNASA-N 476.555 0.899 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1840204835 PPELRLPKPWKJGA-LJQANCHMSA-N 454.405 0.307 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219118 CDLAPYGMQQNXGB-FCHUYYIVSA-N 453.536 0.391 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(N)=O)C3)C2)cc1C#N 1840764137 LMKONVJQPZIOBY-QFIPXVFZSA-N 459.503 0.084 30 20 JCED CC(=O)Nc1ccc(Cl)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840785855 ATCWYGNNRFCHMC-OAQYLSRUSA-N 463.874 0.456 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1840844569 CIUITJNQCCSIBQ-HXOBKFHXSA-N 463.531 0.782 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840945155 IVQDKJKINLCWRE-HTAPYJJXSA-N 485.553 0.993 30 20 JCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2)NC(=O)OC(C)(C)C 1846934148 JQXCUGRKWBMCBC-OAHLLOKOSA-N 463.535 0.601 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1847443544 RICNNAGDGTWLTI-JIFUORKUSA-N 469.604 0.888 30 20 JCED C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 11966589 GTXWFIREDBORMW-KEDPEKRHSA-N 452.485 0.829 30 20 JCED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c([N+](=O)[O-])c1 15118259 YNSQDUOBDBZRJR-UHFFFAOYSA-N 451.486 0.625 30 20 JCED Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(=O)c(C#N)c1C 22068892 QNERWACSJDFRBK-UHFFFAOYSA-N 473.511 0.036 30 20 JCED C=CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 108938640 UUPHEEFEQRETKI-HNNXBMFYSA-N 458.558 0.718 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 515263297 YGCAIVOJKRNNEZ-UHFFFAOYSA-N 466.541 0.395 30 20 JCED C=CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 516734068 AKVLBRMOICRWKP-UHFFFAOYSA-N 462.484 0.415 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(F)c1 523299445 OURNZZMULBVUDT-UHFFFAOYSA-N 471.514 0.436 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1cccs1 524337105 WGPILWYGNNCMFT-UHFFFAOYSA-N 473.601 0.867 30 20 JCED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cc1 589157501 YXRPPVFHPXEIDP-UHFFFAOYSA-N 467.528 0.185 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1 603786396 AWJPFEWTTJIXRB-UHFFFAOYSA-N 450.520 0.443 30 20 JCED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc1 604120545 UTKFPSBWIIGOCY-UHFFFAOYSA-N 459.549 0.010 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 727011834 CZTLGNSOQVBQSZ-UHFFFAOYSA-N 464.478 0.620 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cc(C)n(CC)c3C)c2=O)cn1 728557814 RICAWISQDRJICB-UHFFFAOYSA-N 480.594 0.916 30 20 JCED CC(=O)N1CCC(NC(=O)COC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 897786756 YGZKMIPABRFRKX-SFHVURJKSA-N 478.571 0.810 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCCC(=O)OC 917783248 KPUZNIRDJFAGLP-UHFFFAOYSA-N 457.556 0.620 30 20 JCED C[C@@](C#N)(NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C1CC1 919645562 BWWFSRHZACOFKM-BTYIYWSLSA-N 461.496 0.975 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C1CCN(C)CC1 920397533 LREKTSHIAMQBEV-MRXNPFEDSA-N 486.642 0.782 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 1294415194 WFFYGSGBUANJLQ-RDJZCZTQSA-N 456.590 0.192 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(C)(=O)=O 1298285767 KRPGATMHCIXKHK-QGZVFWFLSA-N 482.588 0.164 30 20 JCED N#CCCN1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 1473729200 OCHOOCYQASUDHW-UHFFFAOYSA-N 455.968 0.831 30 20 JCED N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1505321239 LACOJRLNZVWMGT-HUUCEWRRSA-N 480.451 0.917 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1512580744 KVUQAMMDPIRIOJ-FIYPYCPBSA-N 468.580 0.281 30 20 JCED COc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1518475266 FOFVOSUAEUOPBW-IBGZPJMESA-N 473.603 0.945 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C 1541803624 KFETZLIPGUUKCC-LSDHHAIUSA-N 455.585 0.654 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1554507299 JYARSSCHSMRJMT-QGZVFWFLSA-N 478.600 0.770 30 20 JCED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1589443094 LNFYXGQNRCJCRE-UHFFFAOYSA-N 496.410 0.290 30 20 JCED C[C@H](CC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1622583921 USKADGJEEDKZST-CYBMUJFWSA-N 454.574 0.577 30 20 JCED CCOCc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1728972982 ZMGZAWRJWVQOJT-VQTJNVASSA-N 490.586 0.925 30 20 JCED CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748089891 OELRIZKQEDTGDN-UHFFFAOYSA-N 482.593 0.413 30 20 JCED CS(=O)(=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CC1 1750191879 WMINVWOJEJEVNF-ZDUSSCGKSA-N 450.546 0.576 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1767253426 MBGNBRVSGOOFKK-GOSISDBHSA-N 473.559 0.194 30 20 JCED COc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1770373800 TXVKDXQBNTWYSK-ROUUACIJSA-N 462.532 0.397 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777866399 OWUIDLYFIYRNAX-CYFREDJKSA-N 456.543 0.894 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)ccc1Br 1779094245 ALMMNYASNKZQEP-FPOVZHCZSA-N 493.358 0.415 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779366094 OLMQWJFHTAVYBZ-GDSAVBDWSA-N 481.594 0.815 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1779534818 UGOTWHGTUJSZPV-WHDIMNPESA-N 450.536 0.720 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cn5[nH]cnc(=O)c5c4C)C3)C2)c(C#N)c1 1780019924 JQQQMSGZHDSETC-RUZDIDTESA-N 490.520 0.898 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1783680539 YCVIRRYWIPGAIZ-PZJWPPBQSA-N 462.609 0.467 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784461032 LFHAIUFCBLIXDP-SBUREZEXSA-N 473.530 0.602 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]3C2)c1 1786792027 GKDYMRGEFHFLHQ-FCLVOEFKSA-N 464.459 0.632 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]n3)[C@H]2C1)C(C)(C)S 1787223360 JZPIHGYFUGTYMK-ZQDZILKHSA-N 482.607 1.000 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787498476 OGDXVAMMRKVAAO-IUDRFFSFSA-N 485.566 0.719 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1788706029 CWUTYTZRXJAEDJ-QTWZMDIBSA-N 462.510 0.760 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906815 MEHITJFPYTVDST-XODARUQUSA-N 489.500 0.714 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccnc4nc3O)[C@H]2C1 1790363232 MCYSEXMAYJIAHP-OIMABFAESA-N 465.510 0.787 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cccc(F)c34)[C@H]2C1 1790516283 FNKDXCJJZIUJQS-RVKHQLRBSA-N 455.490 0.925 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1792256702 HRBVBVONVVRUGN-FJIDUMEYSA-N 460.535 0.174 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C3)C1 1792443536 ALZNWVIBAFXUDQ-XMTFNYHQSA-N 465.547 0.999 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)[C@@H](F)C1 1793222928 UIJKJGRZMOJORR-NTODXPRQSA-N 467.494 0.259 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1793340912 RLZXZMLUIMQNRN-PZTGFMGMSA-N 453.495 0.301 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1793382548 DZKBNBXOHJFJBN-YALNPMBYSA-N 461.544 0.836 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1793597285 IYUBGKAHWFALCW-DACLVMHWSA-N 489.529 0.847 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794504416 IHQLOAADJWPPFC-VAKZPMALSA-N 475.615 0.566 30 20 JCED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795997236 LSFOUTZMJLIXOB-QHBPRCKVSA-N 455.393 0.531 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1796300556 FWPWSCYLTKZKAR-QXGSTGNESA-N 476.505 0.786 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1799260454 OAFDWSXIPNMKCP-JHDGKUDLSA-N 493.601 0.937 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799710350 USFZJWGJCFMBPF-CXHZTBPHSA-N 495.330 0.588 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2[nH]nc(C(F)(F)F)c2C1 1800319742 PPSSOOZOHZDJLP-MNLSVMLLSA-N 454.449 0.771 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801355843 RFOYVTXOAPRASS-FGAUOQBDSA-N 461.475 0.924 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)[C@H](O)C1 1801979091 CNPCRONCWGNTIL-APAFKAMOSA-N 476.574 0.888 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1802043123 MXSHVPJJQFNRMW-TWWGPRNNSA-N 467.501 0.976 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C2=NN(C)C(=O)CC2)[C@@H]1c1cccnc1 1804114044 DBGZUVJUPBEUGI-GKJUPAQQSA-N 452.515 0.554 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)N2CCN(C)CC2)[C@H]1c1cccnc1 1807852542 LIHOOUWNPCXKFO-LUBSFUMXSA-N 468.602 0.582 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879007 CYABPIGQKAWGOQ-CSODHUTKSA-N 474.514 0.451 30 20 JCED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC1(O)CCCCC1)CC2 1819468056 NDABXMVFITYIPN-SCLBCKFNSA-N 464.544 0.818 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1823518466 VIGXCUSZUKXXJJ-ZOBUZTSGSA-N 489.577 0.911 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671559 JCFZQRSDIIXVSG-SCRDCRAPSA-N 478.527 0.513 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828805967 GZEKXVJASUJMFS-JPYJTQIMSA-N 470.530 0.799 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)O)CCN2C(=O)OCc2ccccc2)C1 1829322519 PJZRVFVGXGGURX-KHCICDEESA-N 457.527 0.858 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1829796683 CKLYVMAODMOMLJ-XZYKOBSISA-N 464.544 0.969 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1831397015 NVVKCLMICUFVMD-DVECYGJZSA-N 460.527 0.556 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1831402596 LNEMDVJPOSHFRO-OPAMFIHVSA-N 461.471 0.712 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)CCO2 1832004422 CWHSPHPUKLYLHE-TVTNDZMWSA-N 455.552 0.947 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)CCO2 1832009753 TXUVONNWKYSXHT-LYXWCMDISA-N 466.575 0.995 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1C)CCO2 1832462965 HKWXHSXWKNUVLI-QNIAMRLHSA-N 455.555 0.538 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833025665 FBRDVCXWGKCOPT-RGUAHJAXSA-N 490.557 0.022 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(C(F)F)c1)CCO2 1833314573 CTJOBERCHZKODA-LJBSOROUSA-N 464.469 0.948 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCO3)c(O)n1 1833385623 SQXUNJCWUOEBQM-RUZDIDTESA-N 497.552 0.990 30 20 JCED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cccc1=O 1833870016 ZOOGZQSDKATPAY-DEOSSOPVSA-N 450.495 0.570 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1835674814 QKDKNPQEAZWAAT-QHCPKHFHSA-N 454.531 0.915 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)n1 1835677977 SDGVCGMKZHAGCW-XMMPIXPASA-N 488.589 0.025 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837318997 FZDZZUCWTYHTKK-SFHVURJKSA-N 466.409 0.058 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1837401029 SKJXHPDQRJPAJH-UZUQRXQVSA-N 463.531 0.742 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1 1837531446 MXALEQFTELXDJK-PTJKWTKHSA-N 477.518 0.474 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1ccccc1=O 1837690169 MKQWAJMZWIHAEB-CLOONOSVSA-N 480.521 0.816 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838508802 CJBAQSXHWYKXDF-JLTOFOAXSA-N 462.532 0.957 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccccc2C(=O)OCCO)CCO3)c1 1838569324 YKRACBHRZYHSHI-DEOSSOPVSA-N 482.493 0.419 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c([N+](=O)[O-])cc1O 1838600130 STMQMUQZGCAFJJ-OAQYLSRUSA-N 462.459 0.929 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)C2)c1 1838732573 WBWXTWQKJGFGSD-INIZCTEOSA-N 462.356 0.312 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839174874 BKXGMTGTAVFSBJ-JPHKLTHBSA-N 467.519 0.481 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839185420 YUXFTQRQYSYJKV-HXOBKFHXSA-N 482.578 0.391 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)ccc1F 1839186951 ZWGAFXLHPFJZRZ-DEOSSOPVSA-N 481.484 0.504 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210049 BZQXVHGGESVZQV-YTZAWJCFSA-N 499.605 0.292 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C(F)(F)F)nc4ccc(F)cn34)C2)C1 1840044435 HWFJKBFECIBDNN-FQEVSTJZSA-N 498.389 0.650 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840142403 MEFSBVRNEOOSTH-IPVFLDMMSA-N 488.581 0.897 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840142838 ZSVWBYIJOUFHIW-YFUHISSISA-N 473.526 0.910 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2)C1 1840171792 ZRXQMJOUFZOSAF-NRJQMVOHSA-N 455.552 0.947 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1840194586 WNCZEYCHRWBIBT-OAQYLSRUSA-N 463.512 0.211 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1)c1ccc(O)cc1 1840221736 ICKHGMKEKFUWGN-CJAUYULYSA-N 496.520 0.861 30 20 JCED O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CCN1 1840229895 RDZDMOJEZRAGIS-SVOASRKSSA-N 461.540 0.470 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCc3ccc(OC)cc3)CCO2)C1 1840253060 QOMZYWURVKBUPM-NTKDMRAZSA-N 460.527 0.707 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c(C#N)c1 1840447758 CIRMROXPTJHZLJ-HSZRJFAPSA-N 468.514 0.248 30 20 JCED Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)c(=O)nc1O 1840806293 RTBYVAKJKWQISX-VWLOTQADSA-N 495.536 0.218 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)n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c1cnc2ccccc2c1N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 500040910 PPLPQFUQVRMWBA-WMZOPIPTSA-N 467.551 0.791 30 20 JCED C[C@@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1)C1CC1 508368935 IDNAGEJPMIHGRY-FQEVSTJZSA-N 481.962 0.786 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 513985668 REOBLWQDADHCFG-HUUCEWRRSA-N 472.589 0.554 30 20 JCED CS(=O)(=O)NC[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 514459320 GARBSFBKSROJTH-QGZVFWFLSA-N 468.601 0.747 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)CC2)c1 516015661 NRKXNSJPWHYFNZ-UHFFFAOYSA-N 477.525 0.511 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(C)c2C)c1=O 518216290 KXMZYWOFMPDDBL-UHFFFAOYSA-N 452.580 0.664 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCCCO3)c1=O 523466498 FLVKJXXZZFEVRZ-UHFFFAOYSA-N 485.562 0.469 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3nccs3)CC2)CC1 557646918 WYHSDZGFNQKSIZ-UHFFFAOYSA-N 460.585 0.670 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 588156657 MYYWALALRUXIST-UHFFFAOYSA-N 485.591 0.457 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 588156783 ZVUZLNVJLXJTOK-UHFFFAOYSA-N 468.560 0.729 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 604498150 FVFVNMILTLXQCE-KRWDZBQOSA-N 468.514 0.636 30 20 JCED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1 608829003 VKOOATPILLQVSA-UHFFFAOYSA-N 488.569 0.977 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(CCc2cccnc2)c1=O 609038058 CKAFLXCQYJLXIR-UHFFFAOYSA-N 457.519 0.818 30 20 JCED C#CCNC(=O)C1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 747809283 XPARYOMQQNFGAJ-UHFFFAOYSA-N 479.559 0.171 30 20 JCED CC(=O)N1CCN(C(=O)[C@H](OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 876701407 SCFBVAZEWOSWRV-HXUWFJFHSA-N 478.571 0.764 30 20 JCED N#Cc1ccc(NCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 917879793 JCZMRXKONFVSDU-UHFFFAOYSA-N 451.530 0.365 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(=O)N(C)C 918729986 MMKMNZJNACYUGJ-UHFFFAOYSA-N 458.588 0.225 30 20 JCED Cn1c(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(C#N)c(=O)n(C)c1=O 919723746 WUYDLPJSLFFRSM-UHFFFAOYSA-N 450.478 0.823 30 20 JCED CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1302402022 QOJMQZSTHNXJRC-UHFFFAOYSA-N 451.531 0.980 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CN2CCCC2=O)n1CCCC(=O)N(C)C 1305121012 NGCJQMZUBADSPG-QGZVFWFLSA-N 480.577 0.646 30 20 JCED CC[C@@H](C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1496270262 PALRONFWNOLIED-NVXWUHKLSA-N 467.596 0.656 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1509686168 XJHJHTDASMMPQR-SFHVURJKSA-N 486.602 0.977 30 20 JCED COC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1554722110 ZNRGFGMLPHQLDB-CVEARBPZSA-N 454.553 0.299 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)c1 1554796835 NYLQQFOJPPBJOU-IBGZPJMESA-N 456.503 0.940 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1627248100 ZTTPBOJJNACMHT-MRXNPFEDSA-N 457.556 0.914 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](CO)C1 1637732743 QRZHGJPBTONAOF-CQSZACIVSA-N 452.533 0.555 30 20 JCED N#Cc1cccc(CN2CCC(NC(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)CC2)c1 1683702899 JXAJNFARXXJNEZ-UHFFFAOYSA-N 457.560 0.962 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1710046164 QDBGMHMUBZYOSP-UHFFFAOYSA-N 494.600 0.666 30 20 JCED CN(C)C(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729308616 SLNSHDCRTHXADG-INIZCTEOSA-N 456.576 0.924 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CCO1 1741112209 YXTSMJWAORMGKE-FQEVSTJZSA-N 450.503 0.852 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1748293035 XSXFVRMUMRTNDE-IBGZPJMESA-N 486.602 0.109 30 20 JCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)[C@@H](C)C1 1749849306 IKUCQEIONYUAPG-INIZCTEOSA-N 472.571 0.813 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCN(C)C1 1761234501 ROSFWJFIECFFHT-QFIPXVFZSA-N 453.551 0.076 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1763203970 IKGHKXAAJPGJKJ-FUHWJXTLSA-N 457.560 0.813 30 20 JCED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1771358651 OGHFHDFNCWJCOW-KRWDZBQOSA-N 458.544 0.974 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1)c1ccc(O)cc1 1778359758 XQIWFIMTLVSVFH-HOFKKMOUSA-N 496.608 0.883 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1778961498 NMMOWIIYFMGAKH-MFEFFIJZSA-N 481.594 0.993 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106500 KKEVHPVLAOGORZ-ZKUZFRAQSA-N 473.530 0.559 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)n1 1779234820 LNROCBCYRMAMJK-QHCPKHFHSA-N 458.563 0.399 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1780741214 NBKYJZPXQHSANI-CBGDNZLLSA-N 456.561 0.587 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780934623 BJLYGQCFGZULIH-FQEVSTJZSA-N 450.586 0.641 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)[C@H]2C1 1783565169 JMXZEVXIEOVHMT-REYXVDKWSA-N 475.542 0.797 30 20 JCED COCCOCCOCCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783665704 BUGSFLAFPSNKEB-DEOSSOPVSA-N 466.575 0.585 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1783883426 IDTFRDZNZXOJAX-VVBPWWLESA-N 484.550 0.003 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1784044723 JPVWTLUHOHUJTC-SMGXNKOPSA-N 476.574 0.812 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1785515863 JUIJXQIJKHHRSP-HXOBKFHXSA-N 489.529 0.786 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539776 AVSIPFFIPNZVOU-NRFANRHFSA-N 465.597 0.375 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1789891956 CBXQMIUBWOXFHR-OKYOBFRVSA-N 497.589 0.751 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(I)c(O)cc3O)[C@H]2C1 1790298191 BBKVMHGENLKWCF-PKWAYOAASA-N 470.263 0.929 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790859744 HKVDZFAUZFNJIG-WPVAHCMFSA-N 490.601 0.799 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cc(C)c(O)nc4=O)[C@H]3C2)c(O)n1 1792131394 ATLPELRIVCXVMU-VDGAXYAQSA-N 497.552 0.770 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n(C)n3)C[C@@H]21 1792261877 SBZRZFLBXKIAKY-OVWQWFNUSA-N 475.546 0.636 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ccc1NS(C)(=O)=O)C2 1793346294 JCAUHPRQHNOWFX-BKEDOTJMSA-N 483.974 0.953 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793604280 QMSUXMOAXAOPSL-DTZXSQNASA-N 493.605 0.684 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795084452 UHHSQOZZECYECY-YGPNDZQQSA-N 462.547 0.762 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cnnc2)cc1 1795491907 ZZBKUVKIDQWHGD-SWFHQTGMSA-N 450.499 0.329 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F)n1cnnn1 1795997279 MEBRPYUHNPAWCN-OHTBPHCPSA-N 464.408 0.423 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C[C@@H]1CCOC1)NC(=O)OC(C)(C)C 1796448840 PCEHMMFSIFROLB-ZWJPJJENSA-N 493.601 0.934 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)C1 1797122112 ZTHSWKXADALTCD-RHQZKXFESA-N 476.574 0.888 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)NCC 1797694957 MSOZDZYOHBZYHA-AVEIZBFRSA-N 481.594 0.753 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1797786416 MVLITFLMLOVGMQ-AZCYPCNMSA-N 478.523 0.571 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C)CC1 1797840294 GJCGJOWJSLELPL-YRPNKDGESA-N 461.607 0.789 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)c2ccn(C)c12 1798431997 DDIXMLKJTGENDZ-CCWDJLKJSA-N 456.499 0.992 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cc(-n2ccnc2)ccn1 1798728744 HBIZRUFVNJPSKV-PMEUBLMBSA-N 451.531 0.942 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1)[C@H]1SC(=N)NC1=O 1799642160 CULPGSKVQSENIG-LKIBZCMFSA-N 455.540 0.758 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(O)nn2)C3)N(C(=O)OC(C)(C)C)C1 1801100236 DUPLBZPFZHGGPI-HIRMHNASSA-N 473.530 0.951 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)c(O)n1 1801284015 VBIVQFIPTCGSEG-WOSNLTMFSA-N 496.568 0.580 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2 1802084607 PYXBLBOTUGXLDG-BQJWPVKWSA-N 487.619 0.987 30 20 JCED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1803555336 VYCRWBDBNDHTMF-YLJYHZDGSA-N 454.464 0.795 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1810390700 UMWZMMRCPCMBHP-FUOYKYTPSA-N 474.481 0.844 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1810393390 TVZAGJFZDRKCDF-CINKFKDASA-N 463.431 0.524 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1813335123 BKYCHHBYDGWZQZ-NNWRFLSQSA-N 494.600 0.840 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(N)=O)n[nH]1 1823542191 FCRYOAHWPLPMKE-HIFRSBDPSA-N 461.523 0.987 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)[C@@H](O)C1 1825669390 CTQFJWJDLFAJSZ-DYEKYZERSA-N 478.527 0.371 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(O)O)CC2 1828299272 UHOAMSTXDZACPW-SUTOTMHJSA-N 452.533 0.835 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1829266770 DMPPCLYFJWQQEI-WZONZLPQSA-N 450.499 0.924 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCN2C(=O)OCc1ccccc1 1829373364 XEZCBEGOEVRTSS-RUZDIDTESA-N 493.520 0.667 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829523605 FYCBYYORFZASBZ-RMUOZIPVSA-N 450.442 0.288 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1829760102 RNTNIIVJPBWDNU-OAQYLSRUSA-N 472.527 0.600 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1829845659 FWSVANJTDUIXTQ-QPPBQGQZSA-N 456.543 0.862 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1830300822 REROUILWWHESED-GKGWASKHSA-N 498.577 0.885 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CCO2 1830887252 VKNJUZVOZWDLQI-HSZRJFAPSA-N 485.578 0.577 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)CCO2)C1 1831139122 NJMSSCMQXHZXHZ-KOSHJBKYSA-N 477.558 0.658 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)CCO2)C1 1831139125 NJMSSCMQXHZXHZ-MHECFPHRSA-N 477.558 0.658 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1831396584 FUMIRXGJHUFUIZ-KSFYIVLOSA-N 464.540 0.572 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(Br)nc3)C2)C1 1831397000 NQRISZDYZICTNI-HRAATJIYSA-N 480.359 0.881 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1831434289 VHKOSUMPGYOEPT-JLGINSKQSA-N 456.543 0.800 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831449515 KUWKZEQUGZVGAX-QFIPXVFZSA-N 487.538 0.411 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831669195 PIVRFHRAYDMYCP-IRXDYDNUSA-N 451.520 0.580 30 20 JCED COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1OC 1832098834 IDCGOBLVWWFUIZ-QHCPKHFHSA-N 460.483 0.181 30 20 JCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1833147106 LIRUAYQHJUFMJW-UHFFFAOYSA-N 462.576 0.573 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4nc(C)no4)C3)C2)c(O)n1 1833699203 VLDXGAQKYSPYIO-QHCPKHFHSA-N 471.514 0.910 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834401399 HUXACMGQPATDRX-SBUREZEXSA-N 475.546 0.407 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)ccc12 1834758312 KVBHHCLDXBPWMJ-JOCHJYFZSA-N 455.471 0.495 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CC(F)(F)C(=O)O)CC2)CC1 1835070761 ZLCALNPAOJHZAJ-ARJAWSKDSA-N 456.490 0.526 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835075508 HYDBXJSRDVHPAM-UHFFFAOYSA-N 459.551 0.355 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CN(Cc5ccccc5)CCO4)C3)C2)CC1 1835341918 LYRUVOZKGRSXCH-PXDATVDWSA-N 468.554 0.648 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835427048 TVIMPNNAWPZPRU-OPAMFIHVSA-N 468.551 0.000 30 20 JCED Cc1cc(Br)c(N)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835497375 SRUWIFBEAZBEFY-FQEVSTJZSA-N 480.315 0.498 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731773 CJLPNSOSVILUHR-LWROZRRASA-N 493.605 0.525 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(=O)n5[nH]cnc5n4)CCO3)C2)c1Cl 1835923852 IHAXZZWDUUZBSV-JOCHJYFZSA-N 497.899 0.326 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)c(C(F)(F)F)n1 1836322057 XZKZEMWLLGHXGC-LJQANCHMSA-N 480.403 0.785 30 20 JCED O=C1Cc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)ccc2N1 1837491529 OYPAZSJXGHJCPU-AREMUKBSSA-N 481.549 0.950 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)N2CCOCC2)CCO3)c1 1837522512 IBGPQKSGKNEOCI-XANCMCCPSA-N 472.542 0.034 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1837528716 NINYYLYOFXZVOD-JWRHBCIMSA-N 471.514 0.933 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1837529731 XNBYVJOSQGBKBX-KGALCJGCSA-N 464.563 0.312 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(N)s4)C3)C2)c1 1838581818 RIPMJVCDIBHIMC-NRFANRHFSA-N 457.512 0.989 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5ncccn45)C3)C2)c1 1838581891 UTCFMFOPBVYLMQ-XMMPIXPASA-N 476.493 0.993 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ncn(C)n4)C3)C2)c(C#N)c1 1839131481 HCSSOZCKCUTBPP-JOCHJYFZSA-N 454.487 0.008 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1839173312 JMRRTULMFGZMGS-JOCHJYFZSA-N 454.520 0.684 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191116 VBQLPHAMHJBOBW-ZEQRLZLVSA-N 479.574 0.930 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(I)c1)CCO2 1839268175 AAPLNLUXTAPHJK-LJQANCHMSA-N 498.273 0.449 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cccn4)cc3)CCO2)C1 1839336741 SUYFIEOKPWKFAS-YADARESESA-N 452.511 0.981 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)nc1 1839361538 QLGDJRUOXXSZSE-DEOSSOPVSA-N 498.561 0.935 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)n1ccnn1 1839706880 BGTQYZCWFTWUAO-VLIAUNLRSA-N 493.446 0.895 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839735928 LEIMDQMDMMTDTC-KQHYHWCPSA-N 455.559 0.951 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1)c1ccccc1 1840157698 YAYATTGIANGOKK-CEQIKUNHSA-N 451.545 0.858 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840166200 XUWSZVILQDIZLD-VGOFRKELSA-N 486.635 0.314 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1840173898 WCYCYAJQWBNQCU-QHCPKHFHSA-N 490.561 0.675 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251917 FKKFUPNKOJWXQE-AMJMATRHSA-N 479.574 0.779 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840290785 IGSXASCPNSJKHW-OPAMFIHVSA-N 451.520 0.945 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840819615 WHMGYUDARCNZMD-HSZRJFAPSA-N 468.466 0.513 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(C)CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1840840092 XKNRUAONBCGLBF-UKDVSSAZSA-N 493.601 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)CCO2 1840900106 IVHQHTXISFOGOF-PAOWDLQYSA-N 484.553 0.120 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2)Cc1cccc(C#N)c1 1841917859 DIYIFKKNDRFNNU-UXHICEINSA-N 484.601 0.874 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2)C(C)C 1845248290 SJSIBEABFOSOLN-IRXDYDNUSA-N 459.547 0.865 30 20 JCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2)NC(=O)OC(C)(C)C 1846936740 CTIZTNVRZNRGDM-MJGOQNOKSA-N 466.579 0.700 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC2)C[C@@H](C)O1 517179427 MUHBZIQHCXVQPG-HDICACEKSA-N 493.586 0.806 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCNS(C)(=O)=O 589160777 NZUSXWBDYWJKSB-ZDUSSCGKSA-N 451.545 0.716 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(=O)N(C)C 604270019 MRHRTQPQGJQNGR-UHFFFAOYSA-N 482.484 0.282 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C#N)c(Cl)c1 608827428 BLIPFNVQLXMZSK-UHFFFAOYSA-N 468.926 0.423 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CC2CCN(S(C)(=O)=O)CC2)C1=O 726115342 PUQBDMDLIAPJPF-DVCONVQISA-N 467.617 0.732 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CC1 729257966 YCUNYKVRWPVUBO-UHFFFAOYSA-N 485.404 0.597 30 20 JCED CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 743434347 NJIQVIWMTRBGDY-KGWRKDBXSA-N 463.560 0.813 30 20 JCED C=CCOc1ccc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1OC 805754171 XMAJLHPNCKBHHM-KRWDZBQOSA-N 452.529 0.748 30 20 JCED CCS(=O)(=O)N[C@@H](CCSC)C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 915379292 REGUFXIILQSGNV-AWEZNQCLSA-N 473.577 0.108 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(-n4cncn4)nc3)CC2)cc1 916394451 UXCSBBLDAQGZKW-UHFFFAOYSA-N 452.500 0.750 30 20 JCED N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC(=O)N2CCOCC2)cc1 1302994315 LHFMAALCJAJBJL-QGZVFWFLSA-N 453.503 0.289 30 20 JCED CC(C)NC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1303425496 OJUBAOAKVZSQAP-KRWDZBQOSA-N 475.575 0.839 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N2CCOCC2)nc1 1360672833 YQQJMHOGWHNDBT-INIZCTEOSA-N 474.591 0.908 30 20 JCED CC(C)(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1706115809 BYBRJCKANSGMSD-QGZVFWFLSA-N 462.580 0.860 30 20 JCED COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1729779577 WNNGINIFNHMCML-KRWDZBQOSA-N 474.543 0.764 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1761437959 VZYHCTZTDRGEKR-UWVAXJGDSA-N 485.586 0.021 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)CC)CCO2)C1 1778921776 TVQGURHWZLAPGU-MWTRTKDXSA-N 496.561 0.601 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1)c1ccccc1 1779182788 DTYIBEHNJBANLO-SIKLNZKXSA-N 463.471 0.738 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1779652588 MUDKIZBMGIDGFK-HMECNJMJSA-N 455.437 0.741 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2 1780739531 LGWIAIUMFAGKEW-XMSQKQJNSA-N 485.603 0.435 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1781401017 LGPIVVZOHSUNNB-PONJGIIJSA-N 483.566 0.386 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1782011243 QQSOGXYFSFWTJH-HOYKHHGWSA-N 467.478 0.275 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1783054708 JXWANNWMUBBVEY-OPAMFIHVSA-N 450.536 0.211 30 20 JCED CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783556326 QIBSEEDQUFGMFZ-NRFANRHFSA-N 467.494 0.644 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)c3ccc(OC)cc3)[C@H]2C1 1783765965 OLGOBJGIWVBUIO-MSDQSQJYSA-N 457.527 0.567 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784343876 SNFBUGDWKZJWHC-MQNAVGNWSA-N 474.562 0.968 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1785571571 FJXRTJCRUPXFCK-MHECFPHRSA-N 472.542 0.745 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 1788658919 QDXGNPKYRBOQPE-KBXOYDNSSA-N 456.503 0.852 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789907305 FFSAFRXZPNGPLE-IEZWGBDMSA-N 461.563 0.704 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21)C(C)(C)S 1791191979 LGWDJZNUOMSQNA-RNGZQALNSA-N 498.646 0.846 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1792258089 RNQHHTFNRJYCCE-MUGJNUQGSA-N 486.569 0.745 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1792259149 ZZGDKFZEWVWGSS-OKYOBFRVSA-N 474.562 0.565 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c1 1792697774 SUUROIPCXZYHHL-NEDQEEEMSA-N 479.555 0.822 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1793088059 BBKPBRKOKRFDGT-MVJTYMMSSA-N 460.531 0.848 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2nnn(CC)c21 1794108974 WXJUDYTYEXGHLM-YYAJDYIMSA-N 472.546 0.355 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1-c1cccc(=O)n1C 1795933629 HGXIALHWPWSURN-AYMMHLMVSA-N 484.557 0.884 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1797703938 IOCNJHBVMFMPJF-BVRUVYRISA-N 479.574 0.728 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1)c1ccc(O)cc1 1797808805 QQONKUHBTFHQCX-PWKSBJOCSA-N 471.554 0.129 30 20 JCED Cc1nn2cc(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/O[C@H]3CCCCO3)nc2s1 1797808979 VHUUNLCPBDSHOQ-MQIWHYJMSA-N 476.559 0.760 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1I 1798115678 UUNZBZYTNGJYGO-FMSGJZPZSA-N 472.283 0.256 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1799304330 DYUFMSBAPCYXFA-HGKCTWBKSA-N 485.497 0.391 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)ccc1F 1799323012 MKFKPYKSHJMVNA-GPVSGQMNSA-N 454.458 0.145 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1799334454 CKURXNVSQACISW-VQQMMKBISA-N 495.536 0.844 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)C#N)C4)=NO2)C1 1800709741 HPFDYMCOQWELND-SCAQPMJSSA-N 475.546 0.892 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cncn1 1801363472 LEESCBVZALXEOR-JCECYMMASA-N 460.535 0.345 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2)NC(=O)OC(C)(C)C 1801930882 XCCFXLUCGOWTHZ-SRYPRDQNSA-N 493.649 0.683 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOC)C2 1802124569 AGFVZYYDWCZUFM-SFNKJDCFSA-N 453.536 0.156 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1802139985 XFTPNEFQTODEAS-PZPPHJHLSA-N 460.535 0.337 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1807144823 BVVVVKBCBCEKHD-PXNSSMCTSA-N 478.557 0.623 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812880279 NPVJZAVBZLHXMY-UWVAXJGDSA-N 474.514 0.451 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330797 YPHNHWNXISRMQK-VQHJYRBFSA-N 486.514 0.629 30 20 JCED Cn1c(=O)n(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)c2ccccc21 1818702558 GSIMDVSCYIVFQT-GFCCVEGCSA-N 453.480 0.497 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1828920922 BPJFWAQPZQBSNR-DEOSSOPVSA-N 464.478 0.830 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCc3cn[nH]c3)C2)C1 1829330680 OCFRVPGJZPRWFJ-VWLOTQADSA-N 493.520 0.882 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)cc1 1829632162 SDUZIHBDNCKILG-DEOSSOPVSA-N 470.526 0.790 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](OC)c3ccccc3)C2)C1 1829765279 RORDRGBWZDKAGS-NDPCJVRSSA-N 457.527 0.689 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC[C@@H](C(=O)OCC)C3)CCO2)C1 1830699954 ZCSAPVIAEMECAC-ZSTWQFLISA-N 464.559 0.851 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1831408761 AMPGSQRUJVHCGT-JOCHJYFZSA-N 487.619 0.097 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1831420580 YKUUSNXONOMHAW-VFNWGFHPSA-N 463.560 0.689 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C)CCO2 1831723303 KBFQRJRRHASQCJ-CECAUBDESA-N 451.520 0.100 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)Cn4ccncc4=O)CC3)CC2)cc1 1833107922 AAUOOSFEOOJUGX-UHFFFAOYSA-N 462.554 0.929 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)N4CCOCC4)CC3)CC2)c1 1833237302 SLQDWGJCBUIOBC-AREMUKBSSA-N 483.613 0.713 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833400927 QBPIIBCZVIHRRT-MWTRTKDXSA-N 493.561 0.665 30 20 JCED CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(OC)cc3C#N)CC2)CC1 1833439351 CFDMCAIJCXYSDI-UHFFFAOYSA-N 455.559 0.817 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834598920 LJTXZSKJQVUEIE-QHCPKHFHSA-N 453.451 0.660 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1834947653 AQNQRVRXHBDWRQ-MQNAVGNWSA-N 466.579 0.474 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835675577 WVBYOESXPYGPDL-CLOONOSVSA-N 489.617 0.516 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)N4CCOCC4)CC3)CC2)c1 1836124495 LDMMZTJHHNDAGB-VWLOTQADSA-N 485.585 0.403 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)[C@@H](O)C1 1836769360 LBTFDWUBHXJPSY-GKVQRAMASA-N 494.589 0.755 30 20 JCED COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c(C#N)c1 1837117302 ZMIJOUMKTSALLI-NRFANRHFSA-N 497.552 0.706 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837170141 KECFPZVPCCXUCF-JOCHJYFZSA-N 457.487 0.309 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1837390847 DMEOZNIPTSWZJT-CYFREDJKSA-N 456.543 0.906 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1837393173 MUIDLRYDTRMCNC-HTAPYJJXSA-N 465.572 0.507 30 20 JCED Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1Cl 1837490770 PBIMMWKPBWJHFR-QFIPXVFZSA-N 464.950 0.842 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1837524369 AGFUCPBMCBJCFR-GCJOCQGHSA-N 495.573 0.951 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1838018061 MMOJWKIBGVVIQW-UHFFFAOYSA-N 477.539 0.326 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)N4CCOCC4)CC3)CC2)c1 1838402007 GQVCYVWDHSHMHG-RUZDIDTESA-N 486.569 0.830 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)[C@H](C)O3)CCO2 1838586110 XUHLEIGPWNRFFB-UEECBTJFSA-N 498.536 0.334 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838653470 JPNRQYUSOLKSSM-QHCPKHFHSA-N 452.467 0.808 30 20 JCED CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838742446 FPTOSVLOTZKFIG-XMMPIXPASA-N 465.510 0.972 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1[nH]nc3c(Cl)cccc13)CCO2 1839045878 XCCQQLHUPLFYKV-OAQYLSRUSA-N 460.874 0.303 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131699 UFKPHGDITKXIQT-JOCHJYFZSA-N 479.555 0.000 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)c1ccccc1F 1839234221 ZOJACDKENOMSGN-VWNXMTODSA-N 472.517 0.937 30 20 JCED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486327 UAUUCMXQFPOIKL-UYGSHGSRSA-N 455.515 0.912 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCN5CCOC5=O)C4)C3)c2c1 1839488247 GWHGCIZCLRUBOR-QHCPKHFHSA-N 482.497 0.347 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(C#N)cc5)C4)C3)cc2C1 1839621965 DAZIOTSDYMVHML-RUZDIDTESA-N 478.553 0.974 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839655199 KVUUXSPEADGANZ-OAQYLSRUSA-N 463.535 0.251 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718483 XICMEVCPDKEQEA-WZONZLPQSA-N 474.514 0.981 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C1)C2 1839738748 GDXKHWBZVDRZNF-ZMPRRUGASA-N 480.587 0.397 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C1)C2 1839739367 AIMBEFZYKUUSBE-AVRWGWEMSA-N 499.568 0.772 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839861661 FFHMGNABSLUBQT-KSFYIVLOSA-N 468.551 0.178 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840019088 QFZSMLDTXDVDDY-GNVZTASGSA-N 462.547 0.859 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CCO2 1840090547 XGZTUYGXJOTYNH-OSPHWJPCSA-N 495.573 0.701 30 20 JCED CC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110420 KVRRIEZZXZDMKI-WJONJSRFSA-N 489.635 0.815 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)C2)C1 1840174597 MYYZFQXBHMFMOM-VAXXYWNWSA-N 494.589 0.391 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1ccc(O)cc1 1840222336 KYZDOCNYKVFUIC-AXJZPPOTSA-N 471.554 0.068 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1)NC(=O)OC(C)(C)C 1840322942 GFMNRNQNKVNRDI-UZUQRXQVSA-N 498.577 0.658 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1)NC(=O)OC(C)(C)C 1840795724 YJZQKZZPCSFXIY-AOMKIAJQSA-N 478.550 0.734 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nc(CO)[nH]c5c4)C3)C2)CCC1 1840813902 CVSRYFZQNHFEMX-QHCPKHFHSA-N 453.499 0.819 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1840819135 RIYSQDPZJJJCQW-DEOSSOPVSA-N 465.510 0.816 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)COC)C2)C1 1840906427 BJXCIADORAWWFS-STSQHVNTSA-N 467.563 0.642 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1840908345 JQJARJWJIFZYJH-NTKDMRAZSA-N 480.606 0.700 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1840909358 RZROYQFZQZIZJA-DQMJNTIXSA-N 478.590 0.502 30 20 JCED O=C(C#CC1CC1)N1CC2(CCCN2C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1846905790 MKUYOUSOVNTLPM-UHFFFAOYSA-N 457.552 0.938 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848128644 JHOQWRNGNJOGMD-QAETUUGQSA-N 475.546 0.483 30 20 JCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc(C#N)c1 19165550 ZPEICJRWDVPEJO-GOSISDBHSA-N 479.536 0.822 30 20 JCED C=CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(OCCOC)cc2)c1=O 501256302 GYZGUZSAGNGVQH-LJQANCHMSA-N 469.563 0.919 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCNS(C)(=O)=O 524281287 PFBSSHZMQRSHQB-UHFFFAOYSA-N 451.545 0.716 30 20 JCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c1=O 524281359 SBKCZCYOGIUNTO-UHFFFAOYSA-N 453.611 0.947 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCNS(C)(=O)=O 608912037 ATIBCMZJDDXJFQ-UHFFFAOYSA-N 476.624 0.495 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)c(F)c1 839356833 BIHZBXVHPSIGHD-CQSZACIVSA-N 455.515 0.734 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc4c(c3)OCCO4)c2=O)cn1 839371741 ZAKWAAWXMKPBSP-UHFFFAOYSA-N 463.519 0.529 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 886321293 ZVQSPSUZHXVFMP-ZLDLUXBVSA-N 459.908 0.407 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(=O)N(C)C 918730204 RJKGFTQMZPLAJA-UHFFFAOYSA-N 481.397 0.627 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)o1 919316076 REVUXERYYOCKIH-UHFFFAOYSA-N 471.495 0.533 30 20 JCED CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)c1=O 1515784416 BBMZBJKIWRBGBW-YJBOKZPZSA-N 474.591 0.295 30 20 JCED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1610112024 LGVJPZRQMSIDND-UHFFFAOYSA-N 461.548 0.335 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1 1632647527 QMBLLZXAANTNNW-SFHVURJKSA-N 454.574 0.690 30 20 JCED CN1CCN(C(=O)CCNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1665604709 UBRWXSMTJRIHLF-UHFFFAOYSA-N 450.547 0.944 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1710885287 ZMAVIXTVULKERF-UHFFFAOYSA-N 495.631 0.570 30 20 JCED CC[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1743488698 XVBMKTSGXJKHLN-DYESRHJHSA-N 459.576 0.934 30 20 JCED CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1748056277 XYPMRVQWRBMBOA-HXUWFJFHSA-N 485.614 0.994 30 20 JCED CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1)S(C)(=O)=O 1765218142 UVCYWLFBWIEMKD-GOSISDBHSA-N 475.575 0.440 30 20 JCED CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CCOC1 1769781232 IVSACERTUDLTPS-HSZRJFAPSA-N 470.530 0.829 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2)C1 1778975424 ZQFLNUOCYLBKNV-UAVUOLJFSA-N 497.589 0.846 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)no1 1779126785 YAGMFGCIDDSLNG-HSZRJFAPSA-N 477.481 0.605 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779132684 HSKOTKQOCBIPHL-MASFHBNTSA-N 482.537 0.708 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780061912 ZSXPSMBNSGJHKK-XMMPIXPASA-N 465.510 0.232 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)CCO3)C2)c1 1780333733 BNOOXEYFCGVTAF-QFIPXVFZSA-N 463.454 0.636 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1781251786 ISRRWYKEUSAFRF-DRSNIGMVSA-N 452.552 0.810 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c1 1781966069 FSGDDXBQOZLJBB-HSZRJFAPSA-N 462.441 0.858 30 20 JCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1782184808 GLZHJICVNJIAKS-ZIACGZRISA-N 494.639 0.673 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783164986 IUOIQHMOKJGSJM-QQMNAOGKSA-N 464.563 0.812 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)=NO2)C1 1783454638 BFFNTTKCOGSVSB-JOCHJYFZSA-N 473.530 0.886 30 20 JCED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1783680463 BQTAUQGVNFDBLY-LNLFQRSKSA-N 468.558 0.551 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1783894122 IBAOUZVMYNHMPA-DMPWYTOCSA-N 486.635 0.896 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1784373408 KLRMDKOTRVVUDR-YKSBVNFPSA-N 490.524 0.349 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cnn(C)c3)C2)C1 1784577783 KKRMRHVRSKGNIQ-FDDCHVKYSA-N 459.547 0.709 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1785576988 KAHSKUQLXKURSE-NYHFZMIOSA-N 475.550 0.066 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)C1 1786697379 UZEKDPHNBRVTBC-TXTZMMAHSA-N 462.547 0.498 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1786892020 MUJYHBJYRXYHGR-VMXHOPILSA-N 493.605 0.125 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1787124576 CYQVSOMGEUGPRK-ATIWLJMLSA-N 450.536 0.640 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787151247 QJQMEUOOJXBQMY-WXRXAMBDSA-N 456.590 0.386 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788602167 LTTOIDCDOROIPG-YTUIBAPOSA-N 495.621 0.714 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)[C@H]2C1 1789706106 IXPWDIQSSCYUDU-WFXMLNOXSA-N 451.523 0.694 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1789953772 HYJNNFLYYDAIOB-BTWZCHHXSA-N 475.546 0.773 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1789956640 UDSMEYLBUSDCRX-FPXQBCRKSA-N 460.535 0.411 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)[C@@H](F)C1 1791072304 ACGMPGOCADMBPS-ADHGMGHFSA-N 481.521 0.649 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 1793602288 URDSQHSZMMYUAW-RJRFQMQXSA-N 492.573 0.070 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1793818375 JITILTKKMBKIAL-DFGXFYAUSA-N 457.593 0.771 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC(=O)c2cnccn2)C3)c(O)n1 1794490973 OBZCPPUGMQFZKC-OPOADAIRSA-N 494.552 0.718 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1795893609 FRSSHJJHOGDHLF-ONTMVUMWSA-N 471.620 0.901 30 20 JCED O=C1CCc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C/N=C/c3ccco3)C4)nc2N1 1796105619 TXDVZPMMMRADNE-CKSJKZRHSA-N 451.483 0.882 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2n(C)c1=O 1796998192 IYKLMQMGTWSKKK-CWPLJXCYSA-N 468.510 0.646 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1797709862 FFULKXQLFZXXDK-KPEUIFRASA-N 460.556 0.902 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797781387 ZRSQGDSWLDSGSN-NWDQVUITSA-N 497.592 0.454 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799196118 GQWUFHZVWJNCKX-VBRUWADQSA-N 495.573 0.313 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C(C)=O)[nH]n2)C3)c(C#N)c1 1799239058 VEDYLNQNXVIDPW-FAQVEIGNSA-N 451.483 0.938 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1799393505 LBFITHXYIURXAA-UGNRZPKXSA-N 499.572 0.570 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O)c1ccc(O)cc1 1801533195 WZEGCCZVPPYXSH-CROMWVBPSA-N 462.568 0.914 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2)NC(=O)OC(C)(C)C 1801930778 PHMXLGTZFFZWEG-YGTYGHESSA-N 463.535 0.311 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)O 1801958090 YZGBYOUDZDYWAV-KSWRQPAISA-N 468.551 0.811 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1801995620 CRVDREJPZXIGNF-FAQVEIGNSA-N 451.483 0.819 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1802114719 QTEBCMILNFBIHT-AWVBPEFHSA-N 472.542 0.924 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)C1 1802236323 VLNDMBKZHQGVJE-NUBYAOTGSA-N 490.557 0.924 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1807125530 SFDFCNDCYVTMAL-QKLQHJQFSA-N 473.530 0.418 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1810248778 TWGUWCXARHFWGZ-BVBHFADKSA-N 466.604 0.988 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c(C#N)c1 1812718020 YEWCYGDKXVNLLI-LVXARBLLSA-N 495.580 0.497 30 20 JCED CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1)C(=O)C(=O)O 1821715938 SEHSEXNSGFRUIP-INIZCTEOSA-N 459.503 0.643 30 20 JCED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)CC1 1825643920 VMONUBKEDPURGQ-FQEVSTJZSA-N 481.553 0.729 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827402211 RBVRLXHFRPEZJA-LJQANCHMSA-N 481.557 0.745 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828968571 VWCRBFCTBBXSEG-IHIDLJEASA-N 466.579 0.786 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCNC4=N)CCN3C(=O)OCc3ccccc3)C2)CC1 1828981793 UTDATCKVKXRYRY-RUZDIDTESA-N 493.568 0.582 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H](NC)C(=O)O)CCN2C(=O)OCc1ccccc1 1828989672 FSVHMNICCDPZTO-FDDCHVKYSA-N 456.499 0.134 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCN2C(=O)OCc2ccccc2)C1 1829202572 RUNQJAVHAXTPJF-QOAPGFADSA-N 498.580 0.200 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cnc(O)nc3O)C2)C1 1829263162 MFWSXLMEGYIREN-HSZRJFAPSA-N 465.466 0.587 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1829355931 DOYGXIPFDMORLO-WIOPSUGQSA-N 486.569 0.665 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cc3ccncc3)C2)C1 1829771033 BSTNYEJPHNAHGI-AGYOFZNMSA-N 456.543 0.575 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)CCO2)C1 1830885389 DRUYEIOEWBYXCN-VUMVONDWSA-N 493.557 0.060 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2)C1 1831136559 KBBYXVMKMOCJKM-YADARESESA-N 499.605 0.965 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)CC)CCO2)C1 1831191329 LXGRMGCSSYKTRC-HOOSLVGPSA-N 496.605 0.827 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)c1cccs1 1833031864 QNPWJVMGQADLAK-XMMPIXPASA-N 467.547 0.986 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@H](N)C(N)=O)CC3)CC2)c1 1834735544 XXFBDAVAJJHAKZ-NRFANRHFSA-N 470.574 0.345 30 20 JCED CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1835434755 LXLGIFQUJGRFNY-FQEVSTJZSA-N 468.432 0.735 30 20 JCED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)C#Cc4ccccc4)CC3)CC2)CC1 1835512427 HKEOXGXVJOJKJN-UHFFFAOYSA-N 479.625 0.774 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2)c1ccc(O)cc1 1835640314 PPIIUFMAVJDJOD-CPJSRVTESA-N 483.569 0.186 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835878345 SPOBMCSMJWVRGI-QFIPXVFZSA-N 487.586 0.625 30 20 JCED CN(CC(=O)N1CCC(N2CCC(NC(=O)c3cccc(C#N)c3Cl)CC2)CC1)C(=O)C(=O)O 1836129567 UTQXXHRXFVJUOL-UHFFFAOYSA-N 489.960 0.940 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836161467 IXFOFRLQBALRIB-CPJSRVTESA-N 486.569 0.997 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1837397172 RWTWRQNGVQSXIV-GAJHUEQPSA-N 457.531 0.681 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440789 YCNVLDSBEPOTKS-LTZZLEMGSA-N 493.605 0.924 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491107 UXBOKGZRZZFMJV-CVDCTZTESA-N 459.547 0.069 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(n4)NC(=O)CC5)C3)C2)c1 1838736112 JYUNYMLUCRNXJS-HSZRJFAPSA-N 464.482 0.550 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)ccc1F 1838805194 HADPFWVTBZGWRV-JOCHJYFZSA-N 458.446 0.490 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)ccc1F 1839187682 RCPBADIOZCKVLJ-OAQYLSRUSA-N 472.433 0.641 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839204471 RIQQCXMHAULHHJ-GAJHUEQPSA-N 480.562 0.412 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1839222862 CXHZAGQPPMIKGI-CKNGIIGNSA-N 491.545 0.250 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839420881 KRETUCRJGSCQNR-BGOLNKOXSA-N 451.520 0.926 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839424669 WBIRXNKXJCSVAK-OAQYLSRUSA-N 479.990 0.766 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)cc(C(F)(F)F)c1 1839443615 QMGJMBUDQMHLDW-HXUWFJFHSA-N 479.415 0.523 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCn5cncn5)C4)C3)c2c1 1839489483 YNAGCAOGTTZLML-JOCHJYFZSA-N 464.486 0.186 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1839671313 YERAWIRPFTVOCI-MZNJEOGPSA-N 481.509 0.958 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)CC)CCO2)C1 1839832180 MKODIVPRGXNZQZ-AOMKIAJQSA-N 451.520 0.339 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC13CN(C(=O)OC(C)(C)C)C3)CCO2 1840006960 ZSHRMSGDTSLPLM-WYEJZRMESA-N 491.585 0.738 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042614 FCNVLKDSDLCKOE-UUOWRZLLSA-N 493.557 0.711 30 20 JCED CC(C)[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840044410 WULHOESSLDYAMN-HXOBKFHXSA-N 481.546 0.470 30 20 JCED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840200022 SXIYMMWODWZYMO-XMSQKQJNSA-N 473.555 0.619 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840289621 GXQVHBMVRAJEBW-HJPURHCSSA-N 476.530 0.673 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840294904 SHXITTBMUXIQIO-CYFREDJKSA-N 481.590 0.912 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)no1 1840818806 YKGNIVKNBFDGPO-QFIPXVFZSA-N 455.471 0.328 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1841604200 DXRMYRVXHCAKSV-IAGOWNOFSA-N 479.578 0.570 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1)C(C)(C)S 1842910693 CXQHSOQMHUWGCX-OAHLLOKOSA-N 468.624 0.631 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 1843345830 JPJVJTPSNOKGIP-QWPQOLDESA-N 462.547 0.684 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1844160267 YAHQHPMPCZPZKL-KGLIPLIRSA-N 488.607 0.856 30 20 JCED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC 512803274 UDYCCDODOGQYOX-ZDUSSCGKSA-N 454.277 0.988 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CCN(C)CC1 518723420 ZCNOLQZRZKCLOO-UHFFFAOYSA-N 495.584 0.926 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3cccc([N+](=O)[O-])c3)c2=O)cn1 523858560 QWSDNPIISIXDPG-AWEZNQCLSA-N 482.522 0.678 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cnn(CC)c1 523859388 MJPGKAGNGMLVKB-UHFFFAOYSA-N 452.540 0.556 30 20 JCED COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 551687145 HEKSLCVXANKJCY-UHFFFAOYSA-N 486.506 0.582 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)c1 604270114 GHOJLFATLGUKJQ-UHFFFAOYSA-N 498.605 0.585 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(N)=O 608911238 UXJAJPAPVOFJCF-UHFFFAOYSA-N 453.351 0.977 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(Cl)cc2)c1=O 608913057 QDMGJUOVOIRFMH-UHFFFAOYSA-N 480.999 0.238 30 20 JCED N#Cc1ccc(OCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 748134454 RJXCLCAKZHUYMU-UHFFFAOYSA-N 488.478 0.922 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 891312117 DEHMGOODPXGZNP-NSHDSACASA-N 492.348 0.931 30 20 JCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1=O 914830157 AIKMTVSZEWLDKK-MDOVXXIYSA-N 456.565 0.724 30 20 JCED N#Cc1c(Br)cccc1S(=O)(=O)NCCS(=O)(=O)N1CCSCC1 1186674767 NHIMLRLVPIMZRR-UHFFFAOYSA-N 454.393 0.978 30 20 JCED N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCS(=O)(=O)N2CCSCC2)cc1 1302989607 QBIHDXINTOYSGV-UHFFFAOYSA-N 461.573 0.132 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1360695310 TUWGZUVKBBNMDO-WMLDXEAASA-N 458.610 0.986 30 20 JCED CCN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)S(C)(=O)=O 1502183572 WQYDAOOZPGLEHP-QGZVFWFLSA-N 472.637 0.982 30 20 JCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1508238054 VWFPCGUOKVJUSD-GOSISDBHSA-N 457.560 0.767 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@H]1C 1519164520 JKIMPKKJDBDUGK-FUHIMQAGSA-N 470.596 0.529 30 20 JCED N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)N2CCSCC2)C1 1555984427 SZUXLXCCBSQFPK-LJQANCHMSA-N 494.578 0.746 30 20 JCED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1612657861 MDTAZPCBFUBPHR-OAHLLOKOSA-N 458.544 0.973 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1692567609 KKQXMOAPSXFJRQ-UHFFFAOYSA-N 459.576 0.508 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C)CN1CCCC1 1706814731 DICBTBFKVOHCSJ-ZIFCJYIRSA-N 464.640 0.797 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1710264857 OWUNXJYCNAWBKX-GPMSIDNRSA-N 456.592 0.356 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2[nH]nc3ncccc23)C1 1777908970 HYKHADOBVNXGNQ-VKTSEMSYSA-N 452.515 0.944 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1778785812 RLBRZKLUBQZKOG-RXVVDRJESA-N 453.612 0.932 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1779016213 QXDONWMROWUYGT-KURUZVKSSA-N 463.560 0.400 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779098160 CQJNWQUFUOMBKQ-LEYRTXEVSA-N 498.577 0.621 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780190091 ITPXMGUEQSXKNK-JXFKEZNVSA-N 450.879 0.720 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CC[C@H]3CCC(=O)N3C2)C1 1780603857 QPJKUPAELXMWBW-MWWAMKFJSA-N 472.586 0.760 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(CC#N)cc5)CCO4)C3)CC2)CC1 1781110214 MWTDQYVFMUUHCK-XMMPIXPASA-N 451.571 0.976 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1782469607 ZAJDYFRZZVPEMW-KKLQWCBXSA-N 467.530 0.484 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1783315117 XYNWUQMPVXETOF-SEPYTNNBSA-N 498.646 0.898 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)[C@]34CCN(C(=O)OC(C)(C)C)C4)CCO2)C1 1783901242 WTNQNLHKGDQBTC-QODMOLNLSA-N 496.630 0.508 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783913483 PWKNIQRMJQPGOG-CWBXHPNXSA-N 485.537 0.965 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)C1CC1 1784174188 HXLKADVXHAHVLN-FJIDUMEYSA-N 463.531 0.748 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1785596327 JSMJDDCKVTYHLH-OULKIGNDSA-N 464.563 0.810 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787435691 NFZPNPPHRSBGTM-JKQORVJESA-N 491.545 0.951 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(=O)(=O)N4CCCC4)[C@H]3C2)c1 1787503475 IIJKWOFGJRQLLP-FKBYEOEOSA-N 488.610 0.896 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CCN3C(=O)OCc3ccccc3)[C@H]2C1 1788122451 YYZXUOJATPWGHU-WIYBCGNWSA-N 469.538 0.761 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)C[C@@H]32)c1Cl 1789267645 SMIBEVBJPYOYSF-BPUTZDHNSA-N 459.890 0.357 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCn4cncn4)C[C@@H]32)c(C#N)c1 1789842588 FTLXCIRPYOMUAC-YYWHXJBOSA-N 452.515 0.771 30 20 JCED CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1792260889 VERFOYHUZQYMBK-QAETUUGQSA-N 451.520 0.748 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cnnn3)C[C@@H]21 1792266734 QBAVBODXXVQBQF-HSHCXIQHSA-N 489.577 0.683 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1792562387 YKVYJEAWMDSWHE-RHXYOOSCSA-N 464.563 0.759 30 20 JCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1793567834 HAVJSSWNSLMZJI-NXOAAHMSSA-N 497.556 0.803 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1793823760 UYDSPDMKJGOAQY-RCJHGTSTSA-N 485.603 0.952 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(O)cc1 1793946412 KPNFQSFBGNQERV-URORMGJRSA-N 468.510 0.077 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1OC 1794374291 PIBXOSJUPSBJLU-YVSFHVDLSA-N 473.530 0.605 30 20 JCED CC(C)(C)OC(=O)NCc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1 1794427736 JHMXELXUZBMGSU-CWPLJXCYSA-N 472.498 0.398 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796446491 WAIWANQZDGQDRI-MOONLULJSA-N 451.501 0.141 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)C3)c1 1798694867 NIGWLUQFZRMIGJ-HUMDQVGNSA-N 463.538 0.725 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799350193 LEXXLUAYSZYJJC-UYTYNIKBSA-N 455.552 0.443 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12)N1CCN(C)CC1 1799884434 JPUKAALULDZUOD-JWVYWZTKSA-N 465.558 0.274 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn(C)c(CC)c1I)C2 1800451972 QTVWWFIQDLJWIS-QHBPRCKVSA-N 456.284 0.424 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)C(F)(F)F)c1 1801034745 HODGHQJGQKFWSE-XOIINTDNSA-N 454.405 0.449 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1803549489 YZZRNWNZIPQCCF-RZFNWQHOSA-N 455.559 0.290 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803918779 VWJLYNKRMAESPD-SPEDKVCISA-N 454.527 0.976 30 20 JCED CN1CCN(CC(=O)N2CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)CC1 1807144625 CBODONXTPOXSNL-RBBKRZOGSA-N 455.607 0.617 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(=O)n5[nH]nnc5n4)n[nH]3)c2c1 1817816379 IHPLRAMUNIZFON-MRXNPFEDSA-N 498.467 0.903 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825332166 YYEBRWZNHDOYAG-INIZCTEOSA-N 473.555 0.292 30 20 JCED CN[C@H](CC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1)C(=O)O 1828572290 NZAAIMHAXUVLKI-QFQXNSOFSA-N 496.564 0.915 30 20 JCED Cn1nncc1C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828804162 FQMSHQHAKDMSCC-QFIPXVFZSA-N 451.487 0.794 30 20 JCED O=C(CN(CCO)CCO)N1CCC([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828916145 IUFJBVWMMQFWDR-DABWLCNRSA-N 451.612 0.364 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)cc1 1829632396 TXDKJDUKYOFWHX-QFIPXVFZSA-N 468.470 0.892 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC[C@H]5CCC(=O)N5C4)C3)C2)cc1 1829906021 QQZAQWXTZIAZFR-AOJNWGRGSA-N 480.565 0.958 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1830465312 CDAQFAIFYBDBMV-JOCHJYFZSA-N 461.902 0.600 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830469671 DKWJGRBSMLBGPA-CVDCTZTESA-N 459.930 0.769 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1830472633 QLTARMMUVABIPF-QFIPXVFZSA-N 457.918 0.830 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1831404504 PSDSEINYUAUTOI-UUOWRZLLSA-N 474.510 0.347 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1831421487 KDJJUKOIPZTHKC-AUSIDOKSSA-N 480.583 0.898 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC)N(CC)CC)CCO2 1831658402 FCHBZMJXPAGKKQ-SXWFDJJXSA-N 450.580 0.422 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)on1 1832574960 GQUJMZWJRXZUGN-HSZRJFAPSA-N 454.483 0.933 30 20 JCED CS(=O)(=O)c1cccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1833174034 XXXVBVRWDJECED-UHFFFAOYSA-N 461.540 0.363 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1833198763 HLEHADVLMOIRJY-QRZWHDCESA-N 463.535 0.505 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1833485251 OWKQGBSYSPQVPQ-QGZVFWFLSA-N 471.620 0.748 30 20 JCED N#Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)cc1 1833762642 RDSAKPHRSYHVPS-OAQYLSRUSA-N 480.569 0.661 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833840291 LMXLNYHXIHAQJY-ZHRRBRCNSA-N 478.550 0.355 30 20 JCED COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1C 1834579404 AUFQFPJCWUATDE-HBAGGBEISA-N 459.547 0.940 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835122267 CPQVYLNUDQPNNY-KTUMRIBQSA-N 465.595 0.954 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC#N)CCO2 1835351953 GVFHUMNJZIMLJF-QFIPXVFZSA-N 468.551 0.678 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)c4nccnc4C(N)=O)CC3)CC2)c1 1836124487 KTMFCHCGLRDSDG-UHFFFAOYSA-N 491.552 0.955 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1)CCO2 1836621570 LDHWZKVVNGPPAW-JKSBSHDWSA-N 453.511 0.671 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)CCCNC5=O)CCO3)C2)c1 1836780979 LSWQDSQZBCDPCC-DEOSSOPVSA-N 496.499 0.411 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1837393656 YESDSDRTWWOXLQ-WZONZLPQSA-N 462.547 0.164 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565758 ZYFYAOKQQGMYTI-HLESVKLYSA-N 451.476 0.717 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c1 1837793022 SXKOVUVFMBRWOG-QFIPXVFZSA-N 468.470 0.892 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907266 IKPBKKXERBIMEW-UZUQRXQVSA-N 450.499 0.919 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1839101579 QRENALLINLITSM-QFQXNSOFSA-N 483.613 0.583 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839124333 YJZVXCCFIWDRHL-QFWMQHCXSA-N 478.590 0.502 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839388247 LLXOOYVMHJUNBD-XMSQKQJNSA-N 453.536 0.480 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839422388 QGRSNVWBVVFBJN-HSZRJFAPSA-N 454.458 0.989 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452615 MRPSEMGQAHAXFA-XUZZJYLKSA-N 487.509 0.432 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839877266 PAKSWDYAUBHPDJ-RNODOKPDSA-N 483.447 0.567 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839959449 KHIISKAWOFRPKS-ZTNDBTQUSA-N 455.511 0.759 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(C#N)cc5)C4)C3)(C1)C2 1840005900 ANAMTEJFNDRGAZ-KXTRFFEISA-N 453.495 0.972 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(C(F)(F)F)n1 1840043296 PSMZXAQNJYDCJX-IBGZPJMESA-N 471.388 0.267 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cnc3ccccc31)CCO2 1840100484 NCNCYGTVPBGQFZ-IBLIISRWSA-N 467.526 0.351 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1840107999 BPPWWDOFVJQXRV-MFEFFIJZSA-N 482.578 0.424 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1840157903 DOIPUAOIROMVDX-NYHFZMIOSA-N 461.540 0.447 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1)c1ccc(O)cc1 1840220256 FFONGSTYWQVXDE-YADARESESA-N 457.527 0.611 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)cc1C#N 1840233439 UFDSHOXRXUGCCI-DFBJGRDBSA-N 484.553 0.942 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2)c1cccs1 1840379936 GSDUIEMVXBZDJT-YADGQWAMSA-N 477.568 0.854 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1cncn1 1840420837 YGQVGGJXCBSGNE-OPAMFIHVSA-N 456.478 0.549 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840473962 CYGSGBPSULUYJO-HYFFOGBASA-N 493.565 0.160 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)nc3)C2)C1 1840907277 SRECDUKNSYCFOE-DVECYGJZSA-N 487.557 0.772 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1842911771 UWAUVFYMNHAKLH-PTZPRWATSA-N 450.584 0.904 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)(n2ccnc2)C1 1845870162 REPPXRYLHAWDLC-HSZRJFAPSA-N 471.514 0.511 30 20 JCED COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C)c2=O)cc1C 409953328 TWRNKFWIHUXQFM-UHFFFAOYSA-N 455.536 0.741 30 20 JCED CCOC(=O)C1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 490171528 FHOSTHZVXYSXCK-UHFFFAOYSA-N 470.573 0.384 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c1 589160547 WDORUGPMZURTQD-UHFFFAOYSA-N 493.607 0.212 30 20 JCED C[C@@H](c1cccs1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccncc2)c1=O 608829574 AWZCSIZWUZWVDJ-KRWDZBQOSA-N 495.630 0.927 30 20 JCED N#Cc1cnn(CCOC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)c1N 729806738 NWCVATZDPQTSAC-UHFFFAOYSA-N 484.332 0.977 30 20 JCED O=C1C(=NN=c2nc3[nH][nH]cc-3c(O)n2)c2cc(Br)ccc2N1Cc1ncon1 731154900 JATPXMNYVBFWMR-UHFFFAOYSA-N 456.220 0.941 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1ccccc1SCC(N)=O 746150268 KEVYRXZELCJQGD-UHFFFAOYSA-N 462.509 0.596 30 20 JCED Cc1noc(CCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 915450966 IHKIOTPCCPIQLQ-UHFFFAOYSA-N 461.500 0.649 30 20 JCED CC(=O)NC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCCC1 920534626 URSGPVLXEKLMSD-UHFFFAOYSA-N 476.555 0.773 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn([C@@H]4CCOC4)c3)CC2)cc1 1185155552 WHCZLWJTIAGRID-MRXNPFEDSA-N 451.530 0.411 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1300901037 WGMWTYJSURCTNB-UHFFFAOYSA-N 467.530 0.550 30 20 JCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)CC2)cn1 1468974692 YLDMKJUWNPDLJJ-QGZVFWFLSA-N 459.532 0.703 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c1 1472481222 MBNNIIIWHQLSEE-UHFFFAOYSA-N 455.540 0.297 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1503377437 QSMMFFPWRYBAJN-UHFFFAOYSA-N 476.545 0.180 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CCO1 1541082626 JRENXOZUWURMMV-IBGZPJMESA-N 455.519 0.595 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1554303401 JICFMBGCQCCDKF-UHFFFAOYSA-N 461.548 0.051 30 20 JCED COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1555211326 ZZECIRITUPVSSG-XMMPIXPASA-N 483.573 0.527 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCSC2)C1 1555813817 SQFPTGLKYLOGGI-PMPSAXMXSA-N 456.594 0.483 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCS(=O)(=O)Cc2ccccc2)CCO1 1555993428 OGMBXVBDRRFWNV-RBUKOAKNSA-N 493.611 0.914 30 20 JCED CCC(CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1613508730 RSRUPJVAZUFYFP-NEWSRXKRSA-N 483.639 0.754 30 20 JCED N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1620348285 QTPNWHLXAXRSRY-RBUKOAKNSA-N 453.471 0.988 30 20 JCED N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)nc1 1636787303 ZJPALFWOCVCVRZ-DOTOQJQBSA-N 450.904 0.926 30 20 JCED Cc1cscc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1693334528 KRTXQLRPFZEGPO-HZPDHXFCSA-N 452.562 0.758 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1695940214 UVBYAZWWPJHAQI-MHECFPHRSA-N 483.573 0.527 30 20 JCED CSC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1712757411 OTHJENFMTDADEY-QAPCUYQASA-N 488.611 0.965 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OCCN(C)C)cc1 1723956805 RQWLEPUIHCTYFT-LPHOPBHVSA-N 477.591 0.606 30 20 JCED CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1727423543 QDBXBSXKBNUWOL-UWJYYQICSA-N 461.544 0.698 30 20 JCED CC(C)(C)OC(=O)NC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)COC1 1741218228 HANKBRYCXMBRAO-OAHLLOKOSA-N 461.523 0.423 30 20 JCED CCOc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1767641919 QLVPWCNFXBWVTB-YJBOKZPZSA-N 474.591 0.907 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C1 1778085044 PSZBFENNPRIKLK-XJWYWRJQSA-N 480.587 0.812 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778790274 PEJCIOACVFTVMI-ZMPRRUGASA-N 484.550 0.350 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778950873 NMMOWIIYFMGAKH-DGGJZMOXSA-N 481.594 0.993 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779322790 NASAUKUWZJERND-HJOCRKTISA-N 494.589 0.437 30 20 JCED CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC3(O)CCCCC3)C2)CC1 1779397423 KKCIKKKYNYCWHI-ZJSXRUAMSA-N 460.619 0.446 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780181097 PCAIKZZNUVXRAV-TVTNDZMWSA-N 461.519 0.857 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780934054 OETWMYMUOGZBLR-JBMWNJKUSA-N 471.539 0.434 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781111259 JUOYEKWDXYDYSY-MIVHDCIWSA-N 465.547 0.082 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1781148617 FVUCTJFULDXMDG-KSFYIVLOSA-N 450.536 0.211 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1781294289 JJCFFHPUKDBJPV-HTAPYJJXSA-N 462.551 0.968 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781338722 KVNSBUGGHGXSJN-HXOBKFHXSA-N 481.594 0.374 30 20 JCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)CCC1 1781562231 AZJTZSUNDDBCKD-VGOFRKELSA-N 457.487 0.964 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC)c(OC)c3O)C2)C1 1781820946 DLAFPDIDEYUMOM-YLNCNTMDSA-N 459.499 0.711 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1784442414 FDJJSRUYDRHVRL-LWUMGNCSSA-N 454.549 0.006 30 20 JCED C[C@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21)C(F)(F)F 1784872721 HRAUHELVAKLBFD-YFBYITSOSA-N 468.322 0.635 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1785383829 ZPXGLHPUSKQZBG-JOCHJYFZSA-N 453.455 0.342 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785587881 ZEIMWKPOZWZKQM-UDTPNQRGSA-N 465.572 0.652 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1785594585 VJJJLRDCNMCFOZ-QQTNTEGQSA-N 488.541 0.999 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)[C@@H](O)C1 1788250684 YZSGYLJMLYIUGF-IUUWJXCHSA-N 464.563 0.888 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1788574629 GWGDSPOEJFISHT-MGHWNKPDSA-N 455.511 0.988 30 20 JCED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21)c1ccccc1 1788707249 CULCBNWZFDJCCF-IWFBPKFRSA-N 489.536 0.603 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCNC5=O)C[C@@H]32)c1 1789256024 VMJRIOOVGNIVES-XERREHJYSA-N 478.509 0.414 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)[C@H]1CC[C@@H]2CCC(=O)N2C1 1789768823 KMSWNSCUQRGLTI-PFTOCKDSSA-N 476.574 0.896 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1789890502 YCIQGMRZOUUAGM-MRHSLFKSSA-N 488.541 0.482 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCN(C)C4)[C@H]2C1 1790524553 PFLOWJKGESIGMO-CUWPLCDZSA-N 473.574 0.821 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]4CCO[C@@H]43)C[C@@H]21 1790793362 ACBXCSAVJALRDN-SFCTXJNXSA-N 461.559 0.871 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21)C(C)(C)S 1791192286 UPUMMVVEUSKULV-NBOOPKSLSA-N 496.634 0.860 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)n4cnnn4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1791692305 OUROCBQTIQCKAC-VMXHOPILSA-N 489.577 0.779 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)SCC(=O)N3)C2 1792488533 HRQSTXULRLZAES-JLRLZTEKSA-N 470.551 0.792 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1793347239 AEMUZWVJSVKHTD-AWJHCHFGSA-N 499.564 0.386 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O)C2 1793349653 FSUYAIZTMZGRCX-ZGNLYJAISA-N 459.518 0.501 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1793832127 VTMAKWUBWBRDEI-XGUBFFRZSA-N 486.533 0.534 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599730 FJLNNUONKFNSRQ-XMTFNYHQSA-N 481.594 0.134 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O)NC(=O)OC(C)(C)C 1795645476 HVRCJJGOAQLZIL-WFNPHZEWSA-N 482.578 0.498 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nc(C)no1 1795813843 YBCLUAMQZYOGTE-RCJHGTSTSA-N 463.535 0.980 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1797119938 KFTINNBNHILLMQ-DAUOMPHXSA-N 481.590 0.785 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccn4c(O)nnc24)C3)ccc1F 1799325292 ISSSGPQDIBAJQI-CWPLJXCYSA-N 464.457 0.892 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cncn2)C3)ccc1Br 1799708220 NMJJEYYOGJUBEV-JLVBRIDZSA-N 459.304 0.816 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1800024481 NWLJQQZUDGTQJF-MHORFTMASA-N 492.573 0.864 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCS2(=O)=O)c1Cl 1800393037 PANCPHOIMWSVGC-KPEUIFRASA-N 451.932 0.992 30 20 JCED O=C(CCNC(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801951712 RVNNCLLHERZPMT-ARDWUEEWSA-N 472.542 0.925 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1802016285 AKJYTNFGOLMEDR-XAUFPCHMSA-N 469.604 0.651 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCCNC3=O)[C@@H]1c1cccnc1 1803549520 ZMLMAWZTQQQPQY-HGHGUNKESA-N 464.526 0.770 30 20 JCED Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)n(-c2cccc(=O)n2C)n1 1807742616 LWWWUALYDMYJMQ-KOSHJBKYSA-N 488.504 0.682 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1808423566 UMXLDSSDYVNIQR-JHGPDTEOSA-N 486.594 0.875 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1810100448 UAPGVFLKVRQJRK-YVWKXTFCSA-N 462.503 0.661 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]1c1cccnc1 1810558893 HYFRRMOHGBIUMS-ZKNFMFISSA-N 457.531 0.097 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)[C@@H]1c1cccnc1 1812874086 HSIJOLNABZCAGB-IUKKYPGJSA-N 452.511 0.967 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185371 PWTOUNOERCLURF-ALKREAHSSA-N 460.581 0.986 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814979638 LUNHYGNKKVXLGL-DZGCQCFKSA-N 450.565 0.488 30 20 JCED C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ncn4nc(N5CCOCC5)ccc34)sc2C1 1815916428 YNSHTWRDIGEFHR-ZDUSSCGKSA-N 451.512 0.881 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN(CCO)CCO)n[nH]2)c1 1822026361 HSOZVKACABOBQV-HXUWFJFHSA-N 470.530 0.882 30 20 JCED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1823079460 UHGSJBKZYRRWDV-UONOGXRCSA-N 471.605 0.586 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828521333 ZYHFRSGPYJNMLM-HXOBKFHXSA-N 461.515 0.340 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCN2C(=O)OCc1ccccc1 1828562787 MEZOFSXGNHZVPQ-HSZRJFAPSA-N 454.483 0.524 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(OC)n3)C2)C1 1829763919 FUPJNZQIEZCZID-NECUJFQYSA-N 472.542 0.338 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)nc(OC)c3)C2)C1 1829769505 WWOSIQVEOVBEHI-XSAUMEDDSA-N 478.933 0.672 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1829770067 CZSRXGSLSFGSGE-MWDRODJMSA-N 480.521 0.337 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnn4)C3)C2)cc1 1829908112 YCIVCTIFBNHDJW-QHCPKHFHSA-N 451.483 0.426 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1831221135 FODFCXZWGXVNPQ-GVUKDKGQSA-N 467.566 0.492 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H]3COc4ccccc4O3)CCO2)C1 1831228841 MXQDETHFRBZHKJ-UQBPGWFLSA-N 486.569 0.955 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccccc4[C@@H]3O)C2)C1 1831386941 CCGXZNDBWINKDP-RSPLEMODSA-N 456.539 0.777 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1831396247 IELBOVJSIXTQOJ-UUOWRZLLSA-N 457.527 0.511 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1831414140 RTXIQTSFFHKSLL-HXUWFJFHSA-N 471.601 0.286 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1832000257 JPBJCRQHDPVDLC-IEGUWTFLSA-N 467.563 0.949 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1832000259 JPBJCRQHDPVDLC-STSQHVNTSA-N 467.563 0.949 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nc1 1833647663 NXYQYCGRBNFWRN-UUVZMSSXSA-N 455.515 0.930 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)c(O)n1 1833698801 NJIGTOXXRCWCTM-VWLOTQADSA-N 498.536 0.999 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834859768 CRWFQXSGTBIREB-HXOBKFHXSA-N 481.546 0.313 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)(C)C 1835675347 ORAJSOFHBLUOAX-MBSDFSHPSA-N 465.595 0.275 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682394 FZIWZBAGGCRQGD-KKSFZXQISA-N 454.524 0.286 30 20 JCED COCCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1836551138 IFVWTYYIMFQZEM-SUGVQOHVSA-N 479.534 0.129 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1836859287 WPAHPHSPQXYBBO-HRAATJIYSA-N 466.531 0.518 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1837524279 DTFBLXQDZKBCMW-UCYCTBOASA-N 498.540 0.866 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528737 NZNOWXIATKXWTL-NKQCRJKHSA-N 453.536 0.545 30 20 JCED CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1)C(=O)O 1837868337 OJTHRAAAIYOZIB-SFHVURJKSA-N 451.568 0.330 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2)C(F)(F)F 1838503424 VGXGHHXRRWBENH-IBGZPJMESA-N 467.404 0.278 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc([N+](=O)[O-])cc5c4OCC5)CCO3)C2)CC1 1838525076 FEIFLWGBUCFHFX-JOCHJYFZSA-N 456.455 0.903 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1cccc(Br)c1)CCO2 1839054512 CNIWYTSXNHCDKP-MJGOQNOKSA-N 452.305 0.853 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1839130860 YGYYMSGEECGMHB-FHDOQAETSA-N 493.601 0.911 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)c(C#N)c1 1839132384 FGZURLJEPQTPFA-JOCHJYFZSA-N 477.539 0.384 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1 1839184983 JQDWMJOCAZZXCY-NTKDMRAZSA-N 499.605 0.965 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1839186034 WLVOYSGRRYXTST-YIGJPRQDSA-N 496.605 0.827 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)cn1 1839224754 OFPDGUUWZDTFFU-ZHRRBRCNSA-N 462.503 0.739 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(NC(C)=O)c(O)c3)CCO2)C1 1839473388 WAANXZMTLXYZPX-HYBUGGRVSA-N 475.542 0.994 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1839477162 ZZYXNSADDUWWSY-QFIPXVFZSA-N 490.513 0.813 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(O)nn5)C4)C3)c2c1 1839487585 OGPSMARWVZOKCJ-JOCHJYFZSA-N 463.454 0.314 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840169120 KRNZSFNWUGTGPB-JPYJTQIMSA-N 467.563 0.522 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)cc1C#N 1840763308 UYMLDFJTNKSEHA-QFIPXVFZSA-N 454.487 0.847 30 20 JCED CCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840818840 AIPBPGYZPLKGIL-QHCPKHFHSA-N 453.499 0.924 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840882114 AFJHXRUMJLPFJD-MWTRTKDXSA-N 496.561 0.449 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840906625 GISZEJWPAGFPCK-NTKDMRAZSA-N 488.541 0.307 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840906718 HZENWGQASKHIGX-MHECFPHRSA-N 487.557 0.392 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1840907591 YXIODNNIUNEJEV-NLFFAJNJSA-N 492.617 0.701 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840908896 RHMXGDPNWBXFDC-XFQAVAEZSA-N 455.577 0.678 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1841431161 WXKOJRUJFXIADP-XNOGWTHNSA-N 468.551 0.995 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCCC23CN(C(=O)C#CC2(O)CCCCC2)C3)N1 1845874112 USDKTWQJMGFFCL-ZWKOTPCHSA-N 488.610 0.069 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(OC)OC 1847696746 FFYNIVDGBWVPOL-JYJNAYRXSA-N 484.550 0.613 30 20 JCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 500040907 PPLPQFUQVRMWBA-AEFFLSMTSA-N 467.551 0.791 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)cc1 512434441 XLSIFRRAAGWKHT-KDURUIRLSA-N 458.540 0.956 30 20 JCED N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 514367842 BQUAFSXXASTAMJ-QGZVFWFLSA-N 455.378 0.888 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CCN(C)CC1 516831714 QPJHPOOJPMWOQI-UHFFFAOYSA-N 467.530 0.145 30 20 JCED C=CCN(C(=O)CSCC(=O)N(CC=C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 533811249 ACGNJSLJYXROPU-HOTGVXAUSA-N 464.631 0.123 30 20 JCED CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 560147080 KIRRKCDYEAGTAW-UHFFFAOYSA-N 469.523 0.732 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)c1 589159114 YMCBHDJXZQQFRA-UHFFFAOYSA-N 477.498 0.908 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 603454999 GEPVTYBOPWNQGC-UHFFFAOYSA-N 466.516 0.509 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)c1 608911554 JAINIBJUVGOLGA-UHFFFAOYSA-N 476.514 0.617 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CC1 728534925 XRUFWTVETUMRAK-UHFFFAOYSA-N 460.600 0.598 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CC1 728536360 XDNREDSWRQPJHY-UHFFFAOYSA-N 474.627 0.906 30 20 JCED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 729673186 HAFKRYKVQMXADD-UHFFFAOYSA-N 459.593 0.697 30 20 JCED C[C@](C#N)(NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C1CC1 748125457 GMKQAYXAFHUUAF-SIXWZSSISA-N 455.920 0.816 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(C(=O)C(=O)NC(C)C)CC3)nc12 798190051 HAOOSOGACHKXJJ-UHFFFAOYSA-N 469.571 0.992 30 20 JCED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1S(C)(=O)=O 831243789 OEBUITFUXMWAMP-LBPRGKRZSA-N 465.509 0.699 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)/C=C\c3ccccc3)CC2)o1 914683348 BBJDSJFOAPJDGT-GHXNOFRVSA-N 473.511 0.637 30 20 JCED Cn1cnc2c1c(=O)n(CC(=O)[C@H](C#N)c1nc(O)c3c4c(sc3n1)CCCC4)c(=O)n2C 916846931 IADPIDRGQMNTNY-NSHDSACASA-N 465.495 0.899 30 20 JCED Cc1c(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(=O)n(-c2ccccc2)n1C 916961438 QMZKYKOMTQHYPO-QMHKHESXSA-N 464.482 0.852 30 20 JCED N#C[C@H](C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917013535 LYQQBUMSLJTATB-GOSISDBHSA-N 484.494 0.450 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1CN1CCCC1=O 1288870096 MMRQVBLVCNAGRD-LPHOPBHVSA-N 487.586 0.788 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CCC)C(=O)C1 1539804507 XLHVIELYRRGMHP-HNNXBMFYSA-N 460.988 0.812 30 20 JCED CC[C@H](C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1545699635 ZRLAPIXMZYKJEJ-JZXOWHBKSA-N 463.608 0.662 30 20 JCED CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1552419795 WZDJDFLEGYJEQX-IAQAZVPISA-N 493.659 0.851 30 20 JCED C[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1693858895 RJNQDDWWIFSRCQ-NCOADZHNSA-N 454.553 0.012 30 20 JCED CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1729205423 JYXKKGWKOHIZLM-LJQANCHMSA-N 471.587 0.858 30 20 JCED COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1767944075 YFLLNYUYJWOBDO-UHFFFAOYSA-N 466.546 0.869 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)CC1 1778939400 HFJMKNKOFUCKEB-HSZRJFAPSA-N 488.545 0.233 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1779066387 UEYAZBNUVXSWDB-DEOSSOPVSA-N 451.527 0.800 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1Cl 1780188271 QKBICFHVLUXBML-JOCHJYFZSA-N 456.886 0.970 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1781168941 ZXFMAPWEMVDPCO-UZUQRXQVSA-N 464.563 0.601 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963242 FBUFFBHAHGSVRF-NPMXOYFQSA-N 466.473 0.749 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009584 PUBVTMTWAUSVIZ-YGKZAACZSA-N 477.514 0.167 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCS(=O)(=O)CC4)C[C@@H]32)cc1 1783440513 JTQWOIQFNVSWAE-FKBYEOEOSA-N 488.610 0.201 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783674530 YIQAUFOABNRKOI-XSLAGTTESA-N 481.594 0.707 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784461034 LFHAIUFCBLIXDP-UZUQRXQVSA-N 473.530 0.602 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cncn3)C2)C1 1784480455 IPYAOPBEODTOKI-HOIFWPIMSA-N 460.535 0.586 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1c(I)cnn1C)CCO2 1785422536 KBWPMJHOESSRQQ-KRWDZBQOSA-N 456.284 0.882 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)n(C)n4)[C@H]3C2)c(C#N)c1 1785591460 FIVUFIYRTMMKKL-QSFXBCCZSA-N 453.499 0.842 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785724518 DGPZDZVCWAGUDO-KOSHJBKYSA-N 495.573 0.962 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787511847 BVSUJHLVRGXGQP-YVEJANNUSA-N 492.550 0.962 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1790878150 FVMARDUJTNGWGQ-JKQORVJESA-N 451.474 0.786 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795409686 MXCOWBSBJKYTJQ-GYSAFQFGSA-N 482.603 0.542 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2)[C@@H]1SC(=N)NC1=O 1796430108 ZVSHLYSBCHOYMU-RYSTZINWSA-N 473.530 0.632 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)c2ccn(C)c12 1798430857 VWXIHAWNRLLNBS-CXMDPZGFSA-N 453.499 0.341 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1 1798485311 KQPSULRQWAIEEF-MUPNANLLSA-N 466.579 0.745 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C)cc1-n1nccn1 1798628586 UDFDTLMKZPPRMW-GUGIZKONSA-N 464.526 0.637 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799198705 ZBBJNYBNRYCWRP-ZBLLQYKHSA-N 482.578 0.605 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(OC)nn2C)C3)c(C#N)c1 1799239036 UDQPZZCTKSKAFG-FAQVEIGNSA-N 453.499 0.755 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C(=O)OCC)CC1)C2 1799305499 NGEDZCQJQCVBAT-OPVJXMOQSA-N 465.547 0.954 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800734787 VQDYZFJXBJQAON-BKOODQSKSA-N 465.554 0.768 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801983821 FGMHPEJLRQMWCV-MDMSPXHWSA-N 462.547 0.640 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801996021 ZFXWDOLKVZQUPT-TWWGPRNNSA-N 473.482 0.021 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C)C2 1802125602 JJNYDRJHCQMJGG-ZMMAXQRCSA-N 457.531 0.905 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1802139812 KRHZNRPXHOIMPO-PZPPHJHLSA-N 460.535 0.337 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2(N3CCN(C)CC3)CC2)[C@H]1c1cccnc1 1803549844 GKJHHHCHKJUZLK-HJNYFJLDSA-N 453.587 0.906 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1803600548 BMLLKFAIEWXBCC-COXVUDFISA-N 456.532 0.482 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804198111 MOOQGBUWSFFBEX-QFUCXCTJSA-N 479.603 0.619 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)CC1 1805953480 BYDVDULLLKAYJJ-QWPQOLDESA-N 454.593 0.404 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807153072 WGOFALOTMODONT-CEMLEFRQSA-N 494.600 0.840 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810333632 MSXLMXGYYMOQKI-GCJKJVERSA-N 476.537 0.989 30 20 JCED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1819949606 RTFBZJOQPGBEDO-FVUPAENESA-N 479.584 0.498 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821040779 HROYDRXHSIDXJA-NSHDSACASA-N 458.500 0.767 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1 1825664919 SAJAISRATUBVNJ-CYBMUJFWSA-N 461.521 0.789 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1)n1cnnn1 1828927605 XVOPJSCHYNSULU-FDDCHVKYSA-N 480.529 0.990 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(N)=O)CCN2C(=O)OCc1ccccc1 1829044559 HFPJZWYIYFPSRD-WZONZLPQSA-N 455.515 0.519 30 20 JCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1)C(F)(F)F 1829051227 YGJHBHHDULTODY-LAUBAEHRSA-N 483.491 0.843 30 20 JCED CC[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330584 LLGPPAFGQYBYQX-JPYJTQIMSA-N 457.483 0.297 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829517547 XZVFLOQVRYSUOV-FQEVSTJZSA-N 450.927 0.482 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1830425934 QCASVPUVEPVLOY-VWLOTQADSA-N 482.537 0.527 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830469604 BXYNAAYDIACRRD-PKTZIBPZSA-N 478.929 0.764 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1830882480 VDBCSRZGPQKGSN-OPAMFIHVSA-N 468.551 0.268 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1831410809 FAJBBYGGBRKOFF-QFIPXVFZSA-N 476.555 0.809 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)c1 1831463490 JRMLFPBLYZASDP-VGOFRKELSA-N 463.556 0.617 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831478220 PCHLNNJHEWBMTP-HSZRJFAPSA-N 460.506 0.611 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831491177 YYNXNPDLVUUSCK-NFBKMPQASA-N 478.615 0.943 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(O)ncn5)CCO4)C3)c2c1 1831737377 YRNXYNGXXIUMFY-JOCHJYFZSA-N 463.454 0.314 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1832003842 GEJHQAKASGPPEG-LDBYXDLTSA-N 454.524 0.285 30 20 JCED CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1833453940 KPDNLPCEAAVLLJ-HYARGMPZSA-N 452.577 0.705 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c(O)n1 1833699752 LIDCATJMPBYSNK-XXBNENTESA-N 493.582 0.553 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4cncn4)C3)C2)c(O)n1 1833699789 LVGZWKGSIIMUPI-SBUREZEXSA-N 470.530 0.829 30 20 JCED CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)c2C1 1833749706 IQMULIWKNMLAGD-QFIPXVFZSA-N 474.518 0.644 30 20 JCED NC(=O)[C@@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1834732320 PTRKCKAYAXTAOF-NRFANRHFSA-N 474.005 0.856 30 20 JCED C=CCC(F)(F)C(=O)NC1CCN(C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1836534530 RBLLSWAOZRFWTI-UHFFFAOYSA-N 476.590 0.500 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1837396466 HOWCZJNPEXYOGG-CPJSRVTESA-N 486.569 0.370 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1837484781 DUPLTXQMKACUMI-QFIPXVFZSA-N 462.934 0.899 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)n1cccc1C=O 1837527025 ILRVUQLRXRGBMG-XGKSKHPCSA-N 476.530 0.847 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837531840 XUKWOSOUGQCLHW-RTAJLIBNSA-N 465.463 0.522 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2 1837677973 LCOSDMPBONHPII-VGSWGCGISA-N 453.536 0.257 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)cc1 1837949849 YRPDUSJTKXBYGR-QHCPKHFHSA-N 465.466 0.625 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838431674 ZCFPGPBZASUTOR-DEOSSOPVSA-N 476.493 0.750 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cn2[nH]cnc(=O)c12 1838469236 FNQKMEIDQFFCRV-RUZDIDTESA-N 475.505 0.453 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCO2)C1 1838525757 HAIRWYKGWBQWMG-ZUOKHONESA-N 451.501 0.918 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)c1 1838582192 DSCIRPBJIQEDAI-DEOSSOPVSA-N 481.509 0.930 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2)C(F)(F)F 1838605286 WUWYESSTEQBVQQ-HXUWFJFHSA-N 497.430 0.867 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838791680 HKFJFYCPAVPEJY-MBSDFSHPSA-N 455.515 0.928 30 20 JCED CC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131338 WXLIMETTYQJZCY-MHECFPHRSA-N 494.589 0.755 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423160 ZWKGOKONSUMNOH-QVKFZJNVSA-N 483.974 0.962 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452614 MRPSEMGQAHAXFA-URXFXBBRSA-N 487.509 0.432 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488220 FAPGEWZHPJPEAV-NPMXOYFQSA-N 483.529 0.212 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1noc3ccc(Br)cc13)CCO2 1839617618 INRSDFPRVMWFRQ-FQEVSTJZSA-N 492.282 0.748 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1)c1ccc(O)cc1 1840220940 LFUMIQJNPHPNIN-GBXCKJPGSA-N 467.526 0.637 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)OC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1840322621 NXCPKPOEMLYGPO-SBUREZEXSA-N 496.561 0.364 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840431572 LEUZBWMXVIMLEH-RKACSRGYSA-N 463.535 0.505 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1ccnn1 1840820534 VONZUUVDZUKRTE-VGSWGCGISA-N 454.487 0.246 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840907121 PKRYNRGVZTZNFK-MWTRTKDXSA-N 489.529 0.169 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1847121892 QORYOOOOEPRJQG-QGZVFWFLSA-N 462.547 0.307 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CC 1847495560 QJHZEPNJXKFUCA-QAETUUGQSA-N 468.551 0.765 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CNC2=O)CC1 1848034178 WFXKSHQTBFJTJF-HOTGVXAUSA-N 488.545 0.281 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)cc1 514553504 XVQMWTJHXQQLDS-UHFFFAOYSA-N 473.555 0.980 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CCCSC)CC1 590995473 BJEDEIICSKQIJU-UHFFFAOYSA-N 457.625 0.725 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 608911481 HJFRLNQZOYZLSN-UHFFFAOYSA-N 493.501 0.844 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C1=O 726037076 NEGAEIUCZZEEAH-UHFFFAOYSA-N 462.890 0.504 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1=O 726042429 IVHMFXCFOPLQEC-HNNXBMFYSA-N 497.508 0.876 30 20 JCED COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 821794436 CNVGNAUNXBHUNH-AWEZNQCLSA-N 459.480 0.871 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)cc1 914564934 MPLOVPDAHPCWRP-UHFFFAOYSA-N 453.524 0.297 30 20 JCED CCC(CC)N1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 915583410 ORCLUEWYAKRRKR-GOSISDBHSA-N 490.582 0.971 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 916693329 MZGLKNWMCDFIJO-MOHJPFBDSA-N 476.559 0.454 30 20 JCED CN1CCN(C(=O)Cc2cccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)c2)CC1 1182903126 UKPRRHQTSQMULL-UHFFFAOYSA-N 455.540 0.792 30 20 JCED Cn1cc(N2CC[C@H](NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cn1 1222145725 LVHLSWSWEOEISE-SFHVURJKSA-N 457.516 0.113 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCSC2)CC1 1288986316 RRCCXIYROMTKCV-HNAYVOBHSA-N 470.621 0.609 30 20 JCED Cc1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)n1 1290021600 JQSHKGZFJDGNFC-PXNSSMCTSA-N 463.539 0.999 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1 1298327255 PULNAGAOSFUGBH-LJQANCHMSA-N 490.586 0.661 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1315054296 VZCCGVGPOAHPCB-LJQANCHMSA-N 467.530 0.692 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1503406959 RFNXKZCUQABMSU-ZWKOTPCHSA-N 457.560 0.956 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1540549305 JIXUJQOPJNEUJW-OXJNMPFZSA-N 455.540 0.596 30 20 JCED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cn1 1554929669 FOBWTQFRWUKCQS-PBHICJAKSA-N 460.564 0.517 30 20 JCED CN(C1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1)S(C)(=O)=O 1642233344 VNJQARNXQGHYIU-HXUWFJFHSA-N 451.568 0.890 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1696654192 SZPJSBFPAZMHLB-UHFFFAOYSA-N 467.530 0.394 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 1705687840 KJHKLUKMARJVPX-UONOGXRCSA-N 491.412 0.611 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCCC2)C1 1712707131 WQXZMXRQLWHCGU-HOTGVXAUSA-N 454.553 0.035 30 20 JCED COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1730302325 WDIGGXSBYNFSRO-SJLPKXTDSA-N 460.560 0.888 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCS(=O)(=O)CC2CC2)cc1 1731185256 WAINNYPNWKQYFG-UHFFFAOYSA-N 479.584 0.788 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1747427358 NVGOHUZXJSEVBO-SJLPKXTDSA-N 499.663 0.028 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CCO1 1750025140 QPHJYSJBKJJFAU-DENIHFKCSA-N 472.571 0.938 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)n4[nH]nnc4n3)C2)c1 1777824380 CZVNRXUBZCHDQW-OFJJYEOVSA-N 490.524 0.881 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)CCN5CCOC5=O)C4)C3)c2c1 1778159252 ORVPBEXMALIXMY-JOCHJYFZSA-N 452.471 0.720 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779440189 RUWMIXFELRXBPA-BYUHBYHNSA-N 468.576 0.540 30 20 JCED Cc1c(C(=O)N2CC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn2[nH]cnc(=O)c12 1780019718 OIQAJOUYRVUENI-DEOSSOPVSA-N 467.526 0.473 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337814 JSCUICWSRXIXMX-UZUQRXQVSA-N 489.529 0.786 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780362602 NBOQLEXFZYYXEE-NYYNQUPGSA-N 460.413 0.796 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)CC1 1781169879 BXNAULHPHJZBJE-HSZRJFAPSA-N 487.561 0.649 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1781263748 DKECDJGVVOLLTQ-HOYKHHGWSA-N 495.573 0.962 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1781356584 ZZNDSKKNJDDCGR-OPAMFIHVSA-N 450.536 0.786 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1781696432 XCTOQCUJEJCBFX-NFBKMPQASA-N 475.567 0.468 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(-c4cccnc4)c3)C[C@@H]21 1783530376 VRMDQDACWRMMRJ-IZBKYFJTSA-N 464.526 0.719 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C[C@@H]2OCC[C@@H]21 1783567443 PLKRVPGVFZLBEJ-REYXVDKWSA-N 491.541 0.319 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783836523 WKHIHWWCPMWIPU-JTSKRJEESA-N 485.603 0.558 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1783921973 QIZYPMHJYJCENL-IHPCNDPISA-N 454.914 0.928 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784593304 YCQZXGRZFMYOPO-XFQAVAEZSA-N 463.539 0.533 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1784784482 BUVRQWHVBWKTEE-FJIDUMEYSA-N 478.594 0.275 30 20 JCED Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)c(=O)nc1O 1785382271 VVLMYQJQWMGQGC-HSZRJFAPSA-N 467.482 0.038 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1785575127 YJOPJUQCAPKZIH-KSFYIVLOSA-N 461.519 0.667 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792237242 CYPHNEZKVFHIFB-JYJNAYRXSA-N 455.602 0.809 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])c(OC)c1)C2 1792489729 MZOSSTBAWNVXFZ-HJZKZARXSA-N 472.498 0.594 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C2 1792490432 VLWOGFAYCQXTES-RDFRRFRMSA-N 476.574 0.834 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2 1793353968 JFXLMSSTALKTNW-WERVVEIQSA-N 499.605 0.725 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1793355519 KCQXQVVYHHWUBH-AYMMHLMVSA-N 469.542 0.674 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O)NC(=O)OC(C)(C)C 1793948513 VFIGFCAUSXNVKF-PPLBCVRQSA-N 493.561 0.034 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)c1 1794090956 VPSQSWICIFJGIS-REPLKXPHSA-N 460.556 0.549 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H]1Cc2ccccc2CN1 1796327643 TVYARDGHMUVUHT-HWYGTKBXSA-N 456.543 0.820 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1)C(C)(C)S 1800529347 INDLBMOIHWYBRB-GFISCPRKSA-N 484.619 0.314 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)[C@H]2C1 1800723186 JSTBETIVFOVYES-JWXAEQQXSA-N 474.558 0.762 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc(C)c(O)nc2=O)c1 1801971868 FHWZQROYBNRWTJ-OPVJXMOQSA-N 451.483 0.341 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807354717 ROGLCKISAKTCJH-UEVKYXGBSA-N 494.512 0.661 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1810327803 QQROUFHFMYUMRP-XMSQKQJNSA-N 489.536 0.831 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1828579666 JEOBUPIAZQRVTB-CLOONOSVSA-N 484.553 0.742 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCN2C(=O)OCc1ccccc1 1828590308 WVIUJYQJJAWTQS-HTAPYJJXSA-N 455.471 0.461 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1)N1CCN(C)CC1 1828807992 DBIABFAQHMTEGI-LVXARBLLSA-N 496.612 0.988 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C(C)=O)CC1)CCN2C(=O)OCc1ccccc1 1829110818 YGWJMRONWXLXGX-SANMLTNESA-N 495.580 0.236 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829202273 GEWUNVFGZKZZDC-SKPFHBQLSA-N 469.542 0.465 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)cnc3OC)CCO2)C1 1829582806 HFEOHBNJEAIZBN-QVKFZJNVSA-N 451.907 0.852 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@]4(O)CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 1829673329 JVHQASPNAJZBRV-BJKOFHAPSA-N 479.574 0.781 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1829766155 NONHTOPMNKVIHC-FBQMEGEOSA-N 496.362 0.111 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c(C(F)(F)F)n1 1829949979 LISWXFMTFAFNTO-QKKBWIMNSA-N 495.458 0.568 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)CCO2 1831249014 KAKPGFPKRDTDDS-JLGINSKQSA-N 455.511 0.674 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1831397672 VNOUVBRFMVBTHN-JPYJTQIMSA-N 453.499 0.376 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)C1 1831402210 QMRGBGPURIENLI-FQRUVTKNSA-N 499.564 0.750 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n(C)n1 1833438941 VXIIZFTUVZKWDK-HSZRJFAPSA-N 453.499 0.613 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833468680 UWYRSPLGYLZZBS-QHCPKHFHSA-N 471.897 0.861 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(C)(C)C)n3)CCO2)C1 1833585906 YGULBIXRVZBMRL-QHCPKHFHSA-N 460.579 0.990 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(I)c(O)c3)C2)C1 1834767299 DLINYFHLBSSFDM-GOSISDBHSA-N 485.278 0.980 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)COC)CCO2)C1 1834974410 AMSQCTZBOZGASP-YKSBVNFPSA-N 475.542 0.960 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4C(=O)COc5ccc(Cl)cc54)C3)C2)CC1 1835338937 ZQXVBLBLZKQMQH-HSZRJFAPSA-N 488.928 0.826 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835513854 LGPSWEVWFRQNNU-ZHRRBRCNSA-N 499.634 0.929 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835620631 GWWNQYKAOVWQJM-UUOWRZLLSA-N 480.606 0.748 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642052 GXDVVDLIWYMTRA-IXFSTUDKSA-N 468.595 0.897 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1OC 1835680552 KQDQUTQVMPSOPN-QHCPKHFHSA-N 475.546 0.451 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835765472 KNKSHZFHUBOOKX-DMGJQLCPSA-N 451.568 0.599 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835844391 GREMPDPFXJUYLH-UXHICEINSA-N 452.596 0.282 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)n[nH]4)CCO3)C2)c(O)n1 1835851674 JMEOHPRFKCHBBT-QFIPXVFZSA-N 457.487 0.718 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837291769 QDMJKTXENKZLDP-MQNAVGNWSA-N 459.499 0.769 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1837400517 HKWYECLFUJPJKZ-SZUKKWSHSA-N 491.560 0.974 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1837432876 RTAYGTHRHOOSLM-HSZRJFAPSA-N 475.618 0.419 30 20 JCED O=C(NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1cccs1 1837440846 AYHHSIQOJQUCEJ-SGCYSOCQSA-N 477.587 0.406 30 20 JCED Cn1cc(F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837528196 AXNKLHSIZUYDFW-CCDLRZDJSA-N 452.483 0.763 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1837529736 DEMQTYTWIPLHEN-WEIACGKOSA-N 474.352 0.899 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837689394 WPOUOAUJUXFZPX-WZONZLPQSA-N 461.515 0.375 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838508540 CDTSZSRDVGMATM-HSZRJFAPSA-N 485.566 0.855 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)cc3-n3nccn3)CCO2)C1 1838629485 MFENVZJKAAEKLD-NTKDMRAZSA-N 467.526 0.684 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)c1 1838736343 ZEWJHSHUTWRLHG-XMMPIXPASA-N 476.493 0.749 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950867 KWDPURJQQGVKOV-YADARESESA-N 488.541 0.514 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(Br)c(F)c1)CCO2 1839803235 PUOSBGYAHKWCDL-HXUWFJFHSA-N 483.290 0.675 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(F)CCCN(C(=O)OC(C)(C)C)C3)C2)C1 1839810597 IDBUCCKMNSTJOQ-FCHUYYIVSA-N 453.511 0.815 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c(C(F)(F)F)n1 1839862835 BJYKKUDAXHNSES-LJQANCHMSA-N 469.420 0.308 30 20 JCED CC(C)(C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ncc(Br)cn1 1840040129 PDBKXAVBWOEJIE-HXUWFJFHSA-N 495.330 0.061 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(c4cc(OC)ncn4)CC3)C2)C1 1840166405 GWZFBOHIYMHHSI-VWLOTQADSA-N 485.585 0.962 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1)c1ccc(O)cc1 1840221091 WAUDJVTUPWMNKJ-RDPSFJRHSA-N 467.526 0.637 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)n1cncn1 1840415196 VKGXTJIPAVKORJ-WZONZLPQSA-N 452.515 0.800 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COCCO)C3)C2)cc1C#N 1840763808 SLWSPGUFJLCWHD-HSZRJFAPSA-N 461.515 0.424 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]3C[C@@H]3N1C(=O)OC(C)(C)C)CCO2 1840911852 NDUMCWJFQAKLRU-IFMYCSEXSA-N 491.585 0.879 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1840959565 XFUXLXRCYWKVNU-JPYJTQIMSA-N 465.547 0.492 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@H](NC)C(=O)O)C1 1842952434 RTJIUMUUVWGVFC-SJORKVTESA-N 464.563 0.949 30 20 JCED N#CCCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 11676762 OECLDUVWCBFZLG-UHFFFAOYSA-N 470.935 0.526 30 20 JCED CCc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccnn3C)c2=O)cc1 502057906 NRCFPVROGOANMY-UHFFFAOYSA-N 492.605 0.146 30 20 JCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 512661921 VTBYWYKZSQNEKP-UHFFFAOYSA-N 490.563 0.572 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@H]2C(=O)N2CCOCC2)CC1 514468577 YVHGWEMOGUVNIR-FQEVSTJZSA-N 489.598 0.104 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 518129436 JKQNYNCWNVEFSF-UHFFFAOYSA-N 456.480 0.801 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(C)cc3)c2=O)cn1 524023517 ZOEKWSQPFFEOGD-UHFFFAOYSA-N 462.531 0.973 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)c1 589159222 JVQLSWYKODYXRM-UHFFFAOYSA-N 463.471 0.518 30 20 JCED COc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)ccc1OCC(=O)N(C)C 603666116 QUIQHPHWTFRHIL-UHFFFAOYSA-N 474.539 0.971 30 20 JCED COc1ccccc1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccn2)c1=O 603791759 GRRHQTNEMCDMHE-UHFFFAOYSA-N 491.573 0.254 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(=O)N(C)C 604270492 SQRHVEHIBVMLHD-UHFFFAOYSA-N 497.556 0.137 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CC(=O)N(C)C 609220184 MCWNJRNEYYSFTE-UHFFFAOYSA-N 460.531 0.101 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O 725917717 DCVLIYNGNQXKOE-HSZRJFAPSA-N 498.517 0.981 30 20 JCED N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 728188804 OYPKIGMTQQTTCZ-OALUTQOASA-N 466.585 0.188 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CC1 728535667 CBYRRSYUTOZFCE-UHFFFAOYSA-N 471.377 0.207 30 20 JCED CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 749274649 KZIGMKIJNGTOFJ-OAHLLOKOSA-N 451.501 0.603 30 20 JCED C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 758311358 LQXTXLPJJDFRMM-HSZRJFAPSA-N 497.533 0.985 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 811833672 MMGOXFSRFRTHHG-HOCLYGCPSA-N 456.542 0.179 30 20 JCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 812744720 KUBMGWVUCKTBJK-LJQANCHMSA-N 458.496 0.880 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCCCN2c2ncccn2)CC1 914664293 XFMPRJCOTMMWER-IBGZPJMESA-N 498.565 0.783 30 20 JCED Cn1c(=O)c2ccccc2n2c(COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)nnc12 917942009 ZRULNNYEFLXANJ-UHFFFAOYSA-N 452.452 0.475 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)cc1 918290188 RLKZDAGQLFCKGM-XIEYBQDHSA-N 471.543 0.577 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 918609459 XGTOUNYWMUTYCA-XSAZEUPQSA-N 482.584 0.474 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919646645 HBHXUKDRQBLGIG-ZDUSSCGKSA-N 451.457 0.179 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 921168326 SRHZHFIWIHGFSJ-UHFFFAOYSA-N 466.497 0.215 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 1142570001 YNWFPWQUOLFTPS-CZUORRHYSA-N 454.599 0.702 30 20 JCED CC(C)(C)OC(=O)NC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)COC1 1302242448 UGVSFYJLGUBWOL-AUUYWEPGSA-N 484.554 0.916 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1COCCO1 1510215664 WFUHZRIKCXJHRB-FXAWDEMLSA-N 489.602 0.498 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697023020 CTNNOAUFPGYAPG-MRXNPFEDSA-N 475.575 0.688 30 20 JCED CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCOC1 1697227336 YTFNQZCGWDGEOY-HSZRJFAPSA-N 453.547 0.832 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1730764540 ZKYYAWKXHYAEEA-MRXNPFEDSA-N 456.569 0.283 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1741150443 IPPISUQIPLYQHD-QGZVFWFLSA-N 481.623 0.903 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769103748 WXICNRYEHVRHJC-MRXNPFEDSA-N 468.566 0.242 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778165135 OXJPABFNRJMTMG-UZUQRXQVSA-N 457.531 0.971 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4CCN(C(C)=O)CC4)C3)C2)c1 1778353933 DLSQALHWPVIWCY-DEOSSOPVSA-N 469.542 0.174 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778910118 HJBPTNLITSATQW-YOSAUDMPSA-N 464.607 0.238 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1778975352 GMPPZAKRZSMVLL-KXNSMUHISA-N 482.578 0.158 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1780124458 WBAPIEWLERLDCL-HMLKYZKVSA-N 457.527 0.750 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1781165998 JHKBGYJUIVPESR-LLJLJFOGSA-N 476.574 0.649 30 20 JCED COC(OC)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781167993 USDWCXYRSPQTEP-HSZRJFAPSA-N 480.562 0.976 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781969776 MQWGBXJXEQNNHK-VLIAUNLRSA-N 468.963 0.983 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc3nnn(CC)c31)CCO2 1783047374 ATKXZZGWVQAKFZ-HJPURHCSSA-N 472.546 0.595 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783568195 QOXJNMDTIVRDOH-GOTSBHOMSA-N 463.531 0.942 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)C(C)C)[C@H]2C1 1784192725 KGRIHECAZYTJHS-QXCZDIPSSA-N 451.564 0.900 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784337014 ORABFCRACPEDDY-JTSKRJEESA-N 462.551 0.968 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784506282 LJFJKXROWZRLFV-BCYZHJNNSA-N 469.579 0.833 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CNC4=O)[C@H]3C2)cc1 1784948690 AXFCDSVEPMQQGA-FHWLQOOXSA-N 453.499 0.022 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1785573008 UTPGWYPOMUVKJA-ZHRRBRCNSA-N 483.587 0.639 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1785575030 XAHZLKSCIZRDGM-UZUQRXQVSA-N 462.547 0.355 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787510781 CLPZMKJRQOCGJF-LWXWQKJCSA-N 464.613 0.951 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788255238 KBCQYLZCGVVONY-FPXQBCRKSA-N 460.535 0.411 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1788594116 TYDYSLRKUVAKAG-BPBCIEFSSA-N 465.667 0.668 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1789839285 MRXPFZXDRZKAII-HAGHYFMRSA-N 488.589 0.955 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 1789954211 WQOGPCJXDPYBAB-MRHSLFKSSA-N 466.560 0.879 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790328377 VAMRKJUNIPLPKE-UJNZZBMASA-N 473.555 0.709 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]2C1 1791142891 VMLYICSFAIOIJX-FKBYEOEOSA-N 486.606 0.645 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(CNC(=O)OC(C)(C)C)CCOCC1 1793203771 NREYDPYKVMMJQE-HAGHYFMRSA-N 493.601 0.936 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1793823426 NEHYZCZJLFOJHL-YYAJDYIMSA-N 457.593 0.771 30 20 JCED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCc3nc(O)nc(O)c3C2)c1 1794111022 AVSAPEHRYRUFHO-CJXDPKRBSA-N 481.484 0.907 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O)c1ccc(O)cc1 1795637850 OOWHMRSGFAYDFL-RZUKHUMYSA-N 456.543 0.072 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)COC(=O)C(F)(F)F)c2c1 1797655173 CTQKCHGVYFXHIV-DRXBFXEBSA-N 465.388 0.743 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1799680630 VMGBTDMZQCCAGL-TWWGPRNNSA-N 472.542 0.924 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1800337410 XPCCDLCSAFOETQ-LOHZADLCSA-N 490.626 0.525 30 20 JCED CCc1c(Br)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)nn1C 1800775657 AINDCPUAQBCAKI-CULMDFNYSA-N 453.293 0.036 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802087580 NZHDBIJOBZBSHR-MVJTYMMSSA-N 451.520 0.446 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1803914895 BFVOAJJFKAFMSQ-WRWMUQEYSA-N 466.542 0.874 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806078023 HPYVLRDXQLGXGW-OXFYSEKESA-N 452.515 0.932 30 20 JCED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@@H]2c2cccnc2)c(=O)nc1O 1810363014 DLQGYEOVIBMJAM-BQTRHBLDSA-N 498.540 0.887 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)CC2 1819707613 YXXSDZAAIOITTL-HUBLWGQQSA-N 458.606 0.956 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)CC2 1822925073 WRKSMAUOCKYXAD-CQSZACIVSA-N 484.600 0.990 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1823038250 MWFYXFSQDWOTLJ-NWDGAFQWSA-N 466.516 0.419 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N[C@@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)C[C@H]1CO2 1825669681 PTBWKUQUPKRCJC-IFMYKAFSSA-N 490.538 0.922 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828585140 QDJFYIDFNZSXLM-CYFREDJKSA-N 497.556 0.716 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1829351237 IWNIENKOZJXABG-QVKFZJNVSA-N 463.560 0.425 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1830214890 WNMPPRDXFUWANU-HYBUGGRVSA-N 474.558 0.467 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CCO2 1830385621 OHXZVEXZVRVLDB-UFNPPLJESA-N 487.619 0.681 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCC(=O)OC(C)(C)C)CCO2 1830798313 GPZYQKDFDBQVFW-DHSLYTQISA-N 479.574 0.813 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(c4ccccn4)CC3)C2)C1 1831397313 QQPRCYMTPPEAFG-CPJSRVTESA-N 470.570 0.793 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1831435731 XOBZEYVTWWWERI-MBSDFSHPSA-N 485.578 0.575 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(F)cc3F)CCO2)C1 1831961428 JUTPOXSJRQEAHB-NRFANRHFSA-N 451.474 0.712 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)c1cccnc1 1832724572 WMATZIVMIORZHO-VWLOTQADSA-N 496.951 0.973 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3csc(C)n3)CCO2)C1 1832971571 JUFQJRNMDQMZFZ-NRFANRHFSA-N 451.545 0.960 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2)C(F)(F)F 1833028999 ZEEZQRPAXXDNJS-RNODOKPDSA-N 486.447 0.568 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(N(C)C)c1)CCO2 1833364776 DMGHNKYSHNYIRG-HSZRJFAPSA-N 460.531 0.727 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833572821 OZGRTKASCXKMOB-NRFANRHFSA-N 466.466 0.362 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833613248 AEQKPAZULCUCQF-UHFFFAOYSA-N 460.575 0.856 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccno3)CCO2)C1 1834156245 SDJKVTBDOAYTRF-AOMKIAJQSA-N 462.503 0.661 30 20 JCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)cn1 1834530346 FCEUPGZVTDJVSQ-HSZRJFAPSA-N 451.483 0.935 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OC)c(C)c1)CCO2 1834574329 BVQUYRBCOPSBFT-IYZQMXKPSA-N 458.515 0.327 30 20 JCED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1834852434 QNZHSKOWSCLFLW-FNEOHHHZSA-N 450.513 0.897 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1835677329 NSOJCQRHBOXWEY-QFIPXVFZSA-N 460.535 0.017 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835752437 LAUCSPNGECUHNQ-DEOSSOPVSA-N 477.602 0.872 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cc(CO)on3)CC2)CC1 1835768274 WBNCRFXTLPYDKD-VSIOZEBNSA-N 463.535 0.881 30 20 JCED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836761827 IPLYPZWGYWRSEA-QQMNAOGKSA-N 479.530 0.034 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837242358 FEFHYUGZCYCUHR-ICACTRECSA-N 463.556 0.796 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837444095 YEROTPFLZPDIOQ-YQNSVDCASA-N 455.519 0.271 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837491087 UQIHBSSEWZCPNB-NSJZWROTSA-N 477.558 0.670 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(C)C 1837491749 XKYJPNPTKHWWRF-QPPBQGQZSA-N 464.559 0.729 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(C)C 1837491752 XKYJPNPTKHWWRF-ZJSXRUAMSA-N 464.559 0.729 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1837529381 SFTFNWIANQEMIS-ALUBYUQESA-N 471.514 0.933 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837533473 VZGZQDLEMDXHBH-GOPWYIOASA-N 477.562 0.875 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)no1 1837549344 QSBBGCBVFNNNLH-DEOSSOPVSA-N 481.509 0.549 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cn[nH]c4)C3)C2)c1 1838579087 BBTDIBGEVRAGSD-HSZRJFAPSA-N 453.499 0.993 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c(C#N)c1 1839132985 VVMSJVHLBVMDQS-DEOSSOPVSA-N 466.494 0.513 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1839173617 BNKZIURYLRUHPP-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1839175094 OZDLYCLGXZZSFO-HTAPYJJXSA-N 461.519 0.243 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839227672 IVAMSZPLYJHQFD-KNQAVFIVSA-N 473.567 0.313 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361400 IKIHRNFZPYZKIA-VGOFRKELSA-N 463.556 0.503 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1839421086 VGUUOZKAWNONTO-OAQYLSRUSA-N 457.466 0.100 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c1 1839451336 NVTKGODAPGDZHN-QHCPKHFHSA-N 452.467 0.650 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)c1 1839451906 VWATZJWCXAUJAA-XMMPIXPASA-N 456.543 0.659 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C3)C2)c1 1839451982 AURFCVLAHQNAAB-QHCPKHFHSA-N 499.549 0.402 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)C3)C2)C1 1839808599 VXFOSNHVAKKOAJ-KKSFZXQISA-N 471.501 0.968 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(OC(F)F)cc3Cl)C2)C1 1840041143 UIGIPOOMWTWSCO-IBGZPJMESA-N 473.816 0.494 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840042832 QEGGEBSTLBCBNW-UUOWRZLLSA-N 493.557 0.568 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(C)(C)C 1840043444 ZEJWBZLSWCKEEW-BXKMTCNYSA-N 495.573 0.860 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840055238 LYNKAEKARRFILJ-WAIKUNEKSA-N 494.545 0.203 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840088921 HAPOMBLKBPOCIB-IBKIDLIOSA-N 481.594 0.828 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1)c1ccc(O)cc1 1840219798 GQRFMHZZSATSQB-YADARESESA-N 467.526 0.788 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(F)ccc1OC)CCO2 1840248358 DXEPXOIDDWFBQY-POUSAUBHSA-N 475.517 0.692 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CC(c5ccccc5)=NN4)C3)C2)CCC1 1840815284 HLAJJGTVGYSNRQ-HYBUGGRVSA-N 451.527 0.903 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840843512 SCQBXVWTQZNPJJ-YZZKKUAISA-N 465.547 0.084 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)C(C)C)C2)C1 1840912780 QSGNBAILZXZZAV-HJOCRKTISA-N 481.590 0.929 30 20 JCED COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283299 MJOQMVLWOFMPJG-UHFFFAOYSA-N 480.602 0.975 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844298950 UYMMWEUDFIVDMU-ZRWGHTATSA-N 472.542 0.898 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1845201608 VSTYJYRFTAAIPL-HNNXBMFYSA-N 466.535 0.592 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 10097567 HQEDKCBKHYWTDF-UHFFFAOYSA-N 480.568 0.740 30 20 JCED COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 26075816 YTZSNXBSNINUIX-UHFFFAOYSA-N 492.579 0.630 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 31917644 UKZWNBCUYSWBQP-UHFFFAOYSA-N 462.422 0.975 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3CC[C@H]2C(=O)N2CCN(C)CC2)C1=O 508968311 KBTDMOVACBVAIP-SFHVURJKSA-N 453.499 0.085 30 20 JCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 512518944 DKQOSNZKVGOWKI-UHFFFAOYSA-N 490.563 0.572 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 517393314 MSUWOCXPHLOFQK-UHFFFAOYSA-N 490.513 0.133 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1C1CCN(C)CC1 520334290 PFIGWLKWALXYDO-UHFFFAOYSA-N 456.568 0.451 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C 604269900 HXIMHAMTNJYECL-UHFFFAOYSA-N 496.511 0.673 30 20 JCED Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cn1C 726769978 HWNVWLPOKIVZFY-JWGURIENSA-N 468.561 0.458 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(C(N)=O)s2)CC1 748957681 HKZQQTDRNPBSBV-UHFFFAOYSA-N 462.509 0.409 30 20 JCED COCCN1C(=O)/C(=C(\Nc2c(C#N)cnn2-c2ccccc2)[C@H](F)C(=O)OC)C(=O)NC1=S 814392483 ADFALZZMYYPSKB-RIBQPWQFSA-N 486.485 0.811 30 20 JCED CCCCN(C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 821722198 ADGBBVMGYJSRJI-AWEZNQCLSA-N 471.557 0.084 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 825139587 YPJPNJXLPKKIIE-UHFFFAOYSA-N 472.523 0.851 30 20 JCED CCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 915369212 XRGSNXSVPTYVMB-UHFFFAOYSA-N 475.527 0.967 30 20 JCED CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)N1CCN(C)CC1 918253245 QOADNBZFGZGXHK-FLKYFCFGSA-N 492.646 0.826 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)c1 918427740 UZXOUZIWLMIHJG-LGUFXXKBSA-N 487.538 0.690 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286630929 WFZHYRCMHBEDCA-QGZVFWFLSA-N 495.993 0.721 30 20 JCED CN1CCC(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)(N2CCOCC2)CC1 1478403596 MDUVAOOGVVDGKM-MSOLQXFVSA-N 450.584 0.841 30 20 JCED CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1515393379 JIGDZODXJMFDBU-KRWDZBQOSA-N 466.589 0.722 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1 1606966589 MLPABBYZMSMFJI-GOSISDBHSA-N 484.623 0.919 30 20 JCED CC(=O)NCC(=O)N1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1620484091 LISILQOJZYYKFA-NRFANRHFSA-N 458.538 0.205 30 20 JCED CCN(C[C@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1657692097 NUCROIQZKSYTBP-CQSZACIVSA-N 454.549 0.998 30 20 JCED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1709901199 XKFCQOCMXRIXNG-UHFFFAOYSA-N 452.563 0.942 30 20 JCED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1711275445 KWCDIFPTFMQAAH-JOCHJYFZSA-N 489.602 0.267 30 20 JCED C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1723790470 WYZVCBCIMLNOCV-HNNXBMFYSA-N 477.616 0.895 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cncn2)CC1 1740811335 QXEFITKEARZOQL-INIZCTEOSA-N 470.987 0.872 30 20 JCED CC(C)NC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1750991174 LOOPLXGEVOZOII-HNNXBMFYSA-N 492.581 0.750 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760367294 PDPGSTYEMXHXDY-LSDHHAIUSA-N 460.004 0.384 30 20 JCED CCN(CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1765015897 UAVCYQUDBXKRSY-UXHICEINSA-N 494.666 0.519 30 20 JCED CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1767635137 VNERGSRBMYNWKP-HNNXBMFYSA-N 450.521 0.534 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014817 JZVWUWFQHBVUBU-OAEUSDQOSA-N 481.594 0.564 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192817 VXIMUNQPEWZOAQ-SPLOXXLWSA-N 459.528 0.559 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)CC(=O)N4)C[C@@H]21 1783530965 ZSHUYUYDEKOBFD-UYBBGVAXSA-N 452.511 0.633 30 20 JCED CO[C@H](C)[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)N(C)C(=O)OC(C)(C)C 1783564912 DFKAQVLITOJFRR-QRFQSNJMSA-N 467.519 0.175 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2)C1 1783768095 IKTUEJQBSHSAMX-QZMQVMSPSA-N 481.594 0.993 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1785376697 UCRGIATYGMSUMI-HSZRJFAPSA-N 452.467 0.082 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1785606756 BLNLMTIHDDPVEQ-QKKBWIMNSA-N 451.524 0.135 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1785631471 DWDFHVVZJJIIFV-VFNWGFHPSA-N 453.540 0.344 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1)C(C)(C)O 1786705093 BGJDHHITSKHPMM-NBOOPKSLSA-N 452.552 0.934 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(F)c(C#N)c4)[C@H]3C2)c(=O)nc1O 1789907952 BVWMLIJQOFOSKT-QRFRQXIXSA-N 483.500 0.491 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C[C@@H]21 1790794551 RWLQVVRVYQDQHU-YYWHXJBOSA-N 477.558 0.839 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145466 LMKMHDHKNPEUCF-IRAUWKARSA-N 452.511 0.775 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)C=C)C[C@@H]21 1792257288 SRVYAWOHOMWQSJ-BCYZHJNNSA-N 476.574 0.573 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793053322 ZPXMFQJOIKBTSD-NHKMSHSESA-N 451.523 0.995 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1793347019 VJRBPTUWWKERDT-FCQWJQKHSA-N 451.479 0.358 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(C)C(=O)CC2)c(C#N)c1 1793788736 VTDZZHDTIZMGAP-FAQVEIGNSA-N 453.499 0.307 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 1794592222 BPOVOJBZXFZZBV-XMTFNYHQSA-N 474.562 0.715 30 20 JCED C[C@@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083099 AWWMMDARZNHJOL-YBWLXYFRSA-N 463.538 0.903 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)O[C@H]2C1 1795413137 QQECNBXOGPZJSF-ZBLLQYKHSA-N 474.558 0.904 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)C1 1797812703 ZUPKBLUYKUDPHT-IHLFGYOASA-N 480.562 0.972 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 1798692581 UTFSCNAXHXYVNH-JEIKXUOUSA-N 487.557 0.707 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1799354282 WNKJZLRHFYZLNU-MVJTYMMSSA-N 461.519 0.365 30 20 JCED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOCCOC)C2 1800492634 QIAMFWCLDMFACR-KEZQHZCBSA-N 456.580 0.875 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2 1800987350 ODUNLPMOJAWYEL-XLKGFZLASA-N 486.635 0.656 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 1801867535 WSYFWLQHNBDVTF-DQLCWVGYSA-N 478.505 0.178 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)CN4CC(=O)NC4=O)[C@H]3c3cccnc3)c2c1 1804189860 FEIQXIOGRKKANW-KSFYIVLOSA-N 486.492 0.701 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2 1804460163 SNKFDUWIFRSACZ-FZKCQIBNSA-N 450.540 0.880 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806702741 RGXBTHMVWAWETE-UHFFFAOYSA-N 488.610 0.899 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1810359613 ZNJAXCJGCGQCDK-CBCIAEPXSA-N 475.502 0.159 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2c2cccnc2)CC1 1810393708 VXUZBFSIRZSZSU-LKDQLAPJSA-N 480.569 0.964 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CNC(=S)NCC)[C@@H]1c1cccnc1 1812329661 VEQLMOLSGMJPOW-KSALOMHHSA-N 458.588 0.430 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829133245 JDVXHUAUACKNLW-JYFHCDHNSA-N 498.580 0.503 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1829266710 FJVIACUCPYCGMK-CYFREDJKSA-N 464.526 1.000 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1829352285 CJQJUPGSONLHFK-NTKDMRAZSA-N 471.558 0.607 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCN2C(=O)OCc1ccccc1 1829385477 XOXJXGTYTYROPP-NPJCXYKHSA-N 491.504 0.963 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CC1(O)CCC1)CCN2C(=O)OCc1ccccc1 1829423161 VVGMEGQOOAFYDO-XMMPIXPASA-N 483.521 0.832 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628636 RXOGJBVHGKLBAX-JOCHJYFZSA-N 463.556 0.382 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(CC)c4ccccc34)C2)C1 1829765239 OGXPGDUCKWLPSP-JRUKXMRZSA-N 481.553 0.985 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@H]4C)C2)C1 1829766122 MUKITSKYHVNOJL-CTUURYCJSA-N 457.531 0.388 30 20 JCED Cc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1830916147 CZZKMFPCLGJQAC-GOPWYIOASA-N 460.531 0.918 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1831485005 KPJKCZSTLNOWBO-XLIONFOSSA-N 471.601 0.510 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1831997953 IURCAFJTEIXJJV-ZHRRBRCNSA-N 463.535 0.949 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnnn2C)CCO3)c(C#N)c1 1833234465 AAHXNHPBEHRLGE-JOCHJYFZSA-N 454.487 0.008 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(-c4cccc(F)c4)n3)CCO2)C1 1833351990 JOHWTCDFKJDNAZ-HXOBKFHXSA-N 471.489 0.515 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)c(O)n1 1833699262 XKHAISJFQRNNPA-FDDCHVKYSA-N 458.515 0.254 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834321722 LBYIYFMFGRAIHV-GAJHUEQPSA-N 477.562 0.960 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834599537 LOKPBJOUFJWULV-SFHVURJKSA-N 463.579 0.747 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c1Cl 1834735008 OYFDMIHQWTXMIO-LJQANCHMSA-N 474.993 0.990 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)s1 1835674239 GHJMVARLULCNDA-FQEVSTJZSA-N 450.565 0.127 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1)c1ccc(O)cc1 1835765663 CQKRYAHMGVFCKQ-FZOAFFARSA-N 487.553 0.408 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1835781761 NUBQCFCAGMYABC-ZVHZXABRSA-N 470.530 0.845 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835860382 RRMVSGXOZGWZAH-DURYTUKUSA-N 491.545 0.655 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835997282 JHRPVKFAYUZODG-XMMPIXPASA-N 457.527 0.003 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1)c1ccccc1 1837614708 VBCNNTIQHFXEDY-ZJSXRUAMSA-N 451.527 0.932 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(I)ccnc1OC)CCO2 1838768504 JURALFWDMDLMMR-SFHVURJKSA-N 485.278 0.398 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ncnn4C)C3)C2)c(C#N)c1 1839131785 ZHPHPDJOJZIPDM-JOCHJYFZSA-N 454.487 0.008 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3C)C2)C1 1839175964 NUQQLBVFLUTTLX-HSZRJFAPSA-N 462.547 0.938 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)C1 1839222537 QQQXEHBFQRMERB-WYADAEROSA-N 453.536 0.833 30 20 JCED CCCN1CCN(c2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)cc2)CC1 1839476058 RMKVVRWOJFSOEY-AREMUKBSSA-N 498.580 0.377 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1839740043 PDVXNGVOQUYSDA-UUOWRZLLSA-N 472.542 0.492 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3OC[C@@H]4CCN(C(=O)OC(C)(C)C)C[C@H]34)C2)C1 1839810527 BPHJEHVKYWMJAS-GBWYYYKWSA-N 491.585 0.738 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840042749 MZASKEJNRGAXCJ-SEPYTNNBSA-N 497.520 0.126 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)CCO2)C1 1840048019 OQVQYSSZKGNFDA-YBNNGBBJSA-N 499.630 0.520 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840159993 TVGGXXPCTOZCBX-VCAMNPENSA-N 473.592 0.131 30 20 JCED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840199271 VKSCUEAFFQSOMV-JVIUNVGKSA-N 459.565 0.086 30 20 JCED COc1ccc(Cl)c(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1F 1840238346 FRHMIAPVNYXZFI-OAQYLSRUSA-N 468.865 0.575 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251557 LLDBGJVNJLOHDV-AOMKIAJQSA-N 497.618 0.635 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCc1ccc(OC)cc1)CCO2 1840252971 KUWQPTBDJGUCNC-RRFNBQSRSA-N 487.553 0.527 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1)NC(=O)OC(C)(C)C 1840796926 SXFZWFGZOQQBQT-UZUQRXQVSA-N 498.577 0.658 30 20 JCED CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840913834 GPVGFMXZVGSEFP-BTCOZLQPSA-N 481.546 0.470 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1840958910 ISQUTBRAJZULJV-NTKDMRAZSA-N 477.558 0.492 30 20 JCED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1841610614 RZDPVSBZXXFLMI-CQSZACIVSA-N 460.556 0.636 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@@](C)(O)CC(=O)O)C1 1846383633 OQLPVPYHRQCCSH-YCRPNKLZSA-N 451.520 0.722 30 20 JCED CC(=O)N1CCN(c2ccc(C(=O)N(CCC#N)CCN3CCOCC3)cc2[N+](=O)[O-])CC1 502572423 WTVQHDLAYFUPET-UHFFFAOYSA-N 458.519 0.951 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)C1=O 517849536 ZHYAGFSNDCUWNC-CYBMUJFWSA-N 468.466 0.804 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C(F)(F)F)cc3)c(=O)n2CC(N)=O)CC1 524281146 ISVRGDMDFHYSAY-UHFFFAOYSA-N 493.511 0.081 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(N)=O 524282684 FJGMHZAJLLPIEI-UHFFFAOYSA-N 467.334 0.064 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 589160708 LZYZQFXNVKRFPQ-UHFFFAOYSA-N 477.608 0.976 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 603796760 OAFRFYJYSSRXNU-UHFFFAOYSA-N 461.540 0.611 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(=O)N(C)C 604269145 ZSDJMIVPLXRRPP-UHFFFAOYSA-N 466.922 0.056 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C 604270208 SYKXUPLTVVXLJV-UHFFFAOYSA-N 482.484 0.282 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)cc1Cl 608884459 SQITUNNYTIALJV-UHFFFAOYSA-N 485.953 0.656 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)s1 608911785 KVARTDQSXBQQBP-UHFFFAOYSA-N 482.543 0.678 30 20 JCED CCN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C(=O)C1=O 609155054 HGJCMIXVLMJEDL-QGZVFWFLSA-N 462.348 0.849 30 20 JCED N#CC(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726576821 BRCKRBYMWKOBFT-UHFFFAOYSA-N 480.527 0.403 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(C(N)=O)cc1 726577550 RNAXOCNLEAYOAO-UHFFFAOYSA-N 451.533 0.568 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 727006962 PYRFWFYBLORWGF-CQSZACIVSA-N 463.516 0.894 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CCC(N)=O)C2)c1 727232138 XUIFESKCRZYZAB-ZLVLUESYSA-N 463.560 0.942 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(CCCN1CCOCC1)Cc1ccncc1 729253412 HEOGWGXFFTXNNA-UHFFFAOYSA-N 457.556 0.871 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCS(C)(=O)=O 731204770 QHZHCIJRRINYDQ-UHFFFAOYSA-N 477.608 0.227 30 20 JCED Cn1cc(C(=O)NCC2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cn1 750860813 HVEZVZLMBBUTSO-UHFFFAOYSA-N 458.544 0.517 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 834835149 QZHHGUQXPVEQON-UHFFFAOYSA-N 453.498 0.594 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCc3c(C)nc4ncnn4c3C)CC2)o1 915373249 XWARHQGRPXRIKT-UHFFFAOYSA-N 452.475 0.734 30 20 JCED N#Cc1ccc(S(=O)(=O)NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1C(F)(F)F 916180319 JTBFLSQAJYIHEY-LLVKDONJSA-N 492.457 0.547 30 20 JCED N#Cc1ccc(S(=O)(=O)NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1C(F)(F)F 916180320 JTBFLSQAJYIHEY-NSHDSACASA-N 492.457 0.547 30 20 JCED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 916903996 YVNNDCYSCLAMGN-LLVKDONJSA-N 458.862 0.752 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc3cccc(OC)c3o2)c1=O 917355207 BMPWMDIITNVDJD-UHFFFAOYSA-N 469.519 0.673 30 20 JCED COCC(=O)NC1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 918587630 OBMLVEWPCIJFRD-QGZVFWFLSA-N 450.561 0.893 30 20 JCED CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 918774450 DNHPWQHCUHYXCS-NQIIRXRSSA-N 463.556 0.836 30 20 JCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 1169880795 PINOMJLWTGWYGQ-MSOLQXFVSA-N 451.618 0.957 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1297716981 JEJPQJSZKQNFKU-QGZVFWFLSA-N 462.532 0.115 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1298010656 NSKVVCBJKGNVDA-UHFFFAOYSA-N 475.575 0.677 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1CCn1cncn1)C1CCN(S(C)(=O)=O)CC1 1298127694 PTQWIKWGKIEBMR-UHFFFAOYSA-N 455.548 0.969 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1519614138 SBEDIACYHHECDD-UHFFFAOYSA-N 453.532 0.483 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCOC1 1692812788 QVNALFZEFDAISL-VGOFRKELSA-N 489.602 0.234 30 20 JCED COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1711479682 ZUDPJGSHQQAANV-QFIPXVFZSA-N 455.519 0.684 30 20 JCED CCS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1766732294 ZEPZUERJAIHSCX-OAHLLOKOSA-N 459.580 0.547 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777704585 UXINHBAQIMBFJI-QHCPKHFHSA-N 454.531 0.781 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019092 CFOJPKLOAJWWID-CFUMORPUSA-N 472.542 0.751 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)NC(=O)c4cnccn4)C3)C2)c(O)n1 1779177315 NEFXXMOEPCJLTG-SSOJOUAXSA-N 494.552 0.958 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@H]3CCCCO3)C2)c(=O)nc1O 1779423233 BSDSSGQFFZBUBK-OHQOYROLSA-N 491.545 0.300 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)CO3)C2)C1 1781050396 ILOVIXVPYSTLPY-QRWLVFNGSA-N 457.474 0.721 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)c4nc[nH]n4)CCO3)C2)CC1 1781170123 QBDKCEOZRNBIBY-JOCHJYFZSA-N 473.534 0.789 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)S)C2 1782069241 KOSANHLWEYLBEI-WAOWUJCRSA-N 462.609 0.515 30 20 JCED Cn1nc(Br)c2ccc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cc21 1783562995 VARDKZMKBGIIOJ-FQEVSTJZSA-N 475.299 0.867 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783612161 PYKVPGPOLATKQC-RLWCIDEOSA-N 492.573 0.045 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1784118270 ZNASBRCPSFSDNQ-XDHUDOTRSA-N 488.541 0.307 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785465129 WTUBJWHZMAIPLG-GOTSBHOMSA-N 463.531 0.942 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785509156 ORPSICIPKRAITA-BVBLWJPBSA-N 458.515 0.928 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cc(=O)nc2sccn12 1789138629 NUIOQCIDFUYOSL-VUFUVXITSA-N 489.554 0.878 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789955675 ULOCZMGRQRBHNT-AUEKSGIPSA-N 455.508 0.262 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)[C@H]2OCC[C@H]21 1791077918 MNTUNXLOBBJUDL-GRSMTOHASA-N 491.541 0.079 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1792452800 WQRLIMQDIHMKJU-SAOALYKGSA-N 464.563 0.888 30 20 JCED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1792498147 OOUQIBRCOLZUSG-VBRUWADQSA-N 492.642 0.749 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793088241 XWHXJUOLAJDNCL-UYTYNIKBSA-N 470.567 0.653 30 20 JCED C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1793430610 QHKGUESNPGVEKT-OVZMXSCWSA-N 453.421 0.687 30 20 JCED Cc1nn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C/N=C/c3ccco3)C4)nc2s1 1793663010 JPIILTNKUWMGIN-MBTWDSIQSA-N 456.528 0.943 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794036755 IBYBJAOMICCJPU-FEJSZKPUSA-N 465.510 0.675 30 20 JCED CCc1c(I)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)nn1C 1795083866 YKWMNZAAHLVWHX-QHBPRCKVSA-N 471.299 0.704 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795636164 UBEDZYUGRVDCDL-FSNPWBFUSA-N 481.594 0.028 30 20 JCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)c1 1795930909 MDWPWDMXTSIVKL-UPHUGPLXSA-N 483.550 0.546 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2n(C)c1=O 1796998215 KLBAQEOFJROIGP-GGXPGOJBSA-N 455.515 0.938 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC(F)(F)C(=O)O)C3)c(C#N)c1 1799237608 URZKRDCHBBUIKE-CCWDJLKJSA-N 451.426 0.809 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1799334694 SMILVRONRJBTKT-XAPVIXHLSA-N 498.584 0.287 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800395392 AVFLERSADFOCPJ-CWQOZTLDSA-N 483.587 0.070 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801297600 VGIAJALDYWPMSI-JYYAWHABSA-N 480.591 0.956 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1802124514 DFFKHMPKCLMTAX-YYAJDYIMSA-N 475.546 0.101 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1810356439 JQKKRIKTEXVVSM-YVJTUTFOSA-N 495.602 0.944 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)CC1 1812881934 GDEHIXGCBRPREP-XXBNENTESA-N 499.568 0.728 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822204976 FLSOWULTVAMRND-KBMXLJTQSA-N 475.502 0.860 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1830468771 YHLBBNLZTOOIOE-JOCHJYFZSA-N 459.886 0.942 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831028246 AZJGTCFOFFAFBK-KSFYIVLOSA-N 471.551 0.531 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2 1831083888 VSOPPWWNXRXLDG-OFNKIYASSA-N 453.580 0.976 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1831330712 XWOXYWQZVJCBTQ-PMAPCBKXSA-N 492.598 0.711 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1831393732 OOINBSACYHZQQS-IEGUWTFLSA-N 467.563 0.784 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 1831402625 MPYFWYWULWAUSE-ZVVFGRKBSA-N 479.574 0.784 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831424474 KDZPEQWZQSFNEO-IXFSTUDKSA-N 485.578 0.574 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1831998831 MFLFYUOPRBRBET-DVECYGJZSA-N 489.573 0.945 30 20 JCED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1832466127 BGIDTXYBQWDBEN-CXVSFTDESA-N 483.613 0.971 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)n(C)c1=O 1832782379 ZXXZSLLNDBUIFX-GOSISDBHSA-N 495.584 0.747 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CC(=O)NC)CC2)CC1 1833441360 UPJPOCPUTUUNHJ-LJQANCHMSA-N 477.606 0.611 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1833451286 FHPSZPPJHFPNRX-IRXDYDNUSA-N 473.640 0.687 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)CC1 1833466350 APSSPRVPHCUZGC-RXVVDRJESA-N 494.633 0.872 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)COCCOCCOCCOC)CC2)CC1 1833468776 FUIFAILSEUNFJV-NRFANRHFSA-N 497.633 0.293 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c(O)n1 1833471394 FHWLYLROUROYFK-DEOSSOPVSA-N 484.509 0.689 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)c1 1833488556 JNUMCFNAEPPARV-XMMPIXPASA-N 479.493 0.749 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1833762679 RULBLPBHQJSNOF-FQEVSTJZSA-N 485.972 0.861 30 20 JCED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n[nH]1 1833826629 QOFOBSJXWVAUJH-QHCPKHFHSA-N 477.481 0.744 30 20 JCED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cccc1=O 1833874765 XLJBHXCEZZTLCU-DEOSSOPVSA-N 476.493 0.517 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834563340 HYYCQLVJXPOWPT-UZUQRXQVSA-N 457.531 0.465 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCOCC2)CCO3)cc1 1835392760 JYQPLYCSYLCUKW-DEOSSOPVSA-N 456.543 0.279 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835533948 VOHYMJJGXPVECE-GSHUGGBRSA-N 454.568 0.507 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1836859290 WPAHPHSPQXYBBO-KKSFZXQISA-N 466.531 0.518 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837109079 CEZSRARGCGYAPA-QHCPKHFHSA-N 454.531 0.686 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1CNc3ccccc3O1)CCO2 1837348707 PQRMNVZOVPARGK-ZNWRTWMLSA-N 484.553 0.564 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1837529922 GXOCDFLWLNPQNA-NOIVPASESA-N 492.485 0.899 30 20 JCED O=C1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)N1 1837781572 DSMAIIHSDRSTNF-LKFYKTPHSA-N 450.536 0.793 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1Cl 1838600233 VPJVDFHKTABTNL-NYHFZMIOSA-N 460.918 0.808 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)CCO3)C2)C1 1838604031 GIYDTQUPEHVHIJ-QHCPKHFHSA-N 469.498 0.715 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838605247 UWYJBXWQUNOTML-XCLFUZPHSA-N 463.516 0.067 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(C#N)cc5)CCO4)C3)c(C)n2n1 1838950784 DPULVTLTOAGBGB-DEOSSOPVSA-N 475.509 0.997 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131256 UILYFMZXFROQRA-QHCPKHFHSA-N 460.531 0.617 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1839174648 PRLFLHJCVDFVOL-HSZRJFAPSA-N 460.531 0.868 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cc3O)C2)C1 1839175361 FBPRYIANTVFEBL-QHCPKHFHSA-N 462.499 0.980 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@@H](C(=O)OC)C3)C2)C1 1839176537 UEMOBLFJRRPNEO-KHCICDEESA-N 480.558 0.932 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839204115 HXXCJOYBMXCQQJ-MBSDFSHPSA-N 491.545 0.232 30 20 JCED CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1839212323 XMTVTKFMUJGYIM-OPAMFIHVSA-N 467.519 0.224 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1839223288 RMDMAEZEDXTRRJ-IIBYNOLFSA-N 466.560 0.735 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1839228304 YTBKMXNALYMBSL-NYHFZMIOSA-N 491.570 0.997 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)CCO2 1839293549 PRVWRGFWUVIJOH-IBGZPJMESA-N 496.270 0.515 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)cc1)CCO2 1839336537 NUJJALJMVNAFAR-KWQGRVAKSA-N 479.537 0.801 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419745 SSLZOABHKGIWFX-VFNWGFHPSA-N 482.534 0.095 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839420944 OFMUQXPABQSLEJ-OAQYLSRUSA-N 463.535 0.251 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424297 ZNZZLUQJIMBUGQ-UWJYYQICSA-N 480.905 0.346 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c(Cl)c1 1839425157 PLEUJSDZVKUUGJ-LJQANCHMSA-N 488.850 0.960 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc(C(F)(F)F)c1 1839475699 XIOGJFUFIUMHBG-HXUWFJFHSA-N 470.400 0.872 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839713182 WVUJISPCIXDYOZ-STSQHVNTSA-N 490.561 0.212 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839891708 SZBCRFVWGQTWDX-FOIQADDNSA-N 495.495 0.837 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839959447 KHIISKAWOFRPKS-FZZUMWNJSA-N 455.511 0.759 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)CCO2)C1 1840038178 MIRBJIAMIPROSX-JPDULQBJSA-N 499.630 0.786 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(C(F)(F)F)n1 1840043297 PSMZXAQNJYDCJX-LJQANCHMSA-N 471.388 0.267 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840180861 ITQCYNQGXVKJGU-FGZHOGPDSA-N 463.462 0.383 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251699 UMPIQCNEKBSHJU-XFAGBWLFSA-N 492.573 0.287 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)CCO2 1840756733 GUKBRQXBPAOGLL-KSEXMQBYSA-N 488.497 0.532 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(=O)OC(C)(C)C)CCO2 1840803628 OSMHVJPIFVTBAH-SULQKFSGSA-N 494.589 0.605 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840820029 UOHARALQDAGMGH-JOCHJYFZSA-N 453.455 0.203 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C1)C2 1840916313 WUQXFKLNVLHYFV-KOAQGZTJSA-N 491.541 0.319 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1845132583 GUGCOIMKMPQYNV-QGZVFWFLSA-N 472.542 0.812 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1847089582 KPQBQPBOVBVPNL-PZLKWIMZSA-N 461.519 0.671 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1847265461 ZNPKKMIHNKDBSO-JSJJMZESSA-N 462.547 0.683 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c1=O 24876939 XSGVTHXCTIGDRK-UHFFFAOYSA-N 453.499 0.855 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C1CCN(C)CC1 517983203 KPUNDRYWOPXPSU-UHFFFAOYSA-N 491.595 0.802 30 20 JCED C[C@H](c1cccs1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccn2)c1=O 579499075 YVJSJKHEJVLYJT-QGZVFWFLSA-N 495.630 0.927 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCNS(C)(=O)=O 593991861 WCHGTWHPFJVXSW-GFCCVEGCSA-N 469.535 0.855 30 20 JCED COc1cc([C@@H](C#N)NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc(OC)c1OC 609008260 WCUQZOAHXFVKLW-QGZVFWFLSA-N 488.522 0.828 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(=O)N(C)C 609074619 HQOIYBMKIBIVDM-UHFFFAOYSA-N 466.485 0.691 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(CC)s2)c1=O 609417524 MKKKTJIQVHCCLD-UHFFFAOYSA-N 458.609 0.671 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)cc1 725922567 QQKOAOZMTSIIQH-UHFFFAOYSA-N 451.482 0.041 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCC(=O)Nc2cccc(Cl)c2C)C1=O 726042153 DYVHJPNPUOEHDZ-UHFFFAOYSA-N 450.835 0.223 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)c1 727232135 XUIFESKCRZYZAB-CDTGLVORSA-N 463.560 0.942 30 20 JCED Cn1ncc2c(O)nc(CCC(=O)[C@@H](C#N)C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc21 917014567 ZCTXIDALQOFDBU-MRXNPFEDSA-N 478.469 0.967 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 1313990961 NNMVBPCFUWYOBX-IBGZPJMESA-N 466.590 0.796 30 20 JCED Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c(C)c1 1444320837 NMBUSADFKGSFKD-KRWDZBQOSA-N 453.499 0.966 30 20 JCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(C(=O)CN3CCCC3)CC2)CC1 1459442488 RVBOIUPFRKIPNM-JOCHJYFZSA-N 456.566 0.775 30 20 JCED COC(=O)N1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1503890965 SAVHOKWGJHXJAY-RDJZCZTQSA-N 483.595 0.685 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2S(=O)(=O)N(C)C)CCOC1 1696100377 ZYCGZZKHJHEXBR-GCJKJVERSA-N 490.586 0.958 30 20 JCED CCOC1CC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)(N2CCOCC2)C1 1696186677 ZZFJFYSHSSVFAV-QXAHSBQVSA-N 495.650 0.898 30 20 JCED CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1696954661 PGPHUAVYWNZEJC-UHFFFAOYSA-N 464.574 0.943 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CCO1 1706050387 SHJYFTZYLBXNEU-LJQANCHMSA-N 473.559 0.194 30 20 JCED COCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1712327214 KUIYPDCPMBOHTC-APWZRJJASA-N 456.569 0.138 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCCN2CCOCC2)C1 1731013170 XUKPNXTXMDNMJN-GOSISDBHSA-N 467.596 0.073 30 20 JCED COc1ccc(CCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1770137719 QOANUKYPFVUEHG-IBGZPJMESA-N 473.603 0.798 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4CCN(C(C)=O)CC4)C3)C2)c1 1778353934 DLSQALHWPVIWCY-XMMPIXPASA-N 469.542 0.174 30 20 JCED O=C(CCN1CCOC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1778782339 RAFZAJDEHCBQTG-WRIQDGIESA-N 466.535 0.872 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1779106608 LQXQKGLHADWKBO-ZISMNVMJSA-N 477.474 0.115 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1783134717 BZONIXZVGSJZBB-AUSIDOKSSA-N 451.483 0.848 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(=O)OC)nc3)C[C@@H]21 1783530954 YHDJLYBRLGBBEC-SAWCTPMISA-N 456.499 0.320 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783687159 QGIKSSIGEUITFO-FQEVSTJZSA-N 464.506 0.724 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1783772078 ZDKAYLCJQKJHJE-WHSLLNHNSA-N 463.539 0.533 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1785572128 KCAIMTNPKADAKA-OPAMFIHVSA-N 465.551 0.004 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1785594666 XHWXBLPZCQELHA-OYYQPBACSA-N 462.547 0.564 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)cc(C(F)(F)F)c1 1786804179 ZGKWXXGWERQEHY-MGHWNKPDSA-N 481.475 0.763 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCSC(=N)N)[C@H]2C1 1786851666 VRKRKFIFMWSKPU-QAETUUGQSA-N 481.619 0.899 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)cc1 1786973044 ANZCWPNNGPHGKY-LNLFQRSKSA-N 461.482 0.125 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)O)[C@H]2C1 1791049884 RSHHGEWCWXOGIB-TXTZMMAHSA-N 498.577 0.152 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(C#N)c4)C[C@@H]32)c(=O)nc1O 1792132252 ZXXZNFAAVOFDEZ-FHWLQOOXSA-N 451.483 0.423 30 20 JCED CCn1nnc2c1[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)CC#N)CN(C(=O)OC(C)(C)C)C2 1795078929 QESKNOGUZHAKFG-RCJHGTSTSA-N 487.561 0.636 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CCC(N)=O)cc(C(F)(F)F)c1 1795532840 GBWIMKLORXRIFV-KPEUIFRASA-N 467.448 0.373 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1)NC(=O)OC(C)(C)C 1795861128 NNUYMQXZECOKPI-RCJHGTSTSA-N 463.539 0.122 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1797709495 KFKOMQZCSOVQBM-IKJLZNBSSA-N 481.590 0.521 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/N2CCCCC2)N1 1798433144 AGYMNRDYMUZKTA-LLSXFLKSSA-N 490.630 0.276 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1799306410 ZLVHPAFQOHURLM-TWWGPRNNSA-N 454.527 0.852 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1799395671 VULQNCJLROWGDX-NYCLONFESA-N 463.560 0.282 30 20 JCED Cc1cc(Br)c(N)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800775988 PHEXFJARPQWQGY-KSPBDQMDSA-N 450.289 0.631 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801989989 HPQKQZAPWPZKPV-YYQBIWNASA-N 471.514 0.970 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1804092161 ZDRSAVORSJZAOI-PGRDOPGGSA-N 467.526 0.338 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1805662515 VHAJNCHSCGZHNU-INIZCTEOSA-N 451.520 0.581 30 20 JCED O=C(C#Cc1ccccc1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1806617420 LTWNKFYRXAFCLB-GCJKJVERSA-N 468.477 0.579 30 20 JCED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[nH]n2)C1 1814391962 DAIXUTYWEOAAQU-INIZCTEOSA-N 480.529 0.815 30 20 JCED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ncn4nc(N5CCOCC5)ccc34)sc2C1 1815916425 YNSHTWRDIGEFHR-CYBMUJFWSA-N 451.512 0.881 30 20 JCED NC(=O)c1nccnc1C(=O)N[C@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819953749 WVDLSSBUIALOQC-MKTFZPETSA-N 453.484 0.970 30 20 JCED CN(CC(=O)N[C@H]1CCc2nc(NC(=O)Cc3ccc(F)c(C#N)c3)sc2C1)C(=O)C(=O)O 1822966367 OKLNWDOTBUNFJJ-ZDUSSCGKSA-N 473.486 0.852 30 20 JCED C#CCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 1826033459 ZFAHSHRPATYMOK-CYBMUJFWSA-N 483.554 0.306 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)C1 1826186421 WWCNNYAEWZQWGY-LAJNKCICSA-N 478.527 0.515 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1828029481 FIRPUHPOAZCBQH-KGLIPLIRSA-N 456.528 0.599 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=N)N)C2)C1 1828585483 WFLAELLWLGVDAD-AUSIDOKSSA-N 490.630 0.876 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829137551 JQSPVJWBYACCSB-YKSBVNFPSA-N 485.541 0.503 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829356556 XTEAZQOGLUWZLD-RPWUZVMVSA-N 486.525 0.968 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632132 RUDPWLDJUTWQFR-NFBKMPQASA-N 474.514 0.012 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1829765958 BJUJSVFBZMEXKV-KSEXMQBYSA-N 453.499 0.491 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460572 RCUGERJWIBXGFO-UUOWRZLLSA-N 456.543 0.814 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468603 QTXISZPYOXSMMI-QFIPXVFZSA-N 479.002 0.632 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1831386888 KOMFMDWDYXTGLP-YDIMBITNSA-N 489.594 0.591 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)c1 1833277176 PWGJCTZNDQNSPB-QHCPKHFHSA-N 452.467 0.584 30 20 JCED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)cc1O 1833406614 VWAMMUVBHFFQBV-KTBYTZPXSA-N 460.512 0.696 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1833465367 BQKTXHIFEGNCNX-RKVPGOIHSA-N 463.604 0.399 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(N5CCOCC5)cn4)CCO3)C2)CCC1 1833617086 AJTHASYDUGNXBA-XMMPIXPASA-N 469.542 0.682 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)cn3)CCO2)C1 1834087740 VPBLNZWNDVCDJV-KOSHJBKYSA-N 487.557 0.772 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768973 SFWGRSHOTAGBBV-BTYIYWSLSA-N 450.492 0.283 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1835100314 MGAKIXBAIYLXNM-HXUWFJFHSA-N 454.401 0.600 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)CC2=O)c1 1835350849 DNYSXCZLSUQVME-HOYKHHGWSA-N 470.526 0.808 30 20 JCED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)CC2)CC1 1835479555 KSVXAOJAXCCMGH-UHFFFAOYSA-N 466.630 0.920 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1835676784 ABXHIDWVUXUSRK-DEOSSOPVSA-N 472.542 0.810 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1835715785 PBJLKNHQWJMTIX-GOSISDBHSA-N 455.563 0.883 30 20 JCED CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837242356 FEFHYUGZCYCUHR-APYJYERMSA-N 463.556 0.796 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSCc3[nH]cnc3C)CCO2)C1 1837328221 QKBGXIHRVDQOMS-UWJYYQICSA-N 452.577 0.999 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1837405238 KKINTTDPJRWGSO-NBGIEHNGSA-N 473.570 0.754 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cc2NC1=O 1837445190 IZZVPXXPKOWDTN-IKAAHMRCSA-N 499.568 0.948 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1837486635 LEJJAPOVLABKOP-VWLOTQADSA-N 472.538 0.926 30 20 JCED O=C(C#Cc1ccccc1)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1837728653 OVASUCGCUVBGGV-UHFFFAOYSA-N 475.509 0.477 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838392741 HIXXMGYOBZMWEZ-KCOUNZPASA-N 465.595 0.608 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)Cc1ccccc1NC3=O)CCO2 1838442796 ULZOCYCEBFVJAR-XMMPIXPASA-N 478.509 0.871 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838604548 QSVKASJJBAKULO-MWTRTKDXSA-N 487.513 0.340 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838739165 NKNPGTICPOCKKS-QHCPKHFHSA-N 491.545 0.498 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1839174383 YGIWECOMXKAACF-XMMPIXPASA-N 483.525 0.847 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(OC)n3)C2)C1 1839174388 YPSMOMSASIIXCZ-DEOSSOPVSA-N 475.542 0.989 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)cc1 1839362103 XYGXZQKKSXQIKL-QFIPXVFZSA-N 453.455 0.338 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)cc1 1839363252 QGQHNDWISXVZLP-FQEVSTJZSA-N 469.416 0.928 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839384320 AWOMVGCYCOWGKQ-GBXCKJPGSA-N 488.541 0.400 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c(Cl)c1 1839424655 VDAIOZLQRHIEQI-QFIPXVFZSA-N 471.901 0.539 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5nc[nH]c5[N+](=O)[O-])C4)C3)c2c1 1839487932 MNJVFVGPMXMOMT-NRFANRHFSA-N 480.441 0.450 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c3c(nn1C)CCN(C(=O)OC(C)(C)C)C3)CCO2 1839612981 BVDBMRWCKAUYFE-XMMPIXPASA-N 487.557 0.417 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839667271 GXUGEPFVLQDRQE-CYFREDJKSA-N 456.543 0.850 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839856660 CTJCLMAZEMEVLD-JTSKRJEESA-N 468.551 0.048 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccc1OC)CCO2 1839952438 FTJLOYSGRLNVBI-XXXZYALBSA-N 457.527 0.553 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C34CC(C(=O)OC)(C3)C4)CCO2)C1 1840005498 FZTCTRHOXKJZRI-FEQYIJDPSA-N 450.532 0.359 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840077122 ATWCFSDVSTVWIR-CVDCTZTESA-N 472.579 0.086 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)c(C)c(OC)c1)CCO2 1840754973 OFUCTQIXQJMDDD-KBDOHKNDSA-N 487.553 0.941 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1840819739 BZIUAAFXAVOMPR-HSZRJFAPSA-N 481.465 0.195 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1840840089 XKNRUAONBCGLBF-BTZRARBUSA-N 493.601 0.864 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1840843912 SYVLYXNVWPJXFO-OAQYLSRUSA-N 452.504 0.713 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C(C)=O)C2)C1 1840907258 SJZSTFTUCSFMDY-UUOWRZLLSA-N 479.574 0.975 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1840909156 NPXGTURYEMILRN-GAJHUEQPSA-N 491.545 0.294 30 20 JCED C=CCOCCCC(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1841606097 FSGOBURWVGGNIN-DLBZAZTESA-N 464.588 0.353 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C1 1843409812 JVVBTMTVCGMPJX-KKUMJFAQSA-N 477.587 0.909 30 20 JCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 489258154 VIPPKQDWBFONQL-UHFFFAOYSA-N 453.467 0.805 30 20 JCED CNC(=O)COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OC 505989489 ADDSOOXUVNUCJE-UHFFFAOYSA-N 472.523 0.838 30 20 JCED CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)cc1 516371353 JZPFOIMUJPPISS-UHFFFAOYSA-N 465.579 0.917 30 20 JCED C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2NC1=O 517188804 MAXWCBMSNSIMAH-AWEZNQCLSA-N 483.506 0.749 30 20 JCED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O 524281032 CEAYVGGYBOETMF-UHFFFAOYSA-N 496.932 0.961 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 603795773 RHQKKPKGUGQMSH-UHFFFAOYSA-N 484.578 0.657 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1F 603800693 QJIHMECDBBFHIM-UHFFFAOYSA-N 478.549 0.990 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)c(OC)c2Cl)c1=O 730440162 LZXKGZMQOUBPQB-CYBMUJFWSA-N 495.985 0.881 30 20 JCED Cn1ncc2c(=O)n(CC(=O)[C@@H](C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)cnc21 744938109 JHPHTKGGGDAWFW-MRXNPFEDSA-N 459.470 0.424 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCN3C(=O)NC4(CCCC4)C3=O)CC2)o1 915377356 LTJHAPUMZYSTSR-UHFFFAOYSA-N 458.475 0.301 30 20 JCED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 917019261 YPVNOEAZOPEPCL-MRXNPFEDSA-N 454.464 0.880 30 20 JCED COCCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918279809 JCWUOIBLXGBJIJ-PTGBLXJZSA-N 454.549 0.997 30 20 JCED CC(=O)NCCCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919231991 CEZFUGRKNTTXEB-UHFFFAOYSA-N 464.544 0.631 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 919315862 OISRGDRJXQOJEX-RTBURBONSA-N 498.579 0.211 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c(OC)c1 1300077472 SDRRPBJYCYWLEY-NVXWUHKLSA-N 476.559 0.973 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2 1359076929 PLGHHZJTTKEDCZ-LLVKDONJSA-N 463.358 0.876 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1518643904 IJXQLZCLNASPEO-UHFFFAOYSA-N 475.575 0.440 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCCC2)CCOCC1 1541946286 SDYNNSDETWTDKE-IRXDYDNUSA-N 467.596 0.262 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC)CC1 1740745520 WZUHWRJLMVZCHO-ZDUSSCGKSA-N 493.384 0.408 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1761466820 QPFSXHGCQFWUHE-WMLDXEAASA-N 466.589 0.831 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1766944542 JGMGGPFXWCSURJ-IBGZPJMESA-N 473.603 0.867 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1768293672 MWBFGAUDGATSCY-UHFFFAOYSA-N 486.602 0.157 30 20 JCED CN(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1768481186 YQGHZCOOILOYSM-ZCNNSNEGSA-N 495.650 0.850 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CC1=O 1769900918 SKJBKPJMEGPYTN-NRFANRHFSA-N 467.574 0.959 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ccccn3n2)C1 1777812753 IATJYVYUBBIVMA-OJSZTNNSSA-N 452.515 0.715 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)C1 1778077313 JEQPODSOLDIFTA-XFPUZKTBSA-N 450.561 0.341 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1779555171 DQQQMPJYEAACTE-YOSAUDMPSA-N 482.541 0.713 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N2CCN(C)CC2)C1 1780639037 WBUJOSFJCHWKIW-PWSZPPJVSA-N 450.624 0.709 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1780735117 IJCIMNWERMGFPR-QZTZHPFYSA-N 497.589 0.895 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)N4CCN(C)CC4)C3)C2)c1 1781097455 CWJCLMVFYAUCJM-MHECFPHRSA-N 455.559 0.646 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781247393 IQHKGRYJYWGYPR-PMAPCBKXSA-N 464.563 0.648 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1783466589 VSDHFUHRJDQHMP-HRCPBSKSSA-N 488.585 0.788 30 20 JCED C[C@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783778016 MUHMJXLMQSHKOE-PDSXEYIOSA-N 472.608 0.553 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784008951 AAXBDFDAQKMTIO-NLSFWIRASA-N 482.578 0.989 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4CCC(=O)N4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784086346 KCMFWVOVDOKOMH-HKARXFIJSA-N 462.547 0.661 30 20 JCED C[C@@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)C(F)(F)F 1784874924 TUMIIKQYHZMPMH-UQICPPJASA-N 451.442 0.808 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1)c1ccc(O)cc1 1785153379 DLGIAHHWBTZWOC-DIZVHYTASA-N 482.537 0.467 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)COc5ccccc5C#N)C4)C3)CC2)CC1 1785379514 JOHYVVXTEHCHBB-DEOSSOPVSA-N 467.570 0.547 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785666866 IYYZFEZFGRSJKP-XXBNENTESA-N 498.646 0.850 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344940 JLQFZUDSMWCIFE-DKKFBQAASA-N 475.546 0.755 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]32)c(C#N)c1 1789841506 RVLBJMGZQYUXLS-QSFXBCCZSA-N 451.483 0.486 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791119509 CHTMGDAPKMFZRJ-WGGDXAINSA-N 489.569 0.994 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1792780693 PWCUOBHAVYHEEK-BLCPMEANSA-N 476.533 0.941 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1)c1ccc(O)cc1 1795442759 DENNKAVXKNLEQX-NAZDKBRTSA-N 455.555 0.811 30 20 JCED CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)CC1 1795447438 UMRVAWMVKPNADY-IRJINJETSA-N 457.550 0.467 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOCC2)N(C(=O)OC(C)(C)C)C1 1795470828 DHTCPQFYCCFZKW-IIZPIQPGSA-N 492.617 0.864 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1797208556 PDOMUZFGBGKNCI-NAHJCDBISA-N 467.494 0.259 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1799321991 WNNSYLIAHBDMCZ-XAPVIXHLSA-N 493.649 0.683 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1799365123 UPMSUVAEBRJKBQ-VQQMMKBISA-N 493.601 0.550 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2)C(F)(F)F 1800550290 ZVLRVKOSMPDPCR-QRJUGERDSA-N 477.480 0.922 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1800716803 DYSWGZKKHOJNLN-QTSPYONBSA-N 461.515 0.311 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2)n1cnnn1 1801436376 DAFZCCCVQFCAML-MCYUEQNJSA-N 464.408 0.423 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2)NC(=O)OC(C)(C)C 1801928094 JOFBGPUBDMMZHM-RCJHGTSTSA-N 473.592 0.480 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2)NC(=O)OC(C)(C)C 1801930507 BNBCYGTUZQENLF-MGGVOPSTSA-N 498.577 0.500 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801979335 SMLJTVIHGLWTGW-YYIAUSFCSA-N 450.536 0.546 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)C(C)(C)C)C2 1802124472 CBGSVDAAEPCVHK-ADHGMGHFSA-N 451.564 0.900 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1802157903 BDBKIXPJDADNRO-DMUMMCEESA-N 491.589 0.331 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2c2cccnc2)n(C)c1=O 1802684627 OIGHJRRUTXEIER-FUHWJXTLSA-N 492.540 0.084 30 20 JCED CN1CCN(CC(=O)N2CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)CC1 1807144623 CBODONXTPOXSNL-IRLDBZIGSA-N 455.607 0.617 30 20 JCED Cc1cn2c(=O)c(C(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)cnc2s1 1809398744 XLRMIMSTFOQYLC-KXBFYZLASA-N 465.491 0.867 30 20 JCED COC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814979645 LUNHYGNKKVXLGL-ZFWWWQNUSA-N 450.565 0.488 30 20 JCED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccccc2)[nH]n1)c1cc(=O)n2[nH]nnc2n1 1817814463 UJWOJMKBHQNLMQ-QGZVFWFLSA-N 457.454 0.893 30 20 JCED CN[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1)C(=O)O 1828572285 NZAAIMHAXUVLKI-HFZDXXHNSA-N 496.564 0.915 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCN2C(=O)OCc1ccccc1 1828623540 OGXQEVLQJOAIAQ-STSQHVNTSA-N 457.458 0.885 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCN2C(=O)OCc2ccccc2)C1 1828909879 WBOZIVCUCCHOSF-IIBYNOLFSA-N 483.612 0.801 30 20 JCED N#Cc1ccc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)[C@@H](N)CN)C3)C2)cc1 1829195287 CKPVQEGELUCLGL-BKMJKUGQSA-N 490.564 0.910 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=COCC1)CCN2C(=O)OCc1ccccc1 1829412178 KCALORBTCTXDKB-XMMPIXPASA-N 467.478 0.831 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1829692527 VJIWZULJQVWWAI-FSTVOOFJSA-N 487.619 0.379 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C2)C1 1829762427 KAFWOHJYMDQFRR-WBCAZHLISA-N 473.526 0.043 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1829787545 YAXCGTPCKXUVJT-QHCPKHFHSA-N 462.547 0.706 30 20 JCED CC(C)N(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C(=O)OC(C)(C)C 1829981281 HPHKBGRLYVYCDK-JOCHJYFZSA-N 467.519 0.176 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)c1ccccc1 1830044250 AIPLZFCEDXNWJZ-BWKNWUBXSA-N 470.570 0.911 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830177616 IACOIYLREUULHD-QHCPKHFHSA-N 492.598 0.442 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1830382852 KNBVJPUOHLEPES-MSOLQXFVSA-N 465.547 0.970 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1830573637 AYGLNBOZBKRVAS-OIJNNNCDSA-N 494.545 0.041 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831393893 RANPGEUEKOUMNJ-IXFSTUDKSA-N 483.562 0.021 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ccc(F)cn34)C2)C1 1831399197 QVXKAKYKHBGLOV-HXOBKFHXSA-N 458.490 0.890 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCN(CC)CC4)cc3)C2)C1 1831402960 UMXUYOPQCVUNMJ-CUNXSJBXSA-N 498.624 0.937 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)cn1 1831490379 BDPGUCSXKCMELD-UTKZUKDTSA-N 451.545 0.893 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC(=O)O)CC2)C1 1831673953 ZRKNHKUHMCAASU-QYZOEREBSA-N 477.558 0.922 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1833610096 HDWFHDKEQVTOFX-LJQANCHMSA-N 490.609 0.714 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3O)CC2)CC1 1833962191 SVJOOOULFMGIJB-UHFFFAOYSA-N 458.563 0.553 30 20 JCED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834664798 FOZKSGKPTURGPR-KRWDZBQOSA-N 450.542 0.237 30 20 JCED CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1834720397 RHBMICGMGHZSSU-QHCPKHFHSA-N 478.546 0.573 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)[C@@H]1SC(=N)NC1=O 1835099674 QRXJZKVPFCGYMO-NVVBAYIOSA-N 470.551 0.297 30 20 JCED CCn1c(-n2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)cc2C)cccc1=O 1835354573 OGJAAHJEKUQEPT-XMMPIXPASA-N 482.541 0.736 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCN5CCOCC5)CCO4)C3)c2c1 1835447393 APMGYGKPJLIVMD-XMMPIXPASA-N 482.541 0.227 30 20 JCED CC(C)(C)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835617808 CFONBJZMWLVCHM-HSZRJFAPSA-N 454.531 0.893 30 20 JCED Cc1nn(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1F 1835672535 DRLLNUJBLFWPQN-NRFANRHFSA-N 450.515 0.220 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cc2C1 1835682473 KWLYBWAKVMUEIV-DEOSSOPVSA-N 487.605 0.070 30 20 JCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1835781751 MNBKYPZYQAKSRM-ZVHZXABRSA-N 455.515 0.195 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1837401134 URBLMMSKMCTWMT-RDPSFJRHSA-N 469.542 0.910 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837492095 AGLMWGMUQVHLJZ-VWLOTQADSA-N 481.553 0.427 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)n(C(F)F)n1)CCO2 1838703232 FJGVZNAINCXEPE-NYPGBQQYSA-N 467.473 0.515 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1839174204 MIXALFBCTIBFAR-NRFANRHFSA-N 450.492 0.008 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5csnn5)C4)C3)c2c1 1839487437 IIKIKQRLWUJUCW-HXUWFJFHSA-N 453.484 0.670 30 20 JCED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487997 QDQDNAQFILCMKH-QFIPXVFZSA-N 457.487 0.168 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc[n+]([O-])cc5)C4)C3)c2c1 1839488588 ZSRLFECHCLYRIA-HSZRJFAPSA-N 462.466 0.452 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839497129 UBTNXBDIQRETMG-FUMRIQNTSA-N 453.499 0.263 30 20 JCED CN(C)[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(Cl)cc1 1839732060 OZTCGPFZLMQIHF-UNMCSNQZSA-N 463.918 0.487 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2)c1ccc(O)cc1 1839881288 RXIVLNPSHNRTIT-DHTSOJEISA-N 471.554 0.870 30 20 JCED CC(C)[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840044411 WULHOESSLDYAMN-SBUREZEXSA-N 481.546 0.470 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045103 RAFFLKDJZWJSPG-HOOSLVGPSA-N 493.557 0.614 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840437165 WTNRRRGBIRHJFQ-QHCPKHFHSA-N 462.547 0.545 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)CCO2)C1 1840798590 WNMSPUJAZHGIJY-STSQHVNTSA-N 499.630 0.737 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819820 HJASPQTUONRDAV-HXOBKFHXSA-N 473.530 0.101 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCCO3)C2)C1 1840842489 IYJPNJYQVFCSHS-DVECYGJZSA-N 479.574 0.882 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCNC(C)=O)C2 1844215484 LKPXBSNSVCSGGL-QGZVFWFLSA-N 495.577 0.522 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)[C@@H](O)C1 1844301893 OWOBTILXYKYEAA-QSGFCBGKSA-N 480.562 0.947 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)s1 521773826 JMIUYEQNNRAHOF-UHFFFAOYSA-N 494.664 0.645 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1cnn(CC)c1 523182573 RVKOKYPMCAHLHU-UHFFFAOYSA-N 463.519 0.692 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(-c3cccs3)c2)c(=O)n1CC(N)=O 550463216 MJHIGYYOSCLJGW-UHFFFAOYSA-N 486.550 0.528 30 20 JCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1 590998937 WYPZPNKJGRFSDP-UHFFFAOYSA-N 468.579 0.595 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 603742871 RJIDEYOHYOHITC-UHFFFAOYSA-N 462.553 0.469 30 20 JCED Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1S(=O)(=O)NCC#N 608868210 FLIUVKYIDAPUAZ-UHFFFAOYSA-N 481.556 0.548 30 20 JCED N#Cc1cnn(-c2ccc(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)cc2)c1N 608925158 UMCXGUHSYSMWQV-UHFFFAOYSA-N 480.554 0.603 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1=O 644526007 BCNZLCOVOAHOKI-UHFFFAOYSA-N 489.554 0.357 30 20 JCED Cc1nccn1-c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 918311605 VWPPPYJMZDAHLJ-UHFFFAOYSA-N 479.522 0.919 30 20 JCED CCN(CCC#N)C(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 918950160 BCHRVYXFBNDYNM-UHFFFAOYSA-N 491.570 0.832 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1297695927 RMRXVCRTLSTGGN-OAHLLOKOSA-N 453.546 0.512 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1298018263 WJLOUYFDXNJUAT-UUWRZZSWSA-N 485.614 0.850 30 20 JCED CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1314940227 XGZFCSWNIQYKMI-UHFFFAOYSA-N 464.574 0.990 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 1359402351 XLXNBFMYDVVSKD-FQEVSTJZSA-N 480.573 0.595 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1517075743 USWHREBPSJEZLK-UHFFFAOYSA-N 472.571 0.937 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1555199529 YYAPFZUPSRCZSC-UHFFFAOYSA-N 467.574 0.959 30 20 JCED C=C(Br)Cn1c(CC(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1589421625 SSUIFOKWBDLCPX-UHFFFAOYSA-N 467.372 0.852 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1692784632 OJLGJUYXDZFLNQ-KSSFIOAISA-N 458.610 0.843 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1696689547 RPTWZEXJZPQLOV-GOSISDBHSA-N 458.544 0.547 30 20 JCED C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1706071206 QQWRVFYJCMTBGU-OAHLLOKOSA-N 478.604 0.900 30 20 JCED Cn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1CCCS(C)(=O)=O)CC2 1748067255 UJYCIEKFQVOAKD-UHFFFAOYSA-N 453.528 0.908 30 20 JCED N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1750388294 NKKBCQAKBPYAMN-GOSISDBHSA-N 453.528 0.971 30 20 JCED CC(C)NS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1751006518 XJMFLXNNJVLLLL-INIZCTEOSA-N 473.607 0.935 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1)c1ccc(O)cc1 1778790434 QYUXHPNCJXFWAM-ZHRMCQFGSA-N 473.526 0.784 30 20 JCED O=C(NCCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccc[nH]1 1779060427 BSQIXNVFIVIGJF-XMMPIXPASA-N 456.543 0.663 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)c(C#N)c1 1779528871 LOERFRXORYZLGG-HSZRJFAPSA-N 465.466 0.741 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780331284 QFYXMDSZZNKSTJ-OPAMFIHVSA-N 461.519 0.606 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)CO3)C2)C1 1781050399 ILOVIXVPYSTLPY-YWZLYKJASA-N 457.474 0.721 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1781165054 CAGDXFHBUMVOMW-LLJLJFOGSA-N 493.605 0.106 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1781167799 JUQRBKWOLSJHOX-VGOFRKELSA-N 485.603 0.558 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CC1 1781300294 LSAGDQHNJYUMEO-XMMPIXPASA-N 471.533 0.234 30 20 JCED COc1cc(N2CCC(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)CC2)ncn1 1782009269 HYQARHSVOVKTKL-HOYKHHGWSA-N 485.541 0.304 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCN(c3ccccn3)CC1)C2 1782013777 JDWLVIZEEYZEIK-NTKDMRAZSA-N 454.527 0.900 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1 1782972414 IPFYIQQOAITKOY-ZCLJVBCSSA-N 490.524 0.881 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784012442 SSSFFYXKYVWEPU-DNQXCXABSA-N 495.573 0.698 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)c1ccc(O)cc1 1784018958 SHZSZBHFDNHXJJ-JLGINSKQSA-N 473.526 0.784 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)c1ccc(O)cc1 1784018960 SHZSZBHFDNHXJJ-MEKIYTOJSA-N 473.526 0.784 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(CN(C(=O)COCCO)CCO2)C1)NC(=O)OC(C)(C)C 1785308358 IGXDGZJWHGUXNO-VGOFRKELSA-N 455.552 0.685 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccn4c(O)nnc34)CCO2)C1 1785574189 AWDPSISXRGVYRY-BXKMTCNYSA-N 498.540 0.795 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785610091 RGOXKOUENBAUBL-QZMQVMSPSA-N 467.563 0.519 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1)NC(=O)OC(C)(C)C 1787093671 YDUFYTGEOIERKQ-XSLAGTTESA-N 477.566 0.512 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1787503803 CRBKCNSGBKNFJE-ACRUOGEOSA-N 459.568 0.443 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)ccc4F)C[C@@H]32)CC1 1788111268 NXRJNMVMIIDNRS-CUWPLCDZSA-N 492.573 0.962 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/C(=O)c4cccs4)C[C@@H]32)CC1 1788247107 PZWIOOZUOXDRGJ-XQMISQMHSA-N 488.610 0.631 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788255654 YLEBULJZCBAZQZ-ZQIUZPCESA-N 451.474 0.821 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788632742 YPIPNZAGMJRZOP-BZSNNMDCSA-N 450.605 0.149 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1790176386 YMHRGLZYJOKRGL-CAUZGTQDSA-N 464.519 0.521 30 20 JCED COc1ccc(/C=C/C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c(OC)c1OC 1791073172 OWICHFPFEVHASA-FGBFPJKISA-N 472.494 0.793 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]32)c1 1791988683 FBNCPERVGFKUNI-FCLVOEFKSA-N 456.499 0.450 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1792834365 HDUFUBHZJIFPMS-VPTLXERWSA-N 467.913 0.535 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1792887544 JCPVLYITOSAIBH-AJYBTWMASA-N 479.574 0.160 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)C1 1793257608 MVVCJVIESADYMY-FYNHEXGPSA-N 475.586 0.997 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)CO2)C1 1795412506 GKMXQFPZGUVLJE-ZJPYXAASSA-N 474.558 0.906 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN)Cc1cccc(C#N)c1 1795523654 POQKNVZTHGHXDW-VLVHOKLOSA-N 485.585 0.932 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480880 RJBVMSXFSJLTBR-PVGKCDGLSA-N 466.542 0.841 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc4ncccn4n3)c2c1 1797380272 CFUVAWBHYGPORJ-YVWYUNDQSA-N 456.466 0.994 30 20 JCED Cc1cnc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3(O)CCCCC3)C4)cnn2c1 1797420293 QSUOHYZMCZFCKL-RMFSNUHRSA-N 451.527 0.940 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1797815411 OOJIPIJYSCPPES-QKSGZKCUSA-N 489.525 0.568 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cc(C)on2)c1 1797827552 RKYQWWBPNXMBEQ-UPHUGPLXSA-N 467.482 0.497 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)C2 1800456419 QJKFYNSKJNTAOK-UPHUGPLXSA-N 463.531 0.449 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1800709757 ITAMWKAWCRPMNO-HGKCTWBKSA-N 460.531 0.755 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc(N2C(=O)C=CC2=O)cc1 1801868890 LDFCGHVMFRUJJN-LPVZQFDLSA-N 479.537 0.791 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1802085879 UIRBJBSNNYREKT-FZKCQIBNSA-N 464.519 0.336 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1802127162 QTKHVRGWUFEPQI-OGJJZOIMSA-N 462.547 0.019 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CN4CCNC4=N)[C@H]3c3cccnc3)c2c1 1807118650 QETLSTHPDUYYJB-VGOFRKELSA-N 471.525 0.989 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1807738201 NZOGXJDUQIXGKT-KKVAFCGZSA-N 471.539 0.591 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1813175458 RNOXNOHQPXJHBN-NTKDMRAZSA-N 464.522 0.711 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1 1814436175 JFYWTOHNMJGXNI-WLMCBFPDSA-N 454.487 0.575 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814972806 OVKYWWYJFGDNBF-CHWSQXEVSA-N 470.621 0.665 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819894084 UXCFVJFHCLVRIZ-YCRPNKLZSA-N 471.539 0.656 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661524 VNZHZFXWHQQFRN-AAEUAGOBSA-N 466.516 0.419 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCN2C(=O)OCc1ccccc1 1829396022 CBJKOLDVGMIBEE-JTSKRJEESA-N 451.487 0.319 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830299936 HXHRTVFIMSHBHU-GAJHUEQPSA-N 481.594 0.638 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1830343341 YMZRXXZYGZBFBS-KRWDZBQOSA-N 459.480 0.840 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CCO2 1830385739 RKLHIOLSOSTHLU-DMYXBQNASA-N 499.630 0.518 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830886907 MFDOUSDHAVMGQK-HTZUNMPGSA-N 471.576 0.340 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1831410588 CLCYVJVNDMSEFC-FDDCHVKYSA-N 475.546 0.034 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832947128 VTRSPOHXSSVCRE-QHCPKHFHSA-N 453.499 0.749 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3c4c(nn3C)CCC4)CC2)CC1 1833077073 ODZHLCUUZHZIBD-FPLPWBNLSA-N 468.602 0.952 30 20 JCED CN(C)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1833364692 XRDMRHNAEUARPW-ABBHQSEISA-N 455.515 0.930 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1 1833474755 AJXNDXGHVHRXRQ-QHCPKHFHSA-N 452.467 0.650 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nc1 1833600296 XDMSOFRSGAHFBT-JBMWNJKUSA-N 490.538 0.267 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835146453 QIBQWPZACQWAQV-OXQOHEQNSA-N 456.586 0.625 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835345892 IQVWJWKTKLTHQK-KSFYIVLOSA-N 466.535 0.022 30 20 JCED C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680155 DMLCUGWZZJRCSD-WZONZLPQSA-N 459.547 0.587 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835681075 PHDVZRFPLFTZLC-VWLOTQADSA-N 485.585 0.463 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)n[nH]4)CCO3)C2)c(C(F)(F)F)n1 1835854075 RIMQUCUFWGBLEU-LJQANCHMSA-N 480.403 0.785 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(=O)n5[nH]cnc5n4)CCO3)C2)c1Cl 1835923856 IHAXZZWDUUZBSV-QFIPXVFZSA-N 497.899 0.326 30 20 JCED CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CC1 1836665976 NFFHFHDPAURAMY-XMMPIXPASA-N 474.989 0.395 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4cc(F)ccc4n3)CCO2)C1 1836959263 JATWCMZIJAGPOQ-HSZRJFAPSA-N 472.521 0.825 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(C)nc3sccn13)CCO2 1837140899 KPJJZQLTWXUBKR-XSAUMEDDSA-N 473.555 0.633 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837400310 CLTZFLBWCQKVSS-KKSFZXQISA-N 461.544 0.729 30 20 JCED Cc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1F 1837441090 QYHMRSWLAPWXJO-IIHIVLJSSA-N 450.515 0.409 30 20 JCED Cn1cc(F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528199 AXNKLHSIZUYDFW-UGYDVAPCSA-N 452.483 0.763 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nc1 1837528621 LQKLXMOLVXJCTM-ROZQTZPBSA-N 462.503 0.689 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837532765 GCPGZDLEHJGDAS-NGKNQMCKSA-N 453.536 0.523 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837562078 CCSKGGJYAVVQAT-DBNSOCDESA-N 452.471 0.740 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCC(OC3CCN(C(=O)CCC#N)CC3)CC2)CC1 1837794730 AKYPPJXEUKIENA-UHFFFAOYSA-N 454.593 0.960 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])CCO2)C1 1838602296 ZGXSQVRHQDWUKA-IVZQSRNASA-N 479.486 0.970 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839450756 GMPLFXOGOMLWEJ-WRAFWBCBSA-N 452.511 0.795 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839486233 OLHHMJRHDJCYCM-XMMPIXPASA-N 482.541 0.811 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc6n(n5)CCCO6)C4)C3)c2c1 1839488350 MTXAQIKGTTYUMD-DEOSSOPVSA-N 491.508 0.797 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCc5ccc(O)nn5)C4)C3)c2c1 1839489347 XYYDRATWZJJSCV-XMMPIXPASA-N 491.508 0.633 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n4ccnc4n3)CCO2)C1 1839549213 TUAJZXFKBODMEN-MBSDFSHPSA-N 457.531 0.681 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n4ccnc4n3)CCO2)C1 1839550658 WRNVDLFFSONIKE-VGSWGCGISA-N 458.519 0.909 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c(Cl)c1 1839783963 GFIQXRBNMROTLU-GHTZIAJQSA-N 481.958 0.859 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2)C1 1840043690 OWPQJXTXNGKENS-IBGZPJMESA-N 496.270 0.515 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1840162372 VYDFOIBPIANZHJ-FPTDNZKUSA-N 457.556 0.959 30 20 JCED C[C@H](Cc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840331786 FXXZHOMOECDYDJ-NTKDMRAZSA-N 457.575 0.998 30 20 JCED Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1840404776 CVWXUOHOVWQYLR-JAQCGGCRSA-N 463.535 0.738 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840772646 YPEIASMLVVEDSQ-WMZHIEFXSA-N 498.573 0.872 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840885248 VICJHTVAYSLZML-RVUOGAPUSA-N 469.535 0.561 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1840908528 CBYRZDIUWDFCAQ-ACTFIFLWSA-N 453.511 0.717 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(C(=O)OC)cc3)CCO2)C1 1840957606 KWUVAPCCDOMUMQ-KOSHJBKYSA-N 476.526 0.900 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845107936 PKAOGKVRFCYCNI-IAGOWNOFSA-N 465.547 0.927 30 20 JCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(Br)c2)c1=O 590984101 UHPFRCNYHJKICO-UHFFFAOYSA-N 452.305 0.710 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCNS(C)(=O)=O 593991600 HHPBUXFGFMPVGY-UHFFFAOYSA-N 469.535 0.855 30 20 JCED N#Cc1cc(C#N)c(SCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)nc1N 598659486 UCHUZHJKZAILBW-UHFFFAOYSA-N 472.552 0.837 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 603795952 XCRBZNFJLOCCKM-UHFFFAOYSA-N 472.523 0.606 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCc3cccc(C#N)c3)c2)c(=O)n1CC(N)=O 608911182 OXQUCSUERPBOAK-UHFFFAOYSA-N 499.552 0.651 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 769194897 PDYKVPPGLLMDFO-UHFFFAOYSA-N 462.509 0.668 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(-c4ccccc4)c3)c(=O)n2CCOC)CC1 838265675 VEKSECYTVCBSQU-UHFFFAOYSA-N 492.605 0.409 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)cc1 839223008 KMBVBLQQZJKYEC-CYBMUJFWSA-N 457.943 0.940 30 20 JCED C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 863850589 AVPBYOADYDDUFL-QHCPKHFHSA-N 481.534 0.858 30 20 JCED C#CCN1CCN(CN2C(=S)N(CCCC)[C@H]3C=CC(S(=O)(=O)N4CCOCC4)=C[C@H]32)CC1 914566003 KWGLLOOLLUDSQI-FCHUYYIVSA-N 493.699 0.750 30 20 JCED COCCN1C(=O)c2ccc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2S1(=O)=O 917013354 QXGPTMLRVGLFRN-UHFFFAOYSA-N 455.496 0.707 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]1(N2CCOCC2)CCSC1 917119863 YYVLDSPMFPPLFL-FQEVSTJZSA-N 452.602 0.829 30 20 JCED N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2)nc1 1129339407 RUGRDOWFDBNENG-QGZVFWFLSA-N 455.496 0.367 30 20 JCED CN1CCN(C(=O)Cc2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)CC1 1137232989 NMDOZPPBOJNYDI-UHFFFAOYSA-N 455.540 0.680 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1 1286890323 PWJGMVOGTCWIOC-UHFFFAOYSA-N 459.576 0.462 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C3CC3)N(C)C)CC2)c1C#N 1290577348 NUUJBLKGDAOQBU-LJQANCHMSA-N 468.610 0.997 30 20 JCED CO[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1504528562 KNMVNRDVJXAQQO-UNMCSNQZSA-N 497.600 0.990 30 20 JCED CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1516182629 LQWFSYNLDCXRCQ-HKUYNNGSSA-N 457.528 0.312 30 20 JCED CN1CCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1517423787 XCOYNEJPFAUQHA-LAUBAEHRSA-N 498.629 0.079 30 20 JCED CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1519556336 RHXHFQYXKAJRTI-SFHVURJKSA-N 457.556 0.130 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1547782391 VYDFTPIKPDXISN-NQIIRXRSSA-N 459.576 0.401 30 20 JCED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1563967592 ZWUNTSHZIXALSE-UHFFFAOYSA-N 458.544 0.598 30 20 JCED CC(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1723089616 KQBKEVICNPHKAO-KRWDZBQOSA-N 480.577 0.549 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCNS(C)(=O)=O 1723613415 ZYYBHPNXPXTMNL-UHFFFAOYSA-N 478.554 0.303 30 20 JCED CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1728803896 LLHNHHMUNKQDND-CTNGQTDRSA-N 467.592 1.000 30 20 JCED CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1731003270 OGSWDQILGVVNRQ-SFHVURJKSA-N 474.543 0.211 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccn(C)n1 1747665611 WVDRJFONCXUPNT-UHFFFAOYSA-N 450.503 0.806 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCC(=O)NC1CC1 1761498603 HGLCRCNMNHQEOZ-RHSMWYFYSA-N 464.596 0.124 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)COC(=O)C(F)(F)F)C4)C3)c2c1 1778893899 GYJIDFYZESJIFZ-IBGZPJMESA-N 465.388 0.984 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2)C1 1778975307 GEFDVZQMKNGXIS-UAVUOLJFSA-N 497.589 0.846 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779947770 RJFJNRTZFYRGDK-YOXWTLATSA-N 457.512 0.058 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)c1cc(=O)nc2cccnn12 1780039946 NLZXATCMDHTDHN-XMEICTIRSA-N 481.557 0.689 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1780046001 TVHKMUALGXXIGE-VMXOYPLMSA-N 466.498 0.742 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1780738272 KUDNAPQEYXHKAG-HYBUGGRVSA-N 476.618 0.790 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781165144 BRYRCJNIHMTJQQ-GAJHUEQPSA-N 461.515 0.601 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1781295288 MIKXNKRATSEEFM-HTAPYJJXSA-N 455.552 0.685 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010586 ZUFBAYOPYIEYNR-SEPYTNNBSA-N 479.530 0.224 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)Cn5cccc([N+](=O)[O-])c5=O)CCO4)C3)c2c1 1782198634 BPVIIGSBLWKUAG-QHCPKHFHSA-N 491.464 0.648 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782419673 UWTUIMMASAWCCR-LJBSOROUSA-N 471.539 0.428 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782564302 WGSHLAPTLSQMOV-QHCPKHFHSA-N 459.547 0.672 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783178335 MCOWYOKQNGRXCL-VGSWGCGISA-N 452.552 0.812 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC(=O)NC)C2 1783268070 MFHJIWWIKHRVFM-SEPYTNNBSA-N 464.563 0.553 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)C2)C1 1783495196 SHBCJQMLHAXAQL-GUSIKLTESA-N 491.585 0.879 30 20 JCED CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565516 MCPWRGYZECRKCQ-QPPBQGQZSA-N 471.510 0.855 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785221493 GLVMSEKFYVTOOW-VWLOTQADSA-N 479.537 0.841 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1785575174 ZLYBLQDFHLAMAG-FPTDNZKUSA-N 475.502 0.248 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1785577075 KJEMKZYJYDMJQA-SBUREZEXSA-N 478.546 0.575 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1789892184 GCFIHGREGJOMRX-XSLAGTTESA-N 483.562 0.361 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)n4cnnn4)[C@H]3C2)c(O)n1 1791684480 UDEPGYNQSSDGEP-PDWMJMLSSA-N 455.519 0.747 30 20 JCED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)c1 1794111025 AVSAPEHRYRUFHO-GXNBUGAJSA-N 481.484 0.907 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)nc1 1794426266 RPXJPNOPSARAAN-OPMZPASUSA-N 468.535 0.803 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N(C)C)o1 1794605368 XPDDOHMVQOTHIW-KYHPRHEASA-N 475.546 0.860 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3CC3)C4)CC2)CC1 1797280999 ROTUFPQFKMWEJR-BRTYFSMRSA-N 470.614 0.712 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1799391037 DKRRVJHZRVSMIW-AYMMHLMVSA-N 486.573 0.412 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1800063383 SQXILZQNSITZNJ-BCDXTJNWSA-N 481.546 0.661 30 20 JCED CS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1 1800778848 UJFZRTKONYYNLA-KSPBDQMDSA-N 454.888 0.035 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCNC(=S)NC)[C@@H]1c1cccnc1 1802482887 PVXTZZHQBSDPPP-GFCSNGQLSA-N 458.588 0.430 30 20 JCED C=C1C[C@@H](C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1813161143 BSUVJRNKCUHVKC-FUMNGEBKSA-N 472.590 0.939 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)N2CCN(C)CC2)n[nH]1 1820783045 NWAZOOHTXJUKPR-TXKXQZRUSA-N 457.579 0.896 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1828514405 OLUIQSOENHUGGK-KBMIEXCESA-N 498.584 0.581 30 20 JCED C=CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828585404 VKKIMGGYIDJPIK-LJFZDNNRSA-N 473.574 0.316 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829041905 GQCXIRRCDXPWCN-JPYJTQIMSA-N 470.530 0.799 30 20 JCED Cc1nn(C)cc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829331130 ZQAKVRXQEKZXGV-RUZDIDTESA-N 493.520 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3c(C)cccc3C)C2)C1 1829768788 HKVDNLFZRHGECQ-KWQGRVAKSA-N 484.553 0.557 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1829771079 DHZMWOCLVGZYGP-FURZLZPVSA-N 481.553 0.067 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465687 QAYPIKVIRKJTTB-VGOFRKELSA-N 482.986 0.829 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1831331439 BVUXGTMJGVWENP-NRFANRHFSA-N 468.959 0.583 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)C1 1831388320 QHIMUKXVBVAEMJ-XDHUDOTRSA-N 454.479 0.901 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1831723390 MFSVDGWFRUPVCG-GEQKSPFYSA-N 480.562 0.771 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnco3)CCO2)C1 1831942671 DKHYXPWGXULBHG-ZHRRBRCNSA-N 462.503 0.661 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2)c1cccs1 1832020634 NQBNLKLWNNBKMU-OSFWOZTASA-N 487.534 0.259 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832424593 HOAOSJURQOYCEF-HSZRJFAPSA-N 465.547 0.355 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834674477 QZDZJJATBYSBNB-FQEVSTJZSA-N 470.574 0.101 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CCOCC2)CCO3)c(C#N)c1 1835191876 GCMGUNCKZDYLRQ-XMMPIXPASA-N 457.527 0.992 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835358660 HTGKJSTUMGJEDI-GAJHUEQPSA-N 496.561 0.593 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835780263 VHURXKDBJKAQQR-JHXRPTDYSA-N 461.563 0.421 30 20 JCED O=C1NC(=O)[C@@H](CC(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)N1 1837115530 KEHVEVYIOYJFAM-QGGRXXHISA-N 479.534 0.112 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1 1837275237 ODHUTXNTZNNUHS-QFIPXVFZSA-N 453.503 0.270 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO3)c(O)n1 1837375124 HSTQOBDGOXTAHI-OSPHWJPCSA-N 489.573 0.683 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837527808 WTTPZNYMABYLST-GOMHLSDKSA-N 452.552 0.458 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C1)CCC2 1837530378 LJWPZJONEOQZAT-XTXAWSSWSA-N 475.546 0.508 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)c1ccccc1 1837615275 FPDNIXLHDNZPCL-STWLZBDKSA-N 453.539 0.776 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)n1ccccc1=O 1837686296 FWCQUQKFZQBPBP-QUJVFKRRSA-N 476.530 0.395 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)ncc1[N+](=O)[O-] 1838736107 JRPOOJIKHVEWOY-OAQYLSRUSA-N 454.443 0.882 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)N1CCN(C)CC1 1839103138 GHXFQVWNWRCMAU-DVECYGJZSA-N 455.559 0.264 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1)NC(=O)OC(C)(C)C 1839195726 FOBICMVIUPNLJH-MBSDFSHPSA-N 485.578 0.311 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2C)CCO3)c(O)n1 1839213707 VFDNVBBPAYEQJO-CYFREDJKSA-N 472.542 0.597 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=C/c5cnc[nH]5)C4)C3)c2c1 1839489315 QUNKNCPYMGGLFX-KFVKGYIZSA-N 461.482 0.941 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCCO3)C2)C1 1839808574 TZXARUJBLYMIAA-VGOFRKELSA-N 451.520 0.102 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1839841854 ZJBQLTFLTDVDFY-PNLZDCPESA-N 455.552 0.541 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)cc1C#N 1839865989 BLMOAYIKGHEAOT-QHCPKHFHSA-N 458.515 0.681 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COCCC13CN(C(=O)OC(C)(C)C)C3)CCO2 1840008285 FBLAQAVERKTUIV-UUOWRZLLSA-N 477.558 0.350 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)O[C@H]2C1 1840016298 VDLCDBPIQVHYNM-PRHHBONVSA-N 478.546 0.381 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3Br)C2)C1 1840042483 XGQMLAVDOMLEHR-GOSISDBHSA-N 452.261 0.002 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1)c1ccc(O)cc1 1840220150 ADPMUCBZOQITAE-NLFFAJNJSA-N 486.569 0.617 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)ccc1F 1840410969 ZMLKIJGJAOLPIM-HSZRJFAPSA-N 469.473 0.565 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCn2ccnn2)CCO3)cc1 1840444703 DBISAAQERVIIQB-HSZRJFAPSA-N 452.515 0.629 30 20 JCED CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820292 IPWZZTGLSADAQT-GCJKJVERSA-N 463.556 0.507 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1840843005 OADVUZBQWYKLGW-JOCHJYFZSA-N 455.471 0.162 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cnc(O)[nH]2)C1 1844503900 OOOXWWDCHWMHSK-CQSZACIVSA-N 492.533 0.738 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1846331091 JUQDNPLVTSXQBH-HNNXBMFYSA-N 468.576 0.822 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1847071441 SVBFHWGSAIZOLW-MRXNPFEDSA-N 487.513 0.877 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 10902286 PIVQIEANOAQEOQ-UHFFFAOYSA-N 481.527 0.819 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)c1 16559387 REORIKGDDJOJRJ-ZBFHGGJFSA-N 456.542 0.179 30 20 JCED C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 18662713 KDAKJBZKEXSFHA-YJBOKZPZSA-N 497.595 0.536 30 20 JCED CCc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cscn3)c2=O)c1 497551740 OIBSQJFHZZHVPW-UHFFFAOYSA-N 495.630 0.869 30 20 JCED CN1Cc2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2C1 506495925 OWDFWMOKIBIQTK-UHFFFAOYSA-N 453.524 0.975 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCCSC 514941513 CQQDADDHZXSXGF-UHFFFAOYSA-N 458.544 0.632 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1OC 523254376 AFOZYPJBXMZCSG-UHFFFAOYSA-N 490.541 0.797 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 523744432 MDMAVDHSYCSUSL-UHFFFAOYSA-N 473.551 0.754 30 20 JCED COCCN(C(=O)CN1CCN(Cc2ccc(C#N)cc2)CC1)c1c(O)nc(=O)n(CC(C)C)c1N 603784539 MGPOBDGLTOPUEA-UHFFFAOYSA-N 497.600 0.856 30 20 JCED N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 608911852 SVXWDVQYCNDKLT-UHFFFAOYSA-N 452.423 0.828 30 20 JCED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 677814542 MDPQLLZSZUFYDF-AWEZNQCLSA-N 461.592 0.836 30 20 JCED CN(CCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1)S(C)(=O)=O 726105396 BAHRUPVMQZDGLV-SLNYWTKHSA-N 467.617 0.874 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccc2c(c1)OCCO2 726785269 NOBVYBSGEZLFLW-UHFFFAOYSA-N 479.562 0.686 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(Cl)c1 726962648 WYUAYWMFDBWVNU-UHFFFAOYSA-N 487.969 0.950 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1=O 728285584 JORIIJDVDQLBFB-UHFFFAOYSA-N 463.897 0.752 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)CC1 729257954 XLQNVAKQTORDET-UHFFFAOYSA-N 464.588 0.623 30 20 JCED C=CCOc1ccc(/C=C\C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 794254482 GTXWFIREDBORMW-PKYBCLHXSA-N 452.485 0.829 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(Cl)c1C 838750602 CGGNVNWLIRIQSZ-UHFFFAOYSA-N 457.943 0.860 30 20 JCED CC(=NNC(=S)NCCN1CCOCC1)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 915925706 KDFJAPCRLIYSEN-UHFFFAOYSA-N 471.605 0.350 30 20 JCED Cn1cc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(C)c1=O 916949174 KNPYVNKIOOBUSB-YXBWYFRISA-N 499.549 0.619 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1CCOC 917769217 WWQYNTHVNAVMPM-UHFFFAOYSA-N 473.551 0.373 30 20 JCED CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918442317 IWEOXXUEXRHGOO-PTGBLXJZSA-N 499.615 0.368 30 20 JCED CCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C(=O)C1=O 918635500 PRNVKFZDMDJENE-NKFKGCMQSA-N 463.560 0.909 30 20 JCED N#Cc1cccnc1NCc1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 1292655435 PKOJSKCQEWKABT-VQTJNVASSA-N 455.540 0.793 30 20 JCED C=C(Cn1c(COCC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1301011020 SIZFKXOYWOXIIR-UHFFFAOYSA-N 466.546 0.995 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCNC(=O)C(C)(C)C)CC2)c1C#N 1304731176 MKGNZZZCCLVRKO-QGZVFWFLSA-N 482.593 0.632 30 20 JCED CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1314935720 PJXWITGPQZJKBZ-UHFFFAOYSA-N 482.593 0.527 30 20 JCED CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1314950990 JWVLZIOJTKTGIM-WBVHZDCISA-N 459.576 0.917 30 20 JCED CC(C)CN1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1360036363 YOKKRIXYYRWALN-VQTJNVASSA-N 458.611 0.950 30 20 JCED N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1505326222 OEEBXALAGNXLOV-INIZCTEOSA-N 467.621 0.738 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1608563946 ODWHHJRQIOWWHZ-QGZVFWFLSA-N 472.575 0.444 30 20 JCED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)N2CCSCC2)CCOC1 1616213691 KNQMPZJAWVCCPB-RBUKOAKNSA-N 488.611 0.751 30 20 JCED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1692523698 LXEPJVIDIRINJW-QGZVFWFLSA-N 459.573 0.237 30 20 JCED COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1698029589 WKDGOTCEEAZABH-UHFFFAOYSA-N 461.592 0.867 30 20 JCED CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1709943354 XCOWANJBHJMBSK-NRFANRHFSA-N 485.614 0.994 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C[C@@H]1C 1771150601 WXQNGJBKFGHJFK-CYFREDJKSA-N 469.590 0.952 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)/C=N/O[C@H]4CCCCO4)C3)CC2)CC1 1779423819 HUGWIWGXTTUKJO-WDKVZNBBSA-N 491.633 0.809 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1779525967 UTSSVQSYSZVVMR-JOCHJYFZSA-N 451.439 0.812 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC#N)C2 1780797588 HGZDOJOWHDKKBN-NFBKMPQASA-N 469.579 0.890 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780934055 OETWMYMUOGZBLR-NYNQOQISSA-N 471.539 0.434 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC)NC(N)=O)CCO2)C1 1781168206 DPROVSHKYQZFAU-RHGYRFJNSA-N 493.605 0.960 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1781268217 JGXATBYWDNCKJV-KSFYIVLOSA-N 469.535 0.211 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1781271955 UPVBQLIDZYDQKV-HSZRJFAPSA-N 486.562 0.022 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1781400793 XBSMVNXIANSIOR-PRHHBONVSA-N 482.578 0.988 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2)C(C)(C)S 1782113434 HESNYXOVOCXOAW-GHZYGTOFSA-N 487.667 0.388 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1783883823 LPPUDJJDCVOUFP-HKARXFIJSA-N 497.593 0.217 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3c(I)cnn3C)CCO2)C1 1783892517 BXZACSVFJKNVTQ-ZUZCIYMTSA-N 464.329 0.787 30 20 JCED CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C[C@@H]21 1784415528 OWAAPAKRMBDZSW-YRBFXIGRSA-N 486.635 0.704 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1784492475 SFDRCONNSGSPFC-AAEZLKGMSA-N 452.577 0.751 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(C)=O)C[C@@H]21 1784784492 PIFRCUKNTZMUQR-VJANTYMQSA-N 466.579 0.962 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OCC)C[C@@H]21 1784785649 MFSFRJMDAUCRQA-YUAHOQAQSA-N 498.577 0.500 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2)NC(=O)OC(C)(C)C 1785306867 UZENFUPIGPQJET-IERDGZPVSA-N 473.592 0.720 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cnc(OCF)cn1 1785686807 AKZBBJUFJYYNNC-FTTNPFSNSA-N 465.482 0.905 30 20 JCED COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1785866555 MIIQMFJSMYWAAM-ZWOKBUDYSA-N 453.499 0.973 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1788572857 OVYCQEIYAUUMMH-QNILMXGZSA-N 452.577 0.342 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1cc(=O)nc2cccnn12 1789200244 YSOIWIMMIBUWCO-MLXYNTPMSA-N 464.482 0.395 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)[C@@H]4SC(=N)NC4=O)C[C@@H]32)c(C#N)c1 1789842053 SREWIGFRFDTNNF-RSKJFRINSA-N 499.593 0.892 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-c4ccc(O)nn4)cc3)C[C@@H]21 1791078117 LESPXYZKZHMHDJ-LNLFQRSKSA-N 450.451 0.531 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)no3)C[C@@H]21 1792256534 FLEHDIYHNUBJRD-MPTYRVRUSA-N 462.503 0.890 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C3)C1 1792442600 RHVLFDOUCXGETG-RDGPPVDQSA-N 499.630 0.870 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C3)C1 1792444543 XNNVATWDWUWNAB-RDGPPVDQSA-N 493.605 0.884 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C(=O)OC)cc1)C2 1792490342 PHZGACKOZQYQEC-YTRCMYEKSA-N 455.511 0.464 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)cc1 1793258419 DEMKUCTZTPQKKV-UYZIEWPDSA-N 459.568 0.665 30 20 JCED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1793261949 VYAOVZRUAXRJJC-DTVVZGISSA-N 481.549 0.761 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1793600115 ULHFKNXLWITMGE-AXVVYFOYSA-N 475.546 0.914 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)C2 1795598350 SRXPTHNTRCFGSG-DCXXXQMHSA-N 487.626 0.968 30 20 JCED CN(C)C(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c1 1795602633 UXHUBTQFJHQEBJ-ACDBMABISA-N 455.559 0.873 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ncccc2n1 1797043518 GPRHYANZDLZIBM-AXVVYFOYSA-N 482.541 0.849 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccncc12 1797061555 AGCFIYYCWWHQFQ-WQDJSCAQSA-N 482.541 0.849 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)C1 1797120706 UDEZANMDEXBQSU-MDMSPXHWSA-N 464.563 0.744 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)Cc1ccco1 1800773275 HKQGBDOISFAGRL-MPWIWIEXSA-N 489.525 0.783 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801439872 NPIWISPCDTYBGT-QNDFHXLGSA-N 497.556 0.695 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(CCOC)n1)C2 1802128037 WCRFAWWTWVYVCY-DMUMMCEESA-N 489.573 0.649 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1803563206 IZORTUUUMQMLGQ-LMNJBCLMSA-N 464.588 0.409 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cccc(=O)n2O)[C@H]1c1cccnc1 1804946630 YTVKLDVDYOVCSM-JZACPFSMSA-N 451.483 0.659 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806851425 HNIQYPZUGKLMBK-SJORKVTESA-N 489.573 0.732 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807023960 ZTDAHWRCBKBMRT-AEFFLSMTSA-N 466.479 0.094 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807358129 WVMJNNYBRDHZST-FUOYKYTPSA-N 474.481 0.844 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816861 YVJWITMNOONEFJ-AWEZNQCLSA-N 469.462 0.351 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1819896245 LUIGMTADMMEUIK-YLCRAMQISA-N 464.504 0.182 30 20 JCED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1825105621 VZXNBNBKFRTYNH-IBGZPJMESA-N 482.585 0.857 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3nc[nH]n3)C2)C1 1828579322 FIZHSGIISPMKFJ-HOYKHHGWSA-N 480.525 0.909 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCN2C(=O)OCc1ccccc1 1828591839 BUKHYOUYYKSOEJ-YHEJKZAPSA-N 476.555 0.865 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828808000 DCDURHWTMCTUGW-UZUQRXQVSA-N 455.515 0.877 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829120977 JWKMFYYQAMIVBD-IQGLISFBSA-N 497.552 0.906 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCN2C(=O)OCc2ccccc2)C1 1829221264 NFBZDSZYIBVRAE-DFIYOIEZSA-N 484.553 0.611 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1830055910 HLHHJFMFLRSCSN-QFIPXVFZSA-N 463.556 0.639 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCc2cccc(C#N)c2)CCO3)CC1 1830459417 WPAOHUONVOZIEG-AREMUKBSSA-N 483.613 0.585 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1830469888 JUNHKZFBIXEXAV-DENIHFKCSA-N 480.970 0.725 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1830882477 VDBCSRZGPQKGSN-AOMKIAJQSA-N 468.551 0.268 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831223423 RSKWQVHDYPHLCN-DVECYGJZSA-N 477.558 0.492 30 20 JCED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1831276041 AXPMCYJWVNVIDY-HXUWFJFHSA-N 479.331 0.527 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1831410589 CLCYVJVNDMSEFC-MBSDFSHPSA-N 475.546 0.034 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1831999700 ACSJFEOEYVVTSY-YTZAWJCFSA-N 494.589 0.438 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1C)CCO2 1832463271 SMWYYRFWMHICAI-RHNBBQDISA-N 482.581 0.358 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)c1cccs1 1833031863 QNPWJVMGQADLAK-DEOSSOPVSA-N 467.547 0.986 30 20 JCED CN(C)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1833362584 NWVPIDAGRWWVJQ-JKJLQIMHSA-N 458.563 0.689 30 20 JCED Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1F 1833672280 JXILZFYNJFQGPG-WDEJNSOPSA-N 453.471 0.456 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)[C@@H]5CCC(=O)N5)CC4)CC3)c2c1 1834526621 KSKJUYSDBQXDSL-FQEVSTJZSA-N 463.542 0.898 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834589591 JHTOSAGORNUAGA-WOJBJXKFSA-N 489.617 0.753 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835315966 FQBXAMNSVRSQPC-GGUMNFRJSA-N 494.589 0.581 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835338877 XAYHYLFFFHMWRK-GAJHUEQPSA-N 478.546 0.382 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1835675169 KOGPNNBHMYSTOM-HSZRJFAPSA-N 461.538 0.892 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)Nc3cnccn3)CC2)CC1 1835745784 IRVNMFKNXIXNAM-XDXAGZTOSA-N 469.590 0.707 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836203933 SQXDBGDVFQSYNY-YADARESESA-N 489.573 0.565 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(Br)c(CC)nn3C)CCO2)C1 1836281644 JFSZIRARJVOCIM-BTYIYWSLSA-N 497.390 0.853 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836315969 LBFVFDFSDIBROT-KDGIGMFRSA-N 450.467 0.820 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C)CCO2 1836761573 STTZPMNDPVOYMX-PBQROFAYSA-N 493.601 0.984 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1 1837275163 JXJDTXKQHVCLPH-OAQYLSRUSA-N 457.466 0.100 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1837403435 STCFNIFSORGPOF-ZHRRBRCNSA-N 455.552 0.541 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1837430029 GGNWWNGMZIYLHN-QFIPXVFZSA-N 476.654 0.827 30 20 JCED CCN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1837533203 KZVXSENPMHDULH-VOJNIELOSA-N 466.579 0.704 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1)C(F)(F)F 1837550290 WZZXNWUQCKXRPZ-GOSISDBHSA-N 460.409 0.288 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837674837 OBBSIDNWLSNJAE-DVECYGJZSA-N 463.575 0.446 30 20 JCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)CC3)CC2)CC1 1837790872 ODGVFMKSBVKSSE-UHFFFAOYSA-N 461.544 0.754 30 20 JCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n(C)n1 1838043318 MEKBIQUJBVCACZ-XMMPIXPASA-N 458.559 0.751 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838404593 GJFZYQJLGDLDDB-BRGNJTTMSA-N 482.578 0.665 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4noc(C)n4)C3)C2)c1 1838579494 MKLGQTSIKIBXFP-QFIPXVFZSA-N 455.471 0.571 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)cc2NC1=O 1838588355 RPTMYDPMJLMSOG-CMJOXMDJSA-N 454.483 0.780 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)CCO2)C1 1839082784 QCKRFRXGOQGASH-LYXWCMDISA-N 463.575 0.417 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1 1839184984 JQDWMJOCAZZXCY-YADARESESA-N 499.605 0.965 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186245 IHWNKHONCGEKMR-DEOSSOPVSA-N 471.533 0.978 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)CCOC1 1839191769 NODNCMZYCLVKDV-LEWJYISDSA-N 452.508 0.040 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(S(C)(=O)=O)ccc1F)CCO2 1839477215 CXWJWODRWUCCET-NRFANRHFSA-N 452.504 0.713 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839623826 DDHSQFIMHXYROG-DEOSSOPVSA-N 463.469 0.990 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839773608 BZFIGKDXXLERPU-AUSIDOKSSA-N 466.575 0.949 30 20 JCED CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)COC1 1839778948 WIILTLGVKBFYIH-QHCPKHFHSA-N 453.499 0.931 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c(O)n1 1839781224 JHKNNGWFBAIDBN-WMZHIEFXSA-N 493.582 0.553 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(Br)cc1F)CCO2 1839802865 SRBUPUNSUQCLLW-HXUWFJFHSA-N 483.290 0.675 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)O)CCO3)N(C(=O)OC(C)(C)C)C1 1840029292 ZIIWHAJMMGUMRP-JLHGSKIFSA-N 453.536 0.389 30 20 JCED Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040938 GUIYBXWFXRMMHL-QHCPKHFHSA-N 490.513 0.530 30 20 JCED CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840041113 RBLBMXLENHHPTI-HSZRJFAPSA-N 477.514 0.098 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1840163193 FIBYVCWFKOKTCV-QUZFRVLNSA-N 463.600 0.397 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1)c1ccc(O)cc1 1840222345 LFUMIQJNPHPNIN-YKSBVNFPSA-N 467.526 0.637 30 20 JCED Cc1ncc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)s1 1840399608 DQYWTYLUNGSWTG-IOKPPIHOSA-N 466.560 0.979 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1841746800 GISGTUIMBWAJBP-LJQANCHMSA-N 477.606 0.823 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C1 1842912036 AKTANWKZLPDBRI-MRXNPFEDSA-N 452.552 0.941 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1845199797 VZZUWLAFDSIBTP-HZPDHXFCSA-N 451.568 0.642 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@]2(NC(=O)OC(C)(C)C)CCOC2)C1 1845206352 CPFMCIZRHLQJND-YLNCNTMDSA-N 462.547 0.732 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1846738744 IBXLGFYSYNZOHT-XDNAFOTISA-N 492.573 0.888 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)cc2)c1=O 501762014 KVLTURJUHUZJLK-UHFFFAOYSA-N 455.536 0.533 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1c(C)cccc1C 501992708 DDMSMXAFOFNWHJ-MRXNPFEDSA-N 451.552 0.904 30 20 JCED Cc1ccccc1[C@@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 600842810 RSWOTMXFDXFNGZ-HSZRJFAPSA-N 481.578 0.873 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(c3ncccn3)CC2)cc1 729377274 DLVFZLUUIRLUTO-UHFFFAOYSA-N 456.572 0.720 30 20 JCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 731127112 UHKVPXIJKRANEM-IRXDYDNUSA-N 464.544 0.135 30 20 JCED C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(=O)NCc1ccco1 744908691 WIKBLKCZPGAHIM-HUEFVVPSSA-N 475.527 0.852 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 798366030 GVXZJHGQSSFQJW-UHFFFAOYSA-N 494.551 0.480 30 20 JCED CS(=O)(=O)c1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 919034248 OGUAPNCMMLMGEU-UHFFFAOYSA-N 465.509 0.100 30 20 JCED CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1294901595 CRCOHPMOVNRFCU-OAHLLOKOSA-N 453.569 0.267 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(F)ccc2F)C1 1316355079 IWGNMNXWACJCEN-RDJZCZTQSA-N 468.486 0.666 30 20 JCED CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1503705639 YDHXXVNTYIEGNW-INIZCTEOSA-N 452.519 0.715 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1([S@](C)=O)CC1 1541675600 QVHJPZLBSIWGLO-CAROCFPZSA-N 471.591 0.704 30 20 JCED COCc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)ccc1F 1555307910 XTOROLOZWJCRLV-HKUYNNGSSA-N 494.549 0.674 30 20 JCED C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1611774724 KMOOFHDFAJLGDN-HRAATJIYSA-N 457.560 0.800 30 20 JCED Cc1cnn(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)c1 1612343317 NISGGBQHJAPTQH-QGZVFWFLSA-N 462.580 0.946 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@](C)(O)C3CC3)CC2)c1C#N 1612470293 OFFQCSSCUFAQHZ-QFIPXVFZSA-N 455.567 0.818 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)o1 1624270026 RHQRNPMXKAEEOJ-HZPDHXFCSA-N 450.517 0.808 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOc2ncccc2F)C1 1698313090 SFGFZSRAFGKHGW-HNAYVOBHSA-N 483.501 0.666 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1706622211 MRENWLQBIUYOPL-OAQYLSRUSA-N 471.654 0.866 30 20 JCED Cc1nccn1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1725707084 WDYBOHYCWYVSDP-GOSISDBHSA-N 462.580 0.946 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCNC2=N)C3)c(C(F)(F)F)n1 1777755297 HUKIBOGCMKAYDT-IIBYNOLFSA-N 493.490 0.940 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779072359 IRYKEKAZKLHBGZ-XXBNENTESA-N 483.481 0.373 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779422838 PHADFZQXDNMBBK-KPSJGODXSA-N 453.540 0.476 30 20 JCED Nc1n[nH]c(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@H]3CCCCO3)C2)n1 1779423203 ITPQFEWYXWAQNU-GRBWWHPGSA-N 463.539 0.362 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1)n1cnnn1 1783133950 PCFRCJWMRJKGIP-DKZVUGQWSA-N 453.503 0.699 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)=NO2)C1 1783455304 LBKOSCVZIPPHFW-OAQYLSRUSA-N 461.519 0.886 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1783783768 GYRGXUZSAOALOA-YGKZAACZSA-N 481.546 0.311 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2)c1ccc(O)cc1 1784019636 MNFLVRAPLSMFPM-BWKNWUBXSA-N 473.570 0.006 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOCCOC)C[C@@H]21 1784483066 XHVFILVDQSJYLP-CMOCDZPBSA-N 484.590 0.091 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1784786414 XCHAEEAJMZHNRJ-FJIDUMEYSA-N 462.551 0.727 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785328167 LNYMBHITDUKSGE-VFOQYASISA-N 464.588 0.927 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CN5CCCC5=O)[C@H]4C3)c2c1 1786734333 ASKBVBGKMQOYNF-IEZWGBDMSA-N 450.499 0.650 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1788639183 ICRJVWBMACPBHY-XSDIEEQYSA-N 457.483 0.646 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1)c1ccc(O)cc1 1788655047 LGBIGLGCKDWKBM-LLJVWMKMSA-N 485.581 0.520 30 20 JCED COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788660669 FFSORFRHMZAESV-GGWCFPGGSA-N 485.578 0.565 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 1790792581 SCUHZRFQCLMRKB-LNLFQRSKSA-N 471.558 0.903 30 20 JCED CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078940 MQWIVGBIDACYNA-IHRRRGAJSA-N 481.958 0.978 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21)c1ccc(O)cc1 1791335255 UZDSQZNEBPEWEG-WMIMKTLMSA-N 487.597 0.156 30 20 JCED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)[C@H]2C1 1792082164 CYYGAKGXMZSDAY-JBACZVJFSA-N 490.582 0.605 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)[C@@H](O)C1 1792449471 BEADPFWOEYKPLP-RVDAZCDBSA-N 461.559 0.607 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)c(O)cc1[N+](=O)[O-])C2 1792489749 OOSFCEBAPWPLGH-VKSZNNHQSA-N 474.470 0.371 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2ccccc2[C@@H]1O 1793031796 GJOLDZGDXYKSOK-QQPFGFLLSA-N 453.539 0.730 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCNC(=O)OC(C)(C)C 1793088765 OCUWETGRCZZZEB-HATOLVCRSA-N 481.590 0.937 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)c(C#N)c1 1796140036 ADQZFRXPJAAAJH-FAQVEIGNSA-N 452.467 0.819 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(N)=O)C2 1798358252 ZLDABFSCWZVPDZ-QKPAOTATSA-N 496.565 0.098 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(N3CCCN(C)CC3)c(F)cc1[N+](=O)[O-])C2 1800454100 WTWUMVLWSWYLEK-MFKICJERSA-N 473.505 0.712 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cnc[nH]1 1801243113 ZNMDVFIWIRSLTQ-ULZZCCSGSA-N 457.531 0.929 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801946819 RSTIURVKGFHOPB-QOSLBHJFSA-N 463.531 0.748 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1810248928 TWGUWCXARHFWGZ-XGXHKWSGSA-N 466.604 0.988 30 20 JCED CN1CCN(CC(=O)N2CC[C@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@@H]2c2cccnc2)CC1 1810358176 PLJPQMDNAQATIM-ZPBFJZMUSA-N 472.590 0.864 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cnc3c(c2)NC(=O)CS3)[C@@H]1c1cccnc1 1812879387 DVXQUWPVPQEZOE-VBKZILBWSA-N 465.491 0.928 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185818 UYSJBAOOMFDXBJ-BDGDHSELSA-N 487.607 0.806 30 20 JCED CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2)C(=O)O 1815080132 DNKBCSPXFHIJIG-KXAYJYFMSA-N 453.521 0.647 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(F)cccc3F)C2)C1 1829769351 RGKJSCCJSNAVTC-KSEXMQBYSA-N 463.481 0.822 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829898573 JUKLOARNBVLVOC-QFIPXVFZSA-N 461.540 0.463 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)c1 1830050872 WXFLUDUACNBIAC-HXOBKFHXSA-N 457.531 0.655 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221515 PLZLVZZYZHJFGP-HOYKHHGWSA-N 493.557 0.313 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831222761 GQLLMNZMLPNVLI-NTKDMRAZSA-N 493.557 0.313 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3COc4ccccc4O3)CCO2)C1 1831228175 PKPJVNIGHDPYEU-IMWIBFENSA-N 458.511 0.711 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831318243 FZAGOZCCPRNHIG-JPYJTQIMSA-N 492.598 0.275 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1831433571 WNYNLTWPTIECSF-HOOSLVGPSA-N 477.533 0.992 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1831484966 JVWBBSURZWFFIQ-WIYYLYMNSA-N 485.628 0.651 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)CN4CCNC4=N)CC3)CC2)cc1 1833106768 VHJRLKYMWYRHRZ-UHFFFAOYSA-N 451.575 0.512 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833619559 ADGLHBDGZDVBGZ-XMMPIXPASA-N 481.557 0.619 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833620888 LTJJORPHDVGIBR-UJHCQMTCSA-N 498.540 0.866 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)c1 1833834806 WUSXUCKQWRPXHC-JOCHJYFZSA-N 453.455 0.446 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccn2)CCO3)c(C#N)c1 1833977472 YZEKVDMDRHYXLA-QHCPKHFHSA-N 451.483 0.670 30 20 JCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1834518900 XREREOHJKIZTCT-UHFFFAOYSA-N 462.487 0.335 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)[C@H](F)C1 1834756441 ZWMQAXOKIOUEIQ-DRSNIGMVSA-N 468.526 0.952 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1835185849 SVGRUYHZWDHJTN-QFIPXVFZSA-N 461.540 0.529 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1835365958 ZKESRLJKZCEXOP-HSZRJFAPSA-N 479.578 0.299 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1835667511 GSTGDVZOHIIZNB-HSZRJFAPSA-N 460.531 0.509 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674761 LWMGBXNTYWQHCV-MBSDFSHPSA-N 458.563 0.620 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(C#N)c1 1835680057 DOIDEVXSUOXSMS-RUZDIDTESA-N 483.569 0.848 30 20 JCED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1)C(=O)O 1836409072 DUADTHLSDUSBBT-NRFANRHFSA-N 473.549 0.874 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C[C@@H](F)C1 1836620922 FBRDSAGEBKZMBM-JKSBSHDWSA-N 468.526 0.952 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)/C=C/C(=O)NCc3ccccc3)CC2)CC1 1836704133 OGUQFCDBLXREBZ-VOTSOKGWSA-N 467.522 0.946 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837112521 FTPMZZWLGSQMEU-HLJFKENESA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1837527086 XGTYCGNXHRGGIN-RIEGPKOLSA-N 485.541 0.862 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837545925 QHHBOMURAUURAZ-HSZRJFAPSA-N 460.531 0.938 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)nc1)CCO2 1838193458 HFGUWASMLOPQDU-YLNCNTMDSA-N 457.531 0.076 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnc4c2OCO4)CCO3)cc1 1838474580 JFXUEUXFXORTEU-XMMPIXPASA-N 464.478 0.995 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)NC=O)CCO3)cc1C#N 1839165170 BDAKDIONIDDTCK-SBUREZEXSA-N 458.515 0.550 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1839174186 KUGGCHWYETWISH-JOCHJYFZSA-N 462.503 0.455 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185514 DSOAGAJGKNZQDA-WAIKUNEKSA-N 460.506 0.611 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)ccc1F 1839187638 OEFMTZUMBAVHHI-QFIPXVFZSA-N 455.446 0.093 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)C1 1839222535 QQQXEHBFQRMERB-FOUBCARRSA-N 453.536 0.833 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839710853 JSZMPDVLXXDFLF-PNCHPQGNSA-N 492.577 0.765 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1839846638 YYHCMXUDFYNUIH-NFBKMPQASA-N 472.579 0.351 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)C2)C1 1840039717 FPFQXYBXJSWFGV-QFIPXVFZSA-N 470.438 0.094 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCC4CC4)c(F)c3)C2)C1 1840045175 VCMNCFLFKQNQAE-QHCPKHFHSA-N 460.458 0.773 30 20 JCED CC(C)[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1840107843 MIIQBFUNYCXFBM-UZUQRXQVSA-N 481.546 0.470 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840167102 XIWTVABRERUXNK-HJPURHCSSA-N 458.515 0.253 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269835 CYFGNYMXRUGCBD-AMBMRLSTSA-N 453.536 0.523 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840363280 RFQJVPMBTPJJFK-CLOONOSVSA-N 470.570 0.670 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CCO2)C1 1840371605 SMUWSOFBEGAMQW-YKSBVNFPSA-N 475.590 0.906 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)n1cncn1 1840416070 YVBQDGQCZCJOQS-JPYJTQIMSA-N 452.515 0.800 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1840916255 DYXILQKGITUHFL-ZSDSOXJFSA-N 475.608 0.425 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 477126378 OCAVODLKHAYLRB-UHFFFAOYSA-N 494.507 0.933 30 20 JCED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 479047925 MHPMFRHLCQWOKY-CYBMUJFWSA-N 488.360 0.908 30 20 JCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 507528061 HLVSYXKEFHVZDK-KRWDZBQOSA-N 456.546 0.137 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN(CC)S(C)(=O)=O)cc1 511347318 WEQGGFNYGWCZHI-UHFFFAOYSA-N 460.578 0.219 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)s2)c1=O 514476175 NSIDMYUSRWVWRI-UHFFFAOYSA-N 490.651 0.658 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C1CCN(C)CC1 517991946 QSZYGQODKGSEMZ-UHFFFAOYSA-N 452.536 0.710 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)s1 518199479 BGNQSTZHZQVNFN-UHFFFAOYSA-N 494.598 0.984 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1CCc1ccccn1 548945511 CDAXANQJEGLPLD-UHFFFAOYSA-N 452.561 0.971 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O 589157710 LQAAQHWQALGXCB-UHFFFAOYSA-N 461.927 0.938 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3ccnn3C)c2=O)cn1 608884112 SRCUTSGUVIGWMT-UHFFFAOYSA-N 459.491 0.573 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCS(C)(=O)=O 729673644 ZEMFGRJRJHASAS-UHFFFAOYSA-N 483.637 0.370 30 20 JCED CC[C@@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)OCC(=O)NCC#N 731241242 TUBIMBACKVMBRM-SJKOYZFVSA-N 472.951 0.918 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)COCC2CC2)cc1 749042991 LBEKLADKQVRTHH-CYMZXICGSA-N 452.533 0.342 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(C(=O)N2CCOCC2)cc1 823667599 FTEOXSKIHCZDTL-UHFFFAOYSA-N 456.524 0.904 30 20 JCED CCOc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1S(=O)(=O)N(C)C 915785068 FRTMVKKIOHAMNT-UHFFFAOYSA-N 460.516 0.769 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H](C)c1ccccc1 917794774 LOTPKOWJPCZYBV-MRXNPFEDSA-N 451.552 0.908 30 20 JCED CCC(=O)N1CCCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919472816 VYMYTPGTVUWOKL-SFHVURJKSA-N 476.555 0.725 30 20 JCED CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1503839215 NAIGUPPNPLUBBI-UHFFFAOYSA-N 451.578 0.949 30 20 JCED CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc1 1538478934 SKJKJBRWKWYKFX-UHFFFAOYSA-N 459.528 0.651 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(O)CCN(C)C1 1608563346 IOPKYUWBVVSGMB-HSZRJFAPSA-N 470.553 0.820 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1([S@@](C)=O)CC1 1608564963 YIRHIIJMOFEBOC-JGCGQSQUSA-N 456.576 0.921 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690329201 UQPNGPCCRNDDJR-OAHLLOKOSA-N 460.004 0.385 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722556095 NTWALCFQSDGGBM-HNNXBMFYSA-N 458.972 0.507 30 20 JCED CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1750213087 OJUMZMSMCGNULW-GOSISDBHSA-N 487.586 0.441 30 20 JCED CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1767806272 XEUMLYSRXKLBQQ-LJQANCHMSA-N 450.547 0.949 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1769127427 OGTHPMAZOYNXKO-YYAJDYIMSA-N 472.543 0.104 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778054974 DQQFBMGZXUWCJS-IQMFZBJNSA-N 481.513 0.815 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)CC1 1778114451 HKYMQLRMWIQEBI-QHCPKHFHSA-N 492.573 0.741 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2Cl)CCO3)CC1 1778354929 SKRXWVQSBBHUDX-QHCPKHFHSA-N 473.961 0.819 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1=O 1778710907 ULKQUSVDVBYZQV-UUVZMSSXSA-N 453.499 0.737 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO3)c1 1780167282 NFGKZUKAKIVAHW-CYFREDJKSA-N 488.541 0.896 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780197554 NYXARXGAAWLEIQ-QRQCRPRQSA-N 455.471 0.160 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)c1 1780599999 VNRWNMHHOGXFIY-HSZRJFAPSA-N 465.535 0.907 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781295469 RSRRHLMPRDKXOW-IERDGZPVSA-N 463.539 0.363 30 20 JCED CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)ccc1F)C2)C(=O)C(=O)O 1781543480 PTFAOQMPKLDKIO-VGOFRKELSA-N 460.462 0.368 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H]1CCCS1(=O)=O 1781655296 YLIHFHFHGOAHOJ-ONPBXAEWSA-N 471.576 0.607 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CC1 1781790067 BYBOPOYWWNTQDC-QHCPKHFHSA-N 474.583 0.868 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4C(=O)C=CC4=O)C[C@@H]32)cc1 1783440549 MONZLQFNTYJWEH-ACRUOGEOSA-N 464.522 0.786 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)[C@H](O)C1 1783478436 JIJWGOLBMYECBK-LUYSREMJSA-N 475.586 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)c3)C[C@@H]21 1783530544 CKGWGXWWWZNFOD-ZWRIWVSPSA-N 464.526 0.719 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1783531581 XFXXGCAEQPHHNW-JAYGYPRLSA-N 494.589 0.100 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783611626 FPKQEVLGKLNIEV-PRHHBONVSA-N 467.563 0.778 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)CCO2 1783908976 MTUWFWBVLITTQI-XMMPIXPASA-N 497.556 0.760 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1784786748 ZESGJHOXGHDOPE-VJANTYMQSA-N 489.573 0.692 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)NC(=O)OC(C)(C)C 1785303776 JPNPVKWPKYKXRI-MFEFFIJZSA-N 482.578 0.739 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1785451670 DVYANCYXPHHZQY-GQOCTPOGSA-N 459.518 0.741 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1785596548 ZORBTNQLWRIIIS-NPFVIJTESA-N 460.535 0.577 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787152263 JLRNHDHPSNXOGH-PYTWLRIVSA-N 466.560 0.005 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C[C@@H]21 1788572756 IQQNEUOCCTWQOX-LEUOFYLZSA-N 457.531 0.497 30 20 JCED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21)c1ccccc1 1788709616 ZIOBSMBXTOUAOS-WOZUAGRISA-N 469.538 0.706 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(C)=O)C[C@@H]21 1792258756 PVNMRLNRCBSKEB-HZZCBIDNSA-N 464.563 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(C)=O 1792539746 ZKDBUZUPDFMEKH-PJVZLEMVSA-N 464.563 0.407 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1792793826 JGSWMESEFXBTRX-GWAAQYKKSA-N 499.630 0.276 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793085642 BZKJOIADRKRBMB-QEOTZNIISA-N 459.609 0.806 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ncn1 1793493624 JDAIXHURKJKTFF-BASYENTBSA-N 459.503 0.302 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCCNC4=O)C3)c(O)n1 1794490685 HNOBVBNEDFDCTH-VPTLXERWSA-N 494.552 0.753 30 20 JCED CC(C)n1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cc1C(=O)O 1797808940 RZIJHOIMPGLSKS-ZUSSLCPFSA-N 477.518 0.894 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccnn1 1800271550 WDEWOZPRNQDBEM-AVEIZBFRSA-N 460.535 0.345 30 20 JCED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 1800872094 FHQSCDSFDDZODG-YVWYUNDQSA-N 468.963 0.902 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCC)cn1)C2 1802125419 XDBGUZGTKDVDKB-CLWJZODNSA-N 487.557 0.995 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccn(C)n1)C2 1802126142 CGOMRRYKKFQVKP-YNVMFWSZSA-N 459.547 0.469 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1811500742 OQYQLHJIZDVNBJ-LBKNJMOBSA-N 460.531 0.969 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1811720967 HULQGSSACGITKZ-YWZLYKJASA-N 487.455 0.852 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1819777138 RFEOGERSEFWJQV-LMHOGXDRSA-N 450.565 0.177 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819780415 AYZFCBTWLVCZRC-YHALKEMLSA-N 486.602 0.997 30 20 JCED NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1821036806 NKHZXINNGWBEER-TZJPTUFISA-N 473.515 0.787 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1C(=O)c3ccccc3C1=O)CC2 1825661491 UDQGOTPPVIJCSM-LBPRGKRZSA-N 466.475 0.829 30 20 JCED C[C@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828576239 WWSVYDLTIPRLMG-DFBJGRDBSA-N 466.538 0.986 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829205595 CHLQGUCQMUUEPS-WATLYSKOSA-N 468.554 0.575 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)COCCO)CCN3C(=O)OCc3ccccc3)C2)c1 1829227655 LBLUWMPEMOHWQT-VWLOTQADSA-N 495.536 0.961 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC)c3)C2)C1 1829765477 XUSCBZGLVJRXEL-IBLIISRWSA-N 457.527 0.553 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3C)C2)C1 1829773455 KDDBZWHUAIGICL-FUMRIQNTSA-N 459.547 0.287 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)C#CC(=O)O)CC2)C1 1830249713 MOJJXQUEIUYSIZ-QYZOEREBSA-N 477.558 0.922 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831215364 JNJIWBCTHDKEIU-MBSDFSHPSA-N 465.547 0.396 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831392329 KEDUPMXZPXTWGZ-KHCICDEESA-N 479.574 0.738 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)C2)C1 1831425390 UBZHTSBKRSRSEZ-UQBPGWFLSA-N 499.568 0.541 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831466582 QFZNAQRZEOZJKP-VGSWGCGISA-N 479.555 0.074 30 20 JCED COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1832767036 CDKACJBHYXDRQI-RUZDIDTESA-N 471.554 0.788 30 20 JCED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n1 1833092573 SDADLSJOPYNRFN-HSZRJFAPSA-N 463.498 0.710 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833388138 QNBDAWGVUHTTLC-UHFFFAOYSA-N 450.536 0.520 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1833465629 MSVHNXUHCXVMSG-SFHVURJKSA-N 482.647 0.268 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cn3nc(C)cc3C)CC2)CC1 1833836536 UORIXJDQJINRHR-WAYWQWQTSA-N 456.591 0.930 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835354509 MHBLXKSTBCBIPD-HOIFWPIMSA-N 466.535 0.117 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c(Cl)c1 1835637601 JYWZJXDBTBPOOV-NRFANRHFSA-N 460.922 0.122 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)ccc12 1836253996 PARUTQLVSHRUID-RUZDIDTESA-N 480.521 0.994 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836260468 ZDBPKOVPEVXADK-SFHVURJKSA-N 474.486 0.120 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1837398905 KVHDCGZJLPVJRN-PGRDOPGGSA-N 466.604 0.981 30 20 JCED COc1cccnc1CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441207 XCQQLYYSIBZTSS-NHVVDLMHSA-N 473.574 0.951 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837444318 XZFRBUXJPOMNJR-LFPRNVEMSA-N 465.551 0.444 30 20 JCED COCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491705 VYULTZROMXNRHY-HSZRJFAPSA-N 461.515 0.590 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837759222 WWJNLZQJUJJYMU-RUZDIDTESA-N 486.569 0.694 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)CNCP(=O)(O)O)CC3)CC2)c1 1837835979 PHEHZQZRXOGLEY-UHFFFAOYSA-N 453.436 0.223 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838422463 BDSANQSTDLMMMF-QFIPXVFZSA-N 455.519 0.081 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)c1ccc(O)cc1 1839080471 WSXHRUKRHMHKBU-TVPUMLRDSA-N 471.554 0.068 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1839130634 KHYUYXJSPBZUTB-PNCHPQGNSA-N 467.563 0.520 30 20 JCED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131488 HHEAAWLFTDSHLG-YJGRUCBDSA-N 459.543 0.973 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1839174171 JYNVZNLAOGHPQX-QFIPXVFZSA-N 464.519 0.701 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1839174234 OBDXYADGDCSAMD-HSZRJFAPSA-N 460.531 0.727 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(I)c1)CCO2 1839268457 SBWQOEGUEDAWKI-SFHVURJKSA-N 454.264 0.994 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)c1=O 1839361333 CPWAAWBRSWWVJQ-XMMPIXPASA-N 450.495 0.835 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(C#N)ccc5F)CCO4)C3)CC2)CC1 1839421393 NEUBXIDNLWOYEU-DEOSSOPVSA-N 485.560 0.547 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839432099 BDCOZSQAPDYMIT-LHSJRXKWSA-N 452.891 0.860 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839447897 COABKTVVEHALTP-IFXSCVBMSA-N 463.487 0.697 30 20 JCED CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)CC1 1839485923 CNUWTCSJFDRHOT-XMMPIXPASA-N 466.542 0.846 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839624346 DTJZERMIBKEMPO-NWBNNPRYSA-N 473.509 0.410 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839633496 IPIBTGBYRGHTQE-JLGINSKQSA-N 456.543 0.800 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)c(C#N)c1 1839652052 LUJAUUUPIQMZHT-VWLOTQADSA-N 495.536 0.694 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)cc3F)C2)C1 1840039958 FGEVYQLAVXIADF-LJQANCHMSA-N 469.263 0.746 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)C2)C1 1840044566 LZFMGGSMHQPRPK-DEOSSOPVSA-N 491.541 0.178 30 20 JCED CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044875 DKBIADWLBYFPIR-SBUREZEXSA-N 481.546 0.470 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC[C@H](C(=O)OC)C3)CCO2)C1 1840146871 BIETZYZSXMVMCI-LYXWCMDISA-N 466.575 0.995 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1840147194 LRXINABKKJUMGH-IXFSTUDKSA-N 458.515 0.936 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840344577 KPZUCBMBWVPJBE-JTSKRJEESA-N 476.534 0.216 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1840368394 NXCUODAEXFUJGM-KRAMAXKOSA-N 450.492 0.511 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)ccc1F 1840381304 VBNPNONRHRKUBE-NRFANRHFSA-N 474.518 0.607 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812562 XHLIQTQNSLZNDS-KOSHJBKYSA-N 492.573 0.773 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1840820333 KREXBWFUGNECMO-OBFMXLEASA-N 455.511 0.961 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1840845245 QDRAVTLEEMUQLF-MBSDFSHPSA-N 481.546 0.313 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1)c1ccc(O)cc1 1840921989 CIPJJIYAURAYDT-WZONZLPQSA-N 458.515 0.014 30 20 JCED O=C([C@H]1CCc2nc(O)nc(O)c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c1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnc(-c3ccco3)n2N)CC1 27260535 SONKFRSGZXAENX-UHFFFAOYSA-N 473.540 0.749 30 20 JCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC)CC2)c1 495236377 FJSYRHLDSCGHDS-UHFFFAOYSA-N 492.535 0.887 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C1CCN(C)CC1 516375790 MFGGGCVWGIFIFR-HNNXBMFYSA-N 458.559 0.970 30 20 JCED CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 516443516 DQZDXOSGNYPIAH-UHFFFAOYSA-N 476.536 0.433 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C#N)c(Cl)c1 522541784 WAENIOMGFNXHQQ-CYBMUJFWSA-N 482.953 0.812 30 20 JCED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2)c1=O 524282105 PWSKKKGBTNFIFL-UHFFFAOYSA-N 472.586 0.999 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 590981891 JXLHONPKPXGMJP-UHFFFAOYSA-N 498.608 0.891 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608829025 XAGGFLOAPJDDFI-UHFFFAOYSA-N 497.602 0.420 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC)nc1 608884580 NTERNCAEOLRGAP-HNNXBMFYSA-N 450.520 0.957 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)c(-c3cccs3)c2)c(=O)n1CC(N)=O 608910866 UDSKTMMNNZARKT-UHFFFAOYSA-N 498.561 0.625 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(F)c1 726584233 PAJHQIVKLLEBIV-UHFFFAOYSA-N 457.487 0.046 30 20 JCED Cn1cc(/C=C2/CC(C(C)(C)C)C/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 844152276 CHTADWWLEMWVCN-SFGFDRCGSA-N 454.527 0.974 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)c1 875244148 RUZGBKNONDIGJP-NRFANRHFSA-N 453.411 0.014 30 20 JCED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 916893226 XYNGJMPDDAGAAE-MRXNPFEDSA-N 451.501 0.345 30 20 JCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCNc2ncccc2C#N)c1 917156229 FGJQBAVDFRLBAG-UHFFFAOYSA-N 458.544 0.942 30 20 JCED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 918774449 DNHPWQHCUHYXCS-GHTZIAJQSA-N 463.556 0.836 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 920396809 PWBPCCWAMCFZPG-UHFFFAOYSA-N 454.464 0.729 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1360136545 MMVFDHCSGOWGJC-LJQANCHMSA-N 495.650 0.586 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCN(C)C(C)C)CC2)c1C#N 1492727368 QHZNGNXGYVNBCU-UHFFFAOYSA-N 456.599 0.997 30 20 JCED CC(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1508871262 KJGVBTLEWFSRQC-CEXWTWQISA-N 481.623 0.460 30 20 JCED C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)N1CCSCC1 1541806621 PVXCFYMZHMPLIO-HNNXBMFYSA-N 455.610 0.517 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCc1cnn(C)c1 1692792133 CGQDIQARMHCYHV-QAPCUYQASA-N 461.596 0.431 30 20 JCED CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1728194165 QJPSWGIOGCOXDJ-GOSISDBHSA-N 455.519 0.596 30 20 JCED CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1747394570 SZWSPGDFTQIIKQ-CQSZACIVSA-N 454.578 0.625 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778055199 MAPMRDJZGIXEIE-OSPHWJPCSA-N 480.525 0.587 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)no1 1779122547 CYXLKBOHPHUNTJ-YIPJSWNASA-N 463.491 0.072 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779423668 WIPWHPDAJRRWGW-NGMMCZPLSA-N 474.518 0.232 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1779428479 LWTLVGSDDCCLQV-ZLBCRMHBSA-N 450.536 0.556 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1780032680 MAVJSBONWHWBHU-CNXHMKESSA-N 476.537 0.872 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2 1781270297 GPZBDSLWNHHBIY-JOCHJYFZSA-N 457.487 0.284 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1781294817 JZZVFOOQSPXDQJ-HOIFWPIMSA-N 452.552 0.810 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)N2CCOCC2)CCO3)ccc1Br 1781904055 YIJAZAUJBZJSPH-FPOVZHCZSA-N 493.358 0.415 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783115980 BSFZODCUSCEEDV-GSHUGGBRSA-N 463.535 0.572 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1783276565 UVCMASVIANQSDA-PDSXEYIOSA-N 451.524 0.183 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C[C@@H]32)cc1 1783605337 RQTVOJYSVLDNMI-JBACZVJFSA-N 493.589 0.986 30 20 JCED CC(=O)NCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783782492 WQXMSXKYAHHZAD-VGOFRKELSA-N 486.635 0.944 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1784486689 HWVWPSVIJQBCIZ-OWSLCNJRSA-N 467.538 0.963 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1)c1ccccc1 1784953450 KBDXFQHYPMOQNI-TUFLPTIASA-N 466.538 0.715 30 20 JCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1785014929 GQGJRCHDIQFRDE-DNUAJFIVSA-N 462.572 0.892 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1785574788 RUESWFSMMUYICZ-NYHFZMIOSA-N 461.519 0.925 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1788570258 PIPXVPDKDWSTKY-IECFSIQFSA-N 469.579 0.425 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1788601158 KVDJWIRAHXQFQT-SMGBPWBFSA-N 486.573 0.444 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1791108602 YYBYMPJSJGPQCA-WBAHDQRJSA-N 457.593 0.655 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(C)c3)C[C@@H]21 1792262160 ZYLNVCRGWHKPFH-KANFNMMFSA-N 459.547 0.930 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1792792845 NQEYLGFQGRHVBY-HPJXXVIVSA-N 469.604 0.651 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1793313639 AEABBNDHYGPFNH-FRQROOTJSA-N 452.508 0.228 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1(OC)CN(C(=O)OC(C)(C)C)C1)C2 1793343078 JXACLRFVPQTJBI-FTEYMNFISA-N 479.574 0.640 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796738597 WAEKMMCMGXMQBI-NLQQGEAXSA-N 450.536 0.369 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797739995 NPARLFCYZGGXJS-BTJLKBTPSA-N 495.621 0.979 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1797808986 VURDLUGHMDUQFO-JMNZSAOUSA-N 456.503 0.550 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2)C(C)C 1799385948 XNBVJLOTDPSXIQ-PJVZLEMVSA-N 489.573 0.251 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1800944845 HODWCKYONOVLSH-RBGFHDKUSA-N 493.648 0.222 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC 1801205269 VFLZHISDWKFWSO-ZMMAXQRCSA-N 480.562 0.629 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1802124600 BZQQPXZYPNQSQD-RCJHGTSTSA-N 491.520 0.902 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1802125243 CNASELKQDZNFCY-DMUMMCEESA-N 482.541 0.849 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cncn1)C2 1802140932 YNDXDKOKJUWOHN-ADPPENSOSA-N 474.562 0.898 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812872030 APLSQTDPTKCOIE-FERXELFHSA-N 478.505 0.355 30 20 JCED C#CCCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1814109105 OHEJFGBPECRSFM-VQQMMKBISA-N 483.594 0.681 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3CCOCC3)C2)C1 1829332516 PLDUVEHDWOKLEZ-VWLOTQADSA-N 483.521 0.953 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)[C@@H](O)C1 1829690513 APCJPFPHEATRFA-IUKKYPGJSA-N 480.562 0.364 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccc3C)C2)C1 1829764646 RWMBKBSYYIGAAL-RULWIFSWSA-N 456.543 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cc3ccncc3)C2)C1 1829771035 BSTNYEJPHNAHGI-BSYOABOOSA-N 456.543 0.575 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC3(CCN(C(=O)OC(C)(C)C)CC3)CO1)CCO2 1829846370 SYEDEEDOIOQHOT-DFBJGRDBSA-N 491.585 0.882 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1829848081 YBYSHKJKZXKVRW-OAQYLSRUSA-N 453.511 0.815 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1830385203 HDWCIMAZUHBVFJ-ZDYKIDIISA-N 486.591 0.018 30 20 JCED CCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830856659 VOGLCBZOFYLQDF-CYFREDJKSA-N 471.510 0.130 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831493797 VWVKLLANQAMDMX-NRJQMVOHSA-N 489.635 0.673 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831666303 WWABODUTWAAYLR-MSOLQXFVSA-N 465.547 0.970 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1832453397 YVIDPQBQJUKPMF-VGSWGCGISA-N 487.619 0.902 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4C(=O)c5ccccc5C4=O)CCO3)C2)c1 1832534875 LPRHCNUGQWGIQJ-VWLOTQADSA-N 491.504 0.643 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834590814 VDMHCJZNRGVZIM-QHCPKHFHSA-N 452.467 0.808 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)CC2)CC1 1834761367 ZORNNOSROOYOCL-XMMPIXPASA-N 475.590 0.079 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835146454 QIBQWPZACQWAQV-UZLBHIALSA-N 456.586 0.625 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOC)CCO2)C1 1835240395 QWYOALJDSXYUCV-NLSFWIRASA-N 467.563 0.949 30 20 JCED COc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)ccc1[N+](=O)[O-] 1835346018 NMUZYSUNJJJBNJ-QFIPXVFZSA-N 458.471 0.906 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835435917 WURQSXNUDNFCKT-MHECFPHRSA-N 494.589 0.228 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835891651 SEEXMOAHBSPSBG-YADARESESA-N 480.606 0.748 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccccc34)CCO2)C1 1836939252 BGRFLQIZAOMTAH-HSZRJFAPSA-N 454.531 0.915 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1837403474 UFDRIDYTFVKFHT-XNBKKKCTSA-N 483.565 0.926 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837531621 REVIIOMAWYRKIC-WTSMWHHMSA-N 467.910 0.729 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Br)cn3)CCO2)C1 1837826133 FOEDYFXAGHZYIM-QRWLVFNGSA-N 466.332 0.952 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838498980 KGFRRDDNOBVRTI-WIYYLYMNSA-N 461.544 0.114 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)c1Cl 1838595586 UEHGEMLJLMORGT-QHCPKHFHSA-N 498.927 0.535 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838773827 DZFDYVAGCDWWQI-OAHLLOKOSA-N 451.520 0.986 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)s1 1839034635 SYDAJDLMASMCAV-HSZRJFAPSA-N 492.598 0.815 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)ccc1F 1839188042 IKJPKBZZQJQNFR-QHCPKHFHSA-N 485.472 0.271 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1839225485 KRKOMJDCWDDPCJ-MWTRTKDXSA-N 458.515 0.801 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c(Cl)c1 1839422974 UXEKVUHTHFQDDM-ZHRRBRCNSA-N 460.918 0.808 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)cc1 1839664891 SBHNQHWNZHYCTM-HSZRJFAPSA-N 451.483 0.080 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(I)c([N+](=O)[O-])c3)C2)C1 1839809289 JWPHVPTZOUPKIM-SFHVURJKSA-N 499.261 0.903 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840060163 GDCIRLMWZZNWNV-IMWIBFENSA-N 477.558 0.227 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1840108236 HBJMQQJQIHCODA-YVHKJVDXSA-N 493.565 0.160 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840411427 RIRDXWJCPGKAFK-QHCPKHFHSA-N 467.482 0.262 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c(C(F)(F)F)n1 1840446511 BAEJLJPLLCRKFR-HXUWFJFHSA-N 493.446 0.724 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2)C(=O)O 1840713378 BZBQWABLPDQSSF-HFXUHXBXSA-N 458.515 0.446 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)CCO2)C1 1840757168 QSDKAZQNTPIOEB-OPAMFIHVSA-N 461.471 0.712 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841894575 QVYFMIBMONNKNH-GOSISDBHSA-N 498.646 0.780 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OCC)C1 1844159100 JVZJSGVFYKNUBA-DLBZAZTESA-N 480.562 0.951 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1845440318 CUDCESLPIDUEHY-CVEARBPZSA-N 480.562 0.950 30 20 JCED CC(C)(C)OC(=O)N1CCc2onc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)c2C1 1846195919 QNOBIWVZXCVESA-UHFFFAOYSA-N 458.471 0.873 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 1848150615 MKYQXYAIDAVBGA-ROUUACIJSA-N 475.509 0.129 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 514909063 VVLCZMGKZRDRAF-UHFFFAOYSA-N 462.553 0.806 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCCC(=O)OC 515684914 PGQPEAOYLUKGAH-UHFFFAOYSA-N 453.520 0.603 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 520165374 RYEZRJAEILCCSV-UHFFFAOYSA-N 471.451 0.907 30 20 JCED Cc1ccc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1S(=O)(=O)NCC#N 524579526 QXBSDRNYGNZXAS-UHFFFAOYSA-N 458.544 0.813 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O 589157269 UPPXCUHMYKLQAE-UHFFFAOYSA-N 454.487 0.233 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc3c2OCCO3)c1=O 603986073 JSRLBJNPXYXRKQ-UHFFFAOYSA-N 466.563 0.534 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(OC)nc1 726960868 BYMIUQJEUQYQCP-UHFFFAOYSA-N 471.564 0.723 30 20 JCED N#Cc1ccc(CNC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Br)cc2)cc1 728720402 LBSMOZLKHHUHIF-QGZVFWFLSA-N 496.339 0.820 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCS(C)(=O)=O 729674090 AXTMMPDVMWEGMB-UHFFFAOYSA-N 483.999 0.264 30 20 JCED COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 745536086 YCGJEIGKDHAHSM-SXGWCWSVSA-N 453.498 0.360 30 20 JCED C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCC[C@@H](C(N)=O)C1 857763595 PRUYLWXLMGUFRR-CRAIPNDOSA-N 476.555 0.615 30 20 JCED COCCNS(=O)(=O)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 917274248 HVKCLUCHWWCOON-UHFFFAOYSA-N 494.595 0.746 30 20 JCED Cc1nc(SCC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(C#N)c(C)c1C 919986645 JVVPUAHHMXVEDK-INIZCTEOSA-N 486.641 0.632 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1296288789 KPBDFGSNRBYMHU-UHFFFAOYSA-N 452.563 0.847 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1301758591 JSZDHCKTFYGEEM-IBGZPJMESA-N 487.586 0.679 30 20 JCED CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCOCC1 1302599616 ADBACSHOJMKTMQ-WBVHZDCISA-N 483.664 0.977 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1517621083 MOLSRLVFEWIVIL-ZBFHGGJFSA-N 466.589 0.875 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1705754951 IVPLDWUEEHRHMC-INIZCTEOSA-N 496.055 0.810 30 20 JCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1729203688 VASGNIZXJJWNAI-UHFFFAOYSA-N 466.589 0.769 30 20 JCED CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1746559396 MVTKIISDVRHDER-UHFFFAOYSA-N 483.529 0.866 30 20 JCED COCCN1C[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1=O 1769875389 IPHSTZXATKELSL-AEFFLSMTSA-N 458.567 0.088 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778945170 MJOXTURQGHTGQW-YKAGIRRDSA-N 461.519 0.162 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1779102327 XNWLNKFRHSSFJX-LTSNWUSLSA-N 487.557 0.891 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1779139212 QJPNTFIBMDRSJH-AMFJNGDOSA-N 480.481 0.834 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C2)C1 1781060848 DHLPMATUWSSVHJ-GEZZUNRVSA-N 491.585 0.879 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(CC#N)cc4)C3)C2)no1 1781793356 JHEWRPYPCGOZSZ-HSZRJFAPSA-N 451.483 0.923 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)ccc1Br 1781906331 VWDVZJCXTJBSTD-SFHVURJKSA-N 450.293 0.433 30 20 JCED CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)CC1 1782009500 NEQUTMJUPGRCOV-WAIKUNEKSA-N 463.531 0.893 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1782037040 PQRLJDVXSUPLMK-MPWIWIEXSA-N 450.536 0.784 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)c1ccc(O)cc1 1782751871 BTRSELYTSOJFPM-HOYKHHGWSA-N 471.510 0.262 30 20 JCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)CCO2)C(F)(F)F 1783203922 JYDAHSCSJICSSJ-OAQYLSRUSA-N 481.475 0.970 30 20 JCED CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1)C(=O)C(=O)O 1783443826 IMAAYTMEAYGCQR-FHWLQOOXSA-N 456.499 0.014 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(F)ccc1I)CCO2 1783562561 BIKYUSTXPPQHHM-SFHVURJKSA-N 486.237 0.962 30 20 JCED CCCNC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784376299 SWBLNNBFRTXQFO-ICAQXALRSA-N 452.552 0.802 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21 1784482858 HLUZXITWSCRKGL-UKJYUXCISA-N 451.523 0.914 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cc([N+](=O)[O-])cn4)[C@H]3C2)c(C#N)c1 1785218127 VTDISDWYRJPGSU-NDXORKPFSA-N 482.497 0.894 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccs3)[C@H]2C1 1785333216 XGPYKRSUVKIPSG-ULQDDVLXSA-N 461.588 0.739 30 20 JCED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622364 FYNOKYSLXBWGGM-KSFYIVLOSA-N 467.567 0.734 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786693421 WEBVQWGYXJKJMR-QAETUUGQSA-N 450.536 0.546 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789343077 ZRLQANLMCOKZNS-LAQRGFTBSA-N 461.519 0.365 30 20 JCED CC(C)(C)OC(=O)N1[C@@H]2C[C@H](F)[C@H](C2)[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791036608 AGAWCHVCHXHLHT-KIIJQXLRSA-N 493.532 0.790 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1791108402 OIIVYDAWSKLWCT-VYMYIBDJSA-N 487.557 0.850 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C[C@@H]21 1791258884 CUTXZBBNMHMZPU-CVYDXHPNSA-N 474.587 0.478 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)N4CCOCC4)C[C@@H]32)cc1C#N 1792058396 XNUDTSMNCKGUJZ-UYLMIGBBSA-N 486.569 0.589 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1792176760 YPGUDMXNOPDKLL-OKYOBFRVSA-N 493.605 0.721 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1792258827 QZTLLSVMBOYLQD-RZFLPCETSA-N 462.547 0.019 30 20 JCED CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)C(C)(C)C 1793198143 SNDVEIGQXMENDH-VKAGCSIUSA-N 452.552 0.656 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1796396943 SETVQATWFQEXHQ-YVSFHVDLSA-N 450.536 0.810 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1797808624 KWHTVXVKTJMKBM-VQMFFECGSA-N 498.536 0.791 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1797840051 UCCUTBBJTVHZRE-GTVAPADQSA-N 471.539 0.193 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1nc(O)n2c1CCCC2 1797985633 VKPCADMIIAQOOT-DBGBFXKQSA-N 461.519 0.657 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799239958 RGZRZUGDVTYMRD-HEFCWWFNSA-N 457.531 0.407 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C3)C2 1800326865 WEJUHZSSYQVYQT-LJCCNALRSA-N 480.525 0.725 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCCCNC(C)=O)NC(=O)c1ccccc1 1800338844 SRNAANPKUMQCBO-ADYITMSISA-N 468.554 0.314 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800779149 VNHYOEWPIZDTNI-OLMRKFRDSA-N 467.494 0.403 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)=O)C2 1802140886 TXYMYKORLAXQOS-PZPPHJHLSA-N 450.536 0.182 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)c1 1814807855 JMISDXRQWITPKG-HIFRSBDPSA-N 456.528 0.842 30 20 JCED Cn1ncc(I)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1817912212 WDABPMLXBYNQBL-QMMMGPOBSA-N 499.290 0.795 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3n(n2)CCCNC3=O)n[nH]1 1818972906 BGCZLPNTXVPNIY-QWPQOLDESA-N 480.529 0.904 30 20 JCED CN(CC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(C#N)ccc3F)sc2C1)C(=O)C(=O)O 1823669499 KWIZUWFRCJTFGW-NSHDSACASA-N 459.459 0.923 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3n(n2)CCNC3=O)CC1 1823742707 DIEAEBDLQXNZQY-RURPWVQCSA-N 468.558 0.718 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827401815 OYSCRTSHPIZBBU-IAGOWNOFSA-N 457.535 0.619 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(O)O)CCN3C(=O)OCc2ccccc2)cc1 1828524543 AIVSZTXIZSZEOD-VWLOTQADSA-N 478.505 0.935 30 20 JCED CC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828574502 AUQVOXUOUPRLSL-RUZDIDTESA-N 466.538 0.988 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829712875 BJFLGAJIPLVOQU-XZEIMLRBSA-N 450.561 0.204 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC(C)C)nn3C)C2)C1 1829764894 CCDAPNQUFBPFRR-POUSAUBHSA-N 473.574 0.547 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC3(CCN(C(=O)OC(C)(C)C)CC3)CO1)CCO2 1829846369 SYEDEEDOIOQHOT-CLOONOSVSA-N 491.585 0.882 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1O 1830248278 LJNBXTQXVPXFOW-SFFGGSCWSA-N 474.558 0.871 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1830573874 CZTVELLUEDJDMI-YVHKJVDXSA-N 486.566 0.129 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)C(C)(C)C)CCO2 1830634076 DOVWKGNYRRPQEG-HOOSLVGPSA-N 481.590 0.766 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1830881124 BAESQVGFBJKECQ-JTSKRJEESA-N 453.536 0.655 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1831418759 GPAIUDLCZTYOBY-JXQFQVJHSA-N 497.589 0.670 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1831433572 WNYNLTWPTIECSF-QZTZHPFYSA-N 477.533 0.992 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1831722775 AFHIEHHGNPKOTO-NXQMDHLFSA-N 491.585 0.881 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC)C2)C1 1831998653 PSPAMLDLZMHEQS-IEGUWTFLSA-N 468.595 0.910 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831999204 XOPHKIVJXLSJGA-VGSWGCGISA-N 478.550 0.204 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4sccn34)CC2)CC1 1833466871 BBLMSWDTCCAZHH-INIZCTEOSA-N 471.583 0.980 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)NC(=O)OCC)C3)C2)c(O)n1 1833699984 KDYICSVUMMKXET-CVDCTZTESA-N 492.529 0.040 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834450667 UXYMXMOVIIIEHE-UOKFIYJESA-N 489.573 0.960 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1835250211 IMRLWNYFXJVLMQ-UHFFFAOYSA-N 459.459 0.272 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cnc2c1 1835341716 AXYPUWQJDZUZBL-QHCPKHFHSA-N 451.483 0.377 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(NC(C)=O)cc3)CCO2)C1 1836662036 OAOAUURPQQSTAS-KOSHJBKYSA-N 457.527 0.682 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836872235 YZDGEXBJZRVUIY-SGCYSOCQSA-N 455.519 0.271 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837196655 VNRQLBRNJDFDBC-WUKOTQDVSA-N 455.519 0.500 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)c1 1838642902 RHGNYTGGQODNAU-MWTRTKDXSA-N 451.483 0.781 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908090 GTGDGMOLZSNZMB-JPYJTQIMSA-N 474.514 0.471 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c(C#N)c1 1839133473 RLEOGVSMRBLURN-HSZRJFAPSA-N 468.514 0.248 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204026 DWQITJOMKSXTFQ-JPYJTQIMSA-N 467.563 0.522 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cc1 1839363491 WVLAZWONCJSEQP-NRFANRHFSA-N 454.443 0.768 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839364119 NGSWOBTTYMBZKB-DHIUTWEWSA-N 459.499 0.438 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419994 HBJYGJZCLBJCFO-QFIPXVFZSA-N 455.446 0.880 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c(Cl)c1 1839423711 RQDMPSIOPQNKLH-LJQANCHMSA-N 451.936 0.908 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1839453629 ULCJTRBEQCWNRZ-DENIHFKCSA-N 461.540 0.514 30 20 JCED Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cc1O 1839487465 JWDZRNWPMDLYQO-QFIPXVFZSA-N 465.470 0.257 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CC4)CCO2)C1 1839608361 ZVSZQISPRSHGJL-BXKMTCNYSA-N 455.511 0.680 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839772001 LTFIZCACONBXPZ-NRVIRDBHSA-N 453.511 0.717 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840037807 RROXYIPUARJGOY-YCULYRLHSA-N 483.565 0.926 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840158787 QCBYBMPKUVQDAX-KUHUBIRLSA-N 457.574 0.015 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840164952 UFLQYCVTEAASLX-KEUIZBKNSA-N 499.630 0.643 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1)c1ccc(O)cc1 1840219640 WPCQLULLXIIBSX-NBGIEHNGSA-N 485.537 0.798 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1840908343 JQJARJWJIFZYJH-CYFREDJKSA-N 480.606 0.700 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)C)C2)C1 1840909624 YAXHKSJGNDCDBS-DVECYGJZSA-N 480.606 0.748 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)C1 1844288508 DOIIINSVGFUPCW-MSOLQXFVSA-N 479.530 0.601 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nccnc1C(N)=O 1847941027 NAJOEKQWVUJWII-ILXRZTDVSA-N 458.519 0.860 30 20 JCED Cn1c(=O)c2ccc(C(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)nc2n(C)c1=O 481825444 NIVRYWPNMOBLHD-UHFFFAOYSA-N 461.438 0.714 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cc3)c(=O)n2CCCC(=O)OC)CC1 501762154 LGLOWZKVYACNMS-UHFFFAOYSA-N 482.606 0.839 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)C1=O 556981394 DILFZLPJMABEBK-UHFFFAOYSA-N 452.471 0.666 30 20 JCED CC(C)NC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726404231 UCZRDEPHDFFGMF-UMIVRTMYSA-N 481.600 0.327 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCS(C)(=O)=O 729672973 AXMNRRUDROEAEQ-UHFFFAOYSA-N 453.611 0.744 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3c(C)nc4c(c(O)nn4C)c3C)CC2)o1 729755591 XLMHRXBBCJLYPJ-UHFFFAOYSA-N 467.486 0.893 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N(C)CC(=O)NCCC 730029999 ZPIOODLNDQEMCK-QHCPKHFHSA-N 456.499 0.679 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 915250414 VDWZUSTWNOGVNB-LBPRGKRZSA-N 457.461 0.164 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 918617638 YKUSZMKKBPDMHN-YJRIJEEWSA-N 482.584 0.474 30 20 JCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCC(=O)N(CCC#N)CCC#N)CC1 927301717 ZJVIEZTYRGSKIS-UHFFFAOYSA-N 450.521 0.626 30 20 JCED CCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)NCCNS(C)(=O)=O)cc1 1338639252 RGXIQFRBHHBPGJ-UHFFFAOYSA-O 454.550 0.994 30 20 JCED CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1503697886 NXNVNWXUJJTJMC-MRXNPFEDSA-N 480.577 0.549 30 20 JCED N#Cc1ccnc(N2CCN(c3nnc(C(=O)N4CCCC4)n3CC(=O)NCC(F)(F)F)CC2)c1 1505319744 JGRRTIHGHVXPQY-UHFFFAOYSA-N 491.478 0.786 30 20 JCED C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1507860039 INOVRSROIIPYGN-UHFFFAOYSA-N 456.942 0.931 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@@H]1C 1519164509 JKIMPKKJDBDUGK-ABSDTBQOSA-N 470.596 0.529 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1554150870 ZJSAHWHRIOOFHM-SFHVURJKSA-N 458.544 0.547 30 20 JCED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1559637759 ZGYHPXRYZRRWAM-BPQIPLTHSA-N 452.602 0.964 30 20 JCED CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1615213418 KZCXFBSPTPCCCS-KRWDZBQOSA-N 466.589 0.769 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1615881551 XNNOUMRTPUWRMI-IPMKNSEASA-N 465.624 0.183 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1=O 1619927564 JICVVKOBNFTEGG-MJGOQNOKSA-N 472.571 0.935 30 20 JCED CC(C)(CC#N)CNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1681880544 XFAIFSKVLUHQMO-UHFFFAOYSA-N 450.565 0.874 30 20 JCED COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1711885190 MNNLAQYEMYPDKJ-QGZVFWFLSA-N 450.521 0.486 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2CCCO)c1 1712687082 OJCHYZCMHVWELJ-RTBURBONSA-N 474.587 0.924 30 20 JCED CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCN(C)CC1 1712752910 MOPXDYIJQSGEAR-CABCVRRESA-N 457.626 0.444 30 20 JCED C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1723894263 LOPPYUZHGDTNQT-QGZVFWFLSA-N 490.586 0.847 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC1CC1 1729409447 JOWRRQKQMZEXLU-LJQANCHMSA-N 487.586 0.645 30 20 JCED COCC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730633929 OPRVEJKGSVYRPM-HTAPYJJXSA-N 454.535 0.610 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1747438809 VNWWWKXRMSIHIG-UHFFFAOYSA-N 455.548 0.902 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)F 1752281705 PJCYZRKMBMTIEW-AWEZNQCLSA-N 488.503 0.159 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)cnc2c1 1777998073 BUZKRYWGJKXUPW-VHWNGOAXSA-N 483.525 0.975 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104572 MFGZWXOHJGTSHT-RIJOMMHVSA-N 498.577 0.885 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1779329712 AGASEHDOCNHXSE-BIZBXSGISA-N 459.609 0.401 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780362603 NBOQLEXFZYYXEE-WJBWCUNQSA-N 460.413 0.796 30 20 JCED Cn1c(=O)c2c(CC(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CCC#N)C4)csc2n(C)c1=O 1780539207 HIJOEJGBFRNVGJ-WAIKUNEKSA-N 487.582 0.659 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C[C@@H]21 1783531848 ZTNIXZMGUZBLOS-VPQGIPPWSA-N 464.526 0.923 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783566196 QZJZGBIYQDEGHA-QHCPKHFHSA-N 457.483 0.010 30 20 JCED CC(C)(C)OC(=O)N1[C@@H]2C[C@H](F)[C@H](C2)[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567056 DKJWFIZGPHXAOU-BCMNEKMPSA-N 479.505 0.640 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786562489 SBMQXCLRSVOZKJ-MYGLTJDJSA-N 456.495 0.513 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21)c1cc(=O)n2[nH]cnc2n1 1786976423 FTOFDRKYFCUFIL-SWSUPBTISA-N 482.522 0.512 30 20 JCED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906158 BMGDKMRDGGZQLM-IEZWGBDMSA-N 451.520 0.654 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1789958894 XMMBFIBTJHQANA-DNCCFGNJSA-N 456.540 0.610 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790655180 SFQFHGMSIBOILW-DZKIICNBSA-N 454.430 0.948 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)[C@@H]2C1 1791077702 FKSZQQWNIDCCKE-SAKUIJKHSA-N 461.515 0.167 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)[C@H]2C1 1792272736 VPJHIAWORBXLBS-HVMFNXBNSA-N 481.590 0.669 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)C2 1793345379 NTTPKQDGUIWKIM-KTIHBUSBSA-N 495.576 0.709 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O)c1ccc(O)cc1 1796324021 MERORMAYLIXOJW-BCOJKNMUSA-N 456.543 0.926 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 1797368630 WBZBFKIAZWPSLT-UKBAYJJMSA-N 482.541 0.849 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1800723994 XPTOILUDHWJAFG-VKPOMUGMSA-N 491.585 0.496 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[S@@](=O)CC)C2 1802125164 ABPFCZAISPWASW-XAUFPCHMSA-N 469.604 0.651 30 20 JCED C=CCSCC(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804194630 OMLDPKGFHAGUAR-WIYYLYMNSA-N 466.629 0.737 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807947022 XPXLCCYEEBMXJI-HFTRVMKXSA-N 466.502 0.100 30 20 JCED C=C(C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1)C(F)(F)F 1807950065 SKMWZOAZPSAJAX-DOMZBBRYSA-N 462.392 0.646 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)C(=O)C(=O)O 1810397840 BKMLDQHFTHZUBT-IXRVLNTNSA-N 455.471 0.343 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)nc3cccnn23)[C@@H]1c1cccnc1 1811334480 OFFVHPCJANPLGG-YQFKSVOFSA-N 487.520 0.663 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3c3cccnc3)c2c1 1812069233 UUCAJUCATDSWKZ-XERREHJYSA-N 486.492 0.747 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CN4CCNC4=N)[C@H]3c3cccnc3)c2c1 1812069559 DWWXRBFAAKWLOK-JTSKRJEESA-N 471.525 0.989 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814230221 GLMAGAPQPIOHAK-JENIJYKNSA-N 472.546 0.672 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1819900611 NEZUDOWJCRQNHA-KMVNIHSGSA-N 475.527 0.899 30 20 JCED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN(CCO)CCO)CC3)cc1 1823496615 BDESTPYXIPSNPM-KRWDZBQOSA-N 457.556 0.722 30 20 JCED C[C@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)N1C(=O)OC(C)(C)C 1829642795 JNSSPKPXHHXEGJ-HKARXFIJSA-N 479.530 0.319 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C1(O)CCC1 1829745605 IGLHTANKPKKOSU-JPYJTQIMSA-N 457.527 0.945 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4occc34)C2)C1 1829765302 SYHMFRSKKDDTRY-GYLQWBMOSA-N 454.483 0.756 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)C1 1829768784 HCJXJADIVJHHFU-UEECBTJFSA-N 498.536 0.334 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1829773436 JDKHGEOOYSQKFN-RRFNBQSRSA-N 484.553 0.121 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1830345635 PBNFNJKPVNOQOT-WMZHIEFXSA-N 451.564 0.766 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456198 FLOBHLNNWWCNQC-URXFXBBRSA-N 456.543 0.862 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c1 1830464292 BDRMTMUDVRZZFW-HSZRJFAPSA-N 452.515 0.629 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1830886229 SKFOEARLCNRRRT-IIBYNOLFSA-N 491.532 0.930 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)cc1C#N 1832701622 KRHNRFPCNCRMJM-UUOWRZLLSA-N 499.524 0.014 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832947126 VTRSPOHXSSVCRE-HSZRJFAPSA-N 453.499 0.749 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833172446 NBYJNFHKTCHIHC-UUOWRZLLSA-N 487.557 0.392 30 20 JCED CN(C)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1833364635 VSUHVABHONJXND-XQHLYRQSSA-N 475.546 0.747 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CC2)CC1 1833464889 ARTOQISVYQFALK-WIYYLYMNSA-N 494.633 0.872 30 20 JCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c(F)c1 1833631802 BEJGEZWSXPKUCN-UZLDXKMBSA-N 480.493 0.828 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n(C)n1 1834165466 MBGIAQJERASFNL-QHCPKHFHSA-N 453.499 0.749 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835127008 JWZZHZWSNRRYMX-UOIPHLHCSA-N 492.573 0.191 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)Cn3cncn3)CC2)CC1 1835805328 AKAAMODHNRRCKL-PYTPGESOSA-N 457.579 0.344 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cnn(C)c4)CCO3)C2)c(C#N)c1 1835988124 CSERYQUHYQPUQL-VWLOTQADSA-N 481.553 0.932 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)s1 1836083880 YMTNHAGUIFMDAJ-JOCHJYFZSA-N 471.539 0.796 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446631 LVDNFOIMZFPORX-BMZXHMDVSA-N 476.574 0.670 30 20 JCED O=C1Cc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)ccc2N1 1837529207 QBDUZWBGAYZUIL-XGULTSQNSA-N 486.525 0.780 30 20 JCED O=C1NCc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)ccc21 1837529430 UNVIXUHTYZVBFV-HWJGKWOHSA-N 486.525 0.529 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837563547 ORICWAQBYUXZBE-JBMWNJKUSA-N 452.471 0.740 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1ccccn1)CCO2 1837735241 IOUIIZYRGLPDBG-QDFBPKLPSA-N 457.531 0.197 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2 1838469059 ZZFVFGYRAFHXJP-NRFANRHFSA-N 461.544 0.320 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1838840739 FWCSIJCBGAALCO-HXOBKFHXSA-N 463.531 0.742 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)[C@@H]1SC(=N)NC1=O 1838906837 IQMHMIVKSRBGBJ-ICSGCJEQSA-N 471.539 0.431 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)N1CCN(C)CC1 1839103140 GHXFQVWNWRCMAU-YADARESESA-N 455.559 0.264 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)c(C#N)c1 1839132579 KRANUANEPBNYLL-RUZDIDTESA-N 495.536 0.859 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187281 TXYNUTHRCGXNEQ-PGRDOPGGSA-N 461.494 0.143 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c(I)c3)C2)C1 1839809065 CUMABMUHETUITR-SFHVURJKSA-N 470.263 0.700 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3CC[C@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1840039851 BDWHAOIPZCMLTI-KBVWPGPTSA-N 461.559 0.969 30 20 JCED Cc1ncc(Br)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040939 GZHYBKZSXMOUJC-IBGZPJMESA-N 466.288 0.311 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840164934 TVGGXXPCTOZCBX-YJXLLHPSSA-N 473.592 0.131 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1840181211 STAFQMZDFPEBLC-FCHUYYIVSA-N 479.917 0.897 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845013659 VDAWCSNQKLGKHM-MRXNPFEDSA-N 464.613 0.999 30 20 JCED C#CC(=O)N1CCCC12CN(C(=O)c1cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cn1)C2 1845958482 NSCRWCZSRMVLSE-UHFFFAOYSA-N 454.531 0.984 30 20 JCED Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 10453324 OKXPZPZTQQGURJ-UHFFFAOYSA-N 468.543 0.661 30 20 JCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 105948501 BUEGDQDLDNSFOO-HUUCEWRRSA-N 465.576 0.294 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 501762401 NLJJKWRCIOLKAT-UHFFFAOYSA-N 456.480 0.553 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C1CCN(C)CC1 516828028 KTALPPWNHKGAQT-UHFFFAOYSA-N 468.579 0.975 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 522277107 KHXJXSYZBMPMEX-HNNXBMFYSA-N 493.607 0.004 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(=O)N(C)C)c2=O)cc1 604270444 ORHKOMGZEXAEIH-UHFFFAOYSA-N 490.541 0.926 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CC(=O)N(C)C 608778791 XPVBWTCLTHQJOG-UHFFFAOYSA-N 460.531 0.101 30 20 JCED N#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 609338522 RIQLEERTUBETRA-UHFFFAOYSA-N 492.602 0.654 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 726043567 XPXLBHXHXHVXMB-UHFFFAOYSA-N 460.399 0.016 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)N2CCSCC2)ccc1F 730501158 YLDRMLFXVGORET-UHFFFAOYSA-N 451.567 0.398 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3cccc(Cl)c3)c2=O)cn1 839215746 IYVSZUIEODJFTH-UHFFFAOYSA-N 455.927 0.648 30 20 JCED COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 853708972 UTSCZVVRLKUJSV-AWEZNQCLSA-N 465.528 0.849 30 20 JCED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1=O 906486620 OICUEKRYITXOGX-JLTOFOAXSA-N 469.564 0.854 30 20 JCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cc1 906492575 OSUQRGOCAGJHAR-HXUWFJFHSA-N 457.468 0.232 30 20 JCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 915778355 XWESNTJEVXAARA-UHFFFAOYSA-N 472.527 0.449 30 20 JCED C[C@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 918872807 SKXYVUHBXFIOSV-INIZCTEOSA-N 490.582 0.765 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)cc1 919048535 NDGYRLSTHTXCGT-UHFFFAOYSA-N 475.508 0.334 30 20 JCED C=CCn1nnn(CN2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)CC2)c1=S 919940609 HRNPLUDQSPMWAS-UHFFFAOYSA-N 456.550 0.956 30 20 JCED Cn1c(C=NNC(=S)NC2CCN(Cc3ccccc3)CC2)nc2c1c(O)nc(=O)n2C 920362799 KVGLBHHZPBHMMU-UHFFFAOYSA-N 454.560 0.835 30 20 JCED C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1291307454 ULEYJYBJTPYCSQ-LJQANCHMSA-N 466.590 0.748 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 1291920576 SSALEKHDRNETBT-SJKOYZFVSA-N 459.450 0.915 30 20 JCED CCN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1295081340 XOKODBXDQXLOHQ-INIZCTEOSA-N 456.576 0.924 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1315018179 RXOJVJCNMUKWOY-SFHVURJKSA-N 488.570 0.505 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 1466345085 XQMMKFVDHQCNOH-SFHVURJKSA-N 455.558 0.126 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539776340 YMWFEDNCQPLXPZ-OAHLLOKOSA-N 462.020 0.631 30 20 JCED N#Cc1cn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(=O)nc1O 1543187217 TZNQKEPRFQPMPJ-UHFFFAOYSA-N 457.921 0.459 30 20 JCED CC1(C)CCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1692860719 OEQIDNPXNSPIBF-YSGRDPCXSA-N 470.571 0.994 30 20 JCED C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1723790471 WYZVCBCIMLNOCV-OAHLLOKOSA-N 477.616 0.895 30 20 JCED COC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC 1730459321 IMSRDALRNKNSQV-JKSUJKDBSA-N 495.581 0.887 30 20 JCED CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1748383243 YUUJHUXWLHVGRM-GOSISDBHSA-N 453.547 0.832 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CCO1 1750014225 IVCZFTWDJARRAF-FQEVSTJZSA-N 467.530 0.407 30 20 JCED C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O)N1CCOCC1 1751151491 MJKSHAMTPYHUHY-KRWDZBQOSA-N 462.576 0.930 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(C)(C)N1CCOCC1 1761498626 HIJAQXSNLAXWLJ-WMZOPIPTSA-N 480.639 0.176 30 20 JCED CNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)c1 1769183675 ZTPBQYXEHNOSRA-BEFAXECRSA-N 486.602 0.473 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778218891 RAZQJEWYKDQDJL-XCGNWRKASA-N 467.494 0.499 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1)NC(=O)OC(C)(C)C 1778793879 UIMMSXTYVWTLLX-QSAZIKIQSA-N 498.577 0.740 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1778946465 XRNXOISWCRDOOH-YOXWTLATSA-N 458.906 0.685 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(C)(C)C 1779099891 OMEWDVWAWIVUMO-GGNMOAJMSA-N 452.552 0.896 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1779277590 HQQVNIUNXTYFNE-HKARXFIJSA-N 464.563 0.976 30 20 JCED CO[C@H](C)[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)N(C)C(=O)OC(C)(C)C 1780626523 LUINEDXRMUCXRJ-XBFDIVRLSA-N 495.573 0.859 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1780802343 TVARMTDLEJEPCK-YBOAYWMSSA-N 460.535 0.555 30 20 JCED N#Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(O)O)C3)ccc1Br 1781075871 UVKHGACTWXMGSF-DNVCBOLYSA-N 452.305 0.759 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2 1781293784 BUCVEAURZQXRDB-MFEFFIJZSA-N 498.577 0.740 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1783528005 FAZNYAYVFPXUCS-JAYGYPRLSA-N 494.589 0.100 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1783888295 HMNIEJAGXSFGRV-OSAWLIQMSA-N 457.593 0.753 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1785304980 KEOJLYYNZCTEOX-PNLZDCPESA-N 452.552 0.810 30 20 JCED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)n(-c2cccc(=O)n2C)n1 1787154089 VGJLCSSTNUGKGZ-WFXMLNOXSA-N 489.536 0.986 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1cc2n(n1)CCCO2 1788350816 RZHVKQZWAGMOIW-BJLQDIEVSA-N 456.543 0.958 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=N/N5CCCCC5)[C@H]4C3)CC2)CC1 1788604127 QDSWTOWGGUAROF-LFMTTZSXSA-N 460.623 0.218 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]2C1)C(F)(F)F 1788640805 YCQMIAFRHBTSFN-YHUYYLMFSA-N 450.410 0.579 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788706276 UHYQJQUFSCKMNM-OREBXVKISA-N 460.535 0.376 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789346965 ALBYKPBIEVWRIV-VYMYIBDJSA-N 487.557 0.850 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)c1 1790271507 XGYCDBRBASMNIT-IEZWGBDMSA-N 461.482 0.505 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790857332 TZRCQSMSLIMLFC-TXTZMMAHSA-N 464.563 0.572 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(C#N)cc2)n(C)c1=O 1792636574 ULYGEYUASLHZQM-REPLKXPHSA-N 489.536 0.186 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793085063 VZWRWMFIAKVHHW-CWQOZTLDSA-N 469.579 0.425 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1793359336 VDZMYWUIYWQTLF-YGBCKFAYSA-N 467.563 0.851 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1793366244 IVSYDQIJHOXTBS-REGYPHIPSA-N 452.960 0.962 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793428666 YKOSLOKFTZADKO-XLKGFZLASA-N 452.552 0.557 30 20 JCED CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)C3)CCC1=O 1793785401 FWIHMANURNPNLQ-DPIQGUFMSA-N 478.431 0.783 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C(=O)O)ncn2)C3)c(O)n1 1794488850 VARAYQQCQYPYKH-HBCWATKFSA-N 467.482 0.911 30 20 JCED Cn1nc2c(c1C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)CC#N)CN(C(=O)OC(C)(C)C)C2 1795084012 VYKWIEJXVDQPNL-ZSBFGKGUSA-N 458.519 0.788 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1796437021 DSZGSJXHUWYSLV-CTSHNCOSSA-N 481.596 0.502 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1796740794 NTHBFZKGLCTMGF-LWVQOSFQSA-N 451.568 0.982 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[S@](=O)CC 1797611414 SCQSZIAHNBAMQB-UBZXZJBMSA-N 469.604 0.651 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1797784306 UBJOEYFSFFXPFT-CWPLJXCYSA-N 465.506 0.723 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1797786388 ZKDQLJIRTZZDIG-BAYUQKDNSA-N 476.913 0.776 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2)c1ccccc1 1797877158 LARMOPYUGJPARO-BEZXDORVSA-N 457.527 0.838 30 20 JCED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)c1n[nH]c2c1CS(=O)(=O)C2 1798494629 LFMXLNBBXUCQAT-DILUQUMXSA-N 465.532 0.619 30 20 JCED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cn3c(nc2=O)SCC3)cc1 1799072546 RSTAEXAQHBVGAN-HATOLVCRSA-N 479.562 0.595 30 20 JCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799196056 FBCXNYUBPHLQFI-RVDAZCDBSA-N 463.575 0.997 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(N)=O)C2 1799232352 AKAVUIJFXZUNIX-APAFKAMOSA-N 493.605 0.720 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2ccco2)C3)c(C#N)c1 1799237206 BPRKHQGSSPMELZ-FEJSZKPUSA-N 466.494 0.722 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C2 1799302879 REQOMIOTJIXORU-AJYBTWMASA-N 495.573 0.721 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1799322004 XAHIWGVSZUJJFJ-FSDCSDTHSA-N 491.545 0.951 30 20 JCED CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C/N=C/c3ccco3)C4)cc2C1 1800127927 GLEILIYIYNAOML-IUCMUBOISA-N 454.531 0.634 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](CCN(C)C)(Cc1ccccc1)C(=O)O 1800292523 AXRIMNBXMBMPBR-FEVNXLGXSA-N 499.608 0.880 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801051065 BTRCSRNKAYNYCZ-IKJLZNBSSA-N 481.590 0.521 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2)NC(=O)OC(C)(C)C 1801928571 HHOAEJSNWFYINS-YXZMJPADSA-N 478.590 0.962 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)OCC)CC1)C2 1802126924 DACOJHSXQIZOOZ-XMTFNYHQSA-N 477.558 0.836 30 20 JCED O=C(CN1CCOCC1)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1806905275 IZMCNYSJHOPULH-UHQIVQPWSA-N 459.547 0.949 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)C(=O)C(=O)O 1810330815 GHPYAJROCZGZBC-WIYYLYMNSA-N 470.526 0.329 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812392289 NMBIJBUQTCYJGZ-QFBILLFUSA-N 460.487 0.140 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[nH]n1 1814439344 HODYYKJARZHKAG-YZBXUTEPSA-N 482.545 0.731 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)n[nH]1 1817682350 ADMYFUQCLUAIDR-MLGOLLRUSA-N 460.516 0.905 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)NC(=O)OCC)[nH]n1 1820895944 RGSSPNZTDIEUNB-KBXCAEBGSA-N 451.480 0.976 30 20 JCED N#Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CN(CCO)CCO)n[nH]2)cc1 1822023082 YHXPGHQRICVCMQ-FQEVSTJZSA-N 454.531 0.803 30 20 JCED N#CCc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)cc1 1825328541 GLZVMXUXLFWTPE-QGZVFWFLSA-N 457.556 0.722 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)c1 1825328784 JZQHUXDNAJEOOG-QGZVFWFLSA-N 457.556 0.836 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829049583 HADGKYFPXJLCAF-LJFZDNNRSA-N 488.589 0.525 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829331132 ZUYNRRZFRZVZFS-AVRWGWEMSA-N 498.536 0.441 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCN2C(=O)OCc1ccccc1 1829474920 WKNYOPBITQSPCA-CPJSRVTESA-N 483.521 0.953 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829517550 XZVFLOQVRYSUOV-HXUWFJFHSA-N 450.927 0.482 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1829905956 OZEKVXQTEWFNEG-NBGIEHNGSA-N 469.586 0.193 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1830352972 XKLAPDHSGSKLOV-KNPBPUNLSA-N 473.570 0.834 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)c1 1830456620 NTVCLQXOHHJDQA-HSZRJFAPSA-N 451.483 0.757 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1830645974 MMSWGCQSSZAHIQ-QPPBQGQZSA-N 473.574 0.682 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3CNc4ccccc4O3)C2)C1 1831397430 YAPMAPWNGBUYOL-IMWIBFENSA-N 457.527 0.744 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3c[nH]c4ncccc34)C2)C1 1831403337 ZUATZKWKNNPOFN-MHECFPHRSA-N 454.527 0.990 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831460825 JBVRGWIQJZGKNY-QVKFZJNVSA-N 483.974 0.962 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2=NN(C)C(=O)CC2)CCO3)c(C#N)c1 1832380168 JTISTRMWBOINSX-DEOSSOPVSA-N 483.525 0.174 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)cc1 1832877830 JKDPNPXGGUBQMN-RUZDIDTESA-N 479.537 0.971 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CC2)CC1 1833464701 OIBYQEHJMYJDOY-WIYYLYMNSA-N 493.649 0.838 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833651686 STYBOWLXEPECNC-WZONZLPQSA-N 455.515 0.928 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncccn2)CCO3)c(C#N)c1 1834296148 RERYFGOHWCSLJB-QHCPKHFHSA-N 451.483 0.670 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834874307 VTZBLWNIQRHNRG-HXUWFJFHSA-N 487.605 0.766 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)C)CCO2)NC(=O)OC(C)(C)C 1834946246 PCMLYLMIIDHHQW-FDDCHVKYSA-N 468.595 0.864 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835349780 XAYHYLFFFHMWRK-UZUQRXQVSA-N 478.546 0.382 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1836033980 LJBGUEAWTBYILN-RUZVDQEXSA-N 464.494 0.749 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccn(C)n4)CCO3)C2)c(O)n1 1836059297 JMGFMCQXHQUTCJ-XMMPIXPASA-N 469.542 0.952 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3Cc4ccccc4CN3)CCO2)C1 1836485449 WZEYRKPWJVLGTQ-ZHRMCQFGSA-N 458.559 0.958 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837382100 WQGZZHGQPABTPS-WAIKUNEKSA-N 473.530 0.344 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1837431359 JYZXTPIECBBEKZ-HSZRJFAPSA-N 474.634 0.751 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837443577 GLDDOYCCYPGSJA-MQHZAWOVSA-N 460.575 0.613 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)o1 1837453081 UKPQSDRSUHFCLQ-IGPUNGKJSA-N 461.519 0.780 30 20 JCED Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527698 TUTSXYVEKOPEFU-BNYUCHOMSA-N 451.480 0.164 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837527824 XGFMGWWVLSQHSP-RKTCWTLSSA-N 461.519 0.395 30 20 JCED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1)N1CCN(C)CC1 1837869972 DOLDFEHIUKUDIM-FQEVSTJZSA-N 476.666 0.903 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1)c1ccccc1 1839078263 NOYMTCFVYVAWPF-DEJKCJRPSA-N 455.555 0.363 30 20 JCED C[C@@H](CN)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131238 SYHDBYUVWUAKSX-UUOWRZLLSA-N 493.605 0.578 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186887 VDZXGGCNFNPRMZ-HSZRJFAPSA-N 469.473 0.809 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839666626 COXDYWQAFDUFGV-RGZWJVDOSA-N 474.558 0.229 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1)c1ccccc1 1839703361 DYBQOWOFHUWVRV-NLFFAJNJSA-N 485.537 0.183 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)c1 1839718260 KNISJMVMBMYLDK-HSZRJFAPSA-N 481.465 0.398 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2C[C@@]24C(=O)Nc2ccccc24)CCO3)c1 1840017238 DBOYPCYKFWPUFW-XYHYBEPMSA-N 475.505 0.866 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1ccccc1[N+](=O)[O-])CCO2 1840111878 OJTHMGHYHPQLCZ-FQEVSTJZSA-N 463.468 0.231 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1840293839 XXBCAQXWPNFURG-VWLOTQADSA-N 468.554 0.990 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840457832 WMUGAABIYJQBKI-CROXIQAJSA-N 461.519 0.395 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)cc1C#N 1840763129 JYYITNYYNQELIR-DEOSSOPVSA-N 497.508 0.930 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)N(C)C)C3)C2)cc1C#N 1840763274 SHVGCAKBIYJQKZ-QHCPKHFHSA-N 458.515 0.504 30 20 JCED Cn1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn1 1840820958 SHTNREVIWPBSGM-QHCPKHFHSA-N 453.499 0.370 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840844356 QNXDPFCYRPIJDA-XMMPIXPASA-N 490.557 0.622 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1847261383 CMBKVSUKOQHXSM-NSSIVEPJSA-N 488.585 0.929 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C1CCN(C)CC1 514341615 QWYZXMOTVXGBSE-UHFFFAOYSA-N 475.640 0.987 30 20 JCED CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2ccccc2O1 518076777 CBOYMLMZECMJJO-HXUWFJFHSA-N 462.510 0.922 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Br)ccc2OC)c1=O 523090213 LEZBHOFKPHQIDD-UHFFFAOYSA-N 466.357 0.966 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cccc([N+](=O)[O-])c3)c2=O)cn1 524275140 MTWDKWUHJUOLAY-UHFFFAOYSA-N 463.475 0.992 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccccc3F)CC2)cc1 579149766 LBMICVAHEHQRGM-UHFFFAOYSA-N 466.516 0.509 30 20 JCED CN1C(=O)c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2C1=O 599998692 NFHVUUVRQKEGNM-UHFFFAOYSA-N 474.520 0.479 30 20 JCED Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccco3)c2=O)c1 603788307 CGTRTAWFMWNQML-UHFFFAOYSA-N 464.547 0.752 30 20 JCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603890696 JLTGNYPZWJWTCY-OAHLLOKOSA-N 475.527 0.784 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1CCc1cccnc1 609038765 YJWKVZAWPNDNKN-UHFFFAOYSA-N 495.630 0.560 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 727671142 QJQRPCCOXDCXAD-UHFFFAOYSA-N 463.537 0.369 30 20 JCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCS(C)(=O)=O 729670884 AASQQPUAIBYQIR-UHFFFAOYSA-N 496.632 0.476 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1 729674437 HDGJAXYYBTWMQJ-UHFFFAOYSA-N 475.592 0.525 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)NCc2cccc(C#N)c2)c1 746556074 VHLSMBZYWUKMRZ-UHFFFAOYSA-N 458.496 0.398 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC(F)(F)F)cc2)c1=O 797641585 FPAIEKMAIFKMMN-UHFFFAOYSA-N 483.468 0.817 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 827878078 MMBXLKCKOSYELO-IBGZPJMESA-N 491.614 0.143 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1cnn(-c2ccccc2)c1 853664089 NTQAOOJMRQHBSH-UHFFFAOYSA-N 453.480 0.882 30 20 JCED COCCn1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCOC)c2=O)c1C 917355680 LZFFRXHNZXVBRX-UHFFFAOYSA-N 458.584 0.746 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)ccc2OC)c1=O 917771354 VQFIUTBHEZYPRC-UHFFFAOYSA-N 463.943 0.580 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCC[C@@H](NC(C)=O)C1 918930726 XXDQYJUBBVZISL-AEFFLSMTSA-N 478.571 0.954 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1303861468 FIPIFEVIQSPTLK-IEBWSBKVSA-N 494.666 0.300 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC(F)(F)F)C1 1316356935 PGEYPJREQVOLOW-CQSZACIVSA-N 493.512 0.420 30 20 JCED C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1444420655 YRPLALGNQUCYGZ-QZTJIDSGSA-N 456.572 0.947 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4ccc(S(=O)(=O)N(C)C)cc43)CC2)o1 1473263108 NQDYPTYJDRJKER-UHFFFAOYSA-N 458.544 0.816 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCOC2=O)CC1 1541993109 FOWOQTSBBDMART-MRXNPFEDSA-N 481.579 0.583 30 20 JCED CO[C@@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1554722068 YZMWWCSHNCQUGH-DENIHFKCSA-N 490.586 0.925 30 20 JCED COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1619783044 PDQFZQWPGAPPHX-NVXWUHKLSA-N 451.597 0.882 30 20 JCED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1697025845 OVJANRLTQSDFLY-SFHVURJKSA-N 473.559 0.399 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOCC1(C)C 1723781311 YOLNYOYRNVSDRD-SJORKVTESA-N 469.612 0.460 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1728664631 JKJYAKFHWAAHJC-FQEVSTJZSA-N 494.600 0.570 30 20 JCED CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCS(=O)(=O)N1CCSCC1 1750944772 OQCICIXJEDEFRC-UHFFFAOYSA-N 469.637 0.925 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C)N(C)C1CC1 1751230410 QFMKEKGLBQBEFF-MPGHIAIKSA-N 450.613 0.548 30 20 JCED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1768456499 SBYIGHFHMUITHK-UHFFFAOYSA-N 452.519 0.479 30 20 JCED COC1CCC(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1769025123 YCIZADQSCVRPNQ-GMNCBBECSA-N 482.607 0.935 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777821333 CUZDBGFGFWVMFA-LBUQITIBSA-N 455.519 0.709 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778959897 QLXYANDZZVJCSH-SAHWJRBASA-N 479.578 0.441 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779068114 RWRDDWJABGMUJY-WZONZLPQSA-N 465.547 0.358 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1779074130 VWQZGLFMXLUOGR-REWPJTCUSA-N 457.483 0.691 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1779286840 AUCGZZNSHYZOIV-QQMNAOGKSA-N 462.547 0.424 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780698214 KEBIHRHINKFGLN-XMMPIXPASA-N 475.542 0.698 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nnc3cc(C)nn3c1C)CCO2 1781269417 QGZVORPPZFLWOF-JOCHJYFZSA-N 456.503 0.694 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)cc1 1782785359 FXFRRVXCTXAVPM-QHCPKHFHSA-N 465.466 0.701 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#Cc4ccc(Cl)cc4)[C@H]3C2)CC1 1783919908 RCUPIPSHAOWXBL-PMVMPFDFSA-N 487.000 0.835 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1784445310 HSAHMGRTGIGARD-UJNZZBMASA-N 488.570 0.356 30 20 JCED O=C(CNC(=O)c1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1785169393 STKCJIJICDFRCT-JJXJJVKLSA-N 473.530 0.320 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)NC3)CCO2)C1 1785593332 ZYPYQFJJGAITQI-HPCCJCSGSA-N 476.574 0.812 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786364157 SJDKTSZXEYKYHB-IUUWJXCHSA-N 464.563 0.888 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786808167 CIMCUCIZRIQITG-NXOAAHMSSA-N 466.583 0.309 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cncn3)[C@H]2C1 1787089761 QBXLTLZJXLHYKU-FJIDUMEYSA-N 460.535 0.174 30 20 JCED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4nc(N5CCOCC5)ccc34)[C@H]2C1 1787176306 WXANLGWMEMUDDK-BQFCYCMXSA-N 453.503 0.073 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]2C1 1787529694 QWMMUFKHUAEAIN-OKYOBFRVSA-N 478.590 0.655 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)nc5cccnn45)C[C@@H]32)ccc1F 1789907445 VIJPWBPFIAPKDN-MDKPJZGXSA-N 490.495 0.936 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790225506 RZDHNBXNJJXQIB-UJNZZBMASA-N 451.520 0.971 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(N)=O)C[C@@H]32)cc(C(F)(F)F)c1 1790259666 ZEKYSKYANHYRHN-RCBQFDQVSA-N 453.421 0.839 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1791026090 HDWKDVZZHORITH-BRHFBXIFSA-N 475.542 0.701 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21)NC(=O)OC(C)(C)C 1792108820 AHKHBGXBZUQFBZ-VJANTYMQSA-N 492.621 0.666 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)c3ccccc3)[C@H]2C1 1792243194 XZYQHFGDIDZWEU-FKTPPHBFSA-N 468.554 0.643 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1CN(C(=O)OC(C)(C)C)C1)C2 1792491325 LDNMCXDKYYUMFX-MZNTUGIBSA-N 476.574 0.691 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1793335277 LRHDUQMBLLFJDQ-SSTJLMRISA-N 484.601 0.918 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2 1793597690 SQCOENZAIFPBFU-IWSXDTNSSA-N 484.550 0.110 30 20 JCED O=C1CCc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)nc2N1 1796105140 JXYIASYEEDNMHZ-IXLLBFHCSA-N 471.514 0.699 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1796445824 MBMYFDPGWBHYJG-IPHOEFGPSA-N 479.518 0.793 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1797742213 KRZUPLJYGWFKEN-YVNXZYICSA-N 492.540 0.246 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1800989269 IMXPGHIRTSMMBL-RBGFHDKUSA-N 493.648 0.222 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOCCOC)C2 1800994270 PEHUWJUUNKLMEX-JHDGKUDLSA-N 454.564 0.466 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(N)=O)cc1)C2 1802126599 LQUDODSQPBLPDG-IYWMVGAKSA-N 484.553 0.905 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1802408210 VSWXMNHGFYNMTR-LKDIYWBOSA-N 476.574 0.855 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)[C@H]1c1cccnc1 1802475357 FNXGWNJPPNHYKM-XYJLUGGQSA-N 462.572 0.627 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807353201 INSJLDKTRICFCG-MTPMWZLMSA-N 477.529 0.604 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807354271 SEPZCQNLBVTUAN-APWZRJJASA-N 477.529 0.414 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1810389463 ZFHVPPZWESLBKU-JZDMFWLRSA-N 452.471 0.351 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCN(C(C)=O)CC1)CC2 1819714638 OBXMFDKJFIFXTO-YJBOKZPZSA-N 463.604 0.792 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1ccnc1 1828563300 WOKFZRYTJHVFPJ-CLOONOSVSA-N 493.520 0.984 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1828583518 JYFSYHRBVOGLKZ-HOYKHHGWSA-N 485.541 0.145 30 20 JCED CC(C)[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1828583840 BEHAILZHYIIVAR-HTAPYJJXSA-N 465.572 0.704 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ccccn5n4)C3)C2)cc1 1829902557 UAEUGJIKAFTOGT-XMMPIXPASA-N 460.494 0.914 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830184613 PWOWCXSHRKEJDR-VGSWGCGISA-N 481.571 0.961 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830462728 KFGTWZZGRCEKDH-HSZRJFAPSA-N 473.599 0.431 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218096 LXOSFNVHTGXHDH-HSZRJFAPSA-N 465.547 0.398 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(N4CCCC4)ccn3)C2)C1 1831391405 AOTUVZCVFLESKL-CYFREDJKSA-N 456.543 0.790 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4sc(N)nc4c3)C2)C1 1831393718 NUCDVGFPLZLOGA-OYHNWAKOSA-N 458.540 0.987 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1831425376 CSDLJEVNPCFJOP-NLSFWIRASA-N 459.499 0.769 30 20 JCED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831516618 FTPKVQZVIQAJJU-OZWPHOJSSA-N 459.543 0.973 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1831999403 XLAAKPXTRXLYQD-AOMKIAJQSA-N 468.551 0.048 30 20 JCED Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)nc2s1 1832109821 UEPBTMFYYZBZFB-CSOJOJLQSA-N 486.554 0.810 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832190652 HHKPPSMQXWHQJP-RGOAUWMISA-N 455.405 0.872 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832535000 PGDIWCDIXYRJFW-QRQCRPRQSA-N 461.540 0.447 30 20 JCED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)no1 1832934147 XHNSCKDCEVQYNL-JOCHJYFZSA-N 455.471 0.328 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)CC1 1833075174 SSTURGOMIVHAQK-PLNGDYQASA-N 470.574 0.709 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1833476050 SQMZDYJXYGIMFR-HNNXBMFYSA-N 479.603 0.614 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1833614919 OVFYLQYSQKTGHJ-PCLIKHOPSA-N 469.542 0.585 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833652426 MTVRKCLWCGGEJE-SJUCLPJRSA-N 481.557 0.809 30 20 JCED CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1835057716 KYRLBCZUJFUKBI-FQEVSTJZSA-N 470.574 0.956 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C(F)(F)F)cc1)CCO2 1835076586 RVMRONYJWUTXDF-FQEVSTJZSA-N 454.401 0.792 30 20 JCED O=C(O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)ncn1 1835097081 RGCAVTVZIDLTSM-QHCPKHFHSA-N 450.451 0.297 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)CC2)CC1 1835101788 IRXZXDZSULDMLR-RUZDIDTESA-N 466.582 0.275 30 20 JCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)[C@H]1SC(=N)NC1=O 1835112819 VYPNHSNVOMROQI-JJGYUGRQSA-N 491.662 0.832 30 20 JCED Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c(-n2nccn2)c1 1835345425 MIUFGXDTKSUXTG-HSZRJFAPSA-N 450.499 0.950 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)CC1 1835674888 GVQXCPXCVMVULH-KHCICDEESA-N 478.590 0.704 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1835682944 ZCMBMUBOHATSHT-HSZRJFAPSA-N 454.531 0.686 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CC)NC)CCO2)C1 1835919454 UDRPNMAXWPJCRB-HJOCRKTISA-N 480.606 0.910 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)c1 1836124067 ASSTYOISVWWTTD-NRFANRHFSA-N 470.574 0.345 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836811598 WYNJLVMUSYORHW-DEOSSOPVSA-N 467.526 0.727 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837201931 NJZFIBAFOWYHND-NZQKXSOJSA-N 474.514 0.012 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1837393158 LXJPAZDEXRYZHM-KSFYIVLOSA-N 450.536 0.765 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1837403332 KGJOESFTWCVRFT-UZUQRXQVSA-N 490.582 0.769 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1838490986 QFJFYOGNLNLJDY-HSZRJFAPSA-N 451.483 0.923 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c1 1838581781 PCUWYAHNIMNZLE-OAQYLSRUSA-N 470.442 0.582 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839082772 IJBZQEHAZMHHDQ-MCEYFSPLSA-N 465.550 0.896 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4nnc(C)o4)C3)C2)c(C#N)c1 1839132207 ZKRAWAWVZPXVOT-HSZRJFAPSA-N 469.498 0.500 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1839175020 JTTCROCMAQUHRG-JOCHJYFZSA-N 461.471 0.390 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1839175046 LYJWVGKKSBQQHF-HSZRJFAPSA-N 460.531 0.727 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210096 DGNKHTFICCECCC-BXTJHSDWSA-N 461.581 0.037 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(NC(=O)C3CC3)cc1)CCO2 1839249625 ZDOKGNPAACOHEC-IMHHWWNFSA-N 496.564 0.964 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c1 1839452657 PDVQEWGHTNXWID-UUMVVRSSSA-N 452.511 0.772 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)cc1 1839779506 ATZUGPCECGHIEE-KNQAVFIVSA-N 461.540 0.134 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnc4cc(Br)ccc4c3=O)C2)C1 1839806590 UFTLKKLUPIKSPP-NRFANRHFSA-N 489.326 0.249 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1839887502 GJSPQJSULQARFE-SFHVURJKSA-N 474.486 0.120 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1839898394 XIBMHWAEXKETSP-QFIPXVFZSA-N 467.482 0.458 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1844251588 JSZSEKPROXJARD-INIZCTEOSA-N 487.509 0.825 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1 16558759 UQHSWNXPQSOSBY-UHFFFAOYSA-N 479.536 0.658 30 20 JCED C#CCNC(=O)COC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 19351929 UZLGWPAQUXOOFW-UHFFFAOYSA-N 494.526 0.125 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2CCCSC)CC1 497551603 LKGZNIYUHJJDNP-UHFFFAOYSA-N 463.654 0.787 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(Cc2cccs2)c1=O 502052576 TZGDNXVVJKRLJE-OAHLLOKOSA-N 455.565 0.551 30 20 JCED CCOC(=O)c1ccc(C#N)c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 514399839 JZTDOKYICZSHEE-OAHLLOKOSA-N 452.558 0.553 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(N)=O 524281149 IXYMILTUYBANFA-UHFFFAOYSA-N 462.478 0.558 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)ccc1OC(F)F 589159082 XDMMNFAAJCPRME-UHFFFAOYSA-N 451.451 0.733 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CC(=O)N(C)C)c2=O)cc1 604270030 MZUYNWAVUAIKCK-UHFFFAOYSA-N 456.568 0.216 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1CC(C)C 604502256 AROVYJIAFXKDAW-UHFFFAOYSA-N 457.552 0.984 30 20 JCED N#Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc1 608980454 BNBAUCCKPPMFHU-UHFFFAOYSA-N 491.595 0.921 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CCS(C)(=O)=O 729672856 LXXFOUNLKSDUMX-UHFFFAOYSA-N 495.586 0.217 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 751387923 JBVBNKBCGGRKQZ-GOSISDBHSA-N 484.582 0.983 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCOC 844254190 IWVQDSGXAUTMNB-UHFFFAOYSA-N 470.530 0.695 30 20 JCED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(C(=O)NC2CC2)c1 918817648 HXVAJONCXGVQMW-UHFFFAOYSA-N 484.534 0.867 30 20 JCED Cn1c(C=NNc2ccc(S(=O)(=O)Nc3ccccn3)cn2)nc2c1c(O)nc(=O)n2C 920372497 NTSHMEBDIVPAQN-UHFFFAOYSA-N 455.460 0.409 30 20 JCED CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)c2=O)CC1 920397149 IBJGROLZGFSZCR-UHFFFAOYSA-N 453.480 0.883 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCO[C@H](C#N)C3)CC2)cc1 1136626185 PGJWXPCHTUQJAN-QGZVFWFLSA-N 450.517 0.059 30 20 JCED CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1299306506 RTSOWDUSOUYNEY-OAQYLSRUSA-N 470.559 0.871 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 1301775019 LLXADDZSTRBRNH-XMMPIXPASA-N 480.573 0.595 30 20 JCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1516596998 LOOOYVWPOIEWOL-GOSISDBHSA-N 459.576 0.881 30 20 JCED N#C[C@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NCC(F)(F)F)CCO1 1521129723 NQVJQPZFXHNBND-HNNXBMFYSA-N 479.467 0.859 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1539600817 VSZYPTPJYNEARR-STQMWFEESA-N 491.368 0.160 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCc2sccc2C1 1541946168 QRSNSMPXNKRDPX-GDBMZVCRSA-N 465.605 0.737 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1547764439 KQYVWQXUYIMCIG-HXOBKFHXSA-N 453.547 0.615 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1547765283 TXKMIFBRSOBLGH-SFHVURJKSA-N 471.587 0.510 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(CO)c2)C1 1555813937 VNBCUEBYYMWVBN-PXNSSMCTSA-N 464.523 0.594 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1610304777 JENHMNUCAAGLFM-GOSISDBHSA-N 474.591 0.703 30 20 JCED CCNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1615917069 LXMOLCMIEUCDKA-KRWDZBQOSA-N 494.604 0.940 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCC2(C1)OCCO2 1640987905 PZWOPCKRPBLXLR-KRWDZBQOSA-N 450.561 0.705 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)C1 1671495931 ZPEPAKVXGBZQQE-GBESFXJTSA-N 450.584 0.841 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705755768 YCEHEHKQGLPYOK-CABCVRRESA-N 473.987 0.404 30 20 JCED Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc(N2CCCC2)n1 1707293799 KNZCWMSJLPWRJA-SJLPKXTDSA-N 474.591 0.969 30 20 JCED CCNC(=O)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1746498656 LODHZONFVQBWSE-ROUUACIJSA-N 458.544 0.707 30 20 JCED COCCN1C[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1769886339 VVCLHGXXOYPGES-JKSUJKDBSA-N 473.559 0.493 30 20 JCED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)CCO1 1771537434 OCSKAFWLOKCOTN-RYUDHWBXSA-N 451.413 0.879 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnn2CCOC)C1 1778232014 QLGFRCABMQDCHF-OCOIBCLLSA-N 459.547 0.515 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)CC1 1778357598 ZDEPYSQARSWVEV-XMMPIXPASA-N 453.543 0.360 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780249470 AHXHTSFRWAGXIA-QRQCRPRQSA-N 459.503 0.130 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1781089076 XLLGNFDITVYACA-CJFMBICVSA-N 453.587 0.957 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1781602247 SPUVJLGVHAJGLL-RSNROMBLSA-N 492.642 0.893 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CN5CCSCC5)CCO4)C3)c2c1 1782195020 UGILRDAPQLRKLQ-JOCHJYFZSA-N 454.556 0.927 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1782785286 YSGOORGCRNMWSD-QHCPKHFHSA-N 457.483 0.010 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1ccccc1C(N)=O)NC(=O)OC(C)(C)C)CCO2 1783048818 KMGCOSUBATXJJR-KBMIEXCESA-N 484.553 0.684 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CCO2 1783055680 VKSSASDAKFYHBI-JOCHJYFZSA-N 463.531 0.690 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784007790 RAKOQOWKGXJUEC-VSDWSMLSSA-N 465.547 0.227 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785379551 KTTZQARONXTZLQ-XXBNENTESA-N 474.514 0.610 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1785571623 FWLHDZWRTHBHPV-MBSDFSHPSA-N 480.631 0.782 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncn3C)[C@H]2C1 1786129391 SEADDLIEBIJBBR-BMFAXAFESA-N 459.547 0.930 30 20 JCED Cn1ncc(I)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786702684 GMJLPTYUJXSOSZ-OBJOEFQTSA-N 471.299 0.922 30 20 JCED Cc1nc2ncccn2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786858487 VZMBXUVGTSOQJY-BZSNNMDCSA-N 453.547 0.913 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(Br)cnn3C)[C@H]2C1 1787777745 WTWLPJHOGQRRIN-KIDWBVPLSA-N 480.363 0.634 30 20 JCED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)[C@H]2C1 1789706074 HAKAXVWZBHOJOG-WFXMLNOXSA-N 466.538 0.975 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790860159 PDYFJPCCYMGXLK-PPGORRQASA-N 498.580 0.973 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791073224 SXMWVWWTQWIYPX-BRHFBXIFSA-N 493.557 0.062 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21)C(C)(C)S 1791192452 MQFXBLSSNKEBSZ-NBOOPKSLSA-N 496.634 0.860 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1793345859 SWSTWYARAQBZCU-QGLBADPUSA-N 465.547 0.298 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793366642 QOOJDLQAUASGRP-JCECYMMASA-N 487.619 0.726 30 20 JCED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794506460 FYLMMGSTYWNHFQ-AYMMHLMVSA-N 455.559 0.823 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795360973 ZHWJMHZOSZOSBN-ZMMAXQRCSA-N 485.603 0.317 30 20 JCED COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(OC)cc2C#N)C3)n1 1796596771 WKPHQEAQEKOIIN-BBIADKPPSA-N 467.526 0.856 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC)c1ccccc1 1797586341 PXEVMZVJFQAHRD-BEZXDORVSA-N 457.527 0.838 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1797744144 QYMCHPVUIRYLLH-BTVXVHMVSA-N 465.554 0.958 30 20 JCED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCCC#C[Si](C)(C)C)C3)c(=O)nc1O 1801970607 SSSWSBKPLFNPDB-RMFSNUHRSA-N 474.634 0.898 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1803542234 CLGNAAGHTBVTEV-PTSWNOGYSA-N 471.539 0.591 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807147664 NYOWYRIYYKTMFB-QHAWAJNXSA-N 487.557 0.864 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cccc(N3CCOCC3)n2)[C@H]1c1cccnc1 1808695850 LCRANOUKYVFSDE-WZONZLPQSA-N 463.494 0.721 30 20 JCED C#CC(=O)NC[C@@H]1CCN(C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1812531031 VJKVTUHNGQDIPY-MGPUTAFESA-N 465.535 0.575 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817270785 OIHVQLLUSDDABM-UONOGXRCSA-N 454.574 0.519 30 20 JCED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC3)c1 1823664729 PLDLQDQTZPEAMX-NSHDSACASA-N 456.459 0.931 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1824266534 SDECBPHQRZYJJJ-MSOLQXFVSA-N 465.547 0.970 30 20 JCED Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)n(-c2cccc(=O)n2C)n1 1825665422 LSAKFWRODNWMLQ-ZDUSSCGKSA-N 480.506 0.650 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670472 IFUYCEXEGHFJLS-YPMHNXCESA-N 466.516 0.419 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CN)CC2 1828284695 OIVDHPZRWNCCCG-OBJOEFQTSA-N 450.565 0.258 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC#N)CC2 1828308314 QLHHBLIPLNOEMR-PWSUYJOCSA-N 450.521 0.737 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cnnn3C)C2)C1 1828579986 LJFYSUNXFWASQH-KBMIEXCESA-N 494.552 0.919 30 20 JCED O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828996891 WOGCDVDXDONKCA-XNQWGTPPSA-N 466.502 0.758 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1829352421 UVCXISHSRRUFOY-HOYKHHGWSA-N 483.525 0.613 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632188 SQPUFPSBNFZVIW-UUOWRZLLSA-N 471.558 0.655 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830056529 DKUKDLRTOYTDCZ-LLJLJFOGSA-N 494.589 0.610 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063137 JUYNKDSAUOVWFC-GBXCKJPGSA-N 474.533 0.879 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C(=O)OC(C)(C)C)C3CC3)CCO2)C1 1830066417 WZASTIRQAODAAG-UUOWRZLLSA-N 479.574 0.881 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830663458 CLXKYVFPFRCNSF-DEOSSOPVSA-N 470.526 0.843 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(C)(C)C 1831088211 HCHPXSGPPAAEOC-XMKLJEJWSA-N 482.578 0.523 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)C2)C1 1831403917 BHJXHMIXKGRDID-LYXWCMDISA-N 497.564 0.829 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831997939 IQCISMYQLRBKHV-AOMKIAJQSA-N 478.550 0.355 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1832009723 SBOFMXPOFCIJMP-DNELUHANSA-N 478.590 0.894 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)c1 1832877904 MVZMSLNWKYYRLK-RUZDIDTESA-N 495.536 0.785 30 20 JCED COc1cc(N2CCC(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)CC2)ncn1 1833369924 NMINFOGCCZWROM-UHFFFAOYSA-N 498.584 0.361 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833563944 IAMDVYXDQGBGFH-VGSWGCGISA-N 481.571 0.287 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(C)=O)C3)C2)c(O)n1 1833699609 FLDXJJCZXOMZTB-HSZRJFAPSA-N 460.531 0.502 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccn2C)CCO3)c(C#N)c1 1834398865 CODRBFBBOCKBQK-QHCPKHFHSA-N 453.499 0.613 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCC(N3CCC(NC(=O)C4(C#N)CC4)CC3)CC2)c1 1834599931 DBCBWUCMXWLQCS-UHFFFAOYSA-N 459.572 0.974 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1834761302 WPVNBNMEOAIRHS-HSZRJFAPSA-N 488.545 0.617 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1834937144 UWLBVJQOWTYVMT-VGOFRKELSA-N 454.568 0.474 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(C)cc1)CCO2 1835157116 GOGSKTXJTGZQSE-XXXZYALBSA-N 457.527 0.689 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835393043 OODADFLDOZRKDE-QHCPKHFHSA-N 461.946 0.480 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1835676835 CIGGBQXJHCPGHC-QHCPKHFHSA-N 454.531 0.686 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1835680738 KSFBDWDRKPXHIV-HSZRJFAPSA-N 457.531 0.137 30 20 JCED Nc1n[nH]c(CCC(=O)N2CCC(N3CCC(NC(=O)C/N=C/c4ccco4)CC3)CC2)n1 1835780210 SUOCREFRARFREV-ZVHZXABRSA-N 456.551 0.603 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccco1 1836128629 VUERZNWYROOMNT-JBMWNJKUSA-N 458.471 0.178 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)c(C(F)(F)F)n1 1836322056 XZKZEMWLLGHXGC-IBGZPJMESA-N 480.403 0.785 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)c(C(F)(F)F)n1 1836322091 ZRBOLXSLIZYZDP-HXUWFJFHSA-N 492.414 0.851 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1836473889 OEIBMZZDXMFESN-YWZLYKJASA-N 477.505 0.540 30 20 JCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1836862195 PLVZLWJBPPKNAL-UHFFFAOYSA-N 461.496 0.693 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1837405057 GGQPNHHRRSXBFV-UZUQRXQVSA-N 469.579 0.931 30 20 JCED C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447391 MPMDEUVHYBWQIK-CBWPXHNPSA-N 459.547 0.777 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1837486633 LEJJAPOVLABKOP-RUZDIDTESA-N 472.538 0.926 30 20 JCED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c(O)n1 1837531675 SUHGGVOVYSIMHQ-BPRFCRFOSA-N 462.503 0.695 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1)c1ccccc1 1837611823 MMJFBEUITMVGJW-NBGIEHNGSA-N 482.537 0.192 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1)c1ccccc1 1837614738 WDGLVHRFBWNYLY-BPYKYCOYSA-N 487.553 0.705 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2)c1cccs1 1837946628 LTNMPFKWIMVOMX-SIAOZKNOSA-N 486.506 0.745 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1838399251 IMMCJMCXUPZBHY-UHFFFAOYSA-N 483.569 0.886 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(N5CCOCC5)cn4)C3)C2)c1 1838732252 KACHWFNGWYULDH-DEOSSOPVSA-N 480.525 0.502 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1839175758 CUCSMLDCZZOOCA-HSZRJFAPSA-N 464.490 0.897 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1839176112 WKUGGESWSXHXMT-RUZDIDTESA-N 487.553 0.968 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)[S@@](=O)c1ccccc1 1839672756 UATZTDPAVOZMTO-LULJZHJSSA-N 490.626 0.921 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839717310 FRKSCPPKXJDYSJ-DEOSSOPVSA-N 480.477 0.265 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n(-c2ccccc2)n1 1840041897 NYMQUZMWUYJUDJ-HSZRJFAPSA-N 452.467 0.339 30 20 JCED COc1ccc(-c2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)no2)cc1 1840041972 SGELZNBHLIIAQC-QHCPKHFHSA-N 469.450 0.508 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1840088316 YEVHPCRMJXLKIF-YVHKJVDXSA-N 455.552 0.947 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1)c1ccc(O)cc1 1840220866 HEZNOLZBVSNAAN-CVDCTZTESA-N 468.514 0.032 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1840763374 YRAYBFLCIXWOGL-DVECYGJZSA-N 487.557 0.862 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CN(C)C4)C3)C2)cc1C#N 1840764024 FMWAPWOIVOSWIZ-DEOSSOPVSA-N 456.543 0.977 30 20 JCED CN(C)C(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1840789218 WWVSCCRXZSJBSC-HLHNIQGOSA-N 485.585 0.930 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)C(C)(C)O 1840815938 KMSUGTIFZKUIJU-OSPHWJPCSA-N 494.589 0.801 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1840906952 MVKFAROIUOUJNT-CYFREDJKSA-N 489.573 0.715 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)C2 1841055119 WKTLLILMMLWQKM-FPLPWBNLSA-N 499.572 0.704 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC2(CCCN2C(=O)C(O)O)C1)Cc1ccc(C#N)cc1 1841234597 VGMGRFJRDSNDDJ-GOSISDBHSA-N 472.542 0.898 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC)NC)C1 1843006989 UVMFCUOLKKUCLC-IRXDYDNUSA-N 481.594 0.993 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1844333323 MVJAPYQQMLRDRL-AWEZNQCLSA-N 458.482 0.860 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)[C@@H](O)C1 1845105333 JLLSPAXMXPUVCQ-IRXDYDNUSA-N 463.579 0.699 30 20 JCED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)cc1 1845873483 WOEUWESFTZCKBL-VQTJNVASSA-N 495.605 0.874 30 20 JCED Cc1cc(CN2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)on1 22254394 GFCJAWSYQSHHHK-UHFFFAOYSA-N 472.571 0.505 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(-c2ccccc2F)c1=O 502054672 DCHKRXJLMPUGRC-OAHLLOKOSA-N 453.499 0.570 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2F)c1=O 603796355 ORPLSBLKTFNOOT-UHFFFAOYSA-N 476.549 0.795 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)cc1 609338195 UMUBLSHVYCHEGT-UHFFFAOYSA-N 463.560 0.867 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cccc4c3OCCO4)c2=O)c1 726582255 AJCJRHSHBZZDSK-UHFFFAOYSA-N 487.537 0.917 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 727010804 MSDBCSQSSFOUEP-UHFFFAOYSA-N 486.506 0.491 30 20 JCED Cn1nc(C(=O)N2CCN(CCOC(=O)CSCc3ccc(C#N)cc3)CC2)ccc1=O 727773568 SSZBSCSGFIHQDG-UHFFFAOYSA-N 455.540 0.886 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)CC1 728534946 STMBLGOINJOIHE-UHFFFAOYSA-N 475.615 0.434 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([C@@H]4C[C@H]4C)o3)c(=O)n2CCOC)CC1 748043556 YCDDKMWSAVEARB-SJLPKXTDSA-N 470.595 0.940 30 20 JCED Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc4c(c3)OCCO4)c2=O)s1 917787164 CNUJLWKOIKQAGQ-UHFFFAOYSA-N 496.570 0.797 30 20 JCED CC(C)CS(=O)(=O)N1CCC(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1152664444 RSEULCLPDXYZHT-UHFFFAOYSA-N 456.590 0.682 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1298102184 SQJRWEGSEBXJRP-SFHVURJKSA-N 456.532 0.751 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1314922963 IUXRPXNVTRHYGC-NRFANRHFSA-N 459.576 0.355 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)NC2CCCCC2)C1 1505141123 MOMPWBABHFRHSL-LAUBAEHRSA-N 497.597 0.892 30 20 JCED CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1620155756 TWICMGFJIUDWDI-GHTZIAJQSA-N 461.544 0.894 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)CCC(=O)N3CCN(c4ccccn4)CC3)CC2)c1C#N 1633055817 LAEQQKIUDPNSKS-UHFFFAOYSA-N 450.547 0.773 30 20 JCED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 1663301438 KRUJMIAQROWKRT-SFHVURJKSA-N 456.590 0.950 30 20 JCED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1698304148 KRPSLDICZZWAIU-UHFFFAOYSA-N 471.587 0.652 30 20 JCED CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722911162 KOJUAIHQYOHXRI-NRFANRHFSA-N 459.576 0.718 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729746047 IZSGCOMTPDPRLO-KRWDZBQOSA-N 463.539 0.722 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749087594 XDRFDEXXDSWFSM-HUUCEWRRSA-N 477.429 0.955 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC1CC1 1751096379 QITBUNKWNFXCNP-GOEBONIOSA-N 474.609 0.174 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)[C@@H](C)C1 1760619245 VHESEFNMXXWCJH-GAJHUEQPSA-N 453.547 0.852 30 20 JCED CCN1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1767026250 AYVURPDGBOBHHV-RYRKJORJSA-N 450.613 0.407 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 1767713147 PFJSQKYXGYBRCT-SFTDATJTSA-N 494.600 0.711 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1779405829 WMXYUGZNDYBXPD-NNMXDRDESA-N 460.487 0.509 30 20 JCED O=C(/C=C/C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1)c1cccs1 1779413388 NXPFEAZEVMQRKV-ALFFWYLBSA-N 477.583 0.652 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1780159065 VCADBPHLYIQKRO-RBWLTTHTSA-N 472.542 0.751 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781165728 VOTQOUZSEVSKMN-MHECFPHRSA-N 490.605 0.353 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cc2cn4c(nc2=O)SCC4)CCO3)ccc1F 1781299765 YNXNCSHBWNYROE-XMMPIXPASA-N 497.552 0.975 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1782147079 PRIPXJFLCHFIFO-BTYIYWSLSA-N 452.504 0.711 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)[C@H]1SC(=N)NC1=O 1782195439 ARVCCPGQLQPABX-DGIMUSOZSA-N 481.538 0.681 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1782206242 ILNLPETXZILLKH-SXSPYAJSSA-N 464.559 0.815 30 20 JCED Cc1cc(Br)c(N)cc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561461 SMGVJJLODGCYSY-IBGZPJMESA-N 450.289 0.871 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565381 LFYPHAFSQKOPKL-SBUREZEXSA-N 457.483 0.467 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1783682492 PAUBOLMKJWEKEH-DEOSSOPVSA-N 475.542 0.698 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784500260 LHUGNSNVAJSCIV-FPSMNIFISA-N 455.552 0.443 30 20 JCED CC(=O)N(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1784938595 XMYNFBLDMOIXEF-QRFRQXIXSA-N 452.515 0.896 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)CCO3)C2)CCC1 1785364958 NEZJIASYYGFWAL-QHCPKHFHSA-N 461.482 0.708 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1)NC(=O)OC(C)(C)C 1786844759 QXXXMYYJHSZQTC-VJANTYMQSA-N 492.621 0.666 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787016813 LNADHMRDFDHUDT-MUGJNUQGSA-N 486.569 0.745 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)NCC)[C@H]2C1 1788569405 YGXZXRLZOYXEPG-FKSLSLAPSA-N 493.605 0.590 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)CC1 1788600915 JRNDPVPTOLSVSG-KBIZCEMZSA-N 483.635 0.109 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2C1 1789270249 IWCGMCVFMKXHGV-WNHJNPCNSA-N 462.934 0.956 30 20 JCED CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(F)c(C#N)c4)[C@H]3C2)CCC1=O 1789904770 WLKFKCXWYLFQCP-KNBMTAEXSA-N 455.490 0.828 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]31)C2 1790686288 PYKUUMATBLQZND-DWRORGKVSA-N 457.531 0.906 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)O2)C1 1791072913 HVQWHEXOAWWLLO-FJIDUMEYSA-N 491.541 0.223 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791076960 SNSKLSAOXXOYBI-ADHGMGHFSA-N 481.521 0.649 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1 1791077664 QEYZFTKPSTZDJO-WDSOQIARSA-N 462.524 0.090 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1792147517 UKMDAGWDCDJJHA-GSWSRBKMSA-N 452.511 0.752 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)NCC(C)C)C[C@@H]21 1792258209 YERYLKCUKGRTGY-VJANTYMQSA-N 478.590 0.655 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1792258475 GMHAUMICESYZDH-OKYOBFRVSA-N 474.562 0.565 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1793597103 BZQWSLLFQWRSEG-YYIAUSFCSA-N 485.545 0.797 30 20 JCED O=C(CNC(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1794116799 GVLLZTQLMRMIEU-UHXXWTPBSA-N 464.544 0.597 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795086184 VFYOKTKYPJLUBR-XEMDLRDOSA-N 468.551 0.438 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795470978 VCVLRNPSONVSFM-JTJHWIPRSA-N 478.590 0.215 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598144 BPGCVGIYCXRZRY-ZSXDVEMLSA-N 495.621 0.786 30 20 JCED Cn1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c1C(F)(F)F 1795598397 UZWFMQIUULMIGX-AGGWBTHJSA-N 456.469 0.924 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1797711503 PVFRNVCHFZJSSG-MTHXSQLBSA-N 481.590 0.785 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4c(=O)[nH]c5ccccc5n4n2)C3)c1 1798692709 YSRTVUWCIZNRNE-ZSBFGKGUSA-N 472.465 0.288 30 20 JCED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1799092177 ZEPDZVGFFNWHJZ-QDMKHBRRSA-N 454.512 0.830 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CS(C)(=O)=O)C3)c(C#N)c1 1799238035 VVBZHHQMFLCFFR-WMIGDMCZSA-N 463.556 0.380 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2 1799304990 LWVWFWNOAANBPA-ZMMAXQRCSA-N 483.562 0.625 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1799390554 ZHGRYTPKNQHBLG-IBTNMTNLSA-N 461.519 0.383 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C 1799395925 KCERCAYSTOGQOP-SFFUCWETSA-N 498.577 0.833 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NC(=O)c2ccccn2)c(C#N)c1 1800203099 PYKUALAEEYQYKX-QSXDINTFSA-N 491.548 0.912 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C3)C2 1800326930 YJKPXOSQQCUGJW-VXIBKDFQSA-N 469.542 0.906 30 20 JCED C[C@@H]1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CN(C(=O)OCc2ccccc2)C1 1800778444 XZCDRTGEIDIDOZ-WJEDCCAQSA-N 497.548 0.959 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1800806940 UGPDXRQWTWEINR-YCOHNSLCSA-N 467.563 0.537 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801009002 LWVUKISQXCLRCW-QTSPYONBSA-N 481.546 0.108 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1802479058 XTUBITUCTBJAQG-STBMXMOCSA-N 465.510 0.261 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)Cc2ccc(F)c(C#N)c2)[C@H]1c1cccnc1)C(=O)C(=O)O 1808559194 BLQATZFDTMOQFT-VGOFRKELSA-N 481.484 0.884 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1824009491 XTPNUAHAIQCOIQ-LLBVYWAGSA-N 469.538 0.874 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975137 PEGJRUIBTLUWHB-DABWLCNRSA-N 481.663 0.808 30 20 JCED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1825104976 HBLQYKMTBSUCFJ-KRWDZBQOSA-N 456.547 0.630 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCN2C(=O)OCc1ccccc1 1828634578 PCNMEUCUBMLQQW-VWLOTQADSA-N 493.520 0.882 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccnn1)CCN2C(=O)OCc1ccccc1 1829146897 KLTQUODJIZDXPE-DEOSSOPVSA-N 477.477 0.630 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1829266471 WAWVVRYLUDEVQX-YADARESESA-N 452.511 0.693 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cccc(O)n3)C2)C1 1829332158 ACXKTHAXRSUUPR-VWLOTQADSA-N 492.488 0.941 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cccc(C)n3)C2)C1 1829762249 AWAAZPOFTAUMIW-QJTOUBETSA-N 454.527 0.718 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1829771591 WPXHBBSFUIGBPI-VRWDYKOXSA-N 481.509 0.264 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)cn2[nH]cnc(=O)c12 1829903805 DDLOJEASRWUKJE-RUZDIDTESA-N 490.520 0.515 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)nn1 1829904283 NIMAQXOGKAHKOW-QHCPKHFHSA-N 451.483 0.670 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056593 GZHWLPKTKXVBFJ-OPAMFIHVSA-N 468.551 0.532 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(C)(C)C 1831088432 HSSFDFWXZIUMTD-BWKNWUBXSA-N 477.602 0.692 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3cccc(Br)c3)C2)C1 1831397353 RDTKOQBKGPFDHK-WVBUVRCRSA-N 495.370 0.977 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1831418194 AYCVGZJPIQWAKB-IECBHUPTSA-N 463.575 0.825 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1831418771 GQHSHBTXLJWASN-AFMDSPMNSA-N 499.564 0.649 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)CC1 1831664625 FGEOBLAZLDAMAI-MAUKXSAKSA-N 456.499 0.700 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832047212 QZPWRYGEDLWSFT-KOSHJBKYSA-N 493.605 0.734 30 20 JCED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CCC1=O 1832370278 IJRKHMWHSIVHHS-QHCPKHFHSA-N 472.929 0.756 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1C)CCO2 1832462964 HKWXHSXWKNUVLI-OPJGWUQDSA-N 455.555 0.538 30 20 JCED COc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1833003284 RSUTUBMZOJZFAU-RGXRWQALSA-N 473.574 0.951 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(C(=O)O)ncn5)CCO4)C3)c2c1 1833497222 FXWFJTHPMQKMEE-QHCPKHFHSA-N 491.464 0.307 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565340 GQNBOJZSDFKRIU-XXBNENTESA-N 495.598 0.269 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833572519 MDUDJEPQNPQCKC-QRWLVFNGSA-N 453.471 0.653 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833615406 SXGZCGKHUFTLAQ-SQJMNOBHSA-N 488.585 0.561 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834450517 MTACRHWLWUCRID-HXOBKFHXSA-N 475.546 0.407 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1835359889 NJBHLIZCUHLGPD-NRFANRHFSA-N 456.459 0.052 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835504099 IQXOKPMKEAAQDI-QVKFZJNVSA-N 485.607 0.539 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)C1 1835675254 KXFUNNXRELXZAJ-OFVILXPXSA-N 483.569 0.918 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835679905 BSOWXDJPZAECIC-QHCPKHFHSA-N 481.594 0.639 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@H](NC)C(=O)O)CCO3)C2)c(O)n1 1835755462 ZKJPJITUURBYPB-FDDCHVKYSA-N 476.530 0.039 30 20 JCED CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767729 NWWSFXMHBTUTND-DOAWATSRSA-N 458.581 0.132 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)cc1 1836259861 NDZKLHAAUHAZMJ-HSZRJFAPSA-N 499.549 0.288 30 20 JCED Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320544 GBRMSPDQDZKHMU-IBGZPJMESA-N 479.419 0.484 30 20 JCED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836321813 KVAFTKUQTSXVMD-OAQYLSRUSA-N 497.474 0.814 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1836474219 YAVGFKRAMKSNQO-PNLZDCPESA-N 455.552 0.541 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1)c1cccs1 1836520504 JTGVZMNJOHNBRP-YADGQWAMSA-N 477.568 0.854 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1836776030 LMWLZTBKILSOQF-HSZRJFAPSA-N 473.530 0.337 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837202669 VBZFJUWBXNPQNR-KNQAVFIVSA-N 479.917 0.212 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1837394500 CEAKCGAFPGUYLT-HTAPYJJXSA-N 451.495 0.872 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1837396561 JGYGCNLNEYFGMS-AVRDEDQJSA-N 462.503 0.941 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837397953 YFVNIXRKIBDGFH-BKSPAHHJSA-N 457.571 0.730 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1837446776 OUQRTUKOTREHHH-XMHVBLFMSA-N 475.502 0.842 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1837527615 QVLUBEBZBHEZCV-KMEFSVQMSA-N 464.494 0.749 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837529385 SHBDBBRPMVZXIF-AYCRRAHRSA-N 472.502 0.328 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837561525 QSRKUNOZERRKOV-AMFJNGDOSA-N 469.498 0.822 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837701373 LFUWZQGDBNXJLV-MWTRTKDXSA-N 458.490 0.387 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)CC2)CC1 1838711254 VDGVUZFVHWKZRB-UHFFFAOYSA-N 472.523 0.826 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(-n5ccnc5)ccn4)C3)C2)c1 1838738170 UTCCZMGJWLMYIH-HSZRJFAPSA-N 461.482 0.851 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C3)C2)cc1 1838951023 SZHISJGZWKYWPB-QFIPXVFZSA-N 485.522 0.094 30 20 JCED CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839138084 GPVGFMXZVGSEFP-QUZZAMIASA-N 481.546 0.470 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1839421935 UKDMKDMAOWEAOS-HSZRJFAPSA-N 499.455 0.537 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839422480 WUJYNMFCAABPSV-DEOSSOPVSA-N 493.532 0.837 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1839452496 FALLCGOBNYHIIC-VWLOTQADSA-N 492.536 0.581 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H]5CCNC(=O)C5)C4)C3)c2c1 1839489175 OUSSDHLNEXUEQF-QMHKHESXSA-N 466.498 0.031 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839693252 TVFGXNKBZWKNRN-SXFMOBQTSA-N 484.601 0.312 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839887174 YMOBCDCYNWKGGH-MGPUTAFESA-N 477.505 0.540 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840035891 JKOOBLHQGDQQBS-FZZNZUPLSA-N 467.522 0.391 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1Br 1840043626 KRQLHYUWVRUAKC-FQEVSTJZSA-N 481.299 0.616 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840165140 OPCLEPSSQIKPHK-VTJXTGGHSA-N 489.591 0.218 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C(=O)OC)cc3)CCO2)C1 1840278100 SVWWAXNROVAVSI-UUOWRZLLSA-N 458.511 0.510 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCN(C)CC4)C3)C2)c1 1840714920 LYRLWVCMXWGLIA-CJFMBICVSA-N 469.586 0.631 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812399 OITOKOPRJDUEIC-OPAMFIHVSA-N 466.535 0.022 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)CCOC1 1840814679 DNDOTOBXRBYCGI-DNQXCXABSA-N 492.573 0.820 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1840907262 SMOIEFXZZIBOOE-UZUQRXQVSA-N 465.547 0.396 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)CC)C2)C1 1840913535 DMVJFJBTLTZPEA-ZGNKEGEESA-N 465.547 0.891 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OCC)C1 1844160880 GNWLPYVRAHEDQK-GJZGRUSLSA-N 452.508 0.171 30 20 JCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C3)c(C#N)c1 1845138979 OCVCJVYWVOKJMT-UHFFFAOYSA-N 474.583 0.984 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1845200412 FBAFYKNHPVFFNG-IEBWSBKVSA-N 466.579 0.700 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccccn2)c1=O 501761641 IADNIDPVNUENLS-INIZCTEOSA-N 456.524 0.056 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 501770272 NUSVMVSKINQKPJ-UHFFFAOYSA-N 456.480 0.553 30 20 JCED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 502321993 XTDKKEXBNZKBCR-UHFFFAOYSA-N 451.368 0.846 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C1CCN(C)CC1 518723379 UFVRBOJBWVHLRZ-UHFFFAOYSA-N 456.568 0.451 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cc(OC)c4c(c3)OCO4)c2=O)cn1 523576858 HRACYGZUSKLURH-UHFFFAOYSA-N 493.545 0.978 30 20 JCED N#Cc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 561198250 ZZQYIBHTHVMWMT-UHFFFAOYSA-N 477.568 0.541 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 603792942 PMLKZQWWZMBURP-UHFFFAOYSA-N 484.578 0.064 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(=O)N(C)C 604270432 ZEPCNMVMAKGEDR-UHFFFAOYSA-N 493.383 0.026 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cc1F 604270520 VPOACWLNEQHCGJ-UHFFFAOYSA-N 458.515 0.271 30 20 JCED N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 608912389 VYQYPVFSMAGEEC-UHFFFAOYSA-N 478.442 0.418 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(C)(C)CN(C)C 608912411 MBUQQIIPPOVEJX-UHFFFAOYSA-N 487.582 0.671 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)C1=O 726042273 GDSFAWFKASGDFL-CYBMUJFWSA-N 482.371 0.813 30 20 JCED C[C@H](NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 727010961 SPYGJMYMAGJGBM-UONOGXRCSA-N 458.496 0.745 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNC(=O)c3n[nH]c4ccccc34)CC2)o1 728101219 USHFJJIULZDMJS-UHFFFAOYSA-N 465.470 0.743 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCOC 729671398 ITNJSZJCLRHLPX-UHFFFAOYSA-N 457.552 0.535 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc(Cl)s3)CC2)o1 750214059 PBOJWLJEHLCAKF-UHFFFAOYSA-N 487.947 0.740 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 844254201 IZECQEJDBYBDHZ-UHFFFAOYSA-N 482.541 0.838 30 20 JCED CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCCNS(C)(=O)=O)C1=O 914555135 AKMUIQFXRFUTNU-HNNXBMFYSA-N 455.562 0.652 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)CC2)o1 915391904 XXPDWKBSCLIRDQ-UHFFFAOYSA-N 477.499 0.738 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cc3C)c(=O)n2CCOC)CC1 916199894 MENVDAPRCICEPO-UHFFFAOYSA-N 454.596 0.840 30 20 JCED CCN1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1 918279005 LADIPNVSTKABEK-QLYXXIJNSA-N 492.646 0.972 30 20 JCED COCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1 918408929 BSVNSXFOLZNHIP-CLCOLTQESA-N 493.586 0.535 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(=O)NC(C)(C)C 918824589 PEOFYNKDCLOOGZ-OAHLLOKOSA-N 466.560 0.714 30 20 JCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)N(C)C(C)(C)C#N)c1OC 919227939 ZGRKCIQBVABYPU-UHFFFAOYSA-N 469.516 0.642 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CCO1 1299155090 NBGXLBBRCWMXJT-PXNSSMCTSA-N 469.546 0.401 30 20 JCED CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1299306504 RTSOWDUSOUYNEY-NRFANRHFSA-N 470.559 0.871 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CCO1 1508380549 VMOSQSUDMBXGJG-NRFANRHFSA-N 453.547 0.880 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1548327546 JIJMIMRRCTYKBH-QFBILLFUSA-N 472.637 0.982 30 20 JCED CN(C)CCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1552868175 VROCBWUFBZRWOJ-RBUKOAKNSA-N 465.624 0.183 30 20 JCED C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)N(C)C1CC1 1692726022 IYLKIKCVAAOWEM-OGWOLHLISA-N 455.560 0.536 30 20 JCED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1730772784 RSPAVVMJGCKMFB-UHFFFAOYSA-N 455.519 0.949 30 20 JCED CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)c2ccccc2c1=O 1746472682 IUHBZPFLPIJJGQ-CYBMUJFWSA-N 472.456 0.785 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1750210731 XMBWGLJDYXCCLU-UHFFFAOYSA-N 459.532 0.741 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 1760374746 XAGMKPZVVVHYOC-MRXNPFEDSA-N 472.999 0.859 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778834630 QDJIMTMBVCAKDZ-USIODYLJSA-N 474.558 0.568 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1778942988 RNOKYTUWMVLGSX-KSFYIVLOSA-N 461.519 0.258 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)cnc2C1 1779950109 WFZPOEYWNZTRIE-QFIPXVFZSA-N 458.519 0.991 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CS(=O)(=O)N4CCCC4)CCO3)C2)c1 1780173872 IINJIHMHIHBBGA-JOCHJYFZSA-N 476.555 0.436 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780808545 XVRZUSOPMPVIGA-UGTJMOTHSA-N 476.578 0.772 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CN2CCSCC2)CCO3)c(C#N)c1 1781171083 IVMTUYIMDQDSKT-QHCPKHFHSA-N 458.584 0.988 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782011106 MOCWNNKCMMKXNX-ZAEZVXHUSA-N 481.546 0.517 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccnc3C)C2)C1 1782781445 VNZOKFAGQOBTLK-MBSDFSHPSA-N 459.547 0.938 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783601708 CTNICMVLRVLNMW-UAVUOLJFSA-N 497.589 0.846 30 20 JCED CCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1784369718 HMNFYIQJXHPMQI-UJNZZBMASA-N 452.515 0.943 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)cc1C#N 1785193781 GMKKQFGCGSBVJU-HSZRJFAPSA-N 469.498 0.341 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786701141 RFNNYQWPWPAADM-FHWLQOOXSA-N 482.578 0.828 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1)c1ccc(O)cc1 1786844307 FKSIDXRAICPYJY-WAGURGNTSA-N 467.570 0.709 30 20 JCED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788244671 HDTNCJSLCAYDKW-ATIWLJMLSA-N 463.531 0.557 30 20 JCED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C[C@@H]21 1788521159 FCFPRFDFLDIDCJ-RDGPPVDQSA-N 498.584 0.182 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(C#N)c4)[C@H]3C2)CC1 1789509389 RDRUQKKLNAMLDN-FKBYEOEOSA-N 453.543 0.316 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789841562 WZZPQRLKMPJCRJ-GWKIZSTFSA-N 454.527 0.780 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)c1cccnc1 1791073212 RWWAOBOUGPVGNJ-NTLWEQJWSA-N 486.525 0.715 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC(N)=O)C[C@@H]21 1792268009 REHFKSAULIVODP-YZZQMHEZSA-N 493.605 0.882 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cnc4c(O)nc(NC(=O)C(C)C)nc42)C3)C1 1792442809 BQAWWPGLHRBXJH-ALXJQNPVSA-N 497.556 0.682 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 1792489102 GBHLMWBWPVMDDS-ZGTWVAKBSA-N 476.574 0.691 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 1793010927 HWQOZTNDJRPEQJ-XJEPWFOTSA-N 493.626 0.825 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(N3CCCNC(=O)C3)n2)cc1 1794506535 KCFQUTISRZMZGD-IRJINJETSA-N 488.548 0.797 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C 1795519116 VZXYTTYXTXEVPL-AJYBTWMASA-N 492.621 0.536 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C 1797598103 MAFFKCIRXMUMAF-DMUMMCEESA-N 492.621 0.536 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3(O)CCCCC3)ccc21 1797782765 RFGCLDYTPGHEDJ-BBIADKPPSA-N 480.565 0.779 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccc(O)nn2)C3)c1 1798579466 FWJFSSWBEPBBPV-VPTLXERWSA-N 453.455 0.345 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1799233453 YHKYYRXEPWFAIZ-PKRADWSKSA-N 476.574 0.409 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)CO1)C2 1800453909 PTUCEIWSJALHSE-IVSAIRAKSA-N 457.474 0.480 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C(F)(F)F 1800548741 TWVZAWKIDFZIJB-LXTVHRRPSA-N 464.485 0.937 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)n2cnnn2)N(C(=O)OC(C)(C)C)C1 1801440551 XGAHOFHFKKRLOI-DFBDCSAJSA-N 475.550 0.389 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](S)C(C)C)C2 1802084608 PYXBLBOTUGXLDG-JJTUDDRGSA-N 487.619 0.987 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1802127937 ZSCMSBLXPNUYTL-HLPPOEQASA-N 490.479 0.171 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)[C@H]2SC(=N)NC2=O)[C@H]1c1cccnc1 1802480253 FNHUAVNNJSFZSS-ALDIBLFJSA-N 484.582 0.748 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810357140 OOFKUPMCLKPHBG-RNLJDXCRSA-N 452.533 0.661 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819894068 UXCFVJFHCLVRIZ-BTYIYWSLSA-N 471.539 0.656 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCN2C(=O)OCc1ccccc1 1829211530 AZWFXCPPSQOCLL-HFZDXXHNSA-N 481.597 0.708 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1829762960 VDNOOJTWBVIUGY-FAXAYETOSA-N 492.573 0.311 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829899036 QZPZTFGDAOLCMX-XMMPIXPASA-N 456.543 0.864 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830575709 HYXVUSSZSNCKKE-ARBHZFCZSA-N 467.563 0.683 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1830778717 JBKBWOSKDNUZDE-FIKGOQFSSA-N 485.628 0.437 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)C1 1831396939 MUTNJNDQDDVVHM-OBWXTZQISA-N 471.510 0.514 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1831425873 GHSYIVVBIHIEDL-KUSROVSMSA-N 461.515 0.500 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1831438506 SZWIBFWBBNWKEU-ZHRRBRCNSA-N 484.546 0.890 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831464845 SOJQIFJJYGJPGM-BTYIYWSLSA-N 467.519 0.448 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487848 KFSHQDZLWUJEJZ-PNXCTOMCSA-N 468.595 0.422 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1831998882 USRUONZTCUEMSC-ZHRRBRCNSA-N 463.535 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnc(N(C)C)o3)CC2)CC1 1833073943 RAHUXQKTMBDPFL-WAYWQWQTSA-N 458.563 0.784 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)c1 1833495923 AOVDZWUZZOHBGU-QFIPXVFZSA-N 451.439 0.430 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)c1cc(O)ncn1 1833554803 YYJCTFLOBYHBGB-PFRKPPGBSA-N 460.535 0.896 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833787171 ATSKYICTOSQEFR-DQFTVGBOSA-N 467.910 0.729 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc5n(n4)CCNC5=O)CC3)CC2)cc1 1834329075 NGEQQFAIVNVQKF-UHFFFAOYSA-N 475.553 0.997 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)cnc2C1 1834763737 VHFIPGPPOMBGSQ-HSZRJFAPSA-N 488.545 0.617 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)ccc1Br 1835123965 KYWJPGHNNKCNJR-UWJYYQICSA-N 491.342 0.669 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1835167129 CTYRKGAFLXEBRZ-VRWDYKOXSA-N 471.510 0.273 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835833825 GRSGFQZSVYDSBW-WMZHIEFXSA-N 460.531 0.437 30 20 JCED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836321703 CCFXPFPUPLMSAQ-HXUWFJFHSA-N 484.431 0.995 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836477001 QZFKQQLMOCRAAH-IUKKYPGJSA-N 464.563 0.440 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc4nncn4c2)CCO3)cc1 1837011449 CYWFTDHQFWUXGW-XMMPIXPASA-N 460.494 0.914 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC)C2)C1 1837342012 QMUQQSAHVMGBQT-UZUQRXQVSA-N 498.577 0.658 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1837399675 ZGHCAEXABZYWPB-ZHRRBRCNSA-N 476.555 0.399 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1837524550 JCFOZGUFVSFHCE-HNAWTQNHSA-N 486.529 0.417 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837529395 SJSOUEOTBIBILC-IXUOJCAQSA-N 472.502 0.328 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)c1 1838581686 IEITWHRAHMMHQU-NZQKXSOJSA-N 485.566 0.663 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595706 ZAKAKPGQGGRKBB-BTYIYWSLSA-N 498.989 0.609 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cccs4)C3)C2)c1 1838732720 ZFYBWRKUFMKMDE-NRFANRHFSA-N 457.512 0.448 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1 1838757848 DNKHPOMEIDWDMR-ICILYHDOSA-N 478.550 0.632 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CC[C@H]4CCC(=O)N4C2)CCO3)c1 1839083543 BDIAVLYUWILSIO-IUKKYPGJSA-N 455.515 0.357 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839130648 KUNRQKUKMHXXGJ-UUOWRZLLSA-N 494.589 0.228 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)ccc1F 1839186756 MWYBXUBNQZATRR-QHCPKHFHSA-N 453.474 0.729 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1839203675 RTFYHDAAIZWPBM-HOIFWPIMSA-N 489.635 0.673 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1839204044 FISVYRGCHXKJPD-KKSFZXQISA-N 491.532 0.930 30 20 JCED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)c(=O)[nH]c1C 1839361425 JDKJBZYUWIBBJU-XMMPIXPASA-N 465.510 0.837 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839371999 AXEUJTOKYRAIRG-QFIPXVFZSA-N 462.503 0.155 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccccc2-n2nccn2)CCO3)c1 1839380368 FZUOZCVLSDDOEK-QHCPKHFHSA-N 461.482 0.851 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421722 HODCATCCUYJGSI-SSOJOUAXSA-N 495.511 0.981 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(=O)Nc5cccnc5)C4)C3)c2c1 1839488425 QONYFPQSVCZDBY-XMMPIXPASA-N 489.492 0.538 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(O)Cn3cc4c(n3)-c3ccccc3CC4)C2)C1 1839810066 BOOFATPAGSSBEG-FTJBHMTQSA-N 478.549 0.489 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840040321 UXRBRYKXFJIKOQ-MFEFFIJZSA-N 479.530 0.224 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c(O)n1 1840191490 ARBUSCYQDYEDFV-QFIPXVFZSA-N 479.555 0.794 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840290699 FMKDZAYKXLBRIU-GAJHUEQPSA-N 463.531 0.782 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840436546 MVSAWTVAXBEPFA-AMFJNGDOSA-N 457.531 0.748 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)c4cccn4C)CCO3)C2)c1 1840483639 YBHPOLANSFWWDJ-XMMPIXPASA-N 466.494 0.858 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cnccn1)CCO2 1840486635 OINKDFDNHYNTSQ-XNFUEYNNSA-N 459.503 0.475 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1840714112 NLUJLDPCHVMTTJ-ICPLQIHGSA-N 457.531 0.831 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)cc1C#N 1840763468 FVFMGKCWUBQIBS-SKPFHBQLSA-N 472.542 0.138 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840946052 UEBYFEQPDHYPOP-IFXJQAMLSA-N 461.556 0.720 30 20 JCED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1841612718 NGZUAGJOAGPGDD-QGZVFWFLSA-N 464.563 0.860 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196285 HJNHTISNPQIDHJ-UHFFFAOYSA-N 467.519 0.226 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 16559204 DIZFPBXOXLEPKT-ZDUSSCGKSA-N 465.509 0.430 30 20 JCED CCn1c(=O)c(=O)n(C[C@@H](O)COc2ccc(CC#N)cc2)c2cc(S(=O)(=O)N(C)C)ccc21 28920624 AUISKKDZBILCCL-QGZVFWFLSA-N 486.550 0.939 30 20 JCED CN(CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccc(C#N)cc1 29671435 FOOBOTYZNVXUTH-UHFFFAOYSA-N 470.507 0.892 30 20 JCED CN(CC(=O)NCCCN1CCN(c2ncccn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 32334156 ZBCOIWTZMNGMLU-UHFFFAOYSA-N 457.560 0.297 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)CC2)cc1 487559564 SCPZRRQQTDAKNE-UHFFFAOYSA-N 473.599 0.726 30 20 JCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)cnc21 488666590 BSHJBIOOXQQKOM-UHFFFAOYSA-N 477.506 0.965 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3nc(C#N)c(C#N)[nH]3)CC2)cc1 501766874 PQFXODCQZGYEOD-UHFFFAOYSA-N 455.500 0.713 30 20 JCED CN(C)S(=O)(=O)c1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccc3)c2=O)c1 514645886 OZDZNHKPJYRGNY-UHFFFAOYSA-N 494.598 0.931 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCC)cc2)c1=O 523743239 DOFPJCRBABWLKJ-UHFFFAOYSA-N 457.552 0.707 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2c(Cl)cccc2Cl)n(CC(N)=O)c1=O 524281170 KAAPVCHQXZWTPK-UHFFFAOYSA-N 462.318 0.821 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccc(OC)cc3)c2=O)cn1 556963844 MBSVMUFSSZBSCW-UHFFFAOYSA-N 467.551 0.780 30 20 JCED CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 560158530 WGQSWFQNPFOFAN-UHFFFAOYSA-N 455.496 0.988 30 20 JCED C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 604046690 KVNKHJYWKCWBLR-AWEZNQCLSA-N 468.582 0.820 30 20 JCED C=CCN(CC=C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 616694843 FGEYRNZPDGNISN-UHFFFAOYSA-N 478.571 0.683 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)CC1 728534417 LEKBAPLHVDKDLW-GOSISDBHSA-N 498.609 0.484 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)c1 753643690 DSMNJILMUULZDH-OAHLLOKOSA-N 450.513 0.945 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 811833733 PNYCBOJZUGEFAL-ZDUSSCGKSA-N 465.509 0.430 30 20 JCED Cn1cc(C#N)c(=O)n(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)c1=O 833922915 HNHFFPAORNWDQD-OVCLIPMQSA-N 457.443 0.410 30 20 JCED CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCCN(C)S(C)(=O)=O)C1=O 915112017 TWSNCWSPKYBNBA-MRXNPFEDSA-N 469.589 0.994 30 20 JCED N#Cc1ccc(NCCNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)nc1 918263760 JHTFIGHPWXRSKI-LJQANCHMSA-N 464.482 0.134 30 20 JCED CN(C)S(=O)(=O)N[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCCC1 1299207308 VYXNTOKBHOTNDD-SFHVURJKSA-N 456.590 0.544 30 20 JCED CN(CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1314851721 ZNKYPKHCPUHRSL-PMACEKPBSA-N 489.602 0.866 30 20 JCED Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N2CCSCC2)cn1 1314901112 WESKWLBEUCTYSD-QGZVFWFLSA-N 454.557 0.499 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)C1 1447484316 LZMIHFSHJMNEEK-CABCVRRESA-N 451.524 0.941 30 20 JCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN(C)S(=O)(=O)CC 1499164186 KSKVIDUWZPFTBV-MRXNPFEDSA-N 461.596 0.889 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1517621079 MOLSRLVFEWIVIL-GDBMZVCRSA-N 466.589 0.875 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CCO1 1554452084 UVPNOHMLOZQFFQ-OAQYLSRUSA-N 483.573 0.527 30 20 JCED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1554479480 QDROTROAJMWOPT-UHFFFAOYSA-N 453.425 0.980 30 20 JCED CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1554507297 JYARSSCHSMRJMT-KRWDZBQOSA-N 478.600 0.770 30 20 JCED COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1555210932 SARQUCLENVLYCZ-UHFFFAOYSA-N 469.546 0.985 30 20 JCED N#C[C@H]1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCO1 1632583922 XNDTZVZFTHABKC-INIZCTEOSA-N 454.936 0.704 30 20 JCED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)CC1 1643225093 XZRIPPLJTLTTSD-FQEVSTJZSA-N 450.609 0.394 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CCO1 1748222986 LLXYSZXGSZWBOM-HOJAQTOUSA-N 470.530 0.731 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1769152137 UUUHXUKGSBHSFD-UHFFFAOYSA-N 475.575 0.440 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](CC)NC(N)=O)C1 1777979699 GPKZMJSPYNQOPH-NDBKNAECSA-N 493.605 0.864 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779099917 PMUMCZLFZIJEMI-JVWRIUCFSA-N 489.529 0.352 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1779106605 LQXQKGLHADWKBO-RRPYSREYSA-N 477.474 0.115 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOCC1)C2 1779394964 GTMNSLFMXNHKKU-ZJSXRUAMSA-N 461.603 0.921 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060965 UVKCPPIRBIAKFL-QFIPXVFZSA-N 455.471 0.042 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)csc2n(C)c1=O 1780924453 NGYMRIRGITVXML-HSZRJFAPSA-N 470.551 0.085 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1781064080 ZOXGMXHXFKOMFK-MBPAZGTNSA-N 477.558 0.633 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1781165329 JHDMBZVCPDHXMC-HJPURHCSSA-N 475.546 0.389 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)CN2CCN(C(C)=O)CC2)CCO3)c(C#N)c1 1781172805 GRBGPSUYAKYWJD-RUZDIDTESA-N 483.569 0.103 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)c3cc(=O)nc5cccnn35)CCO4)c2c1 1782196988 VWRCVHNRGUQWPX-XMMPIXPASA-N 484.476 0.595 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nn(-c3ccccc3)c3c1COC3)CCO2 1783562091 BLFDOTMTJMAVHZ-QHCPKHFHSA-N 450.451 0.434 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C1)C2 1783567888 GPBSUDVKHVIUFV-JHQQDIAJSA-N 461.515 0.692 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)CCO2 1783889407 IPKWTIDDJCDLFD-PZPWOCDFSA-N 486.639 0.291 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1783990924 IFIXOYUUIVJQCZ-BURNTYAHSA-N 471.554 0.903 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]21 1784787349 ZGEJIZQXFMXCEV-TXTZMMAHSA-N 466.579 0.947 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1785571794 DKRISFGZPRDWQV-GAJHUEQPSA-N 475.546 0.789 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(=O)(=O)c3ccccc3)[C@H]2C1 1786584725 RVLCVQCBPOXEQC-VBNDLKKDSA-N 489.594 0.689 30 20 JCED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3cc(=O)n4[nH]nnc4n3)cc2)CCC1 1788409395 NWIRFJHIALMQBB-UHFFFAOYSA-N 463.502 0.842 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)C[C@@H]21 1788475356 NAIJQTJRHIRLBK-WMJIZHEVSA-N 458.515 0.971 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077738 GOBBBSXTGXXIDI-TURABVPUSA-N 461.515 0.454 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@@H]21)NC(=O)OC(C)(C)C 1792108948 IJTVWKBJGKDQRB-ATIWLJMLSA-N 453.584 0.112 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3[C@H]1O)C2 1792484541 KNDYYQYIIGRFEE-PAHZEPAISA-N 453.539 0.730 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc(-c3ccccc3)o1)C2 1792490212 PFPNIYROYLXRHE-PNVVKLOMSA-N 451.483 0.798 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1793082223 MKXPOKLMZAZGKV-ZSXDVEMLSA-N 465.547 0.250 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN(C)C(C)=O 1793743090 DWJKDNOVVOUQQY-DMUMMCEESA-N 466.579 0.914 30 20 JCED Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(Br)c(C#N)c2)C3)n1 1794592673 HUFFDZSIFSIOIN-MIFYACCESA-N 459.304 0.966 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1796394630 VEVSXCTYXHSOHD-MVJTYMMSSA-N 461.519 0.629 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2)[C@@H]1SC(=N)NC1=O 1796426698 FHGOATANYKWWGF-YYUMVQMSSA-N 471.539 0.329 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1c(=O)n(C)c2ccccc21 1797172089 ZZSRIUHCDFSFDV-FAQVEIGNSA-N 470.526 0.439 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1797703931 HXRVGZCPBHHQDJ-PTDVTHDLSA-N 473.570 0.329 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1797948145 WJDQTOGAFVQULO-DMHIMHRUSA-N 498.646 0.868 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)cc2)C1 1798921056 ARPPRSFTOXIFFO-LUYSREMJSA-N 484.553 0.989 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C 1799391503 MSELYIGOVPJCFM-AVEIZBFRSA-N 470.567 0.917 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2)c1ccc(O)cc1 1801051720 OASCGJWHNZDRRT-XTBXCEEOSA-N 468.510 0.077 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1802049867 SFXFULQWSPWVFP-QIEVIBBNSA-N 463.531 0.701 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2)C(C)(C)O 1802152106 NRICBOINBUYQJK-QKPAOTATSA-N 450.536 0.544 30 20 JCED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1802625751 HBVXQOVHOTZGLX-BJWYYQGGSA-N 454.531 0.266 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1803242731 BGTCHFZBDIIXEL-BBTUJRGHSA-N 486.525 0.811 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2c2cccnc2)c1 1807193215 CTVZKVYFGLMHON-NQSCKRDGSA-N 464.526 0.874 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808358161 XFKAWDLWTYJLSG-QKLQHJQFSA-N 474.514 0.715 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1810287546 BBCXHCVBEKJJHU-ODMMXCMLSA-N 451.531 0.816 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1810326306 AUNGDJROPSDGDT-GHTZIAJQSA-N 478.486 0.511 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810392825 OGXYCTSSSFGTHK-PPFPOQICSA-N 455.515 0.450 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1814934060 RRVAITQVGIXVIA-DGCLKSJQSA-N 465.532 0.385 30 20 JCED Cn1c(=O)c2c(CC(=O)Nc3nc4c(s3)C[C@H](NC(=O)CC#N)CC4)csc2n(C)c1=O 1822467594 KPNJNIBTNMYQHI-LLVKDONJSA-N 472.552 0.824 30 20 JCED Cc1cc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nn1C 1828704057 CUQSYAFFVGVUAL-VWLOTQADSA-N 493.520 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C(C)(C)C)cn3)C2)C1 1829766095 LLTHZNGCTYSXNC-POUSAUBHSA-N 471.558 0.703 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1829771290 PUWTWTOOKOESJX-CNXHMKESSA-N 482.537 0.500 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC3(CCN(C(=O)OC(C)(C)C)CC3)CO1)CCO2 1829846372 SYEDEEDOIOQHOT-UQBPGWFLSA-N 491.585 0.882 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1829959717 JASZSGAHPSLTRY-WSCWJOSJSA-N 454.527 0.910 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C(=O)OC(C)(C)C)C3CC3)CCO2)C1 1830066411 WZASTIRQAODAAG-KOSHJBKYSA-N 479.574 0.881 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cc1 1830218625 YEMJXEVKAUBKSZ-ZEQKJWHPSA-N 486.565 0.884 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1 1830460221 FSBNAAGYTLNSRZ-QHCPKHFHSA-N 467.482 0.462 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2C)CCO3)c1 1833874288 BEESWOGREDFLLN-DEOSSOPVSA-N 450.495 0.949 30 20 JCED CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1834411624 XNAXZZQTTDGUQQ-HSZRJFAPSA-N 453.499 0.924 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)cc1 1834559653 NCEWAFCVKVXECA-VWLOTQADSA-N 492.536 0.201 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCN(C)CC4)CCO3)C2)c(C#N)c1 1835402359 BRQJFUIAJXVFQO-SANMLTNESA-N 499.612 0.203 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c1 1835444822 AGHAARCJNBHNBD-DEOSSOPVSA-N 472.542 0.359 30 20 JCED C[C@H]1CCc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)n[nH]c21 1835676961 GLSCBLHNBFMFMT-QMHKHESXSA-N 458.563 0.811 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CN)c3ccccc3)CCO2)C1 1835811993 NCYULNUIZCVCPO-GBXCKJPGSA-N 457.575 0.467 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c(C(F)(F)F)n1 1836320810 PRDWMXFHXOCCIJ-SPLOXXLWSA-N 495.458 0.568 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836479778 PUWJEDYEKPHWBM-ZYLNGJIFSA-N 490.601 0.668 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1837446764 ONLSPGSPMLOLQH-DXPRYJPLSA-N 482.541 0.877 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837489404 FXUWEGWZJYJRPU-WNCULLNHSA-N 481.593 0.856 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490818 CBHHNVUCQGGHMF-DEOSSOPVSA-N 474.558 0.298 30 20 JCED CN(C)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524175 BEEVDULKODLVSR-FPHRNUPISA-N 475.546 0.747 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1837530680 OXCSNVJFUWTOSE-IRCLMUFRSA-N 492.485 0.899 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)C1 1838026841 ZZDQPIPOOCGWQZ-SBUREZEXSA-N 453.499 0.580 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC(=O)Nc4cc(C)on4)C3)C2)c1 1838581966 XURGNRLHMAEMBO-DEOSSOPVSA-N 497.508 0.962 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(C)C)C3)C2)c(C#N)c1 1839132032 NZUYPPMKMNRCOV-XMMPIXPASA-N 458.559 0.954 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1839184814 DFQILHSRPSDRIZ-SAHWJRBASA-N 496.561 0.411 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839678095 PAHJGWFCWUKNGL-DUQABTKISA-N 468.595 0.950 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO4)c2c1 1839784614 SITUSSGPHURODI-AVRDEDQJSA-N 487.538 0.082 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COCCC13CN(C(=O)OC(C)(C)C)C3)CCO2 1840008282 FBLAQAVERKTUIV-HOYKHHGWSA-N 477.558 0.350 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2)c1ccc(O)cc1 1840233668 XUXKLFKLHIYLOC-LZCXECNNSA-N 483.565 0.872 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CC(OCC)OCC)CCO2)C1 1840282621 HPYNDGZDFQKUGR-QFIPXVFZSA-N 456.536 0.741 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840802425 LYQPMCFPTKABES-GMSRIDPHSA-N 498.577 0.887 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1840844204 IZMFVSYVJMULPU-GLYQVZKVSA-N 479.574 0.617 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2 1841056233 YZGJTPRFHQSXGF-HLRDLLSLSA-N 478.546 0.505 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1c(I)cnn1C)C2 1841600096 FRTRBMXOUWWWAW-LBPRGKRZSA-N 456.284 0.880 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844315959 UXLOVJWMIJIYGD-PZLKWIMZSA-N 461.519 0.671 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022364 UTNRLUCVAGBBJP-NMONLQQWSA-N 461.544 0.624 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1845199538 FAZOQSJNLXWAKD-OAHLLOKOSA-N 474.495 0.774 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1 25965018 HTCWHFAGHRRXTE-UHFFFAOYSA-N 474.495 0.048 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 494103258 LSZIUNMQIMSONW-UHFFFAOYSA-N 479.536 0.838 30 20 JCED CC1CCC(NS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 514457933 XRUDYBIGXMWPSQ-UHFFFAOYSA-N 468.601 0.889 30 20 JCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 515945204 MILHSLGTCXTSPL-UHFFFAOYSA-N 450.455 0.143 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cccc4c3OCO4)c2=O)cn1 522389354 GEVYOVQNPPUECF-UHFFFAOYSA-N 451.508 0.872 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1=O 522720468 RVUBLPUVCOSLGW-UHFFFAOYSA-N 452.389 0.967 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cccc(OCCOC)c3)c2=O)cn1 523581332 SYIWIHSNDGBDLI-UHFFFAOYSA-N 453.524 0.390 30 20 JCED CC(C)C(=O)N1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 524366273 XYBLZUNEFDLMHI-UHFFFAOYSA-N 461.588 0.581 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)o1 608828868 OMKWEWHZIGJMKS-UHFFFAOYSA-N 486.575 0.535 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3[N+](=O)[O-])c2=O)cn1 608884098 SIOZPHKATVAUEQ-UHFFFAOYSA-N 493.501 0.573 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 618433711 SCADATXCYOUQSE-UHFFFAOYSA-N 482.541 0.836 30 20 JCED CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccnc1 727814665 VPVRUFMXDZAXIO-UHFFFAOYSA-N 480.594 0.715 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NCc3cccc(C#N)c3)cc2)CC1 746549234 QMIDFSJGODTXQH-UHFFFAOYSA-N 484.534 0.884 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 887216604 BPUUGZDGGMHBLX-AWEZNQCLSA-N 469.516 0.202 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NC1CCN(C(C)=O)CC1 899233738 MZSQWSPUBHHYOB-XMMPIXPASA-N 468.510 0.822 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 916533663 SQWSKGQLQGQWHO-VLIAUNLRSA-N 452.533 0.653 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc4c(c3)CCC4)c2=O)cn1 920396488 CIPBXBGGANDPSU-UHFFFAOYSA-N 461.547 0.483 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)c(OC)c1 1300076479 GZHBEOXHJABBRZ-HNNXBMFYSA-N 450.521 0.582 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CCN2CCCS2(=O)=O)cc1 1316534158 QKDJBROAKCBUPT-UHFFFAOYSA-N 460.560 0.973 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)NC1CCCCC1 1360707499 FOUBLGUXXOSNGL-CRAIPNDOSA-N 478.623 0.514 30 20 JCED CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1617405867 HXEAAYJCHNKPOU-YPSMLTEGSA-N 459.580 0.562 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1694356479 ZYVABFWKJBXPCG-MRXNPFEDSA-N 485.636 0.304 30 20 JCED CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1697024964 ZKGLDZAMZZGDKI-UHFFFAOYSA-N 453.532 0.483 30 20 JCED CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1711348346 NFDGHIQMMDDCJN-NRFANRHFSA-N 494.600 0.855 30 20 JCED CC[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1729249163 YANQWVZGSRPRBP-BCOMRZATSA-N 458.610 0.510 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766698173 ZJJNAYOXRWUUSZ-QGZVFWFLSA-N 466.612 0.264 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1781187356 GNNVONPBJWNOTK-YCRPNKLZSA-N 452.508 0.576 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cc2C1 1782560772 BKHRWBBMNZHZEV-HSZRJFAPSA-N 457.579 0.444 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)CCO2 1783895626 YKHUZDMSWVQOTE-IWLLQYOYSA-N 457.593 0.753 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](Cc4cnc[nH]4)NC(C)=O)C3)C2)c(C#N)c1 1784373689 UCSTZPZZPQESAF-RCZVLFRGSA-N 494.552 0.410 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1784784408 MGYGZLCKYBHASJ-BCYZHJNNSA-N 478.590 0.962 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1785424995 FQJHFWXRDMUULI-KOSHJBKYSA-N 478.590 0.991 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1785576498 DRBINIPMPDBXSI-MWTRTKDXSA-N 483.529 0.484 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C[C@@H]21 1786858275 RBOWYGBNIIDTHV-YYWHXJBOSA-N 495.580 0.934 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1787509784 CYIVFYXBSAZHTJ-NKCWYTJXSA-N 460.512 0.019 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1788576596 WIFSNQMSBDWDCT-XSEPRYCASA-N 495.617 0.910 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789198235 VJMNUUDEAMJPSC-CVYDXHPNSA-N 456.503 0.484 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1789838790 UNTCCKQJQZUIHJ-PXQJOHHUSA-N 492.617 0.386 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1789955117 DYCFPCOSDNFVBM-FPSMNIFISA-N 470.567 0.653 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)OC)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791379241 XRTIEWDOUUKHFS-XSLAGTTESA-N 480.562 0.888 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1792889370 PAHSQYZWMZRQOL-IYWMVGAKSA-N 472.542 0.841 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258860 USHOBZPFAVPJPI-HFNNTQPYSA-N 481.615 0.651 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c(C)c1F 1794477146 XUSZRTVHOOAYNO-JYYAWHABSA-N 463.510 0.977 30 20 JCED COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cn1 1796563362 OYIPUNHGIIDNFB-TUFSQHOOSA-N 460.487 0.600 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 1797279480 JETAOZIUIRUKAR-HVRFAWQISA-N 467.538 0.963 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco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c1cc(Br)ccc1[N+](=O)[O-] 1799568093 KFOYFTBCMWQWBM-YQYWCBKUSA-N 466.244 0.649 30 20 JCED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)cc1 1800284985 MXECWICMUGGBAO-RMFSNUHRSA-N 465.466 0.726 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nc1)C2 1802125652 MOMQUFUFATUGQU-ZMMAXQRCSA-N 458.515 0.907 30 20 JCED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1802581315 PWEQNSGFPNHMHR-RDGATRHJSA-N 465.554 0.488 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808258335 JFKBANANVVWVNE-YDZRNGNQSA-N 460.579 0.843 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1810332134 SVHKOTFPJXFJIT-AVRDEDQJSA-N 467.526 0.338 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879011 CYABPIGQKAWGOQ-LZJOCLMNSA-N 474.514 0.451 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814567409 ZICISLRWXMVPKE-HXNSDUKSSA-N 451.549 0.916 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1828284437 KBJXTQBHAZZXMW-KCQAQPDRSA-N 492.602 0.565 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1828513580 GDMGGSKMPDAQBP-DEOSSOPVSA-N 480.525 0.864 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CN)CCN3C(=O)OCc2ccccc2)cc1 1829049943 KUCQRIYPFLIEHT-NVQXNPDNSA-N 490.564 0.910 30 20 JCED O=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)=NN1 1829121643 WQAXXDKYCVXXQO-VWLOTQADSA-N 477.521 0.728 30 20 JCED CN1CCN(c2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)cc2)CC1 1829695195 IWRPJYZCSULDLO-XMMPIXPASA-N 455.559 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)c3cccc(Cl)c3)C2)C1 1829765573 ZTMWBHSUDYSLRM-LCRIVSMXSA-N 476.961 0.655 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cccc(O)c3)C2)C1 1829771151 ISGXIMYLSNNZGH-WVJZEBSHSA-N 455.511 0.720 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829906114 USNFRRAMSCZHAF-YKSBVNFPSA-N 488.541 0.400 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1830568495 BFUCRKKCIVTNAP-CKJXQJPGSA-N 475.608 0.283 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1831412055 BKYOVTSDLUDKRR-XMSQKQJNSA-N 471.551 0.269 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)c3ccccc3C1=O)CCO2 1832536060 WLYSXDPODCYIJM-DEOSSOPVSA-N 453.495 0.543 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)CCO2 1832541242 WIYXTWCWKSNHCW-XMMPIXPASA-N 468.510 0.823 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCn1c(=O)oc3ccccc31)CCO2 1832761112 UTCIGROVLYPPAI-HLHNIQGOSA-N 499.568 0.913 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc4sccc4c3=O)CCO2)C1 1832896943 ZXMLZLXETLAJDF-VBKZILBWSA-N 451.570 0.838 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)N4CCOCC4)CC3)CC2)c1 1833237303 SLQDWGJCBUIOBC-SANMLTNESA-N 483.613 0.713 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn(C)c2C)CCO3)c1 1834427740 ZYGRCXUODZFRHV-HSZRJFAPSA-N 453.499 0.993 30 20 JCED C=C(C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1)C(F)(F)F 1834797587 NEDRHVWJNHQHCY-UHFFFAOYSA-N 467.452 0.721 30 20 JCED CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1835257241 XWSFBAULWGVWES-IBGZPJMESA-N 455.920 0.326 30 20 JCED N=C(N)SCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1835502404 ATMKAIRRBAECAJ-HXUWFJFHSA-N 450.948 0.775 30 20 JCED CC(C)c1nn2ccccc2c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836383417 VQWYEVGFEXUNFC-HSZRJFAPSA-N 454.483 0.616 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3CN1)CCO2 1836485381 VSDNVMHKXFYQCO-OFVILXPXSA-N 471.554 0.667 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1Cc3ccccc3C1=O)CCO2 1836590121 JWEHCIXULWTVKO-UKDBKGKESA-N 496.564 0.347 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1837116867 RYEQNHGIIOMZLH-YOEHRIQHSA-N 451.524 0.384 30 20 JCED CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837447519 QFJCDGJJMDKOTO-IPACTHBOSA-N 485.585 0.930 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Nc2cnccn2)CCO3)c(C#N)c1 1837483087 JMFFBVDTJKDWDL-IQGLISFBSA-N 494.552 0.856 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1837530547 NOHLFZNLAQBVKD-JYRBOFFYSA-N 475.542 0.575 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)n1 1837658996 JRVPKAJYGUHBAE-VWLOTQADSA-N 479.537 0.929 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)ccc1F 1838375707 HOLFXHSCNXGXMS-JOCHJYFZSA-N 455.446 0.506 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4sc5nccnc5c4N)C3)C2)c1 1838736035 FVHPQFIRENGORW-OAQYLSRUSA-N 467.511 0.857 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204629 TYHRIKJJZMQJIY-YADARESESA-N 481.590 0.912 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839384768 QIODOLXCGOKEKX-OXQOHEQNSA-N 459.565 0.205 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)nn1 1839421369 MGXZCTFOPBQQFL-JOCHJYFZSA-N 455.446 0.880 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839436728 KOQXEHJHXXTGAE-YNMPAXSUSA-N 498.540 0.866 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C1)CCC2 1839582629 JLOKDFDGUDJKEZ-VWLOTQADSA-N 470.570 0.677 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1839808424 RDILWTPOWXFJPH-GSHUGGBRSA-N 453.511 0.671 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1840160472 IAYUSVBIBHEBSI-IIBYNOLFSA-N 450.561 0.307 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOCCOC)C2)C1 1840174393 BBXNCRFQTIQEHQ-JOCHJYFZSA-N 458.552 0.105 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840344575 KPZUCBMBWVPJBE-HTAPYJJXSA-N 476.534 0.216 30 20 JCED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840431584 LKOMINQSWQGBQW-YKSBVNFPSA-N 458.559 0.674 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1)NC(=O)OC(C)(C)C 1840796770 PBYQJNNEQOWVBN-GSHUGGBRSA-N 455.552 0.683 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840799347 SVTDAVUMLFQNOF-CYFREDJKSA-N 459.543 0.854 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1840819354 GNIOVYQJOPHDKL-QHCPKHFHSA-N 483.550 0.976 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c(C)c3Br)C2)C1 1840843087 UGEJYGABKITNNK-IBGZPJMESA-N 453.337 0.974 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880213 CKERFVSHQULBJC-SXBBHYFQSA-N 488.541 0.555 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CNC(=O)O3)C2)CC1 1841649939 XMWSPBNOBNQWAW-HNNXBMFYSA-N 461.519 0.839 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1845230712 WAUCFTSSQOUITI-RNZRIQSHSA-N 468.551 0.995 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCN(C(=O)OCC)CC1 18760397 MUQKKFDYKZVFHY-DEOSSOPVSA-N 484.509 0.995 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 25438974 YPSFAYSZFQGKJM-UHFFFAOYSA-N 467.507 0.757 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCc2ccccc2)CC1 502049512 IMAMJXKIXKQEJF-UHFFFAOYSA-N 476.606 0.553 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC2)c1 503240642 NVONZTNDIMLWAE-UHFFFAOYSA-N 484.586 0.332 30 20 JCED CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CC#N 504655283 QMFSGDRXWSXSTQ-QGZVFWFLSA-N 454.574 0.541 30 20 JCED O=C(CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1)N[C@@H]1CCS(=O)(=O)C1 509995258 GVPFFYYVIIOFKE-HXUWFJFHSA-N 453.520 0.835 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 523238801 APUQHKCXAPUFMO-UHFFFAOYSA-N 481.484 0.816 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3cccc([N+](=O)[O-])c3)c2=O)cn1 523858561 QWSDNPIISIXDPG-CQSZACIVSA-N 482.522 0.678 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 603796574 JNWXFUQQIUTCHY-UHFFFAOYSA-N 461.540 0.611 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CC(N)=O 608912614 YADRKQIRJIIZBN-UHFFFAOYSA-N 478.958 0.103 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC2)C[C@@H](C)O1 725766403 LJPKHFVTQHEKDO-HYFFOGBASA-N 490.586 0.254 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)COc2c(Br)cc(C#N)cc2OCC)CC1 728531681 NAMIIFXAEIFJND-UHFFFAOYSA-N 463.332 0.992 30 20 JCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@H](C)N1CCOCC1 729885333 ZUIRIRPVVSPLRN-BTNFHWIDSA-N 465.576 0.663 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3c(C#N)cnc4ccccc34)CC2)c1=O 748797957 SXTYTWCWMNJOEF-UHFFFAOYSA-N 459.510 0.743 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)c1=O 915794632 GBTZYKLAZPAAPM-OVCLIPMQSA-N 454.468 0.149 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917784590 ZIEBJMVZGGYUOR-UHFFFAOYSA-N 459.572 0.842 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnc3n2CCCC3)cc1 918271906 RDUSONZOLPIFFO-UQQQWYQISA-N 459.532 0.682 30 20 JCED C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1288518385 KEXBMFHUXBAAAY-OAHLLOKOSA-N 470.559 0.966 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1315067854 QWRZXHKAXBRYKG-UHFFFAOYSA-N 469.527 0.921 30 20 JCED COc1cc(F)cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1315338143 PTEFXJNVFYYOSM-ROUUACIJSA-N 480.522 0.536 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359151141 NVPUMIMZECTEMQ-KRWDZBQOSA-N 492.993 0.957 30 20 JCED CC(=O)N1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C)(C#N)CC2)CC1 1508277905 JIBNQJIFQDFVRG-SFHVURJKSA-N 463.608 0.474 30 20 JCED CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1515393383 JIGDZODXJMFDBU-QGZVFWFLSA-N 466.589 0.722 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)C)CC1 1593886170 REQSIGBPBFQXPX-OAHLLOKOSA-N 460.988 0.668 30 20 JCED N#Cc1sccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 1640439857 YYEMPKXOLKONHO-UHFFFAOYSA-N 459.553 0.703 30 20 JCED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 1663301437 KRUJMIAQROWKRT-GOSISDBHSA-N 456.590 0.950 30 20 JCED Cc1nccnc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1707795001 RMJCGPXKBMIHPZ-QFBILLFUSA-N 464.527 0.394 30 20 JCED CC(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723090186 QEQKNNNQAMCJHY-UHFFFAOYSA-N 465.562 0.766 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(Cc4ccccn4)n3CCC(=O)N(C)C)CC2)c1C#N 1725868198 LSHSZBHPAVNPDL-UHFFFAOYSA-N 462.562 0.982 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)ccc12 1777713539 OQVYRUJMDCHKSB-HOYKHHGWSA-N 482.493 0.727 30 20 JCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)CC1 1777735474 IFKULEHHMIXOOZ-KBMIEXCESA-N 493.568 0.997 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777823663 UDNDRXSGRNMTHM-FZKQIMNGSA-N 451.434 0.152 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780168207 FXXKGNZTJLEORP-VFNWGFHPSA-N 464.544 0.338 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C1 1780674141 JIZUTNQTPYLLTE-HOOSLVGPSA-N 478.590 0.895 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1)[C@@H]1SC(=N)NC1=O 1781786917 MWBQOWAHKWXNBO-JKXTWKSPSA-N 455.540 0.999 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)C2 1782010805 FPGAMUMGTBVXDB-WZONZLPQSA-N 489.912 0.667 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195591 XTYKVGWREIKFLI-NRFANRHFSA-N 455.544 0.362 30 20 JCED CS(=O)(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1782720224 UZXZFHWBEJSXHU-DENIHFKCSA-N 463.556 0.886 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccc4n(C)c3=O)C[C@@H]21 1783530822 JQXFXEFIHCSRGT-TWRSVOCQSA-N 479.537 0.385 30 20 JCED CCc1nn(C)c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1Br 1783562312 LMXYQDHITZIDRC-GOSISDBHSA-N 453.293 0.277 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1783975953 RBNRZXAMYBAWGW-HXUWFJFHSA-N 452.433 0.999 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1)c1ccc(O)cc1 1784018027 DLKJTCFVQUGMOF-LJFZDNNRSA-N 457.527 0.782 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785331414 XJSICEJZMAUWIQ-JBFGMIDGSA-N 475.546 0.773 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CC1 1785344996 MCJYVOOLCSFNCQ-DEOSSOPVSA-N 460.575 0.782 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1785429975 OGQRWDCMCDBWQL-SBUREZEXSA-N 479.578 0.572 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1785518076 YVQBQNNEXIFDLA-QRQCRPRQSA-N 466.535 0.822 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1785559490 LHWANMGUTYEGNE-DEOSSOPVSA-N 455.559 0.837 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1785572272 LEDOOUPZQIWWDB-UZUQRXQVSA-N 464.563 0.648 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368579 QQCMVDLTFXVSQM-FJIDUMEYSA-N 493.561 0.685 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368819 QKFMRUDLMJLCER-QJEKIYCZSA-N 462.547 0.639 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786698743 WYOTWSCGROHSQY-VGWMRTNUSA-N 463.535 0.039 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](N)c3ccccn3)[C@H]2C1 1786872986 MWWNMPUWQCRUMI-JZTRKIHISA-N 485.585 0.978 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)n1ccccc1=O 1788658710 MROBXDYMNJPIEP-JXYQSDAOSA-N 460.531 0.918 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCN(C(C)=O)CC4)C[C@@H]32)c(C#N)c1 1789842105 VVLAUOGFDRZOPX-OYDLWJJNSA-N 497.596 0.253 30 20 JCED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CSCN4C(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)C1 1790696112 UHIFEZJYWRLAHC-HZZCBIDNSA-N 476.599 0.112 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCOCCOC)C[C@@H]21 1790879124 XKXHYRVCDJPJSR-FHWLQOOXSA-N 478.533 0.874 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1791103228 RDANACIEMXBEIJ-VJANTYMQSA-N 477.558 0.836 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]3C1)C2 1791264340 HDYBSWLSIWTOMG-IMPIEMTGSA-N 464.588 0.920 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOCCOC)C[C@@H]21 1792174594 IFFOLJSKOQCEES-ACRUOGEOSA-N 454.564 0.466 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1792279346 QQRQLNMTCOQZRJ-XSLAGTTESA-N 494.593 0.612 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)c(F)c1)C2 1793346781 MCVBIAJIBPONKF-AMVTXUCVSA-N 452.504 0.471 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077335 DNECAMGTGVIWHN-RDJCYWLUSA-N 456.565 0.152 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N 1796044915 GDXZIQCIELEXSS-YVSFHVDLSA-N 451.568 0.792 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O 1796319995 AZKDCJXPMODNKV-RZFLPCETSA-N 481.594 0.882 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796954965 HQWKQNIVJOFKSX-YVSFHVDLSA-N 485.545 0.797 30 20 JCED COc1cc(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/N3CCCCC3)CC2)ncn1 1797740184 ZESBDCTYPNAFRM-LIWPOLLESA-N 499.616 0.763 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O)NC(=O)OC(C)(C)C 1797969379 XWRZILQLHXHISS-XQPJFTJZSA-N 496.605 0.587 30 20 JCED Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c(C(F)(F)F)n1 1798107971 VHVLXOQHYZYENB-AGGWBTHJSA-N 456.469 0.924 30 20 JCED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)c1 1799281573 KETYHUSAXGQDJJ-REPLKXPHSA-N 460.556 0.549 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799885615 SHTRSVLRAJADJL-ATBAPAGJSA-N 455.471 0.254 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cc1 1800279662 XGFHOENOYVMIFB-IRJINJETSA-N 499.612 0.963 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1 1801349259 VJMXLSJUDBPLNE-AXVVYFOYSA-N 473.530 0.362 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cncn1 1801363220 JEKCZSJJXJKTAJ-FPVWDGRHSA-N 474.562 0.898 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2)NC(=O)OC(C)(C)C 1801930462 ITACLOBEIKWYIP-CLWJZODNSA-N 497.662 0.920 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1801989592 QWDYYBGZTJPRIL-VPTLXERWSA-N 454.443 0.332 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1801991714 IZGAGKHVNCRRTM-QTQLYOFPSA-N 466.538 0.928 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CNC(=O)c2cc(C)on2)[C@@H]1c1cccnc1 1802483573 SMYGSHQTZWLYFH-AWWPTUBISA-N 480.525 0.672 30 20 JCED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1806768457 KJGYDBWNMWJQKT-BBPQTIQZSA-N 452.533 0.661 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1807688292 XERDIVHVVUECAM-WKRCXCSHSA-N 486.525 0.546 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)[C@H](O)N1CCOCC1 1810353012 CWFUUCJCPJIWOB-XHTIQJDGSA-N 455.515 0.450 30 20 JCED N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810357411 PVZQELOBMXWDSA-FGVDKIOXSA-N 457.535 0.456 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810360445 JCSQQJLORSTKNF-HBVPFEPVSA-N 475.546 0.267 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=N/N4CCCCC4)sc3C2)CC1 1819777229 TVRBNQAIXSOZGY-DMGPTTAYSA-N 475.619 0.691 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H](NC)C(=O)O)CCN2C(=O)OCc1ccccc1 1828990824 WHZDAHVTQDPYDG-NBGIEHNGSA-N 484.553 0.915 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(=O)cco3)C2)C1 1829332366 IKWGNFDARSYBLP-VWLOTQADSA-N 493.472 0.794 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460570 RCUGERJWIBXGFO-MHECFPHRSA-N 456.543 0.814 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)n1cnnn1 1830472202 FSFDBHAXSQAXAO-HRAATJIYSA-N 458.906 0.396 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCC(=O)Nc1ccccc1)CCO2 1830673198 XBQCMWPEWSISOP-HSZRJFAPSA-N 457.483 0.340 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1830882788 XFUXLXRCYWKVNU-MBSDFSHPSA-N 465.547 0.492 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1831419826 QVAVFOQLJBPTHT-HOIFWPIMSA-N 455.552 0.947 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1831420196 UIXQNXDFISPKGG-WBMJQRKESA-N 456.389 0.389 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1832458750 ZGKLZTSBMDAJFJ-OXJNMPFZSA-N 459.565 0.205 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2cncnc2)CCO3)ccc1F 1833125180 PMZZSTHMMWXURC-HSZRJFAPSA-N 453.474 0.729 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1833239308 IIJIYIIIDLXHPU-VWLOTQADSA-N 489.016 0.914 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833466484 GXFBJOMPKRLSCX-NQIIRXRSSA-N 494.633 0.872 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756360 UWAUELMLDFXGSX-DVECYGJZSA-N 487.557 0.887 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)C(=O)O 1835752180 ONZICGOXCCIVAF-AVRDEDQJSA-N 463.918 0.211 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CN)c1ccccc1)CCO2 1835817520 FZCSFGVVFTZGOV-HYBUGGRVSA-N 459.543 0.695 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)CC3)CC2)c1 1836169769 YAIKQOMVOHQVGA-UHFFFAOYSA-N 463.502 0.116 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837293274 UIIJPKMBBNVZOL-QPPBQGQZSA-N 485.541 0.459 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)c2c1 1837446344 JCFMCXUWDPEXFD-DXPRYJPLSA-N 479.541 0.976 30 20 JCED CN1CCC(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837524731 GULFBZLAPUXLRU-OCNXCNKESA-N 466.579 0.704 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837728138 URWQJOKKPHUQAM-QPPBQGQZSA-N 472.542 0.098 30 20 JCED CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)COc3ccccc3C#N)CC2)CC1)C(=O)O 1837887936 QIKCAJFVRPJIAS-HXUWFJFHSA-N 472.542 0.998 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838325023 YVGKOZBNOKTDRU-QVKFZJNVSA-N 463.491 0.056 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5ncccc45)C3)C2)c1 1838581775 OWUGNISFECBDRW-XMMPIXPASA-N 476.493 0.993 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839139317 ZJWVFFMQFJYJDH-QFIPXVFZSA-N 466.535 0.288 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839163730 PTQMNYNFFGDQAD-XLNZFTOWSA-N 494.589 0.274 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839420943 OFMUQXPABQSLEJ-NRFANRHFSA-N 463.535 0.251 30 20 JCED Cc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)c(=O)[nH]c1C 1839487762 WEMKDMKLPJMOPM-XMMPIXPASA-N 491.508 0.519 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1839651255 UHGBMVVKIGDSBV-XMMPIXPASA-N 472.542 0.270 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1839761451 KBBWYTBNQJGBJA-YGOAVPTMSA-N 467.519 0.315 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C2)C1 1839808478 SQCMYAVQVKYBMY-HXOBKFHXSA-N 467.563 0.784 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3C(F)(F)F)C2)C1 1840041591 WDVVBXIJFNJENJ-FQEVSTJZSA-N 454.401 0.792 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1)c1ccc(O)cc1 1840221820 MENQWWTZSNZSLJ-DZRGJMJISA-N 487.553 0.408 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1840294816 NEKLIUXMDZOBTO-CYFREDJKSA-N 456.543 0.850 30 20 JCED C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840426094 MTRCBOQOVIHRKV-CBWPXHNPSA-N 459.547 0.777 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840783554 NFWYNKDLLUKHNH-QHCPKHFHSA-N 464.490 0.897 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820287 IEMRDPZOMNRISO-SBUREZEXSA-N 475.498 0.955 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccno3)C2)C1 1840907444 VHTUAAQSJGVDKR-ZHRRBRCNSA-N 462.503 0.661 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)C(C)(C)O 1840916458 JKZNAJOYARZHLH-IERDGZPVSA-N 454.524 0.021 30 20 JCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1846372148 KZPJZYDSQUPYOY-ZIAGYGMSSA-N 457.597 0.850 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@](C)(O)CC(=O)O)C1 1846383632 OQLPVPYHRQCCSH-VFNWGFHPSA-N 451.520 0.722 30 20 JCED N#Cc1c(CCCNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)nn(-c2ccccc2)c1N 514417092 KXSUTLSENULRNW-UHFFFAOYSA-N 456.470 0.989 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 515946988 USSPRVMAQSHWAE-UHFFFAOYSA-N 462.510 0.642 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 518485337 IZBNDVPBKCYEQD-UHFFFAOYSA-N 459.488 0.672 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592992816 DCBVXMMMEBIWDZ-UHFFFAOYSA-N 468.514 0.401 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O 608911076 IDDOASARCRYQBV-UHFFFAOYSA-N 468.457 0.569 30 20 JCED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O 609074404 KXGLUNSVPIMHNN-UHFFFAOYSA-N 458.421 0.954 30 20 JCED N#Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)C2=O)cc1 609121590 FLQUTODTQLPACO-IBGZPJMESA-N 482.518 0.968 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)C1=O 726043478 UZORAFXSELYOCD-INIZCTEOSA-N 459.455 0.887 30 20 JCED CCc1ccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cnn(C)c3)c2=O)cc1 839250008 DIFCGILCTZPSQZ-UHFFFAOYSA-N 451.552 0.851 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCOC[C@@H]2CCCO2)CC1 915542166 IEGWBMYMEIIQCV-SFHVURJKSA-N 465.528 0.520 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)C[C@H](C)O1 918436007 QGXDPMSRJMQUIZ-HOTGVXAUSA-N 465.532 0.026 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCC4(CC3)OCCO4)CC2)cc1 918912899 GLJUIDRCVKMJIE-UHFFFAOYSA-N 477.539 0.868 30 20 JCED COc1cccc(NC(=O)CN(C)C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c1 1166221293 NFXRXPSJTBLBGJ-UHFFFAOYSA-N 453.499 0.658 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)CN1CCOCC1 1288705145 JTDDEGNQHFJRLL-SJORKVTESA-N 453.613 0.987 30 20 JCED CCN1CCC(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1296024722 HGHOFXAJUNEDKG-RBUKOAKNSA-N 481.623 0.462 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 1298268196 RSBPBZNMFAPEDQ-CQSZACIVSA-N 450.542 0.792 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(C)(=O)=O 1298285766 KRPGATMHCIXKHK-KRWDZBQOSA-N 482.588 0.164 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1303836380 KYBUVGBZCCRPDY-YJBOKZPZSA-N 457.576 0.566 30 20 JCED CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1315043484 WCUVJQIWIUQZJC-UHFFFAOYSA-N 454.510 0.988 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ccc(F)c(F)c2)C1 1505138066 MSQOCDIOPXMMOT-MAUKXSAKSA-N 498.512 0.697 30 20 JCED CSC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519685251 UWQXFKDCKHFZOS-IAGOWNOFSA-N 483.664 0.929 30 20 JCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)CC1 1596183632 JDVVAEGDDCHFRL-UHFFFAOYSA-N 489.627 0.864 30 20 JCED CNC(=O)c1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1618610725 IJINFIOYLLBCDV-MSOLQXFVSA-N 458.544 0.511 30 20 JCED COc1cc2c(cc1S(=O)(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)OCC(=O)N2 1668977862 SIUDYUKRNNFJGP-OAHLLOKOSA-N 456.480 0.977 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1693953762 ZRPXKPZALPUZSC-SAKMYQHLSA-N 458.560 0.850 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1695935263 ZLDZSTJPPVLCGE-UHFFFAOYSA-N 466.590 0.797 30 20 JCED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1764563738 UUTBHPRLKGPQNT-UHFFFAOYSA-N 480.573 0.324 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778116828 HOQJYXPEGVDSOM-DYESRHJHSA-N 457.593 0.061 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1779331583 YRUWUZHEGKWGDJ-MNFWLRKXSA-N 483.606 0.959 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1779471854 VRXISLDTHDFXQM-KBDRKHKJSA-N 485.589 0.581 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)ccc1F 1779876746 KYKMDQNTEITGBE-QFIPXVFZSA-N 452.446 0.272 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)c1 1780168899 VNCVPZSAFVIYEC-QFIPXVFZSA-N 451.439 0.812 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4C[C@H](O)CN4)CCO3)C2)CC1 1781170037 LHDKEYSIVVZVJG-LLJLJFOGSA-N 491.589 0.080 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(Br)cn1)C2 1782011072 LEBYHDCQPMKZKF-OXQOHEQNSA-N 464.316 0.989 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)[S@@](=O)c3ccccc3)C2)C1 1782678684 PGLUCAJWYVWUJJ-BFZUGEBRSA-N 459.568 0.871 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)Cn5cccc([N+](=O)[O-])c5=O)C4)C3)c2c1 1782786609 AZHINJWNYCFTNQ-QHCPKHFHSA-N 491.464 0.648 30 20 JCED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1)C(=O)O 1783131740 GPMDHVLHQYKYOE-GEQKSPFYSA-N 458.515 0.514 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1783180167 SSEDCYKBGSWBHX-OULKIGNDSA-N 464.563 0.810 30 20 JCED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1783540279 VABUEEXDIVHPQN-FHWLQOOXSA-N 455.621 0.689 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)O2)C1 1783555995 MOTCDWDCQSVEHN-OPAMFIHVSA-N 477.514 0.073 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2)C1 1783769169 XXMGFJIOZPPZKJ-QZMQVMSPSA-N 464.563 0.976 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4C(=O)C=CC4=O)C[C@@H]32)c1 1783913414 XKPPDZDSEIMMQO-ACRUOGEOSA-N 464.522 0.786 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784535038 LKYAKAYUOSQVQN-WOYTXXSLSA-N 459.609 0.806 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1784803339 HUXNXNZHCAAWQU-AUHSXMTCSA-N 471.535 0.782 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785541426 UIRFPPJARARVRW-VYCHDQKOSA-N 470.573 0.206 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C(=O)O)ncn4)[C@H]3C2)c(C#N)c1 1785645491 VGRMWLYIVKVVTJ-XERREHJYSA-N 479.493 0.891 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1)C(C)(C)O 1786698800 ZFWLDYRGKBQKCK-LUKYLMHMSA-N 464.563 0.934 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C[C@@H]43)ccc21 1787962180 SMCGJMMFWPBKGE-GTPDTVSMSA-N 499.568 0.999 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)[C@H]2C1 1789134908 SPCBCTGCCIZTMR-BXWFABGCSA-N 485.566 0.834 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)[C@H]1CC[C@H]2CCC(=O)N2C1 1789769722 QCCNENVURTYIGV-RVCQPPLSSA-N 459.591 0.839 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1789890721 IGZUCAMRQMGFKW-BQFCYCMXSA-N 469.498 0.192 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790580170 RHHAZTOQUCQPAQ-VJANTYMQSA-N 489.573 0.692 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1791124414 WPKBBVDBJCUSMX-ILNCAHHFSA-N 493.601 0.765 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncn3C)C[C@@H]21 1792261202 BRVPRHUQFNUACE-DWRORGKVSA-N 459.547 0.930 30 20 JCED CN1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793826846 VZQCZTPMLJEXDC-CIAFKFPVSA-N 453.587 0.915 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794113325 PPAHWPTWJXCTFX-GNNCWXLZSA-N 460.531 0.155 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O)c1ccc(O)cc1 1795644672 NZKDTWRCYSUOAV-UGLIKIROSA-N 457.527 0.542 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O 1797310358 ZBIIFHNOLQBVKW-FWBPUNABSA-N 493.601 0.622 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C2 1797712457 JAIMIEXYLVYVHZ-RCLSDMTESA-N 494.633 0.702 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1799222282 XOTQJLGBKXHJKW-RCJHGTSTSA-N 465.551 0.251 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)NC)C2 1799331973 GWLXSYRPMIAYHM-VQQMMKBISA-N 472.542 0.583 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 1799391265 KUZJGJZSAQRCPK-REGYPHIPSA-N 457.531 0.881 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C1)C2 1800455670 MGVPJCCZPCWKHV-HGKCTWBKSA-N 460.531 0.755 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1noc3ccc(Br)cc13)C2 1800779045 NNKUIUYPZANGFO-YQYWCBKUSA-N 462.256 0.882 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1800997209 UURIIXQGKSRZQG-UKBAYJJMSA-N 465.547 0.836 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)COCCOCCOCCOC)[C@@H]1c1cccnc1 1803553436 RDROIIKNUJHNPB-JCTONOIOSA-N 491.585 0.822 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807354700 ROGLCKISAKTCJH-SEXRITCMSA-N 494.512 0.661 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809669796 XGICUTKIQQSGIP-GIWBLDEGSA-N 471.602 0.825 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1810337907 PFVOMDVCHPBOMO-HKBOAZHASA-N 487.557 0.864 30 20 JCED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1812583809 AUNQJWFIKJAPHJ-HQRMLTQVSA-N 493.568 0.747 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)ccc21 1812877628 NWMJHFFPRRHPPY-JTSKRJEESA-N 461.478 0.680 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1819773887 BNUJMDRMPHHJSO-ZXCVBSDHSA-N 470.559 0.781 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNCP(=O)(O)O)CC2 1828029890 OCMKFXBFXPIRKJ-ZDUSSCGKSA-N 479.455 0.731 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=N)N)C2)C1 1828584610 JXRGYONAWDBBOD-MHECFPHRSA-N 486.573 0.513 30 20 JCED CN[C@@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1)C(=O)O 1828990937 ZZQMCCOIQICOMN-LVXARBLLSA-N 496.564 0.915 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCN2C(=O)OCc1ccccc1 1829246874 HTEJAXTUXWGYNU-JPYJTQIMSA-N 450.499 0.924 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4O)C3)C2)C1 1829671133 UDFLCUIZSIJVOQ-XLNZFTOWSA-N 479.574 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1829762961 VDNOOJTWBVIUGY-GQKSHLLRSA-N 492.573 0.311 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1C 1830952823 DGLATWSBFJVZSU-BHJOUFRFSA-N 463.535 0.256 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)[C@H](F)C1 1831135621 HSTYPUBMNUHGNF-DRSNIGMVSA-N 468.526 0.952 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1831219398 YGUCTTUFXAALRF-QFIPXVFZSA-N 453.455 0.955 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832078814 ODZLYIBDDGQYCC-SBUREZEXSA-N 479.530 0.320 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cncc(C)c1)CCO2 1832952542 HBVVPYLSLHJNIP-ZKWSMMDQSA-N 456.543 0.637 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833396422 IATXQXYWZSUPQA-IERDGZPVSA-N 467.544 0.146 30 20 JCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c(F)c1 1833631885 FWBXGFLLNFOGNR-DEOSSOPVSA-N 475.517 0.998 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835352435 ZMNZRYYKWATKLJ-JTSKRJEESA-N 464.519 0.325 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835686995 ULHTYUDLLRIAOW-FDDCHVKYSA-N 458.563 0.620 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1835714092 WTPDNFUXIFUPLE-MSOLQXFVSA-N 454.568 0.196 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1835732664 VDBDIDQRZBCIJI-VULFUBBASA-N 474.528 0.708 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC)CCO2 1835919417 SXDDVHVIMLOIML-IEGUWTFLSA-N 466.579 0.357 30 20 JCED C[C@@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836321950 RPBURMQXRPBNEX-ORAYPTAESA-N 455.437 0.637 30 20 JCED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)cc1 1837117297 ZLPNBWJRSWAZHA-LJQANCHMSA-N 453.499 0.769 30 20 JCED NC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1ccccc1 1837442397 WXNCMRGVKSIXTN-VJPTWTESSA-N 457.575 0.657 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)s1 1837442551 ZGEFPFSKAGEQKF-JLDPKJTDSA-N 450.565 0.317 30 20 JCED O=C(C/N=C/c1ccco1)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1838409338 JJWBNFTXTANXSU-AFUMVMLFSA-N 455.515 0.954 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1Cl 1838598500 MBMRHABQKUWTMB-NRFANRHFSA-N 457.874 0.679 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)c1ccc(F)cc1 1838738758 ATBDQXKQIJBKPI-URXFXBBRSA-N 483.500 0.973 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1839175047 LYJWVGKKSBQQHF-QHCPKHFHSA-N 460.531 0.727 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839422473 WJJWVQLMUDEUPG-YADHBBJMSA-N 463.462 0.383 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)C(=O)CC3)CCO2 1839527500 KOAZQTHTYOGYBR-UTBBOMKLSA-N 467.522 0.744 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1839716739 ZNKHICBIJBACNE-DEOSSOPVSA-N 472.542 0.852 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(NC(=O)OC(C)(C)C)(C1)C3)CCO2 1840003322 KGRRQVPWNYDEQL-JFAQQGEVSA-N 491.585 0.929 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1840293851 YLUPKTDDGGXNTM-UGKGYDQZSA-N 452.504 0.131 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)cc1C#N 1840551710 KIZMHTDEHBXFCV-QHCPKHFHSA-N 493.582 0.850 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840795521 MYCFTQRGSUWYKA-MBSDFSHPSA-N 482.578 0.438 30 20 JCED Cc1noc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840819189 VJMDGQWXEGRMKO-JOCHJYFZSA-N 455.471 0.328 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1840912149 ASIFWVJMQMVOCR-YHFSLCLQSA-N 467.563 0.683 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1841053207 YFZRVPUEUDAWAQ-PTZVLDCSSA-N 450.536 0.324 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843085256 UWRKRHGCBXYXIH-LJQANCHMSA-N 494.556 0.884 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](COC)NC(C)=O)C2)N(C(=O)OC(C)(C)C)C1 1844387611 RKEADFPXEMJNQN-MSOLQXFVSA-N 464.563 0.907 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1845230686 VKCNZWWGXRSJAF-ZZQPOVDQSA-N 451.568 0.937 30 20 JCED COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 105644187 QRCSGKFGFARAQB-UHFFFAOYSA-N 464.525 0.503 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCSc2ccccc2)c1=O 502054226 CCRKNCZEDARZHF-UHFFFAOYSA-N 481.603 0.797 30 20 JCED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 502302857 ODSJUHSJPRFGEW-UHFFFAOYSA-N 457.397 0.907 30 20 JCED CCN1CCN(C(=O)CC2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 520871099 WZTHBFPXMYQGJP-UHFFFAOYSA-N 475.615 0.972 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccnc3ccccc23)c1=O 520914656 UCEMEVLGNBRIHD-UHFFFAOYSA-N 477.590 0.819 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 603794242 AYIIRVHGVRYFOI-UHFFFAOYSA-N 455.540 0.895 30 20 JCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604435265 QVEIASXDAHWQPY-UHFFFAOYSA-N 471.491 0.480 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604523206 WYKJBKMHYREWFH-UHFFFAOYSA-N 498.517 0.550 30 20 JCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 619105328 VUKVRKXVUFWFOL-LJQANCHMSA-N 491.595 0.384 30 20 JCED CCOc1ccc(OCC)c(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cnn(C)c3)c2=O)c1 726962646 RTUHTQOFUIQMBO-UHFFFAOYSA-N 497.577 0.696 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)NC(=O)c3n[nH]c4ccccc34)CC2)o1 728366790 CQMBMHRJWKPFDS-CYBMUJFWSA-N 465.470 0.741 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCS(C)(=O)=O 729672838 KUEBOPYLTDFLRG-UHFFFAOYSA-N 491.635 0.734 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(Cl)cc2)c1=O 729674452 HOWWASYPLSSLBL-UHFFFAOYSA-N 465.984 0.733 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCS(C)(=O)=O 729674851 PCJWNEKITIQTDS-UHFFFAOYSA-N 453.973 0.637 30 20 JCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC2CC2)C1=O 730945289 PHCOIXBOWUAYCJ-UFIXSJTLSA-N 454.574 0.697 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(C)ccc1F 744121874 NZYSZPZWTJWGQK-CQSZACIVSA-N 455.515 0.734 30 20 JCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 916938858 OFCVHIUSYUVPDL-LBPRGKRZSA-N 458.862 0.833 30 20 JCED COc1ccc(CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H]2CCS(=O)(=O)C2)cc1 917370441 PNPUAQXDQIZCLU-INIZCTEOSA-N 477.564 0.950 30 20 JCED CN(C)C(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918299696 JEDDOABJRVQJPG-NKFKGCMQSA-N 463.560 0.765 30 20 JCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1299238024 ZEKABOXMPNZXRS-SFHVURJKSA-N 457.560 0.957 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC12CCOCC2 1301808607 GMVUPVRXYYJHGP-MSOLQXFVSA-N 482.607 0.794 30 20 JCED CS(=O)(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302500343 WMRMBODYXJHHAY-CQSZACIVSA-N 483.396 0.761 30 20 JCED Cc1ccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1F 1304267549 STGUXLGGLJAAFQ-IAGOWNOFSA-N 476.534 0.787 30 20 JCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1359150442 YMQBTTRAUGLXMG-HUUCEWRRSA-N 460.988 0.859 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1503840520 YCYCLRBOLOBQEB-CALCHBBNSA-N 450.521 0.128 30 20 JCED N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)cn1 1633929664 KLHSIWLXLVPRQQ-UHFFFAOYSA-N 454.512 0.036 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1706870775 IGEJBSIAUXRGQI-QVKFZJNVSA-N 493.565 0.846 30 20 JCED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)ccc1F 1707296733 TZOCSLFCZJGTLX-WMZOPIPTSA-N 464.523 0.836 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1723956239 LFDROKXVJRLOSM-HOTGVXAUSA-N 453.569 0.410 30 20 JCED CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1768255084 OURHLRAJPPEOGO-MRXNPFEDSA-N 477.616 0.881 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1768267714 IBUHUFIURWDBIE-SJORKVTESA-N 464.596 0.077 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1769380280 OEJHBPKVVUTMTM-IERDGZPVSA-N 476.559 0.662 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCCO3)C2)C1 1778077420 FOTVSKQQSNGCNH-IECBHUPTSA-N 479.574 0.881 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778275964 MGFIXEAYPHOMGL-JLRUASKGSA-N 455.555 0.756 30 20 JCED O=C(NCCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccc[nH]1 1779099448 HJQKONODZOTNPN-NMUQBYKOSA-N 461.519 0.494 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1779105281 BXXFKFHGKDPKER-OGDVTRPRSA-N 460.466 0.841 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1779237918 VSKSMOYSEIWDQB-ODMQBNIASA-N 475.546 0.646 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C3)C2)CCC1 1780199928 BKHONDQRKQQZAF-JOCHJYFZSA-N 452.471 0.816 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)ccc1F 1780756453 ATRAKZZAFACYSB-WZONZLPQSA-N 494.487 0.194 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@@H]3CNC(=O)O3)C4)c2c1 1781206546 VSHPIJHBSARLFF-GSHUGGBRSA-N 452.471 0.670 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781380639 QJBJAEWLEDELQY-XMMPIXPASA-N 498.621 0.184 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)[C@@H](F)C1 1784340283 UUWIHHIWKZBXPR-ADHGMGHFSA-N 481.521 0.649 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C[C@@H]21 1784481207 KCRQQCTVBUWBAY-SPOLIRPYSA-N 495.573 0.461 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C[C@@H]21 1784486746 MWRFYNWIFJUNRL-VYJAJWGXSA-N 479.574 0.640 30 20 JCED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21)C(=O)O 1786896132 GREAHXKSGSWSRP-KSYCFECVSA-N 483.447 0.628 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788814849 BKXVTSWNHLNXMH-MPTYRVRUSA-N 490.517 0.828 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(N5CCN(C)CC5)CC4)C[C@@H]32)c(C#N)c1 1789841497 RFTHLFJFJOBONO-OYDLWJJNSA-N 495.624 0.869 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H]5CCNC(=O)C5)C[C@@H]43)c2c1 1790330615 LPMCALPFEQITRC-MRHSLFKSSA-N 450.499 0.554 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCOCCOCCOC)C2 1792569951 UPBGLZPVHRDGBI-LZYMFGRRSA-N 467.563 0.179 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792582576 ACCYVOXZYKMUER-UNJWAJPSSA-N 490.601 0.799 30 20 JCED CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1792772920 OGKOKOGNEZHMOO-VQQMMKBISA-N 471.510 0.759 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(c2ccccc2)=NO1 1793277206 NFENPKMRCGTODT-MJRBERDRSA-N 452.511 0.628 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C1(C#N)CC1)C2 1795413154 SPYHOSNXPQFUKZ-CUSZFKRNSA-N 455.515 0.516 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cnnc2)cc1 1795493233 UIFGWMKDUXYRIZ-OPVJXMOQSA-N 451.531 0.752 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)c1ccc(C)cc1)C2 1797708302 PSVMMHNVXOZXKG-SHJAMOMRSA-N 464.584 0.931 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1797838093 LMAZGSOIZQHEHV-DPSJITPRSA-N 450.455 0.005 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](COC)NC(C)=O 1798642716 NJLQYULDJFEJES-XCDZQEORSA-N 464.563 0.692 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 1799332887 CNVLQUDZXUTIPJ-INOFNZCTSA-N 481.590 0.833 30 20 JCED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779725 UGRGDVJOYMLNRN-KSPBDQMDSA-N 469.903 0.003 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@H](C)NC(=O)c2cnccn2)[C@H]1c1cccnc1 1803548092 HCTYANIAAULBBN-DIJFTKHXSA-N 464.526 0.734 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804198675 QCYMSJZWZARFAB-UGKGYDQZSA-N 492.598 0.327 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cnc2c1 1812877496 MHPGYJGXBHBMKI-JTSKRJEESA-N 459.462 0.806 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)c1 1816673584 JEWSMLRSKMOGFH-LBPRGKRZSA-N 491.493 0.689 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nccnc1C(N)=O)CC2 1822926003 DQPHVUMLZSJNSX-NSHDSACASA-N 458.500 0.767 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)CC1 1825661026 FNTUPEASTJYMNT-CYBMUJFWSA-N 492.554 0.905 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1829267119 RJHBVGZVJZRKAC-YKSBVNFPSA-N 470.526 0.223 30 20 JCED C=C(C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1)C(F)(F)F 1829313738 QUBFOLIMRNQATD-FQEVSTJZSA-N 471.432 0.868 30 20 JCED Cn1nc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)cc1O 1829330848 SNFGKILTMSOAHT-DEOSSOPVSA-N 495.492 0.279 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCN2C(=O)OCc1ccccc1 1829373366 XEZCBEGOEVRTSS-VWLOTQADSA-N 493.520 0.667 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1829466961 VLRWNURXAKAROB-DEOSSOPVSA-N 454.527 0.988 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829472159 URDNQOFTJVQHEL-HSZRJFAPSA-N 470.530 0.657 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)nc5sccn45)C3)C2)cc1 1829904005 KBIPBZXYYLGWOM-XMMPIXPASA-N 493.545 0.940 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904665 RRVFJDVERKVNPF-ZJSXRUAMSA-N 487.509 0.052 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1831133253 UKKAJCYNLOWAIP-HSZRJFAPSA-N 482.578 0.924 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1831420793 ZZXQJXXLSWMTLB-NKOIWJIPSA-N 471.554 0.907 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831425952 XVSXQHYLRAQFKH-YDIMBITNSA-N 497.589 0.670 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(F)nc1)CCO2 1832831615 YTMKKTSGYKLPGI-SJEJWHSFSA-N 460.506 0.468 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)ccc1F 1832878027 UCOJCCMIDYCMIT-VWLOTQADSA-N 497.527 0.844 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1833075318 JUVCACNNPUUYAA-PRPIBZDOSA-N 474.650 0.052 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)cc1 1833498063 VHOKNLVBYVVTJK-QFIPXVFZSA-N 451.439 0.430 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834635659 KRZAONAEBVBYMN-IBGZPJMESA-N 477.606 0.563 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4Cc5ccccc5C4=O)C3)C2)CC1 1835342159 RUJWTQOSYBCRGX-XMMPIXPASA-N 452.511 0.793 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)c1cc2n(n1)CCCNC2=O 1835515161 BIQKYNIDISXFTA-WGOQTCKBSA-N 495.584 0.914 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1n[nH]cc1[N+](=O)[O-] 1835868336 CGCNPEMDBIBXDU-HZHRSRAPSA-N 460.539 0.975 30 20 JCED N#Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)cc1 1836287884 SFSHETOKLKJVOR-LJQANCHMSA-N 452.515 0.342 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1)n1cncn1 1836520611 OCZJQNKEKNUUEK-HNDWEXJHSA-N 459.528 0.796 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836684428 AIXNBLNGZGWERY-BVAGGSTKSA-N 467.566 0.757 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CC(=O)N3)CCO2 1836784477 JGGXTTMZTQZPSA-XLQQFJOYSA-N 468.510 0.110 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836847868 ATEYBFGIKRUEIR-YQNSVDCASA-N 455.519 0.271 30 20 JCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1836863508 DJRPAFOWRFMMOD-QHCPKHFHSA-N 453.580 0.618 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837015468 BVVNSPJYCYISII-DBNSOCDESA-N 452.471 0.511 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447397 MSULKZULTKXQRP-YCBLCKBMSA-N 451.568 0.219 30 20 JCED N[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1cccnc1 1837562341 JXPZAJJQXJJQJR-MUTNTLGBSA-N 455.515 0.640 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837656038 LRQPTWGPYVYMAL-XMMPIXPASA-N 476.574 0.726 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838111748 MZNGMALZLNKWOJ-UHFFFAOYSA-N 466.494 0.866 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838405746 OWZLQBDZRZYWTQ-PYNCTGKJSA-N 488.545 0.717 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4ccccc4=O)C3)C2)c(C#N)c1 1839132651 LCPZCRKHFUILKZ-BCHFMIIMSA-N 494.548 0.989 30 20 JCED Cc1cnn(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)c1 1839186531 ZPRRPXONKOCXAR-HSZRJFAPSA-N 455.490 0.901 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1839204081 GOLXVYLGKGVERC-FOIQADDNSA-N 495.495 0.837 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840077261 JQEXENMMSVWALP-RUZDIDTESA-N 496.601 0.211 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840453127 DMUZEUSWOYQOOZ-POSBYCEFSA-N 476.530 0.834 30 20 JCED O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccccc1 1840800529 UALGENBIEINQMT-HHHXNRCGSA-N 497.592 0.962 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CC1 1840806217 NHXGQOYZHYAAHJ-XMMPIXPASA-N 491.589 0.299 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)c1 1840896454 APXXLHFRXXZLOQ-OAQYLSRUSA-N 474.564 0.489 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1840906681 GTXVGMSKRGTXAH-YDIMBITNSA-N 494.589 0.274 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1840906967 NBVYVKXCWUTQIX-XDHUDOTRSA-N 488.541 0.774 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(C(=O)OC)cc3)CCO2)C1 1840958704 VTJIVCHWHMUTJJ-NLFFAJNJSA-N 490.553 0.882 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(C)=O)CC2)C1 1843975285 WPULIGDSPDFNGR-IBGZPJMESA-N 475.590 0.271 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c1 1844725789 KKFUONNFNKINRP-UHFFFAOYSA-N 455.496 0.849 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1847074586 YVNIRDZROUZZNH-AWEZNQCLSA-N 480.612 0.967 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C 1847804500 GXOUHRAZYPFTBO-XWSJACJDSA-N 492.621 0.773 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1847828032 BFRAINXDVMTXGH-NBFUAULTSA-N 454.618 0.323 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(N)(=O)=O)s3)CC2)cc1 32766861 AFGNIWYYRDTURR-UHFFFAOYSA-N 454.555 0.343 30 20 JCED CCN(CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 515990738 DHUIJSUJYVLCDV-UHFFFAOYSA-N 456.590 0.747 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(=O)N(C)C 604269097 PWOJOSVKJKUBBI-UHFFFAOYSA-N 464.494 0.629 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(OCc3cccc(F)c3)cc2)c(=O)n1CC(N)=O 608911155 NKRKWGUVFXVDRI-UHFFFAOYSA-N 492.532 0.895 30 20 JCED C#Cc1cccc(N(CC(=O)NC)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c1 727091098 HUYXDYCCWLHPGH-UHFFFAOYSA-N 457.288 0.653 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3F)c(=O)n2CCOC)CC1 730804256 ZEGLHUWJGUCPGS-UHFFFAOYSA-N 462.522 0.502 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2c(F)cccc2Cl)c1=O 916198217 GMWHQKQTTHBOIK-UHFFFAOYSA-N 494.976 0.300 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CCOC 917770243 IXDZMMYTLFBYML-UHFFFAOYSA-N 465.959 0.874 30 20 JCED CCN(CC)CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 1446308162 IKFWABPZCUGORX-IBGZPJMESA-N 455.602 0.831 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[S@@](=O)C(C)(C)C 1510218243 MPJYFXMYYQYCLN-HLTMLNHKSA-N 471.653 0.612 30 20 JCED C[C@@H]1CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)C[C@@H](C)O1 1545098904 OBRSLSFWLHMQNH-MKXGPGLRSA-N 483.639 0.849 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)cc1 1660288897 RUXQXMQIAFONTE-OAHLLOKOSA-N 458.562 0.648 30 20 JCED CN(C)C(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1710971705 PHOSTFKVPJQBOW-JKSUJKDBSA-N 450.565 0.558 30 20 JCED C[C@H]1CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 1743341298 SWBHXKRFYXKFSK-TWFHAPMSSA-N 499.613 0.552 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCOC2)c1 1766940048 GCODJALOXNZRJM-JXFKEZNVSA-N 462.532 0.076 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1778181467 GNDQFQZBTPSTLP-CNXHMKESSA-N 466.538 0.721 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1779104506 ARGDRNPDFFZJLA-IVAIKLPVSA-N 450.414 0.024 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1781165331 JHDMBZVCPDHXMC-QMHKHESXSA-N 475.546 0.389 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)Cn3ccncc3=O)C2)c(C#N)c1 1781486325 CNLDVXDVLLBAJU-PXDATVDWSA-N 479.537 0.880 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)c1 1782056728 GKCOBGNDGAGXKA-XMMPIXPASA-N 462.510 0.954 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2 1783135263 WVTVVEAJZWXUCN-JCTONOIOSA-N 472.542 0.102 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCO[C@]4(CCN(C(=O)[C@H](C)S)C4)C3)CC2)CC1 1783894032 PHNRVWSNWQTLHD-SBUREZEXSA-N 466.648 0.858 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1784315158 USLBAEJMIKBCSL-SBUREZEXSA-N 472.546 0.979 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1784519851 JESKSGXIANXVQG-QQDKQVRDSA-N 465.547 0.900 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784747744 LPUSPMBDBLNCEZ-NPFVIJTESA-N 485.603 0.720 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785245038 XCBMDKVNUZIOIR-DEOSSOPVSA-N 487.578 0.564 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2)NC(=O)OC(C)(C)C 1785304051 UZENFUPIGPQJET-HRAATJIYSA-N 473.592 0.720 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)C1 1786702666 GELORQBOWYBGJP-QTMHVTGLSA-N 464.563 0.888 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787506035 YQFGAALTZRPEBX-XSLAGTTESA-N 458.581 0.193 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(C#N)c[nH]5)[C@H]4C3)ccc21 1789344813 HJZVZNLBTDKLOP-FIKGOQFSSA-N 462.510 0.984 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4ncnn4c3)[C@H]2C1 1789717398 RTPIMKGDYMXSOP-FHWLQOOXSA-N 453.547 0.533 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C[C@@H]21 1791263738 LINPKSBVAIYDEI-DQKQSUEQSA-N 457.593 0.968 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1791287516 SQSUDEPDCPKRDN-JCGQYXLISA-N 461.490 0.835 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1792257720 KLRUYIQWAQCYJH-AVEIZBFRSA-N 462.547 0.161 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261499 OZNFKQUERIUMIP-NYUBLWNDSA-N 477.558 0.836 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(S(=O)(=O)CC)cc1)C2 1793347405 CVZQARSCPCQQIY-UYZIEWPDSA-N 462.568 0.651 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)CO2)C1 1795420585 KLPWZVDPDYSRJD-VXIBKDFQSA-N 462.547 0.906 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795583354 ZLZDLJJCHVQYLE-ZHCJQAHYSA-N 458.625 0.773 30 20 JCED Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c1C(F)(F)F 1796603067 BBODOFYXVSNOMK-BTTYYORXSA-N 456.469 0.924 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCN(C)CC2)N(C(=O)OC(C)(C)C)C1 1797238280 LTAQIOPWCQZJRY-IIZPIQPGSA-N 491.633 0.389 30 20 JCED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)nc2nccn12 1797783793 KVLWNLZPSJFKQV-RMFSNUHRSA-N 451.527 0.940 30 20 JCED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799239941 PRCZBTUYGYKNGQ-UPHUGPLXSA-N 459.572 0.183 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)O[C@H]2C1 1801993292 OAOMIPCPVNHAOH-PNVOZDDCSA-N 461.515 0.737 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)Cc2cscn2)[C@H]1c1cccnc1 1802482615 MITBJVPNCPQXLS-DWDUJTFXSA-N 468.583 0.972 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806078352 KTSMSJSMPDOCPI-CHBUMTKESA-N 477.525 0.200 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807145747 QKUUUEZCQBQYDK-WMZOPIPTSA-N 466.479 0.094 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1810249320 WWSRCDVYWMTAPL-IEZWGBDMSA-N 465.514 0.705 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]2c2cccnc2)c1 1811410036 LZUXDBIIAAOXPE-DYESRHJHSA-N 479.493 0.824 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1819907024 LSLNWIDHNKAVTP-CXLYZZFOSA-N 461.500 0.509 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827994633 QHPLOYOAPAUGHH-IUODEOHRSA-N 461.544 0.899 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CN)CCN3C(=O)OCc2ccccc2)c1 1829048740 AWHCPIZFRLXGGZ-BKMJKUGQSA-N 490.564 0.910 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1829770472 SKRIMKAHYWGGFN-VKUXZERMSA-N 466.897 0.803 30 20 JCED C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1829809043 RGUUFSLDPVJNSL-HXOBKFHXSA-N 452.515 0.962 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C2)C1 1831209221 JOKCPTNVLJJMSO-SANMLTNESA-N 494.523 0.914 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831407077 MUXSBSGBLMKUHA-VWLOTQADSA-N 488.585 0.971 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1831427240 QQKXDKYWWSCHDW-MZNJEOGPSA-N 470.526 0.595 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1831493522 UUCITACPEJRYHT-YZIUBNRHSA-N 453.605 0.798 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2)NC(=O)OC(C)(C)C 1831614178 GCBYIHPHOATUJW-LLJLJFOGSA-N 496.605 0.814 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5csnn5)CCO4)C3)c2c1 1831754565 IYHKHXICUQRNAW-HXUWFJFHSA-N 453.484 0.670 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1c(=O)oc3ccccc31)CCO2 1832755023 AHPGLOJAPDWYCV-CNXHMKESSA-N 498.536 0.299 30 20 JCED COc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1832916166 JVNOQEBDJSKQOX-HSZRJFAPSA-N 453.499 0.993 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833270907 SAXUCHOJSFKMBF-YADARESESA-N 490.557 0.859 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)c1 1833496017 BWOPHQYZURPIOL-HSZRJFAPSA-N 481.465 0.439 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1834389796 QSMBGACTTZQTLB-CYFREDJKSA-N 489.573 0.905 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CC[S@@](=O)CC)CC2)CC1 1835653075 AWQAANKVVFQIAK-NZJKADBNSA-N 452.621 0.575 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1835677779 XAWJOOVEETWOHM-XMMPIXPASA-N 469.542 0.533 30 20 JCED Cc1nccn1CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680637 ITHORIXDFQVFSI-QHCPKHFHSA-N 460.579 0.710 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nnc(Br)n3c1)CCO2 1836256723 VPQCFDGYAKNBKX-IBGZPJMESA-N 477.319 0.866 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2[nH]nnc2C)CCO3)c(O)n1 1836298915 NMRRHINGGCKONT-QFIPXVFZSA-N 456.503 0.716 30 20 JCED CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837447518 QFJCDGJJMDKOTO-HLHNIQGOSA-N 485.585 0.930 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533659 YMQASJBWJYDPKN-ASPARNDVSA-N 462.503 0.193 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837796671 AZHMRIGCJRHSFF-OAQYLSRUSA-N 461.475 0.087 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(-n4cnnc4)cc3)CC2)CC1 1837826351 HVYLVYZZCMQMKM-UHFFFAOYSA-N 451.483 0.968 30 20 JCED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1837990110 HBUWBIWRAKUDAU-LBPRGKRZSA-N 456.590 0.769 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838392966 RFMCXOGFLORKGU-NJRDNMGOSA-N 494.589 0.952 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838763739 MRTDJSKFDGOWGQ-HXUWFJFHSA-N 463.416 0.945 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1 1838830911 SQEXCFNKBWUZGY-PTJKWTKHSA-N 477.518 0.474 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1839175842 IAPITUZXKGIDFG-HSZRJFAPSA-N 483.562 0.867 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN(CC)CC)C2)C1 1839176205 BFMDYMWEFVUICY-XXBNENTESA-N 453.580 0.930 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccc1Br 1839401540 NOCWBQWQYZHLBD-HXUWFJFHSA-N 476.283 0.479 30 20 JCED O=C1Cc2cccc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)c2N1 1839573766 ZKIFLNKGUJKYAN-SKLAUCLBSA-N 469.542 0.723 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839667830 LERWBAXHKWTSMA-SSOJOUAXSA-N 495.511 0.981 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)CCO2)C1 1839737453 LZLWBUDMLTVIPQ-VTJXTGGHSA-N 484.475 0.638 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839860384 SACKIKYCKAOKKK-CYFREDJKSA-N 494.589 0.276 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C(F)(F)F)nc4ccc(F)cn34)C2)C1 1840044437 HWFJKBFECIBDNN-HXUWFJFHSA-N 498.389 0.650 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC)CCO2 1840076194 XDBHEVAMJPAAJG-QZTZHPFYSA-N 493.557 0.122 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1)NC(=O)OC(C)(C)C 1840112017 VPJVCNDDRAIKOI-ZSDSOXJFSA-N 489.591 0.218 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2)C1 1840172866 NRHGWNUKAOUPSU-HXOBKFHXSA-N 496.609 0.175 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c(O)n1 1840446153 HNCGTWPTDJRYSS-QHCPKHFHSA-N 470.530 0.658 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCOC3)CCO2)C1 1840533224 UIPCTWIBUZOCOA-IUKKYPGJSA-N 467.563 0.949 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CNC(=O)C1)C2 1846366117 RQDBJHWASLBLHX-CVEARBPZSA-N 493.561 0.131 30 20 JCED CCCCn1c(N)c(N(CC)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c(=O)[nH]c1=O 24735794 ZFOMZEYBWCBEPG-UHFFFAOYSA-N 462.532 0.464 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(-c3ccccn3)noc2=O)CC1 60330768 VWAYGRSCRCMVHV-UHFFFAOYSA-N 454.468 0.303 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 503345060 REHMNTGSIRGARL-IRXDYDNUSA-N 493.586 0.039 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 507930272 WUMDNLMKOVQBNN-ZWKOTPCHSA-N 489.554 0.637 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1=O 603723969 AIYIWFSEWUUJOH-UHFFFAOYSA-N 452.515 0.301 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCCSC 604118988 YQMVZMJQKHMWKZ-UHFFFAOYSA-N 495.648 0.332 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(N)=O 608911546 ITBQMBZFMMEGPW-UHFFFAOYSA-N 451.335 0.827 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)C[C@@H](C)O1 727844974 XQMVIRRPMMMWFU-CALCHBBNSA-N 451.549 0.770 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCS(C)(=O)=O 729671409 LVHNXRRCLQERHN-UHFFFAOYSA-N 487.525 0.791 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)sc(=Cc2cnn(C)c2)c1=O 838247423 VPNKRPUYDSMHPN-UHFFFAOYSA-N 478.578 0.142 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1 919048265 DWVPRJIPLFSRKJ-UHFFFAOYSA-N 469.519 0.964 30 20 JCED CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1287089630 POJUCYJRUJOQBQ-GVDBMIGSSA-N 467.592 0.865 30 20 JCED COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c(OC)c1 1300040953 IFBNYIFWQAATII-PMACEKPBSA-N 465.507 0.954 30 20 JCED CCN1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1313881139 FZDVKYKWEBVCGA-GOSISDBHSA-N 468.610 0.998 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 1465083420 WLMWHSLNBBOSTN-HOCLYGCPSA-N 456.590 0.824 30 20 JCED CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CCS(=O)(=O)CC1 1509000049 MFLJQEYLLMJNNK-UHFFFAOYSA-N 459.576 0.934 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1555557860 FGRUMBLAWDPEOJ-MRXNPFEDSA-N 452.581 0.996 30 20 JCED N#Cc1c(NC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)sc2c1CCCCC2 1657880060 JYZIWJXQBBZKSB-IRXDYDNUSA-N 452.602 0.603 30 20 JCED CCN(CCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)S(C)(=O)=O 1710142324 GLDSTKFZGNPCMN-WMZOPIPTSA-N 451.597 0.630 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C)n3CCNS(=O)(=O)c3ccccc3)CC2)c1C#N 1725862366 JFEBNKBGPLTYLR-UHFFFAOYSA-N 469.575 0.805 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC(=O)N1C 1743244803 KLUXRPYFQCMDFE-MAUKXSAKSA-N 457.560 0.908 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1748288995 URUCKBDFKAUDPE-DNVCBOLYSA-N 482.563 0.579 30 20 JCED CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CCS(=O)(=O)CC1 1750644701 SHMZODVCJNZHPW-UHFFFAOYSA-N 459.576 0.934 30 20 JCED Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N2CCSCC2)n1 1751623401 MTUMYPBXQZDVKV-INIZCTEOSA-N 463.589 0.756 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1778089840 GOHQOIDNYFIXIK-VXCQTLHCSA-N 483.635 0.398 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1778725996 HQSMEVVISGCGOC-DNHRDODTSA-N 492.536 0.737 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1)c1ccc(O)cc1 1778790429 QYUXHPNCJXFWAM-NSXLHWASSA-N 473.526 0.784 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1778970577 CMOZMRZKQRIQPU-GAJHUEQPSA-N 471.514 0.695 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1779105474 UQGYFVWVMCJAJM-PIVQEWKSSA-N 494.570 0.599 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779396631 WIUYIXZACHWQMN-WOIUINJBSA-N 468.616 0.880 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(OC)n(C)n2)CCO3)c(C#N)c1 1781174185 NNDUJOFBLFPVJV-QHCPKHFHSA-N 453.499 0.995 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)ccc1F 1781296540 ZCVUQTXGIJOCCB-XMMPIXPASA-N 465.485 0.895 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1782012656 UPOIVZGNBXKGIE-FUMRIQNTSA-N 450.499 0.569 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)C[C@@H]21 1783531214 HWRZBFQXUFZXNN-GYMGYDRYSA-N 486.544 0.841 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1783682664 TXLBNCGKFHRKRO-QFIPXVFZSA-N 464.519 0.026 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(c4cc(OC)ncn4)CC3)C[C@@H]21 1784477450 BJGFPKOBISVRLS-VMXMFDLUSA-N 485.585 0.720 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)c1 1785078479 FSDNIEDZQLCMEK-WNSKOXEYSA-N 461.482 0.802 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1785156194 GSBKUDFLJYNCDN-YYOQYYTKSA-N 460.512 0.065 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1785303644 CCXMEMXIMABQAR-YGKZAACZSA-N 464.563 0.954 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785331298 RJFWWYNTBATLJK-NZMUHZMNSA-N 474.558 0.546 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1785574674 NZRRLZFYHGBFNV-NLFFAJNJSA-N 491.633 0.370 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1785576502 DRBINIPMPDBXSI-WAIKUNEKSA-N 483.529 0.484 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1785576952 RMDHOCWYNWAFGY-WZOHSFFVSA-N 491.633 0.369 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1788095653 SVZJOJCOADOKCF-ATIWLJMLSA-N 450.536 0.498 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1788660366 LGBMALWDLIPMCH-KJFZYZBRSA-N 489.554 0.878 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCN(c4cc(NC5CC5)ncn4)C3)[C@H]2C1 1789696743 HYWUZWSJSUXPER-ZULIPRJHSA-N 452.559 0.880 30 20 JCED CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075642 IPQQIMOBFPWACC-QAETUUGQSA-N 483.587 0.701 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OC)cn3)C[C@@H]21 1792262011 VTCZEMBNHJIEKK-BMFAXAFESA-N 487.557 0.995 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)CC 1793244897 XYELVTVRFBXLSR-LVEJAMMSSA-N 466.579 0.960 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN(C)C 1795437833 FHZVKVGSGOGLHE-XSDDWTICSA-N 450.580 0.997 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796404351 OFEPKBRCTVMRRD-LXTVHRRPSA-N 476.490 0.438 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Br)cc2[nH]ncc12 1797498745 GHXBNHLUUCEYAM-XGISUXEOSA-N 461.272 0.617 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1797780951 QUJGWFPCIFQJIV-PZTGFMGMSA-N 484.553 0.281 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)C1 1797809710 AYMMGBCEGARTSO-QMXWOIOXSA-N 451.520 0.694 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2 1797814972 FQQFLBYODCWRPZ-QHITYQDRSA-N 460.516 0.819 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1799302129 ZXQZSRREUXARDS-DMUMMCEESA-N 495.573 0.721 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc3cc(C)nn3c1C)C2 1799303669 MAAPBLQNYUPFHK-CWPLJXCYSA-N 456.503 0.454 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1799390092 WJKJRXNUCSRNLW-NQNKBUKLSA-N 456.540 0.263 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2[nH]nc(C(F)(F)F)c2C1 1800319477 KZUFQEDYTWXGJU-JTRPBFNQSA-N 481.475 0.591 30 20 JCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1800548110 YTRZPDVYYNWTAY-FQLMCAECSA-N 474.505 0.556 30 20 JCED COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801982510 AGNITBYRGVXLRW-CEQLMSFQSA-N 467.563 0.356 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1801992737 VPEHXJWVWSCWGZ-YVWYUNDQSA-N 474.564 0.387 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)C(C)(C)C)C2 1802124476 CBGSVDAAEPCVHK-ILOCAZANSA-N 451.564 0.900 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)O)C2 1802127528 ILUBZUHNGKGHEV-KRXQYRFLSA-N 469.560 0.310 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n(C)n1)C2 1802138534 KJQFVRSJXQUZKT-LOAAXEFPSA-N 475.546 0.798 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)[C@H]1c1cccnc1 1803548173 YOQVQWRFBOLFGE-SSGTUYFUSA-N 457.556 0.928 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1808845810 OZICAXPSWVDUTR-ALKREAHSSA-N 466.502 0.933 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1812494356 VDFJXFNAHPHVAO-DAYNIYOGSA-N 460.556 0.523 30 20 JCED C#CC(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)[C@H]1c1cccnc1 1814262245 BTUHYVBZNMREJW-PGRDOPGGSA-N 469.542 0.800 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)N1 1825073723 ASOJNGJMRLEAFG-OALUTQOASA-N 458.559 0.903 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCN2C(=O)OCc1ccccc1 1829013994 JZFAKTPBCZZMTA-NRFANRHFSA-N 452.475 0.039 30 20 JCED CO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829365512 GEAASZMFFOZRNZ-HXOBKFHXSA-N 457.483 0.561 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1829465626 ABRWYCFSPJKUGK-YADARESESA-N 454.527 0.986 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](C)S)C4)C3)CC2)ncn1 1830957696 QCOBEFHGXSOAAH-KSFYIVLOSA-N 479.603 0.476 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2)C1 1831136540 JFDZSRMMOAZMHM-IIBYNOLFSA-N 475.608 0.693 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831175701 UUHCOEGXRUUVGE-KOSHJBKYSA-N 456.543 0.862 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1831412336 LWHJJIKEVYFWSA-QHCPKHFHSA-N 464.607 0.206 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1831420578 YKUUSNXONOMHAW-BTYIYWSLSA-N 463.560 0.689 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)cc1 1833040138 NMIIHXMCXQKJLT-JOCHJYFZSA-N 468.602 0.655 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833238819 HHQHWYDNYWQNEV-ZGNKEGEESA-N 490.561 0.355 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c(O)n1 1835441363 LCUYGYUGLAIRLS-VWLOTQADSA-N 488.585 0.698 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cccc4c3NC(=O)C4=O)CC2)CC1 1835621192 UVGZJGWDDOQXTA-SREVYHEPSA-N 493.564 0.865 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1835712969 CBPOAMIBOQNZDD-VQIMIIECSA-N 451.612 0.839 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1sc(N)nc1C)CCO2 1835806516 MTSKTFKLHGZMJG-HXUWFJFHSA-N 452.533 0.613 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1836470183 JDBZVIAHDGPCBR-JPYJTQIMSA-N 461.515 0.496 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1837396275 FERTYTBVNFHISA-YWZLYKJASA-N 485.379 0.826 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837441201 WYJUUAQFYVZGHP-SGCYSOCQSA-N 493.586 0.027 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1837445866 AFZJKPOIVBRFGQ-JKJLQIMHSA-N 454.531 0.876 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837770293 YOOIJYBUTCYQEF-QFIPXVFZSA-N 481.500 0.595 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1837862304 CEGPRVBDFPWZKR-UHFFFAOYSA-N 468.558 0.776 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCC(OC4CCN(C(=O)C#CC(=O)O)CC4)CC3)cnc2c1 1838251265 SSGJBVHRKSBADH-UHFFFAOYSA-N 466.494 0.703 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c4ccc(OC)nc34)CCO2)C1 1838486101 JYRSTIZQDDWMBQ-HJPURHCSSA-N 456.499 0.680 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)N4C[C@H]5C[C@@H]5C4)C3)C2)c1 1838582473 OCYXPFLDAPVHRR-OFQSIMQFSA-N 468.554 0.977 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)[C@@H]5C[C@H](O)CN5)CC4)CC3)c2c1 1838620473 ZMENDAACQWDUHY-KKSFZXQISA-N 466.542 0.770 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(CO)on4)CCO3)C2)c(O)n1 1838798812 MNMGFMQKRFFUHI-HSZRJFAPSA-N 472.498 0.770 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1839130554 HDBNEKMCTZPXLQ-HXOBKFHXSA-N 491.545 0.836 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)c(C#N)c1 1839131239 SZJJVVGJKGUGJK-DEOSSOPVSA-N 465.510 0.598 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC4(O)CCC4)C3)C2)c(C#N)c1 1839133162 BCOZTQHOLDJSEM-XMMPIXPASA-N 457.527 0.871 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839133266 IMZWWRDMFUVBFK-RCZVLFRGSA-N 486.569 0.871 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185822 MRZHIOODHUGLEL-OAQYLSRUSA-N 467.519 0.131 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839435400 WKIKIKMXWQPJDN-FDDCHVKYSA-N 453.499 0.376 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CS(=O)(=O)N4CCCC4)C3)C2)c1 1839452136 IDVMWLGPUNFCCI-QHCPKHFHSA-N 490.582 0.362 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c(Cl)c1 1840263554 IXNKCXLGVVQORO-JOCHJYFZSA-N 472.885 0.207 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2ccc(O)cn2)CCO3)cc1 1840494463 BLTSOUTXKOMSJS-DEOSSOPVSA-N 450.495 0.900 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1NC(C)=O)CCO2 1840722885 XKPUZKNIFJLYLE-XXXZYALBSA-N 470.526 0.573 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840818664 OPPCCYRCCNQJDK-QHCPKHFHSA-N 452.467 0.341 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1840819352 GNAHMCBHYVGNLZ-SQJMNOBHSA-N 479.537 0.358 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2)C1 1840841036 ZITKAQJYHDJEPL-XMMPIXPASA-N 497.589 0.414 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1840853085 DAILVICIIVMBJO-ZJSXRUAMSA-N 472.542 0.942 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840857775 ZVVVCYBLBDZBLY-YIFZBPKDSA-N 467.563 0.648 30 20 JCED O=C([C@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844281950 KZBUXBWITCKTKT-INIZCTEOSA-N 454.527 0.895 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)c1 1845874375 ZFJOQCWOESUARG-ZWKOTPCHSA-N 485.541 0.694 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(=O)CC)C1 1845973609 XBTRBPRAPXGJKO-HNNXBMFYSA-N 466.535 0.974 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2OC(F)F)c1=O 480295410 WDHIYLHXSBZDBD-UHFFFAOYSA-N 478.521 0.483 30 20 JCED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 516057649 NCUKLFNSYWKFSK-UHFFFAOYSA-N 456.524 0.960 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522540459 QQOCQKDEEOUAKK-UHFFFAOYSA-N 497.602 0.276 30 20 JCED Cc1ccccc1[C@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 600842813 RSWOTMXFDXFNGZ-QHCPKHFHSA-N 481.578 0.873 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] 604159757 TZCAYJCJJDEUTM-UHFFFAOYSA-N 473.467 0.947 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCNS(C)(=O)=O 608912443 NIDBAENGAUMZFU-UHFFFAOYSA-N 484.550 0.157 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1=O 727167543 SXUGEPMATTTYEQ-UHFFFAOYSA-N 463.897 0.752 30 20 JCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCS(C)(=O)=O)c1=O 729672700 CQIMLUFVMTYQRC-UHFFFAOYSA-N 463.556 0.527 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)c1 913611220 MGUXJCAASNPPIO-FRKPEAEDSA-N 467.463 0.754 30 20 JCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1OC 916925188 ZILDSHOZFFSNRV-MRXNPFEDSA-N 458.496 0.569 30 20 JCED Cc1c(NC(=O)[C@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(=O)n(-c2ccccc2)n1C 916960011 AXWALFQSSAJMLI-QGZVFWFLSA-N 480.506 0.629 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 918986147 GNUDOSNAHDYYTA-UHFFFAOYSA-N 476.555 0.896 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1293218977 SUEOJJFBAABRLK-WMZOPIPTSA-N 457.560 0.813 30 20 JCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359082672 OYDDXUGNVQFAGR-AWEZNQCLSA-N 475.351 0.958 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCSCC2)CCCC1 1360714462 PYOKGJWXHWZUSG-SJORKVTESA-N 483.664 0.979 30 20 JCED C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1508434088 MRGFFEJFZUCSBM-GJZGRUSLSA-N 468.605 0.966 30 20 JCED CC(=O)N1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)CC1 1596275688 MDPJXEHLAJAWDW-INIZCTEOSA-N 466.612 0.182 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1698319852 QLOITYITPIJOPH-MOPGFXCFSA-N 476.559 0.662 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccccc1 1706748092 SOUZJQOHMKWOSI-JKSUJKDBSA-N 466.589 0.897 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1729223872 TVSSVWLOBCNIRN-AWEZNQCLSA-N 454.578 0.884 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1747546526 MPRHPMFCXNRZGR-UHFFFAOYSA-N 496.616 0.661 30 20 JCED CS(=O)(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750201963 MZXOYKNSCKLOGU-MRXNPFEDSA-N 458.548 0.257 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1751232988 WHKPPOYBLVRAOA-FUHWJXTLSA-N 492.650 0.713 30 20 JCED COCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1769559782 JUIRXRUSVLMPEN-PXNSSMCTSA-N 470.596 0.529 30 20 JCED Cn1c(=O)c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nc2ccccc21 1779101852 RMTQTHCACDKVOX-BOBMVNQMSA-N 483.525 0.906 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)cc2C1 1779106889 MSSCKRFGEYHMOY-FVOVQBGFSA-N 474.562 0.691 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1779284118 HQQVNIUNXTYFNE-QZMQVMSPSA-N 464.563 0.976 30 20 JCED CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1779377493 SJUDONHYAYICLV-ZNUZEINGSA-N 452.625 0.456 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)cc1 1780059654 BLQXUCXPFJGEJI-XMMPIXPASA-N 458.478 0.913 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1781270567 PHGXLDKJFILHIQ-JOCHJYFZSA-N 455.471 0.042 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(C)C(=O)C(=O)O)C2)c1 1781540287 DHBBUEHKXOIXJS-WZONZLPQSA-N 472.498 0.237 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N1CC[C@@]3(CN(C(=O)CC#N)CCO3)C1)CCS2(=O)=O 1783474889 KFNLRKFMFIOIGS-IIBYNOLFSA-N 496.586 0.154 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)NC(=O)OC(C)(C)C 1785306032 HHBZXXPXZZNQDW-SAHWJRBASA-N 481.594 0.269 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1785578444 YTLNSGCZDDMIQF-DGGJZMOXSA-N 462.547 0.259 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1785593335 ZYPYQFJJGAITQI-SMGXNKOPSA-N 476.574 0.812 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]2C1 1786844476 KCYDHKWEJHOWAL-FKSLSLAPSA-N 468.595 0.799 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCOCC4)n3)C[C@@H]21 1786858131 FETJDPXFQUXRHG-ZJOUEHCJSA-N 484.601 0.793 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1788656034 HXTZNNHGEZUOQI-CAUZGTQDSA-N 464.479 0.300 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788888782 HHSHZFMVIPGXQO-QSFXBCCZSA-N 465.466 0.719 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)c(C#N)c1 1789839585 JWERSMCKQZAIAQ-QSFXBCCZSA-N 491.508 0.134 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906769 JBXJPZBKUYPVGJ-GIUOSPMZSA-N 460.506 0.371 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C[C@@H]21 1791265313 DCSZIVARITZHDS-OLMNGRFOSA-N 459.609 0.949 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1)N1CCN(C)CC1 1792833610 HSLUQWRXBSMETP-IVDSKFSHSA-N 453.587 0.716 30 20 JCED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1793571145 UDBWZCSMJLZTDF-AKHDSKFASA-N 476.574 0.742 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793789521 VDQPYOIXUNMRTP-NEEVEDRESA-N 489.573 0.654 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794506439 CPPZCOQDEVTFOF-FEJSZKPUSA-N 453.543 0.415 30 20 JCED CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2cccc(C#N)c2)C3)CC1 1795443679 KRGBPRWTIIBPSV-BRTYFSMRSA-N 453.587 0.718 30 20 JCED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2)C(=O)O 1795645971 YQWKKFLUCSIXLD-KPEUIFRASA-N 479.331 0.587 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C 1798278785 WFUIJHXPBGBTJR-SFNKJDCFSA-N 457.531 0.905 30 20 JCED COC(=O)[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C)NC(=O)OC(C)(C)C 1799395708 HJLPKTMSIRGIFA-OGJJZOIMSA-N 498.577 0.833 30 20 JCED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)C3)ccc1F 1800133054 UTBULIKSEYYPJN-QDMKHBRRSA-N 450.434 0.318 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1800739852 KGJIXARHBPMQSF-XBIRKDKFSA-N 461.559 0.871 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)[C@H](C1CCOCC1)C(=O)N3)C2 1800777120 DXSPSHJHCNYABB-TXKCWOHGSA-N 481.505 0.440 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1)C(C)(C)S 1801070408 AHGXUDYGKBIXIT-DMHIMHRUSA-N 498.646 0.704 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1)NC(=O)OC(C)(C)C 1801071692 UIBZRIDOZYOZFP-CURYNPBISA-N 478.590 0.962 30 20 JCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 1802025233 UKWZPDPYLOZHFV-RVDAZCDBSA-N 456.499 0.262 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC3(CCN(C(=O)c4cc(C#N)c[nH]4)CC3)C2)n(C)c1=O 1806901572 PXHAQDRSCJGZFH-UHFFFAOYSA-N 492.540 0.178 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810566856 UVJNZJPEOOGZRZ-YZVKPHJVSA-N 475.546 0.768 30 20 JCED N#CCC(=O)N1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1812443197 ANYBXQRHIZUHTL-LJCCNALRSA-N 470.555 0.181 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)[C@H]1c1cccnc1 1812881239 XBUHBGGXHYZTOT-NBMBROAQSA-N 476.533 0.811 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828242111 GPETYEODDNYYTO-GZTOBOFZSA-N 479.609 0.774 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccccc3N)C2)C1 1829765032 FGDPBBSKFNLWSH-QJTOUBETSA-N 454.527 0.597 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)c(F)c1)CCO2 1830143540 YRJLAAHQSWGNDS-KSEXMQBYSA-N 461.490 0.763 30 20 JCED C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830744026 KASIPVABEXUFGU-HOYKHHGWSA-N 495.621 0.885 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1830881471 XKHBUXQSCWDWIE-MBSDFSHPSA-N 499.630 0.998 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1830881714 IUUUNVACAWCOLI-FDDCHVKYSA-N 465.547 0.132 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1830886315 DMJXVBLJSHMSEL-HSZRJFAPSA-N 498.577 0.304 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCc3ccc(OC)cc3)C2)C1 1831402245 RLXBFGVJQMPITM-CYFREDJKSA-N 460.527 0.707 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1831433876 NTXATAMPOKOSQZ-SZBRSHHCSA-N 487.597 0.669 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1831495750 LHXKWPUQAVGZEA-SGXKBVARSA-N 464.588 0.611 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831563234 BYAISYCQEQVONC-WCJKSRRJSA-N 482.534 0.021 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832208236 JZPUSIUYZUOTNQ-VGOFRKELSA-N 458.519 0.689 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832534987 OXXLLYSPSIQJDH-FNZWTVRRSA-N 499.564 0.702 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cn4ncccc4n3)CC2)CC1 1833074910 IPUJJLMILBPUDG-WAYWQWQTSA-N 465.558 0.773 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833147068 FQRUYYYWINJOMY-SFHVURJKSA-N 465.595 0.993 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)n1 1833338687 WRMBEQBMGCZFPD-OPAMFIHVSA-N 461.519 0.911 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1833473515 VJVQDOKWMWTUMO-IRXDYDNUSA-N 458.625 0.477 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN(C)C(C)=O)C3)C2)c(O)n1 1833697110 VGTHVYMLICZAFR-DEOSSOPVSA-N 474.558 0.844 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833787460 GOONTIWHIKMEQU-QFIPXVFZSA-N 462.934 0.899 30 20 JCED C[C@H](CC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)NC(=O)OC(C)(C)C 1835093710 WRNBEJDAWJUKKF-MRXNPFEDSA-N 464.563 0.949 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338590 MRBHOZUFXZUICA-ZHRRBRCNSA-N 466.535 0.022 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2)NC(=O)OC(C)(C)C 1835536059 KHWDPBXBILJFFY-BSRJHKFKSA-N 468.595 0.897 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1O 1835667719 NFNZMFLWXRFWIH-XMMPIXPASA-N 474.558 0.682 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1835677836 YEUOKZJOGJRIDQ-GBXCKJPGSA-N 456.543 0.728 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)C=CC4=O)CC3)CC2)c1 1836125403 LKOVVZHJXSBGAS-UHFFFAOYSA-N 479.537 0.677 30 20 JCED COCCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1836551031 BRRYRPIOCJWUFL-GQBVICOWSA-N 462.551 0.071 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)CCO2 1836684636 GEUZKEMCOAVBCP-XUZZJYLKSA-N 456.543 0.648 30 20 JCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1836862881 HJOZIKSNSIFEJF-UHFFFAOYSA-N 473.534 0.408 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837094732 ZYBRYOISTLIVIH-KHLOOKIASA-N 461.519 0.428 30 20 JCED O=C1NCc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)ccc21 1837150580 SQOGCJMRZHMIQC-APWPHXJISA-N 486.525 0.529 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)N1C[C@H]2C[C@H]2C1 1837279130 RFZMLVMBADZFRV-AQHVHYGPSA-N 452.555 0.897 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1837394537 CKSPNMLZCJTVAE-PXDATVDWSA-N 488.585 0.561 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1837445901 BQICDRAYQQKIFB-DHNIJCFSSA-N 460.535 0.207 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837487496 XZCLFSGPOMKIQB-UPCLLVRISA-N 490.524 0.795 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837490908 FXUWEGWZJYJRPU-KCWPFWIISA-N 481.593 0.856 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n(C)n1 1837524774 MJTUAAYEGYWRSA-WCNTUGILSA-N 465.507 0.028 30 20 JCED Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525717 YUZLTUVKZUINBG-FKTOORKZSA-N 464.519 0.819 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837529806 ZDINQWWOZIGKGW-GZNYDSFXSA-N 472.502 0.557 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)C1 1838027793 NUQAREWMKNAORV-DEOSSOPVSA-N 481.557 0.824 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838117222 OJKLIEGQOSXSHZ-WZONZLPQSA-N 455.515 0.928 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1Cl 1838595830 DMJLJCHWDSELBJ-OAQYLSRUSA-N 473.873 0.797 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])CCO2)C1 1838601865 XNOOECZGSJUNLE-AUSIDOKSSA-N 493.513 0.952 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1839175148 RMXUYGTVJYXNSX-NRFANRHFSA-N 453.442 0.939 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1839175469 MAGJSDLNKQMKFV-VGTKIRILSA-N 489.525 0.722 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839718658 HELUYDBYSZYUEK-JOCHJYFZSA-N 460.487 0.407 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C[C@H](F)[C@H](C3)N1C(=O)OC(C)(C)C)CCO2 1840038856 YJTFCUGGFHTCLV-DEFNNUQUSA-N 465.522 0.812 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1)c1ccc(O)cc1 1840220981 MUPWWOCNEDTONX-UQBPGWFLSA-N 496.568 0.679 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1845223202 ZKKHIFRCPCBPLU-DWLLQQPHSA-N 468.551 0.995 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCN3CCC[C@@H]3C(N)=O)nnc12 593893207 GANKPUFKIWLWAM-QGZVFWFLSA-N 469.571 0.778 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc3c2OCO3)c1=O 603988683 CAMYPCMWBBWPTR-UHFFFAOYSA-N 484.578 0.246 30 20 JCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(OC)nc3)c2=O)cs1 608884527 VOGMECFRLDBJBL-UHFFFAOYSA-N 471.564 0.587 30 20 JCED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 730891046 HUTYZQHKEUOIAV-UHFFFAOYSA-N 459.440 0.551 30 20 JCED CNS(=O)(=O)c1ccc(-c2ccc(C=c3sc(=C(C#N)C#N)n(CCOC)c3=O)o2)cc1 812933166 UHDRDBBILIURGY-UHFFFAOYSA-N 470.532 0.751 30 20 JCED C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCC[C@H](C(N)=O)C1 857763598 PRUYLWXLMGUFRR-YJBOKZPZSA-N 476.555 0.615 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1F 914658986 XHNRJUBZHITMHQ-UHFFFAOYSA-N 471.488 0.733 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 916661621 DWZKXMIZJFAAOF-SFHVURJKSA-N 489.598 0.577 30 20 JCED COCCCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 916874902 HNFOUFWNBHCSGA-SFHVURJKSA-N 498.989 0.815 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@]1(N2CCOCC2)CCSC1 917119864 YYVLDSPMFPPLFL-HXUWFJFHSA-N 452.602 0.829 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2Br)OCO3)c(=O)n1CCOC 917356983 WNWAVZMMFTZYBT-UHFFFAOYSA-N 492.351 0.853 30 20 JCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(C(=O)C2CC2)CC1 918987807 JOLGLGGHHZJGNK-UHFFFAOYSA-N 490.582 0.910 30 20 JCED CO[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C1CC1 1315196160 LVQLTJRISWLEDG-YJBOKZPZSA-N 474.591 0.907 30 20 JCED Cc1nc(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C#N 1337345210 KVBSJPNWXCGWIA-UHFFFAOYSA-N 458.496 0.756 30 20 JCED C[C@@H]1COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1494605355 WBWTURSGGIKQSB-MJGOQNOKSA-N 481.623 0.462 30 20 JCED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539578194 XROQCKJSGOOFLN-ZDUSSCGKSA-N 478.355 0.955 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1552381837 PLPDANSYEVKTCI-INIZCTEOSA-N 452.562 0.379 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1593807379 KERAJBRFUZUXDL-ZIAGYGMSSA-N 469.033 0.749 30 20 JCED CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CC(O)(CC#N)C1 1616733375 OKJKZEIUZZINSI-CQSZACIVSA-N 458.334 0.469 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CC(=O)NC2CCCCC2)C1 1712707549 YIDKJKVMBWLHPX-SFHVURJKSA-N 479.607 0.800 30 20 JCED CN(CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1768893533 VCDZCUOHWXPOCE-CABCVRRESA-N 495.528 0.224 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779396630 WIUYIXZACHWQMN-NNMXDRDESA-N 468.616 0.880 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779423167 GTVHCCYXLSTSBK-CTEXWBPVSA-N 467.567 0.737 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781110998 HEGPUIBKLMNVJA-PNLZDCPESA-N 469.604 0.963 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782054877 APWPZGYYSUVCFT-SMGXNKOPSA-N 493.557 0.349 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)OC)C2)C1 1783990408 AHVSHMCAIWSMRD-MFEFFIJZSA-N 498.577 0.657 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1785196811 QCSDHMHXQYFIIG-HYBUGGRVSA-N 472.542 0.940 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3noc(C)n3)[C@H]2C1 1785275279 INCHLVLFWIQUDH-FJIDUMEYSA-N 475.546 0.817 30 20 JCED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21)c1ccccc1 1788704532 FIBHRAYPFYRYTL-WOZUAGRISA-N 466.538 0.715 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791077665 CGLURPWLONWGRU-XSLAGTTESA-N 463.531 0.701 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C[C@@H]21 1791078876 DDXUDKUQBKDCRX-WFXMLNOXSA-N 495.532 0.149 30 20 JCED CC1(C)C=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CN1C(=O)c1ccccc1 1791149014 JYUPFZJFMQXUGI-JBACZVJFSA-N 479.533 0.915 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1792567501 PEURNZGVESEDHL-IOINJSANSA-N 476.574 0.711 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1793835557 IJWVHPCHWGHOBD-OPMZPASUSA-N 479.986 0.012 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 1794592270 GPDSFPLLQXLYGE-IYWMVGAKSA-N 482.541 0.889 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796783742 XLCDESIXEYXLLA-SSTJLMRISA-N 484.601 0.918 30 20 JCED Cn1c(=O)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)c2ccccc21 1797782652 HBBNNXDNKJNKQL-NHKMSHSESA-N 480.565 0.628 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1798695252 XUSHFMMOEVRPHZ-MRTPNAOKSA-N 499.568 0.971 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOCCOC 1799383678 DCPIOQQYWKMUSN-KEZQHZCBSA-N 472.579 0.253 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1799391251 KFWBVDLODUBCQI-DAUOMPHXSA-N 496.605 0.995 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)C2)C3)ccc1Br 1799711050 VUCMNJPGXHKZJC-AFIMGQEJSA-N 461.316 0.660 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884528 YYDRFAOMNCEARF-NTNQKNOYSA-N 460.498 0.928 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1800228271 IJRVEADHVRVCOV-MCEUPANISA-N 479.603 0.606 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800298016 RAGDIKKOAHPCCQ-NVNANWAMSA-N 471.598 0.785 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1800673043 QGFNDRIDSIXUHL-DBGBFXKQSA-N 454.524 0.630 30 20 JCED CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800906205 KJBXKZDPZCPZGR-DLTLXFJOSA-N 472.608 0.314 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC 1801205299 YGIHOZUDZQJDJX-KYHPRHEASA-N 468.551 0.792 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1804194304 LHUFTLVVZKTUDM-DHLKQENFSA-N 480.590 0.870 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)C[C@H]4NC(=O)NC4=O)[C@@H]3c3cccnc3)c2c1 1804349752 WPRZZAUZWISFSH-FPDPHYFHSA-N 486.492 0.747 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1806007920 OHSQULPISOITIA-CEXWTWQISA-N 490.626 0.436 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1807027610 ZQGNHWHMYIJTBV-RXVVDRJESA-N 478.486 0.511 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1807141432 APBWEVNXXLKEEZ-CTNGQTDRSA-N 490.630 0.100 30 20 JCED C#CC(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)[C@H]1c1cccnc1 1812534912 RCDQKTVZUMFPEU-AVRDEDQJSA-N 469.542 0.800 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cc2C1 1812881457 XUHFMZGGXKMQTP-VGSWGCGISA-N 450.499 0.521 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819886951 OIKXPDPCZQMKTA-GSKBCXBYSA-N 450.565 0.177 30 20 JCED C[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)n[nH]1 1821780707 QNLMYPNUHXXRSZ-AYRXBEOTSA-N 480.616 0.900 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C#CC(=O)O)CC2)cn1 1827379343 NUKVFKFPKDIBEX-IBGZPJMESA-N 461.540 0.948 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1828807834 UXGJPMIVOYXBFM-QHCPKHFHSA-N 480.481 0.867 30 20 JCED CN(C)C(=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828923119 RRXREQPCCFZGJV-HSZRJFAPSA-N 455.515 0.830 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1828926694 DYMBPCNYLLYTIH-QFIPXVFZSA-N 456.503 0.411 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)CCN2C(=O)OCc1ccccc1 1828936587 VFCYXLNFGDQFOO-RUZDIDTESA-N 468.554 0.794 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)cc1 1829629720 CQLHFZTVHVCHMC-VWLOTQADSA-N 477.521 0.755 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632185 SQPUFPSBNFZVIW-HOYKHHGWSA-N 471.558 0.655 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829899003 QERHIGPOIPMRHD-DEOSSOPVSA-N 456.543 0.719 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)cc1 1829905843 NMWIKEAQIHCYTR-VWLOTQADSA-N 474.521 0.843 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1830641889 FWTRKBOAHZNLIY-HSZRJFAPSA-N 483.631 0.883 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3C)OCCO4)C2)C1 1831393948 SLZKKEGWXMXJSD-MHECFPHRSA-N 458.511 0.875 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CC(N)=O)CCO3)c(O)n1 1831599768 SRJPRXWPQUQJCS-HJPURHCSSA-N 460.531 0.487 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](CC)NC(C)=O)CC2)CC1 1833096721 AIHIUTXQFLDJDO-HXUWFJFHSA-N 450.580 0.982 30 20 JCED CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833144590 IFKHVSAXEQUQQU-KCOUNZPASA-N 466.583 0.358 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)nc1 1833645757 MCWZIAZKGIUABU-QHCPKHFHSA-N 458.563 0.499 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)CC1 1833685517 WHIORWNETWFUEY-QGZVFWFLSA-N 458.559 0.437 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2c(C)noc2N)CCO3)c1 1835626586 MWSQMUZTNVQLBD-JOCHJYFZSA-N 455.471 0.829 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1835732429 AFYHVWCBKXWHON-PCLIKHOPSA-N 457.579 0.287 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835973771 SDQXCKKWTBXTQF-HOQWKFCYSA-N 469.926 0.522 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c(C(F)(F)F)n1 1836208233 ZGOWRLZLSVXDEJ-LJQANCHMSA-N 479.419 0.334 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1837400427 FJEFBHBEFVHVMZ-HXOBKFHXSA-N 469.579 0.929 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1837403434 STCFNIFSORGPOF-OPAMFIHVSA-N 455.552 0.541 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837796669 AZHMRIGCJRHSFF-NRFANRHFSA-N 461.475 0.087 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)cc2NC1=O 1838589425 OZGJNPJUFMKWEL-MYYSRTQBSA-N 479.493 0.990 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1Cl 1838599580 NFACKYOLLZMYMR-QFIPXVFZSA-N 472.885 0.207 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739267 POTOURNDMSMQJD-FYSMJZIKSA-N 483.500 0.914 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)ccn4C)C3)C2)c(C#N)c1 1839132467 HORULHWJZAIONO-RUZDIDTESA-N 480.521 0.578 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)cc1 1839362630 DRLGEQURZSSQOZ-RUZDIDTESA-N 488.504 0.539 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401471 JSDMAJQHDMVFSL-LHSJRXKWSA-N 493.358 0.915 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)nc4ccc(F)cn34)CCO2)C1 1839526049 XNBPTHDBMFBZJG-HXOBKFHXSA-N 458.490 0.890 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]4CCO[C@H]43)C2)C1 1839810742 PKWXPIWOLRHAKF-KKIGLAAZSA-N 477.558 0.348 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1)C(F)(F)F 1839894276 SVISADOSGFOSBV-FQEVSTJZSA-N 471.480 0.907 30 20 JCED COc1ccc(-c2ncccc2C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840041713 DDUAYBBBWJSEAE-RUZDIDTESA-N 479.489 0.915 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cc(C(F)(F)F)ccc4n3)C2)C1 1840042148 DZKTZFJZXUMKKR-HXUWFJFHSA-N 480.399 0.511 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4occ(-c5cccnc5)c4[nH]3)C2)C1 1840043048 FHZLOYTTXRFRNB-XMMPIXPASA-N 478.461 0.981 30 20 JCED CCN(CC)[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840044616 OGYFVAHTZDNUPB-UPVQGACJSA-N 457.527 0.614 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1840108026 IYNOZMYLZJUGHG-HOOSLVGPSA-N 496.605 0.827 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1840164932 KKJABCBGVCYGKF-KUHUBIRLSA-N 461.556 0.720 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1840796889 SFOWKYYENQLNKM-HOOSLVGPSA-N 494.589 0.438 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1840820663 DCIBSQGAKMVLPA-HSZRJFAPSA-N 453.499 0.749 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840963410 BPRVVRSYKRCEAD-HOYKHHGWSA-N 493.557 0.568 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1)C(C)(C)S 1841848756 HTAFOHHDPQXXHO-OAHLLOKOSA-N 483.591 0.343 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)cc2C1 1843995400 YNUSRQYOSIDIHE-UHFFFAOYSA-N 457.487 0.539 30 20 JCED CC(C)(C)OC(=O)N[C@@H](COc1ccccc1N)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195852 KMBRBFFWAOKQKJ-KRWDZBQOSA-N 486.525 0.832 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 1847259194 YODIMLGBXSQJEE-KJZUGROVSA-N 464.563 0.975 30 20 JCED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 26763394 RJVIRWPNOJSMOF-QGZVFWFLSA-N 470.573 0.384 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NS(=O)(=O)c3cccs3)CC2)c1=O 27535007 SDGAGLGDMUWJEI-UHFFFAOYSA-N 467.573 0.006 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c1=O 500490189 KSDPJJSTDKRJHX-UHFFFAOYSA-N 458.496 0.668 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCN(CC)CC2)n(C)c1=O 500547305 XSCBQJHOUOJMLS-UHFFFAOYSA-N 471.539 0.421 30 20 JCED CNCCCc1[nH]nc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1C#N 518354597 FVXANJWWYVTVIT-UHFFFAOYSA-N 462.532 0.715 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2F)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 523256258 ZVWQBXIXHSZCPF-UHFFFAOYSA-N 498.561 0.526 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)c1 603796063 KIKRNLVMRMVLJF-UHFFFAOYSA-N 454.596 0.826 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(=O)N(C)C 604269111 SABWTDVCLOXICP-UHFFFAOYSA-N 480.949 0.446 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2CC(=O)N(C)C)CC1 604270143 IXJXQYABGGJBBQ-UHFFFAOYSA-N 488.013 0.319 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)ccc2OC)c(=O)n1CC(N)=O 608911811 QEMHQNWXGAHTRB-UHFFFAOYSA-N 479.356 0.195 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1CC(N)=O 727162622 PBQFGELLASXEGZ-UHFFFAOYSA-N 496.330 0.029 30 20 JCED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)CC1 728405056 PUMQQJYYBXXYRC-UHFFFAOYSA-N 478.557 0.330 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCS(C)(=O)=O 729672721 DTUOXSKKVJJBCP-UHFFFAOYSA-N 459.593 0.883 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 730029494 REEXAKFOCRXMSR-DEOSSOPVSA-N 492.492 0.142 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1CCN(c2ccncc2)CC1 748286341 BMHMUBXJRFRUPY-UHFFFAOYSA-N 456.572 0.839 30 20 JCED CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 914606707 KWDHIGZHUVFNKW-UHFFFAOYSA-N 497.643 0.769 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 918896675 PZPMKACBBWIYID-INIZCTEOSA-N 464.544 0.704 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(F)(F)F 1288863847 SKROBOODPNIYMX-NEPJUHHUSA-N 473.485 0.827 30 20 JCED CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1315049258 LVAAIFIEQAAUGN-MRXNPFEDSA-N 475.550 0.654 30 20 JCED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 1465567721 KOSVQDTVEUAZPW-HZPDHXFCSA-N 459.528 0.944 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1 1503476853 PUXGMSYJAUGGAT-NQIIRXRSSA-N 476.559 0.270 30 20 JCED COC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1554722111 ZNRGFGMLPHQLDB-HOTGVXAUSA-N 454.553 0.299 30 20 JCED N#Cc1ccc(O[C@H]2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)C2)nc1 1563909460 WDTCXYUDYUWMCJ-SFHVURJKSA-N 450.503 0.645 30 20 JCED N#Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c(=O)c1 1614712817 MNSHZRPZGBMZFC-UHFFFAOYSA-N 458.496 0.414 30 20 JCED CC[S@@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1617405495 AXZMPPILIXMGRV-BBFFTDKLSA-N 497.622 0.994 30 20 JCED CS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1620178162 ZDZWOZQTCHKKLN-KRWDZBQOSA-N 460.564 0.662 30 20 JCED C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1691013436 SEOWROICWMADFH-MRXNPFEDSA-N 450.547 0.694 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705688721 SYTZUQKHLIAHTK-ZDUSSCGKSA-N 484.380 0.676 30 20 JCED C[C@H]1CN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 1708242739 LPEKTYFPDZPTOX-RCJHGTSTSA-N 457.576 0.830 30 20 JCED CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCN1CCOC 1727801913 LHBSGVRWIOEBPG-OFNKIYASSA-N 488.614 0.913 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCC(O)CC2)C1 1741983575 KPVYGVUOHTVHGU-DENIHFKCSA-N 495.650 0.588 30 20 JCED CC(C)NC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1750991180 LOOPLXGEVOZOII-OAHLLOKOSA-N 492.581 0.750 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1751228745 NJZAMYGBAVJVMY-ZBFHGGJFSA-N 466.612 0.227 30 20 JCED CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)c1=O 1765345058 JZZHHTIZSXJFSB-GOSISDBHSA-N 475.575 0.581 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1768464256 KSTRBFYXWCVJAC-UHFFFAOYSA-N 450.547 0.553 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1779429442 UWJZDIWKORXFBS-XAFXBNPJSA-N 461.519 0.286 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cn5[nH]cnc(=O)c5c4C)C3)C2)c1 1780019395 BLFVDCFDPSMLTR-XMMPIXPASA-N 476.493 0.969 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CCO[C@]4(CCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)csc2n(C)c1=O 1780334083 NFEPVFWCKYORNF-HSZRJFAPSA-N 496.549 0.185 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)[C@@H](O)C1 1781114749 LVAKDPFRSIQXAL-QQMNAOGKSA-N 462.547 0.738 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781290723 JFHDLIOCMLFOOV-GAJHUEQPSA-N 478.594 0.516 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(CCO)CCO)C2)c1 1781836267 VECPYJDJWOPPLW-RCZVLFRGSA-N 472.586 0.291 30 20 JCED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCOCCOCCOC)C1 1782069261 MSZYIHNMTOXRRJ-NFBKMPQASA-N 454.564 0.610 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCCCNC(C)=O)NC(=O)OC(C)(C)C)CCO2 1783054189 BUHIGFGZHXOYSM-FDDCHVKYSA-N 464.563 0.649 30 20 JCED CC(C)(C)OC(=O)N1[C@@H]2C[C@H](F)[C@H](C2)[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783493984 SQVATUTZKBLAML-FKJUYZFESA-N 479.505 0.640 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OCCCO)cc3)C[C@@H]21 1783531070 AQXVKPARQLCLJT-WVLSTQDFSA-N 471.554 0.900 30 20 JCED Cn1nncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783779217 BFSGIKWEXZSPIR-QVKFZJNVSA-N 482.607 0.860 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNCP(=O)(O)O)C[C@@H]32)c1 1783912252 PKJUNSCIPPSJOD-FHWLQOOXSA-N 464.459 0.195 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)[C@H](O)C1 1784379701 NEPHXWIYBDLJMZ-FCMAGTKHSA-N 475.586 0.997 30 20 JCED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)CCC1 1786788698 WBILAWJLSWWWMR-ZDUSSCGKSA-N 470.555 0.886 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788138428 BTSMHBAGGDSOAF-OKYOBFRVSA-N 492.573 0.725 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1788657048 XIHIZMGMIYIMGT-ZHGQIATISA-N 461.475 0.297 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1790586638 XFGBDUZIQPPZCQ-VERUCKTNSA-N 450.499 0.693 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CN(C(=O)OCc4ccccc4)C3)[C@H]2C1 1790783896 QNWPEVSDQRXXOP-IHPCNDPISA-N 469.494 0.323 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1791124410 WPKBBVDBJCUSMX-FECROARQSA-N 493.601 0.765 30 20 JCED CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCc3ccc(C#N)cc3)CC2)CC1 1792423590 CKFDQDYMTPKJHV-ACHVPNTGSA-N 465.598 0.860 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1792794430 YZHZTPYKVNWYRQ-JJMVIIOLSA-N 456.565 0.152 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cc(F)c(F)c(F)c1)NC(C)=O)C2 1793345615 RTPFKEMJRXBBQP-HMLMVRNSSA-N 495.498 0.779 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)n(C)n2)N(C(=O)OC(C)(C)C)C1 1794327042 VMDVFCWTKIPKKB-HIRMHNASSA-N 475.546 0.895 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1795598431 FXNGSAQYKUDPCI-IZZQQSIFSA-N 477.587 0.111 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797780966 SASQNJXMEULOAN-OPMZPASUSA-N 489.594 0.528 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C3)c1 1798579046 ZKIUUSZLYHYDOM-YNVMFWSZSA-N 474.514 0.613 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 1798692579 UTFSCNAXHXYVNH-FPPGBKCQSA-N 487.557 0.707 30 20 JCED CC(=O)Oc1ccc(Br)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777862 KLLNDBBIJKABGV-DBWKPXFBSA-N 479.283 0.666 30 20 JCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 1800872316 NHMFUSXPNGJFOE-HBCWATKFSA-N 454.936 0.512 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2)NC(=O)OC(C)(C)C 1801931147 JWNKDWZANZMQGE-VQQMMKBISA-N 480.606 0.768 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)C1 1804853251 NYRZQDPEEMKJIB-WAYWQWQTSA-N 468.558 0.720 30 20 JCED CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)CC1 1809599316 LBNUAZHQPXYLKI-KELNXXOKSA-N 455.607 0.807 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1811712580 OSLTUGOCTNMBHN-IIBYNOLFSA-N 464.457 0.964 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815069733 JKIHHGIIGMWZAX-ZIAGYGMSSA-N 456.528 0.599 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1819425432 FKSZTLCJXAGXMK-MRXNPFEDSA-N 479.501 0.540 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN(C)C(=O)C(=O)O)CC3)c(C#N)c1 1822810007 PNKMFXASFQKOFA-AWEZNQCLSA-N 485.522 0.721 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(c3cccc(OC)c3)C1)CCO2 1829639717 LWURHBXTTAXZBR-DFBJGRDBSA-N 469.538 0.918 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnc3ccccn13)CCO2 1830662974 YHWNNHSLGOYHAZ-RGXRWQALSA-N 468.558 0.805 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831213330 PKTBVEQQBYNADW-HSZRJFAPSA-N 460.552 0.502 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(N4CCCC4)ccn3)C2)C1 1831391406 AOTUVZCVFLESKL-DVECYGJZSA-N 456.543 0.790 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1831391764 GMKIURQLGFMRKS-JPYJTQIMSA-N 455.515 0.454 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1831409549 SPSIDQIBJRVHJB-SFHVURJKSA-N 452.426 0.531 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1831431200 AOOCNCLQFBKOKH-MWTRTKDXSA-N 487.513 0.340 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1)c1ccccc1 1831570820 LUUSVYLVJXBSKP-NMMYMHLASA-N 455.511 0.748 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1832000821 YSFGXRAURVBEAT-MWUGDXRPSA-N 481.546 0.943 30 20 JCED C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C(F)(F)F 1832167847 XZCYZFRNUDWWLC-WOJBJXKFSA-N 471.432 0.707 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832423298 AWDOHTSTXYZLHN-MBSDFSHPSA-N 451.564 0.419 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)CN4CCNC4=N)CC3)CC2)c1 1833236201 GBVGVTMGHJLPDP-UHFFFAOYSA-N 465.602 0.902 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c(O)n1 1833696309 BFXAQVQEXMTKNX-RUZDIDTESA-N 498.536 0.291 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)CCO2 1833726068 WHVUZIQNAIYNFQ-QHCPKHFHSA-N 457.531 0.054 30 20 JCED C=C(C(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1)C(F)(F)F 1834665847 ZKTZEGHFPRKHHI-UHFFFAOYSA-N 456.402 0.401 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](CC)NC(N)=O)CC2)CC1 1835060194 WRWWEAIVOVXFEE-SFHVURJKSA-N 451.568 0.514 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1835677609 LLWXQUDRBVYEAU-MXDSONSJSA-N 481.553 0.760 30 20 JCED O=C(/C=C/C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1)c1cccs1 1835764898 QVWUGRSZXHGRDH-ODIYJBSKSA-N 490.626 0.709 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835768688 CIVVWDVTPPPOFT-OOLNSOFGSA-N 481.594 0.238 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)CCO2)C1 1836259681 JSVXPGOAGLAASE-KBMIEXCESA-N 499.568 0.541 30 20 JCED O=C1NC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)O1 1836902192 SWBUNORMAPFSGG-DYOPXDPWSA-N 452.508 0.622 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837376489 ZXRFMMYBOHMVIE-GAJHUEQPSA-N 457.531 0.265 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1837527362 LZAAGFJYUWSMCX-GWUIQJEXSA-N 461.515 0.705 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1837529735 XNBYVJOSQGBKBX-UCIFFXHFSA-N 464.563 0.312 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cc2C1 1837565022 IZCXIMZIKRFHBI-ZVWIGDQWSA-N 484.557 0.501 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1837565048 KEMBGSTVHJAJDU-XYOUCOMCSA-N 479.537 0.921 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2)c1cccs1 1837796198 RGXJIRWYWXLKSY-WUUFJKRQSA-N 475.483 0.889 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838567869 UBHMLDXLKBXBDS-UUOWRZLLSA-N 476.526 0.497 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCS(C)(=O)=O)C3)C2)c1 1838583572 IOFXRLVALXPJEV-NRFANRHFSA-N 465.528 0.072 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCN(C)C2)CCO3)c1 1839066126 WOYJBNFTVMEGIV-YADARESESA-N 456.543 0.979 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1839174857 ALRXRBDHDMCFEX-ZEQRLZLVSA-N 487.509 0.687 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCC3CC3)cc1F)CCO2 1839243161 CKKOGSLFHWOXAJ-HSZRJFAPSA-N 460.458 0.773 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839372605 KIJBBWJQUDEJEO-JTSKRJEESA-N 450.488 0.447 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452631 ODYCHQDTCKMPBA-OFNKIYASSA-N 458.515 0.088 30 20 JCED CC[S@@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488363 NLPHAICBANTOMR-ULKXQASOSA-N 473.555 0.663 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839621209 IPYKNVFFCZHMRW-DENIHFKCSA-N 465.620 0.743 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1839890266 QTXOITXDTMQRDU-IBGZPJMESA-N 470.429 0.424 30 20 JCED COc1ccc(OC)c(C(=O)CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044040 IYESQPJDPPCPGC-DEOSSOPVSA-N 488.493 0.211 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCSC)CCO3)c1 1840197929 CKJIZXFSOPWPLQ-SIKLNZKXSA-N 463.556 0.751 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1840202051 WGKYAZYGOUAZHG-SFHVURJKSA-N 451.442 0.104 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1cncn1 1840421849 GLUHEMSUZCASSU-JTSKRJEESA-N 454.487 0.246 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)CCC(N)=O)C3)C2)cc1C#N 1840763352 XZEQOYJNJVUSNK-YADARESESA-N 487.557 0.008 30 20 JCED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818768 WNVMWQYODSBKLK-YADARESESA-N 467.526 0.926 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840843510 SCQBXVWTQZNPJJ-PMAPCBKXSA-N 465.547 0.084 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCO2 1840880692 FUXFSPQQVBTRHI-AEQAEVNRSA-N 488.541 0.745 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)s1 521776635 QQCNUENNMCGTNE-UHFFFAOYSA-N 480.637 0.208 30 20 JCED CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccn1 523178972 TVDPIZDFTODASD-UHFFFAOYSA-N 480.594 0.715 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1cnn(CC)c1 523578827 HBQAYQPGNFESOW-UHFFFAOYSA-N 465.535 0.931 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(=O)N(C)C 604472867 PPLMYCSPQHTNOJ-UHFFFAOYSA-N 450.923 0.818 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O 608910693 DOFZWNSCDHPFQL-UHFFFAOYSA-N 468.579 0.992 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2-c2ccccc2)c(=O)n1CC(N)=O 727160608 GKFUYAWKIBHJOW-UHFFFAOYSA-N 474.542 0.424 30 20 JCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCS(C)(=O)=O)c1=O 729671297 LFBFYGDZQWRHIS-UHFFFAOYSA-N 481.983 0.398 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCS(C)(=O)=O 729673304 XZIKWJWQFMSSOX-UHFFFAOYSA-N 471.963 0.776 30 20 JCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 729687533 PWAUCXYJYHRFSE-HIFRSBDPSA-N 457.530 0.069 30 20 JCED COCCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2cnn(C)c2)c1=O 838241900 INMKREZYKVMJEN-UHFFFAOYSA-N 467.507 0.203 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)n(-c3cc(C)on3)c2C)c1=O 838275722 CXNOPGMVKUWVBW-UHFFFAOYSA-N 497.577 0.622 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2CCOCC2)c1 918238330 ADQFLRJAKAMMQP-NKFKGCMQSA-N 451.549 0.276 30 20 JCED C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)c1 918274592 LIVUBQBTBYBHKU-UHFFFAOYSA-N 489.575 0.851 30 20 JCED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCN(C(C)=O)CC1 1297279949 OEGZHMIVYZKHEK-UHFFFAOYSA-N 467.578 0.572 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1314630901 MTLVUOQCMLTIIM-MSOLQXFVSA-N 458.567 0.186 30 20 JCED CN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)Cc1ccccc1 1314864016 KBEBRMMUXDRMAY-VQTJNVASSA-N 489.602 0.472 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1516976527 SZAAYQGHIBFYMZ-JOCHJYFZSA-N 455.588 0.895 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)N(C)C1CC1 1611705164 OCPJTIBSISAVOW-SJORKVTESA-N 487.634 0.964 30 20 JCED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1612653468 KRAPGIJXUFYUAK-NVXWUHKLSA-N 457.560 0.765 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1692796862 SWQHADNOYHOOGK-ZBFHGGJFSA-N 466.612 0.370 30 20 JCED CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1710336386 MZENKCUOVLMSIN-UHFFFAOYSA-N 466.546 0.917 30 20 JCED CCOCc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1728972981 ZMGZAWRJWVQOJT-UXHICEINSA-N 490.586 0.925 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCOC1 1741674469 DIMHVMGXMVYYQZ-JOCHJYFZSA-N 457.510 0.905 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(C)=O)CCO2)C1 1778922230 YERRFCOUOUMKEV-IERDGZPVSA-N 454.524 0.642 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1779020430 MLLXRRMAOMTMPJ-RZZUAFPKSA-N 483.529 0.594 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)cn2[nH]cnc(=O)c12 1779138688 DYIVBTTXFKWMIR-HCNSUOPBSA-N 452.471 0.487 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779319250 OMRUNFLHOIOQTF-JXQFQVJHSA-N 496.605 0.827 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2cnccn2)C1 1779470967 JIVIGYMUHKLPPI-MOKWFATOSA-N 459.547 0.700 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780339026 IEVTYYMZXLUYOZ-KSFYIVLOSA-N 474.518 0.099 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780933844 CUMDKOCQNQZKST-VFJYRVFXSA-N 491.570 0.250 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@@H]3C[C@H](O)CN3)C4)c2c1 1781206806 HRCYSPXELKEKHS-ULUCGAEXSA-N 452.515 0.285 30 20 JCED COC(=O)[C@@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)NC(=O)OC(C)(C)C 1782114419 BYABUFKOCVOYLU-CKNGIIGNSA-N 495.529 0.045 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@]3(C1)CN(C(=O)C1(C#N)CC1)CCO3)C2 1782851613 IIHMCOUQVRNSGV-HJPURHCSSA-N 455.515 0.756 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cc(Cl)ccn3)C[C@@H]21 1783531134 DVNOYYMLDSXZBG-VGMXOEHZSA-N 462.934 0.952 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H](C(=O)OC)C3)C[C@@H]21 1783533150 SBSVXTMWTATMKA-ZDSJIORTSA-N 461.559 0.804 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOCCOC)C[C@@H]21 1784505057 BFUAOVYNVULDEY-CMOCDZPBSA-N 486.606 0.644 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1784505295 MTUNISBYWAQDRH-MJUPKGCFSA-N 481.590 0.928 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1784784410 MGYGZLCKYBHASJ-SPOLIRPYSA-N 478.590 0.962 30 20 JCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCOCCOC)C[C@@H]21 1785019413 WCJDESWYJCKWAP-UFYCRDLUSA-N 474.620 0.582 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1785196290 NJPDSLYTJDVHKX-CVDCTZTESA-N 474.514 0.853 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1785598577 UPAJSZOOQDTWCS-JSMQRPJFSA-N 476.574 0.812 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]32)c(C(F)(F)F)n1 1787198957 OITDOCDZZXKHFK-DDWPSWQVSA-N 465.432 0.844 30 20 JCED COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631685 WDYNSCWNTXGUSB-ZJOUEHCJSA-N 458.559 0.821 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1788659840 VOPKURVOPVVASY-FXRWFHILSA-N 452.508 0.337 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079312 HXSSNIXZWUYCIE-FRMKIJSPSA-N 461.515 0.452 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)[C@H]2C1 1791102299 MCSJUEKKEIZHKA-XSLAGTTESA-N 465.547 0.836 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1792266720 CCKXEKKQOYTDKJ-DAWKRRPCSA-N 474.562 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C)C2 1792489324 QHEHUIKSKKPACW-ZDGQBVMCSA-N 490.601 0.937 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1792887634 UCGKHFHFINWEHU-KSWRQPAISA-N 456.540 0.263 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)C1 1792970841 USFOCRGBLDEIDZ-QMXWOIOXSA-N 451.520 0.694 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)nc1 1794427100 WQMHVPFGZCGDFQ-UPHUGPLXSA-N 475.567 0.387 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C3)c(O)n1 1794489821 JHSMILLFDWBHDS-GNNCWXLZSA-N 487.582 0.911 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795450723 FUVCAGXYGKISQP-VQQMMKBISA-N 490.601 0.895 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797740186 ZGTOTVULWORRJR-YZUNECIRSA-N 481.594 0.323 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1799366997 SXUNFZPDDKPPCY-RCJHGTSTSA-N 461.519 0.365 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)N2)C3)ccc1Br 1799708576 ZBSPESDIBSNTCF-KPEUIFRASA-N 461.316 0.803 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1800981949 TWPWXKVIWYWOCI-WBAHDQRJSA-N 457.593 0.512 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1804185299 BTYJXAAQRRKJNX-VGSWGCGISA-N 476.493 0.833 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1805022794 HCVOGOLMOCMROR-IERDGZPVSA-N 470.507 0.429 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)[C@@H]1c1cccnc1 1812425402 PHLFIWGDLRLWGY-NBMBROAQSA-N 476.533 0.811 30 20 JCED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1812667926 JKUGLWWASFRPNG-CZUORRHYSA-N 458.429 0.739 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nccnc1C(N)=O)CC2 1814982206 LGNXTRYANPPIIJ-NSHDSACASA-N 456.532 0.540 30 20 JCED Cc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)n(-c2cccc(=O)n2C)n1 1815855660 LRVPATBCAXTUNJ-CYBMUJFWSA-N 480.506 0.650 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818895610 XIHUYRXIFOCJLC-QAPCUYQASA-N 463.604 0.792 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)C(=O)Nc3cccnc3)sc2C1 1820043808 QUCGRFJRQDYIPV-WSROAFLRSA-N 454.512 0.947 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975540 YFCVKCCGBGNQCW-PMACEKPBSA-N 469.648 0.910 30 20 JCED CN[C@@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC#N)C2)C1)C(=O)O 1828990333 NPYVCKMSOURJBT-CYFREDJKSA-N 485.541 0.805 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCN2C(=O)OCc1ccccc1 1829023626 USBHWYXCANLVDP-JOCHJYFZSA-N 451.487 0.644 30 20 JCED Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n[nH]1 1829332654 UALVQUSOYORKNG-RUZDIDTESA-N 493.520 0.801 30 20 JCED Cc1n[nH]cc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334271 HDBCHFPHJJCPMJ-XMMPIXPASA-N 479.493 0.872 30 20 JCED Cc1nccnc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829335082 UDFHILRPMQPFPY-RUZDIDTESA-N 491.504 0.939 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2 1829636375 YFRSNLSEJWMHQI-JOCHJYFZSA-N 463.556 0.382 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCSCC4)CCO3)C2)c1 1829713412 MZAFUHSBXLEQMM-HSZRJFAPSA-N 474.583 0.686 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nsnc1NC)CCO2 1829756214 YMDGQOBVEYYESL-LJQANCHMSA-N 453.521 0.159 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccccc3C(=O)OC)C2)C1 1829763085 ZYADQTQXYWEZFT-RMZPIOGSSA-N 499.564 0.721 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1829770047 CKRUTBMSIKOGKH-BNOLWBGWSA-N 488.932 0.311 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CCN(C)CC2)CCO3)c(C#N)c1 1829894014 DWNUBEORTZXKTB-VWLOTQADSA-N 470.570 0.908 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1830568498 BFUCRKKCIVTNAP-XFQAVAEZSA-N 475.608 0.283 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)C1 1830716111 UYUAQRDQGQLJDF-YYELAMOYSA-N 481.546 0.561 30 20 JCED COCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1831382937 MCQYFKKQYAVXGI-QHCPKHFHSA-N 453.499 0.931 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1831396257 IGHVJMKUKDYODN-QMHKHESXSA-N 456.499 0.387 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1831426432 LOBPUAHUCKLXPQ-MBSDFSHPSA-N 455.515 0.928 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1831433794 YVRYNRYWICLJCT-FDDCHVKYSA-N 455.515 0.928 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1831434152 RGYNYEWVHXBFBE-JPYJTQIMSA-N 461.563 0.380 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831665655 JXSOIDCOVAQXKY-DLBZAZTESA-N 451.520 0.580 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832003831 DWSPHQXRBVCYRS-VWQFJMCTSA-N 479.574 0.784 30 20 JCED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)CCC1=O 1832369554 FEEZEAYMGDYTOF-XMMPIXPASA-N 467.526 0.555 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)c1 1833121294 CNKWKFXMICZAEH-HSZRJFAPSA-N 451.483 0.670 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833396424 IATXQXYWZSUPQA-KKSFZXQISA-N 467.544 0.146 30 20 JCED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)cc1O 1833401146 SYLJNVYBWYMGBE-HSZRJFAPSA-N 453.499 0.700 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834380570 AGLJBYKRUBWRRN-WZONZLPQSA-N 477.562 0.809 30 20 JCED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835628739 WXZZWHVYIVNDFM-JOCHJYFZSA-N 465.470 0.697 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1835677233 CIWVTILTOZRJRI-QFIPXVFZSA-N 488.570 0.108 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(C#N)cc3)CC2)CC1 1836287488 YTDWHUIZXGXZEG-OAQYLSRUSA-N 457.531 0.808 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1836472678 UALCIFXJQKQTAW-GCKMJXCFSA-N 475.608 0.283 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnc4c(c3)NC(=O)CS4)CC2)CC1 1836494033 ZCFQJIRLZKWPLZ-UHFFFAOYSA-N 471.539 0.399 30 20 JCED C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837439581 VKMHAOSMYVKYJX-CWJOQQPHSA-N 472.590 0.920 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837635639 COVLECWXJZIYKX-SHNIVAPPSA-N 475.542 0.482 30 20 JCED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)ccc1F 1837882382 ZBYDHRKDZDPLMR-NRFANRHFSA-N 473.549 0.831 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]cnc3-c3cccnc3)CCO2)C1 1838493908 IFAVXPZKGVOFNY-GAJHUEQPSA-N 453.499 0.580 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CCO3)C1 1839108569 KKKDMQKULUQAKH-GLDPYIMESA-N 479.574 0.637 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1839173733 IPXUZUUQNNDYSW-SANMLTNESA-N 499.564 0.998 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839183878 IFVIDVITDSPHQK-FDDCHVKYSA-N 458.515 0.919 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1839185299 WBSDOAXTUVHWQG-AOMKIAJQSA-N 478.550 0.734 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CCOC1 1839192297 UXKOCSFSZOGRKX-GOTSBHOMSA-N 480.562 0.676 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1839227823 LDIDCHVVLACTHB-BTYIYWSLSA-N 462.482 0.739 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1839421528 WLTHCVVIPDHMJC-HXUWFJFHSA-N 458.406 0.712 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839678094 PAHJGWFCWUKNGL-ANGWPBNBSA-N 468.595 0.950 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1)C(F)(F)F 1839893570 CCTVZNJXDZKQCG-IBGZPJMESA-N 469.420 0.520 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1840165793 KKCIEZTWGXCNNV-OYHNWAKOSA-N 459.524 0.504 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c1 1840192923 LABJDYDNQCKRPE-NRFANRHFSA-N 463.512 0.455 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1840548213 STWBMFFUUFQPAV-OAQYLSRUSA-N 468.959 0.583 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840906624 GISZEJWPAGFPCK-DVECYGJZSA-N 488.541 0.307 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(C)=O)C2)C1 1840909458 ZZNKTQVJBMIRIP-KDLAUNOPSA-N 479.574 0.975 30 20 JCED CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840910750 KRKIMCVJIWZINQ-ZHRRBRCNSA-N 467.519 0.224 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1841745633 NCTIWKSMFXGTIG-QGZVFWFLSA-N 484.619 0.390 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C1 1843409813 JVVBTMTVCGMPJX-QLFBSQMISA-N 477.587 0.909 30 20 JCED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1)NC(=O)OC(C)(C)C 1844298465 SHHBHDXHGZPYBM-MJGOQNOKSA-N 466.579 0.700 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnnn1 1847684224 DATMMWGHRUGVLM-UFYCRDLUSA-N 494.556 0.883 30 20 JCED Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 29172256 ITCORKYDIUKQHZ-UHFFFAOYSA-N 467.530 0.933 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522537851 QQEGQZPWVAQYRC-UHFFFAOYSA-N 488.616 0.695 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1-c1cnn(CC)c1 523183005 MGJWHMLIJKGHFQ-UHFFFAOYSA-N 465.535 0.938 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccc4c(c3)CCO4)c2=O)cn1 523861772 IPARVOGWJNPVKY-HNNXBMFYSA-N 479.562 0.704 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)CC1 589797335 GBGQAHGYVJUEAF-SFHVURJKSA-N 468.491 0.895 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Cl)c4c(c3)OCO4)c(=O)n2CC)CC1 590986634 LXWIGZNYWXRPKS-UHFFFAOYSA-N 474.970 0.979 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 608888643 PLDZBQCGQATAGE-UHFFFAOYSA-N 457.468 0.729 30 20 JCED COc1c(Cl)cc(Cl)cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(N)=O)c1=O 608910857 SPUPQCHLJYXTQP-UHFFFAOYSA-N 497.360 0.072 30 20 JCED CCOCCn1c(=C(C#N)C(=O)Nc2cccc(OC)c2)sc(=Cc2cnn(C)c2)c1=O 725764401 SNPFBBHFXWRLJX-UHFFFAOYSA-N 453.524 0.830 30 20 JCED CS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 726105401 BBJOKJJTTAEKLD-XOMICKMZSA-N 453.590 0.532 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1C 726577082 HVDIZBJIHRMVFD-UHFFFAOYSA-N 466.544 0.949 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ncn(CC(=O)N2CCCCCC2)n1 726786699 ZKKBBUKCKLLWQS-UHFFFAOYSA-N 459.532 0.748 30 20 JCED Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCS(C)(=O)=O)c1C 729671411 LWMAAJCICLCJIL-UHFFFAOYSA-N 470.576 0.691 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccccc2F)c1=O 729673225 JBTXOUBLJLZQAC-UHFFFAOYSA-N 463.556 0.655 30 20 JCED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 856694301 QNKKQFMKSBCOJU-INIZCTEOSA-N 472.527 0.563 30 20 JCED CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 913243052 PNASEOAQXRQNLK-GDBMZVCRSA-N 471.557 0.194 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 913732208 MIOVJQLBQFCDPM-VYDXJSESSA-N 478.571 0.795 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc3c(nc2O)CCC3)CC1 919304907 UNOSSZVXJJTGDL-UHFFFAOYSA-N 470.507 0.837 30 20 JCED COC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)OC 1301025850 JVXKRAFDZJDGOS-TXPKVOOTSA-N 456.569 0.402 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359076680 JKYGMQRDDGGHET-UONOGXRCSA-N 491.412 0.625 30 20 JCED CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CC1 1515892862 LDFJOGOBKRXVLF-SFHVURJKSA-N 474.635 0.828 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O)C1CCN(S(C)(=O)=O)CC1 1517044183 VNSDBQDQDLPVBT-UHFFFAOYSA-N 466.589 0.722 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1519164719 KZPWMBUUZAKQQX-JKSUJKDBSA-N 458.610 0.731 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)[C@@H](C)C1 1539579907 RXXBPIJIMOONDN-UONOGXRCSA-N 465.418 0.954 30 20 JCED CC[S@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1617445054 WSCPLTMKBYZRPI-MIKNWGHHSA-N 471.591 0.546 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1692784354 VEQOYYZYVGENFM-ROUUACIJSA-N 494.666 0.961 30 20 JCED CCCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1695204458 IYKRFOLPLNGHMO-IRXDYDNUSA-N 455.585 0.072 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1695910483 YNHGCMMOMYQIRV-ZBFHGGJFSA-N 466.612 0.227 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1711050292 RBDYIWNUJLXYKW-QFIPXVFZSA-N 456.503 0.175 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1729342720 SOLCSADDHHOWLM-KRWDZBQOSA-N 456.532 0.706 30 20 JCED COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1=O 1730779413 PTAJPRMNQASEPY-MJGOQNOKSA-N 481.557 0.891 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779311632 WSLUGDJAOGNOHG-IUKKYPGJSA-N 482.578 0.437 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N2CCN(C)CC2)C1 1780639041 WBUJOSFJCHWKIW-ZBNTXBBCSA-N 450.624 0.709 30 20 JCED CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)CC2)CC1 1780652527 CHVDAXSQJORQNQ-VHPLDVDOSA-N 491.633 0.809 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781349588 PMITZKGCISNITH-HYFFOGBASA-N 453.536 0.130 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781353311 KAQZDGANVKNCKD-DAOGTEBLSA-N 478.546 0.804 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C2 1781696881 MHWQPMOSFILWMH-HOOSLVGPSA-N 492.573 0.939 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 1783267870 GMILTJZDUZESCC-LLBQEJIASA-N 490.601 0.943 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1783535199 BVHMBTHCOKDHLP-IRAUWKARSA-N 452.511 0.775 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783634648 VIMKELRFYJCHFL-ZEEWTXFISA-N 475.542 0.844 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2)NC(=O)OC(C)(C)C 1783787506 QIRMNZJKOTTXGE-UZUQRXQVSA-N 489.529 0.786 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)CCO2 1783911822 AMEBAUABCCYSDW-XMMPIXPASA-N 476.574 0.699 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1785575062 XSZWFBMUKIFXKN-DVECYGJZSA-N 478.590 0.455 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1785595935 DYDPBGIUCBGIOJ-BQKRCXSJSA-N 489.529 0.801 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4nc(N5CCOCC5)ccc34)[C@H]2C1 1787176093 KMJJQAWUEXANQN-LNLFQRSKSA-N 481.557 0.709 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CS(C)(=O)=O)nc3)[C@H]2C1 1787251429 ZKMGBCMBRZSQMK-IHPCNDPISA-N 493.582 0.729 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787441395 DIBMPUGQMDTBPM-JKQORVJESA-N 489.529 0.398 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cc(Br)ccn4n3)[C@H]2C1 1788460373 VMWRQPIHCVWKTK-NUTKFTJISA-N 475.299 0.778 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1788601462 LHMBFIITXWFZBB-KVPCJWLVSA-N 464.592 0.240 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCS(=O)(=O)CC4)C[C@@H]32)c1 1790268859 BPGXKRXEEYYGCB-JBACZVJFSA-N 474.583 0.190 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)[C@H]2C1 1791036929 SZZHBJMUHRLDFR-LNZVGPJGSA-N 451.523 0.914 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C)c1ccc(O)cc1 1792630611 LFZSVHAJZHQUQX-XWQURZDVSA-N 456.543 0.750 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1793355762 QBRKJMXWMBDOMQ-ZSXDVEMLSA-N 467.563 0.803 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)N1CCOCC1)C2 1793832714 XYOAOVYUVUVZDH-UONLAYADSA-N 466.579 0.745 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)cc1C#N 1793946286 HFMIEWSQSFCBOW-CLWJZODNSA-N 469.498 0.147 30 20 JCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)c1 1796436174 KSHVRBXBSQAFNB-JHDGKUDLSA-N 474.583 0.506 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2)c1ccccc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c1ccccc1 1800858861 ZVOHZTIHRVJAHT-HATOLVCRSA-N 465.506 0.525 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)C1 1801980941 VBIMMTJWQJHVGV-APAFKAMOSA-N 476.574 0.888 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)CC2)CC1 1801989614 DRQSSBLUBDNVHV-NUZGMZIFSA-N 458.559 0.436 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801990086 QXPCLNNVVKMGJM-BMQTXXJKSA-N 488.541 0.412 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801992328 ZXSSIVXHPOZRFY-QKPAOTATSA-N 479.534 0.054 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1802127742 RMNVOQAHKXUFND-HLPPOEQASA-N 473.473 0.603 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C)C2 1802283150 PERXLUHUCMDMET-MHORFTMASA-N 481.594 0.992 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807950563 UVZDVOFDXZWUKC-BEFAXECRSA-N 480.485 0.037 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)nc3cccnn23)[C@H]1c1cccnc1 1811334516 OWLHQKSLSADKOR-TVTNDZMWSA-N 460.494 0.842 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]2c2cccnc2)c1 1811407916 UDGWJKKKNUWPMW-RBDMOPTHSA-N 464.526 0.874 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812391402 XLJGPMDVXRTPFI-AJGSBBHBSA-N 475.502 0.159 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367207 SKMLQLSCASEZHX-GFCCVEGCSA-N 451.464 0.936 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828570914 FZLPDAWMJPZWJS-CJAUYULYSA-N 498.536 0.441 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ncnn3C)CCN2C(=O)OCc2ccccc2)C1 1828665625 SWDWOSCXRUBGKV-UQBPGWFLSA-N 494.552 0.919 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1829260328 NZBTWMSLRXAJEQ-MBSDFSHPSA-N 475.567 0.752 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1829768882 KLBACGUGKUFWOS-VRWDYKOXSA-N 486.525 0.187 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2)c1ccc(O)cc1 1829958854 BRMALHJVSGZXID-YPCDYVTLSA-N 483.565 0.872 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1830061483 HBJPLVBMJCYCCR-STWLZBDKSA-N 470.570 0.628 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnccn1)CCO2)c1cccs1 1830963071 IQYOLDGURXNSBX-LFTXJPJQSA-N 456.524 0.976 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1831392421 DMNSCEISKNDQTO-JPYJTQIMSA-N 453.499 0.376 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1831401718 FVHALVCCBYGECN-NANGSVCXSA-N 485.581 0.117 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1831401805 GIQWKEPKWLIIPI-MHECFPHRSA-N 457.527 0.497 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831432544 AQOKWARXZSVYMY-STSQHVNTSA-N 485.578 0.310 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)CCO2 1832004264 UUCWNYGDJXYNSB-XMODTWTHSA-N 497.589 0.409 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832358342 YJLRNKRBAHVZTF-AOUJKTHWSA-N 477.602 0.807 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1832452923 JWAVCCCZNQDOTJ-QFIPXVFZSA-N 460.556 0.956 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1832454435 NXVGAFFCZNDTJH-NYHFZMIOSA-N 478.571 0.368 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)C=CC4=O)CC3)CC2)cc1 1833108160 IUQMUJPWGXINGJ-UHFFFAOYSA-N 463.538 0.597 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc4c(c3)OCO4)CCO2)C1 1835177569 DEYBXKZYESLPEH-MHECFPHRSA-N 458.511 0.843 30 20 JCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)N1CCN(C)CC1 1836374170 RENJFENMQWYLIW-NBHLSZMOSA-N 475.682 0.666 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1836472680 UALCIFXJQKQTAW-QYWGDWMGSA-N 475.608 0.283 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1836859700 WZIOZPDKICZIBL-SFHVURJKSA-N 469.604 0.449 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837296882 LWHZQLKWOJGRQR-RSXGOPAZSA-N 497.548 0.876 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)ccn1 1837562723 DPMNLARXBCJVCJ-AMFJNGDOSA-N 469.498 0.822 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1)c1ccccc1 1837615233 DJTNJUHNJPBJJH-YKSBVNFPSA-N 457.527 0.996 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)Nc4cccnc4)CCO3)C2)cc1 1837630349 RLLRFZNHPNFWSP-DEOSSOPVSA-N 463.494 0.856 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837700514 QWALEYFUKVHDDB-QMHKHESXSA-N 456.499 0.328 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838118645 SRVXBMRBTUVEHE-SYGXVLRESA-N 498.540 0.866 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838165867 ZHYLFJMJLGHCIR-AXDLBROPSA-N 451.474 0.902 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838952767 IGGFIKKUEDQLLM-QPPBQGQZSA-N 480.525 0.099 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839101264 LTFIZCACONBXPZ-FSBGXSNOSA-N 453.511 0.717 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1839129917 PBUDUZDTAWGCCB-JXQFQVJHSA-N 481.590 0.911 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1839174802 XTVBBXKNTZQLAQ-DEOSSOPVSA-N 483.525 0.847 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)N1CCN(C)CC1 1839362866 UIIXXLJCAHUSGJ-CJFMBICVSA-N 469.586 0.459 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839364323 YNCZEMJRLITKIK-RUZDIDTESA-N 489.569 0.892 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839552077 FQAHOELTKBBESZ-ALUBYUQESA-N 471.514 0.933 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839693124 LMBDVDUOZHJWOW-QBXUWSICSA-N 481.553 0.552 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840319037 NLEKAKIXCQRQEB-ZHRRBRCNSA-N 484.550 0.268 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CSc2nc[nH]n2)CCO3)c1 1840378939 NSXKWNAICDQURT-QFIPXVFZSA-N 470.555 0.858 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)cc1C#N 1840762857 SWSAMUGYFNHHDD-OSPHWJPCSA-N 472.542 0.927 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1840819614 WEPTVOAHLXAARD-XMMPIXPASA-N 476.493 0.979 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840909347 XYLZUITXBLOIER-MBSDFSHPSA-N 490.561 0.041 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)CCO2)C1 1840945111 MZPSCCRKPJILII-UZUQRXQVSA-N 499.580 0.975 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1840959476 RGSCZASURLEXCJ-UZUQRXQVSA-N 478.546 0.382 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842809819 AJEGGWAZSBETHH-HNNXBMFYSA-N 462.551 0.835 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CN(CCO)CCO)C3)N(C(=O)OC(C)(C)C)C1 1846449920 FYFSPPHOVGDIMY-SFHVURJKSA-N 466.579 0.042 30 20 JCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)C2=O)cc1 10682043 WXEUXARFZYPUFS-XMMPIXPASA-N 495.492 0.846 30 20 JCED Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 18039197 FZDHCMIPRAHRLB-UHFFFAOYSA-N 454.516 0.271 30 20 JCED N#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 500200323 RXGCGWPQWRMGTD-UHFFFAOYSA-N 463.541 0.422 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 516041670 JDJCMUQDISLGAY-UHFFFAOYSA-N 481.484 0.816 30 20 JCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 518035531 PJGZKGMKUVIWMB-ATZDWAIDSA-N 458.540 0.955 30 20 JCED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 518154260 LBSSYQZZXTTXSA-UHFFFAOYSA-N 486.550 0.969 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc3c2OCCO3)c1=O 522277886 OKMGQVHNZNYBKV-UHFFFAOYSA-N 473.551 0.373 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCNS(C)(=O)=O 589160245 IMGPIVYNJMTRML-CQSZACIVSA-N 477.608 0.894 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 609074850 QXMRWQMITYYSJQ-UHFFFAOYSA-N 466.485 0.298 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2/S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cocn2)cc1 730724438 LWWADHFCOSLZTA-YGCDDZCOSA-N 463.541 0.991 30 20 JCED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC(C(N)=O)C(N)=O)ccc1Cl 875739161 WCCRTVHORNZXHF-UHFFFAOYSA-N 450.904 0.790 30 20 JCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)C[C@@H](C)O1 915778038 TZKJOLVRYHMAJN-IYBDPMFKSA-N 486.554 0.918 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H](C)c1ccccc1 917794972 ORVVDTMZJYVNCI-HZPDHXFCSA-N 451.552 0.907 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 919662813 KWCKLFMEBJHLKY-UHFFFAOYSA-N 476.536 0.530 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1=O 921049024 GUFOXPKWFVZTSJ-UHFFFAOYSA-N 454.531 0.371 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1288249094 LWMDZQRUQGYPET-UHFFFAOYSA-N 473.603 0.898 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1302475749 WTPJFQQWAGURBC-UHFFFAOYSA-N 460.560 0.830 30 20 JCED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1314886572 RHFPAQKKBQSSKK-MRXNPFEDSA-N 466.589 0.579 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359084541 LBVQZBBRCFTKLK-CABCVRRESA-N 488.408 0.916 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1359084707 PHAFNAMCNBJLHA-ZDUSSCGKSA-N 450.359 0.746 30 20 JCED CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1505146898 OXYZKHUWJVILFT-GOSISDBHSA-N 473.559 0.513 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1692786535 VHGGNPZUBKUSSR-CJNGLKHVSA-N 462.573 0.688 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CCO1 1711368985 SDVVBSFLPQOEBV-RXVVDRJESA-N 483.573 0.648 30 20 JCED COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1712330011 XUBLYDIHTXCSES-OAQYLSRUSA-N 478.575 0.598 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760300907 OBWQNCSQSBEOKQ-RYUDHWBXSA-N 485.430 0.315 30 20 JCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OC(F)F)c2)CCO1 1771537335 MGNDWFWOFHSSGZ-KGLIPLIRSA-N 454.459 0.954 30 20 JCED CC(C)(C)OC(=O)N1CCc2onc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2C1 1778368463 XKHNIFUQAYQGSY-HSZRJFAPSA-N 488.497 0.499 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1778376454 MOIGAWJBZDZOBC-QFIPXVFZSA-N 458.519 0.991 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1778920491 ANRQFAIXVQZEFY-UZUQRXQVSA-N 493.561 0.926 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NNC(=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1779312054 LWRYLVCHTQRQGD-HOOSLVGPSA-N 489.573 0.942 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779423201 ISHJCIAJHGUDKM-OAPWTZPSSA-N 469.608 0.513 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779423238 JMADQBWZOFCYNX-UWSQDDABSA-N 462.551 0.957 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(N4CCN(C)CC4)CC2)CCO3)c1 1780172871 ISUDCINUAVLWJU-XMMPIXPASA-N 467.570 0.790 30 20 JCED O=C(Cc1cn2c(nc1=O)SCC2)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1780542903 GMPYKXOBFQVLIV-WZONZLPQSA-N 456.568 0.819 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cc2C1 1782560502 JUZNBKZTOMAEBM-DGEAWOGYSA-N 457.579 0.634 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1782852582 XVXGAONKSVKUGJ-GGUMNFRJSA-N 472.542 0.490 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1784438828 LXPUPZGLWVGLQP-UHMOLFJZSA-N 482.002 0.999 30 20 JCED CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCOC1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787515392 WWLPUPJJCDHKHR-FKSLSLAPSA-N 493.557 0.374 30 20 JCED NC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)cc1 1788661918 ZWXOLYGQTVJHQT-MZWDZAOCSA-N 458.515 0.908 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/C(=O)NCc4ccco4)C[C@@H]32)c1 1789344704 UGDZDIAAUGZKBH-JRHQIYRYSA-N 451.483 0.945 30 20 JCED COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789840083 XYAFIONTJMUMIX-VDGAXYAQSA-N 475.567 0.995 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1789904187 HEPRKRULBCLWTN-SPOLIRPYSA-N 466.579 0.960 30 20 JCED O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1790652318 KNXUSSLWPDBJNJ-ZJOUEHCJSA-N 464.478 0.788 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)[C@H]2C1 1791045006 UNKRJYOMTZNQKQ-DTXAGUPXSA-N 462.547 0.762 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21)c1ccc(O)cc1 1791331222 LWKVRCAFRABYNW-XYYCENQHSA-N 455.511 0.977 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCn4ccnn4)[C@H]3C2)c(C#N)c1 1791647997 QNHVNMZJNFAYGD-YYWHXJBOSA-N 452.515 0.771 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1793351842 WXHDTLUVHCSMHS-XEMDLRDOSA-N 471.514 0.865 30 20 JCED Cn1nncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1794228575 OYNSQJCZCUATHI-ALXJQNPVSA-N 487.561 0.559 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCN3CCOCC3)c2c1 1795470729 DTFUSPPUTXRSLT-UPHUGPLXSA-N 452.515 0.360 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796080170 BLXLDFHHSFBXLQ-RMRDIRSESA-N 466.560 0.630 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1797789222 BOSFWOUAUBODRM-JSJNYSNDSA-N 483.481 0.133 30 20 JCED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799062881 YEDOFEJMJGIKHF-JNNRSPCRSA-N 474.583 0.643 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1799232262 XKBQSKWPTFXPMG-WPVAHCMFSA-N 460.575 0.801 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1799322458 KFPYRILZSNBWSX-OGJJZOIMSA-N 464.563 0.572 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)c1 1800299561 RPRPXBUVMYJHRU-HUMDQVGNSA-N 463.538 0.725 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(n3cccn3)CCN(C(=O)OC(C)(C)C)CC1)C2 1800456054 JSYGVTZDVOSGIK-OPVJXMOQSA-N 471.558 0.832 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N(C)CC)C2 1802128127 OSBRNMRRXSCGBB-QTMHVTGLSA-N 450.580 0.833 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1804193579 CRLYPGYJTNFWJN-AZDINULQSA-N 490.630 0.290 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CNC(=O)c3cc(C)on3)CC2)C1 1804856031 IMIIIIPUVZAEFI-WAYWQWQTSA-N 457.531 0.802 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1814207189 FKSMEDAATQDZFF-ZWOKBUDYSA-N 482.541 0.880 30 20 JCED CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2)C(=O)O 1815080134 DNKBCSPXFHIJIG-OGNGVLKASA-N 453.521 0.647 30 20 JCED COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1820191392 HGYQSZAFLFADSA-YPNKTTMOSA-N 467.548 0.735 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)C1 1822465682 WRSULUMPYBDWAP-OYHNWAKOSA-N 475.502 0.862 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCN(C)CC4)cc3)CCO2)C1 1829693676 RVNGAOOHGXAWKB-LVXARBLLSA-N 484.597 0.547 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1829764869 YHTZCODTRJBLNV-IYZQMXKPSA-N 457.531 0.076 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1829766262 OSGSBEBZDXVZCV-YLNCNTMDSA-N 457.531 0.217 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)C2)cc1 1829898576 JXEWVQWNLPCNTF-IBGZPJMESA-N 487.406 0.912 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830059713 DNQAVYODRKFZDY-ZHRRBRCNSA-N 468.551 0.268 30 20 JCED CC(=O)c1ccc(OCCCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1830893645 HPFJEFWBMFJXAH-DEOSSOPVSA-N 472.494 0.593 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1831396491 MWGGBDDSSJNBHY-QMHKHESXSA-N 457.483 0.126 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1831482049 CITDPOFTADKWGT-BSRJHKFKSA-N 499.630 0.976 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1831997919 IEDUJIGDSWSRHR-ZHRRBRCNSA-N 478.550 0.355 30 20 JCED CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)no1 1832788807 GYJNOZQOLAHVRW-IGPUNGKJSA-N 462.551 0.664 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1)c1ccccc1 1835539306 HPDZTYDFMGLMTC-NFBKMPQASA-N 493.497 0.365 30 20 JCED Cc1ccn2ncc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)c2c1 1835675199 WWWCNYAPXDLSRA-DEOSSOPVSA-N 468.558 0.995 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1835677163 JZRNUMWEJRKOJG-QFIPXVFZSA-N 455.519 0.081 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835681055 OAHZECUXEMZHLZ-XMMPIXPASA-N 469.542 0.675 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1 1835717797 LZLGENSBVDOTOF-HXUWFJFHSA-N 489.573 0.901 30 20 JCED O=C(C/N=C/c1ccco1)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837079667 WHRKIBSNNCEYKT-LFVJCYFKSA-N 494.614 0.428 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1837208780 NJQUUYLQKASNJY-KNQAVFIVSA-N 483.638 0.558 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1837441222 XNXHPXZFXCCFPV-OVRHDEQLSA-N 465.938 0.982 30 20 JCED CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)C1 1837531103 CSYBISUDUOHLFL-VWMTZVMLSA-N 452.552 0.314 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1837563068 IYFMICZUYDHPTN-YVABFXQFSA-N 457.487 0.448 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1837565105 LAACCKSDJOZVQL-YBWSKRLUSA-N 455.511 0.759 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1)c1ccccc1 1837613173 XMQVKOMXLXPQHG-NFBKMPQASA-N 493.497 0.365 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742306 CKYYAWLIYPMOFQ-RCZVLFRGSA-N 497.527 0.843 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)ccc1F 1839187665 QFMSQFQGAMFSRX-HSZRJFAPSA-N 483.456 0.498 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(O)n5)C4)C3)c2c1 1839487611 OWJZQTVIMRFQND-HSZRJFAPSA-N 462.466 0.919 30 20 JCED Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n1 1839487971 OLRLEYAMSDERKV-QFIPXVFZSA-N 465.470 0.439 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3cc(C)ccn13)CCO2 1839601004 ZQTBTKKFNLFLFQ-WRAFWBCBSA-N 467.526 0.571 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3cc(C(F)(F)F)ccn13)CCO2 1839617825 WMPFWXLZOHMRFC-HXUWFJFHSA-N 480.399 0.511 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839622749 RVHQZADYSUIYRV-JPYJTQIMSA-N 476.578 0.590 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1839664584 BHXVUGWQOXCZBF-JOCHJYFZSA-N 455.446 0.024 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)ccc1F 1839670112 QWCDTCIMABLUKJ-QHCPKHFHSA-N 485.472 0.271 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc(OC(F)(F)F)c1)CCO2 1839799959 IIKBJEWUUDXMGS-HXUWFJFHSA-N 470.400 0.672 30 20 JCED COc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)ccc1[N+](=O)[O-] 1840163722 XQNGIAGEKCOGLH-JLTOFOAXSA-N 453.517 0.921 30 20 JCED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840199392 YUCZVTHMVLGLAP-GCJKJVERSA-N 454.589 0.255 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1840293609 LVPLMOLVJYAWNO-VWLOTQADSA-N 492.536 0.834 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2)c1cccs1 1840409657 WKVWBWZFNNOVOT-IOUFHMPJSA-N 472.523 0.812 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc([C@@H](C)C#N)c2)CCO3)CC1 1840714999 OAPOJIWEKSGADS-RXFWQSSRSA-N 497.596 0.548 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c2ccccc21 1840814116 PIBASCBFKRWZGR-XMMPIXPASA-N 467.526 0.490 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1840907225 QUVBPMIKTNBLKC-MHECFPHRSA-N 489.573 0.715 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(C(=O)OC)cc3)CCO2)C1 1840957608 KWUVAPCCDOMUMQ-UUOWRZLLSA-N 476.526 0.900 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1840959284 DYSBIUFYKJRKBH-VGSWGCGISA-N 466.535 0.382 30 20 JCED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1841627318 SIOKLUKDKQQQQE-INIZCTEOSA-N 464.613 0.999 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H](O)C2)C1 1843845620 XXYLPPDEMBMWLN-BBWFWOEESA-N 480.562 0.766 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COCCO)C2 1844215491 MJASGCRSXZUKJI-MRXNPFEDSA-N 484.550 0.004 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1845222196 RTJFQMWXNIJIQR-MRXNPFEDSA-N 451.568 0.747 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c1=O 523090221 MXKMTDZXESVEMR-MRXNPFEDSA-N 499.589 0.640 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3csc([N+](=O)[O-])c3)c2=O)cn1 523580793 HRFQPXJLVPHAHS-UHFFFAOYSA-N 488.551 0.741 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCNS(C)(=O)=O 524281894 FQZYMIFVGUATDM-UHFFFAOYSA-N 451.545 0.716 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c1=O 610487051 BIMQQVZFRRENRC-FUHWJXTLSA-N 468.579 0.764 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCS(C)(=O)=O 729671875 WKEYSURYVNBDMV-UHFFFAOYSA-N 482.605 0.086 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CCS(C)(=O)=O 729673295 XQJMJMZSASPWAY-UHFFFAOYSA-N 495.966 0.142 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 769843409 PLLAGCWYWINCHU-NSHDSACASA-N 498.439 0.940 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CCOC 838248589 OWPHRDCEYQZMAE-UHFFFAOYSA-N 479.942 0.594 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc4c(=O)n5ccccc5nc4n3C)CC2)o1 915376986 JVTPVKVHMNQGDM-UHFFFAOYSA-N 475.465 0.860 30 20 JCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 916965441 MEKMVCSWLNZCDI-INIZCTEOSA-N 474.495 0.778 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)C[C@@H](C)O1 1115913550 PNOMSVOLQVEFKO-ZHALLVOQSA-N 475.571 0.409 30 20 JCED COC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1301025848 JVXKRAFDZJDGOS-FCEWJHQRSA-N 456.569 0.402 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NC2CCCCC2)C1 1316354646 GZAYIUSPAILTAF-OXQOHEQNSA-N 483.570 0.502 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2=O)cc1 1318036167 ODBILTLPJMGJRB-MRXNPFEDSA-N 467.507 0.670 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CCO1 1508380556 VMOSQSUDMBXGJG-OAQYLSRUSA-N 453.547 0.880 30 20 JCED CCN(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1515719931 XITRRKUQUVWSAT-AEFFLSMTSA-N 452.629 0.795 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1547765402 XAKUOJDJVYFXSH-IBGZPJMESA-N 485.614 0.900 30 20 JCED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H](C)O1 1555389635 RDGBMGUHSRICTM-APWZRJJASA-N 475.571 0.997 30 20 JCED N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1555992256 LRGSMKGZFXABBP-HNAYVOBHSA-N 469.470 0.825 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1613558841 OFQWQZZTILRZQH-KUHUBIRLSA-N 455.560 0.920 30 20 JCED CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1617396304 VBWOHAOZADILON-FQEVSTJZSA-N 473.603 0.915 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 1618176803 VZZIUNWGUFDFON-MSOLQXFVSA-N 456.572 0.947 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1643325494 IVTPZZJULKYNFV-AWEZNQCLSA-N 452.533 0.867 30 20 JCED CCN1CCN([C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)CC1 1695896371 SGVRGORAICOHJS-FQEVSTJZSA-N 487.630 0.990 30 20 JCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCS(=O)(=O)CC)CCOC1 1696092553 UDVNGYRJQHVPDS-XLIONFOSSA-N 452.581 0.541 30 20 JCED CC(C)CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1706444668 LJIIOCDOAMHJLN-UWVAXJGDSA-N 470.596 0.527 30 20 JCED CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1723090200 QXEXJDFUGXDFNM-KRWDZBQOSA-N 452.519 0.715 30 20 JCED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c(=O)n1C 1724359696 WLGOBJGRGUBEOD-YOEHRIQHSA-N 463.564 0.262 30 20 JCED COC(=O)N1CCC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CC1 1729788575 VHOMZPVNKORSCA-DOTOQJQBSA-N 483.595 0.828 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1749259019 IXGOUPMXTLFWPO-UHFFFAOYSA-N 494.600 0.712 30 20 JCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1763112537 QPJBOBNJPDDDHJ-HZPDHXFCSA-N 459.580 0.499 30 20 JCED COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1768585531 RUCUXXAQQRZKAK-RXVVDRJESA-N 461.544 0.350 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1768638708 UAIKPTVJXJFXGM-LJQANCHMSA-N 472.571 0.937 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777866872 BEOMVMJTLVBCIO-XMMPIXPASA-N 470.526 0.830 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCS(=O)(=O)CC1)CCO2 1778998610 GJYODEYEVPFEHJ-JOCHJYFZSA-N 483.707 0.598 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779106128 XIDGTNXBDSIXSR-HTEBNOLWSA-N 484.550 0.231 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1)c1ccccc1 1779190430 HFYDYJOGEOPJRJ-NTKDMRAZSA-N 455.511 0.557 30 20 JCED Cc1c(C(=O)N2CC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)cn2[nH]cnc(=O)c12 1780016716 NXJRBDYUOOYKDR-DEOSSOPVSA-N 460.494 0.889 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780923148 QZJMCLNOTOONSJ-CMJOXMDJSA-N 474.583 0.883 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1781293743 APVMHKHPURLXQC-VAXXYWNWSA-N 496.605 0.326 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)N1CCN(C)CC1 1781299254 KHDCJZZOQTVBGJ-HOYKHHGWSA-N 457.550 0.706 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)C1 1782037003 MEJDTNBKQLYEML-FUQIYGJBSA-N 493.601 0.909 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1782152132 PNXNOODRGTVVAA-QFIPXVFZSA-N 480.562 0.955 30 20 JCED CC#C[C@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2)c1ccc(O)cc1 1782259413 NKOAKSCLINHTKG-RKCWLVDCSA-N 484.597 0.996 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1783132390 YSSWYKBARWCVTP-AUSIDOKSSA-N 454.531 0.291 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C[C@@H]2OCC[C@@H]21 1783535441 DETGYVOJJSQGLP-REYXVDKWSA-N 491.541 0.319 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783835518 HYGFTXVNDZZAQJ-BXTJHSDWSA-N 493.648 0.463 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1 1783919895 QDNYBARAVWDJTE-TXJVSEOTSA-N 463.918 0.736 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1784478286 YWGBYBNLPFLZKT-FKSLSLAPSA-N 467.563 0.280 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1785378846 UBESLACHFWWHTR-DEOSSOPVSA-N 455.559 0.404 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1785573656 XPYFFCNSIGFTJW-QMHKHESXSA-N 473.530 0.845 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1785577116 QCVMSUQZNAVQJN-MHECFPHRSA-N 476.574 0.745 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1785578484 ZSVFFSZEAZHUGE-JPYJTQIMSA-N 459.547 0.709 30 20 JCED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)n(-c2cccc(=O)n2C)n1 1786694659 ZNPUHYHOZOSFNK-LNLFQRSKSA-N 464.526 0.777 30 20 JCED O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1)c1cccs1 1787432147 QCALQNIMVDCVLO-HOMWOOPLSA-N 458.496 0.982 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C)cc(C#N)c4)C[C@@H]32)CC1 1788248335 HZRYJUIHXKSEOS-PMVMPFDFSA-N 467.570 0.624 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=S)NC)[C@H]2C1 1788616004 XIZWFVBTYFRDQA-FJIDUMEYSA-N 495.646 0.367 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1)N1CCN(C)CC1 1790329334 CUBFAZJOLWZAMX-NTPMHYTDSA-N 479.585 0.664 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1790586427 PAPBOVLJLGQTNV-AQSRVODESA-N 487.557 0.709 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791351604 WEMDQPADONAFKE-VMXHOPILSA-N 476.574 0.409 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1792258194 XMYIKQVLRKQJNE-FJIDUMEYSA-N 497.556 0.634 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]21 1792258477 GNOBCGVVDSUFBC-ADVLRGOMSA-N 461.559 0.775 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 1792261740 NJNRRVVSKKCZKE-OKYOBFRVSA-N 459.547 0.779 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1792795344 JGSWMESEFXBTRX-OIWXBPFHSA-N 499.630 0.276 30 20 JCED CCCNC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1793256640 WSHTXDBSNMEJQG-VPTLXERWSA-N 452.515 0.944 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3CC3)[C@H]2C1 1793261175 AXLCPIRDGZASFY-IGKFWFGWSA-N 473.570 0.871 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCN1C(=O)c2ccccc2C1=O 1793866493 MHWURHBUDCXLOX-AYMMHLMVSA-N 467.522 0.691 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795390459 ASOYOJSSXYWBRI-AIYVTKCESA-N 484.553 0.726 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)nc2n[nH]cc12 1796052230 SKMWGLUHHYAXDE-JCXHYCBLSA-N 458.906 0.673 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1796448460 UFSGKOYTOLTCPL-BPNQKZMOSA-N 479.605 0.937 30 20 JCED Cn1ncc(I)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1796746378 PPCJWAQQJNTMSQ-YWVIFJGQSA-N 468.295 0.641 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C 1799396019 NGVQKLMMILLDPR-OGJJZOIMSA-N 498.577 0.833 30 20 JCED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)cc1 1799641767 LMAGTWITOFYXTM-HGKCTWBKSA-N 469.523 0.421 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cccc(-n2cncn2)c1 1799774862 AWZGWLKZOQSALV-FSHWOVLXSA-N 468.514 1.000 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)O)C2 1802140764 IYBAUVBESBPPGG-XYKMGWITSA-N 483.587 0.863 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1802392481 KTUNZTLLPDBDMG-BVAGGSTKSA-N 479.581 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2)[C@H]1c1cccnc1 1802485001 ZXPAMVRXQYWARN-PLVIEQCCSA-N 462.510 0.980 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1812344550 JGBQWABUOHTCQA-PGRDOPGGSA-N 453.499 0.854 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(=O)n5[nH]nnc5n4)n[nH]3)c2c1 1817816378 IHPLRAMUNIZFON-INIZCTEOSA-N 498.467 0.903 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1819427105 ZHBOLZZELROIKK-GHTZIAJQSA-N 459.547 0.751 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3CCS(=O)(=O)CC3)CC2)c1 1824977600 ZPSLVTOPFWQZAN-FQEVSTJZSA-N 461.588 0.850 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)O)C2)C1 1828584148 WYWPKDOGBSZKAQ-KHCICDEESA-N 457.527 0.858 30 20 JCED O=C1NC(=O)[C@@H](CC(=O)N2CCC([C@H]3CCCCN3C(=O)C#CC3(O)CCCCC3)CC2)N1 1828945344 REASUJIYSZZJPE-RTBURBONSA-N 458.559 0.903 30 20 JCED CC(=O)NCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829311149 MMCLXSUJMCGQFN-QHCPKHFHSA-N 455.515 0.878 30 20 JCED CC(C)(C)[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330641 NAVPJDGVHJXPPZ-BWKNWUBXSA-N 485.537 0.934 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cc1 1830218623 YEMJXEVKAUBKSZ-JYFHCDHNSA-N 486.565 0.884 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)CCO2 1830957817 UEEXRGWEQZLIJC-VWLOTQADSA-N 485.585 0.962 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(F)F)cn3)C2)C1 1831391247 LADGQKVDELQGKI-VFNWGFHPSA-N 453.442 0.791 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(C(=O)OCC)ncn4c3)C2)C1 1831392412 DJSQVAJVFOUEHS-IQGLISFBSA-N 498.536 0.619 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1831397542 SDGUCARWBHSOAM-HTAPYJJXSA-N 453.536 0.394 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)C1 1831402211 QMRGBGPURIENLI-IBVKSMDESA-N 499.564 0.750 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1831407434 ZKPMKHMMEGKQDV-LUQKVYGDSA-N 468.576 0.228 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831472859 WNWDYEVSWZMDQK-WMWRJIBUSA-N 463.556 0.858 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1831999150 XHPPDQAQGVNFJE-SEPYTNNBSA-N 480.562 0.191 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1831999753 BVIFYXWEFRBQCC-JTSKRJEESA-N 463.535 0.949 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833396903 QWTIYPURRVSLBS-FXAWDEMLSA-N 471.601 0.510 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](S)C(C)C)CC2)CC1 1833488435 DNHAOEIZJFIBJM-YJBOKZPZSA-N 462.682 0.840 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)c(O)n1 1833698829 NRYLXAOYCSSALE-JOCHJYFZSA-N 457.487 0.718 30 20 JCED Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1833844381 LHKPYKGZORYERP-HXUWFJFHSA-N 489.330 0.833 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n(C)n1 1834163820 OJFCNBZWUSKOTP-QHCPKHFHSA-N 463.498 0.860 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834603133 FKZPDHPCWRBNTH-SFHVURJKSA-N 490.605 0.630 30 20 JCED N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccccn1 1835701628 KYXVTMIZVAQCDK-NADYJBGLSA-N 461.519 0.067 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767567 DSEOHVZOJOBLDU-KTUMRIBQSA-N 465.595 0.954 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)n1ccnn1 1835768301 XRQILBUMEADFJR-AJLCXVFNSA-N 461.567 0.940 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2)NC(=O)OC(C)(C)C 1836141183 ADUMNSDJIGSVNU-MBSDFSHPSA-N 492.577 0.594 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836479124 AGJNLTGTYGXYAO-GLDPYIMESA-N 478.590 0.830 30 20 JCED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837079160 HJBBGYWDEWJFNU-GOSISDBHSA-N 455.621 0.928 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837195900 CDVKYYYHIHUQGZ-DEHLXGDFSA-N 472.502 0.557 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)c1 1837319836 JBVZEPPMRNFIDA-IBGZPJMESA-N 473.379 0.873 30 20 JCED O=C(NCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1ccc[nH]1 1837440833 AJWMOXNYOOHWIP-XQQQEEOESA-N 474.562 0.063 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)o1 1837531888 ZKVIFNKLFORFOZ-IFXSCVBMSA-N 478.502 0.837 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1Cl 1838595332 NKSLUNPFXGLPFD-OAQYLSRUSA-N 462.890 0.734 30 20 JCED CCOC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)ccn1 1838719977 JDAIKQZHXHEEAU-ZDXRRBIGSA-N 487.557 0.800 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CC34CCCN3CCC4)CCO2)C1 1839118892 VUWOMPBYOHHEHD-DEOSSOPVSA-N 463.575 0.971 30 20 JCED CCC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131220 SGLMWUQMWXDEBW-XMMPIXPASA-N 492.573 0.963 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C3)C2)c(C#N)c1 1839131533 JRPDVABBMUHXSQ-GAJHUEQPSA-N 493.582 0.246 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839364324 YNCZEMJRLITKIK-VWLOTQADSA-N 489.569 0.892 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2 1839442415 BJRLOAFXPKLWGZ-OAQYLSRUSA-N 497.474 0.918 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#Cc5ccccc5)C4)C3)cc2C1 1839621780 QRNJMBUUIFQTBJ-SANMLTNESA-N 477.565 0.840 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839666117 REFPSVIQADDCHI-YADARESESA-N 474.558 0.639 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840018283 DUZNSHGMXMNZTG-FRGQSVFDSA-N 499.630 0.643 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccc3C(F)(F)F)C2)C1 1840040904 DSGDXGZVPZVGNK-HXUWFJFHSA-N 469.416 0.577 30 20 JCED Cn1cc(-n2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c3ccccc32)cn1 1840042855 QYHYTAQZNTWXAQ-RUZDIDTESA-N 491.504 0.522 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)C(C)(C)S 1840110784 DGVIIYSWHMQFGU-IIBYNOLFSA-N 470.592 0.958 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC)C2)C1 1840156543 QMUQQSAHVMGBQT-GAJHUEQPSA-N 498.577 0.658 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840550361 SHFUKGHOYVWHEU-OAQYLSRUSA-N 467.519 0.131 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1840818560 JFMMFEGYHSBBQM-VWLOTQADSA-N 490.520 0.838 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842088549 WDBYZUJYGQEOHD-QGZVFWFLSA-N 456.499 0.809 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)cc1C#N 1846877790 GXMZXRUQVHHWEZ-UHFFFAOYSA-N 450.432 0.887 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 24732985 FASAGEFSELMINO-UHFFFAOYSA-N 485.478 0.725 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(-c2ccc(F)cc2)c1=O 502059342 WXAMKBPNYDGBKT-KRWDZBQOSA-N 453.499 0.570 30 20 JCED Cc1nc(S(=O)(=O)NCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1C 511728614 VPADLMKMVUEARW-UHFFFAOYSA-N 456.532 0.395 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1 515622717 ZZUQCHFTJQYZKV-UHFFFAOYSA-N 498.605 0.221 30 20 JCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522538955 XQHAYLBRDIUBRT-UHFFFAOYSA-N 499.618 0.847 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C(=O)OC)c(C)o3)c(=O)n2C2CC2)CC1 591000316 ZRAYHSZFAQTZPI-UHFFFAOYSA-N 470.551 0.600 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccsc3)c2=O)cn1 608884105 SJRBPGLCPZORFY-UHFFFAOYSA-N 454.533 0.726 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 728532569 CBSWAWXJLYKYNT-UHFFFAOYSA-N 478.479 0.253 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCS(C)(=O)=O 729674080 AVTSALSJPLSBEB-UHFFFAOYSA-N 463.581 0.382 30 20 JCED N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1I 731244238 KZHPUXDMHDZYFQ-UHFFFAOYSA-N 493.279 0.109 30 20 JCED C=CCc1cc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc(OC)c1OC 805821389 JPOPBJLDGOMNCB-SFHVURJKSA-N 466.556 0.920 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(Br)o3)CC2)o1 915376494 CAYODWMZLJARDM-UHFFFAOYSA-N 480.275 0.832 30 20 JCED CN(c1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1)S(C)(=O)=O 917229944 URBDVQRIMOUMGG-UHFFFAOYSA-N 465.509 0.658 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc3cccc(OC)c3o2)c(=O)n1CCOC 917355358 HVBSDBJSKLACCA-UHFFFAOYSA-N 471.535 0.967 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCc2ccccc2)c1 918272024 XTCMNASYXWJGKZ-XHPQRKPJSA-N 471.539 0.871 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3CCO)c1 918450055 QZEAIFUPKILVBV-OILZTRLPSA-N 488.570 0.821 30 20 JCED N#Cc1ccc(CSCC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 919818129 OBQRTSOBILAJBY-KRWDZBQOSA-N 457.599 0.453 30 20 JCED COc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1C#N 1254695056 PMQXCHSCYIKCCF-HZPDHXFCSA-N 451.549 0.748 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297738323 PIVHRHZWWXMOID-FQEVSTJZSA-N 489.650 0.988 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1299076630 WOSFVUIZHQEPRR-AWEZNQCLSA-N 452.533 0.867 30 20 JCED CC(C)C(=O)NCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1302461434 WGESSUWHPKQKES-UHFFFAOYSA-N 469.546 0.796 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCCO1 1305205766 LHNTXLIFIAQZCZ-HRAATJIYSA-N 461.544 0.894 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539803669 KWKXEZDKPIKALM-VQIMIIECSA-N 485.998 0.849 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1552739904 MSLQVKNQPDZREW-SFHVURJKSA-N 471.587 0.462 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1589405273 QBMHOXKLZQPKKW-ZIAGYGMSSA-N 464.386 0.992 30 20 JCED CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCCO1 1637500577 JLZHVPHTLIAQOW-MRXNPFEDSA-N 452.533 0.979 30 20 JCED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 1658293081 YPANHSUAOPSSDB-INIZCTEOSA-N 459.576 0.117 30 20 JCED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1660614241 QFYJVGLLJPBDQO-UHFFFAOYSA-N 450.970 0.753 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)N(C)C 1723953305 RAUZNZRSFNBQNF-MRXNPFEDSA-N 474.591 0.170 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OC(F)F)c2)CCO1 1771537336 MGNDWFWOFHSSGZ-UONOGXRCSA-N 454.459 0.954 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1778228499 CCMJHHHZIUFLQN-IIRYRQSKSA-N 476.574 0.932 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)C1 1779098262 FCGMFMSRLJCBNI-JHKOMORCSA-N 451.520 0.935 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)Cc2ccc(C#N)cc2)CCO3)no1 1779120357 YQEKBCPDSGJLLI-HSZRJFAPSA-N 451.483 0.657 30 20 JCED Cn1ncc2c(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc(Br)cc21 1780221413 MFKPWLYVDRDKON-FQEVSTJZSA-N 475.299 0.867 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1781295617 NKDRUNMYEWOSTO-SAHWJRBASA-N 464.563 0.812 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc5n(n4)CCNC5=O)CCO3)C2)c(Cl)c1 1781967682 RXGPOUKDACVPLD-QFIPXVFZSA-N 468.901 0.909 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)C(F)(F)F)C1 1782236273 KTRBHOSJVLTORU-PMUMKWKESA-N 450.458 0.980 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(n4ccnc4)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1782862007 NUPPKHXOYGWUSB-DHIUTWEWSA-N 457.531 0.682 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(n3ccnc3)CCN(C(=O)OC(C)(C)C)C1)CCO2 1783055519 WPRHOELWWAGNCI-XZOQPEGZSA-N 457.531 0.682 30 20 JCED CN1CCN(c2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)cc2)CC1 1783488430 WTAMBANCYCDSIX-JBACZVJFSA-N 454.527 0.120 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)NC(=O)OC(C)(C)C 1783783957 JHAWIMHEUKFKLL-UZUQRXQVSA-N 463.531 0.686 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)NC(=O)OC(C)(C)C 1785305924 BGDPHUPNDYTGGS-ZMPRRUGASA-N 466.535 0.784 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785724613 NBXYPZONPOFQAN-IEGUWTFLSA-N 465.547 0.491 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ncnn4C)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1785852908 RYUPCROMVGAQRK-XSLAGTTESA-N 474.562 0.974 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786369589 HMWGATCDUGLWKP-QBYUYEEZSA-N 452.508 0.336 30 20 JCED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)cn2[nH]cnc(=O)c12 1788603249 LQEQMVCIRUTXKZ-MVHOGZTOSA-N 469.546 0.396 30 20 JCED COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788659800 SKRUVUAGUXPDAP-DXOXABKMSA-N 463.535 0.652 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1788660735 JJCGRJWXWQMYFW-XJKIKEKASA-N 463.491 0.070 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327192 WEXXYFQCGXQXTH-SJVNDZIOSA-N 452.515 0.895 30 20 JCED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1790697505 SNKFCHQRSLSRGJ-VNBWJKKMSA-N 478.615 0.358 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)c1ccccc1)C2 1792484379 FWFXDJSXVCWWRL-WPXDNGDRSA-N 454.527 0.207 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1792529662 XTYIVJBOFOFOJI-JTJHWIPRSA-N 490.601 0.310 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792585912 VLMJUWOUQYUZOW-LVEJAMMSSA-N 462.547 0.019 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1793351817 UUWAVOJUXFIAJR-TWHPPBISSA-N 481.590 0.787 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1793387886 SURXLLRXEZZJMF-UCIFAOBLSA-N 471.620 0.901 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793431914 BLSOZEFWLLGGMP-IPLXSBJHSA-N 478.590 0.784 30 20 JCED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1793569471 VTTLUHGWFIOQCR-FQBWVUSXSA-N 499.630 0.991 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]nnc3n2)c(C(F)(F)F)n1 1796571251 GLTPSOOJVVNYQJ-ZSBIGDGJSA-N 487.402 0.664 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccccc1C(=O)OCCO 1798565490 LLCJRDVQWCEIBL-BBIADKPPSA-N 484.549 0.738 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1799233270 KWNMNINUEXHGQV-VQQMMKBISA-N 490.601 0.895 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2 1799320733 NITFTNUQTROHLJ-YYIAUSFCSA-N 462.551 0.878 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1799390893 BZOXOFOQSFLKSJ-OPOADAIRSA-N 457.531 0.731 30 20 JCED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C(=O)O 1799784596 BLUIRAKASZGZNT-KPEUIFRASA-N 468.432 0.843 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)NC)C2)NC(=O)OC(C)(C)C 1801928756 QIJAAERUGFNODR-QOIOWGMHSA-N 452.552 0.572 30 20 JCED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@H]2NC(=O)NC2=O)C3)N(C(=O)OC(C)(C)C)C1 1802504905 MKJMQZOCHJNLBT-JJTUDDRGSA-N 475.546 0.788 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802924846 GHSNIAKXCVIHHI-MTNXABLMSA-N 460.531 0.868 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)N2CCN(C)CC2)[C@H]1c1cccnc1 1807852540 LIHOOUWNPCXKFO-GONSDRGXSA-N 468.602 0.582 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cnc3c(c2)NC(=O)CS3)[C@H]1c1cccnc1 1812218205 LVHUMSNJYSAUDZ-VBKZILBWSA-N 465.491 0.928 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)NC(=O)OCC)CC1 1823746716 KIQBVMZAZRERGZ-BGJHAKSCSA-N 450.536 0.529 30 20 JCED Cc1cnn(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1829023737 YAOBANCKDKIDMC-RUZDIDTESA-N 493.520 0.732 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CNC(=N)N)C3)C2)c1 1829181198 CXZBYCHOIMOAPD-DEOSSOPVSA-N 492.540 0.435 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccnnc3)C2)C1 1829332234 FOVQNPZPVADCME-DEOSSOPVSA-N 477.477 0.630 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1829346458 VAHSVBFFMQTFQB-IERDGZPVSA-N 473.559 0.444 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064866 VSVSSMSADPDKAQ-SAHWJRBASA-N 480.562 0.363 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1830344436 KBAFBMWFRRFHNO-HXUWFJFHSA-N 453.580 0.402 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831038573 OAZDNIRUAYWSGE-MHECFPHRSA-N 497.589 0.759 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1831396535 NRVJWMJENXDPHY-FDDCHVKYSA-N 453.499 0.376 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1831490381 BJPSGSLVHOBEQZ-AUSIDOKSSA-N 474.583 0.958 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1832456251 LIGYVVBUFVASRN-QFIPXVFZSA-N 464.588 0.662 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc(C(F)(F)F)n1)CCO2 1832951342 VYTACIWRSMFGKS-LJQANCHMSA-N 455.389 0.187 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3C(=O)OC(C)C)CCO2)C1 1833393307 OHRYKZHGLPWWOB-KOSHJBKYSA-N 473.526 0.755 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c(O)n1 1833698265 BLBBJMODDOEBCJ-QHCPKHFHSA-N 455.515 0.873 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834034398 OTEXVKPLCYMPCZ-MBSDFSHPSA-N 473.530 0.463 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)nn3C)CCO2)C1 1834166904 CIWACMZDBCPPJP-MHECFPHRSA-N 489.573 0.715 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1834723341 OULFAOYVKJJUOI-HTAPYJJXSA-N 451.520 0.597 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1834768672 JENDHWRHGIJOKC-PTLVVNQVSA-N 486.525 0.128 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CSc3ncccn3)CC2)CC1 1834863140 LAWSMMOZEARKCZ-PLNGDYQASA-N 472.615 0.999 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccn(Cc5ccc(F)cc5)c4=O)C3)C2)CC1 1835341170 RMSKHTUUASMFIN-RUZDIDTESA-N 495.511 0.804 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c(C#N)c1 1835448340 RQSGHCVALFWEOV-VWLOTQADSA-N 486.569 0.288 30 20 JCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)N1CCN(C)CC1 1836374171 RENJFENMQWYLIW-QRUUQNQBSA-N 475.682 0.666 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3n[nH]cc3c1)CCO2 1836424707 YLHIDFLMQFISMK-UZQCKINESA-N 453.499 0.491 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csc(Br)n1)CCO2 1836565855 OSFDCBFPSDFMLV-MRXNPFEDSA-N 458.290 0.064 30 20 JCED O=C1Cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)ccc2N1 1836789489 GITWWBASNBMUKN-UXMAWFNJSA-N 486.525 0.780 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836974301 VGCGAFCLJXDKMM-FUMRIQNTSA-N 457.531 0.148 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cc(Br)ccc3n1)CCO2 1837039297 YZXANYRQXMKBAD-HXUWFJFHSA-N 491.298 0.255 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)c1 1837047000 CUKFNMBELKSWFR-UHFFFAOYSA-N 471.489 0.861 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Nc2cnccn2)CCO3)c1 1837483457 PLTLRWMWFKSUFZ-OSPHWJPCSA-N 480.525 0.927 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1837661353 HGAHDZUEZQCDKX-LAUBAEHRSA-N 459.609 0.763 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1838531866 LGECTNZHPJJMJL-OIUIXCLQSA-N 471.535 0.956 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1838567665 JEASWLANVBXEJJ-XMMPIXPASA-N 456.495 0.319 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736186 PIXRLIGHIYEHKN-FDDCHVKYSA-N 491.545 0.496 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)cc1 1838949905 CGXFGQOZAWISSV-QHCPKHFHSA-N 452.467 0.651 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1839129915 PBUDUZDTAWGCCB-GLDPYIMESA-N 481.590 0.911 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210510 SGSOKWHBMIKZBD-YZZKKUAISA-N 469.579 0.931 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839618598 PDDGTDAKEOJTDQ-IYZQMXKPSA-N 471.489 0.402 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1839738947 LFDDOFYUQRPOSG-SBUREZEXSA-N 460.531 0.655 30 20 JCED COc1ccc(/C=C/C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(OC)c1OC 1840040210 RTKWTPFPJZCVAR-COIATFDQSA-N 488.493 0.270 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840169394 BBOWGNDRVDGEEB-UUOWRZLLSA-N 495.573 0.703 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1840176759 UWJKUKDAUJPJJN-HTAPYJJXSA-N 469.535 0.475 30 20 JCED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1840322313 VKWYEYRTQLMHAR-FQEVSTJZSA-N 450.879 0.638 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCOC3)CCO2)C1 1840540663 CIXPRRYYTHZSOL-BSRJHKFKSA-N 465.547 0.396 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1840820551 WBENUBWSHDFRTF-GJZUVCINSA-N 479.533 0.997 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1840907465 VZERHDIZMCKNNN-CYFREDJKSA-N 489.573 0.715 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1841055695 RUESEPMICHNVGC-QGEPZOCXSA-N 452.555 0.684 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)n[nH]2)C1 1842983768 FOFWDYQOWFGOAM-OAHLLOKOSA-N 492.533 0.738 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c(O)nc(NC(=O)C(C)C)nc21 1847804441 IRERRZIUZBXRGM-JYJNAYRXSA-N 483.529 0.367 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 24358025 VZMPGQUEXUVBTM-OAHLLOKOSA-N 452.533 0.570 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1 105253047 YYHQNMBQWNRVPJ-UHFFFAOYSA-N 455.448 0.619 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCCC(=O)OC 501797137 WJMBQXLJZKQIDY-UHFFFAOYSA-N 480.546 0.677 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N(C)CC#N 504556596 VPRXDCJVCQAKAE-UHFFFAOYSA-N 456.546 0.370 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 514328947 FELLBRUYGXYVJM-IAGOWNOFSA-N 486.616 0.263 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(C(N)=O)cc1 523251631 DCJMVOTXPVWYMC-UHFFFAOYSA-N 466.544 0.421 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828299 NLLXBSWICXUYHE-ZDUSSCGKSA-N 468.560 0.714 30 20 JCED COc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1-n1nnnc1C 609005004 HDMQVEOHCDPOKX-UHFFFAOYSA-N 461.486 0.970 30 20 JCED N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 728188806 OYPKIGMTQQTTCZ-RTBURBONSA-N 466.585 0.188 30 20 JCED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)cn3)CC2)c1 730893077 KOJDRQILMIRCLH-UHFFFAOYSA-N 456.480 0.846 30 20 JCED Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 769175509 ZFQFQOCIDOJYBX-UHFFFAOYSA-N 458.496 0.785 30 20 JCED CC(C)[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(N)=O)C1 876700244 BRTHYWYNQMZMNQ-KXBFYZLASA-N 478.571 0.797 30 20 JCED CS(=O)(=O)NCCC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 915386541 SZVIOWHMSWZLDN-AWEZNQCLSA-N 452.533 0.839 30 20 JCED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)C2=O)cc1 916775635 YVXJBVWQBQECOU-OAQYLSRUSA-N 456.480 0.980 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1 917737578 WKUWEZHOCJOJMS-UHFFFAOYSA-N 453.546 0.990 30 20 JCED C[C@@H]1CCCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1291129157 JQFHWKZGXZHGHD-UWVAXJGDSA-N 469.587 0.785 30 20 JCED CCC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1500130818 XAYWFPKMCCPECC-OTWHNJEPSA-N 481.623 0.603 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1547475700 XQHLJKPGCHMBSL-UHFFFAOYSA-N 452.563 0.895 30 20 JCED N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1555992257 LRGSMKGZFXABBP-KXBFYZLASA-N 469.470 0.825 30 20 JCED CN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](CNC(=O)OC(C)(C)C)C1 1630979151 SLROZISPVZRBBE-AWEZNQCLSA-N 451.549 0.392 30 20 JCED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1655034669 GHJXSFKANJEGNS-UHFFFAOYSA-N 458.459 0.978 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1730763331 UXVQYDLNSIGZHE-GOSISDBHSA-N 454.535 0.876 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(CC(F)(F)F)CC1 1741943851 IQIBKPPFAGMXLG-ZFWWWQNUSA-N 479.529 0.891 30 20 JCED CN(C)CCOc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1747594974 ORBKNSFJAIXDJM-AZUAARDMSA-N 474.587 0.898 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1748293629 QQIOULZYPYTDDJ-LJQANCHMSA-N 486.602 0.109 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)NC(=O)c4cnccn4)C3)C2)c1 1779179582 GYEOXSZQJDIZLB-XDHUDOTRSA-N 462.510 0.919 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779360913 WYJZXGVDKMLZMN-DAMXWIAXSA-N 495.621 0.858 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1780124461 WBAPIEWLERLDCL-XXXZYALBSA-N 457.527 0.750 30 20 JCED Cn1ncc(I)c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335443 UQKZIYGWPPKXSH-SFHVURJKSA-N 494.293 0.982 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)C2 1780741335 VWSFQEGIKGWKPS-URZJWIJPSA-N 454.520 0.626 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](N)Cc3cccnc3)CCO4)c2c1 1782195831 KXNOPESSJRGQIF-YADARESESA-N 459.510 0.843 30 20 JCED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1784383113 OQMPYIIQGSGDED-BXWFABGCSA-N 460.494 0.578 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1784785754 PRIFAXXZURHMJO-FJIDUMEYSA-N 462.551 0.727 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1784786285 UBVQKMRJNIZBPS-AVEIZBFRSA-N 464.563 0.714 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1)c1ccc(O)cc1 1785032172 REAVIZPTGWJUKP-ZFMNYDKASA-N 482.537 0.421 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1785575129 YJOPJUQCAPKZIH-ZHRRBRCNSA-N 461.519 0.667 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1787125873 YYBYMPJSJGPQCA-UYLCUJDWSA-N 457.593 0.655 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(cnn4C)c3OCC)[C@H]2C1 1787245571 BXYGUJPFVIVXGZ-JUTDANKFSA-N 496.568 0.819 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cc2n(n1)CCCNC2=O 1788256570 ZQRJJSPRQZLBKH-NPCPIDJVSA-N 488.545 0.139 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21 1788658171 GAGMCKCQBDDMHI-AIQLCDAESA-N 456.503 0.852 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)c(C#N)c1 1789842816 POLCJCDTANSIRP-VDGAXYAQSA-N 466.494 0.014 30 20 JCED CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791072691 VKWXQGIFVCIGTC-BZSNNMDCSA-N 461.515 0.621 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1792258750 OYFYXHDDWLKDDX-QAETUUGQSA-N 483.587 0.701 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C(C)(C)C#N)C2 1792636064 DNBZEBFUNMMASO-CUSZFKRNSA-N 457.531 0.762 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)C=C)C2 1793597681 SIGZNBNPSITUEV-LVEJAMMSSA-N 464.563 0.736 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1793823394 KCHWURPKUIVZIL-DFGXFYAUSA-N 457.593 0.771 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O)c1ccc(O)cc1 1795637849 OOWHMRSGFAYDFL-PHTMTLDSSA-N 456.543 0.072 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COC(=O)C(F)(F)F)c1 1797656046 YTVNWCUDILBPCC-XOIINTDNSA-N 455.389 0.876 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1797707578 QTGSBHKCAIUDTG-LTCOOKNTSA-N 451.545 0.261 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799152020 ZDSHVOPLEXVTTC-YZNWFPQRSA-N 466.538 0.928 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)=O)C2 1799232648 WWZYXSPIRMFSLU-AJYBTWMASA-N 464.563 0.409 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1799305340 BEJCMJQKBPDLBE-DOZWIBKZSA-N 460.483 0.916 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 1799331443 RQPZAKPOTKGTRF-HVRFAWQISA-N 465.547 0.298 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1799680646 VXBPQJSBYHLZGW-BAYUQKDNSA-N 472.542 0.924 30 20 JCED CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1800513478 OHDILBHEJOHKQR-YALNPMBYSA-N 472.608 0.314 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCO[C@H]12 1800765953 HLWJNUYAQNSUIN-HJGLJVKWSA-N 469.604 0.919 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2cnccn2)[C@@H]1c1cccnc1 1803548095 HCTYANIAAULBBN-ZDWTUXFCSA-N 464.526 0.734 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1804417005 XHGHXFRPANPDEQ-CTUFNNTOSA-N 467.486 0.751 30 20 JCED N#Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)c4cc(=O)n5[nH]nnc5n4)C3)CC2)cc1 1810490295 UNONBROJHDFLLF-UHFFFAOYSA-N 460.498 0.772 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCN2CCN(C)CC2)n[nH]1 1817152460 UZPJKNYRWIFIAO-FQQSSWHASA-N 457.579 0.898 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816946 OHGQMICECMPEBA-MRXNPFEDSA-N 488.468 0.792 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819900165 FVPRPKFXQMSENG-SVHKYYJNSA-N 487.604 0.912 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1(O)CCCCC1)CC2)C(=O)C(=O)O 1824674613 SVXSCOREBUZPQY-CYBMUJFWSA-N 462.528 0.297 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCNC1=N)CC2 1828030210 UGNORHSPTAZCGY-AWEZNQCLSA-N 453.528 0.846 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829120973 JWKMFYYQAMIVBD-AVRWGWEMSA-N 497.552 0.906 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCc1nc(N)n[nH]1)CCN2C(=O)OCc1ccccc1 1829124899 WURBKROYVBWTFW-QHCPKHFHSA-N 465.514 0.405 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1829758075 SKJIVDGDCFXVLI-NRFANRHFSA-N 463.560 0.348 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCOC2=O)CCO3)cc1 1831013928 ZRXDLRFZNPDIIC-QHCPKHFHSA-N 456.499 0.399 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831392330 KEDUPMXZPXTWGZ-XLNZFTOWSA-N 479.574 0.738 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1831431199 AOOCNCLQFBKOKH-HJPURHCSSA-N 487.513 0.340 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cn(C)nc2C)CCO3)c(C#N)c1 1831875733 CLCFACLSEMSUSM-DEOSSOPVSA-N 467.526 0.922 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCN2C(=O)C=CC2=O)CCO3)cc1 1832015205 MSVAJEKDHDGYOM-RUZDIDTESA-N 480.521 0.262 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO3)c(C#N)c1 1832162254 LAOVMNCSIDZRAI-LEWJYISDSA-N 485.459 0.879 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H]4CNC(=O)O4)CC3)CC2)c1 1833512448 HFJGCIFPKQIOTC-FQEVSTJZSA-N 455.515 0.860 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1833565402 KCGJKWWZPNKPCZ-QFIPXVFZSA-N 463.556 0.500 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cn1)CCO2 1834477778 ZCEYKXXIHGYGGQ-KKRXVXNVSA-N 450.467 0.820 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834608140 DMTUYYVXRVROOG-HSZRJFAPSA-N 453.451 0.660 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)n5[nH]cnc5n4)CC3)CC2)c1 1834797409 VQMWBZPZMQXTLS-UHFFFAOYSA-N 463.502 0.116 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1835714111 XFGYUMCPXUGSCI-FQEVSTJZSA-N 482.585 0.848 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)COc3cccnn3)CC2)CC1 1835769501 ZOVTWJCTARCIOW-DZQSVEARSA-N 474.562 0.956 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1835796175 UMHNWCDADCWFOJ-UWJYYQICSA-N 486.617 0.740 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccc(C(F)(F)F)cn4n3)CCO2)C1 1836290021 VQCFBCJKTXFRJB-QVKFZJNVSA-N 495.458 0.856 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837169861 SIYHHRUVNOBTMP-XUHCNCODSA-N 455.519 0.271 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1838392310 VAOUDIGTOKLGPG-KOEQRZSOSA-N 458.563 0.714 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838581843 SCTMAURQVCUDBS-GCJKJVERSA-N 459.503 0.084 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838758423 PGOHKFMKTQENRM-IERDGZPVSA-N 450.540 0.904 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)cc1 1838951061 WGCDQECQTGWYHK-UGKGYDQZSA-N 455.540 0.655 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnsn4)C3)C2)c(C#N)c1 1839131620 OEJVYKIJQNVXET-OAQYLSRUSA-N 457.512 0.731 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1839175443 JTVOVNKIXQIITF-QHCPKHFHSA-N 462.499 0.980 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)c5ccco5)C4)C3)c2c1 1839486289 RROGDIITSLUGER-NZQKXSOJSA-N 465.466 0.831 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CC3)CCO2 1839607439 XAQYSTZSTQLGOY-CNXHMKESSA-N 482.537 0.500 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1839662432 NWWGINQSKLNUKY-QHCPKHFHSA-N 470.913 0.405 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839692496 ZZRKRTFYOSPFIF-UUOWRZLLSA-N 458.559 0.431 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2ccnn2)CCO3)c(O)n1 1839706376 KYMVTXMTGVGXSR-SBUREZEXSA-N 470.530 0.829 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)CC)CCO2)C1 1839832183 MKODIVPRGXNZQZ-ZHRRBRCNSA-N 451.520 0.339 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1839889591 DCDJQSLJALLSAQ-HXUWFJFHSA-N 456.534 0.434 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1)c1ccc(O)cc1 1840220337 KGZZKNCNECFHBA-DVECYGJZSA-N 457.527 0.482 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1840796174 YEFRUQZIXBMONN-QZTZHPFYSA-N 496.605 0.814 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nc2ccccc21 1840814045 LMJWOPYYKILQCV-DEOSSOPVSA-N 465.510 0.697 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818054 HXTRWHREAZRQAN-HYBUGGRVSA-N 456.543 0.878 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1cccn1 1840820618 ANTTWKXUORCJAD-JPYJTQIMSA-N 453.499 0.851 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1840820915 QBLKLHKGOCTYBH-DRMXPCRNSA-N 457.527 0.945 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1840908513 BZAFTUVMJDSMBU-HOYKHHGWSA-N 488.541 0.774 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1840958307 ACVAWFZQAOOLRX-VFNWGFHPSA-N 452.529 0.627 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=O)OC)C2 1844215403 BQHMJRCSELXHJB-OAHLLOKOSA-N 497.549 0.351 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COCCO)C1 1845212191 CEUATVFMTCZBJI-MRXNPFEDSA-N 484.550 0.004 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NCCCN2CCCCCC2=O)CC1 501583248 WFIJDHCVMLNCKD-UHFFFAOYSA-N 461.588 0.773 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2csc(C(C)(C)C)n2)c1=O 523461997 HJYACHJQDITAIQ-UHFFFAOYSA-N 464.613 0.966 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cc(C(=O)OC)c(C)o3)c2=O)cn1 523580814 IJIOHHPKEOOWMR-UHFFFAOYSA-N 469.523 0.831 30 20 JCED COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 603262895 LDIFEZNTIKUBOI-PXNSSMCTSA-N 471.539 0.435 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)c(C)cc3C)c(=O)n2CC(=O)N(C)C)CC1 604269975 AKSZEYVHTAKGAT-UHFFFAOYSA-N 495.649 0.590 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(=O)N(C)C 609220233 QHJDJTOAPWGSAT-UHFFFAOYSA-N 482.606 0.987 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCS(C)(=O)=O)c2=O)cc1 729673417 OGHJHFOEPDMZJU-UHFFFAOYSA-N 476.576 0.859 30 20 JCED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2CCCNS(=O)(=O)CC)cn1 730721843 BPVZRKLPBAVPJA-HNNXBMFYSA-N 494.603 0.983 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 894589536 BMEUUOALEJJADN-AWEZNQCLSA-N 466.516 0.097 30 20 JCED COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 915778259 WFUUSHBIJZLKOI-CQSZACIVSA-N 460.516 0.433 30 20 JCED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)Cc3ccccc3C#N)C2=O)cc1 916775577 WDSVDROBQVPQGR-NRFANRHFSA-N 456.480 0.980 30 20 JCED C=CCn1c(-c2cccnc2)nn(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1=S 918179779 GJJKJXCVTQLSMD-UHFFFAOYSA-N 455.544 0.913 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)OCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c1 918762401 CJYGAKZPTYTNCY-UHFFFAOYSA-N 477.524 0.887 30 20 JCED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1=O 919315620 KXPUAHWVCXBALB-HSZRJFAPSA-N 498.517 0.905 30 20 JCED CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 920759340 YDUGEKJWTAMMBX-INIZCTEOSA-N 450.561 0.991 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 928867661 BOAMPAGWADSMEZ-VYDXJSESSA-N 478.571 0.940 30 20 JCED COc1ccc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1OCC(N)=O 1317705137 GACZTLKREUCMDQ-UHFFFAOYSA-N 462.532 0.336 30 20 JCED C[C@@H](CC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1465291904 OWABXTUUEFISDR-HNNXBMFYSA-N 455.540 0.951 30 20 JCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1503809203 OOZDCYVNBSDISP-MRXNPFEDSA-N 450.547 0.742 30 20 JCED CNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)c1 1554415585 TVBKRWGMUOOJNJ-GOSISDBHSA-N 460.560 0.955 30 20 JCED CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1624076388 MOXDTRXAWZFBIE-OAHLLOKOSA-N 456.590 0.791 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)NCCO)CC1 1642591127 NVZTVGSNYDWMPA-KRWDZBQOSA-N 450.561 0.487 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1698061931 YRRRUSPDWIVEJM-GOSISDBHSA-N 464.548 0.731 30 20 JCED CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1746682299 BZUWWMOMXBUACO-NRFANRHFSA-N 467.592 1.000 30 20 JCED CN(CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)CC(F)(F)F 1767327687 NVGAFSLVPQBWMC-PBHICJAKSA-N 497.519 0.937 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)c(C)n2n1 1777783241 YOENKEMAAUKPEE-BPRFCRFOSA-N 471.518 0.714 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)cc(C(F)(F)F)c1 1778002607 FETJAUXXQCBRSD-SQGPQFPESA-N 453.465 0.991 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778003357 GUBZYBBJIRMROD-FTQGJBRDSA-N 465.595 0.256 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ccc(C(F)(F)F)cn34)C2)C1 1778551048 HZTXVOZPZWEVBY-IBGZPJMESA-N 450.373 0.885 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1779429009 SSFCJOAKNMICFV-DIKLIKIVSA-N 478.468 0.708 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn3[nH]cnc(=O)c3c2C)C1 1780017006 HJVOIAGRBNXRFY-KACWQLICSA-N 482.541 0.317 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780203652 MQJQSWZUTBVNPB-HSZRJFAPSA-N 485.497 0.631 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1)NC(=O)OC(C)(C)C 1782666919 MVGLZNKIVPVAKI-MHECFPHRSA-N 489.573 0.933 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)C13CN(C(=O)OC(C)(C)C)C3)CCO2 1783920576 FZANNWSILMIVFX-HTAPYJJXSA-N 497.614 0.817 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C[C@@H]21 1784487122 ZHCUIAYQMZXWOG-VPAKFMSCSA-N 481.590 0.669 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOC)[C@H]2C1 1786642691 SVJKFYDCVIYUDW-VJANTYMQSA-N 467.563 0.546 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1786847888 IZLWCWJTCGRLDO-UJAPDJEWSA-N 491.589 0.920 30 20 JCED C[C@@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1 1787197869 FMFBNNKUXXBPEA-KNPMLCFXSA-N 453.421 0.700 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1 1787199289 KWTKLKACZYAHJT-RUGDWHBFSA-N 497.474 0.716 30 20 JCED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1788616039 ZICRAQBRIPYRGM-LNLFQRSKSA-N 459.572 0.401 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)C#N)C[C@@H]32)C1 1789808052 DUAQBPSHFRDFBR-JCECYMMASA-N 464.563 0.744 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789881420 OWWAXKFNRMDDAM-HVTWWXFQSA-N 478.590 0.797 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1789904178 HDYDUQLEZPGAQT-FKSLSLAPSA-N 478.590 0.962 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792780470 BOWKRXCRSGDAFB-JTIOYYDXSA-N 487.553 0.265 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2 1793342846 WBNKFVLJCXSBMX-AVEIZBFRSA-N 453.536 0.154 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1793349950 SGWSXXYINDZLDX-SFNKJDCFSA-N 455.552 0.444 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc[n+]([O-])c1)C2 1793593988 ZEGKSJQFWOKMDJ-RDGPPVDQSA-N 460.531 0.993 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)c1 1794320898 QDLUQOMBCVYFJD-RMFSNUHRSA-N 475.567 0.387 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)[C@H]1SC(=N)NC1=O 1796424939 AJRBYYNQNSKRQN-RKHQKPBDSA-N 481.538 0.440 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1797711700 ZPWYAFZVMBULKR-ZKPZVSKHSA-N 471.598 0.785 30 20 JCED O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798496539 BTEGBDXOIHLYJM-MBDBIXISSA-N 461.475 0.924 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1799321592 GNDZOEFKOAYVSU-BASYENTBSA-N 491.545 0.951 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1799334453 BZGRMPAIXFIRED-XAPVIXHLSA-N 475.542 0.456 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1799365396 ZAPNGPQBDXKFJR-COCQQYAMSA-N 498.577 0.381 30 20 JCED CC(C)(C)OC(=O)Nc1ccc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)ncn2c1 1800775713 CWIVDWDJQLEJPF-YVWYUNDQSA-N 497.508 0.973 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2)C(C)(C)S 1800906628 YCQNPXTUAGBLGK-DLTLXFJOSA-N 495.602 0.987 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O 1801327983 FHNNVYOIYXTDDX-QKPAOTATSA-N 466.535 0.637 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)c(F)c1 1801868802 KCVNIKJGLCFZSJ-AMVTXUCVSA-N 452.504 0.471 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1801886604 XAVZKILAGFEXSA-MHORFTMASA-N 475.542 0.986 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C(\C)NC(C)=O)C2 1802128823 UGBOTPFBGDJTDX-NGUWMKHNSA-N 462.547 0.533 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1803920690 CDNFWIWAPNFGGC-AYWYSENESA-N 489.594 0.998 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)c1 1804356468 ZBNONYCLGPUOQX-OZOXKJRCSA-N 476.493 0.880 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 1806699995 ZADLQNRFBDRTNJ-QGZVFWFLSA-N 489.573 0.686 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1810356840 GRKNMJVKXROGRP-QGOSNTNZSA-N 477.518 0.681 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812880281 NPVJZAVBZLHXMY-ZWOKBUDYSA-N 474.514 0.451 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819892331 ZOYOPRBGEUQJQX-DJJJIMSYSA-N 452.533 0.215 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)C[C@H]3NC(=O)NC3=O)CC4)c2c1 1823888691 NDBMEOCBTCWFRZ-IINYFYTJSA-N 478.494 0.715 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1829333609 AXMOMHXDYPFNMZ-IUKKYPGJSA-N 457.458 0.885 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1829346707 ZIXHGYWJXAFCCS-NYHFZMIOSA-N 473.555 0.633 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829626641 LESPVEWBSOSHJQ-QPPBQGQZSA-N 456.543 0.862 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnccn4)CCO3)C2)c1 1830966556 RRBSGACPZXPOFS-HSZRJFAPSA-N 451.483 0.670 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831218417 SLVXUGFDIFHSLT-YDIMBITNSA-N 477.558 0.084 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Cl)c(CC)nn3C)C2)C1 1831386529 HMLZZWAUMMHLRP-BTYIYWSLSA-N 452.939 0.744 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1831388261 WHGKONXKZXZIKG-MHECFPHRSA-N 465.510 0.647 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@]34C[C@H]3CCN4C(=O)OC(C)(C)C)C2)C1 1831402332 VCWUTCSYBBBIJA-UEUXDIAVSA-N 491.585 0.881 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1831452458 SBPLUFXVKHUXMN-VGSWGCGISA-N 482.986 0.829 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1831999739 BEVWYZYTWZUPOH-VGSWGCGISA-N 478.550 0.204 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)c1 1833121295 CNKWKFXMICZAEH-QHCPKHFHSA-N 451.483 0.670 30 20 JCED CC(=O)N(C)CCC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833670556 YGFMXISFTCFYOV-HHEUTOACSA-N 465.595 0.955 30 20 JCED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1834571762 HLCCNEKCIQLWTE-UHFFFAOYSA-N 464.563 0.856 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835312045 LRFJMFVZAQZPLN-QZMQVMSPSA-N 480.562 0.191 30 20 JCED NC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccccc1 1835816367 JCTBIHWPVSMUCQ-ATIYNZHBSA-N 469.582 0.884 30 20 JCED C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835829614 BKXIAKPUGOSMGH-ITSXBRTRSA-N 463.579 0.778 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836140438 IUEIBXSURNYFEN-UHFFFAOYSA-N 464.526 0.906 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)CC1 1836526574 XVMATMVUKAYHHT-QHCPKHFHSA-N 451.483 0.539 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)N1C[C@H]2C[C@H]2C1 1837287216 QMHRNKHIAMEXRG-UCIFFXHFSA-N 464.563 0.312 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837379821 HDJUORMXGDQHSE-NYHFZMIOSA-N 461.494 0.475 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1837403821 RYIBKFXZPOHBNT-CZSZKKDXSA-N 470.570 0.782 30 20 JCED CC(C)c1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)no1 1837524458 HZEDPOAPHIYQFE-IRCLMUFRSA-N 479.534 0.721 30 20 JCED COc1cccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837525358 UYCDSRAYMIQKLR-ZZTJDXDDSA-N 476.530 0.618 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837550273 WEACTJBXOUJHAB-LJQANCHMSA-N 456.446 0.381 30 20 JCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563750 YUPYSRQSSWCLOT-AMFJNGDOSA-N 466.498 0.820 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)c1 1838579053 AJUILRGWJUWVCL-QHCPKHFHSA-N 451.483 0.670 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)ccn1 1838736949 CEJJNPIEKLJNKO-QFIPXVFZSA-N 452.471 0.624 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838739562 ZDYPHGUXEUXONE-XJAMQDAASA-N 467.482 0.727 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839082365 JORWFMBTHULCST-UQVXNSFZSA-N 492.573 0.373 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)c1ccc(O)cc1)CCO2 1839167535 XDFXTNOYCARHKW-OIMFYEQDSA-N 457.527 0.811 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1839175165 SKRZJXGSPUIDMW-QHCPKHFHSA-N 476.530 0.504 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)cc1O)CCO2 1839269617 NEFPAJWKBLRWAZ-LJQANCHMSA-N 467.272 0.313 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3c(Br)cc(F)cn3n1)CCO2 1839620392 DXFPMOUEQMYISZ-GOSISDBHSA-N 466.267 0.334 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839635311 PBISEYFDPPKFQF-SQJMNOBHSA-N 482.585 0.491 30 20 JCED C[C@@H](Cc1ccncc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839657722 HBFLSLRGEABWAW-YADARESESA-N 457.575 0.998 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)n1ccnn1 1839704702 BTWWGFPZSGUWOK-MBSDFSHPSA-N 452.515 0.800 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3c4[nH]cnc4CCN3C(=O)OC(C)(C)C)C2)C1 1839810153 GTONPUGVROYJBY-AUSIDOKSSA-N 473.530 0.334 30 20 JCED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840199508 CHCXZXQHCHNNGZ-KNQAVFIVSA-N 465.547 0.810 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1)c1ccc(O)cc1 1840220407 NKLOBHCXNFVEQO-CPJSRVTESA-N 455.555 0.907 30 20 JCED Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1840404772 CVWXUOHOVWQYLR-AYXIDTDKSA-N 463.535 0.738 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)cc1C#N 1840763151 LAMSXQJINJUAMB-GBXCKJPGSA-N 454.527 0.943 30 20 JCED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)c1 1841260721 YIEDQDJYGHDNKK-VQTJNVASSA-N 495.605 0.874 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(OC)OC)C1 1841488257 HLADDSXHHWDPJE-HNNXBMFYSA-N 484.550 0.614 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842921758 QOLYCQYQCUZGPV-HNNXBMFYSA-N 464.567 0.240 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 1845137287 DKUGJYKGYSQGBH-MRXNPFEDSA-N 493.561 0.795 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCNC(C)=O)C1 1846010034 ICUWBOPTQKEPNB-KRWDZBQOSA-N 495.577 0.522 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1 16123292 JFLGVXKVDYYPBE-AWEZNQCLSA-N 493.563 0.933 30 20 JCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 16132945 ACISGWVYRDHJII-UHFFFAOYSA-N 458.496 0.576 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 116280981 LCIKUFOGWAUYIU-UHFFFAOYSA-N 455.540 0.462 30 20 JCED C=CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 512516585 IKZTUMWMOUHRIT-SFHVURJKSA-N 456.586 0.842 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 515578864 OFMDLUPBGLZJIT-UHFFFAOYSA-N 451.486 0.625 30 20 JCED CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 518067900 HPTCTUHHTMOCNE-UHFFFAOYSA-N 455.496 0.988 30 20 JCED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c2ccccc2O1 523233953 QMIWHVTVPKVEKN-HXUWFJFHSA-N 451.458 0.886 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccc3)c2=O)cn1 523575285 OXGZWMHTLCIWRP-UHFFFAOYSA-N 478.578 0.067 30 20 JCED N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O 524281163 JODBMQVPTSNJKS-UHFFFAOYSA-N 480.477 0.447 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)ccc2C)c1=O 603794357 BHYXGIWFMCXEMV-UHFFFAOYSA-N 498.649 0.905 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1 728608490 CNUOGQLLAVWBCP-RUZDIDTESA-N 461.522 0.500 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCS(C)(=O)=O 729673141 URBYYQOATXOLDJ-UHFFFAOYSA-N 489.619 0.697 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCS(C)(=O)=O 729673382 MPFGBXWKFHAEDN-UHFFFAOYSA-N 481.571 0.139 30 20 JCED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1 730895126 GGZHMHVMFRUJMW-UHFFFAOYSA-N 472.479 0.414 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 744990853 RTDUJWJJGOIUPZ-QHCPKHFHSA-N 481.465 0.630 30 20 JCED COC(=O)C1CCN(C(=O)[C@H](OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 877730410 ZSUYZPHURSYBGX-GOSISDBHSA-N 465.528 0.705 30 20 JCED CCCC(=O)N1CCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 917991233 NUDAWGVZAVBPBA-GOSISDBHSA-N 476.555 0.725 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2cccc(C(=O)NC3CC3)c2)c1 919020461 HPAJGQWWNMLXHI-UHFFFAOYSA-N 469.519 0.964 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1136427555 PTYFBPSUAPIXCT-USXIJHARSA-N 455.558 0.420 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn([C@H]4CCOC4)c3)CC2)cc1 1185155551 WHCZLWJTIAGRID-INIZCTEOSA-N 451.530 0.411 30 20 JCED CCN1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1296184112 JEJIFJLFLZMXNM-OALUTQOASA-N 467.578 0.928 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1316360881 WKVLWNYLIUMBTO-UHFFFAOYSA-N 481.529 0.964 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)OCC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 1318049959 JJFKPDVTRBNMRH-HOJAQTOUSA-N 489.550 0.649 30 20 JCED COCCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2S1(=O)=O 1471718314 UCXDRSIYRSVAEX-UHFFFAOYSA-N 455.496 0.707 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1541991173 VEBKVDPYGWKXDW-HRAATJIYSA-N 481.623 0.903 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1 1617794128 QZPVUCBXAKMBDP-GOSISDBHSA-N 472.571 0.937 30 20 JCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)CC1 1643225094 XZRIPPLJTLTTSD-HXUWFJFHSA-N 450.609 0.394 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@]1(O)CCN(C)C1 1692770524 IQYOKSVJOIWECK-OPAMFIHVSA-N 473.603 0.996 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC1(O)CCOCC1 1706620045 SGVFAORTFANZLE-UHFFFAOYSA-N 468.562 0.941 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nnc2n1CCCCC2 1706871343 OGMJXYVGHZQGNV-UGSOOPFHSA-N 451.532 0.696 30 20 JCED CCN(c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1764765497 LRQDORWSDHGQHP-INIZCTEOSA-N 452.562 0.379 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1778087644 PDVMYUATZWRMGK-PNLZDCPESA-N 450.536 0.738 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCN(C)CC1)C2 1779333080 VODMFQYARNCDAW-YOSAUDMPSA-N 450.624 0.711 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c(C#N)c1 1780689443 ZYNOOSXNRMPWRW-KHCICDEESA-N 483.525 0.221 30 20 JCED CO[C@H](C)[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N(C)C(=O)OC(C)(C)C 1781081926 ZXJMQFSDKLTMGN-QRFQSNJMSA-N 467.519 0.175 30 20 JCED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(C)=O)CC1)C2)C(F)(F)F 1781805646 STDGAOUYMJFBOV-YLJYHZDGSA-N 460.497 0.783 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567229 JVAMCGSEVOZOMM-MHECFPHRSA-N 499.524 0.056 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1)C(C)(C)S 1783778736 XRYLTQGGCXDOJY-IIBYNOLFSA-N 482.607 0.710 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)c1ccc(O)cc1 1784009892 DFYGMBUORYYIHY-CYFREDJKSA-N 456.543 0.990 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@H](COC)NC(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784093387 KWHTVIVJNROPCD-JXQFQVJHSA-N 494.589 0.533 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C[C@@H]21 1784477478 CVIOPRSXQTZGHO-USNOLKROSA-N 467.522 0.691 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)[C@H]2C1 1784789158 MEKJQYSJYJGGHV-FSGKZVOOSA-N 479.574 0.640 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1785370418 WRFJXUHTLRIKJI-PKTZIBPZSA-N 462.547 0.882 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1785376308 OGUNIBGWGNEMGD-OAQYLSRUSA-N 454.443 0.572 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1785577078 KJEMKZYJYDMJQA-UZUQRXQVSA-N 478.546 0.575 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)[C@H](O)C1 1786364006 ROWTZQLDLAGYDS-TXTZMMAHSA-N 450.536 0.498 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789760581 REBIMLMHIBIYMC-DYKIIFRCSA-N 466.579 0.158 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791690663 ZIOLYRQLJMAEJY-FPSMNIFISA-N 475.550 0.130 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn(-c3ccccc3)c3c1COC3)C2 1792488543 HZTQPMTYRPZTML-BKHSTJABSA-N 491.548 0.964 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)nc3ccc(F)cn13)C2 1792491022 YDBUSYCCRIQELT-IBRLJDPESA-N 455.490 0.843 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)C1 1793258607 PHDYOKMSAJDBLC-RVDAZCDBSA-N 461.559 0.607 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cn(C)nc2OC)c(C#N)c1 1794581487 XBGRSKMJTLOAOF-UPHUGPLXSA-N 453.499 0.755 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1noc2c1C[C@@H](NC(=O)OC(C)(C)C)CC2 1795912172 WTDQDUKLAALFGG-YGTYGHESSA-N 458.515 0.893 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccnc2C(N)=O)C3)c(C(F)(F)F)n1 1795997102 VWKOKZGTHNMSEU-DRXBFXEBSA-N 488.426 0.983 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c(Cl)c1 1799749802 LDCFXKNFWGSCMP-HBCWATKFSA-N 468.901 0.669 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=N)N)C2 1800144840 PNZBYKKHMIYLAJ-FCGDIQPGSA-N 456.547 0.979 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801988889 SNGZBSGPWIPVGK-NWCWSAAOSA-N 461.515 0.737 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(NC(=O)OC(C)(C)C)CC1 1802222907 QIUPWJCNWCIPDG-CHQRJUHXSA-N 462.547 0.492 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cccnc2C(N)=O)[C@H]1c1cccnc1 1802477610 QKQABXURNXSQDD-WPVDLGPGSA-N 462.510 0.754 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1802489190 DEQJAUPZYKRDLF-IVMLSVOKSA-N 487.557 0.789 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803913489 OSOVSRWXDWKHJX-STBMXMOCSA-N 465.510 0.261 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806079789 IZKCIFWZESTBEA-FXAWDEMLSA-N 478.557 0.623 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810360444 JCSQQJLORSTKNF-FVQRREKLSA-N 475.546 0.267 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1812716910 IVKGYKHAJOBPCB-GMAHTHKFSA-N 451.527 0.559 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C2 1812880842 SLLIBNFFTFJOFY-BSRJHKFKSA-N 493.520 0.811 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)n[nH]1 1817682348 ADMYFUQCLUAIDR-LRDDRELGSA-N 460.516 0.905 30 20 JCED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)sc2C1 1822467696 RUJMRKRUJHSXEX-LLVKDONJSA-N 457.537 0.543 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828974571 PGVRAJHWOKEIFN-QVKFZJNVSA-N 462.576 0.240 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCN2C(=O)OCc1ccccc1 1829387022 UTAHHERUJPEZKJ-QFIPXVFZSA-N 468.539 0.982 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1829460374 MRCPXFMMMSOHPY-DFBJGRDBSA-N 495.536 0.450 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)c1 1829773528 VGJAMARSGVSENQ-HXUWFJFHSA-N 461.588 0.850 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830675619 HQVSFEQVVIGHAA-OGJPMFGRSA-N 497.596 0.597 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)C1 1831402209 QMRGBGPURIENLI-FNZWTVRRSA-N 499.564 0.750 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1)c1ccccc1 1832329360 QZEYPNRYDHCQFW-CPJSRVTESA-N 482.537 0.192 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)c1 1832878206 YWFKFVARWZIWFB-JOCHJYFZSA-N 454.487 0.105 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)NC(=O)CC)C3)C2)c(O)n1 1833695906 JGYORKPVEWJKIG-OSPHWJPCSA-N 474.558 0.891 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834608285 HEWQRVNJEXOEKX-HOYKHHGWSA-N 489.525 0.626 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CNCP(=O)(O)O)CC3)CC2)cc1 1834664084 ZMDWIDQKVHESJA-UHFFFAOYSA-N 477.502 0.397 30 20 JCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1)[C@H]1SC(=N)NC1=O 1835112604 SCAALBNFWLVVQO-FZKQIMNGSA-N 471.587 0.874 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1835184655 GGCIAIARFOGHRD-OXJNMPFZSA-N 456.586 0.543 30 20 JCED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)N4CCOCC4)CC3)CC2)cc1 1835766844 RCQAWXUVKAWDKK-RUZDIDTESA-N 469.586 0.588 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CNC(=O)C4)CC3)CC2)c1 1836126207 YCZYMWLOMILZDF-SFHVURJKSA-N 453.543 0.888 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CNC(=O)c5ccco5)CCO4)C3)c2c1 1836130840 TZHQAUJCFXUJSQ-DEOSSOPVSA-N 492.492 0.528 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836193372 KQIJUBADMPOTLQ-CPJSRVTESA-N 486.569 0.997 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836685919 WZYHCTXKAZTCGB-HNVPCBRESA-N 485.581 0.382 30 20 JCED Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)cnn2c1 1836949663 VCIPMRRVPSAUNQ-SYYNNORISA-N 486.529 0.637 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3c(Br)cccc3n1)CCO2 1837186781 LFZFQEVIIGIHJG-HXUWFJFHSA-N 491.298 0.255 30 20 JCED N=C1NCCN1CC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1837860978 VCXUWVYJXSQWOX-JAMLUQCHSA-N 464.567 0.354 30 20 JCED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1838267372 OFDKUUUUEQTOJX-OAHLLOKOSA-N 461.650 0.975 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838582583 UHHVAUQGOAGTTQ-WAIKUNEKSA-N 456.499 0.328 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907264 IKPBKKXERBIMEW-HXOBKFHXSA-N 450.499 0.919 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5ncccc45)C3)C2)c(C#N)c1 1839131883 FPRKUUMJWVYTRH-RUZDIDTESA-N 490.520 0.922 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1839136547 YWFKHJTWOAFGJE-HOYKHHGWSA-N 495.573 0.703 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)NC(=O)c4cnccn4)C3)C2)c1 1839452610 MJGKQVMDTMUDHB-BVZFJXPGSA-N 492.536 0.545 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488523 WYWRXPYEOWLPIV-MWTRTKDXSA-N 478.513 0.432 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1839665470 GSNFTXPGZKYSPB-KOSHJBKYSA-N 465.510 0.641 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCO3)CCO2 1839996473 GBOUWBCSHVXWNC-ASYDGFSTSA-N 469.538 0.479 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(C)cc(F)c1)CCO2 1840238507 PRMWLZLXNROJEE-UUMVVRSSSA-N 459.518 0.991 30 20 JCED CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(Br)c(C#N)c4)C3)C2)C1 1840571800 QBDSZRGWRKYZKH-NRFANRHFSA-N 477.359 0.952 30 20 JCED Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn1 1840818792 XMSFHVIWCIDUPB-QHCPKHFHSA-N 451.483 0.806 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1840820626 AXQSNSWAKSBYAE-BVZFJXPGSA-N 479.537 0.922 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1840842332 BKUSKELPGZKXJW-WIOPSUGQSA-N 455.555 0.757 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840854662 IZNSDCOOEOBHON-GBXCKJPGSA-N 482.541 0.809 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncoc3C)C2)C1 1840908826 IEWBUYICENABKO-HXOBKFHXSA-N 476.530 0.970 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845810109 FLFYHHUOCGYTDQ-OAHLLOKOSA-N 466.535 0.592 30 20 JCED COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OC 16775724 FIRHCRSJCLISRE-UHFFFAOYSA-N 472.523 0.838 30 20 JCED COC(=O)C(C(=O)Cn1c(Br)nc2c(=O)n(C)c(=O)n(C)c21)=C1Nc2ccccc2N1 23058054 HZAMZKGQWXPBMJ-UHFFFAOYSA-N 489.286 0.688 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 495216542 DCWCYMVQSJVBPA-UHFFFAOYSA-N 453.480 0.910 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cn1 507542842 FYCQQLRZHOPQMB-UHFFFAOYSA-N 450.527 0.653 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 520057999 JVKUOUPYMISTRK-UHFFFAOYSA-N 459.488 0.672 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OC(C)C)c2)c1=O 742531152 YDCSAGYXXXUQLM-INIZCTEOSA-N 459.568 0.998 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2cccc(F)c2)CC1 748181249 NHOOGNNNFMICMU-UHFFFAOYSA-N 488.497 0.503 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)cc1 839221384 BIYPLFHKVBTSFU-UHFFFAOYSA-N 457.943 0.942 30 20 JCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 921286123 OFPYSVHBKOWCBH-UHFFFAOYSA-N 471.539 0.760 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)c1 927570617 HVNHUYISYMAUQW-OAHLLOKOSA-N 451.501 0.444 30 20 JCED CC[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1314567862 CGKQEISEPQXWGJ-POEINMCQSA-N 458.610 0.510 30 20 JCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)N2CCOCC2)CC1 1317850765 KOVMEJRLDKNMJH-UHFFFAOYSA-N 477.587 0.882 30 20 JCED CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1503286821 ZEPVMSNJTUWXDM-RCUPCANXSA-N 471.591 0.659 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1=O 1504926696 SDVAUPMUCAJMAO-UHFFFAOYSA-N 470.530 0.565 30 20 JCED C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1541988186 NLZXJJJINAVZHC-LJQANCHMSA-N 450.565 0.584 30 20 JCED CCN1CCN([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547700115 LLXISYHCMHJEKW-MSOLQXFVSA-N 453.551 0.680 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1548323623 ZJVUJVDCDYLXMF-UHFFFAOYSA-N 476.559 0.458 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1610995207 KIQPBUXNWRSOJB-CQSZACIVSA-N 459.503 0.812 30 20 JCED CS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1620177705 LMVNSFCBQRBCBY-UHFFFAOYSA-N 467.559 0.406 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 1662842798 VVGCYDGXRANQDX-MRXNPFEDSA-N 456.528 0.720 30 20 JCED CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)c1=O 1710193599 UWBBXXCUCBAPFE-SFHVURJKSA-N 489.602 0.971 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1710881046 LGPDEEMSURWIBX-MRXNPFEDSA-N 460.516 0.804 30 20 JCED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1712692050 JKQXTOCGQRORQS-FUHWJXTLSA-N 478.600 0.722 30 20 JCED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1712692052 JKQXTOCGQRORQS-WMZOPIPTSA-N 478.600 0.722 30 20 JCED C[S@@](=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CC1 1750220297 WJJAXEUBCMEBMQ-XHDOVSQSSA-N 470.621 0.652 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CC1=O 1769880419 SXGSTWJGVDDNDO-GOSISDBHSA-N 481.557 0.782 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1770345412 IGVDUVJIEJWERY-UHFFFAOYSA-N 478.600 0.723 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4c(Br)cccc4n3)C2)C1 1778763066 JRNHCECWBXRIDH-LJQANCHMSA-N 461.272 0.628 30 20 JCED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1)C(F)(F)F 1778910577 NMDVFMOUHGQSFU-YLJYHZDGSA-N 460.497 0.783 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779101890 UDLIGNJOZCIIJO-ROZQTZPBSA-N 494.570 0.599 30 20 JCED Cc1c(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn2[nH]cnc(=O)c12 1780019286 GECWKGNNTQYKGW-NIFSPFKFSA-N 472.502 0.304 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C(F)(F)C1 1781380154 OAROGMRKNBAVFJ-YCRPNKLZSA-N 485.484 0.797 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1781696014 CJBYEDFRQDEERH-ZDPZECHZSA-N 451.520 0.590 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781857265 AIAYKCRMTMDSFV-DAOMYPGZSA-N 470.523 0.188 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CN(CCO)CCO)CCO3)C2)cc(C(F)(F)F)c1 1782036520 YOJGJNIEJKQSSN-OAQYLSRUSA-N 484.475 0.307 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1)c1cccs1 1782956185 GLNAUKVFPIOCHT-ZARSWLQMSA-N 452.554 0.894 30 20 JCED CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1783227090 AEAKBVCAYQQAEM-DCZWBIAUSA-N 463.531 0.892 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)N(C)C)C2 1783267505 CLRKMVGJBHKHMH-QZTZHPFYSA-N 493.605 0.688 30 20 JCED Cc1cccc(C)c1N1C[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1=O 1783556591 AOELGVXWXWILJT-HOYKHHGWSA-N 453.495 0.574 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1783643672 XFQRTRAQPANPQA-WQTXXOFMSA-N 450.536 0.880 30 20 JCED CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1783673854 SNZTVBOFYOMPOA-MBSDFSHPSA-N 479.578 0.930 30 20 JCED Cc1cccc(C)c1N1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC1=O 1785070505 QKVGLSNJPZPUQY-YRPNKDGESA-N 467.522 0.724 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1785575191 ZRHCIIVIFNPVRU-MZNJEOGPSA-N 488.541 0.756 30 20 JCED Cn1ncc(I)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786694717 HEFVGTURAWSAAL-OBJOEFQTSA-N 483.310 0.922 30 20 JCED O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)NCc1ccco1 1788600927 LAEKPZZHICBFOT-YTIXLSLMSA-N 471.558 0.903 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788659379 KSEYQGLXYCGYNQ-SKHMJCKESA-N 465.576 0.522 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)N4CCN(C)CC4)[C@H]3C2)c(C#N)c1 1789798139 NALZICACYFOAKK-BTDFZRAWSA-N 483.613 0.725 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1789808586 FHXTXGPOTLHQMZ-RABCQHRBSA-N 495.617 0.767 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1791541346 BRUKMIQACQUYIP-XGAJZPNHSA-N 492.580 0.941 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)C2 1793340903 QRSNHRQIIOAWBC-AYMMHLMVSA-N 467.522 0.691 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1793343002 FWXZMDOKBWLART-BOQPXBONSA-N 479.574 0.232 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794088139 FQLBXHPJVLQORU-QKPAOTATSA-N 461.519 0.093 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795855171 PYZBSHKGFOQVQI-PZPPHJHLSA-N 460.535 0.337 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)c1Cl 1796436882 KTLNROFBSIARMX-CWPLJXCYSA-N 480.974 0.840 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797103295 CIQPUYVORHFBKU-AFIMGQEJSA-N 481.513 0.575 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)cc1F 1797742944 KXPYJLMJTOGVGI-GQKLUMADSA-N 480.562 0.904 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1)NC(=O)OC(C)(C)C 1797810780 ZMGUHLIVWWXBES-FFUNNMLOSA-N 496.605 0.086 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[n+]([O-])cc1 1798364683 VTGKUDJJNOQVMA-HUIKVJECSA-N 472.542 0.993 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1799334928 ZUAQPKDHXKOCMW-OUUKCGNVSA-N 484.553 0.583 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1799355489 OQGZVGOVCUFHAZ-MHORFTMASA-N 481.594 0.134 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801008997 LWVUKISQXCLRCW-BBPSPNIXSA-N 481.546 0.108 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2)c1ccc(O)cc1 1801053795 OGKGATZAZSSAGB-TZKYFUQOSA-N 496.608 0.643 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1802483722 RZTFCDFKHGELGE-VUTNTTQYSA-N 452.471 0.461 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1804090218 NUCXFDKPTTWCNV-NTMAZONMSA-N 455.519 0.111 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)C1 1804853606 ZOVQZGPEDMONGZ-WAYWQWQTSA-N 459.591 0.240 30 20 JCED CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)CC1 1809599343 LBNUAZHQPXYLKI-WYFHTRIUSA-N 455.607 0.807 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1812716911 IVKGYKHAJOBPCB-JTHBVZDNSA-N 451.527 0.559 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819892334 ZOYOPRBGEUQJQX-YJYMSZOUSA-N 452.533 0.215 30 20 JCED O=C1C[C@H](C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)CN1 1829306663 WSPCFEONWMSYKR-HFZDXXHNSA-N 478.549 0.988 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CS(C)(=O)=O)nc4)C3)C2)C1 1829667506 ZOSQPAYZCWIZKB-JOCHJYFZSA-N 463.556 0.662 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(C)c(OC)c3)C2)C1 1829773728 RZLYAYRNZYOMQQ-KBDOHKNDSA-N 487.553 0.941 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1829778021 QYYSMIVGEKQLFE-HSZRJFAPSA-N 459.547 0.689 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829906107 USNFRRAMSCZHAF-GBXCKJPGSA-N 488.541 0.400 30 20 JCED O=C1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CCN1 1830470066 PBGIHRKJXHHEJH-JPYJTQIMSA-N 459.930 0.674 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(C)(C)C 1831088163 FQHJXJUKRVUMLY-ZWJWILEUSA-N 462.547 0.706 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1831183758 SZNFLBIFOOYDPR-SPLOXXLWSA-N 497.474 0.957 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831188961 SYIUYAUHKCXXAZ-XDHUDOTRSA-N 472.542 0.480 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1831433077 PHAANFQJGATMOF-SBUREZEXSA-N 461.515 0.919 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)CCO3)c1 1833028464 PIJIMDAHLYVRSX-IQGLISFBSA-N 493.520 0.635 30 20 JCED Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1F 1833703258 CMHQMSOBZLAESV-NRFANRHFSA-N 450.515 0.220 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1834099859 IQNLZQGDSPMTIE-ZHRRBRCNSA-N 463.535 0.949 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834898339 XKCDVYLOXXFVMB-UHFFFAOYSA-N 451.531 0.800 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1835349540 ITVCSBWMELJUHC-QHCPKHFHSA-N 460.552 0.502 30 20 JCED CC(C)N1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CC1 1835675331 NSWLBMVHPAWEBU-DEOSSOPVSA-N 463.623 0.845 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1835676972 GSQQHVLMHCQBQQ-HSZRJFAPSA-N 454.531 0.915 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682202 BRBLWBLMWUGBQO-GLDPYIMESA-N 476.574 0.480 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2csc(N)n2)CCO3)c(C#N)c1 1835797509 SPOQRSZBWRNZFW-QFIPXVFZSA-N 471.539 0.918 30 20 JCED CC(C)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(C)C 1835893866 FYMXKHGOKJVMTR-AUSIDOKSSA-N 451.612 0.747 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)CCO2)C1 1836259683 JSVXPGOAGLAASE-UQBPGWFLSA-N 499.568 0.541 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c(C(F)(F)F)n1 1836321996 UPIRYUWKUKKTHH-JXFKEZNVSA-N 465.432 0.570 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1836468716 PTYICKMSPYNQMD-QHCPKHFHSA-N 461.515 0.906 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836633451 LPPHSRFXFBEGPF-IQMFZBJNSA-N 467.563 0.765 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cnccc3nc1C)CCO2 1836836401 GVYDXWXPNWGMRK-NZHPTEEQSA-N 479.537 0.867 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1837307622 FGRCFDVVXCXSLL-UUOWRZLLSA-N 467.526 0.928 30 20 JCED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1C(F)(F)F 1837443821 RQRXXZABCAITLY-YTFRCDPQSA-N 486.495 0.981 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1OC 1837445111 DMIDKCKYPRCDSY-HBAGGBEISA-N 475.546 0.641 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488914 VACUXEQNLNUGCI-YKSBVNFPSA-N 458.559 0.674 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838567509 AKPJQMWITTWLQM-AUSIDOKSSA-N 480.583 0.860 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)c1ccc(F)cc1 1839038093 PLWCEEFGZVNWIF-WMZHIEFXSA-N 458.490 0.763 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCN(C)C2)CCO3)c1 1839066124 WOYJBNFTVMEGIV-DVECYGJZSA-N 456.543 0.979 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)N1CCN(C)CC1 1839103722 VQHGUSHJHUEUPS-BVZFJXPGSA-N 495.584 0.140 30 20 JCED COc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)ccc1[N+](=O)[O-] 1839137151 ZBJVBMPEHRULAI-VLIAUNLRSA-N 453.517 0.921 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F)CCO2 1839176111 WKFGRBRVHPPLOW-OAQYLSRUSA-N 467.444 0.667 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)c1 1839420561 QARVZDCFALDBAV-HSZRJFAPSA-N 460.506 0.490 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420948 ONDHAHPVXXXOBN-KSFYIVLOSA-N 456.478 0.695 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839436914 UYTAIXVNKLTMBD-DXPRYJPLSA-N 481.557 0.809 30 20 JCED CC(C)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488026 SFYRYINDRSKAON-HSZRJFAPSA-N 454.531 0.893 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn4c2OCCC4)CCO3)c1 1839518450 NQSCBRFRXNMTKB-HSZRJFAPSA-N 451.483 0.921 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1840219509 QDNQECPEUHKRME-RPWUZVMVSA-N 492.573 0.509 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1)c1ccc(O)cc1 1840221718 HEZNOLZBVSNAAN-AUSIDOKSSA-N 468.514 0.032 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1840232873 IMJROORSKCJBCG-WSCWJOSJSA-N 454.527 0.910 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(F)ccc1OC)CCO2 1840248359 DXEPXOIDDWFBQY-WNWNSBFKSA-N 475.517 0.692 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1)c1ccccc1 1840320631 SRIAKIVWIABHGM-YKSBVNFPSA-N 457.527 0.996 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c1Cl 1840447539 OFOOYOMSMFOVSO-OAQYLSRUSA-N 458.906 0.963 30 20 JCED CCN1CCN(c2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)cc2)CC1 1840774517 KISHIBWITPGOTH-XMMPIXPASA-N 455.559 0.812 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(C)n3)C2)C1 1840906866 KUYOLFBKSXLXAT-GAJHUEQPSA-N 476.530 0.970 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1840907390 TZTQDXUIGBHJPT-DVECYGJZSA-N 478.590 0.455 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1846330824 HIPNBDRLGNVLEW-IRXDYDNUSA-N 485.603 0.556 30 20 JCED CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 24376061 JESNZALDHKQHBW-UHFFFAOYSA-N 498.608 0.504 30 20 JCED COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C)c2=O)cc1C 410093878 KLAYTVIVLZUCGG-UHFFFAOYSA-N 457.552 0.891 30 20 JCED Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NCC#N 521751808 IZGZXZQVAAHODP-DLBZAZTESA-N 455.558 0.605 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O 588156600 IIEFRKXLRDRCED-UHFFFAOYSA-N 499.618 0.847 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c1=O 590897231 DWGUVLHSHOBNCF-OAHLLOKOSA-N 467.547 0.790 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(S(C)(=O)=O)cc3)c(=O)n2C2CC2)CC1 604120539 TWVFLEOVBALMQJ-UHFFFAOYSA-N 486.619 0.315 30 20 JCED O=C(COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc([C@H]2CCCO2)o1 727503061 LFGDALHQZQVNJQ-CYBMUJFWSA-N 463.472 0.922 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 729257979 YOTTXAOQMDFUKG-HXUWFJFHSA-N 470.570 0.379 30 20 JCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN(C)S(=O)(=O)c2cccnc2)cc1OC 916923176 JLMVNPIEIIRVRF-KRWDZBQOSA-N 460.512 0.787 30 20 JCED CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918261154 PLWOKXYUZUFDTN-BOLJVCIBSA-N 478.619 0.580 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 1138835677 QFLGEHVFZMRRAK-HOCLYGCPSA-N 456.590 0.667 30 20 JCED N#CCCN1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 1214206098 YHUCQCHDWLSJFH-INIZCTEOSA-N 455.562 0.215 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 1298017216 JBLBMXCPRKVBOP-LJQANCHMSA-N 453.547 0.975 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2=O)cc1 1318075031 WRHNDFUOQPWWOB-LJQANCHMSA-N 496.545 0.987 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN1CCOCC1)[C@H]1CCSC1 1468562620 XUTVPVXWGXREOH-WMZOPIPTSA-N 452.602 0.891 30 20 JCED CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1695499700 VZFYGVDVYOESFL-MAUKXSAKSA-N 475.575 0.816 30 20 JCED COc1ccccc1OCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1697616352 CWWGLCHITOUYLN-SFHVURJKSA-N 489.602 0.934 30 20 JCED CC[S@@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1710918395 RJNPQSXPLUNESI-MWOWJKGTSA-N 459.580 0.238 30 20 JCED COc1cccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1730241759 NPLHRFBZBNZANA-RBUKOAKNSA-N 476.559 0.591 30 20 JCED N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1731187729 XCLUXZDVPYTJTB-QGZVFWFLSA-N 475.506 0.844 30 20 JCED CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1746713895 YLDVOSHZPYADRB-SLFFLAALSA-N 453.565 0.610 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1)c1ccc(O)cc1 1778790432 QYUXHPNCJXFWAM-VNZMSGEBSA-N 473.526 0.784 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)COC(=O)C(F)(F)F)C4)C3)c2c1 1778893931 GYJIDFYZESJIFZ-LJQANCHMSA-N 465.388 0.984 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785321867 RLRAZADPXYKZDD-YGKZAACZSA-N 463.531 0.988 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]32)c(O)n1 1785774672 WNMLMJBXVZDBCZ-WBAXXEDZSA-N 474.514 0.042 30 20 JCED CC(=O)NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368540 IBAUJXZTZMJTTG-GPJHCHHRSA-N 497.596 0.985 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOCC4)[C@H]3C2)c(O)n1 1786721713 LMYVWNVLGRFIII-YYWHXJBOSA-N 458.559 0.831 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791078056 SIVOYZYNVJJODY-DAWKRRPCSA-N 461.515 0.311 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C)cn3)C[C@@H]21 1792261777 QBVDBJLJCKKTSU-BMFAXAFESA-N 459.547 0.930 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccn3)[nH]n1)C2 1792490365 YDXYMXLYAMOAJV-ASLGKTPDSA-N 450.499 0.533 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795288403 ASOYOJSSXYWBRI-YWQQVWADSA-N 484.553 0.726 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795389696 NLDYAQBAOYUNCQ-OYNZLANYSA-N 464.563 0.714 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)c1 1796429097 XTARYNBPSOEURC-RDFGFHAFSA-N 471.539 0.573 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc(CO)[nH]c2c1 1796872070 GHQPDCZUNLXXFZ-VPTLXERWSA-N 456.499 0.768 30 20 JCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cn3c(nc2=O)SCC3)c1 1799072021 HEVNYACTFFOLDU-JHDGKUDLSA-N 493.589 0.986 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2 1799156075 KTNVPUIJGSQFJA-NGKOCFBJSA-N 493.601 0.928 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1799303953 FDMGGBQVBGVTOV-ZSBFGKGUSA-N 460.512 0.469 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)C2 1800985823 PFVWGQGAGFLYOF-SIRPWMCASA-N 457.593 0.920 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1802126360 HGOYSGPQHVIWSI-BVRUVYRISA-N 491.614 0.519 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cccn1)C2 1802127683 WMBURZVOJUMGRE-UJWQCDCRSA-N 459.547 0.950 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CSCC(=O)OC)[C@H]1c1cccnc1 1802478328 RYIYRFFCACIFNZ-WJBDPIGGSA-N 460.556 0.852 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@H]1c1cccnc1 1802482834 PKSFFEORCZVDIK-ZEUIOTOJSA-N 464.482 0.748 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1803544332 ITZFLCXRUXEYQV-FPAYPSAMSA-N 450.561 0.454 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807355938 ZURIIPUGQCHQDL-VDZJLULYSA-N 465.514 0.705 30 20 JCED CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC2(O)CCCCC2)n[nH]1)C(=O)C(=O)O 1819427650 GZCPPOAGDKOYIZ-MRXNPFEDSA-N 459.503 0.643 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1 1819454706 SFQFREVZNBQPEY-KUVJXARQSA-N 466.495 0.995 30 20 JCED Cc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)c1 1823770336 HBTCODAQPAICFE-ZDUSSCGKSA-N 475.494 0.989 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cnc3Cl)C2)C1 1829765199 MBHCIMGPEJWZMP-XSAUMEDDSA-N 462.934 0.972 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1829766092 LKHPZEAVDBPJMH-WEHRJKGCSA-N 465.510 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)c(F)c3OC)C2)C1 1829771067 CZEUUJMLEHGXHV-KSEXMQBYSA-N 479.480 0.902 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)c1 1830456745 SEUREXAOVDOQQN-DEOSSOPVSA-N 472.611 0.996 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1830573635 AYGLNBOZBKRVAS-LKRPIWMCSA-N 494.545 0.041 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1830884156 QIYSTUIKIBBSON-KKSFZXQISA-N 454.524 0.022 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2NC1=O 1831218409 SCXFPYMRZYJICC-VOIUYBSRSA-N 453.495 0.889 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)NC(=O)OC(C)(C)C 1831224221 GZDBVLRYCNMHCB-KOSHJBKYSA-N 493.557 0.313 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1831388803 XRRMAUISDBGCGI-YIGJPRQDSA-N 493.557 0.060 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831571366 ZIHAQZYZXWIHHX-UWJYYQICSA-N 451.596 0.602 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(Cl)c1 1832539192 MRKJWUHEGPUXED-OAQYLSRUSA-N 450.875 0.436 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832788676 CBPWFFHYGBOLHP-AOMKIAJQSA-N 450.536 0.765 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)Nc1ccc(Br)cn1)CCO2 1833027435 MBHRTHCBWNQKMA-FQEVSTJZSA-N 494.346 0.933 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CN3CCSCC3)CC2)CC1 1833061106 JODSMXVEZBGLSU-UHFFFAOYSA-N 464.680 0.889 30 20 JCED Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1833235124 STSQNGFCXLBPNQ-HXUWFJFHSA-N 489.330 0.833 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833238187 HRGWBUJVZCVDSU-HXUWFJFHSA-N 485.972 0.861 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CC2)CC1 1833477003 GPBGCXFWBNOHJC-HTAPYJJXSA-N 474.606 0.620 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c(O)n1 1833700495 ZJVYFOAGGYTAJI-MZNJEOGPSA-N 472.542 0.502 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CN4CC(=O)NC4=O)CC3)CC2)cc1 1833711904 HWYHOMVPBCKPEE-UHFFFAOYSA-N 452.515 0.295 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1833865309 RQONESYKJMRKHA-HSZRJFAPSA-N 460.531 0.197 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834912302 CRTWAHYIAAOLSO-HNNXBMFYSA-N 477.587 0.062 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835289499 FWEUJMMCEBIUHH-DHLKQENFSA-N 456.539 0.875 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835439099 AKQAGNHVNTZEPX-ZGNKEGEESA-N 480.562 0.000 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c1Cl 1835635932 FLGCGSALGHEUOY-OAQYLSRUSA-N 460.922 0.122 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1835677666 SUENRCNJCYYGBS-DEOSSOPVSA-N 485.541 0.369 30 20 JCED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1835797672 FRGXCMXDRVAEDV-SFHVURJKSA-N 454.575 0.970 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836068095 WYEWGJAKIVNTQL-GAJHUEQPSA-N 493.561 0.846 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1837399610 XTCJICKCNJLQQS-MHECFPHRSA-N 476.574 0.316 30 20 JCED CCOC(CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)OCC 1837447685 ROOYQOIESRHPGK-GQBVICOWSA-N 454.568 0.704 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4cccnn4n2)CCO3)cc1 1838421503 BPJHXYJTXKDJPU-XMMPIXPASA-N 460.494 0.914 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)ccn2C)CCO3)c1 1838534834 GTNWLJIQDULUMV-XMMPIXPASA-N 450.495 0.949 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1 1838830909 SQEXCFNKBWUZGY-KHLOOKIASA-N 477.518 0.474 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(OC)cccc1OC)CCO2 1838880839 OAZACDCVRCGZHS-XXXZYALBSA-N 473.526 0.632 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131165 PUNXYWWGHYNEMS-CVUHLLMESA-N 482.537 0.424 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1839173405 NWVUCSVDPNNECV-SBUREZEXSA-N 483.562 0.865 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839224488 KGFKHPHZIMFKGG-IIBYNOLFSA-N 465.507 0.569 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)c(Br)cc1F)CCO2 1839306072 BHPXWYBQTXLYSV-LJQANCHMSA-N 487.253 0.885 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)c1 1839421087 VIRBLSHIRXSEJF-JOCHJYFZSA-N 465.445 0.519 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3c4[nH]cnc4CCN3C(=O)OC(C)(C)C)C2)C1 1839810156 GTONPUGVROYJBY-XXBNENTESA-N 473.530 0.334 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840176187 YPQFSTOJRGAZRX-VXKWHMMOSA-N 453.536 0.391 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1840218860 RQLPIDAVIDVVBB-DNQXCXABSA-N 477.558 0.228 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCS(C)(=O)=O)CCO2 1840549909 RNOQZVYCASSUFQ-OAQYLSRUSA-N 472.680 0.929 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1840818188 PKZQXAZEQPUSIT-JTHBVZDNSA-N 455.467 0.720 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1840845486 YZTHDUYBABJRFA-QPPBQGQZSA-N 459.518 0.743 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1840915661 RXTFFEJFSQCFPX-SAHWJRBASA-N 482.578 0.424 30 20 JCED Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2=O 16776073 HARCRFMLNFUKGY-UHFFFAOYSA-N 452.492 0.996 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H](C)c1ccccc1 515658737 OQERZZGCMOREIP-JKSUJKDBSA-N 451.552 0.907 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c1 604270129 HNSFTHKQEBHBRD-UHFFFAOYSA-N 454.552 0.522 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(N)=O 608910864 TVYWBILIDDLFEH-UHFFFAOYSA-N 453.524 0.107 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(CCN2CCOCC2)c1=O 614911298 NCZGLVZWNSXXHI-UHFFFAOYSA-N 493.545 0.090 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC(F)(F)F)cc2)c(=O)n1CC(N)=O 727160743 JPUPLRLXUOPRAD-UHFFFAOYSA-N 486.497 0.273 30 20 JCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 731126757 LUUCMHPCBZYJHG-IRXDYDNUSA-N 464.544 0.135 30 20 JCED CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 749274645 KZIGMKIJNGTOFJ-HNNXBMFYSA-N 451.501 0.603 30 20 JCED CCN(CC)S(=O)(=O)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 823984662 OJGLSKNHHFAMJC-UHFFFAOYSA-N 471.605 0.236 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1S(C)(=O)=O 853706627 ZBCZKPAEKGMOKN-CYBMUJFWSA-N 465.509 0.810 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@H](NC(N)=O)c2ccccc2)CC1 878468458 MHNUXUYRERKOJK-IBGZPJMESA-N 499.549 0.734 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)nnc12 913166042 GTRFKSODRNYSPB-GJZGRUSLSA-N 498.565 0.978 30 20 JCED COc1ccc(CC(=O)NS(=O)(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 916808960 GEJUPSPSFNHGPP-UHFFFAOYSA-N 479.536 0.635 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)C1 1288977640 QNJKTPZDTUBKHK-BEFAXECRSA-N 467.621 0.738 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1(=O)=O 1301969491 XVYFLIVTTVZXNC-BZUAXINKSA-N 474.609 0.174 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 1442031881 MNHQNZUPVDLHKN-SJKOYZFVSA-N 459.450 0.915 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1503462857 ZNENVCPLWPHLBG-GOSISDBHSA-N 478.600 0.724 30 20 JCED C[C@H]1COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1512555225 LVCYCPJGTNDBIE-ROUUACIJSA-N 481.623 0.462 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1519166964 ZJQCBMDFYBWYOP-GOSISDBHSA-N 464.548 0.731 30 20 JCED CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)C1 1540960931 SPUQVIDEQHUSKD-IBGZPJMESA-N 489.602 0.973 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1555585192 WGKGRNJINVBORW-UHFFFAOYSA-N 453.547 0.834 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ncn(C)n2)c1 1649670303 YZTIHBBVFDAXIZ-IBGZPJMESA-N 459.511 0.814 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C 1693773581 KTJNLDSBPCNPLA-RDJZCZTQSA-N 457.560 0.765 30 20 JCED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1726642020 UTHNEIZCTKCSHC-INIZCTEOSA-N 467.530 0.678 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1751096199 NOROOEIMMRQBKZ-KGLIPLIRSA-N 467.518 0.843 30 20 JCED CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1767417094 VRHJQCLZKHXBCW-NRFANRHFSA-N 467.592 1.000 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778869818 HLFPYEIHZPDHML-KWTXFRCGSA-N 454.483 0.409 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1779106872 WTUZWYVABUIINJ-ROZQTZPBSA-N 470.486 0.062 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1)c1ccc(O)cc1 1779317273 HVMZDONUEBVYLQ-QFZWGZQFSA-N 471.554 0.870 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)cc(C(F)(F)F)c1 1782034235 PTVAEJKRIWQORP-OXJNMPFZSA-N 467.448 0.613 30 20 JCED CS(=O)(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1782719889 DJZIHINWVFMZOD-XBMHIATGSA-N 459.565 0.464 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1782893715 RXYAZRYTVBLKPV-HXOBKFHXSA-N 479.578 0.882 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1783223232 ZPYRQPRWCPQFGJ-KSFYIVLOSA-N 463.531 0.686 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnc4nc3O)C[C@@H]21 1783530578 HPOYLJZUUSKNJI-OIMABFAESA-N 465.510 0.787 30 20 JCED COc1ccc(/C=C/C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(OC)c1OC 1783558195 PSWTXVWAUJCSMO-BVBLWJPBSA-N 458.467 0.644 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3c(C(F)(F)F)cccc3n1)CCO2 1783563493 SHBCMSIVQUUNPK-LJQANCHMSA-N 450.373 0.885 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C2)C1 1783883878 MRHSVROFHIOBQZ-KSFYIVLOSA-N 464.519 0.255 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CCO2 1783920501 SVKRWWCFTJXLQQ-QFIPXVFZSA-N 463.556 0.727 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C[C@@H]21 1784486501 CSXBIIVHIAPQMF-VPAKFMSCSA-N 495.573 0.461 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(I)c(O)c3)C2)C1 1785270397 JAYQHIAJSKYXTB-GOSISDBHSA-N 484.246 0.528 30 20 JCED Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2Cl)CCO3)c(=O)nc1O 1785352880 BCJCTLDCERGJDP-QFIPXVFZSA-N 471.901 0.926 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785786393 HPAWPKPLCIVXCM-OVWQWFNUSA-N 461.588 0.320 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786701747 PKPUYXCBUMNYSQ-UOMKDKRUSA-N 484.619 0.932 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)cn1 1787251064 GAGUBPVDRQZOFK-QRFRQXIXSA-N 471.539 0.733 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cnn2ncccc12 1787376250 URAZRFXZSJBBLX-UWDOHLRBSA-N 456.503 0.852 30 20 JCED NC(=O)c1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788660471 REYQFNBYZARTDA-OFFMPPFZSA-N 458.515 0.908 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NO[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)[C@H]2C1 1791010412 MKBJNHUOQWPFAJ-PWDLFRTRSA-N 460.531 0.755 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC)C[C@@H]21 1792258144 UCYFDPGASRGKTR-QTMHVTGLSA-N 450.580 0.881 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]13C[C@H]1CCN3C(=O)OC(C)(C)C)C2 1792490012 DSUSDHLODISQBV-ZRKSVZLYSA-N 488.585 0.834 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1792568032 CVJNNTIGHFMWDB-UAQUTRPGSA-N 492.573 0.939 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1)C(C)C 1795411413 NIWAVQUNXWNPSF-PJVZLEMVSA-N 489.573 0.251 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)n1 1796618045 KRQRQMBDLTWDJW-DCXXXQMHSA-N 459.547 0.922 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799151854 UJSZJBXOUVDSGR-SZBFSHRDSA-N 462.547 0.506 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2 1799331987 HTJMRONRXVILNV-IYWMVGAKSA-N 482.541 0.889 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C(F)(F)F)nc2ccc(F)cn12 1800127181 LYDOKHXGGHWTLR-CULMDFNYSA-N 468.363 0.783 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1801883431 LOEWIUSPTJULOE-JHDGKUDLSA-N 489.594 0.714 30 20 JCED COc1cc(N2CCC(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)CC2)ncn1 1803297687 QEIGFUXVFWJHFH-DVECYGJZSA-N 492.536 0.891 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1807025377 AMPXTZXRADRRSW-KVTBDSROSA-N 466.479 0.284 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1808405835 OTOULFPHPACEIN-CTNGQTDRSA-N 490.630 0.795 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815672219 DHMWYEVLKRASLG-WBVHZDCISA-N 468.580 0.933 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)n(C)c1=O 1825102138 GZOCQVOANOAWOF-KRWDZBQOSA-N 483.573 0.603 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCN(C(C)=O)CC2)CC1 1828488099 PWAOXYXSQDVARV-KOIKXXGWSA-N 473.618 0.629 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828969779 OGHVOGUDJASLIK-MHECFPHRSA-N 486.573 0.513 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1829355925 DOYGXIPFDMORLO-DHLKQENFSA-N 486.569 0.665 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCS(C)(=O)=O)CCN2C(=O)OCc1ccccc1 1829410524 XWBWSMJYTKRNOG-JOCHJYFZSA-N 461.540 0.506 30 20 JCED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)cccc1=O 1829630158 VFFOCJHFOUPAOI-VWLOTQADSA-N 464.522 0.960 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1829763799 BKPOGNOZXHNLRY-CIRMQIMFSA-N 463.560 0.094 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccoc4cn3)C2)C1 1829771192 LBMZDXNILUYCSM-GYLQWBMOSA-N 454.483 0.756 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccc(OC)cc1)CCO2 1830217783 TVUPGBQQAUIJTH-URXFXBBRSA-N 476.526 0.694 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831387893 SKVLDGOGEKFUAM-YADARESESA-N 472.542 0.027 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2)NC(=O)OC(C)(C)C 1831614185 GCBYIHPHOATUJW-RHGYRFJNSA-N 496.605 0.814 30 20 JCED CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)N(CC)CC 1831664066 OTCOCZNOYGDBNB-CVDCTZTESA-N 451.612 0.845 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1832003777 AVUZBPLPGKQFRJ-DGGJZMOXSA-N 482.578 0.921 30 20 JCED C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(F)(F)F 1832160750 PKHAQOFWRYZEEL-KYEHVDMXSA-N 467.441 0.285 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C[C@@H](N)c3cccnc3)CC2)CC1 1833076130 YTDBGSPJOHMRRP-QJKPHDSHSA-N 468.602 0.902 30 20 JCED CS(=O)(=O)c1ccc(C(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CC4)CC3)CC2)nc1 1834000377 FHWIMMVPPNWGQF-UHFFFAOYSA-N 459.572 0.974 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835110164 MYPQCBKYDSDCSU-DAYGRLMNSA-N 463.604 0.399 30 20 JCED COc1ccc(OC)c(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1835275408 LNKNIEBLUWNQRU-HSZRJFAPSA-N 460.483 0.181 30 20 JCED CCOc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835667756 PGLCCEGJTDIMDU-HSZRJFAPSA-N 459.547 0.832 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1835674738 LFHWOFRLMRNUFQ-QHCPKHFHSA-N 454.531 0.915 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835675580 WVBYOESXPYGPDL-UQBPGWFLSA-N 489.617 0.516 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(O)c1OC 1835680562 KSXDOIJKRKHWGK-DEOSSOPVSA-N 490.557 0.761 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncncc4c3)CCO2)C1 1837022530 AVVUONIPHYNFBQ-XMMPIXPASA-N 466.542 0.982 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1837122489 NOGGSAFLARRBJR-ABBHQSEISA-N 454.531 0.876 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1837396886 OEUPTLOBJJLDEI-UZUQRXQVSA-N 472.546 0.384 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1837525337 UNTAYCMHKSJVQX-FLSHMKOJSA-N 456.883 0.927 30 20 JCED COc1cccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837525356 UYCDSRAYMIQKLR-LPEYTCNWSA-N 476.530 0.618 30 20 JCED CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)C(=O)O 1837885377 TXRAIEJRIAMSMF-GXDFBKAQSA-N 451.568 0.519 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1I)CCO2 1837963291 IJVOIRZCMHQFAE-GOSISDBHSA-N 484.294 0.498 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)c1 1838579659 XDHJBXPWWUPGSM-RUZDIDTESA-N 495.536 0.785 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)cc3nn[nH]c13)CCO2 1838617870 LWKAZNSRYDPGEI-LJBSOROUSA-N 488.932 0.540 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)N1CCN(C)CC1 1839103117 FRBHHRQOUDWWFX-CJFMBICVSA-N 469.586 0.459 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CC(N)=O)C3)C2)c(C#N)c1 1839131272 ABNTVQSQPYZZTN-QMHKHESXSA-N 458.515 0.077 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1839173995 ZIVPUTZTKMBSTK-OFVILXPXSA-N 471.554 0.667 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc(Cl)cc1[N+](=O)[O-] 1839432530 NKGNRKJPDRLKRX-HXUWFJFHSA-N 465.846 0.715 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ccc1NS(C)(=O)=O)CCO2 1839440715 HLQBNRFPZGFBKX-IBGZPJMESA-N 455.920 0.415 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4nc5cc([N+](=O)[O-])ccc5[nH]4)CCO3)C2)CC1 1839482449 MCTNWXKXULTKIB-NRFANRHFSA-N 454.443 0.845 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(C(=O)O)ncn5)C4)C3)c2c1 1839487485 KWNUYGPBPPHIGT-QHCPKHFHSA-N 491.464 0.307 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1)c1ccccc1 1839663815 PSCVGKUFAMDSSN-GJZUVCINSA-N 478.549 0.897 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)[C@H]2C1 1840011312 SWXGGVXOGPSVMR-NRAIQUKZSA-N 492.573 0.628 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ccccc3[N+](=O)[O-])C2)C1 1840044184 OZLZDXFPQLCBIP-FQEVSTJZSA-N 463.468 0.231 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1)c1ccc(O)cc1 1840220149 ADPMUCBZOQITAE-CJFMBICVSA-N 486.569 0.617 30 20 JCED CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CC1 1840818093 JLGUOKSKSBYVEY-DEOSSOPVSA-N 456.543 0.735 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840819729 BRZQKWZDJDTOSQ-NRFANRHFSA-N 470.442 0.339 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCCOC3)CCO2)C1 1840879717 ZROMHGQMEGFIFD-JXQFQVJHSA-N 479.574 0.786 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880069 VFZMQXHMUPFNGN-XPVDNZQDSA-N 462.499 0.864 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)cc1 1840895181 KBBQHGHOISCPLR-JOCHJYFZSA-N 488.591 0.417 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(C)=O)C1 1845992147 NGGNLYNIAOUHTA-INIZCTEOSA-N 481.550 0.131 30 20 JCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 17223539 ZTJPVAMGGBECBH-UHFFFAOYSA-N 486.550 0.872 30 20 JCED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 26754421 MTJLRHFEQQFKJL-QGZVFWFLSA-N 470.573 0.384 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cscn2)c1=O 497581280 VQYQUUNJWLVTOP-AWEZNQCLSA-N 450.611 0.918 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C1CCN(C)CC1 516832107 VDBISRNRFNVZEZ-UHFFFAOYSA-N 477.590 0.990 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2F)c1=O 523476807 NZCVFYMETBFRKR-UHFFFAOYSA-N 458.559 0.753 30 20 JCED C[C@]1(c2ccc(CNC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2)NC(=O)NC1=O 523930142 REMKQQHRLSWIHP-HSZRJFAPSA-N 496.549 0.829 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2C2CC2)CC1 590997078 TXWZVWITBYLBMO-UHFFFAOYSA-N 453.524 0.820 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2F)c1=O 603796645 VIYXUQZSFIGVTA-UHFFFAOYSA-N 458.559 0.656 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H](C)c1cccs1 608829825 MLCQSCGZLSNEOE-ZIAGYGMSSA-N 457.581 0.968 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cc1 609333634 WZUNGRVBEFLKDD-UHFFFAOYSA-N 472.567 0.051 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CSCCS2)CC1 749403656 AQUOTQPFOLNPSD-OAHLLOKOSA-N 455.583 0.783 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1 769844032 VSTQUGAJCWFLDD-UHFFFAOYSA-N 456.480 0.911 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(C(=O)OCC)CC2)ccc1F 914658871 MWLDCYLHYVCYJM-UHFFFAOYSA-N 457.480 0.748 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 914994959 AGWIYUHMVZESAC-UHFFFAOYSA-N 484.538 0.700 30 20 JCED C[C@]1(C2CC2)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 917013067 GWBQDAMKVGTSGA-VGOFRKELSA-N 468.470 0.673 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 917355319 FYWMKMZLWAHOQH-UHFFFAOYSA-N 483.638 0.828 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 918277601 FLACDAHKYJKMCL-HDHZYAPQSA-N 470.573 0.521 30 20 JCED CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1286934914 KBQLMIPQQXZPFT-UHFFFAOYSA-N 489.602 0.973 30 20 JCED CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1295250647 RNJDNKHOYKURMK-UWJYYQICSA-N 461.544 0.894 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1503377091 KNDFMFVYDVUXRG-YTTGMZPUSA-N 455.588 0.938 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCN(Cc2ccccc2)CC1 1509693590 IVFWYJSTHCFXGZ-NRFANRHFSA-N 466.590 0.963 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 1617869598 DDIGVRCBXSJNIZ-GHTZIAJQSA-N 476.559 0.270 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722479566 JSUXEZSMCZVBIA-ZDUSSCGKSA-N 490.428 0.198 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(F)ccc1N1CCOCC1 1741946270 ZLQFPCOASKFZIQ-QAPCUYQASA-N 493.565 0.641 30 20 JCED CC1CCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1752264937 WNZZNODGEGKSLI-ZWKOTPCHSA-N 467.596 0.072 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1768294348 WQETWCGSXUVXTR-LJQANCHMSA-N 454.560 0.933 30 20 JCED CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1 1769380638 RSOMAMGOHDMNDC-GOSISDBHSA-N 451.578 0.949 30 20 JCED CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1770351976 ZVVYCFZZYAEFBY-UHFFFAOYSA-N 478.600 0.912 30 20 JCED COc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1770373799 TXVKDXQBNTWYSK-QZTJIDSGSA-N 462.532 0.397 30 20 JCED N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N2CCOCC2)C1 1771530603 OVRSKWWBAFQTLC-FQEVSTJZSA-N 461.523 0.960 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)ccc1Br 1778002801 GEWRHLNRDSVORN-SQGPQFPESA-N 464.364 0.734 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1779337737 AITXRUDBVLLXDX-YOSAUDMPSA-N 462.635 0.853 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c1 1780061684 SHYLNUREMLSZKQ-DEOSSOPVSA-N 474.477 0.727 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(=O)O)ncn1)C2 1780736456 AHEFLCJUDNTMLD-VGOFRKELSA-N 460.487 0.812 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)c(C#N)c1 1781093938 DAVVTHCDWFJTME-CLOONOSVSA-N 469.586 0.575 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781188383 SZWSPNVHQWTISH-HJPURHCSSA-N 478.546 0.967 30 20 JCED Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(CC#N)cc4)C3)C2)c(=O)nc1O 1781793513 IMXZPEVCPAKZBO-HSZRJFAPSA-N 451.483 0.467 30 20 JCED CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c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c3ccc(C)cc3)C[C@@H]21 1783530081 DOMVXXIQGXDMSY-VBNDLKKDSA-N 489.594 0.607 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCN(C(=O)OCc3ccccc3)CC1)CCO2 1783565797 ZGIZWFJVHXALLL-VWLOTQADSA-N 483.521 0.953 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1783731576 IPCJLEASRXZDJE-YADARESESA-N 471.558 0.783 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)C1 1784015842 VPHPTSILXYQBIW-BJKOFHAPSA-N 493.605 0.470 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2)NC(=O)OC(C)(C)C 1785306986 SPIWKLVQTQLMBW-LNPFQXMTSA-N 493.561 0.274 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1785596502 XQMLZTJPZPMIGW-NPFVIJTESA-N 460.535 0.577 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)c(Cl)c1 1786979105 LNYSULRRTBGOTM-YEWWUXTCSA-N 481.900 0.850 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1789838814 WNTQAWXNXLQQRD-MUGJNUQGSA-N 478.590 0.799 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1791143112 TZHCXVFNAHBNBE-JNEMPRBOSA-N 498.621 0.134 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]21 1792175852 SQCGDVXAHFSYDG-ULQDDVLXSA-N 497.556 0.520 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1792527824 NDLGSXJELMQKQJ-OUUBHVDSSA-N 491.585 0.783 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C1\C(=O)Nc3ccccc31)C2 1795598945 GSLAGCGJZQFAEX-GUDKQPBSSA-N 451.527 0.894 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)C1 1797145751 STOWRZUUOOIUCS-UBGAUGEBSA-N 480.562 0.972 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1799071175 WJLBCWXDAUVDOJ-HXFPYSNGSA-N 452.433 0.654 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1799390927 DFQHLPPJMCKERR-NRSFXHEJSA-N 458.581 0.049 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)n2ccnn2)N(C(=O)OC(C)(C)C)C1 1800270875 APLSTFWGDIQWSD-OYSTVDSJSA-N 474.562 0.994 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1800453983 WJAZDPXEHSUZGM-DLRJPAPCSA-N 473.526 0.756 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1800984859 JEMZWVCHCXPFLK-VCRDIIESSA-N 471.620 0.902 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801009034 MVSZFAITTZCWSA-XWSCJBKMSA-N 495.573 0.661 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccnn1)C2 1802127459 GSNWSOLUHRCUMG-UYTYNIKBSA-N 460.535 0.345 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2nc3ncccn3n2)[C@@H]1c1cccnc1 1802479831 DLBFPMWBSLHCNZ-LDBCMITESA-N 460.498 0.697 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1803546211 WCJBZFAYXJVQBP-OXFYSEKESA-N 450.499 0.379 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1808293645 BIUUQADUUDSCRR-PGHKVSDBSA-N 452.471 0.461 30 20 JCED CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1)C(=O)O 1810328142 VRQVFNLICGFVTH-JQVVWYNYSA-N 456.543 0.849 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1810360699 RDLDNHHDWUFKRY-DJAIHLKASA-N 472.502 0.215 30 20 JCED O=C(CN(CCO)CCO)NC[C@@H]1CCN(C(=O)/C=C/C(=O)c2cccs2)[C@H]1c1cccnc1 1812715569 VYHCBNIHUCWBKN-FKXJXIBSSA-N 486.594 0.875 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@@H]1c1cccnc1 1813062710 KLGWDGMKRCMZLG-CFRIOWMOSA-N 458.515 0.562 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330768 ZDXIHTSJYXKTJX-QWRGUYRKSA-N 458.504 0.901 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)c1 1823852298 BRDYSLLBDKXUJA-SNVBAGLBSA-N 465.484 1.000 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825660955 ZQNSVNIXDDNCLJ-UHYGZKCKSA-N 470.507 0.323 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)CC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828593295 AQEKPXOHBSWFGJ-XMERXJNXSA-N 498.580 0.988 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCN2C(=O)OCc1ccccc1 1828982043 BRGYSOOPWPBZBY-DEOSSOPVSA-N 468.558 0.855 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCN2C(=O)OCc2ccccc2)C1 1829014197 QAUKWLSCQRYWHO-YADARESESA-N 495.540 0.164 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1829766421 YHHFGYDKCYFLED-XBKFQHLESA-N 453.499 0.491 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1829770557 YAMBXBQQPKWBQW-MAZQNEQHSA-N 484.509 0.036 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccc(C)c34)C2)C1 1829771502 SMXWKCVSVUKXDH-WNWNSBFKSA-N 467.526 0.571 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CC1 1830467362 ZDOLXCYEMMSYND-RUZDIDTESA-N 489.016 0.785 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC[C@@H](C(=O)OCC)C3)C2)C1 1831388452 SXQAADMBAKZBIR-KTIHBUSBSA-N 464.559 0.851 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1831998459 NESXZVYFRZBRNX-KOSHJBKYSA-N 489.573 0.945 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)ccc1F 1832729424 DGUBZFSQXKOWCK-VWLOTQADSA-N 495.511 0.521 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)c1 1833398680 RIOFUFMUCBGRFJ-DEOSSOPVSA-N 483.546 0.607 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1833473954 SRTFGJIRKFEACA-INIZCTEOSA-N 458.563 0.403 30 20 JCED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833488437 FJMUKUTWRVQYRT-NRFANRHFSA-N 450.605 0.828 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(C)C(=O)CC4)C3)C2)c(O)n1 1833696867 RGMBMDXNADYEII-DEOSSOPVSA-N 485.541 0.584 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1835682614 MVVBDAWRWGJUKQ-XMMPIXPASA-N 482.541 0.687 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835840277 JOLFUDLVBGCHBO-NRFANRHFSA-N 452.596 0.692 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836050140 CAVXTBYFIQCSCG-OAHLLOKOSA-N 459.551 0.562 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4sccn34)CC2)CC1 1836075833 GUKNJOJIERIBQX-INIZCTEOSA-N 471.583 0.980 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836100013 WRRNISRAJFLLJA-QGZVFWFLSA-N 466.542 0.313 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836320549 GEHJQENFKOZOEW-HXUWFJFHSA-N 498.462 0.313 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836321708 CJXXWCAKJXCWBK-QRWLVFNGSA-N 498.462 0.489 30 20 JCED O=C1NC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)O1 1836902193 SWBUNORMAPFSGG-TYEVOWRTSA-N 452.508 0.622 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837443799 RIGWFSFVLXHXSY-SGCYSOCQSA-N 455.519 0.271 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)ccc1O 1837531225 DYTGBEIQULFGNZ-VHZQKOCRSA-N 477.514 1.000 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837759223 WWJNLZQJUJJYMU-VWLOTQADSA-N 486.569 0.694 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N(C)C)nc1)CCO2 1838196447 HSJDQSCSIBAJLA-HSZRJFAPSA-N 460.531 0.727 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838377727 HEILOVYOQQCGFI-JOCHJYFZSA-N 453.455 0.203 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2Cl)CCO3)CC1 1838596068 MDIRMKFNCJWBMI-XMMPIXPASA-N 490.004 0.919 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838626192 LSBHDHXTJRFSHS-QRQCRPRQSA-N 477.470 0.985 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)ccc1F 1839186573 CJPIDKLDUUHNIL-DEOSSOPVSA-N 484.484 0.011 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839413943 DBCCIJBPSIUMGZ-GCJKJVERSA-N 463.487 0.944 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485913 BZLCIJLNFVYKBI-MWTRTKDXSA-N 451.483 0.543 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc[n+]([O-])c5)C4)C3)c2c1 1839487403 HJQBWNTXIOOBDZ-QHCPKHFHSA-N 462.466 0.452 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)ccc1Br 1839873462 XGPYCLINIDEMLZ-HRAATJIYSA-N 491.342 0.527 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCCCC1 1840042724 LMHYJBAMASKZOB-QHCPKHFHSA-N 493.557 0.758 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncc(C(F)(F)F)c3)C2)C1 1840044529 ZZCHQMJBALYCIA-HXUWFJFHSA-N 469.416 0.577 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840169119 KRNZSFNWUGTGPB-FDDCHVKYSA-N 467.563 0.522 30 20 JCED O=C(O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1840192530 NCIOEQYIMVFYGF-YADGQWAMSA-N 468.553 0.761 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c(C#N)c1 1840380939 CNCWPAIRCFBIOA-QFIPXVFZSA-N 486.554 0.476 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1840384742 KNNMWOJGXCVFIK-DEOSSOPVSA-N 458.559 0.818 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCOC3)CCO2)C1 1840540307 UIPCTWIBUZOCOA-IXFSTUDKSA-N 467.563 0.949 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1840548212 STWBMFFUUFQPAV-NRFANRHFSA-N 468.959 0.583 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)nn1C 1840818983 IHZVFGHBMAVZEN-HSZRJFAPSA-N 453.499 0.749 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)nn1 1840819725 BREXUILHUGRZEL-DEOSSOPVSA-N 481.509 0.896 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)C(F)(F)F)C1 1846400662 DDFMEZDTCVSOJR-ZDUSSCGKSA-N 460.453 0.785 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2CN(C)C2)C1 1846716673 WZTZRGGQUQIFOE-KRWDZBQOSA-N 479.578 0.557 30 20 JCED C=C(Br)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847450215 OALQHZPFPIXVGE-AVGNSLFASA-N 462.341 0.691 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)cc1 512434442 XLSIFRRAAGWKHT-OALUTQOASA-N 458.540 0.956 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCc1ccccn1 523178248 JQAOCGCTMBBBGH-UHFFFAOYSA-N 491.529 0.818 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc4c3OCCO4)c2=O)cn1 523864465 UOANFQQEGUQBBK-UHFFFAOYSA-N 493.545 0.248 30 20 JCED CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 560857420 FVJGWZUYTJHWNO-UHFFFAOYSA-N 464.569 0.981 30 20 JCED N#CCc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 603650752 PTNOOKHXTOSVGO-UHFFFAOYSA-N 463.541 0.938 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(N)=O 727161079 OGHZDKYAYDDIFE-UHFFFAOYSA-N 494.577 0.887 30 20 JCED N#Cc1c(CCCNC(=O)NCCS(=O)(=O)N2CCOCC2)nn(-c2ccc(F)cc2)c1N 748108250 WAVAXVUBSWJXNQ-UHFFFAOYSA-N 479.538 0.359 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cn3ccccc3n2)CC1 748172282 RBUINVJIMPLCOU-UHFFFAOYSA-N 453.480 0.896 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCNS(C)(=O)=O)n1 1290646025 MMISFDFKUAHXLD-UHFFFAOYSA-N 483.602 0.887 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1301759819 QBDZQNPLIKHWEH-GOSISDBHSA-N 458.544 0.832 30 20 JCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)CCOC1 1502718958 UYCNBGMQOPUFJW-WIYYLYMNSA-N 481.623 0.435 30 20 JCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1503367085 KLFJLDVXOWUJON-UHFFFAOYSA-N 475.575 0.679 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cc(Br)cn1 1510197498 XOTOGCPAGDVGNM-XHDPSFHLSA-N 475.348 0.989 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1545148394 LNBJKOCPFGOAEM-RZQQEMMASA-N 468.580 0.281 30 20 JCED Cc1nccnc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1707795002 RMJCGPXKBMIHPZ-VQIMIIECSA-N 464.527 0.394 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 1749884966 OEHSALFEMCKZQK-HSZRJFAPSA-N 450.547 0.683 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)[C@@H](C)C1 1760617990 CORZOMKJUGOIJE-INIZCTEOSA-N 475.575 0.677 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(C)(C)N1CCOCC1 1761498620 HIJAQXSNLAXWLJ-AEFFLSMTSA-N 480.639 0.176 30 20 JCED CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cn1 1764931644 VERGFYLZVIOMFL-NVXWUHKLSA-N 462.580 0.907 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1779316507 FZRHBDIZBBYAID-DRSNIGMVSA-N 450.584 0.490 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CC[C@H]3CCC(=O)N3C2)C1 1780603856 QPJKUPAELXMWBW-KONCMVFOSA-N 472.586 0.760 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1780876248 YSUFQBOOCANVBO-XBKFQHLESA-N 458.490 0.843 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1781265951 XUQNOYUIMZLFTE-QFIPXVFZSA-N 479.555 0.579 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1781861826 VNEIWTBTYDHVRT-VGSWGCGISA-N 462.478 0.984 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)C=CC3=O)C2)c1 1782315858 DTYINAYJAQQFLY-NTKDMRAZSA-N 466.494 0.619 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c(O)n1 1782659299 VFPOMFWHNCSMOS-HSZRJFAPSA-N 453.499 0.606 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782962071 UKMBTSKRKLDFBR-DRSNIGMVSA-N 485.603 0.863 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)C(C)(C)S 1783166877 NUGSJPJOBILCHJ-YGHRGLEHSA-N 484.619 0.554 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567679 WHIUNVXDOHRBMQ-IRBZQWRBSA-N 461.515 0.551 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)[C@H]2C1 1783820285 XPDZFNLGPRRURY-HLPXXCTFSA-N 464.563 0.738 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c(C(F)(F)F)n1 1784115034 APDDKKKHXUYUOL-HXUWFJFHSA-N 477.399 0.341 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)C(C)C)[C@H]2C1 1784192722 KGRIHECAZYTJHS-OYSTVDSJSA-N 451.564 0.900 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C[C@@H]21 1784477477 CVIOPRSXQTZGHO-SEONNTABSA-N 467.522 0.691 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784747745 LPUSPMBDBLNCEZ-URZJWIJPSA-N 485.603 0.720 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)C3)C2)CC1 1785245332 IGGMYGCNXPGFKE-HSZRJFAPSA-N 488.566 0.455 30 20 JCED Cc1cc2nnc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C[C@@H]43)c(C)n2n1 1787910521 KUIYRSUCBBFQDM-OIROCEHISA-N 485.545 0.863 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)[C@H](C3CCOCC3)C(=O)N4)C[C@@H]21 1791076425 CRGGGXGHBMBMKW-FSJWIPBVSA-N 495.532 0.830 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1792146065 CLJAJMSGGJPRLM-ZOBUZTSGSA-N 454.443 0.862 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1792527825 NDLGSXJELMQKQJ-SWBPCFCJSA-N 491.585 0.783 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)C2 1793354441 VUJQHOVUYWLGPA-NSAZKJPHSA-N 473.574 0.882 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)CC1 1793664986 DHHKSKONNGEQPM-BJWYYQGGSA-N 464.563 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)c2ccccc2C1=O 1793860622 JEHVZTKSMXHVJL-XXGILCFXSA-N 480.521 0.121 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)c1ccccc1 1795299575 OPTVWWACQVRYEJ-ROAZTASUSA-N 475.567 0.298 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)[C@H]2C1 1795412443 DOXRWPHPYBKUQT-RWLNFDPSSA-N 474.558 0.762 30 20 JCED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCCC#C[Si](C)(C)C)c(=O)nc1O 1797731480 ZYTQGOLJJUTPOA-RMFSNUHRSA-N 474.634 0.898 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nc1 1798646281 QFVPVTMRVLKAQK-SFNKJDCFSA-N 458.515 0.907 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(I)cc1F)C2 1800778722 NRDSBKOHRXBCRW-YQYWCBKUSA-N 486.237 0.722 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2)c1ccc(O)cc1 1801056668 OGKGATZAZSSAGB-IQXSCUCBSA-N 496.608 0.643 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCSC)C2 1802126639 MDXJJRZZJBZNKB-MDMSPXHWSA-N 469.604 0.607 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)C(=O)Nc2cccnc2)[C@@H]1c1cccnc1 1802485000 ZXPAMVRXQYWARN-HTJWAQAGSA-N 462.510 0.980 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807623572 KUJDYYDXKGVCJP-BJLQDIEVSA-N 482.545 0.691 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1812667909 JKUGLWWASFRPNG-BBRMVZONSA-N 458.429 0.739 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccccc2C(=O)OCCO)[C@H]1c1cccnc1 1812877465 JGKJMHJIXBNSAL-VGSWGCGISA-N 465.462 0.638 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822995609 PLCKYWBBWGARSL-HIFRSBDPSA-N 466.560 0.981 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cccc([N+](=O)[O-])c3=O)sc2C1 1824713862 HDPDRVKRNMHULM-OLZOCXBDSA-N 459.484 0.864 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)cc1 1825318715 BBKJEUOBMYILRI-GOSISDBHSA-N 471.583 0.846 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCN2C(=O)OCc1ccccc1 1829042111 OEESLBGXFSIAFE-CYFREDJKSA-N 466.494 0.055 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1829263017 DCGSJBWNJXCUAN-JPYJTQIMSA-N 455.515 0.519 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(N(C)C)c3)C2)C1 1829768793 HVVCWRLBLKNHSV-RRFNBQSRSA-N 486.569 0.690 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cc3F)C2)C1 1829771268 OVVNLXWYUUKFCV-IYZQMXKPSA-N 463.481 0.822 30 20 JCED COCCOCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830060113 HRZGLABDMRKOSZ-QHCPKHFHSA-N 485.578 0.079 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831456650 SEKWBVOXFNZUBK-OFGRBQKGSA-N 484.596 0.624 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831965953 OPCAALVLMQUHHC-WIPYJQQXSA-N 468.457 0.959 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1831999406 XLAAKPXTRXLYQD-ZHRRBRCNSA-N 468.551 0.048 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1832462744 VFMKKWQUZKEGSG-PKTZIBPZSA-N 499.630 0.734 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc(OC)nn3C)CC2)CC1 1833073867 LWXJGFCWMQDFDP-WAYWQWQTSA-N 458.563 0.472 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3ccco3)CC2)CC1 1833076132 ZCJWWFLOTYZNPO-WAYWQWQTSA-N 471.558 0.439 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)c4cc5n(n4)CCNC5=O)CC3)CC2)cc1 1833106386 NYTOMWKIZVAMCM-UHFFFAOYSA-N 489.580 0.926 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1833106651 DNPQHZZRBXKQRP-YADARESESA-N 487.557 0.887 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1833272491 OSDOUKXQUVUZLH-SFHVURJKSA-N 463.579 0.747 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1833396047 CCGANULCCSPCAF-FQEVSTJZSA-N 469.585 0.474 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(OC)cc1F)CCO2 1833628669 YLBFJLZMPSGJOX-XSAUMEDDSA-N 462.478 0.158 30 20 JCED CCS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715515 MTBCCZJBTLEDDA-UHFFFAOYSA-N 455.625 0.275 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835352030 KPKIMWVXUWNSKL-AVRDEDQJSA-N 478.571 0.422 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1)c1ccccc1 1835636609 UNMHKGIFGDLLGA-OFVILXPXSA-N 467.570 0.480 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1835682653 OYULPQDWCMRJJO-JOCHJYFZSA-N 455.519 0.310 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1835710212 MFQKMWVDNIQADS-QFBILLFUSA-N 451.612 0.839 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835769259 ONAJIOXHDMVYJC-TUGUMKMLSA-N 463.579 0.778 30 20 JCED N#Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)N4CCOCC4)CC3)CC2)cc1 1836287321 HTZGPXIGNLIKQV-DEOSSOPVSA-N 455.559 0.394 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837046829 BOYBYSAANGPQFE-GQBLCDNYSA-N 479.534 0.066 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837398781 IJJOAWFDARBZLZ-VEYNRMQPSA-N 453.536 0.545 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1837431516 SCEIEIQJVYPRMU-IPJJNNNSSA-N 451.640 0.217 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1837790355 RVZRFMGKKKXHOQ-INIZCTEOSA-N 454.531 0.897 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)CC2)CC1 1838210914 IKOBSPGPBXRACY-UHFFFAOYSA-N 454.483 0.755 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)CC1 1838386987 XMGODNOXDWEUBR-LJQANCHMSA-N 476.574 0.829 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c1Cl 1838595127 IUPVEXPJARHPMI-AOMKIAJQSA-N 460.918 0.808 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1838603722 AMUXLWLUOGHXCY-HSZRJFAPSA-N 467.482 0.162 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)CCc5cccc(C#N)c5)C4)C3)CC2)CC1 1839106149 FLEIOTGMKSVJNS-SANMLTNESA-N 495.624 0.727 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)c(N(C)C)c3)CCO2)C1 1839114415 QSQOJKSUSXJCSV-UUOWRZLLSA-N 459.543 0.870 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)c(C#N)c1 1839131847 CMNIJRMZEZNWTP-RUZDIDTESA-N 496.520 0.589 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c(C#N)c1 1839132479 GWWUHGPDJCREDR-REWPJTCUSA-N 491.566 0.143 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)ccc1F 1839185934 RTWVCCGKWVCXDB-QFIPXVFZSA-N 460.462 0.148 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1)c1ccc(O)cc1 1839195511 WVGLZNLVGGQFLU-RDPSFJRHSA-N 460.527 0.355 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c([N+](=O)[O-])c1 1839233328 AUDPUYDJARPANI-VBKZILBWSA-N 453.517 0.921 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840011222 SANGSFGZSSZZRH-DQMJNTIXSA-N 492.573 0.773 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1840205180 GMAMTEQERIWNTM-JLHGSKIFSA-N 455.552 0.947 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1)c1ccc(O)cc1 1840221224 GQRFMHZZSATSQB-DVECYGJZSA-N 467.526 0.788 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c(C(F)(F)F)n1 1840357029 QJCKHHWMNPBPNG-HXUWFJFHSA-N 493.446 0.724 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840426095 MTRCBOQOVIHRKV-HQGJICSSSA-N 459.547 0.777 30 20 JCED C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)C(F)(F)F 1840818684 PTNSCFDBSWFTFZ-UXHICEINSA-N 471.432 0.707 30 20 JCED Cc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840819620 WKGXUSSBFZMEDM-QHCPKHFHSA-N 451.483 0.806 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)C2)C1 1840844626 GCUOWECZCAWTGA-JOCHJYFZSA-N 498.001 0.878 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCC)NC(C)=O)CCO2 1840854826 OUXANVRSCLMKRM-PGRDOPGGSA-N 453.536 0.257 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840883352 YLOGWXKJQDJNFC-VTJXTGGHSA-N 489.591 0.218 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)CCO2)C1 1840907430 VCLOTKSNIHYBAX-IMWIBFENSA-N 477.558 0.398 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1840912767 PZMANJSRUQZNAV-NLSFWIRASA-N 490.561 0.204 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845107935 PKAOGKVRFCYCNI-DLBZAZTESA-N 465.547 0.927 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1848240449 ORBLTEFLGAYRRG-SQNIBIBYSA-N 456.499 0.807 30 20 JCED N#Cc1c(F)cccc1N1CCN(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CC1 26021481 NNPBWBDIMMUCNR-UHFFFAOYSA-N 459.459 0.601 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(NC(C)=O)c1 502054824 DVDGWCJEFNSDHR-CQSZACIVSA-N 480.550 0.245 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCCOC)CC2)cc1 517332297 GXYFJUBWWWXADU-UHFFFAOYSA-N 480.587 0.823 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 519150122 HGXGYIROIWXUBO-UHFFFAOYSA-N 468.513 0.767 30 20 JCED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 521807718 ZEVVYZFBCTYGHN-KRWDZBQOSA-N 494.643 0.656 30 20 JCED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 523244611 YZCUVFDRRWCZCC-HSZRJFAPSA-N 489.532 0.860 30 20 JCED CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 604227074 MDJLTQHUQSGVLI-UHFFFAOYSA-N 461.526 0.628 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2Br)c1=O 604269821 DSUULNVPJPLWRT-UHFFFAOYSA-N 475.368 0.542 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(NC(=O)COC)CC2)cc1 616473562 OAOSBJHCTAMIEJ-UHFFFAOYSA-N 452.533 0.185 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccs1 727815062 VAPDQLSLEUTJKA-UHFFFAOYSA-N 471.608 0.993 30 20 JCED CCCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2cnn(C)c2)c1=O 837519611 BDIUJIKSHHGUFA-UHFFFAOYSA-N 451.508 0.966 30 20 JCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1265114091 NAELUXVVKHFLMH-IBGZPJMESA-N 457.556 0.896 30 20 JCED COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1300283602 RSNLOPPAAIMBCQ-WOJBJXKFSA-N 465.507 0.857 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)cc1 1321585329 MAFCPAVYRBKCHH-UHFFFAOYSA-N 456.528 0.066 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCSCC2)CCCC1 1360714455 PYOKGJWXHWZUSG-IAGOWNOFSA-N 483.664 0.979 30 20 JCED Cc1cscc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1693334530 KRTXQLRPFZEGPO-JKSUJKDBSA-N 452.562 0.758 30 20 JCED COC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1697754216 OEAHIRCKDZCBLZ-IRXDYDNUSA-N 464.548 0.586 30 20 JCED CCC(CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1743998109 VLOVRQAOMAPYFU-QYZOEREBSA-N 483.639 0.706 30 20 JCED COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C1 1748319385 LDROBQMNYFRGOM-HXUWFJFHSA-N 451.531 0.980 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)C1 1750848465 POWNGSMOFGYJKQ-GBESFXJTSA-N 483.639 0.564 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCOC1 1761497701 KWWYMGYPJYLTOO-WMZOPIPTSA-N 474.591 0.908 30 20 JCED CCc1noc(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1764979087 FVDLPYSBWANENY-QFBILLFUSA-N 467.527 0.960 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)COc2ccccc2C#N)C3)CC1 1778911042 YAPDJNYZXOSWJT-ZEQKJWHPSA-N 497.596 0.615 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1 1779016375 FOZAZOOKADLRKD-DIVQNALZSA-N 476.599 0.934 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)N1CCN(C)CC1 1781097708 OVKBSQJVMXPKGI-YADARESESA-N 455.559 0.403 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)c5cc(C#N)ccc5F)CCO4)C3)CC2)CC1 1781110677 XWLSMRJUKFLUFL-QHCPKHFHSA-N 455.534 0.921 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)C2)C1 1781387110 OEHJSMKGCAARFK-QYXIYQDXSA-N 490.601 0.991 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783243842 JJKXNHHATUEILR-BXTJHSDWSA-N 453.586 0.399 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1785593662 FPBOSANNLCCRGI-DQMJNTIXSA-N 478.590 0.618 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3CS(C)(=O)=O)[C@H]2C1 1785684257 ILWAYIMXPCXXRH-LWCVALJOSA-N 479.599 0.793 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)c(C(F)(F)F)n1 1786675127 ZLNAXJDUDHMCGT-KSYCFECVSA-N 465.432 0.844 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4nc(N5CCOCC5)ccc34)[C@H]2C1 1787176144 NBUZAULCFJQPMJ-IWFBPKFRSA-N 498.584 0.750 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)[C@H]2C1 1792343783 LUTPVNAPYMVUDO-VYJAJWGXSA-N 479.574 0.640 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)c2ccccc2OC)C1 1792814780 VDFSTGZYDNNPJU-GMQQQROESA-N 485.581 0.930 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1793085260 ZTYDQNVFTNIOCT-KYHPRHEASA-N 461.519 0.365 30 20 JCED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C2 1795420511 CTLVWHSPQIHZLP-YVWYUNDQSA-N 468.963 0.902 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)ccc21 1796982990 YLMKCEXSSBHXLK-YUSJBIGXSA-N 485.541 0.609 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)[C@@H](O)C1 1797744526 ZLTMUDZIJKQKIV-ODAPTWBVSA-N 493.605 0.276 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2)c1ccccc1 1797876839 MTBVUBPGBPWPHC-WEMPKCCASA-N 474.521 0.818 30 20 JCED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798579966 ZUQSXSYNOFRYBH-JHDGKUDLSA-N 475.542 0.840 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2)N1CCN(C)CC1 1799182204 IXCMZHXBUJMPCR-GGXPGOJBSA-N 494.518 0.811 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1 1801343827 JZLBZTKYGCOHPD-CLWJZODNSA-N 475.546 0.914 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1802125377 TXPCLLHWVSBXRU-HIRMHNASSA-N 490.517 0.298 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1802139694 BUFHTQOTWWHXAJ-ZDEZURTFSA-N 486.569 0.907 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)Cc3ccccc3C2=O)[C@H]1c1cccnc1 1803215547 MODJQNZWFGTJLL-UQBPGWFLSA-N 488.500 0.791 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)[C@@H](O)N4CCOCC4)[C@H]3c3cccnc3)c2c1 1810351488 LFURFDJALAZZME-YBGOQADZSA-N 489.536 0.800 30 20 JCED CCOC(=O)N[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1819241340 FTXICWRYIKKABT-PIUHCTGBSA-N 466.495 0.995 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1819450667 CALFZNRWRWCNFR-RUEBRPKVSA-N 461.479 0.483 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1824491400 QUYQFLJFVLNCDS-QUCCMNQESA-N 453.605 0.375 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CC(=O)NC)CCN2C(=O)OCc2ccccc2)C1 1828575017 GUYYDASVPDEMMM-CLOONOSVSA-N 484.553 0.613 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CS(C)(=O)=O)CCN2C(=O)OCc2ccccc2)C1 1828909880 WBOZIVCUCCHOSF-KKSFZXQISA-N 483.612 0.801 30 20 JCED Cc1nc[nH]c1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829076719 USBPPIHTZWNGAR-DEOSSOPVSA-N 479.493 0.872 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1829764898 YQTVKFNJBCVVNL-GXOSZSFXSA-N 460.506 0.468 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1829765107 GSLBNNHGTLYMQA-LJBSOROUSA-N 486.554 0.202 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3Br)C2)C1 1829770495 UMCQDYMQISSZOQ-RMUOZIPVSA-N 493.358 0.773 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831189122 VIHABYMYIJCKIN-HJPURHCSSA-N 460.506 0.611 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1831425112 QQLSVLQCHAGLRQ-JTSKRJEESA-N 481.571 0.287 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)CC)C2)C1 1831999851 DNULFKFJHVKZOS-OPAMFIHVSA-N 453.536 0.891 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)CCO2 1832354225 SECFSQCTBKVXNV-QHCPKHFHSA-N 475.929 0.935 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832879045 NDDPLZLPDXYMOU-JPYJTQIMSA-N 462.547 0.164 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCc3ccc(O)nn3)CC2)CC1 1833076596 AEJDYVKRALVJNF-SREVYHEPSA-N 470.574 0.545 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1 1833107284 PAVVWZWGHDGXHG-JOCHJYFZSA-N 471.558 0.737 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1833238775 ZJNGPOUWVWCCJF-NRFANRHFSA-N 474.005 0.856 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833537793 IMDVSXDHSFCMEI-VFNWGFHPSA-N 479.559 0.525 30 20 JCED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)cccc1=O 1833872243 YDBLGSPZTLWBQL-MNQSQUENSA-N 471.535 0.956 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)c1cnc(O)nc1O 1835070307 CAEOAXYDKOAEHI-FSJBWODESA-N 456.503 0.785 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835290363 WFHNAIUBUAMCDE-VZGHSNBUSA-N 461.515 0.705 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)c1ccccc1 1835309020 XBGACOIWGHNWJK-BPYKYCOYSA-N 453.539 0.919 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(N5CCOCC5)c4)C3)C2)CC1 1835345827 FQISZMZCSCPMHW-DEOSSOPVSA-N 454.527 0.897 30 20 JCED C[C@@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1835531108 OFBUWCFYVRQNPF-VBKZILBWSA-N 465.348 0.986 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835674230 FXGYGRICZIFXGY-XMMPIXPASA-N 458.559 0.976 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1835675064 UWEMGDNSHXKPQI-DEOSSOPVSA-N 481.557 0.619 30 20 JCED CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(C)C 1837444238 UMHOPACFZAELDN-JPHKLTHBSA-N 452.552 0.502 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)(C1)C2 1837446895 QIVWWWHUAPJQRV-OUSGTUJFSA-N 462.547 0.258 30 20 JCED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)no1 1837531073 BSTRXNJYMCEVST-RRPYSREYSA-N 450.492 0.836 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838509128 KZEOHBPDCNIYEO-IERDGZPVSA-N 461.544 0.729 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cc2NC1=O 1838585811 QIFHMBXBAYZXCV-GYCJOSAFSA-N 453.495 0.889 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CC2)CC1 1838772721 ICWGTGJNPJFYBY-CLOONOSVSA-N 465.506 0.983 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cc(F)c(F)c(F)c1)NC(C)=O)CCO2 1839043849 WLSANWBOBUDDFC-XMSQKQJNSA-N 467.444 0.241 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1839074038 OZSBHPUNMNJEDJ-QHCPKHFHSA-N 483.562 0.865 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1839175627 UTOALVAQSUJDPY-SFHVURJKSA-N 459.337 0.880 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1 1839184982 JQDWMJOCAZZXCY-DVECYGJZSA-N 499.605 0.965 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1)c1ccc(O)cc1 1839195510 WVGLZNLVGGQFLU-HYBUGGRVSA-N 460.527 0.355 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1839225898 YGFUWEJJNOZCJS-BXKMTCNYSA-N 487.557 0.748 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)nn1C 1839362944 XXWBLPVRQBWOBH-QHCPKHFHSA-N 453.499 0.879 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1839389090 VQFGPUWWWMODNK-URDVPIJWSA-N 461.515 0.804 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401223 SKEFQPUPYMIKLZ-LHSJRXKWSA-N 493.358 0.902 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(=O)Nc5cccnc5)C4)C3)c2c1 1839488424 QONYFPQSVCZDBY-DEOSSOPVSA-N 489.492 0.538 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)CCO2 1839632506 DAXXQWCWXQAZLW-NRFANRHFSA-N 473.463 0.968 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1839655082 DLVHQIXTPAZNCU-JOCHJYFZSA-N 459.572 0.421 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CNC(=O)OC(C)(C)C)ccn3)C2)C1 1839807321 RVOUZYQOSQMBRA-QHCPKHFHSA-N 458.515 0.810 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1)NC(=O)OC(C)(C)C 1839862003 PEBLKFDYUMTBNY-WZONZLPQSA-N 482.578 0.438 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(C#N)cc5)C4)C3)(C1)C2 1840005901 ANAMTEJFNDRGAZ-VHYCJAOWSA-N 453.495 0.972 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cc3C(F)(F)F)C2)C1 1840041194 XNFJOAYHMDIHNT-HXUWFJFHSA-N 472.391 0.931 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1840161157 GGUOLHNSNVCIOH-NOXFTYBFSA-N 463.600 0.662 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840421195 KWUDPGVUPBGGAZ-PNCHPQGNSA-N 492.577 0.765 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840449867 WYPLYHHZKZTNCF-QFIPXVFZSA-N 454.487 0.075 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1840715558 FWVMVRIMUQLDQF-LLBVYWAGSA-N 475.567 0.961 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840772363 PADNKPUGFWQZHS-DJJJIMSYSA-N 460.549 0.618 30 20 JCED Cc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819769 DPJXTPUQQUSFEX-HSZRJFAPSA-N 451.483 0.806 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1840842815 CBKIFQUBYRFTMX-RUZDIDTESA-N 477.521 0.981 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)N2CCN(C)CC2)C1 1845100938 DJMTUHNTOVFDJY-OALUTQOASA-N 461.607 0.742 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1845230685 VKCNZWWGXRSJAF-PTZPRWATSA-N 451.568 0.937 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCCc2ccccc2)cc1 487686193 GKHGIPQXWOBKJC-UHFFFAOYSA-N 458.540 0.907 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(CC)s2)c1=O 514356440 FZQOHYNOYBIDCP-UHFFFAOYSA-N 490.651 0.522 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c(Cl)c1OC 517402081 QPLKIJDQCRGOJH-UHFFFAOYSA-N 492.985 0.069 30 20 JCED Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 603551118 BNDJQUSXSHEPSD-UHFFFAOYSA-N 491.595 0.861 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(=O)N(C)C 604270507 UPGGHERLIMMMJZ-UHFFFAOYSA-N 483.413 0.851 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434398 SFPUZHBIPCHFTB-UHFFFAOYSA-N 468.491 0.901 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3C(F)(F)F)c(=O)n2CC(N)=O)CC1 608911045 GFUHIRWYRFCRPV-UHFFFAOYSA-N 493.511 0.081 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 747079530 GCJZVFOGJFARBN-UHFFFAOYSA-N 465.478 0.519 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCOC 844254018 HPINREMZOPAAPX-UHFFFAOYSA-N 454.487 0.081 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 886422691 XCPPFEOOLDOAQC-MFKMUULPSA-N 478.321 0.032 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NCCc1ccc2c(c1)OCCO2 913173732 NMZOTOZYTOVGEC-HNNXBMFYSA-N 473.507 0.898 30 20 JCED CCn1c(=O)n(CC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c2ccccc21 915383935 XKDUAWHKQPZZEL-UHFFFAOYSA-N 452.471 0.883 30 20 JCED CC(C)C(=O)N1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919600401 HEOXERWGUOXFNU-LJQANCHMSA-N 490.582 0.971 30 20 JCED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1209214448 UOWUQWWHKKWXTF-UHFFFAOYSA-N 456.590 0.708 30 20 JCED Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(=O)c1C#N 1307327597 NRFVJZHZQNSHTG-UHFFFAOYSA-N 458.496 0.333 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1314630587 ZEECMHKOMHUQNY-MOPGFXCFSA-N 477.635 0.863 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1314674478 SDNMXYWIMQPNFJ-UHFFFAOYSA-N 495.631 0.827 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1517631647 SIUXMHWASUCVQN-SFHVURJKSA-N 455.544 0.944 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CCO1 1596641683 IUHMPFNUOBDSEQ-GOSISDBHSA-N 458.544 0.735 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCCCC2)C1 1620171057 RMGCHJVLWDIQFB-XLIONFOSSA-N 469.587 0.929 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1690956360 PKDLSDSNKGHDND-LJQANCHMSA-N 472.571 0.983 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1693953760 ZRPXKPZALPUZSC-OSGQAZFXSA-N 458.560 0.850 30 20 JCED CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1696891124 QWNHNXBFLFGBNR-UHFFFAOYSA-N 452.563 0.799 30 20 JCED CNS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1697021235 RYBDVGZDKLJKFG-SFHVURJKSA-N 469.930 0.853 30 20 JCED COc1ccccc1OCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1712011691 UATFFVSGAYFNFW-KRWDZBQOSA-N 475.575 0.591 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CCO1 1769243470 LWDHIAJSHBXOCD-AWEZNQCLSA-N 451.409 0.446 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1)C(C)(C)S 1778941479 AEIFEQKLEMJXHN-QVKFZJNVSA-N 483.591 0.294 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nc1 1779100260 AGKLNYZSFWCYGS-CRESJJQNSA-N 480.543 0.458 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO3)c1 1780172561 PYECRAREVRPFSW-JPYJTQIMSA-N 474.514 0.853 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN)C3)CC1 1780688092 XRRYJOLFTCTQLM-UZUQRXQVSA-N 463.579 1.000 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C1 1780779503 USYJVFYNFHZWOI-IPRDPGLQSA-N 481.590 0.814 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)C=CC2=O)C3)c1 1781104287 RBKYWTWVBWSQMD-WZONZLPQSA-N 454.458 0.750 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781173647 UPWBGFXSJIUXLX-NFBKMPQASA-N 458.515 0.090 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1781266860 BUXZKLBWCLDPSN-QHCPKHFHSA-N 478.567 0.972 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1781271874 PTPKNVDSTZBAAM-JOCHJYFZSA-N 456.536 0.395 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1781394697 FRVJYPTXOITJBG-OYHNWAKOSA-N 472.502 0.923 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1)[C@H]1SC(=N)NC1=O 1781786919 MWBQOWAHKWXNBO-ORHBMQHOSA-N 455.540 0.999 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195315 YBGHMYHCWDNZQM-UUOWRZLLSA-N 498.540 0.764 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@@]3(CCN(C(=O)[C@@H](C)S)C3)C1)C2 1783895428 RRBNRKUCNIPRRZ-LRAJWGHMSA-N 450.561 0.770 30 20 JCED CC(C)(C)OC(=O)NC1CCC(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1785326072 WXWUMGHQMCKORZ-PVWAMWICSA-N 463.531 0.988 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1785592439 AVXRSMOMRFEPPG-QQTNTEGQSA-N 489.573 0.894 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622454 KNBYYKTVYLSLSL-KOSHJBKYSA-N 493.605 0.962 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC)[C@H]2C1 1786973785 PLIMTCSGMNASJL-OYSTVDSJSA-N 450.580 0.881 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787499397 BEHJVMWGFMNDFQ-JIKIQGJBSA-N 495.565 0.830 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1788472602 XSANGEFAJAXEPQ-MWUWBQKZSA-N 462.478 0.284 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1788639167 HGARPFVJKGJZLV-XSDIEEQYSA-N 457.483 0.646 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)[C@H]2C1 1789709164 PUAOQIRHRCQBIK-WFXMLNOXSA-N 495.532 0.149 30 20 JCED O=C(CCc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1790566220 GMLJKFATGMLCRN-NYFXNJLGSA-N 461.519 0.624 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccnn4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791379951 HNTOFPKDCDYOIK-VJANTYMQSA-N 474.562 0.823 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21)NC(=O)OC(C)(C)C 1792110694 NFIGENSEVBHTJC-OYSTVDSJSA-N 478.590 0.962 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)C=C)C[C@@H]21 1792257299 SRVYAWOHOMWQSJ-VMXHOPILSA-N 476.574 0.573 30 20 JCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncn4nc(N5CCOCC5)ccc24)C3)C1 1792440234 BRGIPDGEGVXTFL-RMFSNUHRSA-N 466.542 0.735 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1793598690 COBLNHNXJXUMEB-CRSSMBPESA-N 493.649 0.681 30 20 JCED CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C1CCCC1 1796295258 NNXCRGOZXXDABQ-VPTLXERWSA-N 463.531 0.844 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1796361836 VXPHXFFIWGHQHA-YYAJDYIMSA-N 465.547 0.834 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)ccc1Br 1797626220 MUBUZRUKOCGWMP-ZSBFGKGUSA-N 488.346 0.857 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1797713011 AVQCBTDACYZCEN-XHYRXIGBSA-N 495.617 0.767 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cc(=O)nc2sccn12 1798414966 KVHFYRGUEZPCIQ-CWPLJXCYSA-N 470.551 0.658 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(I)ccnc1F)C2 1800778337 LSKPXGLPFKAUKP-KEODLESXSA-N 487.225 0.117 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(Cc1ccco1)C(=O)OCC 1801234226 VLBJRFATLWDYPH-UGNRZPKXSA-N 461.515 0.866 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)ccc1F 1804190377 NATMPFUVYWVYLK-HXOBKFHXSA-N 478.484 0.893 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1807027608 ZQGNHWHMYIJTBV-NQIIRXRSSA-N 478.486 0.511 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)CC1 1810287713 YWJDBBQWESFKSY-IOOWSGSWSA-N 483.617 0.723 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Cn2cncn2)[C@@H]1c1cccnc1 1810472758 LLJDJXGBLGMNKE-GRSJDIFZSA-N 451.531 0.874 30 20 JCED C#CC(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)[C@@H]1c1cccnc1 1812534914 RCDQKTVZUMFPEU-PGRDOPGGSA-N 469.542 0.800 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c(O)n1 1812714421 VKCZVOVQPXSDHF-GBXCKJPGSA-N 497.596 0.907 30 20 JCED CC[C@@H](NC)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829003874 NYPQMDGNJARFGT-DVECYGJZSA-N 470.526 0.525 30 20 JCED O=C(C/N=C/c1ccco1)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829133629 SWDASBICXGOZMD-ZHIQAQTNSA-N 484.509 0.461 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628041 KHAMTBFOIWDEKC-QHCPKHFHSA-N 457.531 0.218 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829631181 HQKYGHWLFWSFMA-QPPBQGQZSA-N 472.542 0.098 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC(=O)OC(C)(C)C)C2)C1 1829763032 YZLXRZDXCKCVBX-OPSAWKISSA-N 479.574 0.813 30 20 JCED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)c(=O)[nH]c1C 1830458249 MVLFJBQFYJDMEC-RUZDIDTESA-N 479.537 0.961 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)n1cncn1 1830464810 UBDOIXBXCUPCGQ-JPYJTQIMSA-N 452.515 0.800 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1830646059 OLLNKFVOYKGKLR-QHCPKHFHSA-N 460.531 0.482 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1831391626 DNCMSNYOQAIZLF-UQBPGWFLSA-N 469.538 0.527 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2)C1)C(F)(F)F 1832247018 RHYSXGPEBHCJGJ-STQMWFEESA-N 484.321 0.111 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833837402 AIXRNRGQWJXJTQ-HJPURHCSSA-N 489.529 0.169 30 20 JCED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834326774 LMWJXGQEUYJFHS-UHFFFAOYSA-N 460.604 0.731 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)C)CCO2)NC(=O)OC(C)(C)C 1834946248 PCMLYLMIIDHHQW-MBSDFSHPSA-N 468.595 0.864 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1835312126 LCNNNLOMEOXWLA-RHGYRFJNSA-N 494.589 0.581 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(N5CCOCC5)cn4)C3)C2)CC1 1835340680 FAMBBODUPMQPBY-HSZRJFAPSA-N 455.515 0.292 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835675578 WVBYOESXPYGPDL-DFBJGRDBSA-N 489.617 0.516 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1835677600 LLWXQUDRBVYEAU-MHVKMUOSSA-N 481.553 0.760 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1835750791 NNDNJIXVDWLEGQ-UHFFFAOYSA-N 484.597 0.572 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1835753776 DJLOXXZLSHRNAK-OAQYLSRUSA-N 495.573 0.562 30 20 JCED Cn1nc(C(=O)N2CCC(N3CCC(NC(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)cc1O 1835767139 CZISYHSLVKDIIA-CPOKCXMASA-N 462.551 0.840 30 20 JCED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1835991945 CXPZRALQRSJKSG-DEOSSOPVSA-N 467.526 0.760 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1836856976 DJHWRUBBBNXVJB-OAHLLOKOSA-N 456.503 0.068 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1837403871 UQIGOCMIRYXVHY-WMZHIEFXSA-N 466.575 0.949 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1837443343 GGJSWFRBBCGASF-ZHIQAQTNSA-N 493.605 0.781 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1C 1837525237 LBWQHNZPOFNUAK-QBRPEMMGSA-N 463.535 0.256 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837633799 RTUWEYUSYKNIES-KUSROVSMSA-N 461.515 0.500 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)nc1)CCO2 1838196448 HSJDQSCSIBAJLA-QHCPKHFHSA-N 460.531 0.727 30 20 JCED CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)ccn1 1838719976 JDAIKQZHXHEEAU-AQPAOHHBSA-N 487.557 0.800 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838756881 ZDPFRFKKFKDVDD-QFIPXVFZSA-N 461.567 0.385 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(C#N)cc5)CCO4)C3)(C1)C2 1838952865 JMUXAIKEMQXDAW-VHYCJAOWSA-N 453.495 0.972 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(C#N)cc5)CCO4)C3)CC2)CC1 1838953166 SLSXFDOPCPWUGU-DEOSSOPVSA-N 467.570 0.408 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839167217 NCXKHBRDOPSOBA-MBKAAHDRSA-N 480.562 0.047 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1839185082 MFFIOVTVLDVIKT-NXMSCROESA-N 494.589 0.581 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839215686 GKFIIJHDUVBIQW-FDDCHVKYSA-N 466.498 0.125 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)cc1 1839363722 RIMWBGXTYNNRGI-DEOSSOPVSA-N 465.510 0.951 30 20 JCED CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1839401341 ZICWZPQVLAUUEB-FQEVSTJZSA-N 479.331 0.527 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839683810 NEOTUGBQFYEQQZ-MBSDFSHPSA-N 466.531 0.703 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(I)c(OC)c3)C2)C1 1839806669 BJIUVXVCSNGKAR-SFHVURJKSA-N 485.278 0.398 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(I)c([N+](=O)[O-])c3)C2)C1 1839809288 JWPHVPTZOUPKIM-GOSISDBHSA-N 499.261 0.903 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4N(C(=O)OC(C)(C)C)C3)C2)C1 1839810572 DIVMEKSEAKRNTR-XMODTWTHSA-N 477.558 0.491 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1839890208 NDCMQPZNNYTTPB-KUHUBIRLSA-N 463.478 0.497 30 20 JCED COc1ccc(OC)c(C(=O)CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044041 IYESQPJDPPCPGC-XMMPIXPASA-N 488.493 0.211 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1)C(C)(C)S 1840110962 OEILSWRSGDUFGZ-SZNDQCEHSA-N 498.606 0.476 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCn5cncn5)CCO4)C3)c2c1 1840359699 NMCNZTCAPLGXOA-QFIPXVFZSA-N 464.486 0.186 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc1F 1840772519 CTOIYWGBKWFRTD-HXUWFJFHSA-N 453.492 0.603 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn1 1840813463 ARKQKSUNGGQCFS-JOCHJYFZSA-N 476.555 0.390 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)COC)C2)C1 1840906425 BJXCIADORAWWFS-IEGUWTFLSA-N 467.563 0.642 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OCC=C)C2)C1 1840906862 KRNUOKZBUCJLQN-JXQFQVJHSA-N 479.574 0.951 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)C(C)C)C2)C1 1840907483 WVVUHOXOWRUPGH-IXFSTUDKSA-N 467.563 0.376 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1840959401 MHWOYIJZCAITLC-DVECYGJZSA-N 479.574 0.882 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1)C(C)(C)S 1842947665 ORCRXOAVIBEXLI-UKRRQHHQSA-N 471.624 0.384 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)[C@@H](O)C1 1844301894 OWOBTILXYKYEAA-ZJFAXZQBSA-N 480.562 0.947 30 20 JCED CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 18039009 SJNKWHSZXBGCRX-UHFFFAOYSA-N 467.507 0.728 30 20 JCED C[C@@]1(c2cccs2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 105413183 BCPHYSLYLJEIPS-NRFANRHFSA-N 487.563 0.920 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CCN(C)CC3)c2=O)o1 517983301 QMONLIJALYXEKA-UHFFFAOYSA-N 485.610 0.029 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(C(N)=O)cc1 523258328 GHWPNAJZDAFMON-UHFFFAOYSA-N 453.549 0.792 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 549147367 GIFWGEHNHMZJQZ-UHFFFAOYSA-N 480.546 0.945 30 20 JCED CN(C)C(=O)CN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 603580761 PPGUNEOCLOFLQF-UHFFFAOYSA-N 455.519 0.161 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 603985755 CRBSOZSVROCMOI-UHFFFAOYSA-N 459.553 0.733 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)ccc1SC 608910816 PCEIQMNBFNVYRV-UHFFFAOYSA-N 458.565 0.251 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c1=O 610487116 DYIUKXBQSSCNQG-SJLPKXTDSA-N 470.595 0.988 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCN(CC)CC3)sc(=Cc3ccnn3C)c2=O)c1 726581419 UWCQSDXUCHGUAW-UHFFFAOYSA-N 472.574 0.281 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c1=O 729672831 KHWKVQRPWINWJG-UHFFFAOYSA-N 493.563 0.989 30 20 JCED COCCN1C(=O)/C(=C(\Nc2c(C#N)cnn2-c2ccccc2)[C@@H](F)C(=O)OC)C(=O)NC1=S 814392484 ADFALZZMYYPSKB-VZHUHSAUSA-N 486.485 0.811 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1 853705332 KIVSMRCFWPIKON-UHFFFAOYSA-N 484.534 0.932 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(S(N)(=O)=O)ccc3F)CC2)o1 915375910 DKJIDCDPVBAVRB-UHFFFAOYSA-N 451.436 0.147 30 20 JCED CCS(=O)(=O)N[C@H](CCSC)C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 915379293 REGUFXIILQSGNV-CQSZACIVSA-N 473.577 0.108 30 20 JCED Cn1cc(/C=C/C(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(=O)n(C)c1=O 917504082 CVXMPDXVUUALAE-GFOMBABLSA-N 461.482 0.391 30 20 JCED N#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 1460656309 JMRCPLNOJBTBFC-UHFFFAOYSA-N 459.616 0.930 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1517630465 WKSVNMFAFNIOTG-QGZVFWFLSA-N 456.525 0.340 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)CC2)c1C#N 1538693232 XOPCSTANYNSUFV-UHFFFAOYSA-N 457.560 0.745 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCCC2)CCOCC1 1541116713 UFKUQTDDDDVMBB-OALUTQOASA-N 495.650 0.852 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1552740744 QMSYDNVZGQPXOF-UHFFFAOYSA-N 471.587 0.604 30 20 JCED CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1554321159 WOWHTMCJIOKROE-UHFFFAOYSA-N 467.573 0.787 30 20 JCED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CC(O)(CC#N)C1 1653390746 NCGNNLLVXLLNCW-UHFFFAOYSA-N 452.533 0.394 30 20 JCED C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1691013689 XDRRZYWVCYNQOE-GOSISDBHSA-N 494.600 0.996 30 20 JCED COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1=O 1712473127 PRMZQWCJTOQNRH-QGZVFWFLSA-N 453.503 0.160 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1729342882 SUSYUGFYBHVLJU-MGPUTAFESA-N 461.523 0.970 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 1741067533 SXUFAGFTHQRWMN-OAQYLSRUSA-N 494.600 0.985 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(N2CCOCC2)CCSC1 1751206204 QVVCKXPNJSNANX-GJYPPUQNSA-N 471.653 0.835 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1 1770342645 FAMHLKQXXQUEHC-MJGOQNOKSA-N 460.560 0.910 30 20 JCED CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1771351991 GGMSVHPRCMETNE-OAQYLSRUSA-N 461.544 0.894 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778262264 XOBJOUQIIVSODX-CJFMBICVSA-N 493.649 0.923 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779016106 MUUNZDVGWKRTLH-CSONQGJWSA-N 472.546 0.294 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019639 SKJWYHXBTAMDIK-JKJLQIMHSA-N 481.594 0.829 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](COC)NC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1779318796 NWBURAJGHUOLIS-AXHZCLLHSA-N 494.589 0.533 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)C1 1779947925 UMBDNUWLHDSBHM-HSZRJFAPSA-N 483.550 0.521 30 20 JCED CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1780793931 XTMDFEXLPFITDN-QRTJQILJSA-N 450.536 0.650 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2)[C@H]1CCCS1(=O)=O 1781654448 HDYRXYNVDVVPAH-WYNQEVMMSA-N 451.545 0.790 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(C)nc4ncccn34)C[C@@H]21 1783530829 KJVSXATYJIHQPE-SKNOTLCPSA-N 452.515 0.489 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783566915 ARKCIXYMEQAJQO-GAZXMLTASA-N 491.541 0.320 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784013077 TZIQJKUCJVVKRD-DPSWKAHMSA-N 481.590 0.761 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1)C(=O)O 1785195997 KTGFMOVUWXELGM-FDDCHVKYSA-N 458.515 0.852 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785329037 ZBPQZYRCUIVDQP-JBFGMIDGSA-N 458.515 0.011 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787493665 ASSCCMFPNFLTLV-RKBVZRRDSA-N 461.544 0.481 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(Cc4ccccc4)CCO3)[C@H]2C1 1788201139 WTNOTXDYPRHWIF-RWASWJRHSA-N 496.608 0.726 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCOCCOC)C[C@@H]21 1788576264 NHDVHGXYJWABKO-TUFLPTIASA-N 486.606 0.235 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]cnc3-c3cccnc3)[C@H]2C1 1789193475 CVNMOSDAPVBYMN-CXLTZZKYSA-N 464.526 0.923 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789707580 BWMWFQFCAPZWAN-FZCLSBEQSA-N 477.587 0.672 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccc(O)nn4)C[C@@H]32)ccc1F 1789907735 SOXCGKJAZFGFAO-IEZWGBDMSA-N 469.473 0.794 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1)c1ccc(O)cc1 1790911650 KIDCNCPUDIXXEE-WMIMKTLMSA-N 487.597 0.156 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CCC4)[C@H]3C2)C1 1792141507 WEIUDWCDHKPQJV-FKSLSLAPSA-N 476.574 0.888 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1792146046 CAGTWGHZOSVWTO-MPGHIAIKSA-N 453.455 0.432 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21 1792268013 RGILVJHCXQJRHS-YZZQMHEZSA-N 494.589 0.498 30 20 JCED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2ccc(C#N)cc2)c(=O)nc1O 1792426479 MQMAOOYHMQZABG-HATOLVCRSA-N 465.510 0.351 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nn1 1794562998 DPBYYRLHLMRRAH-KPEUIFRASA-N 461.519 0.855 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796354275 OHJAVZQBMGNRHS-UMPJEAMMSA-N 477.518 0.560 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(I)cnn1C 1796746431 SWTIDVGBMVRNDH-XPCVCDNBSA-N 486.310 0.266 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC)c1ccc(O)cc1 1797589960 XUCGFJCLUHSLRK-YAZLOMEPSA-N 473.526 0.543 30 20 JCED O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)NCc1ccco1 1797892678 KCIRHOSATFQAKC-JKAKYPRTSA-N 457.531 0.513 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cn3c(nc2=O)SCC3)c1 1799074982 QUYFCRJFCLDJOS-OPVJXMOQSA-N 465.535 0.667 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C 1799391512 MSELYIGOVPJCFM-UYTYNIKBSA-N 470.567 0.917 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C2 1799396412 SSEIPGVOQQCVBL-HUUJSLGLSA-N 495.621 0.930 30 20 JCED Cn1ncc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)cc(Br)cc21 1800778018 ROUZZCGLOFCHPL-SLAYPKMVSA-N 475.299 0.627 30 20 JCED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1800839114 BPJHYIXCMKCIKO-INAUSIBBSA-N 471.551 0.175 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800907653 FMOBCVNGTIBGAK-ONMISFSYSA-N 498.646 0.868 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2 1802025321 RAVVPZNVGKYESU-AXVVYFOYSA-N 465.547 0.836 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)nc3cccnn23)[C@H]1c1cccnc1 1803550779 SADVWGPEJUIAEC-CDMIOBSGSA-N 460.494 0.842 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1806028829 DRHPZZPPWGEGDG-GBESFXJTSA-N 492.642 0.989 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810279350 UOAWNMMOUNJPFK-WRWMUQEYSA-N 466.542 0.874 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3CCOCC3)cn2)[C@@H]1c1cccnc1 1812874931 PMKIFLZEYYCCGH-FDDCHVKYSA-N 463.494 0.721 30 20 JCED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[nH]n2)C1 1814391967 DAIXUTYWEOAAQU-MRXNPFEDSA-N 480.529 0.815 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)CC2 1814984071 JYUVXGAJNVPPDX-SWLSCSKDSA-N 453.590 0.914 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819900166 FVPRPKFXQMSENG-XIJHUGNBSA-N 487.604 0.912 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccncc1=O)CC2 1819907527 PRHSBQBHQVDFIN-QZAUGJLXSA-N 460.516 0.841 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1823746176 WJPYFVRBUDOQMX-OSZLDNFMSA-N 468.620 0.792 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1828581164 ZUNGLINIWHLXSP-UTAZYMRLSA-N 496.564 0.755 30 20 JCED CN(C)C(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3(C#N)CC3)C2)C1 1828933789 BALZKEMLDKXHOU-XMMPIXPASA-N 467.526 0.830 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1829267471 QEUHQGLFUURXIM-CYFREDJKSA-N 452.511 0.598 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)cnc3OC)CCO2)C1 1829582803 HFEOHBNJEAIZBN-BTYIYWSLSA-N 451.907 0.852 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NNc3ccccc3)C2)C1 1829762808 SFIREIFTASNYNZ-KXSQZTRYSA-N 471.558 0.306 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1829773708 QYCDBKRXJIQCAZ-WEHRJKGCSA-N 468.510 0.252 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2 1830302381 DNMCYTKFGWRTHR-GAJHUEQPSA-N 483.562 0.865 30 20 JCED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)cc1O 1830465403 GVRBDGOLTJAGPD-JOCHJYFZSA-N 458.902 0.901 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885798 LFQZTTDPZZPFKA-AUSJPIAWSA-N 461.581 0.037 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831213332 PKTBVEQQBYNADW-QHCPKHFHSA-N 460.552 0.502 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1831316312 AQYZJMYRDHNUHC-HTAPYJJXSA-N 498.001 0.476 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831393624 ZCRXQWZHTZRKDN-NTKDMRAZSA-N 472.542 0.027 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1831425454 ACWYREPEEVYFRJ-KOSHJBKYSA-N 470.526 0.664 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)CCO2 1832005096 CJVKBCGDSNGBFX-KGYLXKDPSA-N 450.532 0.461 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1832453396 YVIDPQBQJUKPMF-VGOFRKELSA-N 487.619 0.902 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc3ccnn31)CCO2 1833027422 DCHWAZNNXNGWNB-JPYJTQIMSA-N 473.530 0.265 30 20 JCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(S(C)(=O)=O)cn3)CC2)CC1 1833999985 PGPJBOOFIFZTAF-AWEZNQCLSA-N 454.618 0.989 30 20 JCED COc1ccc(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)nn1 1834716719 QSHPNYXRBINDPJ-UHFFFAOYSA-N 457.579 0.952 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835349599 LZZNNLGAWHIJAX-MBSDFSHPSA-N 480.583 0.680 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CN)CCO2)NC(=O)OC(C)(C)C 1835536066 KHWDPBXBILJFFY-PMAPCBKXSA-N 468.595 0.897 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)CC2)CC1 1835670158 WDDDDAHUPXPZAJ-RQFBSITCSA-N 457.619 0.757 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cccnc1)CCO2 1835691686 PKCTVSAKGBWPQM-FDDCHVKYSA-N 460.531 0.848 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)N4CCOCC4)CC3)CC2)c1 1836124493 LDMMZTJHHNDAGB-RUZDIDTESA-N 485.585 0.403 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836255657 MDEUMZNOESEOCY-JOCHJYFZSA-N 478.571 0.677 30 20 JCED COc1ccc(-c2ncccc2C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1836363377 YRLHHDBKMQGMMV-RUZDIDTESA-N 479.489 0.915 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1837403068 HMAUPQZMOKCDGR-PXDATVDWSA-N 472.586 0.413 30 20 JCED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)o1 1837489121 ZQRJMHPZWLCHER-HSZRJFAPSA-N 460.531 0.509 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493546 JXQGLHMIJUKABC-VWLOTQADSA-N 472.586 0.734 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837689391 WPOUOAUJUXFZPX-FDDCHVKYSA-N 461.515 0.375 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838101765 DKNZWQARAKYVLU-IVZQSRNASA-N 480.518 0.920 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838165532 HCUCKTYAVHEEEJ-HYBPMGLISA-N 468.457 0.959 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1838399885 GSODLQULZKIOMP-NRFANRHFSA-N 474.514 0.993 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F)CCO2 1839219346 DSDNMFYSKQOFBD-HRAATJIYSA-N 471.501 0.968 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OCC3CC3)cc1F)CCO2 1839243162 CKKOGSLFHWOXAJ-QHCPKHFHSA-N 460.458 0.773 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)CC1 1839421169 ZFSUFTDUEZRESH-HSZRJFAPSA-N 459.522 0.015 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)cc(C(F)(F)F)c1 1839442754 DPCXINYCBWBWKH-JOCHJYFZSA-N 496.486 0.979 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)c5n[nH]c6ccc(C#N)cc56)CCO4)C3)(C1)C2 1839488953 KEPIFWUNJJNBGD-DDJHWDJXSA-N 493.520 0.848 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)cc(OC)c4)C3)C2)CC1 1839761600 RGEHIEJGWGBVPD-HSZRJFAPSA-N 471.510 0.980 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840149755 ZIISTYGJMXIYNR-GGUMNFRJSA-N 493.557 0.614 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1)c1ccc(O)cc1 1840221039 QWOVGEVZFPWEGJ-UUOWRZLLSA-N 468.510 0.222 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1)c1ccc(O)cc1 1840221469 TWTWWWQWNITLPF-IBVKSMDESA-N 496.564 0.954 30 20 JCED O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840880752 JEQWUZXSEXMRKT-AZSSXPMASA-N 485.493 0.985 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1840907271 SQXSHOHYCWAJHF-GAJHUEQPSA-N 491.545 0.294 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1840913968 RRIUABKBDNGJLS-SLXODSOVSA-N 494.589 0.437 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCN2C(=O)C=CC2=O)C1 1841756613 KJOCHPLHFBTNGW-MRXNPFEDSA-N 460.531 0.974 30 20 JCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)C[C@H]3NC(=O)NC3=O)C2)c(C(F)(F)F)n1 1841959601 ASKJTBHXAUISPX-GFCCVEGCSA-N 450.377 0.387 30 20 JCED O=C1CN(c2cccc(C(=O)N3CCCC34CN(C(=O)/C=N/N3CCCCC3)C4)n2)CCCN1 1842305037 DVGLDIAEUXNIDJ-CVKSISIWSA-N 467.574 0.697 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1845131917 GXLHJLHHLYEGDI-IAGOWNOFSA-N 463.579 0.479 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)cc(Br)c1O 436798325 SQAQQYKXLDFCFK-UHFFFAOYSA-N 452.330 0.951 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCCOC)cc2)c1=O 501257815 LLIZZKCNTPZNRT-UHFFFAOYSA-N 455.536 0.483 30 20 JCED Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 515713702 PTPIIYKWCFSUHJ-UHFFFAOYSA-N 483.593 0.965 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 523743291 OJXHLDPMZHWQQG-UHFFFAOYSA-N 484.557 0.941 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1-c1ccc(OC)nc1 524234972 CSVRYULSQUEKJI-UHFFFAOYSA-N 496.545 0.585 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CC(N)=O 550107918 SJTRBQWEPSFPCW-UHFFFAOYSA-N 456.568 0.564 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CC(N)=O 589158878 FPZUULCQVSVELB-GFCCVEGCSA-N 459.524 0.539 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 590897446 UOAMUHCYSRPPPC-UHFFFAOYSA-N 455.492 0.195 30 20 JCED CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c1 604472877 UFXQOEQCDVUJPK-UHFFFAOYSA-N 454.552 0.567 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@@H](O)CN3C(=O)c3ccc(F)cc3)CC2)o1 725953787 ULWSKDQLUKJQJL-MJGOQNOKSA-N 485.472 0.461 30 20 JCED C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ncnc2[nH]cnc12 811520807 VLBATEXFIVKAEY-NSHDSACASA-N 457.472 0.742 30 20 JCED O=c1nc(O)c(-c2noc(CCCCC/N=C3/NS(=O)(=O)c4ccccc43)n2)cn1CCO 904863558 XULIMKNFSXOUHZ-UHFFFAOYSA-N 474.499 0.443 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)c1 918249431 YHJGAEILTAQKKY-ULJHMMPZSA-N 461.500 0.464 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)C2CC2)c1 918278829 GCURBHZDFFHTOS-XIEYBQDHSA-N 463.560 0.861 30 20 JCED CCOC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918288176 HBYFMSDRNRRHGU-XLNRJJMWSA-N 465.532 0.739 30 20 JCED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 919035636 QGPUHMIPBQFBGU-MRXNPFEDSA-N 466.560 0.938 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCC[C@H](O)C1 1288863410 OSPVNCHMVQOVOK-ONIAQPFYSA-N 451.597 0.616 30 20 JCED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)NCCNS(C)(=O)=O)[n+]2cccc(O)c2)C=C1 1321452669 VUZHIQFCDMGFPI-UHFFFAOYSA-O 451.550 0.800 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCOCC1(C)C 1360707508 FPNDMWXVBZPYHQ-WMZOPIPTSA-N 480.639 0.176 30 20 JCED CCCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1501183392 VSSYNDDHYHKOHV-INIZCTEOSA-N 474.591 0.613 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCS(=O)(=O)N(C)C 1512371913 WFTKWENLWDWEON-OAHLLOKOSA-N 459.580 0.499 30 20 JCED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1552891943 RUVLOTCZMQLTNO-GOSISDBHSA-N 475.575 0.141 30 20 JCED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cn1 1554929671 FOBWTQFRWUKCQS-WMLDXEAASA-N 460.564 0.517 30 20 JCED CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1728766269 PERNCDAOYFDDHS-VXKWHMMOSA-N 475.571 0.988 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777785566 YZDUTXLBPGMFKP-JOCHJYFZSA-N 456.503 0.694 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CS(C)(=O)=O)nc2)C1 1777800386 NWRJNGNLVPNALP-HCLVMJGWSA-N 477.583 0.792 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)CC2)CC1 1779104728 GBIWCDHJITXTRQ-RQOJDHGWSA-N 463.579 0.125 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)c(C#N)c1 1782676706 MTGUHICIYLEIOF-QHCPKHFHSA-N 467.482 0.514 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)NC(=O)OC(C)(C)C 1782751296 WQCLCOGYFATELR-QMHKHESXSA-N 496.561 0.219 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cnc4c(O)nc(NC(=O)C(C)C)nc43)C2)C1 1782886337 QBUMHQYFPIUKTR-QHCPKHFHSA-N 483.529 0.370 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783506598 XRPRIVJXYAVURY-IRBZQWRBSA-N 461.515 0.551 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1)C(C)(C)S 1783778732 XRYLTQGGCXDOJY-IERDGZPVSA-N 482.607 0.710 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1)c1ccc(O)cc1 1784017836 UJGBBKJAJMIYGW-YJLYGGOZSA-N 468.510 0.317 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089773 HIKDVMCRBWJOJR-YADARESESA-N 478.590 0.714 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1 1784407942 SXBLHLGBHWKOBH-QAETUUGQSA-N 452.552 0.572 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)NC(=O)OC(C)(C)C 1785303637 BYRIKWHMJGYAAT-AOMKIAJQSA-N 452.552 0.764 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)CC1 1785347231 OXJUWGZRDYRYNV-QHCPKHFHSA-N 461.563 0.673 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1785572533 OHACXEDVTYXTHS-HOYKHHGWSA-N 478.590 0.895 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)C1 1788094468 KJAUWYKVXRKTKN-OYSTVDSJSA-N 476.574 0.888 30 20 JCED C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C[C@@H]21 1789883355 OFNRNZVIMBPZNC-QUSNUVHPSA-N 486.635 0.702 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327600 XJKRRFSKKBMPOK-GGLFYADGSA-N 470.486 0.092 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21)c1ccc(O)cc1 1791331040 CHMAWUHJYDUEQG-LGGPRVQUSA-N 467.570 0.709 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791351369 ORBJIMLCPAWEAM-BOGGJWPESA-N 490.601 0.962 30 20 JCED CCOC(=O)N(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)Cc1ccco1 1791502640 ITHHQVVNBMZESA-SZMVWBNQSA-N 461.471 0.306 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)C2 1792484328 DBRREEJNRGGBQH-HSSGRSBVSA-N 464.563 0.595 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1C(F)(F)F)C2 1792490307 VDKRZCPZAVHZBY-LXBXGBMDSA-N 455.437 0.501 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1793360938 ASXWESNPFIEPKM-DCXXXQMHSA-N 494.589 0.246 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)C=C)C2 1793597682 SIGZNBNPSITUEV-NRUGXNMXSA-N 464.563 0.736 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CNCP(=O)(O)O)N(C(=O)OC(C)(C)C)C1 1795966042 QZMJTTRKCOVMHJ-YVSFHVDLSA-N 486.506 0.915 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C#CC1CC1)C3)C2 1800325950 XEZVLLMRGRGMOH-DCXXXQMHSA-N 454.527 0.625 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cncnc1)C2 1802126243 DXKQGLPFBUICSY-JTJHWIPRSA-N 471.558 0.915 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1802477624 QPQVMTOZOGCZGE-CTUFNNTOSA-N 467.486 0.751 30 20 JCED N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1807116616 WUQMUPVOJSKTCV-ZGZDXBCCSA-N 457.535 0.456 30 20 JCED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)[nH]n1 1822200946 QZISNIAXRNHJHW-OAHLLOKOSA-N 465.426 0.796 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330665 NRDSBHXWRQECOX-NBGIEHNGSA-N 498.536 0.441 30 20 JCED Nc1ncc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)s1 1829332424 KXKZMCNQFFNFSS-QHCPKHFHSA-N 497.533 0.879 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)COCCO)C2)C1 1829345705 LLCGKZDIVIBBQA-VGOFRKELSA-N 465.572 0.766 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)O2)C1 1829848097 YUFBKKBYAJSJOY-GAJHUEQPSA-N 478.546 0.525 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)C(=O)O 1830458370 BAPUWTCNSABDGC-AUSIDOKSSA-N 458.515 0.010 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c(CC)c3Br)C2)C1 1831393513 MWMRXLKUHJINLA-YCRPNKLZSA-N 497.390 0.853 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1831396731 QIKWKBZDJFCLNG-BTYIYWSLSA-N 461.906 0.491 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1831404502 PSDSEINYUAUTOI-KOSHJBKYSA-N 474.510 0.347 30 20 JCED Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)nc2s1 1832109566 OUXAAMIGNPJOOV-OAQYLSRUSA-N 469.527 0.612 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)CCO2)C1 1832427556 PJLOIUDZCPFICP-ZHRRBRCNSA-N 463.462 0.771 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)c1cccnc1 1832725753 CQUKBKFCUQYOGJ-VWLOTQADSA-N 462.506 0.320 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CC(=O)N(Cc5cccs5)C4)CCO3)C2)CC1 1832750403 VZVQRZDHGHMAMB-UZUQRXQVSA-N 472.567 0.857 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1833864373 CXGXZRIFFSGGTI-QHCPKHFHSA-N 453.499 0.879 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1833865310 RQONESYKJMRKHA-QHCPKHFHSA-N 460.531 0.197 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1835642467 OGHWUZSXEGLKTE-QRWLVFNGSA-N 494.511 0.803 30 20 JCED CC(C)N[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)C 1835675036 UEMJENIVZRTKMT-XXBNENTESA-N 451.612 0.747 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1835682613 MVVBDAWRWGJUKQ-DEOSSOPVSA-N 482.541 0.687 30 20 JCED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1835743010 FVLQAMDUQAGJFO-UHFFFAOYSA-N 486.642 0.993 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1835752379 FNVZLJBRGNOWJX-UHFFFAOYSA-N 486.535 0.935 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2csc(N)n2)CCO3)c1 1835794300 ZDCDGCVBOAFKQO-OAQYLSRUSA-N 457.512 0.989 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1835843616 UNGIMFXOJQYWKS-QHCPKHFHSA-N 454.571 0.761 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@@H](C)O1)CCO2 1836612125 WPKJIASPMAJESS-ZVVFGRKBSA-N 479.574 0.927 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837294943 RQCUUISGXWKTQV-ZAXYSONSSA-N 484.509 0.036 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1837443836 RYSMTAWNZXXUDN-FXXTWSIJSA-N 497.596 0.961 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837489899 XXYPCSQOWRQJJE-XMMPIXPASA-N 467.526 0.498 30 20 JCED O=C1Cc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)ccc2N1 1837529196 QBDUZWBGAYZUIL-INXSEKFSSA-N 486.525 0.780 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1837567294 CBFACDLAKDAUDZ-VGWWHSQDSA-N 455.515 0.683 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccccc1=O 1837686844 LWOSZIWCTIPWSV-NBGIEHNGSA-N 471.554 0.564 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4C)C3)C2)c1 1838584823 IITHNKGRVSHKPL-QHCPKHFHSA-N 453.499 0.842 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c([N+](=O)[O-])cc1O 1838738184 VSXVSPYNWSMXRV-JOCHJYFZSA-N 485.453 0.893 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CC34CCCN3CCC4)CCO2)C1 1839118893 VUWOMPBYOHHEHD-XMMPIXPASA-N 463.575 0.971 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1 1839130834 WRIRHEOPVQJLHL-JPYJTQIMSA-N 465.547 0.729 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1839175194 UHELIDZRRNVWOC-FQEVSTJZSA-N 452.895 0.709 30 20 JCED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)cn1 1839186155 CVTTXSVNGVJJQP-HSZRJFAPSA-N 469.473 0.809 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1839214662 ANKKLKOBPZVVSP-JTSKRJEESA-N 460.918 0.902 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)c2c1 1839488390 OXSHKTULQKHPEO-DXPRYJPLSA-N 479.541 0.976 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccc(Br)c3n1)CCO2 1839558839 ADNDKUFGBKKWIG-HXUWFJFHSA-N 491.298 0.255 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839573654 TUIGJDZJGNFMMU-KOSHJBKYSA-N 457.527 0.824 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840010485 DUZNSHGMXMNZTG-QGLBADPUSA-N 499.630 0.643 30 20 JCED CC[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840043746 RRAZJDUOXLRZKS-AOMKIAJQSA-N 467.519 0.224 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1840166445 JJVUOXMNSHXBAM-SANMLTNESA-N 481.549 0.862 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840218459 HJOANQRCMZYSBI-DQMJNTIXSA-N 497.589 0.406 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1)c1ccc(O)cc1 1840219919 NBOMHUQTEYNLEN-CYFREDJKSA-N 467.526 0.788 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813159 IKTQQWHZQLUDSQ-JOCHJYFZSA-N 476.555 0.390 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1840819818 HGROKDBIRZGZIR-VWLOTQADSA-N 495.536 0.946 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820712 GKRABTNLDIMPPZ-VWLOTQADSA-N 481.553 0.987 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1840842355 CJFOKVAACNMSJU-XLNZFTOWSA-N 479.574 0.474 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840844355 QNXDPFCYRPIJDA-DEOSSOPVSA-N 490.557 0.622 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840908791 HBRNERGHSNGPMP-AOMKIAJQSA-N 497.618 0.376 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)CC(N)=O)C2 1844215298 RQURXLZFDJNTPG-HZPDHXFCSA-N 495.577 0.507 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1845199796 VZZUWLAFDSIBTP-HOTGVXAUSA-N 451.568 0.642 30 20 JCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)Cn3cc(C)c(O)nc3=O)C2)c(C#N)c1 1846969797 FFRGNOIWZZEYQF-UHFFFAOYSA-N 451.483 0.584 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 25450017 DMCOGZIYXXOXBJ-UHFFFAOYSA-N 487.563 0.897 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 26069827 QBPSUWFBATXMJX-UHFFFAOYSA-N 492.535 0.653 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)C1=O 504701691 BDDVBYAMACPIHG-UHFFFAOYSA-N 476.555 0.730 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OCC)c1=O 523088954 XRONWFVTDMNPRF-UHFFFAOYSA-N 457.552 0.707 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc3ccccc23)c1=O 589774716 SDEQIZPGDKHOEH-UHFFFAOYSA-N 454.577 0.613 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCNS(C)(=O)=O 608912639 RKKHGYKZCUCEGY-CYBMUJFWSA-N 478.552 0.485 30 20 JCED C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)c1 916674276 XGXPYELSQLNORK-SFHVURJKSA-N 490.563 0.894 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)COc2ccccc2)c1 918271392 XHUWQGGHJFBPHY-OTMWDORNSA-N 474.539 0.994 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 920399965 XMTGYACGOJKRTD-UHFFFAOYSA-N 473.461 0.983 30 20 JCED CNC(=O)c1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c1 1299051602 PJWFBCWTMCGNMH-APWZRJJASA-N 489.602 0.952 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCN1S(C)(=O)=O 1316497125 RBXSUHCUJQHYES-DOTOQJQBSA-N 478.600 0.722 30 20 JCED N#C[C@H](C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1nnc(N2CCOCC2)n1-c1ccccc1 1344538970 CRBZIRCYEFXGBD-NZSAHSFTSA-N 498.565 0.316 30 20 JCED CSC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCN(C)CC1 1505194131 YLFLMFWQAROSFX-HOTGVXAUSA-N 454.622 0.736 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1COCCO1 1510222099 VUPYURIMWYGKNO-AEFFLSMTSA-N 475.575 0.502 30 20 JCED CS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1519524640 JERFWZSGLIFXDQ-QZTJIDSGSA-N 479.584 0.674 30 20 JCED C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1541123426 MQKSDSQPXBNBQR-KBPBESRZSA-N 454.578 0.624 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1552740750 QNSUJUOFGSNWHD-UHFFFAOYSA-N 450.547 0.553 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1693880626 QBWQTKFFCRNQQT-DKZVUGQWSA-N 490.586 0.659 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1698310352 JQXHWPJHFBMXJB-QZTJIDSGSA-N 457.560 0.942 30 20 JCED CCN(CCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)S(C)(=O)=O 1710142321 GLDSTKFZGNPCMN-AEFFLSMTSA-N 451.597 0.630 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCC(=O)N(C)C 1723952658 MWXUKFJRLVVDID-KRWDZBQOSA-N 488.618 0.560 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCOC1 1741938408 IONSSWVLFLLDPQ-FUHWJXTLSA-N 474.591 0.908 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c1 1780175552 PPUWZARIIILOMI-DEOSSOPVSA-N 474.477 0.727 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780203653 MQJQSWZUTBVNPB-QHCPKHFHSA-N 485.497 0.631 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCS(=O)(=O)CC2)C3)c1 1780344477 HHRRZFVCPPWSHX-NFBKMPQASA-N 474.583 0.416 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1781148648 HMOGSHTZQFWMFF-DFBJGRDBSA-N 490.601 0.991 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)ccc1F 1781298549 KSUMRKSNOSWLNH-JOCHJYFZSA-N 465.445 0.115 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781791520 GFNGTRTZCAXVMD-QPPBQGQZSA-N 464.526 0.667 30 20 JCED C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009491 MXZPVZGHBQIWPY-XCGNWRKASA-N 451.520 0.749 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3OC)[C@H]2C1 1783770280 WBUJYQVYNQDWNN-BFBMHGIHSA-N 457.527 0.912 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)C1 1784383144 RPRRXXUQPHYOJX-AFDCHOCNSA-N 475.586 0.997 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1785576692 LUTJJKLANKXMAB-UZUQRXQVSA-N 473.530 0.602 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)n4cnnn4)C[C@@H]32)c(O)n1 1785774691 XPRVVAGOSAWBBV-PDWMJMLSSA-N 455.519 0.747 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCN(C(C)=O)CC4)[C@H]3C2)c1 1788248310 HGWOCNIIJLTEKL-VJBMBRPKSA-N 483.569 0.324 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)C(=O)N4)[C@H]2C1 1788259031 ZDEPOGGEVXMABR-JBIZMDSKSA-N 495.532 0.830 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5ccc(C#N)cc45)[C@H]3C2)CC1 1790327014 ILSKDXSTFRMVIZ-VCOUNFBDSA-N 493.568 0.192 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1792452328 QBWBVBWAFHWEPE-ROMHJBHXSA-N 495.617 0.767 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793162311 CWUMDLPIDPDPOV-DFGXFYAUSA-N 466.535 0.498 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1794250309 UXSQLVRCQKFVDG-XMTFNYHQSA-N 468.558 0.840 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795083780 KUDZYSCXGRYOGH-XSDDWTICSA-N 462.547 0.906 30 20 JCED CCOC(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)CC1 1795602430 NFMNOBMMCSIXKS-REPLKXPHSA-N 463.579 0.726 30 20 JCED Nc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)sc2nccnc12 1795705729 HOZFDWMCRXPYGW-OEVAYPNQSA-N 457.560 0.948 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)c1ccccc1 1797873063 UUGLWBFVKMSLFY-NYUBLWNDSA-N 475.509 0.213 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(C#N)c2)[C@@H](O)C1 1798863490 RQPKQFXAWDUXSN-SSTJLMRISA-N 484.553 0.989 30 20 JCED CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800775651 ABDWNEBWROCZNC-KRXQYRFLSA-N 469.560 0.310 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1801244600 YEFXHYYOYICDGY-HIRMHNASSA-N 460.535 0.739 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)[C@H]2C1 1801914895 QYXPJHGIGUBGGN-NWCWSAAOSA-N 461.515 0.595 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CCC3)c2C1 1801980929 SZRJEKYQWNTBOH-ALXJQNPVSA-N 499.572 0.926 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1cccn1C)C2 1802126678 MLPMFZVQWDAOFQ-ZMMAXQRCSA-N 472.542 0.714 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)c2cc(C)on2)[C@H]1c1cccnc1 1802483578 SMYGSHQTZWLYFH-KGPYNAKISA-N 480.525 0.672 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808820427 PWFSJAFQLYVIMT-GBXCKJPGSA-N 491.541 0.262 30 20 JCED Nc1n[nH]c(CCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=N/O[C@@H]2CCCCO2)CC3)n1 1819556955 ZJLGTHRSCGRWGN-LTSMXGBHSA-N 462.536 0.917 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819776810 NQOCDPBZTGHFLB-BBOZKOTMSA-N 452.537 0.591 30 20 JCED Nc1n[nH]c(CCC(=O)N[C@H]2CCc3nc(NC(=O)/C=N/O[C@@H]4CCCCO4)sc3C2)n1 1819901414 FYCBVMJGARFULO-IKBWJELASA-N 462.536 0.917 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1828284287 HXDYHWVIHUGRDZ-OCCSQVGLSA-N 474.547 0.658 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1828579601 IKLOASVNCYJNAD-CJAUYULYSA-N 495.536 0.353 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCN2C(=O)OCc2ccccc2)C1 1829232463 QGNDIQFWWKRFTH-NLFFAJNJSA-N 494.552 0.769 30 20 JCED CCNC(=S)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829244694 ZISCVIXYXFFKPT-HSZRJFAPSA-N 486.598 0.836 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)COCCO)C2)C1 1829345701 LLCGKZDIVIBBQA-JTSKRJEESA-N 465.572 0.766 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1829766452 ZSTCSSRZVJFEHW-XXGSHBOYSA-N 453.499 0.491 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)ccc1Br)CCO2 1830170535 OWKSKRPZNNHEGX-LJQANCHMSA-N 469.263 0.746 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccc(OC)cc1)CCO2 1830211445 VCFGXCBPNOOVLH-IKHHBBACSA-N 473.526 0.043 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCC(C)CC3)CCO2)C1 1831108016 UZLYLFABJGIBQB-HSZRJFAPSA-N 451.564 0.684 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831340183 DFZUTNFIDMAWBG-NRFANRHFSA-N 467.519 0.131 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1831397671 VNOUVBRFMVBTHN-FDDCHVKYSA-N 453.499 0.376 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1831426187 KKAONCLYSOCTPW-VFNWGFHPSA-N 455.458 0.905 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1831999788 CUPXIHKWBYYYEI-GAJHUEQPSA-N 494.545 0.706 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC1 1832013981 OPZDMVJRXDOLRU-PMAPCBKXSA-N 458.515 0.936 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCSC)CC2)CC1 1833076683 KJVYYDMCWJWAJN-PHWHVTFISA-N 452.621 0.530 30 20 JCED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833314212 DVPZWHXIUQWDAC-INIZCTEOSA-N 464.563 0.807 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c(O)n1 1833698420 HLJABQXKPWVQJT-QHCPKHFHSA-N 485.497 0.491 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c1 1835447407 BBJDBVHMFQGWOT-DEOSSOPVSA-N 456.543 0.659 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)CCO3)C1 1836214213 YJVQRPXQESZHCI-AXHZCLLHSA-N 479.574 0.779 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)cc1 1836781342 PABMAFIIBMWLLR-VWLOTQADSA-N 492.536 0.466 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)c1ccccc1 1837207706 DWIMFZNOJVKZLV-BKSPAHHJSA-N 487.553 0.705 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837374469 GVCHMSJLTUDPEE-SBUREZEXSA-N 476.961 0.856 30 20 JCED N[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1cccnc1 1837442412 XEPMHWOXPLKLCS-SBZRFHNHSA-N 458.563 0.400 30 20 JCED Cc1cc(C)n(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837488815 SUWLKRYEHLSQHL-DEOSSOPVSA-N 458.559 0.655 30 20 JCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528440 KLAFXRFDXAVTPH-HCFRLYGJSA-N 486.529 0.637 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C)CCO2)C1 1838220602 JDVCIVAIASFBJP-HOYKHHGWSA-N 487.557 0.772 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838333767 NQCAVTCOHPYRLD-NTKDMRAZSA-N 490.557 0.859 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)cn2[nH]cnc(=O)c12 1838468441 FACKKOLBPLMRMJ-DYESRHJHSA-N 463.560 0.355 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)c1 1838579052 AJUILRGWJUWVCL-HSZRJFAPSA-N 451.483 0.670 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)c1 1838581809 QWZJWHXHBKEENU-XMMPIXPASA-N 466.494 0.499 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838628197 ZPPYLCJZDFNMRA-HXOBKFHXSA-N 491.497 0.967 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)c(C#N)c1 1839131386 FDNTWMDMCJBYIM-XMMPIXPASA-N 495.492 0.368 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F)CCO2 1839219348 DSDNMFYSKQOFBD-IIBYNOLFSA-N 471.501 0.968 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1839223484 WUDJHGVCQDWXGV-QRWLVFNGSA-N 453.471 0.653 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839273409 MPSHWGUGACBUBG-QFIPXVFZSA-N 475.502 0.652 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476868 MJAJKCIMYLWOMO-WMZHIEFXSA-N 498.573 0.872 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(I)c(OC)c3)C2)C1 1839806664 BJIUVXVCSNGKAR-GOSISDBHSA-N 485.278 0.398 30 20 JCED C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1840028825 KNDYHAKMDSLTON-VTJXTGGHSA-N 475.608 0.425 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044310 CLLKESVEZPZEBL-DHIUTWEWSA-N 497.520 0.270 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1840108129 MZHAJBDAWHYXSB-SEPYTNNBSA-N 497.593 0.359 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1)c1ccc(O)cc1 1840220772 DBBKBAMPCOLOMK-WDZJFXIESA-N 483.565 0.966 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1)c1ccc(O)cc1 1840221725 HKYUQPWYXKNEKW-IQGLISFBSA-N 496.520 0.861 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840292707 FVNLZOBZSPILFZ-XDHUDOTRSA-N 472.542 0.643 30 20 JCED Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1840404778 CVWXUOHOVWQYLR-RKACSRGYSA-N 463.535 0.738 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1840907226 QUVBPMIKTNBLKC-UUOWRZLLSA-N 489.573 0.715 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1840907389 TZTQDXUIGBHJPT-CYFREDJKSA-N 478.590 0.455 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1845189749 LUTLKYWVRIWWOH-UHFFFAOYSA-N 492.573 0.779 30 20 JCED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 486271333 RURJAZSJBVPHSF-NRFANRHFSA-N 467.551 0.830 30 20 JCED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 497608209 PSAYOBPOZQSKRO-UHFFFAOYSA-N 475.552 0.444 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)s1 521295930 SVSNBCJTLJTCSA-UHFFFAOYSA-N 482.653 0.358 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C 603456141 FGNWKHHPKYGXQA-UHFFFAOYSA-N 476.580 0.987 30 20 JCED CSc1nc(O)c(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1C#N 603641850 LFPFIOZOOUJUPF-UHFFFAOYSA-N 462.557 0.658 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O 608911158 NVOJLBRETVRYCR-UHFFFAOYSA-N 450.442 0.539 30 20 JCED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 608912035 ANUMHIRRZHKMTQ-UHFFFAOYSA-N 462.597 0.104 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C(C)(C)C)c3)c2=O)cn1 726180877 WLKBKWFTTJUFOU-UHFFFAOYSA-N 451.556 0.849 30 20 JCED N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 728188803 OYPKIGMTQQTTCZ-MOPGFXCFSA-N 466.585 0.188 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(NCCO)cc2)CC1 728324528 CHOCNKYUZYOECD-UHFFFAOYSA-N 472.523 0.652 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c(F)ccc(S(N)(=O)=O)c3F)CC2)o1 747271075 VXJBMXYOSXFHFB-UHFFFAOYSA-N 469.426 0.286 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNS(=O)(=O)c3ccccc3)CC2)o1 915373795 GAAJRSNUEVKOOX-UHFFFAOYSA-N 461.500 0.415 30 20 JCED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COC(=O)CSCC#N)CC2)c1 915386334 KHNMZSFUEUOUDT-UHFFFAOYSA-N 457.530 0.337 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)CC2)o1 919244519 JBGLFURHBOQJFM-QHCPKHFHSA-N 498.471 0.653 30 20 JCED Cn1ncc2c(N3CCN(C(=O)COC(=O)c4ccc(-n5ncc(C#N)c5N)cc4)CC3)ncnc21 919548873 AVGKCLMKXOWRTL-UHFFFAOYSA-N 486.496 0.508 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1541804437 WDJBCDIWAKYKEF-HNAYVOBHSA-N 487.586 0.684 30 20 JCED COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1554807766 KKSQNUBKVXKSBX-ZDUSSCGKSA-N 485.364 0.994 30 20 JCED C[C@H](CC(=O)NC[C@@]1(N2CCOCC2)CCSC1)/N=C1/NS(=O)(=O)c2ccccc21 1583305287 QQPFRLOSDVSMQW-QRWLVFNGSA-N 452.602 0.828 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1691004884 VOEYJFWPRMWWKK-CRAIPNDOSA-N 458.548 0.903 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705688370 QPLXKHPVJYDANQ-OAHLLOKOSA-N 489.440 0.735 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1=O 1722871298 ZQIANTAUADEFLF-SJORKVTESA-N 467.596 0.609 30 20 JCED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1730734055 GXDVCORDDDTTRI-FQEVSTJZSA-N 455.563 0.828 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1777963787 QTXOGRXBDQWOEA-OIMFZILRSA-N 469.579 0.977 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 1778855668 JCAQIQKRQNCBPI-DNRQZRRGSA-N 469.538 0.489 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCOCCOCCOCCOC)CCO2)C1 1778978152 DHBCXRZHIBIZAS-HYBUGGRVSA-N 486.606 0.476 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1779402457 PCCGYZJJWOECNB-UXUIZLJCSA-N 477.514 0.707 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779417432 BXLSQKQMZQXVCA-YLIXNKEUSA-N 462.547 0.888 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)cc1 1780059652 BLQXUCXPFJGEJI-DEOSSOPVSA-N 458.478 0.913 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1Cl 1780190062 HXFDWKCWLBKPLZ-OAQYLSRUSA-N 454.874 0.858 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)CCO3)c1 1780335818 LOSNSAXKLLQHIN-WRALFONMSA-N 463.538 0.965 30 20 JCED CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3n[nH]c4ccc(C#N)cc34)C2)CC1 1781204793 NMWFEPNMEXMWQC-PXDATVDWSA-N 479.585 0.809 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781426011 PHEQVCPTDMYZER-NPFVIJTESA-N 460.535 0.577 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1783994414 XGABASCOTIKSSX-APZOMWMKSA-N 498.577 0.381 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784111870 CCHLMVGQQOGPKJ-QMHKHESXSA-N 476.530 0.211 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1785451671 DVYANCYXPHHZQY-JKHABCDFSA-N 459.518 0.741 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785784413 XZTSOYLMGCVGIH-IWFBPKFRSA-N 483.569 0.040 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)c2ccccc21 1788659338 JJOOXFSXIULNMT-GFBWYYAUSA-N 499.568 0.849 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Cn3cncn3)[C@H]2C1 1788725700 XBLWPQIMLLLREG-HVTWWXFQSA-N 488.589 0.811 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4C(=O)C=CC4=O)C[C@@H]32)c(C#N)c1 1789840182 OIQRIPZDELXRQD-YYWHXJBOSA-N 480.521 0.404 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1789904147 GGXDWICJQJZGGU-VMXHOPILSA-N 495.621 0.418 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccc(Br)c4n3)C[C@@H]21 1791077505 BCDINAGICXWIAR-XEZPLFJOSA-N 475.299 0.778 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791258237 HBVLOLCDRFWADI-WCFFLTKMSA-N 491.676 0.946 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C[C@@H]21 1792172010 HTUVGPUABBGBGC-HVTWWXFQSA-N 463.575 0.997 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1792261276 GOXRDPAWLSSZBM-CUSZFKRNSA-N 460.535 0.325 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794270116 WRTHNKGUEKQDIC-CYGHRXIMSA-N 485.541 0.300 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1795894699 CPJSZBHQDJHZNZ-STEXWYFWSA-N 495.573 0.456 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H](N)C(N)=O 1796085648 OGBXSRGAHZGOBW-ZRSRNVLSSA-N 477.606 0.914 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccn3c(O)nnc23)c(C#N)c1 1796288782 LVIZKIPZVYVQNU-UPHUGPLXSA-N 476.493 0.761 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H]1ON=C(c2ccccc2)O1 1797643271 LJGTZFWOFCJFEO-LOZNHANFSA-N 472.498 0.840 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797657064 DMSAJNVUIILZCC-FQLMCAECSA-N 491.463 0.598 30 20 JCED Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C/N=C/c3ccco3)c(C)n2n1 1797838668 KYCNSOYJVMLPMK-NFKCIYQVSA-N 451.487 0.656 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)C2)cc(C(F)(F)F)c1 1800526555 UMLLEZBJCZQIPI-ZXFNITATSA-N 450.417 0.916 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2)C(F)(F)F 1800549762 LKPOSIKBSLEWOI-QDMKHBRRSA-N 453.483 0.366 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)C2 1800773316 KIEZVXUTNNLYFC-GPVSGQMNSA-N 465.462 0.245 30 20 JCED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1800839592 RPAKYACKQUYMEH-JHDGKUDLSA-N 466.575 0.344 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2)C(C)(C)S 1800907089 YSOCOPUFLCQGHZ-ONMISFSYSA-N 498.646 0.704 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)C2 1800990067 XBLVQPNNFFKTLQ-VVIOYZBGSA-N 469.604 0.919 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(C)C 1801555707 YMVGYPYBDONYJI-AJYBTWMASA-N 450.580 0.833 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2)NC(=O)OC(C)(C)C 1801928822 VMNHLKVKEIRCAB-GHHWKCCRSA-N 466.579 0.947 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)(n2ccnc2)C1 1801990372 VJVGJRUYLKAGLE-AIDSWVIKSA-N 485.541 0.945 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802087774 QYMCKGKVLQRTOB-ILOCAZANSA-N 497.589 0.606 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1807145302 IWZLVOXXMKZQQO-OXJNMPFZSA-N 499.597 0.835 30 20 JCED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)cc1 1811354540 JUEMWDCLILWFQR-WIYYLYMNSA-N 483.492 0.907 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812881223 WJRHDRJKRPINAH-WIRSXHRWSA-N 486.525 0.546 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1822924345 BVLOCNSBPPTJLF-SNVBAGLBSA-N 472.487 0.004 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC#N)CC2)n(C)c1=O 1825105703 YFSOLRAZPQQJQU-QGZVFWFLSA-N 469.546 0.357 30 20 JCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1)n1cnnn1 1828927607 XVOPJSCHYNSULU-MBSDFSHPSA-N 480.529 0.990 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829202351 IRPARFDAJWDWQS-SFYKDHMMSA-N 455.515 0.075 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@](C)(O)CC(=O)O)CCN2C(=O)OCc1ccccc1 1829355623 ALIKWPWIENZHDL-ZEQRLZLVSA-N 471.510 0.688 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccc(N(C)C)c3)C2)C1 1829764834 XUOBAKSCNHSXAY-RRFNBQSRSA-N 486.569 0.446 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1829771254 OAQAUKAIPPXOGZ-IYZQMXKPSA-N 453.499 0.263 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1832111994 SFNIICCAYYSCGO-QHCPKHFHSA-N 479.574 0.618 30 20 JCED C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)C(F)(F)F 1832163230 VRRRBNATFWROGU-VQTJNVASSA-N 481.431 0.818 30 20 JCED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)C2)no1 1832924138 FOWBKDHQVOJJFK-FQEVSTJZSA-N 494.430 0.976 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(-c4ccccn4)nc3)CCO2)C1 1833289349 QJNZSTUYPNDZIU-HOYKHHGWSA-N 465.510 0.647 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833565810 VMRFPIAPESDGIT-QFIPXVFZSA-N 487.538 0.210 30 20 JCED CN(C)c1cccc(OCC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1833724822 ZTJOVSFVRCOBRH-UHFFFAOYSA-N 456.543 0.791 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccno3)CCO2)C1 1834156248 SDJKVTBDOAYTRF-ZHRRBRCNSA-N 462.503 0.661 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 1834516845 LFRKOEGDTYKYOM-LJQANCHMSA-N 474.627 0.938 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)CC1 1835402723 PYUZBYUBWYEYCA-DEOSSOPVSA-N 455.559 0.266 30 20 JCED N[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1cccnc1 1835834529 SVWFZUYEJKQJDS-UBNNLIKPSA-N 455.515 0.640 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1837484778 DUPLTXQMKACUMI-JOCHJYFZSA-N 462.934 0.899 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837491732 WSIXVPSTVYPTNH-XMMPIXPASA-N 467.526 0.498 30 20 JCED Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493823 ZMTLNOCULJEJPZ-DVECYGJZSA-N 458.559 0.908 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529903 GTBJNUPVWKJCPG-SJAQWOJPSA-N 474.514 0.385 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1838356859 CPRJNJMNDXBOEQ-MAUKXSAKSA-N 456.540 0.850 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3occ(-c4cccnc4)c3[nH]1)CCO2 1838430903 FYHMGNWXLAZLDC-DEOSSOPVSA-N 478.461 0.981 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ccc(F)cn5n4)C3)C2)c1 1838740799 VBHDXHJWSOBBNQ-OAQYLSRUSA-N 453.434 0.452 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)nn1C 1838835524 MBQICXDMVJHBIK-QFIPXVFZSA-N 457.462 0.823 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)Cc5ccc(F)c(C#N)c5)CCO4)C3)CC2)CC1 1839187471 FLCOCVMANRZMTL-RUZDIDTESA-N 499.587 0.476 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210178 GXXUKVUKNCITKP-VGOFRKELSA-N 453.536 0.132 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)N4CCN(C)CC4)C3)C2)c1 1839452924 DRTZVGWKKKSGAQ-CPJSRVTESA-N 469.586 0.573 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839624918 SXSWPOWKVFLQKB-OPAMFIHVSA-N 461.494 0.512 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)O[C@H]2C1 1840016299 VDLCDBPIQVHYNM-ZHSNQQFMSA-N 478.546 0.381 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1840806701 VEIMLWYBSWEHDP-VWLOTQADSA-N 490.601 0.409 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CC#C)NC(=O)OC(C)(C)C)CCO2)C1 1840907429 VCLOTKSNIHYBAX-IECBHUPTSA-N 477.558 0.398 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1840909180 NYTUMTPNBKYQNO-IVZQSRNASA-N 493.586 0.712 30 20 JCED CC(C)C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)N(C)C(=O)OC(C)(C)C 1840917965 YJBOUELNWJRCDA-KOSHJBKYSA-N 495.573 0.812 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC3(CCCN3C(=O)C(C)(C)NCCC#N)C2)C1 1842921463 XDPCUWNYRPPVHH-QHCPKHFHSA-N 463.579 0.844 30 20 JCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)C2)c(C(F)(F)F)n1 1843234482 FECXJRNTHBEIIK-UHFFFAOYSA-N 473.375 0.229 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1846282681 DSVJHRYJPDBANB-GOSISDBHSA-N 484.557 0.866 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1[C@@]1(C)NC(=O)NC1=O 497765887 JFPOAILQWOZGSB-OAQYLSRUSA-N 470.511 0.527 30 20 JCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 515971855 GDOWONZDBMMDGC-UHFFFAOYSA-N 476.493 0.942 30 20 JCED Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1-n1cnnn1 516013885 GTOVUAQLTDNUCR-UHFFFAOYSA-N 480.510 0.314 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc2c(c1)OCCO2 590994648 GCOXZFCAKKPMRI-UHFFFAOYSA-N 484.559 0.701 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCNS(C)(=O)=O 608913053 PYKBYGIZJYOFKR-AWEZNQCLSA-N 491.591 0.364 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc(C(=O)NCc3ccc(C)cc3)s2)C1=O 726041962 AKNVZGDJWWXOIR-UHFFFAOYSA-N 457.468 0.797 30 20 JCED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCN(C)S(C)(=O)=O)cn1 726887836 KBRANNJAULQQGW-OAHLLOKOSA-N 469.589 0.972 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@H](C)C(=O)N3CCNC3=O)nnc12 729363696 LTLPXJIQAZUIRE-GFCCVEGCSA-N 456.484 0.806 30 20 JCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914652754 GZLKZZUDHWDHBR-IRXDYDNUSA-N 494.570 0.530 30 20 JCED N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1C(F)(F)F 916780704 VQWBDCARKSIEFW-NEPJUHHUSA-N 479.458 0.418 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 920614816 ROPUWICUEOYMCX-INIZCTEOSA-N 452.533 0.390 30 20 JCED COc1ccc(CC/N=C(/NCCn2cncn2)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 1120460100 FOAYGBZZADHMPP-FQEVSTJZSA-N 475.619 0.975 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccccc1F 1541804582 YNJDQIWVCYKAPI-YJBOKZPZSA-N 493.565 0.918 30 20 JCED Cc1nn(C)c(N2CCN(CC(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)CC2)c1C#N 1617284260 PAUSJNXGTKROEG-AWEZNQCLSA-N 457.560 0.347 30 20 JCED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 1618468472 ZTZXIARSAFVIHH-UGKGYDQZSA-N 474.587 0.809 30 20 JCED COC(=O)N1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1729788251 UXJCWQKVHXJYTG-SFHVURJKSA-N 495.606 0.829 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2cccs2)C1 1750210926 YWZYDPPSMDVOQL-MRXNPFEDSA-N 493.615 0.842 30 20 JCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760307811 UUVNSCAXTGPDNS-KBPBESRZSA-N 453.341 0.965 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777832090 NTNZJZMESFGFQF-WAIKUNEKSA-N 483.529 0.484 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1)c1ccc(O)cc1 1778263867 MZTHSPUWXWOBGX-GJZUVCINSA-N 468.598 0.967 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779072336 IRYKEKAZKLHBGZ-AUSIDOKSSA-N 483.481 0.373 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1779317219 CKDXQLIUEATVEK-WIYYLYMNSA-N 493.358 0.915 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779397539 POAPJNAEIPHUKK-YZUZCNPQSA-N 492.569 0.694 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1780739861 SGUPBLVYMRPSEL-QVKFZJNVSA-N 483.612 0.870 30 20 JCED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CNC2=O)C3)cc1 1781009496 MSQLWPVYQWEULH-WZONZLPQSA-N 453.499 0.432 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1781269599 BDXVTAOEDPJTEI-HSZRJFAPSA-N 483.562 0.867 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C2 1783269195 RWJKEVOYULZIBD-DRSNIGMVSA-N 485.603 0.462 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)C[C@@H]32)cc1 1783440556 MXBJKNOISSDPRN-FHWLQOOXSA-N 453.499 0.022 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783887530 ZOYJKIVVURLOAV-FOIQADDNSA-N 457.593 0.897 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1783897061 HKHBWZCBPPEJTL-MDOVXXIYSA-N 493.648 0.463 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784576137 VRZKZUFCTZMJOO-WOYTXXSLSA-N 466.535 0.544 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784980500 KVTKNSRXTFXOSO-CAMMJAKZSA-N 489.573 0.491 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1785572234 KPRJFASAPPUYQM-OPAMFIHVSA-N 464.519 0.185 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1785575493 CUEJPCHTZIHSJF-ZXBGJVLQSA-N 462.547 0.773 30 20 JCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C[C@@H]21 1786369808 PSOVAXKNCCKWFJ-SXYSDOLCSA-N 470.526 0.652 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1786677685 WKFIUINZEFCIBB-OYSTVDSJSA-N 476.574 0.810 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1789891313 MJHYRSGAYNVKJF-BXWFABGCSA-N 473.530 0.119 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1)c1ccc(O)cc1 1790636970 BQUQLYOSOMOLOI-ZFMNYDKASA-N 485.537 0.412 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1791108113 LWZXRWZHVACMNJ-MJUPKGCFSA-N 479.574 0.375 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792632988 AWNBWJUXQVIMAD-DFGXFYAUSA-N 480.562 0.972 30 20 JCED Cn1ncnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1794571110 RJGNMVXUTNKUKM-MIFYACCESA-N 459.304 0.966 30 20 JCED Cn1nc2c(c1C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)CC#N)CN(C(=O)OC(C)(C)C)CC2 1795083636 MAJHUPKKLMYRJP-CCWDJLKJSA-N 472.546 0.830 30 20 JCED COC(=O)[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N)NC(=O)OC(C)(C)C 1795420559 IARVKISRGSACKE-BASYENTBSA-N 452.508 0.336 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NNC(=O)C2)c(C(F)(F)F)n1 1797681561 BPXPBBGHACJTBD-KEODLESXSA-N 450.377 0.051 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)[C@H](O)C1 1797942314 ADNIAQLZTYFHGT-WSRNIBOVSA-N 463.531 0.721 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2 1799231612 ICEAREAMNBLYOZ-ZMMAXQRCSA-N 474.562 0.715 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1799334932 ZUUVOJORQDUEDF-ZFVIQDPVSA-N 498.580 0.973 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801443343 KOTHINDJCIBKDZ-FLXSYLCISA-N 492.598 0.314 30 20 JCED CN1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C3)C1 1801558597 UOMMHFYOVLMKAE-REPLKXPHSA-N 475.590 0.678 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)n(-c3cccc(=O)n3CC)n1)C2 1802021730 HXWQFENDBRQKQF-FEJSZKPUSA-N 451.527 0.979 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1802127195 RKGQKWQKZBSBAW-SFNKJDCFSA-N 460.535 0.174 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1811536941 YENKSQMSBGWNDW-KSSFIOAISA-N 458.442 0.041 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816673634 JXVNUWIHYIPVCI-GFCCVEGCSA-N 482.526 0.194 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@@H](N)C(N)=O)n[nH]1 1817361654 LPWVBLJSCSOSPW-WBVHZDCISA-N 453.503 0.945 30 20 JCED Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)n(-c2cccc(=O)n2C)n1 1825665421 LSAKFWRODNWMLQ-CYBMUJFWSA-N 480.506 0.650 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827401861 DZDJQJUXGLBKEK-LJQANCHMSA-N 490.524 0.997 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828585563 XQEKGPADSPOYKU-VWLOTQADSA-N 498.536 0.441 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1)n1cnnn1 1828922559 LWHPEQWQCXVFTN-HOYKHHGWSA-N 492.540 0.990 30 20 JCED Cc1nnc(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)o1 1829005801 FNELPLUXZFQPRG-DEOSSOPVSA-N 495.492 0.461 30 20 JCED NC[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1829049851 KJUYCFZRQCOEKY-RAUOJAJZSA-N 496.568 0.437 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829309572 XRPJJBLRXOLHDZ-HXOBKFHXSA-N 455.515 0.877 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCc3cnc[nH]3)C2)C1 1829330703 OPZHZWUJHOMFJN-RUZDIDTESA-N 493.520 0.882 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1829907359 JQJOOTZNIOVSFN-UGKGYDQZSA-N 461.540 0.134 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1831998881 USRUONZTCUEMSC-OPAMFIHVSA-N 463.535 0.949 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833020777 FJFWMDIDZWBNJO-KKSFZXQISA-N 452.577 0.809 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)C3CN(C(=O)c4ccccc4OC)C3)CC2)CC1 1833227255 NELFUJAFCZCLES-UHFFFAOYSA-N 452.555 0.972 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1833465365 BQKTXHIFEGNCNX-HDMKZQKVSA-N 463.604 0.399 30 20 JCED COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834128532 HNTFICRNVMDJDY-XMMPIXPASA-N 457.527 0.859 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834388059 DEFYFNJQRBYSIK-MBSDFSHPSA-N 475.546 0.256 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn(C)c2C)CCO3)c1 1834427741 ZYGRCXUODZFRHV-QHCPKHFHSA-N 453.499 0.993 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1835768370 BRNMSWKQDOYVIY-DGEAWOGYSA-N 475.546 0.012 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835860265 OUUUREBUIPWBQN-QRQCRPRQSA-N 477.518 0.102 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)CCO2 1836727650 OYFOKUGWDGSHJS-RUZDIDTESA-N 476.618 0.742 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1837443807 KBJQXEPZWGVNRK-JKJLQIMHSA-N 454.531 0.876 30 20 JCED COc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488567 KOABHKCUEIAVAH-DEOSSOPVSA-N 457.527 0.859 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1)c1ccccc1 1837613609 BLPWIOVPNMGWBD-ZJSXRUAMSA-N 451.527 0.932 30 20 JCED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)N4CCOCC4)CC3)CC2)c1 1838402312 YDRBANYAUTZUDK-DEOSSOPVSA-N 456.543 0.821 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C3)C2)c1 1838579367 JXNZZZCIZPKRJA-UXHICEINSA-N 471.432 0.950 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(-c3ccccc3)n1)CCO2 1838742604 JUJVIWDRVBMLKZ-KWQGRVAKSA-N 479.537 0.801 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)c(C#N)c1 1839133030 YAGUZVOXUIDMSW-RUZDIDTESA-N 493.520 0.599 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1839174547 JBGNMIACSJUXTL-HYBUGGRVSA-N 459.543 0.695 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)ccc1F 1839186352 OEOQCTGZDAEXEB-QHCPKHFHSA-N 470.457 0.816 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1839225149 YUHRKFKHVZSVCC-JTSKRJEESA-N 496.586 0.497 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1839226428 OJUXZIFQECGXNS-VWKPWSFCSA-N 472.539 0.087 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)cc1 1839361486 NULAUUVQFCXZBK-HSZRJFAPSA-N 465.466 0.625 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)cc(C(F)(F)F)c1 1839442977 JWTFDIYVSACHOD-UWJYYQICSA-N 480.443 0.926 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840438190 UCTXFUPIDVRWAE-VWLOTQADSA-N 481.553 0.987 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(c4)NC(=O)CO5)C3)C2)CCC1 1840814219 VIDKWGZDWRDWOE-HSZRJFAPSA-N 454.483 0.781 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1840820666 DDCLSCDVIXXULH-ZFTMLNQLSA-N 463.494 0.897 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840853056 CGRGKDFNZDFPIZ-YCBLCKBMSA-N 451.568 0.219 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C)n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n1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 21229398 MSRQNUSYXPYLBU-CYBMUJFWSA-N 480.572 0.828 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c1=O 22282742 XZYNQJZSTFVYLE-HNNXBMFYSA-N 479.415 0.850 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480154191 IEMNUUXTFDFSCP-UHFFFAOYSA-N 484.578 0.042 30 20 JCED COc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1NC(C)=O 517109238 NEYNUFUPKRSJTK-UHFFFAOYSA-N 485.522 0.997 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCNS(C)(=O)=O 589160121 BKJBQHFTYSBDGC-LBPRGKRZSA-N 469.535 0.855 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 603793620 RTMGNKZOEYBKFV-UHFFFAOYSA-N 498.605 0.789 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)CC2)cc1 603880747 GQVUMVVXRSEBCY-UHFFFAOYSA-N 482.566 0.802 30 20 JCED COc1ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 608889445 QYUCOLNJQWHKQI-UHFFFAOYSA-N 458.496 0.956 30 20 JCED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 609336883 NVZRDYTYVGDUKF-UHFFFAOYSA-N 467.548 0.687 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC2)C[C@H](C)O1 726584976 NMOXYAYLEPPLLW-ROUUACIJSA-N 490.586 0.252 30 20 JCED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(C)c2)c1=O 727162736 UFBSNYMQOHFNLI-UHFFFAOYSA-N 456.616 0.793 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1CCOC 728558109 YRMZVHMVVYUJDE-UHFFFAOYSA-N 455.515 0.910 30 20 JCED COc1cccc(NC(=O)CN(C)C(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 749274284 IANIELQOZUDKFO-UHFFFAOYSA-N 488.522 0.764 30 20 JCED N#Cc1cccc(CNC(=O)CN2C(=O)N[C@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)c1 915660553 AGTUQCZDAZIMHO-NRFANRHFSA-N 456.455 0.938 30 20 JCED Cc1c(NC(=O)[C@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(=O)n(-c2ccccc2)n1C 916961369 PITDAYVYLJEYDY-QGZVFWFLSA-N 493.501 0.977 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2CCS(=O)(=O)CC2)c1 918164550 WISQTDYKRBOQEH-UZYVYHOESA-N 456.590 0.949 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(S(C)(=O)=O)cc2)c1 919019907 CGAOPAPTHNSHGH-UHFFFAOYSA-N 464.521 0.475 30 20 JCED CN1C(=O)c2ccc(NC(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)cc2C1=O 921169204 LLDMAOPHFWRKNE-UHFFFAOYSA-N 456.436 0.244 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1468699718 XTABANGDTRKXHO-GDBMZVCRSA-N 454.574 0.545 30 20 JCED CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1)S(C)(=O)=O 1503437420 YGKVMTDIMAHTBF-UHFFFAOYSA-N 455.548 0.969 30 20 JCED COc1ccncc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1504461696 YNFUGPJTYSFGEY-LPHOPBHVSA-N 465.511 0.505 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1516829600 ZIFUDZLCYJZWBI-WMLDXEAASA-N 462.573 0.294 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCN(C)C1 1609509691 WBTJBTCYBHWWQP-WMZHIEFXSA-N 453.547 0.932 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCOC1 1706883719 PGJSKVCVZZIGTA-JTSKRJEESA-N 489.602 0.628 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722557157 ULVRULWXOMLFJG-CQSZACIVSA-N 465.967 0.753 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CCO1 1750026485 WBDULTHZHYNHHV-FQEVSTJZSA-N 467.530 0.596 30 20 JCED COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1771119262 JLSPOINMGGROFA-RTBURBONSA-N 476.559 0.707 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1779000273 SNFQVYTZXHNGRR-GHTZIAJQSA-N 453.612 0.932 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134810 PVZWOYXHEGCAOD-XPZLASIKSA-N 464.519 0.414 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)N2CCOCC2)C3)c1Cl 1780099333 MCVRGJCPIFHRQW-RZFNWQHOSA-N 476.961 0.990 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780190094 ITPXMGUEQSXKNK-UZLBHIALSA-N 450.879 0.720 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCOCCOCCOCCOC)C1 1780797645 KCINROFGQUIUCU-TZBSWOFLSA-N 498.617 0.625 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781337126 OUGOFIDRCVBBHR-JLHGSKIFSA-N 453.536 0.130 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781970832 FMIFGKFDEZSERN-OXQOHEQNSA-N 450.879 0.720 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO4)c2c1 1782199677 VEDVTFHKUNZVSF-UWJYYQICSA-N 457.512 0.455 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1782892953 DGFPBWUTLWDCNW-ZHRRBRCNSA-N 465.551 0.492 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257968 JWMRFHACQUFJIG-JOCHJYFZSA-N 453.656 0.154 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1)n1cnnn1 1783782270 SBSRGTSPJXHCLC-ZSDSOXJFSA-N 497.622 0.666 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783993549 ONPSOIBFQCGTMW-ATIWLJMLSA-N 469.579 0.425 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2)c1ccc(O)cc1 1784018465 QILQQHKIOKMEIU-CJAUYULYSA-N 490.520 0.764 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1784246065 XCVUWZVHHGQXSW-WMZHIEFXSA-N 489.550 0.066 30 20 JCED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc(F)c(C#N)c4)C[C@@H]32)CCC1=O 1784983217 LGOBPVCODAQDSU-KNBMTAEXSA-N 455.490 0.828 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)NC(=O)OC(C)(C)C 1785307732 HYDHOZBNKLGIHX-QSAZIKIQSA-N 498.577 0.740 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785308772 SJKSADCUVCRIKH-OPAMFIHVSA-N 452.552 0.941 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785784236 SCFFSMLVOAFVQI-BJLQDIEVSA-N 487.626 0.920 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn(C)c(CC)c3I)[C@H]2C1 1787137280 QNPVRPNWXDEYBU-OBJOEFQTSA-N 470.311 0.814 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc(O)nc4O)[C@H]3C2)c(C#N)c1 1787430773 SZFAZYRAHHRUKQ-JVPBZIDWSA-N 467.482 0.604 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(=O)(=O)N4CCCC4)C[C@@H]32)cc1 1789570807 XCKHDZZMKJNILK-UFYCRDLUSA-N 460.556 0.577 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1cnn2c1OCCC2 1790370461 VHLPHRHGVFMCNN-IHPCNDPISA-N 456.543 0.958 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21)c1ccc(O)cc1 1791335143 OUBSAXWDQUBEBL-QIJZPMMNSA-N 485.537 0.412 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CC 1792865950 GZFRGJQRSRYZPF-RZFLPCETSA-N 498.577 0.152 30 20 JCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1793571445 UWLFQRSUWTXIBK-FJIDUMEYSA-N 497.577 0.954 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc2c(c1)OCO2 1795318741 YRGIYJBZVQEMFV-DQLCWVGYSA-N 455.511 0.796 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cc1 1795416147 VGVMNCAVZNQUDW-XCAHKLDHSA-N 493.582 0.751 30 20 JCED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1)C(=O)OC(C)(C)C 1797740925 FLNOVKJZKJWVQZ-YAHCNQDQSA-N 451.568 0.915 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)nc3cccnn23)c(O)n1 1798497963 JTEGOAUMQJZTJS-MFKICJERSA-N 490.520 0.826 30 20 JCED C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C)C2 1800755681 KZKIJOMGFJVBNN-FSIJUFHLSA-N 486.569 0.964 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)[C@H]2OCC[C@H]21 1800836005 RJEYJQRHULPGLE-ZHRPLEGYSA-N 462.547 0.904 30 20 JCED COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1800848440 CRESYUUWRZAXBA-IUTQVRIDSA-N 475.542 0.458 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1cncn1 1801260903 SGJPDZFRWLSILA-SFNKJDCFSA-N 462.551 0.727 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1801966106 NGMLZLDIXSVPCP-JTJHWIPRSA-N 494.633 0.702 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccco1)C2 1802124493 CRBZTGNUNKRIGP-MGGVOPSTSA-N 461.515 0.819 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CN(C)C1)C2 1802281502 DRUPLEJCVOENQD-RDGPPVDQSA-N 493.605 0.992 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1812878026 STTJZAQBGIZFNG-JLTOFOAXSA-N 453.411 0.801 30 20 JCED Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)c(=O)nc1O 1814038484 ABDLDIFRXFAIJI-UYAOXDASSA-N 481.557 0.640 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1819451059 JDYDRIKQLLTVPM-GNCZZYFXSA-N 496.590 0.661 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1823745372 FULBLTJDVTWUQY-HCZHMGAMSA-N 480.631 0.195 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cc(C)c(O)nc2=O)CC1 1823749686 SLYXGOPIMGHSIE-FQQSSWHASA-N 471.558 0.735 30 20 JCED N#Cc1ccc(CCC(=O)N[C@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)cc1 1825318728 BBKJEUOBMYILRI-SFHVURJKSA-N 471.583 0.846 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1cn3c(nc1=O)SCC3)CC2 1825669678 PLIBSDJTXBKLBJ-NSHDSACASA-N 459.509 0.048 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CN)CC2 1828298906 KWOBMZOHZNXHDH-FTWIIGPWSA-N 464.592 0.811 30 20 JCED CC(C)N(C)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829415960 OVJQYZCNXQXCGJ-RUZDIDTESA-N 484.553 0.867 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830041138 BQSQBBVVYBHUDF-SBUREZEXSA-N 497.593 0.183 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCC(=O)Nc1ccccc1)CCO2 1830673200 XBQCMWPEWSISOP-QHCPKHFHSA-N 457.483 0.340 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1830881501 YBGZTPBKGHGCQB-JXQFQVJHSA-N 497.589 0.670 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1831209263 KGPCBSBIROLGIC-HSZRJFAPSA-N 455.536 0.933 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1831427264 RCEVMRSQDJLQQL-FYSMJZIKSA-N 496.524 0.232 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831598070 PCIOLSMMEOELIA-QQMNAOGKSA-N 482.578 0.424 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOC)C2)C1 1831998669 QNLWZMYIEZHUEB-JTSKRJEESA-N 455.552 0.949 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833482911 KFCGDGSPLCEYGB-OZHVRZOASA-N 469.652 0.710 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3OCC3CC3)CCO2)C1 1833623989 FUZFOCGAGPDUHW-UUOWRZLLSA-N 457.527 0.979 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1833725482 IDZKBALETFUSRX-DFBJGRDBSA-N 485.585 0.690 30 20 JCED CN1CCN(C2(C(=O)N3CCC(N4CCC(NC(=O)C(C)(C)NCCC#N)CC4)CC3)CC2)CC1 1834716636 GULGOUMOZHEIBM-UHFFFAOYSA-N 487.693 0.620 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)[C@@H](O)C1 1834760501 FJBPPKZETUODHE-PDIWNELESA-N 480.562 0.364 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1835127097 LCNNNLOMEOXWLA-XFAGBWLFSA-N 494.589 0.581 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(=O)(=O)c3ccc(C)cc3)CCO2)C1 1835185649 PBBMUWQDBJYAQG-HYBUGGRVSA-N 494.610 0.798 30 20 JCED C[C@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674385 JIONMKKQFKUJLJ-HRAATJIYSA-N 464.592 0.682 30 20 JCED Cn1cc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)ccc2n1 1835679985 CVNVYLOJWQGJED-DEOSSOPVSA-N 468.558 0.925 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681241 QURGWLDMPWCTDH-FDDCHVKYSA-N 459.547 0.587 30 20 JCED N#Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)N4CCOCC4)CC3)CC2)cc1 1836287322 HTZGPXIGNLIKQV-XMMPIXPASA-N 455.559 0.394 30 20 JCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1836339066 CFFNNRTURRLSSI-CQSZACIVSA-N 465.645 0.781 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836871556 BFRPMLLCPLNHLJ-REWVYZQPSA-N 472.502 0.328 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1O 1837440764 XHVTVLWYAKYJGC-LPHATQMZSA-N 474.558 0.871 30 20 JCED CN(C)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488634 NAFWYOIJTUGDIK-RUZDIDTESA-N 470.570 0.916 30 20 JCED COc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1F 1837489239 ABQHKVGPLREMAS-XMMPIXPASA-N 475.517 0.998 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564260 DUJOZUMHADAGJB-JRCVBZDQSA-N 499.520 0.618 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1)c1ccccc1 1837614571 QPJUKIPEACSGFH-NTKDMRAZSA-N 452.511 0.516 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)n1ccccc1=O 1837681147 SRMVUTKVYXFUTE-CLOONOSVSA-N 464.522 0.980 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)NCC(C)C)C3)C2)c1 1838581730 LOJAHBSBXUGGJR-HSZRJFAPSA-N 458.515 0.409 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(C(=O)OCC)c1)CCO2 1838719276 PSERWPXDFVKBAI-XLQQFJOYSA-N 486.525 0.187 30 20 JCED COc1cccnc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838732389 NYXMGQMUQFUOFQ-QHCPKHFHSA-N 453.499 0.993 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)c1 1838740320 KCHWGDMNNFCHPU-OAQYLSRUSA-N 455.427 0.884 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)ccc1F 1839186825 PYYLNVUKCGRSTN-RUZDIDTESA-N 495.511 0.521 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)ccc1F 1839188066 JSHDDINYTSZSJG-HXOBKFHXSA-N 458.490 0.222 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191817 OFPLVUXAYVVDTI-PUZWTLIVSA-N 495.573 0.165 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([N+](=O)[O-])c1Br)CCO2 1839289897 JSFVRLJLWFKSFR-LJQANCHMSA-N 496.270 0.515 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1839388936 LPNSJGMCVFNWKP-URDVPIJWSA-N 459.499 0.251 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nccn4)C3)C2)ccc1Br 1839400837 CCQMMBCLPATZBQ-FQEVSTJZSA-N 489.330 0.682 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423943 DRBZKLSPSXGDRJ-QRQCRPRQSA-N 477.949 0.989 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC(F)(F)C(=O)O)C4)C3)c2c1 1839488121 YYEFBYHKOZQMSF-HXUWFJFHSA-N 477.424 0.615 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1)c1ccccc1 1839663814 PSCVGKUFAMDSSN-BKMJKUGQSA-N 478.549 0.897 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)[C@@H]2C1 1840010328 WLJJLVLTKIOHQX-AIDSWVIKSA-N 474.558 0.859 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(Br)c3[N+](=O)[O-])C2)C1 1840043587 HXHANOFFGBRJIF-LJQANCHMSA-N 496.270 0.515 30 20 JCED COc1ccc(OC)c(CCCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043647 MABWJZXYCATFIY-XMMPIXPASA-N 474.510 0.571 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840059837 RNNOKOGNADPCID-HYFFOGBASA-N 466.535 0.117 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCCO3)C2)C1 1840160596 MFEYIFGLHKGVKP-JKSBSHDWSA-N 487.619 0.787 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1840175443 QVJXAGXKCYLHRW-UZUQRXQVSA-N 460.531 0.655 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1840293354 WADADBPKFQDGPV-LUQKVYGDSA-N 450.561 0.439 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCn1ccnc1C)CCO2 1840386259 OZOSRXFIQABZRB-FUMRIQNTSA-N 459.547 0.287 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)cc1 1840897313 VWQGDJOFOMJFFO-QFIPXVFZSA-N 488.591 0.683 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)on3)C2)C1 1840906451 BXNPMTQCFINZGT-UZUQRXQVSA-N 476.530 0.970 30 20 JCED CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840910747 KRKIMCVJIWZINQ-AOMKIAJQSA-N 467.519 0.224 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)nc1 1842255374 RWVPSUSXIBIXDM-YPKZHZFPSA-N 450.517 0.831 30 20 JCED C[C@@H](C(=O)N1CC2(CCCN2C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1)n1cnnn1 1845137862 PNJHTPFQRJBKAT-INIZCTEOSA-N 472.550 0.978 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cnn3c1C(=O)N(Cc1cccs1)CC3)C2 1846196738 JBYLEOYXHDLWLG-UHFFFAOYSA-N 467.507 0.506 30 20 JCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1846371201 GRGUDAXNCKIVLX-KGLIPLIRSA-N 463.622 0.836 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Br)cc3)c(=O)n2C)CC1 480156929 ZBSKYGGDYVOTJE-UHFFFAOYSA-N 461.385 0.876 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nnc(COc3ccccc3)n2)CC1 494504937 FDIWIQDJUHJNMH-UHFFFAOYSA-N 467.511 0.657 30 20 JCED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1 503740795 WJLCEJYNEROKBU-INIZCTEOSA-N 487.519 0.654 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1C1CCN(C)CC1 516828163 YJLCPDARGYANQI-UHFFFAOYSA-N 497.621 0.791 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)s1 518214006 XWAYFTWDCCWDOX-UHFFFAOYSA-N 458.609 0.820 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c1 589161365 RSQBRYIDWQWPBM-UHFFFAOYSA-N 463.581 0.586 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 604120668 YTBRDXXIQHHWJW-UHFFFAOYSA-N 475.592 0.694 30 20 JCED C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 726294584 VHGXAZQFWVTQEO-CVIUTVQRSA-N 451.549 0.275 30 20 JCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC2CCN(S(C)(=O)=O)CC2)C1=O 726401194 NZHHPIALSFDCBC-MRXNPFEDSA-N 481.600 0.525 30 20 JCED CCN=c1nc(NCC)n2c(SCC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)n[nH]c2n1 727411348 QKINBMWSFVCQMJ-UHFFFAOYSA-N 481.590 0.949 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 727417697 POBDWMOQCAIUNO-UHFFFAOYSA-N 486.575 0.618 30 20 JCED N#CCSCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 915386175 DOROZMVOIDUXHT-UHFFFAOYSA-N 469.541 0.481 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2I)c1=O 916199097 ANRULXZSQVUVOA-UHFFFAOYSA-N 495.342 0.942 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(=O)N(C)C 918729674 GMXCQSZDZLBVEC-UHFFFAOYSA-N 462.478 0.405 30 20 JCED N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921132151 FEMIZLGWJLFPCU-UHFFFAOYSA-N 454.555 0.884 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1295490991 LXSBIOIHBICYMD-UHFFFAOYSA-N 482.589 0.807 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301017960 QPBDDJFORGHLGB-CYBMUJFWSA-N 469.033 0.891 30 20 JCED COc1cc(C#N)ccc1OCC(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1542963984 RYOCALTWHCAQBV-SFHVURJKSA-N 451.545 0.684 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1547783363 ZLNZRZNEEYQFRI-LJQANCHMSA-N 487.586 0.584 30 20 JCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1616923360 CVZWAETYXAXQGD-GOSISDBHSA-N 459.576 0.970 30 20 JCED COCCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cn1 1619922772 MQRFLUFBALORKE-HNAYVOBHSA-N 450.569 0.910 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCO1 1692798315 YTTMSSPYXHWULK-DOTOQJQBSA-N 460.564 0.661 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2ccccc2)C1 1731015427 SOOAAPIXZQRKLT-OALUTQOASA-N 460.560 0.973 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 1741056441 KYTNMRQFARPRDD-HXUWFJFHSA-N 471.587 0.604 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1761363058 KKAJMGCCBJDJRZ-CHWSQXEVSA-N 458.495 0.989 30 20 JCED CCCNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1764551829 WLIHLUYVTSXEFT-QGZVFWFLSA-N 467.596 0.657 30 20 JCED COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1768601454 VBSACMYFGOUCNJ-PBHICJAKSA-N 464.548 0.877 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCCC2)C1 1770350560 NLPGHBYZHNJRBW-ROUUACIJSA-N 495.606 0.132 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780594350 VFYRCNUNAXFEJX-JPYJTQIMSA-N 458.515 0.887 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1781168924 YTLVNRNZYJIOBD-CJFMBICVSA-N 492.617 0.845 30 20 JCED C[C@H](CN)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781169926 FBNVKUAWSWKCON-HXOBKFHXSA-N 463.579 0.952 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Br)ccc3[N+](=O)[O-])C2)C1 1781669249 YUGIKURABKZKDI-GOSISDBHSA-N 466.244 0.889 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1782015718 VZULTGIEBLCNAM-MXSVQDJISA-N 451.479 0.498 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4c(C(F)(F)F)cccc4n3)C2)C1 1782217225 RWRHXENRXBQGJC-IBGZPJMESA-N 450.373 0.885 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782356709 ZDEAAKXDKRZMDU-NXHTTZLHSA-N 477.514 0.514 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C[C@@H]21 1783528608 XSVNIAQJLNTCAY-YRPBKPAGSA-N 498.580 0.004 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]3C2)C1 1783682861 YFBFEGYARLAAEN-TXTZMMAHSA-N 464.563 0.744 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1)C(C)(C)S 1783780252 SWZQSGVSQIUJBQ-QTCYRWPVSA-N 486.591 0.526 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)NCc3ccccc3)C[C@@H]21 1784474450 JAFZWWVTXKSRIS-WVMBBRPCSA-N 453.539 0.877 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785608987 IEUQFKGPLKJYRA-ZMPRRUGASA-N 452.552 0.797 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=S)NCC)C[C@@H]32)c(O)n1 1785774653 VIZAQWNCWUHVGB-SNRMKQJTSA-N 475.615 0.983 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1785877595 UCAVAYJILJNUCC-DAWKRRPCSA-N 474.562 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4c(c3)OCO4)[C@H]2C1 1786596380 GRDUBCBCTPOOCL-KJDLQJKJSA-N 455.511 0.796 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1788595025 MIDVLOGGLYPCRF-ACRUOGEOSA-N 467.683 0.304 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1 1789258301 ALTFTHLWEMTCOH-SNRMKQJTSA-N 459.572 0.644 30 20 JCED O=C(CCc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1790567000 VFUBFOSUJQIJRH-IHPCNDPISA-N 456.543 0.793 30 20 JCED CC(C)(C)OC(=O)NC12CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)(C1)C2 1791014965 ZSZLTJIBWKUKDC-OGASTRMHSA-N 461.515 0.502 30 20 JCED COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1791134345 BJLQGIARTQTYNV-UFYCRDLUSA-N 468.595 0.318 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1793381145 SURXLLRXEZZJMF-ONTMVUMWSA-N 471.620 0.901 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1793381744 LRHSZHQXQYXGNG-CWFFCZEZSA-N 463.600 0.710 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)[C@H](C)CC 1793402375 JGDYEABAXVPFMP-NYLIBXOJSA-N 451.564 0.900 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCc3nc(O)nc(O)c3C2)ccc1F 1794112347 QTCWISDGWQAHST-LTTGWXLMSA-N 495.511 0.836 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795409832 RRWYCKUJANMHML-IZZQQSIFSA-N 480.562 0.438 30 20 JCED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2)C(=O)O 1795645687 PRTLZVMHYRLUQX-CXHZTBPHSA-N 468.432 0.843 30 20 JCED CCc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)c1I 1795907159 WZFFEHSOFMPPFA-WDAIWFPHSA-N 457.272 0.694 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O 1796316389 DUVFHZNFKCYHIW-BPKGMFCQSA-N 467.567 0.492 30 20 JCED COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)n1 1796598051 YDEIUZICQZWYKH-OPMZPASUSA-N 453.499 0.683 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC)c1ccc(O)cc1 1797589959 XUCGFJCLUHSLRK-USFRMQJTSA-N 473.526 0.543 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2)c1ccccc1 1797874464 YZHHMXUDYUDVAF-RVDAZCDBSA-N 452.511 0.371 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)nc3cccnn23)c1 1798498416 VRBBRGLKGITHBQ-OPMZPASUSA-N 458.478 0.787 30 20 JCED CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800775847 KGKANIPHSQJSMA-CLWJZODNSA-N 465.547 0.994 30 20 JCED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H]2c2cccnc2)C1 1802405473 KGMASFKKTYZLFI-XLIONFOSSA-N 491.552 0.501 30 20 JCED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804170957 QIBPINYHNCEYFN-RXVVDRJESA-N 466.629 0.737 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807947029 XPXLCCYEEBMXJI-ZVZYQTTQSA-N 466.502 0.100 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]3c3cccnc3)c2c1 1812069589 FWFADJUHSPFMKT-ZJBJCVSYSA-N 474.525 0.742 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825666885 DZXZXLHXPRSIME-GUTXKFCHSA-N 492.554 0.761 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCN2C(=O)OCc1ccccc1 1828578945 FQNHAQORMUNEFX-WZONZLPQSA-N 490.582 0.400 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCN2C(=O)OCc1ccccc1 1829226781 FKAPOCZUYIUMDE-NTKDMRAZSA-N 454.527 0.986 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1829266768 DMPPCLYFJWQQEI-JPYJTQIMSA-N 450.499 0.924 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1829766031 HDIUUVJSIUQYGL-IYZQMXKPSA-N 453.499 0.491 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1829766445 ZQZVGZFHACBIBS-FUMRIQNTSA-N 453.499 0.263 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnc3ccccn13)CCO2 1830661153 CNNLAFFWERVYLM-HCHKYEMOSA-N 485.541 0.862 30 20 JCED O=C(N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2)C(F)(F)C(F)F 1832246522 IPKIIMJKDJQUCI-LBPRGKRZSA-N 472.285 0.698 30 20 JCED COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1832579563 XNTHEHBDNAYWHN-NHVVDLMHSA-N 473.574 0.951 30 20 JCED CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1834419031 SNIXBTVHEKUITJ-HSZRJFAPSA-N 453.499 0.924 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835392925 IOMWZEBFMJYAFR-DVECYGJZSA-N 496.605 0.244 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1835674743 LKHOBWAAWWSMAS-JOCHJYFZSA-N 489.964 0.963 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)/C=C3\C(=O)Nc4ccccc43)CC2)CC1 1835688692 PEWHIYMLWTVGOY-CYVLTUHYSA-N 450.495 0.682 30 20 JCED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)N4CCOCC4)CC3)CC2)c1 1835759749 QSPIBMBRERRJRY-SANMLTNESA-N 483.613 0.713 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837046777 WJNBVWFRBKLNOL-HNNXBMFYSA-N 451.524 0.338 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1837394466 BHVVQCUTCUNNPI-AVRDEDQJSA-N 481.571 0.128 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1837489449 HGUPAUFQWDWZRC-FQEVSTJZSA-N 458.458 0.251 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1837528765 OPFIXQJLEIAHRB-LUKVOKQUSA-N 498.540 0.866 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837531608 QVBYXZVETUIOPT-COQMUBBDSA-N 475.546 0.747 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1837562755 GHNSMXLLGQZJCU-PLPMJULLSA-N 481.509 0.837 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837563212 LKTUQQZKUWQMQI-IGPUNGKJSA-N 459.503 0.312 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccncc2O)CCO3)c(C#N)c1 1837819312 HATIXUQKNLGPOE-DEOSSOPVSA-N 466.494 0.980 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)c1 1838581981 YPPKORVSXGSBNI-OAQYLSRUSA-N 461.544 0.654 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)c(C(F)(F)F)n1 1838635969 OPMLSQITLINEEP-HXUWFJFHSA-N 492.414 0.439 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1cccc(Br)c1)CCO2 1839054615 HLQGMQFWQWNRIA-ZWDAVXSWSA-N 495.370 0.977 30 20 JCED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(OC)cc4C#N)CCO3)C2)CC1 1839132235 AHKNFHJGKWONJO-QHCPKHFHSA-N 471.510 0.519 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1839174777 WISXOJDGKRLNTG-XXBNENTESA-N 460.531 0.437 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839175203 UNCMRFPLVKCVNC-ZZAWEDPDSA-N 450.536 0.424 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1839185086 MFFIOVTVLDVIKT-YTZAWJCFSA-N 494.589 0.581 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)ccc1F 1839187003 CSRNJVGIJXFZKW-NRFANRHFSA-N 472.433 0.641 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210445 PHXCGZSXZCDRAU-HRAATJIYSA-N 491.532 0.930 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840016559 JKOOBLHQGDQQBS-VWKIKIOWSA-N 467.522 0.391 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CCO2)C1 1840045839 DFVSRGOTLQRANB-YDIMBITNSA-N 479.574 0.881 30 20 JCED CC[C@@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110419 KVRRIEZZXZDMKI-MCFFVMPBSA-N 489.635 0.815 30 20 JCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1840147497 VMZSBNDNINRSRC-UYOJLFFASA-N 478.590 0.894 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840160515 JCKKNRMWNCBLDW-SIFCLUCFSA-N 461.581 0.301 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840176100 VVMFLCYRTUHBIG-AOMKIAJQSA-N 469.535 0.475 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)NC=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251722 VFPZPBTZKTWCMH-IEGUWTFLSA-N 480.562 0.143 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840289851 PEXPBBJIRXPONS-VFNWGFHPSA-N 450.492 0.283 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1840906459 BZDCMJZQKPSXPY-WZONZLPQSA-N 473.530 0.463 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1840906844 KOXIOSNNVCUHMF-SBUREZEXSA-N 475.546 0.407 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1840945314 MAAGZZARJDJFGJ-QFIPXVFZSA-N 465.522 0.815 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C1 1841230649 IZEHJUYEFSUXSK-GYYNYVBASA-N 496.630 0.710 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1CC(O)C1)C2 1844215188 DBVVOOQJHPWIAV-OFLPRAFFSA-N 480.562 0.766 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cc1 516428681 ZFRWUHVIFXZWQM-UHFFFAOYSA-N 491.614 0.588 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 523477960 UYCMWVNIEZQTHN-UHFFFAOYSA-N 458.540 0.170 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc1OC 524281900 GBPWGTOLSQATNG-UHFFFAOYSA-N 473.551 0.929 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(OC)nc1 608884684 QRJVWDPYXNTMCF-UHFFFAOYSA-N 481.490 0.476 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)ccc1SC 608910849 SOIUEXHCDCIYQK-UHFFFAOYSA-N 472.592 0.687 30 20 JCED N#CCN1CCC(Nc2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 609333781 OIKNHMTUTGEZRC-UHFFFAOYSA-N 452.537 0.605 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CC(=O)N(C)C 609416851 TVHATLDYKZANAO-UHFFFAOYSA-N 456.568 0.271 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 728534580 OVSZOHYBXQTTGN-LJQANCHMSA-N 466.629 0.289 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CCS(C)(=O)=O 729673257 VTHODIMHKKDGOF-UHFFFAOYSA-N 497.602 0.439 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC(C(=O)NCCO)CC2)CC1 749675723 XNWCHTMCNIPTDS-UHFFFAOYSA-N 456.503 0.275 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)ccc1F 916434739 WLZRHDXFHBXFFT-UHFFFAOYSA-N 452.508 0.197 30 20 JCED CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918253722 YGBWZCSIANSZPV-NCELDCMTSA-N 478.619 0.580 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccccc2I)c1=O 918729772 IZTIWRBWXOIZAL-UHFFFAOYSA-N 464.288 0.629 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)cc1 918910339 DJVHNSQRGVNESS-UHFFFAOYSA-N 488.566 0.583 30 20 JCED COC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1504578794 JWBIAEJEQVQDGC-SJLPKXTDSA-N 477.591 0.748 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1517627673 NEGCUPSVMPFJGW-UHFFFAOYSA-N 487.508 0.962 30 20 JCED CS(=O)(=O)[C@@H]1CSCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1533085567 XPBUPLTVWVBHSV-QGZVFWFLSA-N 457.599 0.905 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1547433183 WJODLLJFYWJNFK-YZGWKJHDSA-N 494.666 0.518 30 20 JCED C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)N1CCOCC1 1611601009 JRWUGUFQPKXZMK-GOSISDBHSA-N 483.573 0.920 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1618815438 MBCYUDJUEJJTKF-GOSISDBHSA-N 487.586 0.869 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1705689094 YDAHMTMPSOLZMR-OLZOCXBDSA-N 450.359 0.745 30 20 JCED Cc1nccnc1N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1707796823 SNOPMSUDCLYHBK-UHFFFAOYSA-N 467.559 0.791 30 20 JCED COc1ccc(F)cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1748844983 DKPALISRPAQYLE-FUHWJXTLSA-N 480.522 0.536 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2 1778099650 VYWXGRAWBGFTAK-BAOVWPAFSA-N 477.583 0.652 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)CN4CCN(C)CC4)C3)C2)N(C(=O)OC(C)(C)C)C1 1778264227 SMCOEQLORFZGJE-CPJSRVTESA-N 491.633 0.629 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778754529 HSFRHSRBAHZQMN-YCRNBWNJSA-N 485.647 0.745 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1)NC(=O)OC(C)(C)C 1778793882 UIMMSXTYVWTLLX-WLENULPWSA-N 498.577 0.740 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)ccc1Br 1779094248 ALMMNYASNKZQEP-TZIWHRDSSA-N 493.358 0.415 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1779139058 KQJFAVUGDHKBNN-IQTGRTGDSA-N 457.443 0.299 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1779362317 AWTZALVFZWUTFN-RNVZNFDCSA-N 492.602 0.437 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cn5[nH]cnc(=O)c5c4C)C3)C2)c1 1780019389 BLFVDCFDPSMLTR-DEOSSOPVSA-N 476.493 0.969 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1780317702 KAPJMUZNFLVELX-UZQCKINESA-N 456.499 0.560 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H](O)CN3)C2)N(C(=O)OC(C)(C)C)C1 1780603087 YJXDBYXZNICZEI-IFMYCSEXSA-N 492.617 0.789 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1781392140 ZTYWFDDPKSYEOS-IIBYNOLFSA-N 466.560 0.871 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2)c1ccc(O)cc1 1782257287 GOCWFFUVIWINME-YRWQMTPXSA-N 484.597 0.996 30 20 JCED O=C(CSc1nc[nH]n1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1782481166 JJTPHDKQJHSEIN-YMRNUVASSA-N 466.564 0.940 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782963065 VNROKDJJFDJZKT-IEGYKGNPSA-N 497.614 0.863 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783614574 ARDHRNICZMEXEQ-PRHHBONVSA-N 482.578 0.988 30 20 JCED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783836568 YHIKONIVOPCXFD-HRAATJIYSA-N 473.592 0.720 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783912042 FEDAXCHJBMTHJI-UUOWRZLLSA-N 493.605 0.962 30 20 JCED CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4cccc(C#N)c4)[C@H]3C2)CC1 1783913764 ZDBSENLGCQRTLH-VABKMULXSA-N 453.587 0.718 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1785577065 KIEQXONPUKSGGW-SBUREZEXSA-N 487.513 0.535 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)c2C1 1786367466 MZRFDGVTIOTIKP-ZOBUZTSGSA-N 473.534 0.536 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787481423 JFKUFVLEHVOAGD-VGWMRTNUSA-N 490.517 0.828 30 20 JCED Cn1c(=O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)nc2ccccc21 1787975248 DOJNLPWGJWLNOD-HLHOIMPCSA-N 480.569 0.999 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1788572856 OVYCQEIYAUUMMH-OJFNHCPVSA-N 452.577 0.342 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076415 CIUYQPLIKTXRSR-VGWMRTNUSA-N 485.484 0.699 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1792257866 OPGNPJXCDQXUIY-HAGHYFMRSA-N 478.590 0.215 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793431995 FXHYZPBZCVJEQO-LVEJAMMSSA-N 466.579 0.947 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795413069 KYQCHUNTCANAFZ-IVSAIRAKSA-N 464.519 0.336 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNCP(=O)(O)O)c(Cl)c1 1795521709 GTAVNQJJDXZPQG-FVCICTRLSA-N 456.823 0.140 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccn1 1795874729 OEVXXWWCMUSCSB-XSDDWTICSA-N 459.547 0.942 30 20 JCED C[C@@H]1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CN(C(=O)OCc2ccccc2)C1 1797240269 MKJONNMDTVVYQJ-WJEDCCAQSA-N 497.548 0.959 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CCC3)C4)CC2)CC1 1797279137 FAHKTMRRHHIZLW-IUTQVRIDSA-N 485.629 0.993 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1797714446 SLXXIDQYWHOLLX-SFNKJDCFSA-N 469.579 0.690 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797891823 FFNCIVXBCGHMQH-NECVAMPVSA-N 457.531 0.323 30 20 JCED Cn1nncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236701 YKEMOTZIHHEGEU-ALXJQNPVSA-N 487.561 0.559 30 20 JCED CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1799407729 HHYTYPDFASVSAE-QOIOWGMHSA-N 499.511 0.946 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1-c1ccc(Cl)cc1F)C2 1800778351 OFPKARYVACNJIT-NXCRSVRDSA-N 460.849 0.956 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)[C@H](C)S)C2 1800987035 CJTCVWYVURHNNB-SVZOTFJBSA-N 450.561 0.530 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800988935 BMEQXHHWDLTEHK-HAFSJTIUSA-N 459.565 0.351 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C(=O)N(C)C)c1 1801912659 QLHKCYKTUNURKC-ZQMKECSJSA-N 454.527 0.450 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1802148768 LVSFFSXLQOCDRP-DMUMMCEESA-N 485.541 0.530 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)/C=C\C(=O)NC2CC2)[C@H]1c1cccnc1 1802481341 HSABQQKOQQMOCU-ZBKAMSKXSA-N 451.527 0.781 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1808431770 IZDCIOGIJGQCJQ-MBSDFSHPSA-N 468.510 0.912 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809964338 YWRQWSXHKOYJOM-ZVHZXABRSA-N 454.535 0.734 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)C[C@H]1CO2 1812877979 QZULHSNIWDNCOE-DTOBJMFKSA-N 498.536 0.954 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2 1819856449 RXIJWYLKPYLYCX-ZBFHGGJFSA-N 479.559 0.832 30 20 JCED C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)n[nH]1 1821780905 QNLMYPNUHXXRSZ-NZBPQXDJSA-N 480.616 0.900 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)NC(=O)OCC)CC2 1822928048 PUOAGLLNQJYCCX-APPDUMDISA-N 454.505 0.629 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670452 IFUYCEXEGHFJLS-AAEUAGOBSA-N 466.516 0.419 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CN)CCN3C(=O)OCc2ccccc2)c1 1829049679 JGLUDKWBCJQVDU-CYFREDJKSA-N 479.541 0.238 30 20 JCED Cc1nccc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1829081844 HSXJHLKXPUIDGN-VWLOTQADSA-N 491.504 0.939 30 20 JCED CCC(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829286598 XLLNORDTSQIEQB-QHCPKHFHSA-N 455.467 0.506 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3(C#N)CC3)C2)C1)n1cnnn1 1829396759 RZDILPGWQWFNLN-UUOWRZLLSA-N 492.540 0.990 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(C)C)CC3)C2)C1 1829762399 JEVLTTXWQJBMCD-XLQQFJOYSA-N 462.591 0.422 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465500 JIQVMZNBABFWDS-VGSWGCGISA-N 498.001 0.476 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSC1CCCC1)CCO2 1831353594 DFOFVJPYNHJNKJ-KOIKXXGWSA-N 451.589 0.977 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)C2)C1 1831401744 DRRIJRCFEKTENH-IMWIBFENSA-N 477.558 0.398 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CNC(C)=O)CCO3)c(C#N)c1 1831694005 FVODSXBRYBVSBU-RUZDIDTESA-N 486.569 0.728 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1832004570 HEFTUQFTTPFTCJ-HXOBKFHXSA-N 480.562 0.628 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832487176 AHJGHOLSNZBNCW-JOCHJYFZSA-N 471.620 0.166 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3nsnc3NC)CC2)CC1 1833074244 BXUPUDBFYQTAOR-PLNGDYQASA-N 461.592 0.623 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833401613 VCZNBIBRPJBHSU-LJQANCHMSA-N 473.498 0.767 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1833468515 UEIXTSPEGFLIEP-HRAATJIYSA-N 465.547 0.091 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(=S)NC)C3)C2)c(O)n1 1833699971 JYHOBZNYNNTNHD-HSZRJFAPSA-N 491.614 0.460 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)c(C(F)(F)F)n1 1834676599 XPGPCMXFJOIJFS-UHFFFAOYSA-N 480.495 0.640 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C2)C1 1834756350 USECLHFYAGEMMZ-QHCPKHFHSA-N 469.473 0.414 30 20 JCED N#Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CN)CC3)CC2)c(C(F)(F)F)n1 1834941848 OWTNUJIWRBUHCQ-KRWDZBQOSA-N 467.496 0.443 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)c1ccc(F)cc1 1835345724 WXYFJXTZJZECFI-CVDCTZTESA-N 458.490 0.763 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835349556 JUJVMAKSSBLFMX-OAQYLSRUSA-N 466.510 0.706 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1[C@@H]3CCC[C@H]1c1ccccc1N3)CCO2 1835503719 JDSMJVLUGGFOGA-IGGQGXQVSA-N 467.522 0.909 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1O 1835680516 JUIVOQGIFXWQOQ-DEOSSOPVSA-N 487.557 0.702 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1835681000 RGSLLVYUULTBQE-GLDPYIMESA-N 475.590 0.126 30 20 JCED C=CCCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)C4=NNC(=O)C4)CC3)CC2)c(O)n1 1835698745 HYBHILKRLMUOMD-UHFFFAOYSA-N 468.558 0.967 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCc5cncnc5)CCO4)C3)c2c1 1836055587 ITVDMGUHUILSLF-XMMPIXPASA-N 475.509 0.927 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)c1ccco1 1836125520 XDAYUYVHYJZBHN-XMMPIXPASA-N 451.479 0.518 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1836526254 PYLGBFIPPYFUJV-CPJSRVTESA-N 484.553 0.809 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1836590605 ZXVILVODSAJSAV-GOTSBHOMSA-N 479.530 0.178 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1837399016 LKGFSBHKFABLBD-JPYJTQIMSA-N 457.531 0.681 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1837439659 ZSUVDMFHDDZHDW-DZHDYZGWSA-N 465.938 0.982 30 20 JCED COc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc1F 1837488456 HDLWLQCACXTZSH-XMMPIXPASA-N 475.517 0.998 30 20 JCED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n(C)n1 1837490629 JEWCFHPEUULXBK-DEOSSOPVSA-N 458.559 0.751 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)C1 1837526072 SKWMDYIMUGZVBQ-YYELAMOYSA-N 481.546 0.561 30 20 JCED CCn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cc1C 1837531761 WCZUEOUZJMQEEK-MBIGCVILSA-N 463.535 0.810 30 20 JCED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)cc(OC)c4)CCO3)C2)CC1 1838585023 UQLUEMCEPCCPJP-QFIPXVFZSA-N 457.483 0.590 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1838629379 QGOJGEURLRWLRQ-RTBURBONSA-N 493.557 0.301 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C)[nH]n2)CCO3)c(C#N)c1 1838662881 MGUGOWVRZJBNHO-HSZRJFAPSA-N 453.499 0.911 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839073891 YEDCLTHWCJVAAC-UNTPSSOGSA-N 498.577 0.885 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1839118261 XISUNFWTKYWYOK-MQHZAWOVSA-N 461.607 0.933 30 20 JCED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131960 KECLCPQBQMYFPQ-QHCPKHFHSA-N 459.499 0.519 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)cc1 1839362148 ZZAYMSCJOTWKLC-DEOSSOPVSA-N 450.495 0.685 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Cn4cncn4)C3)C2)c1 1839452775 VXUFEQZTBOXGJF-MBSDFSHPSA-N 452.515 0.865 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)cc2C1 1839622238 RYBRURZXGIZGLO-SFFGGSCWSA-N 487.605 0.260 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839692175 HBZYIXYLTOQXHK-NFBKMPQASA-N 462.616 0.794 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839692176 HBZYIXYLTOQXHK-NZQKXSOJSA-N 462.616 0.794 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)C2)C1 1840010878 KSLTXAFWTCKYLJ-XMMPIXPASA-N 491.541 0.178 30 20 JCED COc1ccc2c(/C=C/C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c[nH]c2c1 1840042758 NCXTXHRWFVGKMS-QBFZGYHOSA-N 467.478 0.734 30 20 JCED C[C@@H]1[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCN1C(=O)OC(C)(C)C 1840045028 MWVPLIMZAUVTDT-DGGJZMOXSA-N 479.530 0.176 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840171533 KERHPBOOBIUXGW-VGSWGCGISA-N 453.536 0.655 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840882786 NAQNXLJSSUXHQC-YADARESESA-N 493.557 0.313 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1840913107 YCLPZCKGMWHLKV-HJOCRKTISA-N 476.574 0.440 30 20 JCED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1)NC(=O)OC(C)(C)C 1842882333 ZMJQGPGDGMZMBW-HOTGVXAUSA-N 451.568 0.642 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843350498 XXNKBOMEZXDCQJ-OALUTQOASA-N 470.574 0.483 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)CN2CCNC2=N)C3)CC1 1845137129 KGPUQQJTWAZZME-UHFFFAOYSA-N 473.578 0.571 30 20 JCED Cc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3)c2)n(N)c1=O 11205988 FTOOFKSTKJHLHK-UHFFFAOYSA-N 465.561 0.642 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)CC2)cc1 31166325 WIODPONRCVHLHR-NRFANRHFSA-N 479.628 0.782 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(Cl)c1C 502059816 YVVZFLLYNRNVBJ-UHFFFAOYSA-N 457.943 0.860 30 20 JCED CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)S(=O)(=O)c1cccc(C#N)c1 603934799 YDQBVSHPSWHIRJ-UHFFFAOYSA-N 478.552 0.838 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CC(=O)N(C)C 604269768 AXURLEVOTXMKIR-UHFFFAOYSA-N 470.595 0.661 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3Br)n(CC(N)=O)c2=O)cn1 727160793 KYXZPVWXRQPPFG-UHFFFAOYSA-N 487.339 0.033 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 728532635 GDOMJRUZFKBMFD-NRFANRHFSA-N 474.583 0.326 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)CC1 728573544 QFXYIMBGSNGPPY-UHFFFAOYSA-N 451.365 0.653 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 729503773 YFFSDKUEULPJDS-CYBMUJFWSA-N 467.525 0.982 30 20 JCED CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 821727793 LSBBRGHYWMQFMF-UHFFFAOYSA-N 485.927 0.964 30 20 JCED C=CCn1c(-c2ccncc2)nn(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1=S 915208613 OCSFIZGJKUGVPN-UHFFFAOYSA-N 478.648 0.729 30 20 JCED Cn1cc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(C)c1=O 916949173 KNPYVNKIOOBUSB-VJIACCKLSA-N 499.549 0.619 30 20 JCED N#C[C@@H](C(=O)Cn1nnc2ccccc2c1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917011734 RXNFSDNVPSGZHH-SFHVURJKSA-N 461.438 0.757 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C(C)(C)C)c3)c2=O)CC1 920398430 YVGSZVRIHHCOOV-UHFFFAOYSA-N 484.626 0.490 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1503406955 RFNXKZCUQABMSU-QZTJIDSGSA-N 457.560 0.956 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1503462532 TZTMLKJDEZSQSM-IBGZPJMESA-N 470.559 0.901 30 20 JCED Cc1ncc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)s1 1693380673 VYAYJYLTIUKWCG-DOMZBBRYSA-N 450.594 0.878 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CC(=O)NCC(F)F)cc1 1698489659 ZADZEVIWCKJEGT-AWEZNQCLSA-N 461.429 0.751 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1706651980 XIPKVZGXFOIQTN-HSZRJFAPSA-N 453.547 0.615 30 20 JCED C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1708262809 JKFBIJQEAOWOMD-KRWDZBQOSA-N 459.576 0.619 30 20 JCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1729719122 ZKJDKWJZZJOSDX-UHFFFAOYSA-N 489.602 0.830 30 20 JCED Cc1n[nH]cc1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1761607839 WMWFIBCTZKFALZ-QAPCUYQASA-N 461.596 0.729 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1766568028 PNLBFEOVQANQKC-VWLOTQADSA-N 480.617 0.874 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2C1 1778376315 JGZHQPZZFSLFJN-QHCPKHFHSA-N 487.513 0.165 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778959894 QLXYANDZZVJCSH-DGGJZMOXSA-N 479.578 0.441 30 20 JCED CCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778980692 XWKCKUFHHVEEBL-KSFYIVLOSA-N 483.587 0.941 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1779180304 OJFKWAIMGJADBZ-CHBSDABRSA-N 483.550 0.925 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1781271477 SZUPBKCAXPTCGT-QHCPKHFHSA-N 459.547 0.672 30 20 JCED Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)n(-c2cccc(=O)n2C)n1 1782010786 XCESNXBMFKEEMY-HOYKHHGWSA-N 481.509 0.095 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)C1 1782256268 UIJPHWYLOVPCBP-NPFVIJTESA-N 450.536 0.786 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C1)C2 1782853178 QUMCIVPLPIBRMC-OSPHWJPCSA-N 480.525 0.966 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccnc3OC)C[C@@H]21 1783529563 QSGKKXACMIIINM-KDHUBKHVSA-N 456.543 0.861 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)c1ccc(O)cc1 1784013236 HBKOXQLFBNPCGP-NBGIEHNGSA-N 464.522 0.976 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1784197227 BINPCYGANSTEOG-JVJLKXRTSA-N 477.558 0.583 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784580994 WOUCCNMIQBOVAA-JCECYMMASA-N 480.562 0.934 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3Cc4ccccc4CN3C)[C@H]2C1 1785020705 LXEJEVXHRCACPK-DHQPLJIJSA-N 466.582 0.881 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCS(=O)(=O)CC4)[C@H]3C2)c1 1785036442 KMDVCKLFMYFHFK-MQGJPIDWSA-N 488.610 0.637 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(C)=O)[nH]n3)CCO2)C1 1785572505 LYPNDFXOTVNKCM-HJPURHCSSA-N 473.530 0.972 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1785577167 KVIDDDROKXTWMH-FDDCHVKYSA-N 458.515 0.680 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=N)N)[C@H]3C2)c(C(F)(F)F)n1 1786805298 MLVUITTYSDGESD-BPNCWPANSA-N 453.425 0.048 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCCNC5=O)[C@H]3C2)c1 1788256366 PUMJSXQSIMOBDG-DOXZYTNZSA-N 451.487 0.123 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)c4cc(C)on4)[C@H]3C2)c1 1788670332 ODEZHJGYRRDKFD-LRQRDZAKSA-N 481.509 0.887 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]2C1 1791143117 UPJFADKEDLISAY-FHWLQOOXSA-N 478.533 0.874 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C[C@@H]21 1791274568 OWALOLYOPCQYDH-FJIDUMEYSA-N 480.610 0.699 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1792255325 HOTNOUVLFMFKKU-VMXHOPILSA-N 499.630 0.563 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C(C)(C)C#N)C2 1792636067 DNBZEBFUNMMASO-XLMAVXFVSA-N 457.531 0.762 30 20 JCED CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1796447094 QBIPNCJNZSCJNS-RVQZLYQJSA-N 472.611 0.857 30 20 JCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1 1799056209 HXEXZXOAPROPOF-DBHNTLKXSA-N 453.547 0.771 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799195593 DMMMSWNHCBLCBO-KMOPNRPKSA-N 469.604 0.723 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccccc1-n1nccn1 1799671071 OQVJTUIEIWRHOE-QNMRCBFUSA-N 451.531 0.942 30 20 JCED CSCC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)NC(=O)OC(C)(C)C 1800776136 UBIUFLDORQOPHD-QOIOWGMHSA-N 483.587 0.701 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1801967133 OBUNMSAZCZPYJT-CUSZFKRNSA-N 456.609 0.447 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1801989014 WGPXUFQWDVQAJO-QDMKHBRRSA-N 483.506 0.004 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1802114715 QTEBCMILNFBIHT-ABCGKDBCSA-N 472.542 0.924 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2 1802138467 HMRLGJAYVBHCAV-PZPPHJHLSA-N 485.603 0.480 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1804195544 YMQLFCOVXLSQIG-CBWPXHNPSA-N 487.582 0.530 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806084017 SFESFMSOXSROEP-PZMWHVSESA-N 478.557 0.813 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1807145265 INTNGPLWROZTCS-YJBOKZPZSA-N 453.503 0.884 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)Cc2cn3c(nc2=O)SCC3)[C@@H]1c1cccnc1 1807368961 WQCXVHUIUIBSRU-QRWLVFNGSA-N 467.507 0.081 30 20 JCED O=C(O)C#CC(=O)N1CCC2(CCCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)CC1 1810303324 VVQIFJOVDSEGEN-UHFFFAOYSA-N 480.525 0.499 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1 1811534892 UIJXTSLHJVTCNJ-LSBZLQRGSA-N 458.544 0.929 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC1 1823748708 YWARKDCQSDDZRZ-JUJZYJCFSA-N 477.558 0.959 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1825755584 QXCNEMSOPLHFCL-UZRORNOBSA-N 492.554 0.904 30 20 JCED C=CC[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829051030 WPPHNXZUSAFPSF-VAXXYWNWSA-N 457.575 0.937 30 20 JCED NC[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1829051142 XFPNKPLKYUVKIJ-PJEYITNJSA-N 499.616 0.196 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829635600 MEZCDJKZXZJEMZ-HSZRJFAPSA-N 473.599 0.431 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)CC2=O)c1 1829638257 WGNBGJYUSXORRR-MHECFPHRSA-N 470.526 0.808 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncccc3C)C2)C1 1829764908 YXHJEVVAQDUTGY-FFYIOULGSA-N 456.543 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Cl)ccc4c3OCO4)C2)C1 1829766126 NBXMXBXVHHFULO-IYZQMXKPSA-N 491.928 0.997 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(O)cn4)C3)C2)cc1 1829907825 RFYLNKAVBWDFQU-DEOSSOPVSA-N 450.495 0.900 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830051030 UIFCINBDFKANSD-QHCPKHFHSA-N 482.578 0.924 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCOC)CCO2)C1 1830490635 URLQFJBUZRUZFY-JPYJTQIMSA-N 467.563 0.786 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1830635403 YTCYDYXPMNDQKG-LAUBAEHRSA-N 457.593 0.539 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO3)C1 1830881814 KVBXANDEKVAZCD-MBSDFSHPSA-N 467.563 0.685 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831318245 FZAGOZCCPRNHIG-MBSDFSHPSA-N 492.598 0.275 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1831392187 BZAYZTGQWPVZMV-HOYKHHGWSA-N 468.510 0.274 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Br)c(CC)nn3C)C2)C1 1831393027 JEKVHUDIGBJSPW-VFNWGFHPSA-N 497.390 0.853 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1831435214 NEYXUKYEHIPKJA-FDDCHVKYSA-N 455.515 0.928 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832043799 COHICWCWNDAQNC-PMAPCBKXSA-N 465.547 0.491 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832205693 NZIYJTSJCDOICL-CVDCTZTESA-N 457.531 0.461 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)CN4C(=O)CNC4=O)CC3)CC2)c1 1833678000 PHLZLSJMIKWMAF-UHFFFAOYSA-N 452.515 0.295 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](CC)NC(N)=O)C3)C2)c(O)n1 1833699221 VYAOWRXDYLZYIN-FDDCHVKYSA-N 475.546 0.423 30 20 JCED C=CCCc1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)c(O)n1 1834026938 CTFQPYAWYZPEMX-UNMCSNQZSA-N 471.602 0.814 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834607700 KVRGBCOGXFHILG-SFHVURJKSA-N 478.594 0.630 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCC)CCO2)C1 1834990503 NBLJXTAUHWSNJF-VGOFRKELSA-N 453.536 0.396 30 20 JCED NC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccccc1 1835816368 JCTBIHWPVSMUCQ-BKMJKUGQSA-N 469.582 0.884 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2)C(=O)O 1836321867 NTOHRQBTPCTZKA-MGPUTAFESA-N 499.446 0.105 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1)c1cccs1 1836520581 MSSUCONUSVJVEO-SHTLVRLNSA-N 459.528 0.625 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836764123 CDDIRAHPJQOUEZ-XUZZJYLKSA-N 462.591 0.375 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)ccc1F 1837254512 HJFGFDBBROBIPB-XLQQFJOYSA-N 470.501 0.531 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@@H](C(=O)OC)C3)C2)C1 1837403672 XPQKPZMSLAWSNA-FVJVTNMWSA-N 466.575 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(C)cc(C(N)=O)cc1C)CCO2 1837432746 MZNGLMZVONRFIF-ASYDGFSTSA-N 484.553 0.331 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1837443355 GYZDLUONMXIQHL-HPTBBYBNSA-N 458.515 0.957 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837497415 UVXXDAUJBCRNEE-ZBLYBZFDSA-N 497.592 0.960 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)NC(=O)OC(C)(C)C 1839080842 MBDWNYHCZNZXDM-RAZUEPIFSA-N 496.605 0.025 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c(C#N)c1 1839132194 YLPDVAAWYCNDJK-OAQYLSRUSA-N 461.544 0.192 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)c(C#N)c1 1839132580 JEKKDRQPPVMMGA-RUZDIDTESA-N 495.536 0.859 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1839222970 GWYFLFPVBMALIS-AVRDEDQJSA-N 452.552 0.646 30 20 JCED Cc1cc(O)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1Br 1839419092 MGCZDRIKEYYQCR-HXUWFJFHSA-N 481.299 0.621 30 20 JCED CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840044864 CJINUYDIPKHXGS-DEOSSOPVSA-N 471.510 0.829 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1840107998 BFSIHWMYMBBSLQ-XLNZFTOWSA-N 496.605 0.827 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840163993 VQYQFVPHQMJZOT-HXOBKFHXSA-N 479.599 0.866 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)cc1 1840227621 WKMIUQFIVHKLIX-HYBUGGRVSA-N 454.527 0.473 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251458 FREWQGJPXZMVJQ-MBSDFSHPSA-N 490.561 0.300 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C2)C1 1840839979 PWUSNDNJVDFYSG-RUZDIDTESA-N 454.571 0.922 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1840908160 BTIXKPZIBYJBLU-KYCQWFEFSA-N 493.601 0.911 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1)c1ccc(O)cc1 1840921987 CIPJJIYAURAYDT-JPYJTQIMSA-N 458.515 0.014 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)C3)CC1 1843973440 VIQLRKAQMKHBEY-UHFFFAOYSA-N 478.475 0.953 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 501763823 TXDCSFLUJLNAPM-UHFFFAOYSA-N 486.506 0.133 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C(=O)CCc3ccc(OC)cc3)CC2)C1=O 512425295 YRSUETFENZIRBW-UHFFFAOYSA-N 456.499 0.666 30 20 JCED Cc1c(C#N)c(NC(=O)CCN2CCN(C(=O)C(=O)N3CCOCC3)CC2)n(Cc2ccco2)c1C 514918249 YOUIVKHTIQLZRC-UHFFFAOYSA-N 496.568 0.950 30 20 JCED CCOc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CCN(C)CC2)c1=O 516372366 CHRLQXXMYWTNGB-UHFFFAOYSA-N 482.606 0.937 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2CCc2cccnc2)CC1 524337387 IEIGGFQTTRMMCS-UHFFFAOYSA-N 480.619 0.671 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCNS(C)(=O)=O 608912885 HVWXNHDWQKIREV-UHFFFAOYSA-N 464.525 0.095 30 20 JCED C=CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 619530504 WMRMOJDHRJKUDE-KRWDZBQOSA-N 472.608 0.672 30 20 JCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCS(C)(=O)=O)c1=O 729671234 KTUHFYSKOBBNOT-UHFFFAOYSA-N 496.010 0.742 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCS(C)(=O)=O 729672853 LTVUPUXKTMNMAV-UHFFFAOYSA-N 475.592 0.165 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCS(C)(=O)=O 729673272 WLZSSWOMXOIQJJ-UHFFFAOYSA-N 489.619 0.696 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCS(C)(=O)=O 729673301 XVDOHAOXQBEHSK-UHFFFAOYSA-N 495.598 0.448 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NCc2cccc(C#N)c2)c1 746554553 HANWTQUQZJMJFO-UHFFFAOYSA-N 460.512 0.610 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CCOC 916198202 FRZUMXANGBXYLD-UHFFFAOYSA-N 466.357 0.584 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 918787186 LIDAMFXSSVGLNP-INIZCTEOSA-N 467.544 0.810 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 920466200 FPDVPSJEISFKQS-HNNXBMFYSA-N 472.523 0.556 30 20 JCED COCCn1cc(N2C[C@@H](C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2=O)cn1 1156592249 RFOBKOXTOSDDEN-AZUAARDMSA-N 450.499 0.671 30 20 JCED CN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)Cc1ccccc1 1314864014 KBEBRMMUXDRMAY-PMACEKPBSA-N 489.602 0.472 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1315744928 UDEQUTHIYSLABN-SFHVURJKSA-N 487.586 0.393 30 20 JCED CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1517628009 QATPHHZEJVOLMT-FQEVSTJZSA-N 473.603 0.915 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1541991175 VEBKVDPYGWKXDW-IIBYNOLFSA-N 481.623 0.903 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1554504153 VTLNTMVOJAMJCK-UHFFFAOYSA-N 486.602 0.110 30 20 JCED Cc1cnn(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c1 1612343066 JHXJXWBDTQTBKJ-MAUKXSAKSA-N 452.516 0.258 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C2CC2)c1 1617706279 RJUJXVMNZJZUKZ-QGZVFWFLSA-N 473.559 0.450 30 20 JCED C[C@H](CN1CCOCC1)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1692736727 NMVFAPPCHLQRLB-IAGOWNOFSA-N 459.576 0.967 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1747607502 OFSPYNDGAJPGMT-ZWKOTPCHSA-N 473.559 0.570 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1750210512 TXDDNKSKURFDQB-KRWDZBQOSA-N 493.615 0.180 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCO1 1751230895 YTTMSSPYXHWULK-WBVHZDCISA-N 460.564 0.661 30 20 JCED CCSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778980693 XWKCKUFHHVEEBL-OPAMFIHVSA-N 483.587 0.941 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779015530 YQVZKCBBDBJACZ-GUUZLSKKSA-N 493.605 0.924 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1779067940 GKZNTVFXWVJORJ-ZJSXRUAMSA-N 471.510 0.816 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NNC(=O)C3)C2)c(C#N)c1 1779310013 ALAJMVVDTKMWOC-AUSIDOKSSA-N 453.499 0.499 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2cnccn2)C1 1779473527 UEUDWXGXYCGFSV-RGZWJVDOSA-N 487.557 0.618 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1781061948 CCIOOZAESGNXKE-PBFVBANWSA-N 455.577 0.913 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)[C@H]2SC(=N)NC2=O)CCO3)c(C#N)c1 1781172397 OMLDOOZFTMDKBD-FOZYCNAUSA-N 485.566 0.742 30 20 JCED Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)c(=O)nc1O 1781968352 HUJZCJMHWPGFDQ-QFIPXVFZSA-N 455.446 0.412 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cc1ccccc1C(N)=O)NC(=O)OC(C)(C)C)CCO2 1783048816 KMGCOSUBATXJJR-CLOONOSVSA-N 484.553 0.684 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C[C@@H]21 1783530588 JBDXRQKIHCKGPG-WAIQQQGYSA-N 470.574 0.170 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1783600664 LULWJHISDVYLFY-NYHFZMIOSA-N 466.535 0.822 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783601710 CTNICMVLRVLNMW-XVTZWQNCSA-N 497.589 0.846 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784042119 AIHFJZLAFOQXTD-DGGJZMOXSA-N 462.547 0.259 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[C@H]2C1 1784593417 QESPOUUTGXSYCS-ATIWLJMLSA-N 466.579 0.947 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1785576916 QVULOXOHJJWPLO-QMHKHESXSA-N 489.529 0.308 30 20 JCED CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)c1 1785587214 GBCHUVXOOVUHOP-JBCHLGLVSA-N 494.570 0.607 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1786675939 PDLHTWKQIAZSDR-OMZCGLGVSA-N 490.601 0.942 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787435692 NFZPNPPHRSBGTM-MPTYRVRUSA-N 491.545 0.951 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)c1 1789259562 WWQQSYOSAPYQEH-SNRMKQJTSA-N 452.467 0.085 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C[C@@H]21 1791260177 JJENUWNECZYFHA-XSLAGTTESA-N 489.635 0.842 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)C2 1793346427 QQXFCMBPZAWRJM-JNNRSPCRSA-N 461.471 0.854 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]1NC(=O)OCc1ccccc1 1799092220 MZXVJPJUVFNFRP-UFWNDYSESA-N 483.521 0.759 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1799321936 SHQKOINHUJZWNU-RCJHGTSTSA-N 491.593 0.769 30 20 JCED Cn1c(=O)c2c(CC(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC3CC3)C4)csc2n(C)c1=O 1799829923 CFTMWUVOGUSFBO-BJWYYQGGSA-N 454.552 0.893 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3CC3)C4)=NO2)C1 1800709671 AICVULCCKHWLQT-XEMDLRDOSA-N 472.542 0.755 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1800788534 TUOBEAPHUDUQCP-DCHBRCABSA-N 462.547 0.639 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1800824213 ZDYRRXZLHTWCQZ-AWJHCHFGSA-N 499.564 0.386 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801069911 OQJJPQIKHHHIPW-UNJWAJPSSA-N 490.601 0.799 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802079417 IIJIHBGDYZGGSE-DOZWIBKZSA-N 460.483 0.916 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN(C)C(C)=O)C2 1802124711 HVJSJPNFQIETMX-DMUMMCEESA-N 464.563 0.361 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)CC)C2 1804370542 PAWJJQUPJXUIFM-YVSFHVDLSA-N 455.577 0.976 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1809595500 IBVXVDLQRYZCAP-PMRREWKHSA-N 454.575 0.193 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1814063115 ZVONCJCIARSPOO-YYDVJCTNSA-N 464.526 0.631 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1828029798 FABNNGCMAJINGC-VFNWGFHPSA-N 471.539 0.656 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828583617 NHYWKLZASSQZOJ-DFBJGRDBSA-N 481.505 0.565 30 20 JCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1)n1cnnn1 1828927606 XVOPJSCHYNSULU-JPYJTQIMSA-N 480.529 0.990 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1829263019 DCGSJBWNJXCUAN-WZONZLPQSA-N 455.515 0.519 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)cc1 1829628230 MWKFMGCNRAOHQN-HSZRJFAPSA-N 451.483 0.757 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(cnn4C)c3)C2)C1 1829766292 QBNIJVKWOSVZFR-WNWNSBFKSA-N 467.526 0.502 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NO[C@H](c4ccccc4)C3)C2)C1 1829770425 OYFDGHSTGKWJCH-FURZLZPVSA-N 482.537 0.819 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C1 1829776419 APUYPRQSCVCUJU-DYESRHJHSA-N 459.609 0.763 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1831207932 AYRZGQYNLRBBNE-VWLOTQADSA-N 465.506 0.543 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1831397482 ZFULTPWEKDJZPM-GAJHUEQPSA-N 453.499 0.580 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1831412277 JEPWQOBUSNLZIU-DVECYGJZSA-N 499.605 0.701 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831485333 BIDYAUODWNDBJR-OFNKIYASSA-N 478.615 0.943 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1831495788 MTROWTFMFZHVLR-JXFKEZNVSA-N 451.524 0.893 30 20 JCED Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831812309 YTBWULZXCGLABX-BPRFCRFOSA-N 463.535 0.636 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833028871 WMEDZSPZFZDHDF-SPLOXXLWSA-N 482.484 0.661 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)OC(=O)OCC)CC2)CC1 1833077352 UORVJYIEFNUDFT-TUYSUELWSA-N 464.563 0.978 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCO3)c1 1833389933 WIVQSESXYTYRQJ-DEOSSOPVSA-N 481.509 0.651 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](S)C(C)C)CC3)CC2)CC1 1833491392 KWGDLPFQGMKTJG-JOCHJYFZSA-N 467.680 0.677 30 20 JCED CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835055950 DYZTZLAJRNASKK-YSDSBRIZSA-N 466.583 0.534 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)CCO2 1835278602 PHXRXDOVWDVCRI-FQEVSTJZSA-N 470.400 0.672 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 1835455252 YSFVBANEHOMDIF-UHFFFAOYSA-N 464.563 0.910 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)c4cc5n(n4)CCCNC5=O)CC3)CC2)c1 1835515977 YZHSSMVOIYMKMC-UHFFFAOYSA-N 478.557 0.715 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN)CCO2)C1 1835551856 YZQBTIWVBXLUJE-HTAPYJJXSA-N 452.552 0.098 30 20 JCED CC[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)N(CC)CC 1835674697 FCAOEQGYOJPLGH-WMZHIEFXSA-N 451.612 0.845 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1835675146 JQKLHGZKKRFUEK-DEOSSOPVSA-N 489.642 0.844 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1835677190 AQKNRYZMPYDSND-DGQXCUQSSA-N 487.557 0.190 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1835713981 GHMVKLDJCKQKOI-LJQANCHMSA-N 460.575 0.446 30 20 JCED NC(=O)c1ncccc1C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767359 SCJBWIGJIQVLDH-BOOTZKDASA-N 486.573 0.895 30 20 JCED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1835989120 KGZRWQHKOFXXDQ-XMMPIXPASA-N 458.559 0.508 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)CCO2 1836727786 UIIYHFPEEMLIQB-PUZWTLIVSA-N 497.564 0.830 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CC(=O)N3)CCO2 1836784476 JGGXTTMZTQZPSA-VRWDYKOXSA-N 468.510 0.110 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1836857698 WFAPOANIMHEDQP-INIZCTEOSA-N 457.531 0.277 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCO4)CCO3)cc1 1836966773 JSCJHRXYWMFNNZ-DEOSSOPVSA-N 465.510 0.850 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837464539 HHLUHWUUOLEEPE-FNEOHHHZSA-N 480.612 0.427 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837530875 SFLMMEXRICESIX-USAIXGAZSA-N 490.492 0.467 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837563690 UQGYLVMRQBHKQL-JBMWNJKUSA-N 452.471 0.511 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c1 1837949477 OBGDEAMFHNFQIH-QFIPXVFZSA-N 451.439 0.430 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccn(C)n4)C3)C2)c1 1838581636 DUHWSVDWRSGAEE-HSZRJFAPSA-N 453.499 0.613 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2)C(=O)O 1838595796 BYLQMCVMZQXXFZ-IERDGZPVSA-N 464.906 0.344 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839082364 JORWFMBTHULCST-SPPMEWKGSA-N 492.573 0.373 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1839175701 ZMJFXENZHRIROZ-XMMPIXPASA-N 463.575 0.971 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)ccc1F 1839187446 DALYQCLDHVPLNK-QFIPXVFZSA-N 458.446 0.490 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191395 GQZMDACZHJMJEN-PUZWTLIVSA-N 497.589 0.718 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1839223839 JLQJGCKWPFSBLV-DVECYGJZSA-N 489.573 0.789 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839573653 TUIGJDZJGNFMMU-HOYKHHGWSA-N 457.527 0.824 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)CO2)C1 1840008216 CBNSJHXWXDLVLR-MHECFPHRSA-N 492.573 0.773 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(C(F)(F)F)c1 1840044518 KXVTWFISBRAKRK-FQEVSTJZSA-N 470.400 0.872 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840142831 ZQXKOESONPXBOC-CKLGFQRSSA-N 493.557 0.727 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1)NC(=O)OC(C)(C)C 1840795444 IRXXGWOPYOQLQE-GAJHUEQPSA-N 482.578 0.568 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1840909360 YJZXPVQOIDYDGT-HOYKHHGWSA-N 479.574 0.665 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1840909616 XZFFEOTWRAEROF-NYHFZMIOSA-N 493.586 0.712 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840914036 VNWRBARVNKCJPY-UZFJHSOTSA-N 477.514 0.000 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC2(CCCN2C(=O)C(O)O)C1)Cc1cccc(C#N)c1 1841234518 MICYPMUMCOZKBL-GOSISDBHSA-N 472.542 0.898 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843009269 CMGALOWETMEPRZ-MRXNPFEDSA-N 497.556 0.931 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)N1CCCC13CN(C(=O)C#CC(=O)O)C3)=NO2 1846122741 OYNNFEVOLRVLQV-UHFFFAOYSA-N 474.514 0.824 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)NC[C@@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)cc1 502056554 WPNKRVYEGQKSLE-IBGZPJMESA-N 479.562 0.829 30 20 JCED CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)CC2)CC1 514372061 YDNIJWLQXYZRHF-UHFFFAOYSA-N 480.616 0.267 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CCN(C)CC1 518712556 GQNKNEGFWVBNSM-INIZCTEOSA-N 482.606 0.766 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 603796024 IHEFZDQTMDMLJQ-UHFFFAOYSA-N 476.549 0.795 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3OC)c2=O)cn1 608884579 NQBGMIMNFHFZHP-UHFFFAOYSA-N 478.530 0.673 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O 608911148 MWDZXUXTMYLUOY-UHFFFAOYSA-N 465.304 0.078 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)cc1 725920123 WRLJUXNRKGVGIL-UHFFFAOYSA-N 453.498 0.594 30 20 JCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCN(C)S(C)(=O)=O)C1=O 726399361 CTKDCVSONGZPHO-AWEZNQCLSA-N 455.562 0.135 30 20 JCED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 727008037 JSKCKJATUCGIQN-CYBMUJFWSA-N 456.480 0.456 30 20 JCED COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 779355158 CNADFJGSNFLHEQ-DZGCQCFKSA-N 468.532 0.544 30 20 JCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 844254415 QCSGSYZDZASKIH-UHFFFAOYSA-N 454.487 0.058 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 906198411 BQPBOVIODBVZSL-UHFFFAOYSA-N 464.525 0.385 30 20 JCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1=O 914830156 AIKMTVSZEWLDKK-AVYPCKFXSA-N 456.565 0.724 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(N2CCOCC2)c1 1288872633 YGXLZCFOMMBYLJ-APWZRJJASA-N 475.575 0.502 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(F)c2)C1 1302484597 PJMHXVGEAJMQCP-IRXDYDNUSA-N 450.496 0.527 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cc(F)cc(F)c2)C1 1519564152 RBPMEMPPPBQXNL-ZWKOTPCHSA-N 482.513 0.861 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1548327541 JIJMIMRRCTYKBH-LPHOPBHVSA-N 472.637 0.982 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 1554356606 PUPYSRJUZZKOTC-XXBNENTESA-N 487.630 0.991 30 20 JCED CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1555813222 QHOIANGOAJVUGQ-UHFFFAOYSA-N 460.560 0.876 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1710295863 OOPKQBDKEOMMKB-WAOWUJCRSA-N 467.615 0.896 30 20 JCED Cc1c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)cnn1C 1724133513 QGORQEZFHFFOHQ-SFHVURJKSA-N 462.580 0.831 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CSCCS2)C1 1731014815 NJLHMFOBTGLCBD-ZQIUZPCESA-N 476.625 0.902 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC2)CC1 1751278300 DERCMEOFUVBDRO-KRWDZBQOSA-N 451.597 0.837 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)ccc21 1777866083 LVXWIQFNQOMSFR-XMMPIXPASA-N 468.558 0.602 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)c2C1 1778369139 QLMRQTAOWLMKIU-QHCPKHFHSA-N 485.545 0.776 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779102046 SMUGFUPXSSQMHV-QDLBXXMRSA-N 477.474 0.971 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)NCc1ccco1 1779103521 WLCZSUVNPWCLPR-BBQUQSJCSA-N 474.514 0.811 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781380902 VNANHKXQWITDJR-JOCHJYFZSA-N 453.536 0.206 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCNC(C)=O)C1 1781797424 HBJXMKCJIDQEFS-XLNZFTOWSA-N 478.590 0.943 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)cc(C(F)(F)F)c1 1782036482 YFHIYJVMIIMXIG-OAQYLSRUSA-N 476.411 0.946 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)C(=O)Nc5cccnc5)CCO4)C3)c2c1 1782195479 VXFANPKIMVBPSR-QHCPKHFHSA-N 459.466 0.912 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783583518 OPJPANINRJOSJR-DFQYRXGOSA-N 474.558 0.879 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)CN5CCCCC5=O)C4)C3)c2c1 1783761559 ZUFIKNIEQFISJR-HSZRJFAPSA-N 450.499 0.891 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1783765875 BRJNBOLEGIVUSG-XCGNWRKASA-N 468.551 0.348 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1784014365 YNEIBLJIXOJHNY-KGFBWQSRSA-N 493.605 0.660 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784580758 HYFGTFLXCGXOKJ-VMXHOPILSA-N 492.573 0.771 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1785576482 DMJSRXXEHMCMNC-QKKBWIMNSA-N 476.490 0.678 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1785624791 VKUIYGUNARMBHL-HOYKHHGWSA-N 491.589 0.572 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786731052 YAQRIUFXIHWTKH-UFYCRDLUSA-N 450.580 0.113 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1 1786897719 PXRAJGPXGHMDCY-FKSLSLAPSA-N 496.605 0.888 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)NCC)[C@H]2C1 1788569407 YGXZXRLZOYXEPG-VMXHOPILSA-N 493.605 0.590 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C[C@@H]32)c1 1789344804 FWYDDTOAGBAIDF-ZVZYQTTQSA-N 468.539 0.385 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C[C@@H]21 1789890271 JXBMKCXUMCWASL-OKYOBFRVSA-N 496.605 0.718 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1792258424 CUGSNDCZMMOOLG-STFUBORGSA-N 495.573 0.499 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261698 NQICOQGEWKXPNU-RPRDNOHOSA-N 473.570 0.748 30 20 JCED C=C(Br)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795528140 LHPBVJAOQYKULJ-FQLMCAECSA-N 475.384 0.727 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1796295345 VVDWLXRNNVROEH-SHJAMOMRSA-N 499.568 0.725 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ncccc2n1 1797043519 GPRHYANZDLZIBM-CLWJZODNSA-N 482.541 0.849 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)C#N)C4)CC2)CC1 1797280867 MERNZEHVJXVUFD-VTYHHJSWSA-N 473.618 0.849 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)C1 1799197386 YTXKWXWVGUFQRL-NNXHMXCWSA-N 450.536 0.354 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2)NC(=O)OC(C)(C)C 1801932027 ITACLOBEIKWYIP-AXVVYFOYSA-N 497.662 0.920 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1803549821 GEYSAYXVRPIBNX-HGKSCXNLSA-N 460.531 0.969 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808737287 ZVXWFSMQVYPBGT-CSODHUTKSA-N 474.514 0.451 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C3(C#N)CCC3)[C@@H]2c2cccnc2)CC1 1814052486 XBZVKGUEBYDEQZ-IRLDBZIGSA-N 452.559 0.945 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1814060552 SPNZWGQXDDUYRX-JPYJTQIMSA-N 476.493 0.590 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[nH]n1 1814437026 BNINVQNOFYXPNY-WLMCBFPDSA-N 487.542 0.726 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817363759 XTJNQWSGUAMTQZ-ZOBUZTSGSA-N 489.577 0.911 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822622425 PTRKKUDVSPBZMU-CLWVCHIJSA-N 477.587 0.695 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nccnc2C(N)=O)CC1 1823747806 KOIDUPKPFXEOJY-TUYSUELWSA-N 454.531 0.667 30 20 JCED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)CC2 1825024701 RDUZYECLJHWDOG-NSHDSACASA-N 482.526 0.828 30 20 JCED CC(C)[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828558654 FDYIAASAGJEHKV-ZJSXRUAMSA-N 471.510 0.543 30 20 JCED C=CCSCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828629314 VSYLFPXHFYZVCH-CVDCTZTESA-N 475.615 0.644 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCN2C(=O)OCc1ccccc1 1828880913 SUJSYDIKWFAZML-RUZDIDTESA-N 483.521 0.953 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1829228386 SOJFUBPNSUCOQM-DEOSSOPVSA-N 489.525 0.259 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1829460977 DGPZXVWYQCQCSW-NBGIEHNGSA-N 483.569 0.445 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCSCC4)CCO3)C2)c1 1829714888 IFZKCUYQVVYIJG-QHCPKHFHSA-N 458.584 0.986 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cc1 1830218665 YXGPVDKQZAKYJM-XGULTSQNSA-N 471.510 0.897 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c(O)n1 1831014275 GUDLYNBVORYHCX-HSZRJFAPSA-N 474.514 0.428 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1831413167 OXXTVEXOVKBLBY-QFIPXVFZSA-N 455.552 0.950 30 20 JCED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)c1=O 1831885109 KHNLOUIACAALJQ-YQTDCCHMSA-N 471.535 0.956 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1833434514 XYNCPKAIFPDOAN-CSOJOJLQSA-N 457.487 0.657 30 20 JCED CCc1c(Br)c(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)nn1C 1834758612 QGCMDGOKIAJQKN-SFHVURJKSA-N 454.325 0.729 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1835681002 RGSLLVYUULTBQE-IMWIBFENSA-N 475.590 0.126 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)c1c[nH]c(=O)cn1 1836140795 XRBQDVMTNQOGJT-JAMLUQCHSA-N 460.535 0.484 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836875048 ACVLSHAOZFYZPR-DEOSSOPVSA-N 476.493 0.750 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1837443658 NKVARQYBBWHQNB-RZZUAFPKSA-N 454.531 0.876 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837527822 XGFMGWWVLSQHSP-COMOFLLJSA-N 461.519 0.395 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)ccc1O 1837531223 DYTGBEIQULFGNZ-UZXXWRCNSA-N 477.514 1.000 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cc(C)[nH]n4)CCO3)C2)c1 1837588574 QGIZZZDQCFOESQ-HSZRJFAPSA-N 453.499 0.911 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837674338 FIDPYCBWKNIBEY-XUFBJZODSA-N 468.551 0.277 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838073076 WBOMBBKBIDVVET-AIYSXCBHSA-N 491.545 0.655 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)no1 1838735961 CLCXGHJFXCIBSY-NRFANRHFSA-N 456.459 0.282 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838767567 LHBSTZNJDWTDHB-SJCJKPOMSA-N 462.429 0.694 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1839109475 HODADUJRYWYNJC-YDLHNXBPSA-N 481.590 0.883 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1839174136 IDGVZBFJQZDCHF-HSZRJFAPSA-N 492.529 0.742 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1839185134 OUCVKXKQRMFTFK-JPYJTQIMSA-N 492.577 0.594 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1839185726 JOOBTZNABAMWMB-UZUQRXQVSA-N 498.577 0.658 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1839203216 DDOVUDOASCOMLC-PMAPCBKXSA-N 485.578 0.310 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)cc1 1839363183 MYPCJJSOTJJOGS-QFIPXVFZSA-N 453.503 0.156 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)c(OC)cc1C)CCO2 1839398246 FHJDBCBTCFHGRF-KBDOHKNDSA-N 487.553 0.941 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)c1 1839420673 WXVMJTKELTVOKL-NFBKMPQASA-N 453.474 0.862 30 20 JCED O=C1Cc2cccc(C(=O)N3CCO[C@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)c2N1 1839573367 BRTQLENRTKNBRR-RCHKNJNJSA-N 466.494 0.963 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839577314 QDQBPYCUPCHOIP-OYHNWAKOSA-N 474.539 0.234 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1)c1ccc(O)cc1 1839886149 KYJBTENFZKCOKT-BWKNWUBXSA-N 471.554 0.872 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840170790 ZKUQATWKATXEGS-BJKOFHAPSA-N 479.574 0.618 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccn1)CCO2 1840422235 RVRQHCBXTRLELL-VQLQEPDVSA-N 458.515 0.164 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840796241 BOXSSYXOVLFQSJ-NTKDMRAZSA-N 496.605 0.829 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813815 XHLIQTQNSLZNDS-MHECFPHRSA-N 492.573 0.773 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840844057 BIDVOJGSUQZONU-SBUREZEXSA-N 481.546 0.313 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1840845067 DSBVFXSIRNSFQS-AOJNWGRGSA-N 499.564 0.628 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO3)C1 1840882371 HMHLDAMOODXWNB-HOYKHHGWSA-N 495.573 0.865 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1840908699 OONPRAVEAYQBPD-BSRJHKFKSA-N 465.547 0.396 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1840909005 LFJJQXNHCPFBIX-ZYLNGJIFSA-N 492.617 0.701 30 20 JCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)cc1 1845874369 YXRIMQXUYJZFPL-ZWKOTPCHSA-N 467.551 0.555 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC(=O)NC 1847764137 CRFNDCDZCYLDPJ-PMPSAXMXSA-N 481.550 0.130 30 20 JCED COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)N(C)C 16775964 IKJAZRBINNZHCO-UHFFFAOYSA-N 492.579 0.964 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)cc(OC)c1OC 516827850 TUJGDUOHVDHPMG-UHFFFAOYSA-N 498.605 0.984 30 20 JCED Cc1ccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1S(=O)(=O)NCC#N 518209434 RBYINMFMNARXCW-UHFFFAOYSA-N 477.568 0.407 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(C(=O)OC)cc3)c2=O)cn1 523573694 YAPZAEUJIGKFEF-UHFFFAOYSA-N 481.534 0.168 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccccc3OC)c2=O)cn1 523858248 GSFCRYBFAWOTHW-HNNXBMFYSA-N 467.551 0.778 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(=O)N(C)C 604270160 QEGUGQIEJMBBGI-UHFFFAOYSA-N 476.986 0.697 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608829051 ZPGXTCUKPOYBRK-UHFFFAOYSA-N 486.575 0.474 30 20 JCED N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 608911524 HYGPLFBEWHXNLQ-UHFFFAOYSA-N 478.442 0.418 30 20 JCED N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc(C(=O)O)cc4)CC3)C2=O)cc1 609121997 OUBRPVFORIYQRS-LJQANCHMSA-N 468.491 0.895 30 20 JCED CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccn1 726182468 UWVONHHZHQRGKC-UHFFFAOYSA-N 480.594 0.715 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2\S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO2)cc1 726404322 VYLFBASOSQDEFK-VWELRIEJSA-N 466.585 0.982 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)CC1 728590156 UEAHLSJOUNQZPK-UHFFFAOYSA-N 458.334 0.276 30 20 JCED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)c1 729673195 HNLPVLKOYVVMKI-UHFFFAOYSA-N 461.609 0.847 30 20 JCED CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 913243237 QUPCHWQYXHILSU-CRAIPNDOSA-N 450.517 0.128 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1360476393 LELMASIWCCPSGE-SPYBWZPUSA-N 452.537 0.850 30 20 JCED N#Cc1ccncc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 1450473091 MWGNRUIXKCBYMU-UHFFFAOYSA-N 454.512 0.036 30 20 JCED CNS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503836672 QILJGLMYIMULIR-GOSISDBHSA-N 459.576 0.625 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503840567 YWYWVOJBLLPMEW-MRXNPFEDSA-N 463.539 0.722 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CCO1 1554452188 WIXBDPHGGHHWGZ-GOSISDBHSA-N 455.519 0.595 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1618840959 ZUIZVHFVVHXLSK-UHFFFAOYSA-N 455.548 0.874 30 20 JCED N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(F)cc3)CC2)nc1 1630895784 INMWAXDMNBGZJS-MJGOQNOKSA-N 459.503 0.565 30 20 JCED CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1709943355 XCOWANJBHJMBSK-OAQYLSRUSA-N 485.614 0.994 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)CC1 1722796060 QMHXAJZQTNWFFX-UHFFFAOYSA-N 450.547 0.683 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCCCC1 1723955039 VPNQIUIMKZBLQI-SFHVURJKSA-N 487.634 0.967 30 20 JCED CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1729717785 KCEKKUVCCOABPS-AWEZNQCLSA-N 478.554 0.362 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(N2CCOCC2)CCSC1 1741920030 WXLIAZBNNIZOQP-JXFKEZNVSA-N 483.664 0.836 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1768432514 NYCPCLMYSQHDTJ-VGOFRKELSA-N 460.558 0.785 30 20 JCED C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778361163 CDTOGLSTMRAUAM-BVZALQNUSA-N 463.531 0.940 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)cc2C1 1779106890 MSSCKRFGEYHMOY-KTGCVPNGSA-N 474.562 0.691 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)C1 1779137840 JLPIIWMIHOAGHB-OUDOVLHRSA-N 490.557 0.900 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780923155 QZJMCLNOTOONSJ-WNSKOXEYSA-N 474.583 0.883 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780924961 YUVMEYWIWHRRBU-QFIPXVFZSA-N 492.623 0.590 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1781294476 LBCWTURKYKGGNR-OYHNWAKOSA-N 463.535 0.552 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)c5ccc(CC#N)cc5)C4)C3)CC2)CC1 1781791755 LYNQSSFJRKRCGB-XMMPIXPASA-N 451.571 0.976 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783568267 FPRFXTDKYNGXAH-GAJHUEQPSA-N 463.531 0.942 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)NC=O)CCO3)N(C(=O)OC(C)(C)C)C1 1784094370 WOPKAQXVKPKFLB-JLHGSKIFSA-N 450.536 0.516 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1784784563 DURNOTJJFGUMPE-XSLAGTTESA-N 462.551 0.727 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)n(-c4cccc(=O)n4CC)n3)[C@H]2C1 1787154166 YFLVWKNOJNXTNE-AQCRLBJHSA-N 495.580 0.994 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1787511916 KHVKAZCFOYYVQK-WDIVVRBZSA-N 463.556 0.117 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 1788659060 SXPOLHVJPLTMHE-RSGOWTOPSA-N 461.519 0.788 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)n1 1788659359 YOMQMLCOVWAEQW-IXGKORRHSA-N 489.573 0.796 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])[C@H]2C1 1789268895 HIOSVKMIJHODMF-XASIKMQRSA-N 461.471 0.941 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COCCO)[C@H]3C2)ccc1Br 1789917582 IVYVXAOWNGQJIB-ZVZYQTTQSA-N 466.332 0.923 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCCNC5=O)C[C@@H]32)c1 1790226963 FFCYKSLZIDEVCJ-WJPUGNRLSA-N 480.500 0.934 30 20 JCED CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CCOCC1 1791072695 VOZCUDPPWAFEMN-BZSNNMDCSA-N 493.557 0.376 30 20 JCED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)nn1-c1ccccc1F 1791075778 YTMBHKJVSAZUGP-DOXZYTNZSA-N 470.457 0.701 30 20 JCED CC1(C)C=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CN1C(=O)c1ccccc1 1791077630 BPPYWBIRSMCNIR-JBACZVJFSA-N 479.533 0.915 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2C1 1791986784 KDSAITUKEQXGRH-BFNBLTCZSA-N 458.515 0.971 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)C#N)C[C@@H]32)C(=O)C1 1792308678 ZWSKHGOQOWAVOB-BZSNNMDCSA-N 491.589 0.595 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3nc1O)C2 1792490524 DJGHUYDWLOKQOH-DUGXABPWSA-N 451.483 0.397 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2CC(O)C2)CC1 1792892926 SBMJGSBCYHCWIM-GKHYGCEVSA-N 476.574 0.888 30 20 JCED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1793584540 LKPXOSDZCFNUGU-LVZMMCSGSA-N 464.588 0.396 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794014945 ZUIBMAZCAATSJQ-CNALLMJASA-N 475.546 0.646 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795409699 MXCOWBSBJKYTJQ-KXJCHZFLSA-N 482.603 0.542 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795438505 HFMZTOJINUVLFA-DMUMMCEESA-N 466.579 0.378 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)c1 1795932234 SSGWTBDSWPEIGM-PJKMLTEKSA-N 483.550 0.982 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 1796030293 YCWDPDKBBJYMNL-FCGDIQPGSA-N 468.514 0.879 30 20 JCED CCc1nn(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)c1I 1796349641 NLXQHNREWGWIAG-ZSBIGDGJSA-N 484.294 0.927 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1796446310 NXXGMDVONNTXKP-RXQJWBBVSA-N 483.550 0.720 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796481182 RYAOYFZVNVYBII-FAQVEIGNSA-N 468.510 0.878 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1797742999 MQYGPHPTDCWQBY-LPVZQFDLSA-N 479.537 0.791 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2 1797783427 QGLJZCXRDIIZMX-KHUIQGCPSA-N 451.567 0.989 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)N2CCOCC2)N(C(=O)OC(C)(C)C)C1 1798492397 YOYRECUEXXLZPP-RVDAZCDBSA-N 478.590 0.841 30 20 JCED O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798494992 NXBJWXVUOBHTRY-OYEZAESLSA-N 456.565 0.579 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798590227 OPTAOKPANZWHNU-YNVMFWSZSA-N 477.901 0.910 30 20 JCED CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799707829 WIWFXDSVKJRHTQ-JLVBRIDZSA-N 478.347 0.795 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C#N)c1 1799801198 OAPXSLGZQMEVAR-PLACYPQZSA-N 457.483 0.565 30 20 JCED CCn1c(-n2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](C)S)cc2C)cccc1=O 1800985889 PSKIBJACDUDTAR-IHSNIMORSA-N 459.572 0.884 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1800989465 JEAQYJZVHDLPCR-RBZJEDDUSA-N 487.623 0.236 30 20 JCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnn3c1C(=O)N(Cc1cccs1)CC3)C2 1801989957 GHHRHICFJYAFPI-MUJYYYPQSA-N 481.534 0.940 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)OC)C2 1802125380 VYQDJDNTPGIWEY-YYAJDYIMSA-N 451.520 0.446 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CNC(=O)c2cccnc2)[C@H]1c1cccnc1 1802476325 HJYLCMLMLVVUFZ-YJGAIIDWSA-N 476.537 0.771 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2cnccn2)[C@H]1c1cccnc1 1803548094 HCTYANIAAULBBN-NZGUISNBSA-N 464.526 0.734 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C2=NN(C)C(=O)CC2)[C@H]1c1cccnc1 1804114042 DBGZUVJUPBEUGI-APDXCYDWSA-N 452.515 0.554 30 20 JCED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804193151 UTWMSPVDFVMJPG-NFBKMPQASA-N 478.615 0.801 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806079797 IZKCIFWZESTBEA-YLJYHZDGSA-N 478.557 0.623 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)c1 1811406806 FQANMKQJZNLKON-RBDMOPTHSA-N 464.526 0.874 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1813118319 SKCCBYSQHNNBIF-GERBCZOESA-N 486.525 0.547 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1814208082 FCXMGECCRYWJBR-LNLFQRSKSA-N 472.546 0.672 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](O)N2CCOCC2)CC3)c1 1821387924 KMVIRLJXEVVLOK-QVKFZJNVSA-N 471.539 0.900 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1 1825664920 SAJAISRATUBVNJ-ZDUSSCGKSA-N 461.521 0.789 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1826892864 RRJRPWOTXXTPSH-KRWDZBQOSA-N 469.550 0.328 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)C1 1828468445 XMKHXBZSCQSLLY-JSGCOSHPSA-N 478.527 0.779 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828524930 IAKHCUAXISSYNW-XMMPIXPASA-N 489.525 0.259 30 20 JCED CNC(=O)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828570621 CAGZHEAKCZNOTK-VWLOTQADSA-N 466.538 0.988 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828593290 AQEKPXOHBSWFGJ-KYTVRQNUSA-N 498.580 0.988 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829041909 GQCXIRRCDXPWCN-MBSDFSHPSA-N 470.530 0.799 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(Cl)cccn34)C2)C1 1829764987 DSAHMFHCEQXYCM-IYZQMXKPSA-N 487.944 0.916 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)C1)CCO2 1830714653 SKYPMJFZNYVDGM-BSRJHKFKSA-N 466.531 0.542 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1831396977 UJVNJAJHKWJOJG-IFXJQAMLSA-N 458.437 0.547 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cccc(N(C)C)c1)CCO2 1832525494 ADQDHFQXLAANKH-KWQGRVAKSA-N 486.569 0.446 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cn[nH]c4)CCO3)C2)c1 1832944523 KQHULAQTHURLBC-QHCPKHFHSA-N 453.499 0.993 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1835644988 LNXGUKYIHDZVMK-QHCPKHFHSA-N 489.548 0.876 30 20 JCED Cc1cnc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cnn2c1 1835677289 LNSGIOYDZNFEFJ-QHCPKHFHSA-N 469.546 0.390 30 20 JCED CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)C 1835677861 OWXCBXWKCFOTCJ-PGRDOPGGSA-N 452.552 0.312 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C(=O)OC(C)(C)C)C3)CCO2 1836255752 SABVWHVKOOLZCD-XMMPIXPASA-N 487.557 0.727 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)c1 1836678275 QJSPZDYHAJDNNA-NLFFAJNJSA-N 469.586 0.631 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)[C@H](O)C1 1836769359 LBTFDWUBHXJPSY-DKLXNKCPSA-N 494.589 0.755 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)C[C@H]5NC(=O)NC5=O)CC4)CC3)c2c1 1837116569 HQZONXQKCIRUDZ-LJQANCHMSA-N 493.524 0.645 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1837398557 DJHYVFSOLWRWJP-YADARESESA-N 473.526 0.661 30 20 JCED O=C(NCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1cccs1 1837488547 JSHOGZQQCJDMNO-DEOSSOPVSA-N 489.594 0.633 30 20 JCED COc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cc1C 1837527695 SZRABNKGCFGRNJ-OXZVPYCZSA-N 476.530 0.998 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1837529613 WPVQVZKBKGJPLL-GTBXIFBCSA-N 473.486 0.822 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838366715 VVIWTLYYPAGFQJ-UZUQRXQVSA-N 491.545 0.722 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838498977 KGFRRDDNOBVRTI-NQIIRXRSSA-N 461.544 0.114 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838733277 WZFOVVQWRQYSSQ-QFIPXVFZSA-N 472.523 0.674 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908091 GTGDGMOLZSNZMB-MBSDFSHPSA-N 474.514 0.471 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951317 KHVIPVKGUREXTN-NZQKXSOJSA-N 473.482 0.123 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1839101055 HTTKOUFTVMHANV-NBGIEHNGSA-N 469.586 0.193 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(OC)cn4)C3)C2)c(C#N)c1 1839132149 VWAMZDKHYJBRHF-DEOSSOPVSA-N 481.509 0.678 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2 1839139564 LSXKQLURXFLOFG-HSZRJFAPSA-N 467.563 0.788 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1839173775 LIWJXBJGXAGKJU-QFIPXVFZSA-N 457.487 0.309 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1839204016 DNUDCGKWLHGCHV-YTZAWJCFSA-N 499.605 0.292 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839519237 CIGRUVAXYQKULJ-DEOSSOPVSA-N 481.509 0.686 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839693014 FMIVSUXXMLGQDZ-SQJMNOBHSA-N 472.586 0.413 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839893973 BBZYSKAQBSEYCM-MGPUTAFESA-N 495.495 0.837 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840321661 FKEXFBZRICXAQC-SBUREZEXSA-N 498.577 0.658 30 20 JCED C[C@@H](Cc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840331788 FXXZHOMOECDYDJ-YADARESESA-N 457.575 0.998 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1 1840812894 QVEIIDPYRLNCBP-QHCPKHFHSA-N 475.567 0.919 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)nc5sccn45)C3)C2)CCC1 1840814463 LBYWKNDLNBKODO-NRFANRHFSA-N 457.512 0.520 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840842711 XGGCQQRXHFLBHC-QTLGCAHFSA-N 493.601 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1841055210 GWNYLPNHSKXCAH-IIAQQRLMSA-N 462.547 0.276 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CCN2C(=O)c3ccccc3C2=O)C1 1841909512 VVOYBMYBOQDSAL-HJWRWDBZSA-N 450.495 0.735 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CCC(=O)Nc2ccc(Br)cn2)C1 1842062847 KOQOFSZJLBEIKC-UHFFFAOYSA-N 463.288 0.854 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OCC)C1 1844159102 JVZJSGVFYKNUBA-IRXDYDNUSA-N 480.562 0.951 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1845132657 OHBWBJOTQRIKQA-MRXNPFEDSA-N 478.546 0.430 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 32355052 XCGDUGUXLGKKHR-UHFFFAOYSA-N 475.259 0.768 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCCSC 590995671 QJOCJYPLVJBQHF-UHFFFAOYSA-N 474.608 0.887 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccccc1 603791091 VPWTUVKNQOVBSY-UHFFFAOYSA-N 464.547 0.503 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 603793389 OALXAFWRISKOTM-UHFFFAOYSA-N 453.524 0.671 30 20 JCED COCCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403499 KMIOOAHCKCCHLJ-BSBNDGSWSA-N 454.574 0.839 30 20 JCED Cc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)s1 726577154 KGTXLSXXDYPGGG-UHFFFAOYSA-N 453.549 0.791 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 744990852 RTDUJWJJGOIUPZ-HSZRJFAPSA-N 481.465 0.630 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn(C)c2)c1=O 839328458 BEUQOEZTMUKVFI-UHFFFAOYSA-N 451.508 0.738 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2cn(CCO)c(=O)nc2O)no1 904855555 ZNZJLYDSKXDKGZ-CQSZACIVSA-N 474.499 0.961 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2-c2ccccc2)CC1 917356287 IZHAZCOEHCRBLM-UHFFFAOYSA-N 476.606 0.917 30 20 JCED Cn1cc(/C=C/C(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(=O)n(C)c1=O 917504080 CVXMPDXVUUALAE-BLGFXRMMSA-N 461.482 0.391 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(N2CCCS2(=O)=O)ccc1O 918098316 WGFXPDIFZIQCTI-UHFFFAOYSA-N 464.525 0.999 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccccc2)cc1 918252719 GMRSJOSZSFSHJM-LGUFXXKBSA-N 471.539 0.984 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)c1 918400892 ORIYERLEKAPXBS-LYBHJNIJSA-N 490.586 0.798 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)c1 918427741 UZXOUZIWLMIHJG-XHPQRKPJSA-N 487.538 0.690 30 20 JCED Cc1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1 920268512 OBGKJVNOFYYMBY-CYBMUJFWSA-N 451.530 0.618 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1552381307 LZCPMCNPNFVZEE-UHFFFAOYSA-N 461.548 0.051 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCC[C@@H]1C 1611707241 NKRZNAXEAGCDLE-JTWUUNPKSA-N 451.597 0.616 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CN4CCCC4=O)n3CCC(C)(C)O)CC2)c1C#N 1612472474 UXMOADMYJNFQGU-UHFFFAOYSA-N 455.567 0.802 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690329206 USAASGBLIHOAIS-QWHCGFSZSA-N 455.006 0.406 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1692544466 NTEJYQAPVQATHQ-WMZOPIPTSA-N 454.535 0.813 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccnc1N1CCOCC1 1692776545 RYYPQUNYMUGLRR-MRXNPFEDSA-N 474.591 0.908 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(N(C)C)CCC1 1692796094 LIOYLDCOZKTINK-KRWDZBQOSA-N 487.634 0.966 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1706865454 AMHXASJPPVSANC-GJZGRUSLSA-N 458.610 0.843 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CCO1 1729683524 YXODUWQWLBJMOT-GOSISDBHSA-N 453.503 0.017 30 20 JCED COc1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1730241702 NPLHRFBZBNZANA-MOPGFXCFSA-N 476.559 0.591 30 20 JCED COc1cc2c(cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)O[C@H](C)C2 1748582819 JSHCEGFURFXHOK-KEYYUXOJSA-N 476.559 0.997 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CC1 1750210716 WVRNCIXUIPGLMY-UHFFFAOYSA-N 469.527 0.921 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1761466821 QPFSXHGCQFWUHE-YOEHRIQHSA-N 466.589 0.831 30 20 JCED CCc1c(Br)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)nn1C 1777726967 NNNWRNBMDTWKRT-JLTOFOAXSA-N 481.347 0.961 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)C2)c1 1778115980 RYXLXHHCVCNLQP-QHCPKHFHSA-N 474.583 0.982 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)n1)CCO2 1779017177 CZGFLOBEEKAUSW-IOCYEQIYSA-N 470.574 0.833 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1779066469 ZOVXIAPDQJDVEW-DFIYOIEZSA-N 457.571 0.916 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779106186 XSGKPHCRTZGHJP-FTKQIQPDSA-N 451.549 0.372 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 1779418133 ONCFNKPRVZKSSH-CXWBOKMPSA-N 450.536 0.556 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1781166327 KJQMNVZLTNEJAS-HOYKHHGWSA-N 492.573 0.965 30 20 JCED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)C(F)(F)F 1781804407 WOHPKVBZKIFUQN-SJKOYZFVSA-N 455.397 0.059 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782658881 FMLUAFAHRSANRT-UZUQRXQVSA-N 475.546 0.543 30 20 JCED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1783114907 STKRUJVOTBQHDJ-SVQXRNPESA-N 464.588 0.209 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1783327148 KAAFIUFWIHXHAH-QVKFZJNVSA-N 467.494 0.547 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)S)C2)C1)NC(=O)OC(C)(C)C 1783898709 VODZWDIOCIGGFF-LRDNONRASA-N 459.565 0.591 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CN(C(=O)c4ccccc4OC)C3)C[C@@H]21 1784474470 KLNLWVVYDGPVPK-CFFRYYMNSA-N 483.565 0.785 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1785571568 FJXRTJCRUPXFCK-KOSHJBKYSA-N 472.542 0.745 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1785573759 ZSMQWLXNHGWNFE-WAIKUNEKSA-N 474.514 0.446 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1785575037 XBWMAPFWUQTJAN-MHECFPHRSA-N 472.542 0.595 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1)c1ccc(O)cc1 1786891462 DZSWEMNPEQDQCG-UMBQZNGKSA-N 470.570 0.462 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1cc2n(n1)CCCNC2=O 1788256531 WRPCXVQXWLHDIT-NIVWYHDLSA-N 468.514 0.322 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1791221519 AAULKNWBVVYEEB-FJIDUMEYSA-N 487.619 0.870 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(c3cccc(OC)c3)C1)C2 1792486858 XVXNAJVUQGWTDN-RCZRAQRLSA-N 496.564 0.496 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1792490539 FNZKLWMGTDBSPL-ICVKDSPJSA-N 451.527 0.201 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1793354270 PCXOAXANPCEZGL-JCECYMMASA-N 455.552 0.443 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2 1793599374 UBXBCDLRNIAYSM-KYHPRHEASA-N 483.635 0.529 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)[C@H]2C1 1795420529 FUHPQGZNRRZJEN-ACDHPSKBSA-N 462.547 0.762 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2cc(C)on2)C3)c1 1798578404 KWIOMMGLBYDDDB-UPHUGPLXSA-N 467.482 0.497 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)C3)c1 1798690627 GOFTUQIWKQTMSS-ZUMXRPEOSA-N 452.471 0.096 30 20 JCED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236574 RWEBLCIZNHUAHI-OQIJWPOYSA-N 491.589 0.641 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1799325290 ZVDFLLQNKGITQO-ZMMAXQRCSA-N 487.619 0.870 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1799363898 LQZBUBKUSPRSND-OREBXVKISA-N 469.579 0.425 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799885616 SHTRSVLRAJADJL-GZAFZTIPSA-N 455.471 0.254 30 20 JCED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2cccc(C#N)c2)C3)c(=O)nc1O 1801969816 MKDCLTHRGUZMEF-HATOLVCRSA-N 465.510 0.351 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801987694 DDJPZUFJDKHRHJ-DAWKRRPCSA-N 463.531 0.721 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801990880 XAXUEFHHTMWVTF-BCDXTJNWSA-N 481.546 0.661 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2 1802084610 PYXBLBOTUGXLDG-ZHCJQAHYSA-N 487.619 0.987 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804192118 KAFISMPUSSYRNM-FDDCHVKYSA-N 476.493 0.590 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)Cn3cnnn3)[C@H]2c2cccnc2)c(C#N)c1 1807614635 SIWZZSAJXJKJBF-FDDCHVKYSA-N 460.498 0.897 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c(C#N)c1 1808165245 UWOKSLWHRRTFNS-KOSHJBKYSA-N 490.520 0.762 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808273904 OQVIONQFGHNKBA-BERAWNTRSA-N 472.590 0.843 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)Cn4cnnn4)[C@@H]3c3cccnc3)c2c1 1812069886 PQQPKFSSFPXTOI-IIBYNOLFSA-N 456.470 0.836 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1815670587 CEJNAWZMEICIBI-GNCZZYFXSA-N 496.590 0.661 30 20 JCED O=C(C[C@H]1NC(=O)NC1=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1815769958 XDHRSUAUJAHBPM-HZPDHXFCSA-N 456.503 0.699 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815850915 CJVICHVMDNGNHO-WDEREUQCSA-N 463.541 0.559 30 20 JCED CN1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=N/O[C@H]2CCCCO2)CC3)CC1 1818799841 HZNQJQSNZUEUHI-GTMGXZALSA-N 464.592 0.832 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1822222732 PNMNTGBGDJECCT-GJZGRUSLSA-N 491.501 0.946 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1825706664 OQXJWGZQASGDEB-WCQYABFASA-N 494.526 0.600 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1826892865 RRJRPWOTXXTPSH-QGZVFWFLSA-N 469.550 0.328 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnnn1)CC2 1828284285 HXDYHWVIHUGRDZ-GXTWGEPZSA-N 474.547 0.658 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1828808389 RNJCFQZOFQJTKX-WZONZLPQSA-N 453.499 0.488 30 20 JCED CCOCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828872790 IJBYUAMKNZHVEX-HSZRJFAPSA-N 457.483 0.563 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnc4CS(C)(=O)=O)C3)C2)C1 1829664982 JODJZZXNURJZIO-JOCHJYFZSA-N 463.556 0.662 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1 1830216516 FCJVEZXDQLYLEI-LTWDQGNYSA-N 474.558 0.657 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(C)(C)O 1831223013 NBMDDQPCMIEUMF-NTKDMRAZSA-N 479.574 0.520 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1831399224 RYHNAHRVZUYUIY-IVZQSRNASA-N 471.470 0.579 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1831411513 SYKAGNONWDGIEE-GOSISDBHSA-N 461.441 0.876 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831478619 DFCXONVTSWPDPS-KOSHJBKYSA-N 494.589 0.274 30 20 JCED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4Cl)C3)C2)CCC1=O 1832374735 CWQRDGXCVAPPEF-QFIPXVFZSA-N 473.917 0.890 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CCN(C)C(C)=O)CC2)CC1 1833669776 BZBUSYVBIVSLHI-UHFFFAOYSA-N 450.580 0.936 30 20 JCED O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccccc1 1834705472 LUECNOMURFIHEP-CELOQEIPSA-N 459.499 0.855 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)c1cc(O)nc(O)n1 1835075335 HSMGJRUWMVOHOH-RXULLKCLSA-N 476.534 0.602 30 20 JCED Cn1c(=O)c(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)nc2ccccc21 1835372508 OOYRKKXZNBGIPM-UHFFFAOYSA-N 465.510 0.207 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)CC1 1835681083 PSPSSZDDACDWMQ-HSZRJFAPSA-N 493.605 0.782 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C)nn4-c4cccc(=O)n4C)CCO3)C2)C1 1836259596 IAUSNDBMWDHKBU-RUZDIDTESA-N 481.553 0.916 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nn(CC)c3ccccc13)CCO2 1836339408 FNWZKIJDMMUFQS-JRUKXMRZSA-N 481.553 0.985 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc[nH]n4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1836353527 CTSZFGSWECPQRT-AOMKIAJQSA-N 476.534 0.440 30 20 JCED CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CC1 1836672022 KBKUFHCVXLEKHC-NVIZVJJSSA-N 476.599 0.191 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837050371 WGWSTCCEFPXFOE-DTXYYNOZSA-N 477.543 0.995 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837293276 UIIJPKMBBNVZOL-XUZZJYLKSA-N 485.541 0.459 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1CNc3ccccc3O1)CCO2 1837348704 PQRMNVZOVPARGK-VNBJOJGYSA-N 484.553 0.564 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1837440816 ZKRDOLLVLDKKKX-DIVQNALZSA-N 463.579 0.317 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1837443422 JVBBCFVTEMKAPH-ZDXRRBIGSA-N 481.557 0.809 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)ccc1O 1837445158 HGDKIYWAMPDXOQ-RZZUAFPKSA-N 460.531 0.943 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837758939 GLYJNPSZAOHNCR-ODRRNAMXSA-N 491.545 0.524 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838259261 UBWQRYHQZIQMKI-FQEVSTJZSA-N 452.895 0.709 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1839101577 QRENALLINLITSM-HFZDXXHNSA-N 483.613 0.583 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132060 PSFPBNCTMGBBNK-CVDCTZTESA-N 473.530 0.013 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1839185751 JZHWUGWBBJUDQI-FDDCHVKYSA-N 485.578 0.311 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)ccc1F 1839186643 HGWZUNJLLXKZHA-HSZRJFAPSA-N 470.457 0.409 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839209133 OZMJHDMRVXCQOK-IERDGZPVSA-N 454.524 0.022 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839209705 LCNPZOAKDYGOMT-KSFYIVLOSA-N 468.551 0.268 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c(Cl)c1 1839423469 CJHYBHOVZULXAL-OAQYLSRUSA-N 473.873 0.797 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839727333 LEOSGLSOTNGHJM-GVUKDKGQSA-N 469.582 0.882 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1839838935 TZZLKCCPJGUJCP-BSRJHKFKSA-N 469.579 0.931 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1840089232 OQAIEUKIWJOMID-SEPYTNNBSA-N 469.579 0.929 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1840175960 OQRJQCQYTKGMHC-MBSDFSHPSA-N 477.562 0.878 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1)c1ccc(O)cc1 1840219748 BIACINUOPBYGRV-YADARESESA-N 467.526 0.788 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840344525 IPUJTUNENSQHAC-FDDCHVKYSA-N 490.561 0.606 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)OCC)C2)C1 1840907421 UYDYLTMNELSDBA-KRMZCJOASA-N 493.557 0.479 30 20 JCED COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1845245987 UMQDJHYALZOMSC-UHFFFAOYSA-N 480.602 0.975 30 20 JCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1846367955 ZBFYXWANNCXAIN-UONOGXRCSA-N 456.613 0.665 30 20 JCED CCOc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)cc1S(=O)(=O)N(CC)CC 10855107 LTTMNHMVFFRNNL-UHFFFAOYSA-N 477.543 0.969 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1=O 23853959 QXFAWDCEBSQXCP-UHFFFAOYSA-N 469.498 0.581 30 20 JCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)cc1 410419049 CQBNCVFPUWVYEB-UHFFFAOYSA-N 480.612 0.934 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2cccc(C)c2C)CC1 502054622 CWCITGZWZSURQU-UHFFFAOYSA-N 476.606 0.917 30 20 JCED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 604164756 WDZZMOZJOMDBJS-UHFFFAOYSA-N 464.482 0.879 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(OC)c(F)c2)CC1 608828443 ZYYCUGVZXSVWEG-UHFFFAOYSA-N 496.568 0.447 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCN(c2ccccc2)CC1 744088557 BBWPUWDHACGPQQ-UHFFFAOYSA-N 455.540 0.580 30 20 JCED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 916938177 HWMINDUZMBQZQD-CVEARBPZSA-N 474.495 0.676 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)c1=O 917463831 QJZZAIIBDBXGGX-QGZVFWFLSA-N 472.521 0.285 30 20 JCED CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 918318745 AFEVSLKCOGNDJB-UHFFFAOYSA-N 458.500 0.422 30 20 JCED CN(C)Cc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1314667786 SYECNPKJXRZDLQ-UXHICEINSA-N 489.602 0.450 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1=O 1316116047 LUBKFKIWGFGDEV-TZIWHRDSSA-N 481.557 0.653 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 1497055651 JKIDNBGYQNXGNR-NRFANRHFSA-N 485.637 0.537 30 20 JCED CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1503621320 ODLCUNXKTYBTND-UHFFFAOYSA-N 483.573 0.746 30 20 JCED COCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1504758497 VAKGCHMXTZTQKY-UZLBHIALSA-N 470.596 0.529 30 20 JCED CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1540938186 VYCCAEFSIUNAQY-GCJKJVERSA-N 472.571 0.671 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1CCOCC1 1541942868 LUBAXCICAIWISL-MRXNPFEDSA-N 474.591 0.908 30 20 JCED CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1615889257 ZZHWOKOMLBBKKZ-KRWDZBQOSA-N 452.629 0.656 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1710881087 MPKLAEAEENSKAP-MRXNPFEDSA-N 467.573 0.787 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1712454365 NFYYJIBIMNFJCX-UWJYYQICSA-N 484.623 0.919 30 20 JCED CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1729056834 SCADOBNMBIPIEM-JOCHJYFZSA-N 474.587 0.953 30 20 JCED C=C(Br)Cn1c(C2CC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760307324 PNTFLFODWYLGMP-UHFFFAOYSA-N 451.329 0.531 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)ccc21 1777866560 VKDFIIXPANVRFF-APRFEEGUSA-N 485.541 0.850 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780156869 UJBDPQGXIASCJO-XMMPIXPASA-N 472.542 0.561 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CCN4C(=O)Cc5ccccc5C4=O)CCO3)C2)c1 1780331613 YQWQNOWZVPDFOD-RUZDIDTESA-N 475.505 0.945 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3nccnc3C(N)=O)C4)c2c1 1781204497 BCZIVRNUNUBJEG-MZNJEOGPSA-N 488.508 0.765 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)ccc1F 1781296537 ZCVUQTXGIJOCCB-DEOSSOPVSA-N 465.485 0.895 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)C2)C1 1783017533 HJNXJWAGFIRIPH-DHSLYTQISA-N 489.594 0.711 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2F)[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783544858 DEXYZIZAKISGIE-VILXRURSSA-N 479.505 0.640 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1783680537 YCVIRRYWIPGAIZ-FPOVZHCZSA-N 462.609 0.467 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3CS(C)(=O)=O)C[C@@H]21 1784479047 VLFMWZJBFCSFAJ-DUPRYPCISA-N 463.556 0.258 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785608984 IEUQFKGPLKJYRA-PONJGIIJSA-N 452.552 0.797 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785612146 CDALDCAHFWGKSY-KOSHJBKYSA-N 497.589 0.990 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786367403 KGDWLOLEPIJEQB-TXTZMMAHSA-N 450.536 0.498 30 20 JCED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1786560018 GBIMXGYESOYGNT-ZWOKBUDYSA-N 468.535 0.483 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1)c1ccc(O)cc1 1786647832 IMRUDSONXAVQFH-ZFMNYDKASA-N 462.568 0.914 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786793110 CANAOAINESQVNY-BURNTYAHSA-N 485.585 0.932 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@H]4NC(=O)NC4=O)C[C@@H]32)c(C(F)(F)F)n1 1787198585 PRSLWCNDZWTAQM-HPEDKQMDSA-N 494.430 0.163 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787493068 PGHXEJLLIASSOC-IQWQSGHPSA-N 452.577 0.751 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)CC(=O)N4)[C@H]2C1 1788260746 KDNWRRFGZXWSOC-UYBBGVAXSA-N 452.511 0.633 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(N5CCN(C)CC5)CC4)C[C@@H]32)c1 1789258884 JZEYNUJMFOUKNZ-VJBMBRPKSA-N 481.597 0.940 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789342867 SKILGMKCKUZEAQ-DWRORGKVSA-N 475.546 0.755 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]4CCO[C@@H]43)C[C@@H]21 1790793359 ACBXCSAVJALRDN-HBYOXCMTSA-N 461.559 0.871 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C[C@@H]21 1792173643 ASWNULGMHLSHIX-XIRDDKMYSA-N 472.567 0.234 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1792256739 JCFHJVXBFVWAOU-VJANTYMQSA-N 487.557 0.140 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncn3)C[C@@H]21 1792257230 CAFRRUONYTVFOU-DWRORGKVSA-N 457.531 0.987 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 1793010922 HWQOZTNDJRPEQJ-NRVIEEGESA-N 493.626 0.825 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2)C3)n(C)c1=O 1794252993 YUUGFDPKVFPONZ-BCDXTJNWSA-N 475.509 0.257 30 20 JCED CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2ccc(C#N)cc2)C3)CC1 1795443508 OHIKBQFPMGAOTA-BRTYFSMRSA-N 453.587 0.718 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797815925 YDXPVLRULACVHO-TYYZAFGHSA-N 498.577 0.381 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1799392893 NNXLEFMCCOROCP-PDOICOKGSA-N 461.515 0.840 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800298017 RAGDIKKOAHPCCQ-ZKPZVSKHSA-N 471.598 0.785 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O)NC(=O)OC(C)(C)C 1800542291 XWWOSLFEUVCBOB-BMQTXXJKSA-N 466.579 0.962 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C12CCN(C(=O)OC(C)(C)C)CC2 1800708805 SWGKEUJZXMQAAT-DMUMMCEESA-N 490.601 0.915 30 20 JCED C[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CCN(C(=O)OCc2ccccc2)C1 1800781238 RDQLQYWSHVWELS-AJDBGRLRSA-N 483.521 0.713 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCCCNC(C)=O)NC(=O)OC(C)(C)C 1800843303 LCVJPCLBCQVOHZ-DMUMMCEESA-N 464.563 0.409 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801990175 PCKRPJHAHDSNNQ-YYIAUSFCSA-N 492.529 0.518 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801996003 YQPRCHYKKNKTNI-YDGKCNFYSA-N 450.499 0.817 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(O)C(F)(F)F)C2 1802124840 LUKDLCSOMIKBFQ-UPYQZRRNSA-N 477.480 0.806 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1802126693 LZZXBVNUZMGHFV-SSTJLMRISA-N 485.585 0.458 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810292077 NODNYDNPMLCLLH-WTWCHMMPSA-N 458.563 0.710 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1819896244 LUIGMTADMMEUIK-OEANZGIMSA-N 464.504 0.182 30 20 JCED CC(C)(C)[C@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828546465 LYRGNNOPHXALLE-BWKNWUBXSA-N 485.537 0.934 30 20 JCED C[C@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3(C#N)CC3)C2)C1 1829224847 DKZPPYCBTLTAPV-MHECFPHRSA-N 467.526 0.877 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccno3)C2)C1 1829332387 JGXWDBXITFLHEK-HSZRJFAPSA-N 466.450 0.828 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Cl)c(CC)nn3C)C2)C1 1829763985 GUAPBNYAPRTLEC-DYRFGFBLSA-N 479.965 0.564 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1829859258 CITUSVVVRLJXGH-URXFXBBRSA-N 472.542 0.480 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829904341 PJRZEGYBCGAEDH-JOCHJYFZSA-N 459.572 0.041 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1831386882 KOMFMDWDYXTGLP-IECBHUPTSA-N 489.594 0.591 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1831397925 ZYGJOZMSMYNSII-SSOJOUAXSA-N 479.537 0.679 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1831998550 OHTCMXFCJVVYMD-KSFYIVLOSA-N 499.634 0.929 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1832446662 DRSQFXHVZCFNHN-IERDGZPVSA-N 473.592 0.248 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)ccnc1Cl)CCO2 1833247310 WEVFTJGSNYISDB-YOXWTLATSA-N 466.897 0.803 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)no3)CCO2)C1 1834230544 NFYSBFJOVTZAOU-SBUREZEXSA-N 476.530 0.970 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1834716910 AWFOANSKOUSJGN-UHFFFAOYSA-N 457.579 0.097 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3cccc(Br)c3)C2)C1 1834765815 LAIRPQRJOUXACK-PKOBYXMFSA-N 452.305 0.853 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)no1 1835100230 HQDAYCSEIIISGN-XMMPIXPASA-N 466.494 0.221 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccnn3CCOC)CC2)CC1 1835179003 FGJCIKHVNCCXPA-PLNGDYQASA-N 472.590 0.573 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835341895 LHRDGMZSUQPISA-YTZAWJCFSA-N 492.573 0.364 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1835678126 ZFTZXTVGDKAZIC-HSZRJFAPSA-N 454.531 0.915 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1835755779 MCNQOJLHUNSDKZ-SFTDATJTSA-N 481.590 0.626 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)c1c[nH]c(=O)cn1 1836140796 XRBQDVMTNQOGJT-XAOCGEIJSA-N 460.535 0.484 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2)C(F)(F)F 1836380915 MRCSVMUTTUMDMV-IBGZPJMESA-N 491.488 0.815 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc6ncccn6n5)CCO4)C3)c2c1 1836873037 SHFBUFPIRJWKJI-DEOSSOPVSA-N 486.492 0.861 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc6ncnn6c5)CCO4)C3)c2c1 1837170152 LCFYYNOEJGPZFA-XMMPIXPASA-N 486.492 0.861 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)C2)C1 1837391524 SCHVQCHIJUSZKF-FXKZBUDASA-N 452.548 0.605 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3nccs3)C2)C1 1837396007 AGEGALYQVJLUEU-XFQAVAEZSA-N 452.577 0.973 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1837405085 GNHYUXXDNXLCLQ-FQRUVTKNSA-N 497.548 0.759 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)N1CSCSC1 1837444301 WXMIZKKJKUDZRI-MYRHLRDYSA-N 485.676 0.958 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1837446675 MFMQDLJPQXBZKL-BZOGRRMQSA-N 458.559 0.518 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1837446694 MOTRXKMCICNYSF-NXJLLGQXSA-N 482.585 0.681 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837446964 SFVRYXYASLMQTI-IGPUNGKJSA-N 455.519 0.500 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486921 UCBAUHCLHTWXMA-QFIPXVFZSA-N 468.572 0.048 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837527891 ZMEVECCUGVISBF-BMUPIEFHSA-N 472.502 0.328 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1 1837531444 MXALEQFTELXDJK-KHLOOKIASA-N 477.518 0.474 30 20 JCED Cc1cnc2c(C(=O)N3CCOC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cnn2c1 1837563208 LJPRAEXWJQVXMQ-RVEDOPBZSA-N 466.498 0.820 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837640096 CAHNIRCXBBUSIN-CYFREDJKSA-N 466.542 0.875 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837770941 XIPHNFIOVIHVII-RTAVMZEGSA-N 498.483 0.842 30 20 JCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n(C)n1 1838043260 ITUATVPAXGRBND-KHLOOKIASA-N 463.535 0.582 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c1Cl 1838595030 DCJIFDSGYUMLCL-QFIPXVFZSA-N 472.885 0.994 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1838906993 RQGRQGBXNDVYMG-DEOSSOPVSA-N 478.509 0.272 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CSCSC3)C2)C1 1839175209 URDZZIFCWMXXPO-LAUBAEHRSA-N 487.644 0.995 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1839190882 IXJKPDGRXHLKBH-FPGHNAPASA-N 475.542 0.695 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839203563 OWBVQBBZMVLUBW-AOMKIAJQSA-N 468.551 0.268 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839560861 OQHZHTQKFHAICE-RWOVVYLESA-N 454.531 0.876 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839652739 UCMBXNUPLZYIKZ-QHCPKHFHSA-N 473.599 0.431 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)[S@](=O)c1ccccc1)CCO2 1839671037 NEQTXGBWVMDLJG-UAWLPFBLSA-N 489.594 0.498 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839887175 YMOBCDCYNWKGGH-QRWLVFNGSA-N 477.505 0.540 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)C2)C1 1840172841 LSYGEVCZNHYMKS-QHCPKHFHSA-N 455.515 0.526 30 20 JCED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840434636 DCTIFKCABCHLKW-CYFREDJKSA-N 467.526 0.926 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1)NC(=O)OC(C)(C)C 1840795543 NVQXDBPXRKLZNN-YADARESESA-N 499.605 0.965 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(=O)c4ccccc4)CCO3)C2)CCC1 1840800794 SILDJOUTHYWIIN-XMMPIXPASA-N 454.527 0.957 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1840907452 VSMBLYHVJZSPPF-UZUQRXQVSA-N 481.546 0.313 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)C(=O)OC(C)(C)C 1843361638 GRWISEDHUSVOOE-OAHLLOKOSA-N 479.530 0.903 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H](COC)NC(C)=O)C3)N(C(=O)OC(C)(C)C)C1 1846449627 YDZNCGMDJFAERA-MSOLQXFVSA-N 464.563 0.907 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2C(=O)OCc2ccccc2)C1 1847000597 IVXMSRBLHPVRHT-KFKZIDAKSA-N 496.564 0.820 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3c2OCCCO3)c1=O 523081450 SQEDSQCRTDOQCM-UHFFFAOYSA-N 455.536 0.889 30 20 JCED CS(=O)(=O)N(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C#N)cc1 603934823 BXJKLYWQIAWMFG-UHFFFAOYSA-N 478.552 0.984 30 20 JCED N#Cc1ccc(N2CCC(NC(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)CC2)nc1 608994506 PSLJRGQTPNCBAR-UHFFFAOYSA-N 487.542 0.330 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 725763416 KIUYWJSMMIXFOA-UHFFFAOYSA-N 463.563 0.973 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCc2ccccn2)c1=O 726182259 MSVQTRACEQURTE-UHFFFAOYSA-N 450.568 0.926 30 20 JCED COc1cccc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1OC 729429828 OGIHVRFIFQKCNS-KRWDZBQOSA-N 458.496 0.819 30 20 JCED Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCS(C)(=O)=O 729672662 ASBXLUMTQJEREA-UHFFFAOYSA-N 462.578 0.444 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCS(C)(=O)=O 729674516 JBNJVWCMFAYNIT-UHFFFAOYSA-N 478.552 0.282 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914668376 QPVORVBFZDNRRF-XOBRGWDASA-N 450.517 0.407 30 20 JCED Cn1cc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(C)c1=O 916949172 KNPYVNKIOOBUSB-JBVUFVISSA-N 499.549 0.619 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 917931095 UFMIMGJQVPHJRJ-UHFFFAOYSA-N 466.560 0.960 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)c1 918272994 XPJVFPPKDBAPTE-ZMOGYAJESA-N 463.438 0.233 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 918610982 VXQKMCUIPGNVPH-HEHNFIMWSA-N 463.541 0.936 30 20 JCED C=CCn1nnn(CN2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)c1=S 919936257 LRXASQWRPYKSFB-UHFFFAOYSA-N 455.522 0.876 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(OCCO)CCOCC1 1138748588 WRQWXZFDNBTMAV-QGZVFWFLSA-N 453.561 0.958 30 20 JCED CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1314632028 KYGASXRHFRRLJX-UHFFFAOYSA-N 452.563 0.895 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1316360056 PNCRODFJIITKGZ-CQSZACIVSA-N 455.338 0.986 30 20 JCED CO[C@](C)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C1CC1 1503916081 IAHDJNXFHRKOSX-CFLQYTFWSA-N 451.597 0.880 30 20 JCED CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1516796397 ZKPIKBLUISVRPA-UHFFFAOYSA-N 466.589 0.723 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCN1S(C)(=O)=O 1731149289 SWTNRQXREKFVHG-HRAATJIYSA-N 459.576 0.353 30 20 JCED Cc1nccnc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1742642246 HPAUTKACHQTSEE-WBVHZDCISA-N 459.580 0.406 30 20 JCED C[C@@H]1CN(c2ccc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CC[C@](F)(C#N)C3)cn2)CCO1 1743207942 MYDBPRFEWLPVSG-ZOCZFRKYSA-N 492.581 0.999 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)N1CCOCC1 1762292829 BRMDSMHZZQHAKN-IBGZPJMESA-N 472.594 0.622 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1=O 1769879922 PDMNKMRPHYEPCH-SFHVURJKSA-N 487.586 0.393 30 20 JCED N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cc(CO)nn2)CCO1 1771536369 QNOZWNSYJBCVGD-AWEZNQCLSA-N 462.312 0.939 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1)NC(=O)OC(C)(C)C 1778268201 VSBVGKBGZBDXMR-CJFMBICVSA-N 493.649 0.923 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1778973093 ZCANULDVTJWNCE-YADARESESA-N 460.527 0.852 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021456 QDBJBSMBCOVYBF-ACIVSAMGSA-N 453.540 0.131 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)c3cccc(Br)c3)C2)C1 1780974041 MYSFQVJPGQLVGI-MJGOQNOKSA-N 451.273 0.400 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1781051637 YCXKTYPOOSEMFJ-MRBVYLELSA-N 498.577 0.872 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CCOC1 1781310642 VSRNFRCIGZITOL-VWPLMULRSA-N 493.605 0.972 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781353314 KAQZDGANVKNCKD-VORNAUPZSA-N 478.546 0.804 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)c1ccccc1F 1782013717 CEYMSCPYHWWVCP-CTUHWIOQSA-N 473.501 0.779 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(O)n4c3CCCC4)C[C@@H]21 1783531705 RXDQTFCMFSOPEQ-LZPLBESISA-N 457.531 0.377 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3ccc(C(F)(F)F)cc3n1)CCO2 1783563644 VUEBUGINRWEXBB-IBGZPJMESA-N 450.373 0.885 30 20 JCED Cn1nc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c2cc(Br)ccc21 1783565498 LXKBKCNJKKMJIX-FQEVSTJZSA-N 475.299 0.867 30 20 JCED CCOC(=O)c1nn(-c2ccccc2C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C 1785245284 GPMAQRRLWIYDRU-RUZDIDTESA-N 494.504 0.889 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785306871 VGNVTTSLTNQUTN-DGGJZMOXSA-N 481.594 0.269 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(=O)C=C)CCO2)C1 1785576300 CFBFGRJGGZVSGQ-QQMNAOGKSA-N 462.547 0.424 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1785578416 YCCLXSRPZYOGBL-GMWOSMDTSA-N 481.546 0.349 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1785708615 MBPFWCKGOVOXIO-DYRFGFBLSA-N 462.547 0.732 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)CC1 1786364109 QHWWDFWAIZATTJ-ULQDDVLXSA-N 450.536 0.642 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C5(C#N)CC5)[C@H]4C3)c2C1 1786696125 YQDZNUUQBDSTGP-BQFCYCMXSA-N 499.572 0.926 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C[C@@H]21 1786858375 SWVVDEWHEVPPMK-JBACZVJFSA-N 490.626 0.894 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cn2cccnc2n1 1788311022 VGJJHIXQQBKPBC-VNWIBMOYSA-N 456.503 0.852 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788506553 DPRXLOQYBNOEIY-QAETUUGQSA-N 489.577 0.216 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)NC4)C[C@@H]32)c(C#N)c1 1789839832 MWCCBPZOHMKIJS-USNOLKROSA-N 454.527 0.615 30 20 JCED O=C(O)C#CC(=O)NC1(c2ccc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)cc2)CCC1 1791143562 FLPOPFOHLFABPG-DLBZAZTESA-N 484.534 0.389 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3I)C[C@@H]21 1791262369 ZYQZBJUHRRXXDE-WDCWCFNPSA-N 464.329 0.926 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1792148306 CYIKLYLWVHNLKP-WFXMLNOXSA-N 495.492 0.687 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(S(C)(=O)=O)ccc1F)C2 1792490497 BQBYXRDGFHTYQU-KULPGCBOSA-N 479.530 0.291 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793086038 LUUQUHXWKMJMTF-AVEIZBFRSA-N 455.552 0.443 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797237900 WGHSVXPREMWELP-XAPVIXHLSA-N 493.649 0.683 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)C1 1797744525 ZLTMUDZIJKQKIV-LFBQXAIUSA-N 493.605 0.276 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O)NC(=O)OC(C)(C)C 1797969377 XWRZILQLHXHISS-RVDAZCDBSA-N 496.605 0.587 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1799233045 FUUAWCLKHRYKJC-KWXDATOUSA-N 476.574 0.551 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C2 1800989333 GDLSXJMNPCGWQX-CUSZFKRNSA-N 456.609 0.447 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1804524971 PTSNEFIOXZJKQN-AKHDSKFASA-N 476.574 0.742 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807027833 CDMJSRMFRHJASY-XMSQKQJNSA-N 487.453 0.763 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c(C#N)c1 1808173571 SJONKQYLHISGDX-BUUDZMLXSA-N 493.564 0.861 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810356425 JQKKRIKTEXVVSM-RWTTVFDISA-N 495.602 0.944 30 20 JCED C=CCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1813060920 LOULTPBNXLXNBP-IIMDRIAPSA-N 471.583 0.844 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)C#CC4(O)CCCCC4)sc3C2)CC1 1819846364 PESXVRDWXMCEEY-GOSISDBHSA-N 487.626 0.918 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN(CCO)CCO)CC3)c(C#N)c1 1822809579 CXOYSXYSURBXIB-KRWDZBQOSA-N 487.582 0.465 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN)C2)C1 1829226483 BPTLLBJNOPRERS-XMMPIXPASA-N 472.542 0.907 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCN2C(=O)OCc1ccccc1 1829360777 PLCLTHRYFAHROW-OAQYLSRUSA-N 480.443 0.750 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C3)C2)C1 1829668001 FGXKNXFNZVBAJS-MBSDFSHPSA-N 467.563 0.949 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ccccc5n(C)c4=O)C3)C2)C1 1829668505 RQJSUNYZQRJBGB-DEOSSOPVSA-N 452.511 0.970 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1829762285 CHSPMJSJTPHXRG-YOXWTLATSA-N 450.442 0.288 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc4ccccc34)C2)C1 1829765269 QHJCDVMYBNIHFF-WEHRJKGCSA-N 468.510 0.685 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)n1cnnn1 1830472204 FSFDBHAXSQAXAO-IIBYNOLFSA-N 458.906 0.396 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3Br)C2)C1 1831396649 OSUQHUJOFQAUSO-MGPUTAFESA-N 466.332 0.952 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1831401645 DGQYJGCBBITSBM-NTKDMRAZSA-N 457.527 0.220 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831470454 UBXSXMGKVCYRCK-KOSHJBKYSA-N 496.605 0.827 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1831484852 HCDCSSKKFNJDIC-NQIIRXRSSA-N 452.577 0.545 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1831999715 AEYMMHHGUFXJKR-QRQCRPRQSA-N 480.518 0.920 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)CCO2 1832350338 LDTMCAAILIBHOH-DEOSSOPVSA-N 487.940 0.935 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833032965 DYNNOEYKVLPRKV-IERDGZPVSA-N 466.560 0.735 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1833238442 XYTMIHVLEIDVRG-UHFFFAOYSA-N 485.972 0.815 30 20 JCED CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1C(=O)O 1833609165 HDSLFQKAWXVMTP-JOCHJYFZSA-N 459.503 0.926 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CN4CCS(=O)(=O)CC4)CC3)CC2)cc1 1833713837 FIPSEFGBNIEEQU-UHFFFAOYSA-N 487.626 0.474 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834398300 MULWDEDOXSFBFS-OALUTQOASA-N 463.579 0.842 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(CS(C)(=O)=O)nc3)CC2)CC1 1834962668 LEKZHFBBDWDXFW-GOSISDBHSA-N 490.626 0.850 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835766689 MWRKXMVMDWWSKG-HTAPYJJXSA-N 453.584 0.010 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)c1 1836122990 NACTXFUJNZBHFC-UHFFFAOYSA-N 482.541 0.304 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1836526475 UYNJBCWBOMFCFQ-RUZDIDTESA-N 496.568 0.518 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836989215 LVTYBQUCGQXEMT-WAIKUNEKSA-N 457.483 0.126 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1837403719 ZFHOWUSIZQLTKS-QZMQVMSPSA-N 469.579 0.929 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837490878 DJBDNZCVVKVKRC-DEOSSOPVSA-N 467.526 0.498 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524863 ICMVGOKXLMBZTO-OIWGFISTSA-N 452.552 0.456 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)cnc2s1 1837562668 AVDPTBAPDPNJQK-DEXVNCAESA-N 499.549 0.847 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1837771724 NMUMIUVLQDKQKZ-LJQANCHMSA-N 499.630 0.946 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739501 VVHDGWHRSPDWBS-JOCHJYFZSA-N 461.519 0.870 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCN(C)C2)CCO3)c(C#N)c1 1839067540 OVNFPOYMGPPMEE-NBGIEHNGSA-N 470.570 0.908 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1839175494 MYMXFCFBMZYRAG-FQEVSTJZSA-N 450.448 0.502 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n(C)n1 1839186730 LQKVXOGHJMFHCS-QHCPKHFHSA-N 471.489 0.752 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1839225500 LAMYDKDCLGJAOZ-CMJOXMDJSA-N 472.498 0.692 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c(Cl)c1 1839425403 ZFPNMTNVVQHSPG-JOCHJYFZSA-N 472.885 0.207 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc6ncnn6c5)C4)C3)c2c1 1839488308 KMKKPSXPKRZBJO-DEOSSOPVSA-N 486.492 0.861 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1839621304 OIDURPDHQZGYGT-QFIPXVFZSA-N 463.604 0.708 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)CCO2)C1 1839726910 NJDXXDDJUHHSOK-OUVPSQHASA-N 487.597 0.669 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)CC1 1839895310 VLMZJEVNCKNAMF-HSZRJFAPSA-N 455.511 0.900 30 20 JCED Cc1noc(-c2ccccc2)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041691 CEMNOAOCGLMFFP-HSZRJFAPSA-N 453.451 0.808 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1840549478 RBBLKCXIFAMNAF-DPZZJQGRSA-N 470.569 0.378 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1 1840716903 WZXWGSMIAVZVKF-WSCWJOSJSA-N 454.527 0.910 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)CCO2)C1 1840806400 WHMXEKKBRMEXOD-HTAPYJJXSA-N 486.635 0.314 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)CC2)ncn1 1840812408 OVOWSTNPEJOGMF-VWLOTQADSA-N 498.584 0.852 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1840817056 FAUZIYUFLSMBLQ-DEOSSOPVSA-N 493.605 0.593 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)C1(O)CCC1 1840818051 HQWNROUIXCPDBU-MBSDFSHPSA-N 457.527 0.945 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820517 UUJLYDPBPQUPSN-DEOSSOPVSA-N 467.526 0.976 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840835363 KDHIXCOKXMBIMT-MBSDFSHPSA-N 463.531 0.339 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1840906742 IUVKNHCPRARKIT-MHECFPHRSA-N 494.589 0.274 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C1)C2 1840917055 WUQXFKLNVLHYFV-MNFWLRKXSA-N 491.541 0.319 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1841431158 WXKOJRUJFXIADP-AFNVYEKJSA-N 468.551 0.995 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CS(C)(=O)=O)C1 1841620988 WHPHGIPBPTYHJT-HZPDHXFCSA-N 455.577 0.787 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1844288509 DOIIINSVGFUPCW-QZTJIDSGSA-N 479.530 0.601 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844293952 MESCEKWVEFGVNV-WMZOPIPTSA-N 452.552 0.310 30 20 JCED COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 603502158 MBYGKKFDGWNBIJ-UHFFFAOYSA-N 494.551 0.505 30 20 JCED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1 608912503 PNTBBTMBBKEVET-UHFFFAOYSA-N 474.608 0.201 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc3c(c2)CCN3S(=O)(=O)CC)C1=O 726042099 BSYMVOOJZUWWQV-UHFFFAOYSA-N 463.468 0.102 30 20 JCED N#CC(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726575190 GZGHERMFHIALMQ-UHFFFAOYSA-N 457.450 0.744 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(-c3ccc(F)cc3)c2)c1=O 728558095 XLKCBOUQSRQHDW-UHFFFAOYSA-N 483.525 0.243 30 20 JCED COC(=O)N(C)CCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 729775503 AFPKLBYBWWCXFL-UHFFFAOYSA-N 466.516 0.413 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3OC)CC2)sc(=Cc2cnn(C)c2)c1=O 837519604 AWDBDVYCGQUNCS-UHFFFAOYSA-N 492.605 0.914 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2Br)c1=O 838184394 RDJUXWNFVWRVMD-ZDUSSCGKSA-N 480.384 0.973 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)c1 914426095 YDSUUGLDNHWLMN-HNNXBMFYSA-N 453.517 0.997 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCNc3ccc(C#N)cn3)CC2)C[C@@H](C)O1 916520615 KCYVHHSCOZDOIE-HZPDHXFCSA-N 451.553 0.046 30 20 JCED C[C@@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 918872808 SKXYVUHBXFIOSV-MRXNPFEDSA-N 490.582 0.765 30 20 JCED C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)[C@H]1CCS(=O)(=O)C1 919988832 FYBBLMOOAPOZNH-HOTGVXAUSA-N 468.553 0.825 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(C)(C)CN(C)C 1288863904 UNPVILQEYUGXDP-NVXWUHKLSA-N 452.629 0.653 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1300899103 BQCWOPDWFKFDCU-JOCHJYFZSA-N 456.503 0.175 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(C)COC1 1541943087 PKLWXGPKKBLIBG-HNNXBMFYSA-N 460.564 0.518 30 20 JCED N#Cc1ccc(N2CCC[C@H](NC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)cc1 1633898323 ZTSRCUCSEBYCRI-LEWJYISDSA-N 453.543 0.883 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1711049795 XIANJDVEYLYWRS-QGZVFWFLSA-N 458.544 0.546 30 20 JCED CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1711162840 JNSCODLWMWRRMB-UWJYYQICSA-N 461.544 0.751 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1726765368 MXJXITBJBLWKKU-KKSFZXQISA-N 460.560 0.828 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1727225654 RIVTWWHUBHNUPG-RTBURBONSA-N 492.650 0.797 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1747435609 KCIWNYBETHQWRU-QFIPXVFZSA-N 473.603 0.791 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1748298462 LRNGTPREYXPNKT-OAHLLOKOSA-N 485.364 0.898 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1778235682 CCMJHHHZIUFLQN-GQKSHLLRSA-N 476.574 0.932 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779013195 FAYRVJJGMQVCNR-VLGLLOTOSA-N 485.585 0.467 30 20 JCED CN1CCN(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)CC1 1779359325 HEVSHOFAWKCZPA-DDAJKSLGSA-N 462.639 0.610 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2cnccn2)C1 1779470968 JIVIGYMUHKLPPI-UVELEOGVSA-N 459.547 0.700 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1781165781 XJPHTSLFWIRFRO-HOOSLVGPSA-N 494.589 0.576 30 20 JCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=O)COc3ccc4scnc4c3)C2)C1 1782796571 CXDHHXZOZWRNHS-JOCHJYFZSA-N 471.539 0.925 30 20 JCED CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)COc3ccccc3C#N)C2)CC1 1783134859 HFNHKAJKYJWGHF-RCZVLFRGSA-N 469.586 0.698 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)[C@H](C1CCOCC1)C(=O)N3)CCO2 1783564840 NOFIXSWBACSVSI-DHLKQENFSA-N 481.505 0.680 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1 1784411561 KRHZVPUVNWDIGC-VJANTYMQSA-N 478.590 0.799 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1784785073 VPCWPUKZQYKWRM-ATIWLJMLSA-N 464.563 0.572 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1784786193 RUNUTVNLQFHZPW-NXOAAHMSSA-N 463.539 0.122 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4C(=O)C=CC4=O)[C@H]3C2)cc1 1784802674 ZKPSCDOLECSLHK-ACRUOGEOSA-N 464.522 0.786 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1785571509 DPMMWZKOGVPGRN-IIBYNOLFSA-N 471.576 0.168 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC)NC(=O)OC(C)(C)C)[C@H]2C1 1787469764 AIOHMJTYPJTMJL-BCYZHJNNSA-N 467.563 0.544 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(Br)cc(F)cn4n3)C[C@@H]21 1791077739 VBIQTKBJCFDDCS-JKOKRWQUSA-N 494.277 0.312 30 20 JCED COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c([N+](=O)[O-])c1 1791078419 ZWHZRDMJQCLAOC-QRTARXTBSA-N 459.411 0.063 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C[C@@H]21 1791258217 FZWDGPDVDQJZMA-XIVBQZFQSA-N 459.568 0.900 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3I)C[C@@H]21 1791262368 ZYQZBJUHRRXXDE-GMOBBJLQSA-N 464.329 0.926 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C[C@@H]21 1791275896 PSZQFFACUHCTST-BXWFABGCSA-N 485.566 0.834 30 20 JCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1)C(F)(F)F 1792241788 FIVVRKWXOUZXKK-SRVKXCTJSA-N 451.492 0.945 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)[C@H](O)C1 1792450880 IEQMMQGAIXCCOL-KMOPNRPKSA-N 450.536 0.498 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN3CCS(=O)(=O)CC3)c2c1 1794090079 CFLPNUNCICFMGC-BJWYYQGGSA-N 470.555 0.417 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795360692 NZPOYGFVBHAYNF-RCLSDMTESA-N 493.582 0.492 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC)NC(=O)OC(C)(C)C 1797589201 CWIQPCLNLZRNDU-ZBCLNLFISA-N 498.577 0.500 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]cnc1-c1cccnc1 1798491143 NZZVPNXXWOVQCV-BCDXTJNWSA-N 451.531 0.957 30 20 JCED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(CC#N)cc2)CC1 1799642038 RJFKEBQNCRJRBR-IUTQVRIDSA-N 453.543 0.120 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1800709736 HGSSVFWCQJDFBK-BMFAXAFESA-N 492.573 0.933 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1800985857 PTDOJUDJVCSALY-HAEOWDPNSA-N 457.593 0.512 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)C1 1801980943 VBIMMTJWQJHVGV-PJVZLEMVSA-N 476.574 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1802491373 ZQGLCZWWGFJQFT-UKFPXBFUSA-N 450.499 0.203 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1814209070 ZQIOXRJTRCSKQC-YDZRNGNQSA-N 458.563 0.290 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CNC2=O)CC3)ccc1F 1822960168 NJQLNACWAPKWCJ-CYBMUJFWSA-N 470.486 0.860 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cc1cn3c(nc1=O)SCC3)CC2 1825669677 PLIBSDJTXBKLBJ-LLVKDONJSA-N 459.509 0.048 30 20 JCED CC(C)N(C)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829333684 CQOUABSJXWIOOE-VWLOTQADSA-N 484.553 0.867 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1830462249 AQZZLUWPHAMRCH-GBXCKJPGSA-N 454.527 0.473 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1830465416 HFWRVCCTEKQBPI-QFIPXVFZSA-N 456.886 0.957 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C(C)=O)CCO2 1831132590 BDUWKDTYPWJLTE-MHECFPHRSA-N 479.574 0.975 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)c1 1831463486 JRMLFPBLYZASDP-HTAPYJJXSA-N 463.556 0.617 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C)CCO2 1831727666 PSCIZHHKHVZDJS-NRYAXDJKSA-N 479.574 0.881 30 20 JCED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1=O 1831887369 AZFXEJYHBLDSKU-XMMPIXPASA-N 457.527 0.154 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833030360 VLVVBEJWUYXJMR-JOCHJYFZSA-N 477.587 0.216 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833147965 CPHFSQGAIRNOBP-HXUWFJFHSA-N 457.579 0.578 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CC2)CC1 1833219320 WKQOCKKTZXBTCS-FPYOTAMTSA-N 482.647 0.853 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833400522 YJVLEPBUPKYOGM-IERDGZPVSA-N 451.545 0.767 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833464048 LMVIANDLBCKMBK-FXAWDEMLSA-N 480.606 0.482 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1833465366 BQKTXHIFEGNCNX-IIDMSEBBSA-N 463.604 0.399 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c(O)n1 1833700467 YSAYUPMYMOYKQQ-QHCPKHFHSA-N 470.530 0.658 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccnc1)CCO2 1836180489 MDQQWKGZOQBFAU-RVZOMNRZSA-N 460.531 1.000 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)ccc1Br 1836353680 ZPVXATWEDZKSKB-LJQANCHMSA-N 475.303 0.823 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC2)CC1 1836557538 GPJRYOQQKFCHTE-LJQANCHMSA-N 498.646 0.519 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836980214 JWEBONMYMFLKLY-XXGSHBOYSA-N 453.499 0.263 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1837309005 HAJDFNHWCPGTQB-URXFXBBRSA-N 462.591 0.375 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490756 NZVVGWPDALAFPL-DVECYGJZSA-N 463.575 0.446 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837527382 LZZQOSXNWCGNDE-TZAXTDOBSA-N 469.926 0.522 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838399413 LHIXNAJLSDVUBL-XMMPIXPASA-N 477.602 0.334 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838414104 AXTFGWASIZRVFA-JOCHJYFZSA-N 476.555 0.809 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)cc1 1838733281 XBGNELOMKYNVJW-NZQKXSOJSA-N 454.483 0.699 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(I)ccnc1OC)CCO2 1838768503 JURALFWDMDLMMR-GOSISDBHSA-N 485.278 0.398 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCN(C)C2)CCO3)c(C#N)c1 1839067537 OVNFPOYMGPPMEE-CJFMBICVSA-N 470.570 0.908 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#Cc5ccccc5)C4)C3)CC2)CC1 1839107610 GJKRULYNXDSNAQ-RUZDIDTESA-N 466.582 0.275 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1839175910 KZDLSQMKJSUGPN-RUZDIDTESA-N 487.553 0.772 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN(CC)CC)C2)C1 1839176203 BFMDYMWEFVUICY-CVDCTZTESA-N 453.580 0.930 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1839224677 NCKBTUWACDHHRR-KKSFZXQISA-N 450.492 0.267 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839771999 LTFIZCACONBXPZ-DOWNOZBLSA-N 453.511 0.717 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)ccc1Br 1839865213 NQZNJNGONNEGEV-HXUWFJFHSA-N 479.331 0.656 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)cc1C#N 1840763616 IHJREBRVSQANHV-HSZRJFAPSA-N 468.514 0.707 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840836041 VOFFTNMMVUZGJJ-JBLMXEMSSA-N 481.546 0.943 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840851690 QFHHOMAZDQCENN-ZJSXRUAMSA-N 456.543 0.862 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)CS(=O)(=O)N3CCCC3)C4)c2c1 1845581652 NWFWYUXHBMNVIQ-UHFFFAOYSA-N 456.528 0.677 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845582066 LHHDOYGZNSKINL-GOSISDBHSA-N 453.455 0.746 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1847071505 IAVBGRYMSWHBLA-JKSUJKDBSA-N 480.562 0.950 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 480487815 DKTWPYOLGIARNN-UHFFFAOYSA-N 485.526 0.375 30 20 JCED C=CCNC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)CC1 492354948 SMGMGMNBCDJRHE-AWEZNQCLSA-N 462.494 0.819 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(OC(F)F)c(OC)c3)c2=O)cn1 523863266 QDEYXWSFRROYEE-UHFFFAOYSA-N 475.477 0.974 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccc3c(c2)CCO3)c1=O 589160791 OCMMJACHAFMZCK-UHFFFAOYSA-N 495.582 0.780 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(N)=O 608911075 ICZHHPCDWPZGAQ-UHFFFAOYSA-N 472.479 0.193 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccsc2)c1=O 608913124 WFBSKVZFLPSFKT-UHFFFAOYSA-N 466.610 0.082 30 20 JCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCc2ccccn2)c1=O 726182044 KBGAOVSIHRNJNK-UHFFFAOYSA-N 478.578 0.260 30 20 JCED CCOc1ccc(OCC)c(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(C)c3)c2=O)c1 726963083 YISYQLGHSMSJNH-UHFFFAOYSA-N 453.524 0.679 30 20 JCED CC(=O)N1CCN(C(=O)[C@H](OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 876676378 XNXBLBMFZURBSG-LJQANCHMSA-N 464.544 0.374 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)cc1 918272553 LSCXVNWFGXFRQG-CFRMEGHHSA-N 463.438 0.233 30 20 JCED CC(C)CN1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)C1 1287738382 NXKMXXNNXMZANP-OKZBNKHCSA-N 453.613 0.985 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1314002241 KPYWUZFKCXBKNO-INIZCTEOSA-N 452.562 0.379 30 20 JCED Cn1nc(-c2nnc(N(CCC#N)CC3CC3)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1314930667 JPFMHDWZVSPGFE-UHFFFAOYSA-N 470.559 0.871 30 20 JCED CS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1505135694 QZVUGLSVAHKAML-MRXNPFEDSA-N 496.590 0.562 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1509958127 YLJXIZQFASGLMK-LSDHHAIUSA-N 455.585 0.512 30 20 JCED COC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCC(C)CC1 1517939698 YBNXNTVLYWDDNI-IOBOIYPZSA-N 482.607 0.935 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC)C(=O)C1 1690229396 VIUWFHGYFQEPRZ-CQSZACIVSA-N 491.412 0.578 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1690870570 SXHKNYWRUHYHJO-SFHVURJKSA-N 457.510 0.889 30 20 JCED CCOC1CC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)(N2CCOCC2)C1 1696186100 UKRWJXZWJSCHHY-ZCJKCEENSA-N 499.613 0.600 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)c1 1697020158 YEWFWZMXIWLSGK-SFHVURJKSA-N 453.528 0.949 30 20 JCED CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1710918922 ZXDQYGXTLZPTIG-FFYNTOSOSA-N 457.564 0.375 30 20 JCED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)n(C)n1 1725839145 LKHWVGWJKJFUDI-YJBOKZPZSA-N 452.516 0.143 30 20 JCED CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCCS1(=O)=O 1750647328 LORKLJQXOKPXAD-INIZCTEOSA-N 459.580 0.814 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)N1CCOCC1 1762292831 BRMDSMHZZQHAKN-LJQANCHMSA-N 472.594 0.622 30 20 JCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1763112536 QPJBOBNJPDDDHJ-HOTGVXAUSA-N 459.580 0.499 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778259018 USMBJMVPAHCTMY-CYFREDJKSA-N 479.622 0.533 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1779979234 OMTNIPFFXBGTAT-CHFIUFFRSA-N 453.499 0.581 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783599305 AIEGTXAZHHWKSO-SEPYTNNBSA-N 481.546 0.311 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1783883007 BXPXFRIHZBTXAC-KSFYIVLOSA-N 479.534 0.535 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1784493949 ITUNJSCZJRWRQC-LSTDLKDCSA-N 455.552 0.792 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1)[C@H]1SC(=N)NC1=O 1785378704 MBPIBMDUHYOWGF-OHOGDBNVSA-N 471.539 0.569 30 20 JCED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1786560366 QOOUUXLVGLNEEV-ACRUOGEOSA-N 459.568 0.443 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]nnc5n4)[C@H]3C2)c1Cl 1787270532 JMZMTKZTRVZQFI-NOLJZWGESA-N 482.888 0.245 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1787509822 HJGRSDCCOZIOTR-PTQOGAHQSA-N 495.623 0.197 30 20 JCED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1788565211 AIJCNCKAYAOKDC-CQEAQJRCSA-N 459.522 0.927 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(O)nc4O)C[C@@H]32)c1 1789257415 AYTPYKNZKSBQMZ-KKXDTOCCSA-N 453.455 0.675 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1 1790846834 IMDSQXUDOMHKDJ-HAGHYFMRSA-N 478.590 0.799 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(-c4ccc(F)cc4)no3)C[C@@H]21 1791072683 UNXVSYLWUWUMSK-SZMVWBNQSA-N 470.457 0.876 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1792454064 ZXXYQVYHERNOHK-WBAHDQRJSA-N 457.593 0.512 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cn4c(nc2=O)SCC4)C3)cc1 1792559059 LKHCUQYCZBGQQQ-HATOLVCRSA-N 479.562 0.595 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)C2 1793346592 HFQPNLSZQNUZDQ-ZTENYAIWSA-N 468.959 0.985 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795602285 GPIDOTMZSXWHEK-MXNKGDRCSA-N 487.576 0.744 30 20 JCED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F)C(=O)O 1795995018 NNOYZAJHKSPHQV-YHYOWMERSA-N 469.420 0.238 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796074381 CEMYGCOXVBUFEZ-HGKCTWBKSA-N 453.586 0.749 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1796448247 HZPBGNKUXIDDOT-GVBSGIKUSA-N 459.446 0.755 30 20 JCED Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)cnc2c1 1797068705 ZNCNCRQWPGWOJI-FKMLMQSASA-N 483.525 0.735 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(N)=O)C2 1799321433 BKYSDNUUJNIGLL-ADHGMGHFSA-N 481.594 0.882 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COCCO)CC1 1799338896 FEKDQASMWMRTBF-IZZQQSIFSA-N 480.562 0.126 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)C1 1801980944 VBIMMTJWQJHVGV-RHQZKXFESA-N 476.574 0.888 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)[C@H](O)C1 1801990417 YBDHDCKIUFBYMG-WSRNIBOVSA-N 463.531 0.721 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801996018 ZFXWDOLKVZQUPT-BAYUQKDNSA-N 473.482 0.021 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C)CC1)C2 1802125512 XJGQBKUBAFADGX-IYWMVGAKSA-N 462.591 0.834 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc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c1nc2c(s1)C[C@@H](NC(=O)C[C@@](C)(O)CC(=O)O)CC2 1814985673 OTZQYXQFYWCTEG-FKIZINRSSA-N 451.549 0.953 30 20 JCED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1819476729 FTEPJOQVWHDSDN-VTNJTDAWSA-N 452.408 0.839 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1828923222 XZUCIDOSPSPUFA-YADARESESA-N 484.557 0.335 30 20 JCED CC[C@H](C)[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330690 OGDOYVVTGGAKJN-KDSXSNECSA-N 485.537 0.934 30 20 JCED CN1CCN(C2(C(=O)N3CCOC[C@]4(CN(C(=O)CCc5ccc(C#N)cc5)CCO4)C3)CC2)CC1 1829634817 ZACGMYYAVKURPR-SANMLTNESA-N 495.624 0.727 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1829776867 JAGAREDLICATQH-FUMRIQNTSA-N 492.573 0.359 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829831686 PRPBSKFALJROCL-KDLAUNOPSA-N 491.541 0.686 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831142936 IRDMJNFLLJVTER-DVECYGJZSA-N 459.543 0.806 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2)C1 1831319153 NMFDPOGFLVOEEZ-LAUBAEHRSA-N 459.609 0.763 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)ccc3-n3ccnn3)C2)C1 1831398697 JCIYGKHZHGDTAM-DVECYGJZSA-N 467.526 0.684 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831451640 HQQSWUKEMBBKJO-JPYJTQIMSA-N 477.583 0.628 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1832000518 RLUFKKXBQVGHDK-NRVLJVOLSA-N 479.574 0.805 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncccc3OC)CCO2)C1 1832865520 OKKDEFSUCJUOHD-XMMPIXPASA-N 475.542 0.989 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncnn1C)CCO2)c1ccc(O)cc1 1833846640 RRADDLXKNHIKHL-CYFREDJKSA-N 467.526 0.788 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834388057 DEFYFNJQRBYSIK-JPYJTQIMSA-N 475.546 0.256 30 20 JCED O=C(CN1CCOCC1)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834621442 LCNMRCQHLCBKHW-HHEUTOACSA-N 465.595 0.419 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)c1nc2ncccn2n1 1835351378 HEYJVDYPVCNROH-UVPCLOGWSA-N 484.561 0.839 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNc1ccc(F)cc1)CCO2 1835576917 IQOCNKNZNMTFRB-XBKFQHLESA-N 460.506 0.552 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)c(C#N)c1 1835707291 ZIRCSUWWWPRNJH-NOZRDPDXSA-N 479.537 0.661 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)o1 1836027646 MVGRTOKIPKSXLC-JOCHJYFZSA-N 455.471 0.328 30 20 JCED Cn1ccc(=O)cc1C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1836108472 BHCVPRPUPZJSOK-UHFFFAOYSA-N 456.591 0.852 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)c1ccco1 1836125519 XDAYUYVHYJZBHN-DEOSSOPVSA-N 451.479 0.518 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)CCO2 1836259814 KZIXJRXEEPONLB-QHCPKHFHSA-N 455.515 0.526 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1)c1ccccc1 1836674260 LYWPTLVKTYBQPQ-SQHAQQRYSA-N 482.625 0.887 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836971548 WVKGZBBAPYFGLN-PTJKWTKHSA-N 477.518 0.265 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1837392595 FLANPJWJZCMOGY-KHOMTPLRSA-N 477.602 0.807 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1837403721 ZFHOWUSIZQLTKS-SAHWJRBASA-N 469.579 0.929 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1837403918 WEQYBLRKYCFCBD-KOSHJBKYSA-N 457.527 0.824 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1837445326 POZJFTXCBVNUBE-SJUCLPJRSA-N 481.557 0.809 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837488504 IHDVJBHPXLNPDT-RUZDIDTESA-N 484.553 0.809 30 20 JCED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c(F)c1 1837488650 NHPVRXZWNXSOMZ-DEOSSOPVSA-N 475.517 0.998 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837489610 OAEQTCMKYMELRM-QFIPXVFZSA-N 464.950 0.692 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837490678 LARYLOPRDFQULM-RUZDIDTESA-N 470.570 0.916 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837563029 IEDVEWGOWHDPIK-ZREPJCBASA-N 452.471 0.511 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837680528 NSPIOZGCMQDJBJ-MHECFPHRSA-N 472.542 0.698 30 20 JCED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838595395 NOVHZKNKDDUCNV-NRFANRHFSA-N 451.907 0.945 30 20 JCED CN1N=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2Cl)CCO3)CCC1=O 1838595667 YIWICBASUFRNST-QFIPXVFZSA-N 473.917 0.890 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1839117075 XUMQELXKRSYALE-XLQQFJOYSA-N 460.575 0.320 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138596 JMKWNMGCGOKQTK-JOCHJYFZSA-N 487.619 0.903 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1839176588 XEENVCNHQNOWLZ-QFIPXVFZSA-N 462.503 0.081 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)ccc1F 1839186549 BFJFZQYLENVLQH-JOCHJYFZSA-N 455.446 0.506 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187158 NDJPFQUFIDOSAX-XMMPIXPASA-N 485.516 0.853 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1 1839190965 NRCKJNFBFYFDFF-HYBUGGRVSA-N 475.542 0.960 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1839224790 ORXWSYYVVGCHKG-SYNHAJSKSA-N 453.565 0.270 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269834 CYFGNYMXRUGCBD-AJXVFOQNSA-N 453.536 0.523 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840421194 KWUDPGVUPBGGAZ-PMAPCBKXSA-N 492.577 0.765 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1840820327 KFFPDRUFEKLHAB-HSZRJFAPSA-N 452.467 0.808 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840843482 RSWUFBCGTINKOZ-GOTSBHOMSA-N 465.547 0.540 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1840915515 LRCUJGQCSBYZRX-SBUREZEXSA-N 480.562 0.015 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(N)=O)cc1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194845 WBFQKAOKMGEKSN-GOSISDBHSA-N 498.536 0.513 30 20 JCED C[C@@H](On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)C(=O)Nc1cccc(C#N)c1 20917892 ZSYPPXOIPVYXBV-CQSZACIVSA-N 456.484 0.780 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1=O 22282744 XZYNQJZSTFVYLE-OAHLLOKOSA-N 479.415 0.850 30 20 JCED COc1cc(OC)cc(C(=O)N2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)c1 29721106 FLQKJNUGOQDIDP-UHFFFAOYSA-N 482.541 0.979 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(Cl)c2Cl)c1=O 480246589 FAGKMHBRXWWNCQ-UHFFFAOYSA-N 467.378 0.705 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)CC2)c1 516032068 SMEFOFBJZFUKCF-UHFFFAOYSA-N 462.510 0.642 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(F)c2F)c1=O 518065569 GCDKNSIQVSSHKT-UHFFFAOYSA-N 460.506 0.325 30 20 JCED COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 521329924 UZZNDDPCZGGZJP-UHFFFAOYSA-N 486.506 0.810 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 522537835 QDQSXXPWJNWFCK-UHFFFAOYSA-N 462.487 0.034 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)CC1 589797334 GBGQAHGYVJUEAF-GOSISDBHSA-N 468.491 0.895 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccnc3)c2=O)cc1 609038020 BYGNILXCRZDIPP-UHFFFAOYSA-N 476.558 0.918 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c2=O)cc1OC 725762772 SREKSRFXYNUDTO-UHFFFAOYSA-N 475.567 1.000 30 20 JCED CC(C)NC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726404229 UCZRDEPHDFFGMF-HZSHHLKBSA-N 481.600 0.327 30 20 JCED O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N([C@H]2CCS(=O)(=O)C2)C1=O)Nc1cnccn1 730727783 VQSCVZCNKBGACG-DMOAKKIOSA-N 474.568 0.930 30 20 JCED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 918244344 UAPLOEFOIANDHS-IHCLVQKISA-N 479.603 0.911 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 918400954 RALGKHOPBQSJDN-LYBHJNIJSA-N 490.586 0.798 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1510175118 LZZYLCSCYGRLJJ-HOCLYGCPSA-N 458.610 0.843 30 20 JCED C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1512554708 KGEBHWLHOGXQJK-KRWDZBQOSA-N 462.576 0.930 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1519166966 ZJQCBMDFYBWYOP-SFHVURJKSA-N 464.548 0.731 30 20 JCED CS(=O)(=O)N1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)C1 1519530642 PCKFXAPPRKKTFM-LIRRHRJNSA-N 462.511 0.649 30 20 JCED N#Cc1c(Br)cccc1OCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1539865622 LZANVWGSNCDEEZ-UHFFFAOYSA-N 451.321 0.703 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCOC[C@@H]1C 1541942578 GPQOXACXWSXFJS-LISAXSMJSA-N 451.597 0.737 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1611712144 YYLSZRIJLHLYRP-ZBFHGGJFSA-N 474.522 0.990 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1617384794 RBFHNHSULSGNSV-KRWDZBQOSA-N 450.521 0.630 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1618842281 NZTLOOGDYNYIKO-UHFFFAOYSA-N 483.602 0.812 30 20 JCED Cn1c(O)nc(N2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)cc1=O 1647909563 JENJMSXMOMMJNS-KBPBESRZSA-N 456.890 0.759 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1693872410 MWILDTINNJYBCT-LUQKVYGDSA-N 476.559 0.464 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1710295862 OOPKQBDKEOMMKB-UEXGIBASSA-N 467.615 0.896 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)CC1 1722484729 JQNIUPAAQBNTKC-HNNXBMFYSA-N 493.428 0.288 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1cccs1 1761483434 YGVGYXJAUQZNPF-SJKOYZFVSA-N 455.541 0.822 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)(F)F)C1 1761545730 XKSRTKZRPAHEHM-DYVFJYSZSA-N 493.512 0.420 30 20 JCED O=C1CN(c2cccc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)n2)CCCN1 1779016201 QLWJFRAFOSVWQK-VMBKIOOXSA-N 497.600 0.323 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779106185 XSGKPHCRTZGHJP-AHOFSBNQSA-N 451.549 0.372 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138517 YTWGKSJZARPDLA-GVFUYMABSA-N 481.546 0.225 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1779337735 AITXRUDBVLLXDX-DCLXLUIPSA-N 462.635 0.853 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780037762 KLGQYWXWXPDQKE-PRCFCKQXSA-N 453.499 0.255 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1780334652 YLSFZOBRVBDFOM-WLENULPWSA-N 473.530 0.558 30 20 JCED CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1 1781206682 ZVIRWORYYCXDJI-XMSQKQJNSA-N 473.555 0.997 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781301376 ZIHWJDKKPGSVCJ-FYSMJZIKSA-N 480.500 0.678 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1)[C@@H]1SC(=N)NC1=O 1781963015 AUADLTRKIFADSB-LBJGKRIESA-N 459.503 0.943 30 20 JCED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785669567 MLCBQDFVGMXWHS-JOCHJYFZSA-N 450.536 0.472 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1786858158 MHHJSZCXWYWOKC-FHWLQOOXSA-N 456.547 0.073 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786893953 KCDRNKJLRJVIFG-YZZQMHEZSA-N 493.605 0.028 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)C1 1788094065 FGCVMKHVMNZKTH-FKSLSLAPSA-N 464.563 0.888 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNCP(=O)(O)O)C[C@@H]32)c1 1790224556 PJBZRVANQFANGS-QRTARXTBSA-N 454.395 0.015 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](CCN(C)C)(Cc1ccccc1)C(=O)O)C2 1793347234 ABJAKMGUXVUTBX-PVLCVKBISA-N 499.608 0.880 30 20 JCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1793565583 BBLRARIZKNRUAH-QXCZDIPSSA-N 492.621 0.819 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOC 1795357538 YTLIZINXVPSSEK-SFNKJDCFSA-N 453.536 0.156 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)ccc21 1795598076 CJXIGGGEHJKKID-XEMDLRDOSA-N 468.558 0.362 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599540 SGOVGUAHJGJFRV-PHXBYCTMSA-N 473.549 0.815 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795645568 MUYFUQVAQSGHLA-KWXDATOUSA-N 494.589 0.336 30 20 JCED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)c([N+](=O)[O-])cc1O 1797741206 OIBRZBSLTYTLJT-PVOHHBTHSA-N 475.502 0.984 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1797808777 QETCQXCSCPVNEK-FAHLKSDESA-N 489.529 0.111 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1797814842 ANZPWYMJAZLJIU-ICAPBPQOSA-N 475.527 0.488 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)cc2)C3)C1 1799196631 MDLIMEGFBSVMLR-LUYSREMJSA-N 484.553 0.989 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NNC(=O)C2)C3)ccc1Br 1799710319 QEYYQMMQIWJTOI-FVCICTRLSA-N 460.288 0.400 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804352868 HHUKUKBVOLCERP-HMFYCAOWSA-N 476.493 0.636 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809661073 IYWXDJFHXICBKM-UHFFFAOYSA-N 455.492 0.641 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811187808 RZSDFXVPUPBOFW-TXPKVOOTSA-N 452.515 0.863 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1826891255 CRCWKAMSWINFIZ-FQEVSTJZSA-N 481.663 0.618 30 20 JCED CN(C)C(=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1 1828921280 RBQYGNNJFMBXHU-DEOSSOPVSA-N 467.526 0.830 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829041901 GQCXIRRCDXPWCN-FDDCHVKYSA-N 470.530 0.799 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310490 ZMBJNTNORZWSIL-FDDCHVKYSA-N 453.499 0.488 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1829465607 ABRWYCFSPJKUGK-CYFREDJKSA-N 454.527 0.986 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1829748849 JDFOXXHVTZMZKH-OAQYLSRUSA-N 456.528 0.764 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1829771548 VGJRYDIJJRNISJ-UZQCKINESA-N 456.474 0.626 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829901208 XTLZWWLKQZMFAS-HSZRJFAPSA-N 451.483 0.670 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5ncccc45)C3)C2)cc1 1829902421 QQXMBFDRLZHXFA-XMMPIXPASA-N 460.494 0.914 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830462830 PZASWZOPUVFWBP-BJKOFHAPSA-N 473.526 0.563 30 20 JCED COC1(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CN(C(=O)OC(C)(C)C)C1 1831213584 RJDFSYPRTJTDCJ-VWLOTQADSA-N 491.585 0.882 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1831433070 FYQUQCYLUBEFHT-HOYKHHGWSA-N 458.559 0.431 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831447717 YSQJQUVZKHFTMY-QFIPXVFZSA-N 477.539 0.543 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCNC)C2)C1 1831998641 OYNQJUPMLFJOQZ-JPYJTQIMSA-N 468.595 0.912 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246731 MIDKMUAZJTVUFS-KRWDZBQOSA-N 470.416 0.781 30 20 JCED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)CCC1=O 1832380533 OZPZXHLZWUXTRA-JOCHJYFZSA-N 473.917 0.890 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832521498 CROCQDFRISTNHN-GXQZLCMTSA-N 467.563 0.771 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)CCO3)C1 1833024792 XRZJQPQDSYLRCW-CMJOXMDJSA-N 458.515 0.415 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833452061 UDPQKAGMIXBEBP-OAHLLOKOSA-N 464.592 0.399 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1833607442 NUPHEVCJBIMSFE-ZHRRBRCNSA-N 464.519 0.823 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)O2)C1 1834754162 XACOHBHNPGOATP-UZUQRXQVSA-N 478.546 0.525 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835755320 BHADFVDOYCHEDI-LWROZRRASA-N 493.605 0.525 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCC(OC3CCN(C(=O)C#Cc4ccccc4)CC3)CC2)N1 1837115342 KJOONGHUVCTIIB-FQEVSTJZSA-N 452.511 0.635 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C)c3ncccc13)CCO2 1837186898 NEEOSGBDGFSVGE-POUSAUBHSA-N 467.526 0.502 30 20 JCED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(C)C 1837216895 IZEBPLUSWVHYNV-AVRDEDQJSA-N 452.552 0.312 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1837397174 RWTWRQNGVQSXIV-HXOBKFHXSA-N 457.531 0.681 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1838582542 SEEPSAZKVXJRHD-HSZRJFAPSA-N 481.465 0.439 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(C#N)cc5)CCO4)C3)cc2C1 1838953310 YKUFIYXIUPTLLF-VWLOTQADSA-N 478.553 0.974 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)c(C#N)c1 1839131372 DKPRGMIPGBZHTP-XMMPIXPASA-N 465.510 0.598 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)c(C#N)c1 1839131831 BOSBXVINQZTCJZ-URXFXBBRSA-N 499.593 0.592 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)ccc1F 1839188139 MUKHPRVQIVKVMH-NRFANRHFSA-N 474.518 0.607 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)C2)C1 1839809601 AWUMCWQGFRNZAN-HSZRJFAPSA-N 483.562 0.024 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)CC3(F)F)C2)C1 1839809779 LEEFBTOLMDHYCZ-HRAATJIYSA-N 471.501 0.968 30 20 JCED C[C@H]1[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCCN1C(=O)OC(C)(C)C 1840043854 XRQLIBDQWDGFOK-LLJLJFOGSA-N 493.557 0.566 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOc3ccccc3Br)C2)C1 1840044097 KXLALLUKWXPJJS-OAQYLSRUSA-N 495.326 0.762 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)CCO2 1840048087 PZYWAGNBNXTKJX-GCHFZTJISA-N 491.585 0.615 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840294702 OAVNDERRSXFXAY-NTKDMRAZSA-N 481.590 0.912 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2)C(=O)O 1840713381 BZBQWABLPDQSSF-ZDWFVDTJSA-N 458.515 0.446 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1840819030 LCCJIYNODUZKRY-QHCPKHFHSA-N 452.467 0.808 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1840840771 MUQDWQIBBUUTCK-RUZDIDTESA-N 467.522 0.471 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@@H](NC)C(=O)O)C1 1842952428 RTJIUMUUVWGVFC-DLBZAZTESA-N 464.563 0.949 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O)Cc1cccc(C#N)c1 1847448507 HBVVKUXDBSHXRE-QYZOEREBSA-N 472.542 0.897 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848072054 XMFHLVOSHNOIHS-FHWLQOOXSA-N 498.646 0.778 30 20 JCED CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)S(=O)(=O)c1ccc(C#N)cc1 23133899 GNKUGERTXLJYCN-UHFFFAOYSA-N 498.608 0.578 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2cc(C)ccc2C)CC1 502053950 BCXRVXIHRSCQJA-UHFFFAOYSA-N 476.606 0.917 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cccc(OC)c3)c2=O)cn1 523182443 MENYTWHOAKPQRO-UHFFFAOYSA-N 453.524 0.390 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCNS(C)(=O)=O 524281229 MQGRRKMYTOHGGR-UHFFFAOYSA-N 462.597 0.105 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(N)=O 608912322 TXIWBPVXELHBTM-UHFFFAOYSA-N 451.335 0.827 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCNS(C)(=O)=O 608913142 YEMVBPFRMXLQSY-UHFFFAOYSA-N 468.988 0.142 30 20 JCED COCCOc1ncccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609086730 WWJQWBNTGVWJFM-UHFFFAOYSA-N 473.511 0.450 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 728533216 DBOIIBUBJOUQAP-CYBMUJFWSA-N 461.316 0.327 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NCC(C)C)ccc2Br)CC1 728536344 WRCLOERHEMZGBD-UHFFFAOYSA-N 499.431 0.891 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 729257425 DIEPTEQUEAZWMR-UHFFFAOYSA-N 458.540 0.655 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 731233197 SLSOGOSETHWERA-UHFFFAOYSA-N 451.552 0.830 30 20 JCED COCCN1C(=O)/C(=C(\Nc2ccc([N+](=O)[O-])cc2C#N)[C@@H](F)C(=O)OC)C(=O)NC1=S 814339394 KYOAVMSPQZFSKZ-NXXVSJRMSA-N 465.419 0.533 30 20 JCED CN(CC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)S(C)(=O)=O 915388464 PKRVEOMMSLWSGB-CQSZACIVSA-N 452.533 0.791 30 20 JCED CC(=O)Nc1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 915391504 MAMGTPJRXWUDMF-UHFFFAOYSA-N 477.524 0.663 30 20 JCED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)C2=O)cc1 916775634 YVXJBVWQBQECOU-NRFANRHFSA-N 456.480 0.980 30 20 JCED Cn1c(CCC(=O)[C@@H](C#N)C(=O)N2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 916866762 FVYJQCUDTQUOQD-QGZVFWFLSA-N 473.555 0.858 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCCN2CCCCCC2=O)cc1 918818098 XMBASSPWCYTXAS-UHFFFAOYSA-N 450.517 0.289 30 20 JCED COCCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 920786299 DIUPLCYMPIDDQR-CLCOLTQESA-N 465.576 0.665 30 20 JCED N#Cc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)cn1 1154224416 XFFJJQHHXBSUPB-UHFFFAOYSA-N 454.512 0.036 30 20 JCED COC[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300985034 NKUSHLIFLQQKQN-MRXNPFEDSA-N 455.567 0.923 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1303461379 WAHWVNRGBDYNRL-UQBPGWFLSA-N 497.600 0.915 30 20 JCED CN(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1314660646 XHBHZWWLHGXSDX-MAUKXSAKSA-N 455.560 0.537 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 1359085044 ZNHYYWHIDYFQNK-STQMWFEESA-N 477.385 0.221 30 20 JCED Cc1nc(CN2CCN(C(=O)[C@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 1465378166 SBLNZGLKVUYRAE-KRWDZBQOSA-N 459.576 0.911 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1712454362 NFYYJIBIMNFJCX-DYESRHJHSA-N 484.623 0.919 30 20 JCED CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1769066408 VAXKEKOSXPFYGO-HXUWFJFHSA-N 485.614 0.994 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)CCO2)C1 1778967326 FJEVXPIIWWPKKI-XFAGBWLFSA-N 479.574 0.968 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019642 SKJWYHXBTAMDIK-XTVKVDEJSA-N 481.594 0.829 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779098164 CQJNWQUFUOMBKQ-REPVNPSESA-N 498.577 0.621 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(CCO)CCO)C2)c1Cl 1781838852 MFDAFCAQNDCWRV-AUSIDOKSSA-N 478.977 0.626 30 20 JCED O=C(CN1C(=O)C=CC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1782316038 QWYASDNJIXJLKN-WZONZLPQSA-N 457.527 0.124 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C1)C2 1783567885 GPBSUDVKHVIUFV-CFLDLGCGSA-N 461.515 0.692 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1783731573 IPCJLEASRXZDJE-CYFREDJKSA-N 471.558 0.783 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1783835305 FBVLDWKQHJCTCK-IERDGZPVSA-N 486.591 0.448 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)c1ccc(O)cc1 1784019752 QNJUMGBUMPCYRQ-HOYKHHGWSA-N 471.510 0.262 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784540070 WLLITJFIPHTWMP-VGSWGCGISA-N 460.535 0.415 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)cc1C#N 1785193616 CLEPRZBUJWTJSQ-GAJHUEQPSA-N 469.498 0.387 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1785424932 DQSXSBRXKGRZSA-OPAMFIHVSA-N 451.520 0.686 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1785577234 VLLUVGUTMMPQID-HOIFWPIMSA-N 483.587 0.310 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786693328 LMBGUVQIYPURHN-JTEXOJLKSA-N 496.630 0.932 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)c4cc(C)on4)[C@H]3C2)c(C#N)c1 1788670020 LPSKPHZBYKHUBE-XJABCFGWSA-N 495.536 0.816 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789926992 NBJOCHMIBXTIGE-JAYGYPRLSA-N 494.589 0.100 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790176630 YESVYKHBFDOXJZ-IMPIEMTGSA-N 456.540 0.610 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/C(=O)c4cccs4)C[C@@H]32)c(=O)nc1O 1792131243 JDOCWGHDFALCFA-QOSFWDOTSA-N 486.550 0.738 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 1792256531 FISXVYLTRJMMKZ-BMFAXAFESA-N 489.573 0.939 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1793313321 IAVOLESUCFXQQC-KUZCPNRJSA-N 464.544 0.098 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1793599946 MLEDVBYXMQQUIX-SIRPWMCASA-N 463.539 0.293 30 20 JCED O=C(O)C(F)(F)C(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1793728407 LIGGDTYDHICFFG-KVSKUHBBSA-N 486.268 0.286 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794427566 ODQWOEKXCVQYRE-CCWDJLKJSA-N 465.528 0.198 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOCC2)c(C(F)(F)F)n1 1795468398 AEHBVNVQOOHDSM-CCWDJLKJSA-N 481.475 0.898 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1796443462 KBCJIBAFZWGBNV-PPAUVCFJSA-N 457.508 0.392 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(CCOC)n1 1796597743 LAUFZKBSTDPZQC-PIKOESSRSA-N 489.573 0.649 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815956 YXWSIRUTETXJJS-CPPCWWPSSA-N 474.514 0.875 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1799307063 ZMKYCQNJZPWLRX-DMNLGMSASA-N 495.573 0.457 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C2 1800454967 VAPUCYOTDTWRIP-DFGXFYAUSA-N 464.519 0.015 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1800985860 PTDOJUDJVCSALY-NYXISSTPSA-N 457.593 0.512 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C)nc1)C2 1802124576 AWNSJSIHWWVNOM-RDGPPVDQSA-N 457.531 0.905 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1803571188 PTGOJDKNRQLMGG-IMFGXOCKSA-N 455.515 0.949 30 20 JCED Cn1c(=O)c2c(CC(=O)NC[C@@H]3CCN(C(=O)CC#N)[C@@H]3c3cccnc3)csc2n(C)c1=O 1807334928 WJAMRZMCQTYOPW-MGPUTAFESA-N 480.550 0.856 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828956725 RXCYACGKHCWEJJ-XMMPIXPASA-N 470.574 0.679 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cnc[nH]3)C2)C1 1829332528 PZYARKQXQYTDAZ-QHCPKHFHSA-N 465.466 0.563 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1829760101 RNTNIIVJPBWDNU-NRFANRHFSA-N 472.527 0.600 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1829762572 LXBOQVCIWPDZOF-LJODHNBYSA-N 496.564 0.174 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c(Cl)c1 1829958967 CBNUXOHTCXKXGA-ZHRRBRCNSA-N 460.918 0.808 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1830468772 YHLBBNLZTOOIOE-QFIPXVFZSA-N 459.886 0.942 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CC)CCO3)N(C(=O)OC(C)(C)C)C1 1830529026 FPHXAJDCLYNRFG-YZZKKUAISA-N 467.563 0.779 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1831213715 ULEAKGVXTHLQGM-RUZDIDTESA-N 451.523 0.902 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)nc2ccccc21 1831213722 UNSRILGOPFSKQA-XMMPIXPASA-N 450.495 0.417 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(Cc3ccccc3)C(=O)OC)C2)C1 1831402249 RSQWXXMFLTUMRJ-CJFMBICVSA-N 487.553 0.750 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1831437729 HFFPNLIQIDOAJI-MBSDFSHPSA-N 467.563 0.902 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnco3)CCO2)C1 1831942666 DKHYXPWGXULBHG-KSFYIVLOSA-N 462.503 0.661 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1832000113 HEKBRBLOIRHDCC-MBSDFSHPSA-N 466.579 0.474 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1833615200 WWAHJLUAMIXHMG-UHFFFAOYSA-N 484.597 0.572 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c(O)n1 1833698873 OXJKOBXMXBUYGH-JOCHJYFZSA-N 456.503 0.268 30 20 JCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)cn1 1834530628 JNTHFEWOPSLMBW-HSZRJFAPSA-N 469.473 0.809 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)C)CCO2)NC(=O)OC(C)(C)C 1834946247 PCMLYLMIIDHHQW-JPYJTQIMSA-N 468.595 0.864 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835642849 YYEADLXEMUEFEC-HXOBKFHXSA-N 490.561 0.198 30 20 JCED CC(=O)Nc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835677173 KSNZBBMDTWDQIH-VWLOTQADSA-N 485.585 0.926 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1835712966 CBPOAMIBOQNZDD-APWZRJJASA-N 451.612 0.839 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836776137 DDAMIQHLGLFPJY-LAUBAEHRSA-N 465.576 0.041 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1837314123 IRDGQOAPMYWIEJ-MBSDFSHPSA-N 460.531 0.482 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2)C1 1837500229 WKWHCSBBTKAXIH-AUSIDOKSSA-N 468.547 0.930 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524566 JSVBSMRWTOPCJG-DTXYYNOZSA-N 465.507 0.028 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837701577 SEXMRINJPXHJBX-MZNJEOGPSA-N 470.526 0.256 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn(C(F)F)c4=O)C3)C2)c1 1838737993 JMWVOGRCXUQKLR-OAQYLSRUSA-N 461.425 0.827 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1839175692 ZFIBAFINBQADRG-DEOSSOPVSA-N 489.525 0.930 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)C(=O)CC3)CCO2 1839527499 KOAZQTHTYOGYBR-CNXHMKESSA-N 467.522 0.744 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3Cc4ccccc4N3)CCO2)C1 1839734898 BKAZXGCWENHPNF-RDPSFJRHSA-N 455.559 0.761 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H]3CNc4ccccc4C3)C2)C1 1840041967 SANRCWWKYUDFBQ-MHECFPHRSA-N 455.511 0.595 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1840176899 XNDXYXJKDXPWSF-QHCPKHFHSA-N 493.582 0.354 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)cc1 1840204538 HQFDFMKIAWKPMX-HXUWFJFHSA-N 468.432 0.501 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)c1ccc(O)cc1 1840220964 MFHJWVBUEVARQD-DFBJGRDBSA-N 480.521 0.743 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c1 1840380924 BSRNEZBUYMPNCR-NRFANRHFSA-N 472.527 0.547 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCNC(=O)OC(C)(C)C)CCO2 1840905329 GNTVCBWZXHFWDP-HMLKYZKVSA-N 494.589 0.606 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840906423 BHNLRCRNZRTWSY-YADARESESA-N 459.543 0.773 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(C(=O)O)ncn2)C1 1842218262 KXFKSNWLLDSLRK-AWEZNQCLSA-N 457.487 0.908 30 20 JCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cc4n(n2)CCCNC4=O)C3)c(C#N)c1 1845139029 TYGZOZUGPGLCSB-UHFFFAOYSA-N 462.510 0.957 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N[C@H](Cc4ccccc4)C3=O)CC2)cc1 16877304 PVKWWOPLUJUDKR-HXUWFJFHSA-N 453.524 0.985 30 20 JCED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)c1 116389242 WLFSWMFNINYCLP-QFIPXVFZSA-N 470.507 0.672 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1C1CC1 410013317 UEWNRPVHIJCVQI-UHFFFAOYSA-N 485.562 0.679 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 495284427 WDFBNYSGRBNRDI-GJZGRUSLSA-N 465.532 0.004 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(CCC#N)CCN2CCOCC2)CC1 499333937 WAWZAPKVSNAODK-UHFFFAOYSA-N 453.565 0.767 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccnn3C)c2=O)cc1 502055096 SXZVXKWJLCUZFH-HNNXBMFYSA-N 467.551 0.685 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccc(C)cc3)c2=O)cn1 523862662 BGYKLUZLTAJBAI-UHFFFAOYSA-N 492.605 0.375 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)Cn3c(=O)c4ccc(C(F)(F)F)nc4n(C)c3=O)CC2)o1 603724713 VWIJKFPVEMBGBW-UHFFFAOYSA-N 477.403 0.631 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 729674528 JDWGWUCGQVENDN-UHFFFAOYSA-N 490.563 0.424 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCN(C(C)=O)CC1 730026098 WIIYZPZULJWIPS-QHCPKHFHSA-N 454.483 0.385 30 20 JCED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCC[C@H](C(N)=O)C1 913173873 RFAVGECXWWVNAK-YJBOKZPZSA-N 450.517 0.128 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc3ncccc3c2)c1=O 916198255 IELZXYNMJZACIG-UHFFFAOYSA-N 493.589 0.056 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917760237 AOWITYOKSUYBKG-UHFFFAOYSA-N 472.615 0.223 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 918452030 IPNQZZHLNPEHDT-ITYLOYPMSA-N 487.542 0.552 30 20 JCED CS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1316350395 UGZSKIZXFRTVML-UHFFFAOYSA-N 457.560 0.643 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1316360041 OYQALLAOGMFQMM-QGZVFWFLSA-N 466.589 0.769 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3COC4(CCOCC4)O3)CC2)cc1 1469542740 NDXOSHOBAGPEHD-QGZVFWFLSA-N 450.517 0.496 30 20 JCED CC[C@H](C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1496165201 OGBVFRBMEROJFW-DFQSSKMNSA-N 494.666 0.518 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1541675656 SGPVPCQKTIMAQT-IAGOWNOFSA-N 484.527 0.856 30 20 JCED N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)N2CCSCC2)C1 1555984426 SZUXLXCCBSQFPK-IBGZPJMESA-N 494.578 0.746 30 20 JCED CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1=O 1614873491 YOVIBXIJVYGFDK-JOCHJYFZSA-N 472.571 0.815 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 1628638705 YLYPHKMVVSTBGQ-INIZCTEOSA-N 456.524 0.911 30 20 JCED COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1698034508 IYQQJBZUZZXKPE-IBGZPJMESA-N 489.602 0.782 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCNC(=O)c3cc[nH]n3)CC2)c1C#N 1707807825 NRJORHXRQRDMSE-UHFFFAOYSA-N 451.539 0.795 30 20 JCED CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1712757410 OTHJENFMTDADEY-MAUKXSAKSA-N 488.611 0.965 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1723661358 NMHZERFQDMUJFN-UHFFFAOYSA-N 475.575 0.440 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 1741133214 PFRMPYUZDCRWQT-NVXWUHKLSA-N 467.596 0.656 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(N2CCOCC2)CC1 1761478603 NHGVFZJIQYQUIW-MRXNPFEDSA-N 451.597 0.883 30 20 JCED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)n(C)n1 1762400498 LVZYKJNLFTWKDL-FXAWDEMLSA-N 462.580 0.831 30 20 JCED COc1cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)ccc1OCCO 1769857970 KUZYQNORPXJTQQ-KRWDZBQOSA-N 456.503 0.557 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778089830 FVBDCBYCXDQDPK-WAOWUJCRSA-N 472.608 0.727 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccccc1=O)C2 1779422844 PIQOUEIFUXZRTD-FTCHNNNJSA-N 460.531 0.891 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779423166 GTVHCCYXLSTSBK-CPFMVNKCSA-N 467.567 0.737 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)Nc2cccnc2)C1 1779486939 PUFMQGWREMYGCM-WZONZLPQSA-N 456.547 0.816 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C1CCOCC1 1781206633 ZEPSAQVEADMENU-HOYKHHGWSA-N 493.557 0.614 30 20 JCED C[C@H](NC=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1781254283 GUWSWOLQZVLHGW-PDSXEYIOSA-N 472.608 0.553 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781302192 JMJAVFNNFQCNFR-QPPBQGQZSA-N 482.516 0.540 30 20 JCED O=C(COc1cccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1782518838 SVFIEPQSTNWHJE-YNKUXIDESA-N 461.519 0.898 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1783478829 QJUUPVIYIRSJPU-YHDCXSKOSA-N 463.575 0.997 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cnc1I 1783557663 PFNLGKOJIJZROJ-SFHVURJKSA-N 499.261 0.226 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)ccc1Br 1783563386 QRIKXXWDQGWVGP-IBGZPJMESA-N 451.273 0.989 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1783616052 DZSCPYWFICNJTP-SAHWJRBASA-N 462.547 0.880 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783990086 LQRHKIPHFPCIFI-ZOFXXKQRSA-N 459.609 0.806 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)cc1C#N 1785193786 GMKKQFGCGSBVJU-QHCPKHFHSA-N 469.498 0.341 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ncccc3OC)[C@H]2C1 1785242968 IDFBYZOHMJNAKJ-BFBMHGIHSA-N 456.543 0.861 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)NC(=O)OC(C)(C)C 1785306733 MHKXQBBQJYYNQV-HXOBKFHXSA-N 481.594 0.947 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnn3C)[C@H]2C1 1785467904 LUZFNZBLOFOKKU-OVWQWFNUSA-N 460.535 0.325 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786891191 UEXZIULSZOEIMO-FKSLSLAPSA-N 495.621 0.418 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1788573954 WWYMCCNOZVJDMM-XCDZQEORSA-N 483.606 0.815 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C[C@@H]21 1789952552 MCMYCFHJJLMKSC-OLAQMGEPSA-N 488.585 0.946 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCS(=O)(=O)C34CN(C(=O)OC(C)(C)C)C4)[C@H]2C1 1791029331 KUWLQYUOBLVTKU-XSLAGTTESA-N 495.598 0.024 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C[C@@H]21 1791261604 RCKLWIWTNHNPBK-QQCJEOGWSA-N 471.620 0.902 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)S)[C@H]3C1)C2 1791264339 HDYBSWLSIWTOMG-DNCCFGNJSA-N 464.588 0.920 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21)c1ccc(O)cc1 1791333357 SUSORWOFLRQRBL-QIJZPMMNSA-N 452.515 0.556 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCS(=O)(=O)CC4)C[C@@H]32)c1 1791985160 HUNKSTMEWZFRTQ-MQGJPIDWSA-N 488.610 0.637 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)[C@H]2C1 1792275209 DRQIUFAMCIEODM-OLMNGRFOSA-N 459.609 0.949 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)C2 1793340834 PBCGOMAORCRUMR-OHHNFCFSSA-N 459.568 0.725 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)c2C1 1797955513 JQDKCXXYJZMORP-QDMKHBRRSA-N 472.502 0.369 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)NC(=O)OCC 1798270199 RCJHPVCOVHHMNJ-ORDFZIBCSA-N 466.535 0.606 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)c1Cl 1798357208 IHQHBUQZIYPONQ-YWVIFJGQSA-N 454.874 0.618 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)C(F)(F)F)C3)c1 1798579812 VGOQVMPRRPNJSD-XOIINTDNSA-N 454.405 0.449 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1799304362 HUKFBVNQPZLEOY-ZMMAXQRCSA-N 483.562 0.361 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3n1CCN(C(=O)OC(C)(C)C)CC3)C2 1800452280 DOBKSRKMCGEPLM-CWPLJXCYSA-N 457.531 0.513 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C2 1802024276 CYSWJKBXINNXQM-DMUMMCEESA-N 492.573 0.795 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)C(=O)C(=O)O 1810288732 KEQQFQPMVGNPDS-LPSMITJESA-N 458.519 0.102 30 20 JCED C#CCCCC(=O)NC[C@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1813046913 PNOKJPFMYXUZCE-WIYYLYMNSA-N 491.552 0.338 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C#N)CC3)n[nH]2)n(C)c1=O 1817108671 KSGPHJSJZTVHSL-CQSZACIVSA-N 479.501 0.153 30 20 JCED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)n[nH]1 1821780073 JRLJWWNNAHFRJW-BHYGNILZSA-N 472.571 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1823746177 WJPYFVRBUDOQMX-WRAQBFHGSA-N 468.620 0.792 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCN2C(=O)OCc1ccccc1 1828496109 LZDQTDDLPIMXPO-RCZVLFRGSA-N 495.488 0.853 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCN2C(=O)OCc1ccccc1 1828647700 KQVWBXORHNZPML-XMMPIXPASA-N 464.478 0.785 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807761 PTQVFRHTPDPGRJ-HSZRJFAPSA-N 486.598 0.836 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)cc1 1829628371 QDYLTODBENGTGX-GBXCKJPGSA-N 454.527 0.473 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCSCC2)CCO3)c1 1829706003 NRDWFQUNQBXQSC-DEOSSOPVSA-N 472.611 0.996 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1829771538 UXUBKSKBHYTNMH-JOFJTHJASA-N 494.548 0.211 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830676063 YONRBGFKJAXKOI-ODESFVKMSA-N 471.554 0.907 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F)CCO2 1831135899 PXZXGPAKSSQOQB-HYFFOGBASA-N 453.511 0.671 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831999843 DHUMYCALMDETJY-ZHRRBRCNSA-N 465.503 0.000 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)no3)CCO2)C1 1832574958 GOZKUEPAMAXYAB-YADARESESA-N 490.557 0.899 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)c(=O)[nH]c1C 1833389858 RYSAETMTHKTFNI-HSZRJFAPSA-N 451.483 0.642 30 20 JCED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1833501870 DVGVZOXDWJRGNV-QHCPKHFHSA-N 451.483 0.670 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834714400 OGJOZQYTGZZFBO-SREVYHEPSA-N 458.607 0.698 30 20 JCED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(=O)OC(C)(C)C 1835210415 CDISUSMKDLEPBX-RZZUAFPKSA-N 481.594 0.781 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835714084 WRTWVVFRJYBROB-UXHICEINSA-N 452.596 0.282 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@@H](N)C(N)=O)CCO2 1835742574 AGSGTOGZBCVKFB-GCJKJVERSA-N 466.655 0.087 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835768325 YXWFTGKDJFGUNC-JTKSSWDBSA-N 451.568 0.612 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835769083 SBKDJGNMNKPDOO-NPPXVMCASA-N 482.578 0.703 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)CN(C)C(=O)C(=O)O)CC3)CC2)c1 1836126154 VVWJTRIUEUDHEY-UHFFFAOYSA-N 485.541 0.295 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1)n1cncn1 1836520613 OCZJQNKEKNUUEK-YVLOFKIZSA-N 459.528 0.796 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1836866614 WXOMWHITSNDYEO-MRXNPFEDSA-N 459.547 0.830 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCO4)CCO3)ccc1F 1836972279 UKCLXQBFMJNHKP-XMMPIXPASA-N 483.500 0.989 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Br)cc3cn[nH]c13)CCO2 1837140868 JONFTTHFWYBUQN-FQEVSTJZSA-N 491.298 0.483 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837296335 CCMYMLVDLDGITK-ZDDFAFCGSA-N 485.541 0.649 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1837486819 QXZZJZDBUQSRMM-GJZUVCINSA-N 484.549 0.981 30 20 JCED O=C(NCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccc[nH]1 1837489079 ZETGPDQSOGXTKU-RUZDIDTESA-N 486.569 0.290 30 20 JCED NC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cc1 1837567249 ACOJHHVNFQSDAP-HQQBKKBHSA-N 454.483 0.568 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCO2)C1 1838524959 WARDEPIYJCGPTA-QMHKHESXSA-N 473.482 0.638 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1)CCO2 1839052442 WIFITSMQWQULPB-CPJSRVTESA-N 499.520 0.378 30 20 JCED C[C@H](CN)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131236 SYHDBYUVWUAKSX-KOSHJBKYSA-N 493.605 0.578 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c(C#N)c1 1839132866 STMNHKXZCKBEEM-QHCPKHFHSA-N 470.482 0.360 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO3)C1 1839203371 JTFNKOXNSGNXFW-FDDCHVKYSA-N 467.563 0.685 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839220488 PHWBTPGYLGXEPI-XMMPIXPASA-N 497.589 0.223 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccoc3I)C2)C1 1840041901 OIEZFKZJJSVJNX-KRWDZBQOSA-N 488.234 0.042 30 20 JCED CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042027 WAOJNSOKILUYJG-MHECFPHRSA-N 495.573 0.860 30 20 JCED CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045157 UGAKXNAVNBWEJT-NVVBAYIOSA-N 481.546 0.470 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1)c1ccc(O)cc1 1840220154 AFHRICOJLLNJKH-YKSBVNFPSA-N 492.594 0.780 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CSc2nc[nH]n2)CCO3)cc1 1840378623 CTTAESSIYOEROX-QFIPXVFZSA-N 470.555 0.858 30 20 JCED Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1840405614 XMOQGQALKUVUJP-YKSBVNFPSA-N 458.559 0.908 30 20 JCED CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)C(=O)c1ccccc1 1840812461 SHJUBIQETMNQQN-DEOSSOPVSA-N 454.527 0.909 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1841604284 JDKYSAUGTXFRDQ-CVEARBPZSA-N 451.520 0.685 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2c(I)cnn2C)C1 1843602645 FJZNGJSRRLZKNI-GFCCVEGCSA-N 456.284 0.880 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1847068780 GYHHRTKDXQCHSZ-LSDHHAIUSA-N 452.508 0.171 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 11675680 NFMVNYYGAWFWAZ-QFIPXVFZSA-N 478.571 0.897 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)cc1 484262745 BVIZBWIPPPCHNC-INIZCTEOSA-N 454.599 0.969 30 20 JCED COCCN(C(=O)CN1CCN(c2ccc(C#N)cn2)CC1)c1c(O)nc(=O)n(CC(C)C)c1N 497487565 CUQJLRZOCBYAKJ-UHFFFAOYSA-N 484.561 0.255 30 20 JCED N#Cc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)c(F)c1 504971758 WOCVVDLPVYQHNC-UHFFFAOYSA-N 471.514 0.780 30 20 JCED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1C(N)=O 510126366 CDFGOOJJOUROOG-UHFFFAOYSA-N 455.496 0.437 30 20 JCED CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(CC(C)C)c1=O 603795697 DSRNJEGDYCGHOQ-UHFFFAOYSA-N 484.622 0.916 30 20 JCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)c2)c1 604165013 VHNNJIHPDXTBFV-UHFFFAOYSA-N 469.519 0.915 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CC(=O)N(C)C)c2=O)c1 604270360 NKYZQNSPCJVSGS-UHFFFAOYSA-N 497.621 0.064 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(C)C 604434375 LWIQOLKUZGWTRU-UHFFFAOYSA-N 488.522 0.511 30 20 JCED N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 608828485 XKZNWYULFRHQJH-UHFFFAOYSA-N 471.498 0.805 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 609220172 LLUHRRKWLRFDMT-UHFFFAOYSA-N 480.590 0.837 30 20 JCED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1=O 725768155 LAKDRJQIQXGYMS-QFIPXVFZSA-N 468.539 0.752 30 20 JCED CC(=O)N1CCC[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 791849360 DULBYRGDOZPAJK-SFHVURJKSA-N 462.528 0.193 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)cc1 858005495 OANJFAZEQVHMBS-DOTOQJQBSA-N 450.513 0.945 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CC(=O)NCC(F)(F)F)C1 1302480396 RQUUARHPWJLCMS-CQSZACIVSA-N 493.512 0.420 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1316089353 FKSNPROEPSORFV-KNQAVFIVSA-N 475.571 0.856 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1316360302 SYYKSBWMMVTSEK-GOSISDBHSA-N 456.532 0.468 30 20 JCED N#Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2=O)cc1 1318036166 ODBILTLPJMGJRB-INIZCTEOSA-N 467.507 0.670 30 20 JCED COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1503891057 LDVBBVVQWZMEIP-UHFFFAOYSA-N 453.503 0.954 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)N(C)C 1541942768 JZJQJTATJPKCKX-OAHLLOKOSA-N 460.564 0.175 30 20 JCED CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1616578611 MVSZMPWSZFHBTQ-UHFFFAOYSA-N 497.600 0.869 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)=O)C1 1698061854 WJUVVCOYZUXUTQ-RBUKOAKNSA-N 497.622 0.236 30 20 JCED CS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1698319028 UETJCYDKSGVFBV-GOSISDBHSA-N 454.516 0.734 30 20 JCED CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1710918923 ZXDQYGXTLZPTIG-TWLIBXNISA-N 457.564 0.375 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1711292608 OIOQODLGSZRRRY-FOIQADDNSA-N 467.596 0.513 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CCO1 1750014226 IVCZFTWDJARRAF-HXUWFJFHSA-N 467.530 0.407 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cnc2s1 1777988642 QOFOGBFECLQYMV-NWBNNPRYSA-N 472.571 0.980 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778002810 GLZDASLVZVIFBK-PMECCGAFSA-N 467.611 0.646 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1)c1ccccc1 1779185455 RRSVKUTTZWLDDT-CYFREDJKSA-N 452.511 0.565 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c(O)cc(O)cc2O)C1 1781026610 BMOCKWCYSYWITK-FJIKSPBJSA-N 459.499 0.789 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ccc(O)nn2)C1 1781465559 CHPGUSKDNADADK-PPZUVTCZSA-N 457.531 0.487 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)NC[C@@]13CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C3)C2 1781593001 DQKZCBAJOREEGZ-NVTAWBTOSA-N 486.525 0.224 30 20 JCED O=C(CNC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1782234358 LIGNDQIFEJSESZ-YMTOWFKASA-N 495.348 0.534 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)C=CC3=O)C2)c(C#N)c1 1782316657 ROARNBLSFJUKJY-CJFMBICVSA-N 480.521 0.548 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(Br)cnn3C)C[C@@H]21 1783530775 CODPCOKWQIYMFE-KIDWBVPLSA-N 480.363 0.634 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C[C@@H]21 1783531523 VJWJAPGYXBHYKB-XTXVLUPMSA-N 488.497 0.761 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)[C@@H](C1CCOCC1)C(=O)N3)CCO2 1783564844 NOFIXSWBACSVSI-RDGATRHJSA-N 481.505 0.680 30 20 JCED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783836571 YHIKONIVOPCXFD-KKSFZXQISA-N 473.592 0.720 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)c1ccc(O)cc1 1784019753 QNJUMGBUMPCYRQ-KOSHJBKYSA-N 471.510 0.262 30 20 JCED COc1cc(N2CCC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C5(C#N)CC5)C[C@@H]43)CC2)ncn1 1784241776 HSXGXBAMSGHFHX-FHWLQOOXSA-N 468.558 0.985 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1785575160 ZCQLBZWZBQXWBK-VFNWGFHPSA-N 467.592 0.750 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)CNC4=O)C[C@@H]21 1786859236 ZJOXSPZLHYPQKQ-VDGAXYAQSA-N 453.543 0.805 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cncn3)[C@H]2C1 1791618816 KXTZSRVEHPCCCQ-SPOLIRPYSA-N 474.562 0.735 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145502 MNNPVENRDUMVOB-HYJFEMIMSA-N 463.556 0.597 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-n3cncn3)c1)C2 1792490587 IDLYNQKOGJEKEH-MZNTUGIBSA-N 450.499 0.329 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792577220 CGOJRGJJJSKXPI-LVEJAMMSSA-N 464.563 0.572 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)C1 1792812908 QKTYMZCVLNGODX-XEMDLRDOSA-N 452.511 0.661 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)C2 1793347909 PDCNCJZCPQVBPU-LWRBVXSGSA-N 491.585 0.639 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1793385609 WLPZRTMZKIIXOA-QEOTZNIISA-N 459.609 0.806 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2)[C@H]1SC(=N)NC1=O 1796421934 JLCXOYDNHMYHCE-NOYSFJLSSA-N 455.540 0.493 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1797707721 WKPZMHJNJARRLK-ZRAXVTTISA-N 485.585 0.184 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798598793 AGELDZKNSSFTTA-HGKCTWBKSA-N 485.497 0.391 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799151307 PSQHNKDGKRKWAD-XRYLAESTSA-N 457.571 0.676 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=S)NCC)c1ccc(O)cc1 1800186855 QMAWOTHSKLHHIV-CROMWVBPSA-N 472.611 0.963 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(S(C)(=O)=O)ccc1Cl 1801917795 OURIFGHWEPMPRC-BKEDOTJMSA-N 468.959 0.985 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC=O)C2)NC(=O)OC(C)(C)C 1801930838 TXJFNLWTXOCGDC-LVEJAMMSSA-N 452.552 0.570 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1802148479 BKRKCMVBCZNCCZ-RPUYLAQPSA-N 483.566 0.146 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1802148776 MAUDGHNTZNCXLM-JTJHWIPRSA-N 499.568 0.725 30 20 JCED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1806768458 KJGYDBWNMWJQKT-DCTBWYRDSA-N 452.533 0.661 30 20 JCED Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)c(=O)nc1O 1807151770 OUXBRCROBINSLL-ICSRJNTNSA-N 481.557 0.640 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1810388873 RLRIACKZGXHSQA-OGJPDPHKSA-N 452.471 0.398 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]2c2cccnc2)c(C#N)c1 1812392662 ULNQSHBHGDFYHJ-JPYJTQIMSA-N 493.520 0.753 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1814039691 GHERQIODNVBUHU-BJLQDIEVSA-N 469.542 0.931 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1814060628 VOCFHLKNOGUSJP-SVMVAKDDSA-N 476.493 0.636 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185821 UYSJBAOOMFDXBJ-WUDFEMJASA-N 487.607 0.806 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CCN3CCN(C)CC3)sc2C1 1814574784 NRIKGDVQOQVEEW-MWWKQMNYSA-N 460.604 0.551 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814972808 OVKYWWYJFGDNBF-QWHCGFSZSA-N 470.621 0.665 30 20 JCED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1823418638 TUOGZEQIIGCXEQ-OAHLLOKOSA-N 466.502 0.263 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824899637 AOCVBCBLRNJLGZ-IBGZPJMESA-N 458.559 0.857 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N[C@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)C[C@H]1CO2 1825669682 PTBWKUQUPKRCJC-MZFXBISCSA-N 490.538 0.922 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399637 DCDMXBDEGYFGTC-YOEHRIQHSA-N 458.523 0.847 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnnc1)CCN2C(=O)OCc1ccccc1 1828694755 OTDSAQHGMJKXCL-XMMPIXPASA-N 477.477 0.630 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCS(C)(=O)=O)CCN2C(=O)OCc1ccccc1 1829410527 XWBWSMJYTKRNOG-QFIPXVFZSA-N 461.540 0.506 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632187 SQPUFPSBNFZVIW-MHECFPHRSA-N 471.558 0.655 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1830425147 BHLWIJOXHOOQMM-XMMPIXPASA-N 470.526 0.527 30 20 JCED CC(C)(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830629770 NZAYDOJKJJRYGT-WMZHIEFXSA-N 455.515 0.912 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2 1831096785 VCEWAEREPUOBMU-WMZHIEFXSA-N 467.563 0.503 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC(c4ccccc4)=NO3)CCO2)C1 1831255458 QHLVUBKQFGXFJB-PXDATVDWSA-N 483.569 0.918 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccc(N(C)C)c3)C2)C1 1831387495 QGBAUQBDYWLHSV-DVECYGJZSA-N 459.543 0.626 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1831427269 REHQXJYHUSNBSG-KOSHJBKYSA-N 470.526 0.827 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1831491098 VUOWCONEMNMFJL-PXNSSMCTSA-N 477.649 0.069 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1832000451 PPHANHHIBKQWIM-CQUCDXOQSA-N 494.589 0.952 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832361598 XFWBVLFRAPNKHH-KBMIEXCESA-N 491.585 0.743 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(N(C)C)o2)CCO3)c(C#N)c1 1833901103 QTZBQWWJFNGYFM-DEOSSOPVSA-N 483.525 0.934 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C)nn2C)CCO3)c(C#N)c1 1834164747 BYKWNTUOUPIUDC-DEOSSOPVSA-N 467.526 0.922 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C1)CN(C(=O)OC(C)(C)C)C2 1834767883 ZKXQENRPURYTTM-HSZRJFAPSA-N 488.545 0.654 30 20 JCED COCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1834978225 HZFMRTZFQBFOLJ-IIBYNOLFSA-N 475.608 0.691 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CC1 1835403113 BQKNJIDLMWNQHP-MCCBOCGNSA-N 490.626 0.581 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)c(C#N)c1 1835707290 ZIRCSUWWWPRNJH-ILBGXUMGSA-N 479.537 0.661 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(C)C)C(C)C)CCO2 1835896253 BTQMKWOYTGNLKX-OFNKIYASSA-N 453.580 0.975 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](C)S)C4)C3)ccc12 1836256159 CIFFSNRFCJWICN-OYHNWAKOSA-N 476.555 0.899 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Nc2cnccn2)CCO3)c1 1837483455 PLTLRWMWFKSUFZ-BXKMTCNYSA-N 480.525 0.927 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1837526760 VNZSSXKRZDCDEK-STSLHBMMSA-N 468.457 0.959 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)cc1 1838951416 PSTYCQLESKGPDY-DEOSSOPVSA-N 478.509 0.272 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1839227527 GJJDYWGPPUJDFT-UUOWRZLLSA-N 473.574 0.641 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)c1 1839420465 KPJWBOFRBMLONX-SIKLNZKXSA-N 473.530 0.794 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532512 JTKNIHIOVIWZEA-ROZQTZPBSA-N 461.519 0.428 30 20 JCED O=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CCN1 1840227720 ZNFYBUKUWBBISV-FDDCHVKYSA-N 459.930 0.674 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ncc[nH]4)CCO3)C2)c(C#N)c1 1840325583 GMIHHDDPEILSDI-XMMPIXPASA-N 467.526 0.922 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840344485 GXTBKVHAZQATCX-NFOSPISASA-N 451.483 0.830 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCC)CCO2)C1 1840526062 XZFRLNZKCKUIAD-JPYJTQIMSA-N 467.563 0.786 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN)C2)C1)NC(=O)OC(C)(C)C 1840795623 STCNIDYJCCYISM-IEGUWTFLSA-N 468.595 0.897 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cnn1C 1840818892 DHGPKFAGYZFGTH-QHCPKHFHSA-N 453.499 0.749 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C)CCO2 1840912545 LKTSDCOHDDCTJU-ZSVMJGIMSA-N 491.585 0.951 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840914037 VNWRBARVNKCJPY-ZGNKEGEESA-N 477.514 0.000 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)c2ncn4c2CNS(=O)(=O)c2ccccc2-4)C3)c1 1844796251 ZLIGSPFDUAAUED-UHFFFAOYSA-N 491.533 0.995 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cnncc1C(=O)O)C2 1847069387 NXZFXHQGFVDFRU-INIZCTEOSA-N 457.487 0.908 30 20 JCED C[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1ccc(C#N)c(Cl)c1 16163449 QDKGGHNKTZDSSJ-NSHDSACASA-N 458.862 0.919 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCCO2 497552200 YEJMCVXPJNIIRW-UHFFFAOYSA-N 452.517 0.908 30 20 JCED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)CC1 498178656 PNSBSHKPANCNAO-UHFFFAOYSA-N 483.616 0.014 30 20 JCED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 516406709 BHZONYIQQJYJFK-UHFFFAOYSA-N 455.496 0.389 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N(CC#N)C1CC1 521001771 MUVVDUFDEWHOOA-UHFFFAOYSA-N 482.584 0.902 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)s2)c1=O 553669684 ZPWZARDOICRZQD-UHFFFAOYSA-N 465.000 0.762 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1cccnc1 609039029 YXPSLWRABFCKNP-UHFFFAOYSA-N 496.614 0.979 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 729281676 MEDHNXOLCUVNLZ-IBGZPJMESA-N 462.572 0.041 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCCN1CCN(c2ncccn2)CC1 729377273 DLHZNWLWVWZKAG-UHFFFAOYSA-N 457.560 0.234 30 20 JCED CN(C)C(=O)CN1C(=O)C(=NN=c2nc3[nH][nH]cc-3c(O)n2)c2cc(Br)ccc21 731157900 UHUMAQSWFGOYJY-UHFFFAOYSA-N 459.264 0.446 30 20 JCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)cc1 748114020 PLEMXQCCRRMUBO-UHFFFAOYSA-N 464.544 0.218 30 20 JCED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 917036545 MAVMEOCGDPPYAJ-SFHVURJKSA-N 460.512 0.693 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c(OC)c(OC)c2)c(=O)n1CCOC 917355260 YOVYDQQSKLQRKV-UHFFFAOYSA-N 481.958 0.492 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CCN3CCCC3)CC2)cc1 918305916 UOXZUDWENVSKHJ-NJNXFGOHSA-N 490.630 0.678 30 20 JCED C=CCn1c(-c2cccnc2)nn(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1=S 921047348 XSBISACVTVGUBM-KRWDZBQOSA-N 498.656 0.754 30 20 JCED COC(=O)[C@@H]1CN(C)CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1162060995 WHBYFKCCMZZPRA-NVXWUHKLSA-N 450.561 0.703 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CSCCS1 1288861904 FYEWUWRJPOMHGT-IMJJTQAJSA-N 471.678 0.913 30 20 JCED CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1293638435 KPHQTXOAIJDEON-UTKZUKDTSA-N 461.544 0.894 30 20 JCED CCCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1294876007 LDXVFBGKOLQBRG-OAHLLOKOSA-N 492.581 0.752 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1299263190 SZLSUBWKDKNFFX-QGZVFWFLSA-N 480.573 0.654 30 20 JCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1316349301 RLOCYIZPTDUYCD-UHFFFAOYSA-N 471.587 0.606 30 20 JCED CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)CC1 1508635461 SRRSSQLYRKVDJE-SFHVURJKSA-N 489.577 0.980 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1510199992 RAVPHNIFAOVYBU-HDMKZQKVSA-N 458.610 0.843 30 20 JCED CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1541765763 ZYSDGGVTMHDRMO-HSZRJFAPSA-N 488.614 0.913 30 20 JCED CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1596008083 ZJAFRCRTRYIFFX-HXUWFJFHSA-N 481.557 0.892 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CCN1S(C)(=O)=O 1620314404 YJUIWRCKPBOQES-HRAATJIYSA-N 459.576 0.353 30 20 JCED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1693747264 LSQNDYFXDOYAQC-WBVHZDCISA-N 458.544 0.830 30 20 JCED COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1697453938 NNXZLMZQVPJJFK-YJBOKZPZSA-N 480.522 0.536 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C)CN1CCOCC1 1706820816 GDAROBZBILCGSE-AOIWGVFYSA-N 480.639 0.033 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCOCC2(C)C)CC1 1706937554 MNEWWHPZLVLEGU-SFHVURJKSA-N 495.650 0.852 30 20 JCED CCCN1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1728124936 IUDFDLZPNLVWQD-ZWOKBUDYSA-N 469.587 0.785 30 20 JCED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCOC1 1728797205 ZMIIVFSWWCCTDS-ZYSHUDEJSA-N 456.544 0.654 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)C1CC1 1741674723 INILQSJNUYCNAP-UHFFFAOYSA-N 451.535 0.536 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 1749885960 ZQKBMUFKQOKTML-KRWDZBQOSA-N 473.603 0.850 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1750209625 IMIQYRHYXFAZBB-SFHVURJKSA-N 462.532 0.226 30 20 JCED COc1cccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1770303537 LVGZWCLZHCQOAT-FUHWJXTLSA-N 474.543 0.348 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1779069434 RKUUCZRSZLXSEA-NZQKXSOJSA-N 457.483 0.425 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C3)C2)c(C#N)c1 1779071319 FORKCMQRLUVQJA-ZJSXRUAMSA-N 487.509 0.434 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780599239 ZUNOGXVPFYRWOD-DEOSSOPVSA-N 475.542 0.698 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781044672 DBSSKZSCICMJBC-FXKZBUDASA-N 466.579 0.399 30 20 JCED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1)C(=O)O 1781204925 PSCHBZGPQQBNTD-PMAPCBKXSA-N 468.514 0.625 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)CCO2 1781268381 OIZSGBGVFVEJEE-SBUREZEXSA-N 483.562 0.865 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C2 1781696880 MBZHZBUPKNPEMC-YZZKKUAISA-N 459.547 0.993 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCS(=O)(=O)CC4)CCO3)C2)c(Cl)c1 1781968508 QRHMMJHPZOSEOI-OAQYLSRUSA-N 480.974 0.386 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)cc(C(F)(F)F)c1 1782030817 LDDVLMXPFGNDNX-FQEVSTJZSA-N 479.415 0.572 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)nc1 1782192625 NSQGZTZNGMTEDZ-HSZRJFAPSA-N 494.533 0.990 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782640312 DJEGKSNVGSCCKY-HSZRJFAPSA-N 451.483 0.895 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)ccc1Br 1783168951 SSBPEWSBBYSEKN-YWZLYKJASA-N 461.316 0.900 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccc(F)cn34)C[C@@H]21 1783530709 UZGMIFOBOCHDKS-RVKHQLRBSA-N 455.490 0.925 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565386 LIQGHGKKIVBWAP-NTKDMRAZSA-N 469.494 0.775 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1784948872 FVENAXDMLNAXQC-SZMVWBNQSA-N 458.902 0.223 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785168571 NQFCIJIHCRBHSG-FHWLQOOXSA-N 456.547 0.073 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1)NC(=O)OC(C)(C)C 1785303634 BLYJKTGUOFREDP-YCRPNKLZSA-N 452.556 0.159 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622421 JBKPKYNXUOFUCL-GXZWQRSESA-N 487.623 0.476 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)nc1 1788677123 XIADIIXVWAIIEM-XMVOBEOSSA-N 474.539 0.791 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1789838690 JWEPSFYGJXEQJR-FSGKZVOOSA-N 490.601 0.942 30 20 JCED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1)C(=O)O 1789839645 SISKHEGVEDHIGO-KNTRFNDTSA-N 458.515 0.152 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC[C@H](C(=O)OC)C3)[C@H]2C1 1791239941 XQXOJKJDIRJKFA-PMVGWDDPSA-N 461.559 0.804 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1792256721 INGUVFOONSGYMN-HAGHYFMRSA-N 472.542 0.830 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1792780531 JAJJLNTUKOHOKA-BLCPMEANSA-N 476.533 0.941 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793428663 YKOSLOKFTZADKO-KCYAQADSSA-N 452.552 0.557 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(Br)cn1 1794155794 XNNLHDXGFBSMKY-VQICEPBWSA-N 477.359 0.835 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1799321753 LLHNLABATHFWLB-SFNKJDCFSA-N 462.551 0.727 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1799321806 LVFVTBMGKBZELP-SFNKJDCFSA-N 478.594 0.275 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799327616 NREYIRVDROKGPF-TWWGPRNNSA-N 475.473 0.324 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(C(F)(F)F)c1 1799785338 DSYJNICGJUDLHS-NBMJBFSESA-N 482.459 0.931 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ccc(C(F)(F)F)cc2n1 1799874861 WJZXJGXFYOPNLK-KSPBDQMDSA-N 450.373 0.644 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2ccc(O)nn2)c(C#N)c1 1800178945 IHPLHMCKBHWXSS-MRSFGVLCSA-N 465.510 0.827 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1800765789 ZVEVYGLRXNUCFA-BTVXVHMVSA-N 465.554 0.958 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COCCOC)C3)N(C(=O)OC(C)(C)C)C1 1801103917 KBGYIIUYLGSUJF-DMUMMCEESA-N 467.563 0.805 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)cc1 1801979084 CGRZRPFRIXCFQT-GNBUJSLZSA-N 474.583 0.945 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802088175 VOKUUJNZWOSHBC-UKBAYJJMSA-N 465.547 0.836 30 20 JCED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@H]2c2cccnc2)cc1 1802575797 KYHJDFLBEGLFBG-RDGATRHJSA-N 495.605 0.932 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@@H]1c1cccnc1 1803552661 ICFKAFKASUWXKK-JCXROGDPSA-N 466.542 0.596 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1804089515 KMGXTHULNXNOMC-GQYHHGBWSA-N 452.471 0.351 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1807141435 APBWEVNXXLKEEZ-TZIWHRDSSA-N 490.630 0.100 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@H](C)N2CCN(C)CC2)[C@H]1c1cccnc1 1807881623 LIHOOUWNPCXKFO-PQSANVBQSA-N 468.602 0.582 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1810445987 FPMARRDWQYMPBV-HFSMHLIXSA-N 492.584 0.978 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810487670 FIRWAMADOFMRJG-MNOULKQQSA-N 472.506 0.186 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)C#N)[nH]n2)n(C)c1=O 1815797234 HVZJZSHQMCJMSX-CQSZACIVSA-N 481.517 0.399 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817270787 OIHVQLLUSDDABM-ZIAGYGMSSA-N 454.574 0.519 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(O)O)CCN3C(=O)OCc2ccccc2)cc1 1828517420 ATRSYXQSJODVEV-AREMUKBSSA-N 492.532 0.864 30 20 JCED NC[C@H](N)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828572219 LWZXVWLUEFIGAT-RDPSFJRHSA-N 453.543 0.138 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)cc1 1829631872 MJRQQLXIPIIOHD-DEOSSOPVSA-N 454.527 0.570 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@]4(O)CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 1829673337 JVHQASPNAJZBRV-DNQXCXABSA-N 479.574 0.781 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C1(O)CCC1 1829739685 CTHHQAJBKAEKJZ-WBFUMKGTSA-N 453.536 0.523 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461378 FQTWMNLNSPNMIL-CYFREDJKSA-N 466.542 0.875 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4[C@@H]3O)C2)C1 1831386936 CCGXZNDBWINKDP-LLHPUKMZSA-N 456.539 0.777 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1831397017 NVVKCLMICUFVMD-NTKDMRAZSA-N 460.527 0.556 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1831431960 IGDWLMCQXYXGDF-KOSHJBKYSA-N 476.526 0.497 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1831487001 IQCXVSAYPNKFRC-DRSNIGMVSA-N 488.651 0.639 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832043746 BZMWFYPLMLBGOV-GQKSHLLRSA-N 492.573 0.311 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832423768 GOIDVRCRAYEGRU-DIVQNALZSA-N 463.579 0.317 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)cc1 1833040062 RTZPOZUVQGLTJP-UHFFFAOYSA-N 480.569 0.614 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)c1 1833270600 ITKCXOJCAQLTGB-DEOSSOPVSA-N 450.495 0.894 30 20 JCED CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)CC1 1834624524 FFHSYXCKHACLPU-YYADALCUSA-N 475.682 0.667 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834899221 BSCOSWZBQZGLDC-FQEVSTJZSA-N 487.605 0.766 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1835170219 UESHEVVCYARLQV-PBRWIGKDSA-N 489.525 0.943 30 20 JCED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835244492 IBDVAOYZSWIJTD-FNEOHHHZSA-N 452.529 0.606 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835365770 UVWRNDRZMYNMBX-HXUWFJFHSA-N 454.499 0.706 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835495694 PEPRFFBFVFHIQI-OGCGYOKDSA-N 481.557 0.809 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1835732190 SNCJRNQZCACJJV-CVKSISIWSA-N 471.562 0.832 30 20 JCED CC(=O)Nc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1836662330 PUUBZGWNTSMJPU-RUZDIDTESA-N 485.585 0.926 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)CC1 1836871697 RLISCPASXFBTOL-KRWDZBQOSA-N 462.547 0.847 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837397958 YFVNIXRKIBDGFH-STWLZBDKSA-N 457.571 0.730 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1837405699 ZKAUEJVBAJBZBB-KLTBXSLDSA-N 476.526 0.846 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837444158 QIGCMQAFNJVURC-QUNWKYLGSA-N 459.551 0.205 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837529386 SHBDBBRPMVZXIF-BSKCCMASSA-N 472.502 0.328 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1 1837531541 PGLRJMCSXMGTOG-RGEBAEOJSA-N 478.550 0.632 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccccc1 1837615139 BSCMKJAYPRGDJK-HFZDXXHNSA-N 479.533 0.565 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c1 1837882929 QXTVRUARMSSHSV-HXUWFJFHSA-N 459.522 0.902 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838403620 ATTBEVRSPXVMCO-GVFUYMABSA-N 476.530 0.439 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)c1ccc(F)cc1 1839039586 PLWCEEFGZVNWIF-XXBNENTESA-N 458.490 0.763 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1839176460 PRWLYVYRGJILRR-MHECFPHRSA-N 488.541 0.166 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)nn1C 1839187541 INOPYMHDWHESOP-HSZRJFAPSA-N 471.489 0.752 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1839227042 INBNWYGJPFVEKI-MHECFPHRSA-N 491.541 0.707 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1839227187 LUNKQIUPUCSXSG-YVEFUNNKSA-N 462.429 0.694 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CNC(=O)C(F)(F)F)C4)C3)c2c1 1839488973 LJUMMZRYOQXZMK-HXUWFJFHSA-N 494.430 0.183 30 20 JCED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1)C(=O)C(=O)O 1839703561 RKLVQWFJEBINAV-QFIPXVFZSA-N 481.622 0.037 30 20 JCED CCN(CC)[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1839729520 HSLQZVMNXLUWBY-VWNXMTODSA-N 457.527 0.614 30 20 JCED COc1cccc2c1C[C@H](C(=O)N1CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C1)CC2 1839795085 XSVJBCIQPGPTPH-KOSHJBKYSA-N 456.495 0.345 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1839846639 YYHCMXUDFYNUIH-NZQKXSOJSA-N 472.579 0.351 30 20 JCED CN(C)[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1Cl 1840044546 LJZQGQXCQHUVJS-RBBKRZOGSA-N 463.918 0.487 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840165675 GQVHXENLWZITCJ-YOMUGFJLSA-N 467.563 0.648 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1)c1ccc(O)cc1 1840222601 UPFNSWXYQKUHMK-YKSBVNFPSA-N 460.527 0.355 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840819028 KZPZTEVNDAFOHI-XMMPIXPASA-N 466.494 0.255 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnco3)C2)C1 1840906733 ILWPVDNVUNVSFL-KSFYIVLOSA-N 462.503 0.661 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]3CCCO[C@@H]13)CCO2 1840917881 UPKOTYIVTBURPB-XDSPWSPCSA-N 491.585 0.738 30 20 JCED CC(C)(C)OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196913 CLRFSABELQWZKH-OAHLLOKOSA-N 479.530 0.903 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)cc1 105452214 UFNDECXYROCXEF-UHFFFAOYSA-N 473.511 0.492 30 20 JCED COC(=O)CNS(=O)(=O)c1cccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 481801107 QGXDEPLGBBADEQ-UHFFFAOYSA-N 465.509 0.563 30 20 JCED N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)ccc1F 488699299 LOGBFGFPHCDQRP-UHFFFAOYSA-N 488.544 0.040 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 514332971 KTQFUVVWJFRHET-UHFFFAOYSA-N 459.911 0.840 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2CCc2ccccn2)CC1 522387530 SYPNHRLKZYCYSW-UHFFFAOYSA-N 463.563 0.808 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccc(OC)c(OC)c3)c2=O)cn1 523180607 ZBZCYRQVCYXKNT-UHFFFAOYSA-N 497.577 0.788 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCCSC 603998347 KUTQVZCASCEWBL-UHFFFAOYSA-N 468.582 0.898 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 604197359 XNGBQJWKYRFVOQ-UHFFFAOYSA-N 458.544 0.494 30 20 JCED Cc1cc(NC(=O)CN2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC2)no1 726585369 RPNKVXMGXHMMRF-UHFFFAOYSA-N 451.487 0.833 30 20 JCED Cc1c(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(=O)n(-c2ccccc2)n1C 916961435 QMZKYKOMTQHYPO-HJPURHCSSA-N 464.482 0.852 30 20 JCED COCC(=O)NC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918274614 UJFPCEVRTCXXNO-HKOYGPOVSA-N 479.559 0.192 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N(C)C 1292122821 YGIPCDHMCDEGDI-HNNXBMFYSA-N 468.566 0.661 30 20 JCED C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1303722341 NHMKAIZRGJPFFG-SJLPKXTDSA-N 458.592 0.724 30 20 JCED N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1316533252 JCTCLLFQUFBLCF-UHFFFAOYSA-N 467.621 0.633 30 20 JCED Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 1321561362 BRHOBTGUFBWVPE-UHFFFAOYSA-N 490.563 0.734 30 20 JCED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1360623299 QUJWHDRTACLMQU-AWEZNQCLSA-N 455.562 0.643 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1463883806 KFNMFGJYMHGIDE-OXQOHEQNSA-N 455.540 0.596 30 20 JCED N#Cc1cn(CCC(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)c(=O)nc1O 1466756567 OYCCGOFJDYJGDK-QGZVFWFLSA-N 457.512 0.594 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3COC4(CCOCC4)O3)CC2)cc1 1469542739 NDXOSHOBAGPEHD-KRWDZBQOSA-N 450.517 0.496 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1541804438 WDJBCDIWAKYKEF-KXBFYZLASA-N 487.586 0.684 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(N(C)C)CCC1 1692796097 LIOYLDCOZKTINK-QGZVFWFLSA-N 487.634 0.966 30 20 JCED CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1695898386 AXQYARZJHHQOQP-HXUWFJFHSA-N 457.627 0.620 30 20 JCED CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1695939296 WPXLCGWETFVBOS-GOSISDBHSA-N 486.602 0.950 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC(=O)N1C 1708175813 MXDGPJVRTPRRBX-HNNXBMFYSA-N 458.544 0.423 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1729741852 LLEULPBOPMNZEU-UHFFFAOYSA-N 487.586 0.441 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCCN2CCCO)cc1 1731185338 YSVYABIAUADESG-IBGZPJMESA-N 474.587 0.810 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1748299976 REPIQGFTQHWTIN-KZNAEPCWSA-N 465.624 0.922 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)c1ccccc1 1750077536 WKLIZUNXRMTXRI-WMZOPIPTSA-N 496.615 0.681 30 20 JCED CC1(C)CN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCO1 1761567142 OCLGZWDYSUQQMZ-IBGZPJMESA-N 495.650 0.852 30 20 JCED CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1768114682 MDAPDVOQFUNIHT-IPMKNSEASA-N 476.559 0.727 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCN4CCOC4=O)C3)C2)c(C#N)c1 1778158384 FFIJATNERZGKRX-QHCPKHFHSA-N 456.499 0.782 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1781396022 NPBGRNMVNNVLDI-ZHSNQQFMSA-N 482.578 0.845 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781902694 DKMYMUWYAQXKKZ-RXVVDRJESA-N 493.358 0.915 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782199034 HSVUIGAOTCXCGB-JPYJTQIMSA-N 484.513 0.721 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(I)ccnc1OC)CCO2 1783054819 OBOVQGPQWJNSKX-QGZVFWFLSA-N 455.252 0.772 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2 1783132101 MNTKCKWRTHIKQS-WIYYLYMNSA-N 480.458 0.176 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nn1-c1ccccc1F 1783562572 MCZIQLDXQKIRFQ-QFIPXVFZSA-N 456.430 0.552 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(C)(C)C 1783563002 VDJQMOODKSZSDC-VGOFRKELSA-N 451.520 0.844 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1784012380 SBGAEDBQDUZZEC-QCYAZGCDSA-N 490.557 0.900 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1)c1ccccc1 1785029814 WCCCWAGIOYSNIK-WOZUAGRISA-N 466.538 0.715 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1785572230 KPRJFASAPPUYQM-AOMKIAJQSA-N 464.519 0.185 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1785575061 XSZWFBMUKIFXKN-CYFREDJKSA-N 478.590 0.455 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786746904 NTOYUAULRVMDGX-ONTIZHBOSA-N 456.543 0.639 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@H]2C1)c1ccc(O)cc1 1788474643 AYNNCNZROKJKFA-QNQBOUCHSA-N 487.553 0.933 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CO)on3)[C@H]2C1 1789381515 VUCNMSGJLLSFGI-RMRDIRSESA-N 476.530 0.677 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCNC5=O)C[C@@H]32)c(C#N)c1 1789839654 UCAKAJOYXCWEJE-BPXKWBHBSA-N 492.536 0.343 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789917563 GNSXAUSCNSMPDC-VJANTYMQSA-N 469.579 0.835 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCC3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1790790678 ZZAXOSMRRVCDMN-UFYCRDLUSA-N 462.591 0.836 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C1)C2 1791079592 UEBSMTTZDHWBQL-XEZGLNCPSA-N 475.542 0.842 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4cccc(C#N)c4)C[C@@H]32)c(=O)nc1O 1792130517 LIOOYJNWUDBWGP-ACRUOGEOSA-N 479.537 0.742 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1792895279 MPJJZZHSESNECP-OEVXQYFLSA-N 469.560 0.375 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)C2 1793340623 BYDKFWRAYFBZKU-OMZCGLGVSA-N 491.585 0.783 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)C2 1793347908 PDCNCJZCPQVBPU-KGUXUILGSA-N 491.585 0.639 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(Cc2cccs2)C1 1793973679 UXQSYOLRTXVECC-JKESYPDYSA-N 486.594 0.545 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1797714470 UIVDVMCLIKWQAP-DFGXFYAUSA-N 462.572 0.054 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O)NC(=O)OC(C)(C)C 1797969378 XWRZILQLHXHISS-TWHPPBISSA-N 496.605 0.587 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H]1CC(c2ccccc2)=NN1 1800154671 GHELVOLNJZQKJN-GKBWPFBFSA-N 469.542 0.871 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2)C(F)(F)F 1800550264 JCJYNHKLPZEPAD-MIFYACCESA-N 461.462 0.948 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(F)F)c(O[C@H]3CCOC3)c1)C2 1800777915 NEWOFINRBHRZQA-YJXLLHPSSA-N 494.447 0.747 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801302469 HXFKAMKWMRNFKF-DJSSIZSOSA-N 492.602 0.956 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)cc1 1802576786 XMPDJPJFNCNOAI-CVDCTZTESA-N 460.494 0.754 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@@H]2c2cccnc2)cc1 1802579309 NHKWVAVEYWJVFA-QTJGBDASSA-N 463.538 0.852 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CSCC(=O)OC)[C@H]1c1cccnc1 1803574315 OVARBJHWAPXVLI-MIPIJZKVSA-N 460.556 0.852 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)ccc1F 1804355759 VJKNIRSWGAAUMS-WVBUVRCRSA-N 478.484 0.939 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810288139 IITPGTHEWMRPQA-TUWUPGADSA-N 452.515 0.484 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)c1 1811407983 VDVFGUOCTDSACF-IERDGZPVSA-N 499.491 0.721 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)[C@@H]2c2cccnc2)c(=O)nc1O 1814039712 GLXKUNBQPIJNTR-KLAWZZEOSA-N 498.540 0.887 30 20 JCED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)CC2 1825022641 MVZIRINVVPFEJC-LLVKDONJSA-N 457.537 0.543 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240724 ZXDHILSRJUXBLD-MNOVXSKESA-N 452.583 0.954 30 20 JCED Cc1cc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n(C)n1 1828710336 OJNVUDBRVZOADP-RUZDIDTESA-N 493.520 0.882 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CN)CCN3C(=O)OCc3ccccc3)C2)c1 1828964597 RIQUVANWZCFHKU-QHCPKHFHSA-N 450.499 0.911 30 20 JCED NC[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#Cc3ccccc3)C2)C1 1829046648 DEDIOBXZHUMIEZ-HOFKKMOUSA-N 489.576 0.776 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829120938 IYDWEYINBNDOEU-XMMPIXPASA-N 480.525 0.864 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(=O)NCC(C)C)C2)C1 1829263191 NCDWDLDSSIMTOK-XMMPIXPASA-N 454.527 0.844 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1829464781 JUNSNPZJUQWCSG-XMMPIXPASA-N 465.510 0.728 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1829555256 ADXBWSULZGEYIR-VKUXZERMSA-N 464.906 0.369 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCSCC2)CCO3)cc1 1829704971 UMODUDVQFJIGBU-HSZRJFAPSA-N 458.584 0.606 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C)nc3)C2)C1 1829764643 RUCWUXLUBYTBIQ-FFYIOULGSA-N 456.543 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN(CC)CC)C2)C1 1829771234 NBDZKAPAWXCBOE-AADRGNLSSA-N 450.580 0.279 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)ccc1F 1829956446 NCLIIAXRUAIYOZ-UZUQRXQVSA-N 458.490 0.222 30 20 JCED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)c(=O)[nH]c1C 1830458250 MVLFJBQFYJDMEC-VWLOTQADSA-N 479.537 0.961 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1830461502 MKAWOJKMKHJLJV-QFQXNSOFSA-N 483.613 0.583 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)C#N)C4)C3)CC2)ncn1 1830957640 MWVWFNLUKSEQQS-XMMPIXPASA-N 486.573 0.708 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(C(=O)OCC)ncn4c3)C2)C1 1831392410 DJSQVAJVFOUEHS-CJAUYULYSA-N 498.536 0.619 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1833028491 QGHWSAOHZBKTQE-JPYJTQIMSA-N 488.545 0.545 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)[C@H](S)C(C)C)CC2)CC1 1833492344 IMGWZDKBRWDZTN-NHCUHLMSSA-N 478.663 0.983 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833596231 BGEPQOSONLVTMK-YLJYHZDGSA-N 471.601 0.510 30 20 JCED O=C1CN(CC(=O)NC2CCN(C3CCN(C(=O)C#Cc4ccc(Cl)cc4)CC3)CC2)C(=O)N1 1833709783 GZHUXMCPZFKTMK-UHFFFAOYSA-N 485.972 0.815 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)O2)C1 1834754160 XACOHBHNPGOATP-HXOBKFHXSA-N 478.546 0.525 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)=NO2)C1 1834767706 VSIDEMLYPLQWGX-QFIPXVFZSA-N 477.518 0.122 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1835096259 XGSOOHBODUPHLN-VWLOTQADSA-N 459.506 0.939 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)c(C)n2n1 1835099562 NDHITIRTDJJLTL-VWLOTQADSA-N 474.521 0.863 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1835677682 UCBUCMCJNHAJQL-SANMLTNESA-N 497.596 0.771 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)CNCP(=O)(O)O)CC3)CC2)c1 1836124172 NVISRTSUHKTOQC-UHFFFAOYSA-N 493.501 0.477 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4cc(C(=O)O)ncn4)CC3)CC2)c1 1836167319 ZHTTUTHKBMHEMY-UHFFFAOYSA-N 451.487 0.874 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)CCO2 1836259813 KZIXJRXEEPONLB-HSZRJFAPSA-N 455.515 0.526 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)nn1-c1ccccc1F 1836345136 ROPHNRIBUNEKPC-QHCPKHFHSA-N 486.456 0.178 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1836520235 CUYGYUNXNWNULS-YRPZLXNTSA-N 480.539 0.559 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1836680156 VOVWILIWEWDLDH-FXAWDEMLSA-N 481.590 0.909 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836968166 FLJUPOJVXNQOSU-JOCHJYFZSA-N 460.535 0.017 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1837006006 SLEFMOJHJBHNFM-QHCPKHFHSA-N 454.531 0.915 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837629934 UODAQEZLIPQULO-GIFRWZEPSA-N 475.502 0.006 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cnc[nH]4)C3)C2)c1 1838579304 IWLDHYCRZKQCTH-HSZRJFAPSA-N 453.499 0.993 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1 1838742246 AHSOCDOPYXFRPZ-XMMPIXPASA-N 465.510 0.695 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(C)C)nn1CC)CCO2 1838808846 PDTJEAZFSIDBQO-WEHRJKGCSA-N 473.574 0.955 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2C)CCO3)c1 1839215077 WDXYNSCMZSQKQW-WMZHIEFXSA-N 456.499 0.258 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Br)ccc1[N+](=O)[O-])CCO2 1839319131 RNKCBRVJSDWVPD-IBGZPJMESA-N 496.270 0.515 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1839739020 NSSPQDFMRGEOSA-UQBPGWFLSA-N 486.569 0.882 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1839805296 IBJVBXQYGIUTBZ-NRFANRHFSA-N 453.511 0.815 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039920 JYIWSWZRPMFUDU-OPAMFIHVSA-N 465.503 0.000 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Br)ncc3F)C2)C1 1840042641 GJGVODBASQSZIR-GOSISDBHSA-N 470.251 0.141 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840142406 MEFSBVRNEOOSTH-YPCDYVTLSA-N 488.581 0.897 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840166787 CSRLASBYTYFNQC-QFIPXVFZSA-N 463.556 0.500 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1840841913 BRAQTVDEMYGUOP-VGOFRKELSA-N 453.536 0.396 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CNC3=O)C2)N(C(=O)OC(C)(C)C)C1 1841849074 UUKYPEMHKCVQDZ-HNNXBMFYSA-N 461.519 0.307 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCNC(=S)NC)C2 1847069237 LYAQQWLALSKMCN-HNNXBMFYSA-N 451.593 0.590 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](COC)NC(C)=O)C2 1847082940 VDFUWJDEDMMKRN-SAHWJRBASA-N 464.563 0.810 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@H]1CCCCO1 1847511064 GVQZMLNMZCAJQE-UYWOHKCNSA-N 454.524 0.603 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)CC1 501516499 ISOCALOSCXJKHB-UHFFFAOYSA-N 461.526 0.942 30 20 JCED Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1-n1cnnn1 516442091 XHIXJBXJGYOORI-UHFFFAOYSA-N 480.510 0.314 30 20 JCED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 521546377 PSCDKQFBNORKQF-UHFFFAOYSA-N 485.522 0.155 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc3c2OCCO3)c1=O 603988728 FIGOOHFQSQTUCD-UHFFFAOYSA-N 468.579 0.758 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915377202 VJJJKLZRZUUNER-UHFFFAOYSA-N 473.511 0.825 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 919014028 MTNVFKZDYJWDFO-VWLOTQADSA-N 480.521 0.776 30 20 JCED N#Cc1cccnc1NCCNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 919653916 FGDRVPZBDHWMTA-UHFFFAOYSA-N 454.516 0.958 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286629123 KHXFHUOEZXEFHG-ROUUACIJSA-N 488.058 0.580 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 1302468931 MOZFNEZJYFXUFY-AEFFLSMTSA-N 457.560 0.800 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC3(O)CCC3)CC2)c1C#N 1492727134 IRBXXGDCNUZSHT-UHFFFAOYSA-N 455.567 0.962 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1504888392 PSEMWBJXWHAFBS-GOSISDBHSA-N 463.564 0.729 30 20 JCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507854700 PKCKEUGZXFTGDF-KBPBESRZSA-N 467.017 0.645 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ncccc1N(C)C 1541943527 YDHYKDOSDLIZDY-DOTOQJQBSA-N 473.607 0.574 30 20 JCED CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1548171804 OYBUYYRDOUHCQO-LJQANCHMSA-N 468.562 0.903 30 20 JCED CNC(=O)c1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)c1 1554415258 OILDIAPANFFQKY-LJQANCHMSA-N 487.586 0.759 30 20 JCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1555818446 ZUHKIFIMOBHCLP-SFHVURJKSA-N 459.576 0.524 30 20 JCED C[C@@H]1COCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1613011781 VVDOOQHHINIKPV-SJLPKXTDSA-N 460.560 0.798 30 20 JCED CCN1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1615895848 UMQPCRXTTKCYFH-MOPGFXCFSA-N 482.655 0.234 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 1638203031 ITBPOZRAIOJNEJ-ROUUACIJSA-N 453.499 0.934 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1=O 1698088224 OTCMKXGJFAMUKF-UHFFFAOYSA-N 458.544 0.689 30 20 JCED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 1711275505 LAZUDSMPMLUMHP-MBSDFSHPSA-N 453.547 0.887 30 20 JCED CO[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749227943 KIDSMFGDSFIGFB-MOPGFXCFSA-N 460.560 0.950 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCS(C)(=O)=O 1749269278 PARBVZPQIXCOAT-CYBMUJFWSA-N 455.990 0.234 30 20 JCED CC1(C)CN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCO1 1761567143 OCLGZWDYSUQQMZ-LJQANCHMSA-N 495.650 0.852 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(O)CCN(C)C1 1762290298 NCLHFBSKICRQSX-XMMPIXPASA-N 481.605 0.856 30 20 JCED N#Cc1cccc(-c2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2CC(=O)NCC(F)F)c1 1770735719 NKDHAPYHRKWYFS-UHFFFAOYSA-N 472.500 0.599 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CCO2 1779019399 PAGRDVGSEWFVKT-SKLAUCLBSA-N 492.540 0.486 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021088 FKYNLAYBONHIRH-LZJSLVMGSA-N 456.547 0.502 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779041465 DPTPDSINXJHHQM-ZHRRBRCNSA-N 481.619 0.217 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104480 ABNAVAWACIALMX-UOFXASEASA-N 471.551 0.415 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCc3nc(N)n[nH]3)C2)cc1 1779238461 KYOVYGAJPDIXJQ-WZONZLPQSA-N 451.531 0.948 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](O)N3CCOCC3)C2)c1 1779416570 WWLKXFOAECBCIA-AGILITTLSA-N 456.543 0.645 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4I)C3)C2)c1 1779544491 HAPOFHXWMJBHBX-QGZVFWFLSA-N 480.266 0.971 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781782349 ZREVAXQROHGCIZ-UTBIRPSLSA-N 476.574 0.553 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782665298 AONQMCTUOIPCJX-HOYKHHGWSA-N 489.573 0.933 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1783466012 UGXOQVOOULUGGN-BERAWNTRSA-N 461.559 0.968 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nc(Br)nn3c1)CCO2 1783563272 ZYQHCLJUQNYQRL-GOSISDBHSA-N 462.260 0.023 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784004551 FNNJRRVIKBVCCY-NLSFWIRASA-N 467.563 0.779 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)[C@H]2C1 1784794865 GQQRRNUROWJJKG-HMDCTGQHSA-N 457.593 0.920 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC)NC(C)=O)CCO2)C1 1785572101 JJZSWTWYUDSSEQ-BSRJHKFKSA-N 464.563 0.648 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCO2)C1 1785623319 OZKFBILUWQTKRB-KOSHJBKYSA-N 488.541 0.135 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)C1 1786697364 UZEKDPHNBRVTBC-AVEIZBFRSA-N 462.547 0.498 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(S(C)(=O)=O)cc3)[C@H]2C1 1786699848 WWNAFJSCDWTWNA-JBACZVJFSA-N 490.626 0.894 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787428264 RNKMXSLWJMZQLF-HJWJTTGWSA-N 491.545 0.951 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 1788658060 DLDPODQLLVHSNB-VNWIBMOYSA-N 456.503 0.852 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1789958356 PNRBNQJUNNOORW-YRIPFXIYSA-N 496.605 0.995 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NO[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)[C@H]2C1 1791010413 MKBJNHUOQWPFAJ-YQNCCBLMSA-N 460.531 0.755 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)c1cccnc1 1791073213 RWWAOBOUGPVGNJ-RYLXDESZSA-N 486.525 0.715 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1792888969 KAOVTCLTFZRRPH-QXGSTGNESA-N 498.540 0.523 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793088426 YNCDIHZFEYTEJA-HGKCTWBKSA-N 454.524 0.048 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1793489347 SRZGOLXQWIVKRM-MQOOWTBDSA-N 450.536 0.904 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793959651 XAUYYFWFQARTCZ-JTJHWIPRSA-N 499.568 0.318 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794089809 REDPPZWKURZBQU-BDMFXPILSA-N 465.597 0.856 30 20 JCED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)c(=O)[nH]c1C 1794311079 CDVOXGDTFDYFJE-XEMDLRDOSA-N 453.474 0.843 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)nn1C 1794348274 VUXAUKIRYBCULG-YYAJDYIMSA-N 475.546 0.549 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCNC3=O)c1 1794974066 JUTOCXRIESJMMH-HEFCWWFNSA-N 462.510 0.771 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795524855 IPKKCQPRUIYPOT-JTJHWIPRSA-N 471.558 0.542 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C(F)F)c1=O)C2 1795599136 WBNVNECUBWCOQB-MIFYACCESA-N 451.474 0.728 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1795599449 JQQWTCDIGCSPEK-XEMDLRDOSA-N 472.542 0.321 30 20 JCED Cn1ncc(Br)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1796749009 WUCAWHWXKCTICV-DNNVRAESSA-N 484.351 0.915 30 20 JCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCCNC3=O)c1 1797320608 IBVXTIBLSHJECT-BBIADKPPSA-N 476.537 0.724 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)c1ccc(-n2c(O)nnc2O)cc1 1798599983 XLMAEUKVNZHQRG-HATOLVCRSA-N 473.489 0.933 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1)[C@H]1SC(=N)NC1=O 1799325692 RNJRNJFBNVDILG-WPABPAFWSA-N 473.530 0.632 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C2 1800025322 HPDUNOWYMLZZKS-XCDZQEORSA-N 477.606 0.914 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1800943057 ZWCCEAMTFFIYIR-FCGDIQPGSA-N 499.630 0.870 30 20 JCED Cn1c(=O)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)c2ccccc21 1801995962 XMXCNTDRZXEQCM-HBNMSFMJSA-N 489.532 0.880 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)N1CCOCC1)C2 1804376722 NUHMRNZVUVUDPE-KSZKVXGTSA-N 464.563 0.192 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1819427106 ZHBOLZZELROIKK-NQIIRXRSSA-N 459.547 0.751 30 20 JCED CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC2(O)CCCCC2)n[nH]1)C(=O)C(=O)O 1819427649 GZCPPOAGDKOYIZ-INIZCTEOSA-N 459.503 0.643 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829335077 TVCBRNBTIFYBEI-ZHRRBRCNSA-N 459.524 0.845 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1829769962 ABOMSSLVAQUFRY-IYZQMXKPSA-N 453.499 0.263 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1829781927 IKAFTARWMJSNIJ-JOCHJYFZSA-N 480.587 0.901 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)cc1 1829944693 KYBYAOBHGNHFDZ-HYBUGGRVSA-N 454.527 0.473 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1830344168 HZJXTHUYCCVGJK-QGZVFWFLSA-N 471.518 0.555 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CC)CCO3)N(C(=O)OC(C)(C)C)C1 1830529025 FPHXAJDCLYNRFG-IXFSTUDKSA-N 467.563 0.779 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831386220 CYCUYWLKFFTPLB-XLNZFTOWSA-N 495.573 0.117 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1831387372 GQJCPAKBEVGKMU-VGOFRKELSA-N 464.540 0.198 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1831402388 XMJXBNHESCJPPN-WFFUTXBBSA-N 491.585 0.594 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1831402594 LNEMDVJPOSHFRO-AOMKIAJQSA-N 461.471 0.712 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1831433796 YVRYNRYWICLJCT-JPYJTQIMSA-N 455.515 0.928 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccc4c(c3)CNC4=O)CC2)CC1 1833075053 MIOHVJOAUGGURM-WAYWQWQTSA-N 479.581 0.974 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(N5CCOCC5)cn4)CCO3)C2)C1 1833616082 WXPDRPDEOLLLQN-DEOSSOPVSA-N 456.543 0.954 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c(C)c3F)CCO2)C1 1833676199 KNDFASSKBSISFK-WAIKUNEKSA-N 493.536 0.844 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c(O)n1 1833700230 SESDIOCNQSEIIH-XMMPIXPASA-N 499.524 0.550 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)c1cccc(=O)n1O 1833962015 ZHTYXCJAXQOVCI-BUVRLJJBSA-N 455.515 0.983 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834716141 GFRBFCGLJJUGLS-SFHVURJKSA-N 458.611 0.768 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1835103836 JCUHBHLNNHOIBT-JOCHJYFZSA-N 473.576 0.355 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835341894 LHRDGMZSUQPISA-XFAGBWLFSA-N 492.573 0.364 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1835441429 XUOOXZKQQJLEJK-XMMPIXPASA-N 475.973 0.870 30 20 JCED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)CC1 1835481867 OIZVUXBJUYIFHC-KOEQRZSOSA-N 458.607 0.518 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1835677309 MIZKPYGQIHXDFV-XMMPIXPASA-N 456.543 0.973 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(O)c1OC 1835680564 KSXDOIJKRKHWGK-XMMPIXPASA-N 490.557 0.761 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835780405 ZMTDQHUUWJCWEW-SYXCRGJESA-N 460.579 0.978 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)c(C#N)c1 1835857249 SPPDJAMMTKTGNX-QFIPXVFZSA-N 455.471 0.308 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836128828 WUWGOVMJZQTSQF-IERDGZPVSA-N 450.492 0.267 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2)C(F)(F)F 1836259739 LOHFBWREAYWIKE-KRWDZBQOSA-N 478.449 0.027 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4cccnc4n3)CCO2)C1 1836830875 HDQSKVRURMFJEW-DEOSSOPVSA-N 466.542 0.982 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cn6cccnc6n5)CCO4)C3)c2c1 1836893536 ABCWHAMGGAQTTO-XMMPIXPASA-N 486.492 0.861 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1836997576 JOYZLWFGHYXAMN-HSZRJFAPSA-N 454.531 0.686 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837169422 OERMCRFSVNJOHO-BSKCCMASSA-N 472.502 0.328 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cnc2c1 1837444079 XXQXTSXHLUSSJG-RXKZJVHISA-N 496.568 0.545 30 20 JCED CCn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc1C 1837491030 TZKXVHANSMLNRW-DEOSSOPVSA-N 458.559 0.980 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1837492294 DSBZCPFZWCRWHY-QHCPKHFHSA-N 462.543 0.485 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837524655 LCDHIARKCVTBMJ-NIVXKRAVSA-N 481.481 0.381 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837530416 MLGVBUOZYWTMFV-REWVYZQPSA-N 461.519 0.428 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1837562740 OPLJKWUNOQCUHH-JJDHCWFKSA-N 470.482 0.635 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838567866 UBHMLDXLKBXBDS-HOYKHHGWSA-N 476.526 0.497 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4C)C3)C2)c1 1838580609 NEWMPIOLXPOHDD-DEOSSOPVSA-N 466.494 0.649 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838582565 SQNWQSWPRIIEQO-XDHUDOTRSA-N 472.542 0.942 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5ncccn5n4)C3)C2)c1 1838582596 VBDYJFMKVNPKTR-DEOSSOPVSA-N 476.493 0.993 30 20 JCED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838582628 WNXWXRVRCJVUAT-ICACTRECSA-N 463.556 0.796 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839085494 IVFOUVQOPFBESX-YPCDYVTLSA-N 496.564 0.794 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1839174615 NJUMEFZKGMZCMJ-OAQYLSRUSA-N 464.544 0.535 30 20 JCED Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186304 LLRZARQHOSXCFR-QFIPXVFZSA-N 457.462 0.889 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1839224303 HTJZTGPGZPXQSE-HYFFOGBASA-N 486.566 0.129 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CN5CCSCC5)C4)C3)c2c1 1839485935 DNJQAQHLLOZCHR-QHCPKHFHSA-N 484.582 0.553 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n4ccnc4n3)CCO2)C1 1839549214 TUAJZXFKBODMEN-WZONZLPQSA-N 457.531 0.681 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3C(=O)N(Cc3cccs3)CC4)C2)C1 1839810430 WZXGPIWMEXNGMP-QHCPKHFHSA-N 483.550 0.304 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(Br)cc3F)C2)C1 1840044378 GOIHXRVPPYUUIU-FQEVSTJZSA-N 483.290 0.675 30 20 JCED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840200021 SXIYMMWODWZYMO-PGRDOPGGSA-N 473.555 0.619 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818396 ADFSJYRLCRAEDP-VGSWGCGISA-N 479.555 0.074 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1840819847 JGPYQLILEOAUDQ-HSZRJFAPSA-N 452.467 0.808 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840906502 DBXDAFGKDUJGHE-HOYKHHGWSA-N 489.525 0.626 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)C(C)(C)C)C2)C1 1840907160 PUWXBSDZWBXNNU-RHGYRFJNSA-N 481.590 0.766 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1840909237 PDKNRTLBVRMYTH-NLFFAJNJSA-N 486.569 0.997 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840939602 LIEWAGCEHZGYDM-RXRGDLQPSA-N 452.552 0.458 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1840945313 MAAGZZARJDJFGJ-JOCHJYFZSA-N 465.522 0.815 30 20 JCED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@H](O)N2CCOCC2)C3)ccc1Br 1845458425 DGEYIEKVOVYKPT-SFHVURJKSA-N 463.332 0.788 30 20 JCED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 26763397 RJVIRWPNOJSMOF-KRWDZBQOSA-N 470.573 0.384 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)C1=O 499102031 PSNMNCRENRCCJA-UHFFFAOYSA-N 497.430 0.645 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)c(F)c2)c1=O 521501111 ZQXUTMHORDSCON-UHFFFAOYSA-N 464.950 0.674 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Br)cc2)c1=O 604269933 JRKSMWGVLLJWNX-UHFFFAOYSA-N 475.368 0.542 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 604269941 JWZNFONOSPWSOR-UHFFFAOYSA-N 460.506 0.838 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCS(C)(=O)=O 729671678 UXQOXRCQOWJCMZ-UHFFFAOYSA-N 477.608 0.145 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCS(C)(=O)=O 729673260 VXKKSTDBWMICGB-UHFFFAOYSA-N 478.552 0.282 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)cc1C 838956786 VCMWCURBVXIFFV-INIZCTEOSA-N 451.552 0.904 30 20 JCED COC(=O)C1CCN(C(=O)[C@H](OC(=O)CNS(=O)(=O)c2ccccc2C#N)C(C)C)CC1 913174179 YAEJXYSISKFDRQ-LJQANCHMSA-N 465.528 0.816 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CCOC 916198706 TWRWADLEGGQTLQ-UHFFFAOYSA-N 480.384 0.974 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(Cl)cc3)c2)c(=O)n1CCOC 917769255 YWBRRVQIWBEQAQ-UHFFFAOYSA-N 487.969 0.661 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 1142570002 YNWFPWQUOLFTPS-XJKSGUPXSA-N 454.599 0.702 30 20 JCED C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1303696431 PDBVTQVXGRUTTM-WMZOPIPTSA-N 460.560 0.798 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)C1 1447484338 LZMIHFSHJMNEEK-HUUCEWRRSA-N 451.524 0.941 30 20 JCED C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1507854302 JSSCKODOGOQDED-KRWDZBQOSA-N 462.576 0.897 30 20 JCED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)C1 1521063250 PFBKCSQMCVLTKJ-DYESRHJHSA-N 460.535 0.981 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1541804436 WDJBCDIWAKYKEF-DNVCBOLYSA-N 487.586 0.684 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCCC2)CCOCC1 1541946284 SDYNNSDETWTDKE-DLBZAZTESA-N 467.596 0.262 30 20 JCED CS(=O)(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555803655 VWGMXYNZZQSHFF-UHFFFAOYSA-N 472.575 0.542 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCOCC2)CC1 1611772134 LWIDEHQXVQRCQC-SFHVURJKSA-N 495.650 0.852 30 20 JCED C[S@@](=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CC1 1620180401 VGLPWSJDVSTCAY-BEIWTESXSA-N 470.621 0.652 30 20 JCED CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1637471986 QBPMDELLCAMXAQ-LJQANCHMSA-N 452.515 0.102 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1709186764 YXGDOGYUDHDZMF-SFHVURJKSA-N 489.627 0.910 30 20 JCED CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(=O)(=O)N(C)C)C2)CC1 1710290231 RYJCTUKZSKELDA-NRFANRHFSA-N 486.646 0.924 30 20 JCED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCO1 1770960810 ODCUGYRGFVIURI-LJQANCHMSA-N 476.559 0.616 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1779100899 GWGHZIUZMIMUBB-NGPKUFNOSA-N 480.543 0.458 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335311 YMLPSPSBQGTZNK-VGSWGCGISA-N 461.519 0.870 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CC1 1781300351 ORLWYYVTIKGLPA-QHCPKHFHSA-N 492.573 0.741 30 20 JCED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C(F)(F)F 1781803409 FIOZAVTWYDUNLG-CKEIUWERSA-N 455.499 0.947 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1782256262 QDEDAHKLLQGYBR-NUQURWJTSA-N 493.601 0.911 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)C[C@H]2C1 1783564668 BJMBFFZXUSYEHN-GMWOSMDTSA-N 461.515 0.551 30 20 JCED C[C@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783778019 MUHMJXLMQSHKOE-ZSDSOXJFSA-N 472.608 0.553 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)NC(=O)OC(C)(C)C 1785302194 MHKXQBBQJYYNQV-SBUREZEXSA-N 481.594 0.947 30 20 JCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4nc(N5CCOCC5)ccc34)[C@H]2C1 1787178310 DRLYXXWADDFTAA-ZJOUEHCJSA-N 480.569 0.963 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4nc(N)n[nH]4)[C@H]3C2)cc1 1788504067 VLCOZRYXMTXGGR-FHWLQOOXSA-N 451.531 0.804 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1788660463 QBHVUFXOSZVDQT-QUMSWINWSA-N 470.530 0.781 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C[C@@H]32)ccc1F 1789907670 LJEFDHUKMJRWPJ-MDKPJZGXSA-N 497.483 0.990 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790654189 XJIYYWLFXFZUPB-LAQRGFTBSA-N 462.503 0.309 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C[C@@H]21 1792176194 UWGXDXIEUHOQSS-BVSLBCMMSA-N 489.594 0.714 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N(C)C(C)=O)C[C@@H]21 1792257775 MAZHAYZTIXDJFE-JBDAPHQKSA-N 478.590 0.750 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1792452802 WQRLIMQDIHMKJU-XSDDWTICSA-N 464.563 0.888 30 20 JCED COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792633155 FDALPONDFUVGLW-OPVJXMOQSA-N 455.552 0.212 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNCP(=O)(O)O)C2 1793832116 VJBCQWNJXHMXMD-FZKCQIBNSA-N 474.495 0.819 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3cccnc3)[nH]n1)C2 1795599039 MBLNGZWELFUPPF-XEMDLRDOSA-N 451.531 0.957 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cccc(N2CCOCC2)n1 1796618333 MQRCXTDVTYPZFN-IRJINJETSA-N 482.581 0.820 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(I)cnn1C 1796746402 QSJWXSIFABAKQW-XPCVCDNBSA-N 488.326 0.819 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC#C[Si](C)(C)C)C2 1797586322 PPPUHESHRGLADD-WQDJSCAQSA-N 453.612 0.692 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1797727990 VGAVYACKCOHLBM-DLRJPAPCSA-N 473.526 0.756 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2 1797742272 OQYSHQDKMZEKRJ-FQQNVSCMSA-N 483.613 0.949 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)cnc2C1 1798411092 ICJINNSJVBSMIW-CCWDJLKJSA-N 458.519 0.751 30 20 JCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C2(CCOCC2)c2ccccc21 1799070197 GRDGQEINPSSWON-FAQVEIGNSA-N 452.511 0.585 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(c2ccccn2)CC1 1799087354 HOUUPENDVUNVTA-MCTZMUKVSA-N 467.570 0.746 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1799393143 BLGGLAFPUUSULW-VLUPQCQJSA-N 482.578 0.747 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799639428 MRCNXLMSKXDXAE-IYWMVGAKSA-N 472.542 0.841 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(C(=O)O)ncn3)C4)c2c1 1799883658 XRPSPLIFTVNRFU-IVWMJMPLSA-N 461.438 0.440 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)n2)C3)N(C(=O)OC(C)(C)C)C1 1801103924 KHMDOGUTYKIGBP-KPEUIFRASA-N 489.529 0.657 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1802125058 NNBBDDYTJXVXEZ-BASYENTBSA-N 487.513 0.295 30 20 JCED CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1 1804890605 OWZRTLLCHSGQNI-MGPUTAFESA-N 456.480 0.288 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]2c2cccnc2)c1 1807193217 CTVZKVYFGLMHON-ZNLUXHQJSA-N 464.526 0.874 30 20 JCED Cn1c(=O)n(CC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)c2ccccc21 1809537727 YSQHVPJUSHZYJC-HXOBKFHXSA-N 461.478 0.529 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)nc3sccn23)[C@H]1c1cccnc1 1811268070 YBLQSEGGWPEVEZ-IFXJQAMLSA-N 451.464 0.559 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1812872777 IADNXTJNDPHJCR-BBTUJRGHSA-N 486.525 0.811 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814813375 HAQAYOWZHJDOGI-IPYPFGDCSA-N 492.602 0.565 30 20 JCED N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)CC3)CCC1 1828007612 FIPCRWQAZZFBIR-CYBMUJFWSA-N 451.574 0.479 30 20 JCED CC(C)[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330662 NMMGKBCDCOJACB-ZJSXRUAMSA-N 471.510 0.543 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1829765060 FMQJETZRRNNVJO-XXXZYALBSA-N 457.527 0.518 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3occc3Br)C2)C1 1829766028 GTVOVCAHISRREH-XQQSMPNESA-N 482.331 0.971 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4c(C)cc(C)nc34)C2)C1 1829771124 HBDGNIVJHSXBTC-ASYDGFSTSA-N 481.553 0.880 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1829773636 OXBARTBAEIXNQV-NBBDWSPISA-N 458.515 0.164 30 20 JCED O=C1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CN1 1830464608 OPKOCHRRATUKLQ-MBSDFSHPSA-N 459.930 0.674 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@H](C(=O)OC)C3)CCO2)C1 1830716241 YUSQOLAWQUFGHK-ORQYLMBXSA-N 452.548 0.605 30 20 JCED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830741282 KASIPVABEXUFGU-MHECFPHRSA-N 495.621 0.885 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1830885897 MYPSPKQLCURHGJ-WVMBUTMQSA-N 495.573 0.612 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1831387944 UKZJNTHMCDGYNV-JPYJTQIMSA-N 461.584 0.601 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[S@@](=O)c3ccccc3)C2)C1 1831401874 HIYGLBVKEHYJDM-WTYYVTIRSA-N 462.568 0.677 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCc3ccc(OC)cc3)C2)C1 1831402248 RLXBFGVJQMPITM-YADARESESA-N 460.527 0.707 30 20 JCED C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(F)(F)F 1832160751 PKHAQOFWRYZEEL-SZEFXRTJSA-N 467.441 0.285 30 20 JCED C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2)C1)C(F)(F)F 1832247007 RHYSXGPEBHCJGJ-CHWSQXEVSA-N 484.321 0.111 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1832801036 PGWVGHVYVGAMBB-NRFANRHFSA-N 454.443 0.433 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833027405 CVXBURZGQDKGSB-OSPHWJPCSA-N 472.542 0.643 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833619554 ADGLHBDGZDVBGZ-DEOSSOPVSA-N 481.557 0.619 30 20 JCED COCCn1ccc(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)n1 1834715140 DJONCXJZDHJQIR-UHFFFAOYSA-N 473.622 0.997 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)c(OCc4ccccc4)c[nH]3)C2)C1 1834756149 MKNSADFSZBMYSW-DEOSSOPVSA-N 466.494 0.938 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C[C@@H]2OCC[C@@H]21 1834769019 VMFMKWLEUCKEKK-XMODTWTHSA-N 492.573 0.771 30 20 JCED O=C(Cn1ccccc1=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1834824343 USMHCFCEXZSEIX-MQHZAWOVSA-N 473.574 0.949 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)C1=O 1835100333 MWSHDSAGCDZZGO-AREMUKBSSA-N 473.485 0.943 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1835674752 LOMSFQXWSYRUHB-SQJMNOBHSA-N 469.586 0.439 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1835677245 CQNNXHOVFSRKCS-XMMPIXPASA-N 481.557 0.824 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1835682433 IOZHAJALWUMANU-HSZRJFAPSA-N 472.521 0.825 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750616 FMXJEMGIQTVXNF-LJQANCHMSA-N 496.674 0.584 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1837077037 WBXAYAXYRTXHRO-QGZVFWFLSA-N 450.536 0.110 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837138310 YCFMYRMUKOOJLO-OSPHWJPCSA-N 471.510 0.465 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)ccn1 1837528399 JBBZYFOVQGIUEJ-XCUVTCGESA-N 489.529 0.639 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1837531464 NHSDEPFPXDLUIK-MSAWBSESSA-N 498.483 0.842 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838477842 MTDKJSLAQKFMOJ-CSOJOJLQSA-N 456.455 0.592 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CCc1ncccc1-3)CCO2 1838481465 KXKJTJDFEMZEEU-HSZRJFAPSA-N 450.499 0.944 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=CC(C)(C)N(C(=O)c4ccccc4)C3)C2)C1 1839810627 JNZWEQXGTLWSRK-RUZDIDTESA-N 451.523 0.937 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1839881941 OPUVAKMYQKQNRH-WVMBUTMQSA-N 496.605 0.827 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1)C(F)(F)F 1839894795 RRSZVGXQOUUERY-HXUWFJFHSA-N 498.495 0.258 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c2cc(O)ccc2n1 1840042299 MLCZVZJPOCGSQJ-HSZRJFAPSA-N 453.451 0.407 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnc4ccccc43)CCO2)C1 1840101705 SRTAOIITYBPMBU-DEOSSOPVSA-N 468.558 0.775 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nnc(Br)n4c3)C2)C1 1840159949 RTMBHGQNSMJSSQ-XIKOKIGWSA-N 484.376 0.880 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840162647 CVVDNIIWTYZTNV-AVYPCKFXSA-N 461.581 0.037 30 20 JCED O=C(CNC(=O)C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1840201657 CAUBRLXWWZSFPH-ZDUSSCGKSA-N 453.311 0.022 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)c(F)c1)CCO2 1840526100 YYWQFLYWUKETOA-WNWNSBFKSA-N 475.517 0.692 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816497 WUIOUGWBPFRWFD-QFIPXVFZSA-N 453.536 0.206 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1840907259 SMOIEFXZZIBOOE-GAJHUEQPSA-N 465.547 0.396 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842874655 BJLUUBCSXHJHSD-HNNXBMFYSA-N 474.495 0.774 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1847813531 KFQPZVCFKKYMIE-KBMXLJTQSA-N 460.556 0.634 30 20 JCED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 498187119 YXDYYUWJPXONTC-CALCHBBNSA-N 466.608 0.844 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 523256665 PZYUYWBNLNKGJX-UHFFFAOYSA-N 496.614 0.943 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c(Cl)c1 604270002 BASROIOUEZFSMC-UHFFFAOYSA-N 474.970 0.785 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(OC)ccc1OC 608826765 MQMOGDNIXMABFX-AWEZNQCLSA-N 483.550 0.304 30 20 JCED N#Cc1ccc(N2CCC(NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)nc1 608951154 UMGCWUMRCRLKNO-UHFFFAOYSA-N 468.539 0.473 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cccc4cccnc34)c2=O)cn1 726180261 DGTBUCXRRKCZLR-UHFFFAOYSA-N 474.546 0.929 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)c1 805699666 NUODEFBBUMRFCS-KRWDZBQOSA-N 470.569 0.571 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 893329943 ZSKIBZCJXJLZEA-GFCCVEGCSA-N 459.908 0.918 30 20 JCED CNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 915383998 FOZYTHZVYPXWNI-UHFFFAOYSA-N 461.500 0.577 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCCN2CCOCC2)c1 918269391 DFEPLCZKKQEXIL-LYBHJNIJSA-N 465.576 0.667 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(=O)N(C)C 918730197 QUJUWYVAVJZPBS-UHFFFAOYSA-N 475.368 0.566 30 20 JCED C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1288933004 LGRYOKCUYBDDLX-JNAXZKDPSA-N 465.507 0.836 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1295336380 PSMUXSGOEJJJNH-UHFFFAOYSA-N 452.563 0.895 30 20 JCED COCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1316071574 LYCOTCAUUZEHIY-FXAWDEMLSA-N 469.612 0.319 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)c1 1316336549 NCHHEIJKQOUQNQ-GOSISDBHSA-N 460.560 0.800 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCO1 1611707276 NWZBGERYVJKLRP-NVXWUHKLSA-N 460.564 0.661 30 20 JCED C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1618176808 VZZIUNWGUFDFON-QZTJIDSGSA-N 456.572 0.947 30 20 JCED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1618469562 YQOVLJMMHWAOQW-HSZRJFAPSA-N 452.563 0.094 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCNS(C)(=O)=O 1692538862 OABBYLRPTICHEB-UHFFFAOYSA-N 495.009 0.817 30 20 JCED C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N1CCOCC1 1692664672 XVFNXHMVACRVGU-INIZCTEOSA-N 475.575 0.793 30 20 JCED COC[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697734537 STSHRIKHJKVMGU-HZPDHXFCSA-N 462.580 0.764 30 20 JCED CN(C)CCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1766928539 MJJHSNQJISXFQS-NQIIRXRSSA-N 467.615 0.896 30 20 JCED CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1767932199 JOPGHFOUPNJVDB-GOSISDBHSA-N 474.591 0.832 30 20 JCED COC1CCN(C(C)(C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1770614921 SXHGZBKOKMIDLW-WBVHZDCISA-N 469.612 0.506 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1779179398 BYUCTWNLHWUMIT-BXKMTCNYSA-N 462.510 0.805 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1Cl 1779879226 ZOQUDLKNZXFKAJ-NRFANRHFSA-N 454.874 0.858 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781044713 DSSCEYHOWRBLTQ-UGCAPWQASA-N 486.569 0.410 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)c(C#N)c1 1781171339 SIGPQJSUNYBICW-KSFYIVLOSA-N 463.556 0.620 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781250648 DCHTVMMKHUIXLD-FPGHNAPASA-N 472.542 0.822 30 20 JCED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1782175932 CAHMWZNTCZGXMV-ONMBFMMNSA-N 463.600 0.998 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2)NC(=O)OC(C)(C)C 1783094923 RASKUUXKYDUBJX-VOLVWJTLSA-N 467.611 0.646 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C2 1783268253 MSVCVFGYMXZNSD-UTBIRPSLSA-N 478.590 0.928 30 20 JCED COc1cc(Br)ccc1CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567111 GXAKSXKJFGOZTR-HXUWFJFHSA-N 465.300 0.918 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567232 JYYWMDQKJYDTDO-NPGKMWDHSA-N 475.542 0.797 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1788569979 ILVHTDMEEZPFOA-OYSTVDSJSA-N 483.606 0.815 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(-c4ccncn4)noc3C)[C@H]2C1 1789191423 BBXDCUMMCIUULT-TYEGUXDJSA-N 480.525 0.892 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(N)=O)[C@H]3C2)CC1 1792282488 GZVQBAOKHIJUFH-ULQDDVLXSA-N 492.577 0.175 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C)C2 1793340379 USFPTUGELONHQU-HMGBVJPOSA-N 479.574 0.639 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1793349258 MTCNFLHPSSOJKN-RMFSNUHRSA-N 465.572 0.812 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1793664452 CUVVMWJXJPTWLM-FCGDIQPGSA-N 495.617 0.911 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)cc2C1 1795081573 JPZBEAJEKATABY-CCWDJLKJSA-N 458.519 0.751 30 20 JCED Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c(C(F)(F)F)n1 1795598881 CXHJWCQIQQRZAZ-AGGWBTHJSA-N 456.469 0.924 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C)cc(C#N)c2)C3)CC1 1797307504 BDWQXXARXDFPIE-IUTQVRIDSA-N 453.543 0.234 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797835495 HBJSPXASZRFZNA-JYQJLIFWSA-N 464.519 0.174 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO 1799339655 QBPUYTUBQPTNFJ-XAPVIXHLSA-N 475.542 0.456 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799745072 PMJLLTCMZCLIDQ-WTLGNFPFSA-N 476.505 0.786 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800297971 JZSZMXYSXCWWDC-QTQYAOCESA-N 457.571 0.803 30 20 JCED COc1cc(Br)ccc1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800781186 MAIHTEXVAFJWFT-VTEUUUEMSA-N 465.300 0.678 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC(=O)C2)N(C(=O)OC(C)(C)C)C1 1801070665 IKTVUJXOEDDANS-PKRADWSKSA-N 476.574 0.668 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cc1F 1801871428 QKBLCUZLIIMHCK-IXLLBFHCSA-N 497.545 0.961 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccnc1 1802480086 AGFGCAYNAWKLPL-SXZZRKSZSA-N 453.459 0.891 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807950533 UODBEKJQJHFGES-XJKSGUPXSA-N 458.429 0.739 30 20 JCED COc1ccc(CC(=O)N2CCC3(CCCN(C(=O)CC[C@H](N)C(N)=O)C3)CC2)c(C#N)c1 1809827303 XELDEGGEEIIBHD-FQEVSTJZSA-N 455.559 0.933 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1810278352 DYWCEKVDFBWMLR-XKZSNAAGSA-N 455.519 0.111 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)NS(=O)(=O)CC)n[nH]1 1815164075 IEBMYDBDLCJKEO-SYMMMWLZSA-N 466.564 0.588 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1828922197 AGLGPDYECBMTDP-DEOSSOPVSA-N 496.524 0.294 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829051219 YAAGQPWOVWNMJR-WZOHSFFVSA-N 487.601 0.298 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCN2C(=O)OCc1ccccc1 1829113490 KOUHRWJFGVPRLP-WMZHIEFXSA-N 472.498 0.136 30 20 JCED C#CCCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334761 MTLAPFWPWYQYBM-XMMPIXPASA-N 451.479 0.940 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1829768942 LAMFHJWZFQVGOQ-YJMIJIGASA-N 480.525 0.196 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccc(OC)cc1)CCO2 1830211446 VCFGXCBPNOOVLH-WBCAZHLISA-N 473.526 0.043 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831316859 GBNKDOTYSLHQKI-JPYJTQIMSA-N 492.598 0.275 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CCN4CCCC4)nc3)C2)C1 1831391936 GYVUBVRRZZBARI-HFZDXXHNSA-N 484.597 0.828 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1831397545 SDGUCARWBHSOAM-JTSKRJEESA-N 453.536 0.394 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1831412526 RRDVSVHYZLOYLF-NFBKMPQASA-N 452.596 0.062 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1831425115 QQLSVLQCHAGLRQ-VGOFRKELSA-N 481.571 0.287 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832522303 ZIRXSBVHQGZTQG-OBLSJGNOSA-N 450.580 0.713 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4nnc(C)o4)C3)C2)c(O)n1 1833699148 SSVFFKXIUJQWLM-HSZRJFAPSA-N 471.514 0.910 30 20 JCED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1834852780 STBVRYWKYCXBAC-FQEVSTJZSA-N 484.431 0.995 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cn1 1835098265 FNZIPEKDUXDARR-RUZDIDTESA-N 497.573 0.748 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1)c1ccccc1 1835123929 XBGACOIWGHNWJK-TYBLODHISA-N 453.539 0.919 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4I)C3)C2)CC1 1835344668 OYZCDHXHMHYSNI-KRWDZBQOSA-N 485.282 0.388 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835644200 JTRAZHWIQYDDPY-WXWJXLOASA-N 483.566 0.152 30 20 JCED N=C(N)SCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835652191 VXMQUTICHVUEFA-OAQYLSRUSA-N 452.577 0.158 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681131 QEUMNSMZFNNBOC-UQBPGWFLSA-N 485.585 0.543 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)cc(C(F)(F)F)c1 1836148935 INYDJOWUZNTZQO-IBGZPJMESA-N 479.419 0.334 30 20 JCED CCOC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)ccn1 1837445081 BOAIJQKDKNKOSG-AQPAOHHBSA-N 487.557 0.800 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837466645 GVRFNTJKDMDXNQ-OAQYLSRUSA-N 479.990 0.766 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837527692 SXJZKMHKXVJEAS-VDTGVWRYSA-N 472.502 0.557 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1837661310 FANGFWJFBOQGNG-JOCHJYFZSA-N 471.620 0.166 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CCNC(=S)NC)CC2)CC1 1838395859 ICLAXOYSSYRSEI-UHFFFAOYSA-N 468.620 0.978 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)c1 1838736342 ZEWJHSHUTWRLHG-DEOSSOPVSA-N 476.493 0.749 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838764961 AUMAYHNSMXUAME-KPZWWZAWSA-N 461.441 0.467 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1839176415 NFJKECZTMFHUGM-YZYNAAERSA-N 497.548 0.862 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839194470 LGUYRGORSPYREN-YADARESESA-N 497.589 0.149 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363305 CPEDZIACQBSWRS-DVECYGJZSA-N 488.541 0.666 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])CCO2)C1 1839462437 MPDHEHDHPQNPDM-MWTRTKDXSA-N 489.481 0.490 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3c(C(F)(F)F)cccc3n1)CCO2 1839494544 GRAUQAOWJSFVFH-FQEVSTJZSA-N 480.399 0.511 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)c1ccc(O)cc1 1839665617 NDRXFVSCFQKLKN-RLWLMLJZSA-N 494.548 0.603 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)CCO2)C1 1839737451 LZLWBUDMLTVIPQ-LRAJWGHMSA-N 484.475 0.638 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1839762061 UAEXUHTUTUNNJO-QHCPKHFHSA-N 481.509 0.848 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc(F)c1F)CCO2 1839980560 XKXFDGQYMXUIIU-KSEXMQBYSA-N 463.481 0.822 30 20 JCED COc1ccc2c(CC(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c[nH]c2c1 1840040110 OLHCFINTHDVLJP-HSZRJFAPSA-N 455.467 0.263 30 20 JCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1840147494 VMZSBNDNINRSRC-BMZXHMDVSA-N 478.590 0.894 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1)c1ccc(O)cc1 1840221510 VQRJQJNKDJCHLF-LJFZDNNRSA-N 471.510 0.454 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251805 ZDOPUPQKUAXSTF-CYFREDJKSA-N 489.573 0.905 30 20 JCED Cc1cc(C)n(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1840346245 MGFHLVQDZWFZHY-HSZRJFAPSA-N 460.579 0.628 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1)NC(=O)OC(C)(C)C 1840795972 MDEQWXMXDAJQTG-DGGJZMOXSA-N 496.561 0.411 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820425 OTWFQHFYLMRFIY-DHIUTWEWSA-N 475.498 0.009 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1840906842 KOXIOSNNVCUHMF-HXOBKFHXSA-N 475.546 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(C)=O)C2)C1 1840909462 ZZNKTQVJBMIRIP-YIGJPRQDSA-N 479.574 0.975 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)CCO2 1840955907 SBAGHGUQRMQFNG-JTSKRJEESA-N 465.547 0.538 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C 1847804118 DIYNIZIPWHXQNR-QAETUUGQSA-N 451.520 0.683 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCN(CC(=O)N(CC)CC)CC2)cc1 517160983 VAJYIBHJTZBYJG-UHFFFAOYSA-N 493.630 0.834 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(OC)cc3OC)c2=O)cn1 523863860 DVONUJJXBUQMQI-UHFFFAOYSA-N 465.535 0.914 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)cc1 524281090 FYELGVIIXQPOKT-UHFFFAOYSA-N 476.514 0.617 30 20 JCED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 524281899 GBNQCPXRFVWXJX-UHFFFAOYSA-N 499.593 0.768 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)cc(C)c2)c1=O 553273093 ABYIENPSPKMNMX-UHFFFAOYSA-N 498.649 0.905 30 20 JCED Cc1ccc(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)cc1S(=O)(=O)NCC#N 563465989 FOVZMYMAYABOLC-UHFFFAOYSA-N 467.511 0.957 30 20 JCED Cn1c(=O)c2cc(NC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cnc2n(C)c1=O 603685461 SCOXCFWTSTUIGV-UHFFFAOYSA-N 450.459 0.723 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(=O)N(C)C 604269889 HOHYSISSEKKYKE-UHFFFAOYSA-N 483.377 0.570 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 604270480 RLCPGLJPEXEQDQ-UHFFFAOYSA-N 466.563 0.495 30 20 JCED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434400 SRMXLXAQMAVKFX-UHFFFAOYSA-N 456.480 0.781 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1=O 726042946 PQSMPXSDAPOZHX-UHFFFAOYSA-N 457.487 0.287 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c1=O 727425260 WCDDCLFBZWLSHL-INIZCTEOSA-N 495.536 0.816 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)O[C@H](C)C(=O)N(C)CCC#N)c2)CC1 729306437 MCVJTWBCWFETMQ-OAHLLOKOSA-N 450.517 0.457 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCS(C)(=O)=O 729671154 JIKCPIBIILCTNP-UHFFFAOYSA-N 455.508 0.260 30 20 JCED N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(N4C[C@@H](C(=O)O)CC4=O)cc3)CC2)c1 914792036 ZQOIZXFLJKDYIE-INIZCTEOSA-N 455.496 0.902 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCOC 916198540 NPJHFSLKAYHEDB-UHFFFAOYSA-N 452.536 0.760 30 20 JCED CCNC(=O)CN1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 916694749 VLOYRVHTMHBVRA-NKFKGCMQSA-N 450.565 0.785 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cc1 918170534 SPNOSARAONZFBQ-UZYVYHOESA-N 456.590 0.949 30 20 JCED N#C[C@H](C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1nnc(N2CCOCC2)n1-c1ccccc1 1344538973 CRBZIRCYEFXGBD-QXAKKESOSA-N 498.565 0.316 30 20 JCED C[C@H]1CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)C[C@@H](C)O1 1545098905 OBRSLSFWLHMQNH-OKYOBFRVSA-N 483.639 0.849 30 20 JCED CCS(=O)(=O)NCCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617398764 QWJALPXZIPOXCC-UHFFFAOYSA-N 481.586 0.796 30 20 JCED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1631745297 QZLWMULNTVNOEK-HNNXBMFYSA-N 456.528 0.957 30 20 JCED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1712702424 QUSMKCZDNIPJHX-UHFFFAOYSA-N 458.544 0.880 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCCN2CCCO)cc1 1731185339 YSVYABIAUADESG-LJQANCHMSA-N 474.587 0.810 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCSC2)c1 1747603288 UOLPDXRYDAFWEJ-OXJNMPFZSA-N 478.600 0.792 30 20 JCED C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 1751245786 IZFLDKZOOYRSBY-JVPBZIDWSA-N 468.511 0.554 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1766878086 RRFAGMOPGDJQLI-HXUWFJFHSA-N 480.573 0.560 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778899303 MNWGKISJWIPPQT-VLIAUNLRSA-N 491.463 0.838 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C3)C2)c1 1779076386 ZCGAWEBTYFSHQW-REWPJTCUSA-N 473.482 0.505 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779316884 GQOZADGASOOFAV-PGRDOPGGSA-N 454.487 0.029 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2cnccn2)C1 1779471901 XXVSHPAKDNKNIZ-IYBGNGRRSA-N 473.574 0.682 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]cc2I)CCO3)c1 1780335412 SXXNQTFTUSGKPD-KRWDZBQOSA-N 480.266 0.971 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)[C@@H](O)C1 1781112766 DRPNGCZWZVFGFV-LQMYNRDGSA-N 490.557 0.756 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1781695782 DDLTYKASGYFSNI-AUSIDOKSSA-N 483.550 0.425 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782006434 PVABQSPPYWVYSY-HZCFWTAGSA-N 475.542 0.988 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1782085685 FDPMXADGBVKVMU-KSEXMQBYSA-N 486.481 0.683 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783131868 IYECLDSZOQUNMD-LYHRCORUSA-N 457.531 0.898 30 20 JCED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1784031218 ZSEXHCZMQUMBQP-UFYCRDLUSA-N 453.605 0.465 30 20 JCED O=C(CNC(=O)c1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1785169397 STKCJIJICDFRCT-ZKQGMLRPSA-N 473.530 0.320 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2)NC(=O)OC(C)(C)C 1785302632 ZKBTZOURQHMKTD-QMHKHESXSA-N 493.561 0.228 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CCO[C@@]4(CCN(C(=O)C5(C#N)CCC5)C4)C3)csc2n(C)c1=O 1785367191 AMFIHNKNMBIVAA-QHCPKHFHSA-N 485.566 0.365 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)CCO2 1785430235 RMSNFFCKVWBLRH-HSZRJFAPSA-N 462.547 0.309 30 20 JCED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)nc2nccn12 1786859851 JVFCPQKKIYQZNT-LNLFQRSKSA-N 453.547 0.913 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1787124805 LWZXRWZHVACMNJ-RABCQHRBSA-N 479.574 0.375 30 20 JCED CC(=O)Nc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)ccn1 1787772868 PLWLUYRJOMVEDG-FHWLQOOXSA-N 456.547 0.915 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788627448 COOZTTBGNZQSMO-OAOVRZJLSA-N 460.535 0.786 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788680173 URHALMFSCCBOQZ-UZASTDDKSA-N 464.519 0.521 30 20 JCED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21)c1ccccc1 1788706553 KLLOBQLEMOXHFR-IJELJUKBSA-N 469.582 0.814 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]21 1792266818 ULOPGPGNIYLJNL-VRDPRIIGSA-N 478.590 0.960 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1792779910 PTQZAUZPBMIVNM-SQIXJKHYSA-N 485.585 0.227 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)cc(C(F)(F)F)c1 1793944858 DCUSXRJRUAJUFI-YXPYIKCWSA-N 479.415 0.378 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1799365912 AQLQFPRPPQFBMC-LVEJAMMSSA-N 470.567 0.653 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)C(=O)C1 1802187904 LBCWFPXQLFMCCK-XEMDLRDOSA-N 489.573 0.349 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)c1 1804356467 ZBNONYCLGPUOQX-LKUPVBHCSA-N 476.493 0.880 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1807738422 QDIIMULTSQSRAG-TVAQVYIISA-N 498.565 0.411 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810360447 JCSQQJLORSTKNF-SMIYSGOOSA-N 475.546 0.267 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815603512 ZUTBIYAXMKIGEC-MRXNPFEDSA-N 465.470 0.904 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2)CC3)c(C#N)c1 1822809961 NNTQQTFZIAGLJW-MPGHIAIKSA-N 455.540 0.901 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827401859 DZDJQJUXGLBKEK-IBGZPJMESA-N 490.524 0.997 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCN2C(=O)OCc1ccccc1 1828954056 KMKZUBDTZQRNRD-NRFANRHFSA-N 493.457 0.077 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1829267132 RYEZCHLIIHMNGE-HSZRJFAPSA-N 471.583 0.556 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cc3cnccn3)C2)C1 1829330438 GYDVRFWREFEFDX-VWLOTQADSA-N 491.504 0.559 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)cc1 1829628133 LHLIJPDJQPSNBH-HSZRJFAPSA-N 482.497 0.752 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1829771249 NGKGENMUBQYOFI-XLQQFJOYSA-N 478.509 0.363 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCOC[C@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)C1 1830064417 LFERZIZCHZIEHY-GOTSBHOMSA-N 480.562 0.364 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/C(=O)NCc1ccccc1)CCO2 1830675159 MWTNIJXYLSTCEA-LJODHNBYSA-N 496.564 0.174 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H]3COc4ccccc4O3)CCO2)C1 1831228838 MXQDETHFRBZHKJ-CLOONOSVSA-N 486.569 0.955 30 20 JCED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1831277488 ZOXRFBBBBDVHOK-HXUWFJFHSA-N 468.432 0.783 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1831425962 CPVHTSWHYIAEST-JJTGBXKASA-N 487.597 0.935 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1832446665 DRSQFXHVZCFNHN-IIBYNOLFSA-N 473.592 0.248 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCN(C)C4)CC2)CC1 1833077203 SWYIEBQCOJJKOQ-WAYWQWQTSA-N 497.644 0.762 30 20 JCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1833427061 BRXSQAQBZCGYJF-UHFFFAOYSA-N 450.605 0.397 30 20 JCED NC(=O)[C@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1834733190 DKHHGLMCCUAPJK-MJICGBHWSA-N 475.615 0.651 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCCC2=O)CCO3)c1 1835405567 ARWGVRJHMATQLX-DEOSSOPVSA-N 454.527 0.570 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835504103 IQXOKPMKEAAQDI-YCRPNKLZSA-N 485.607 0.539 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c(C(F)(F)F)n1 1836321965 SBQBTEMUALCATQ-OAQYLSRUSA-N 491.426 0.989 30 20 JCED N#CCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)cc1 1837046710 SWQCKHRJRRKRIB-UHFFFAOYSA-N 467.526 0.917 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1Cl 1837274513 ICPACVUSRZGDAC-OAQYLSRUSA-N 473.921 0.615 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1837394426 AIVRCMRRZBZXBG-JPYJTQIMSA-N 478.546 0.805 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1837443416 JSPJAXUBCYGUBN-LPHATQMZSA-N 472.542 1.000 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530991 VWVGDCOBDIEZIG-DKQIIYKESA-N 471.507 0.533 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837921905 UJVHSIRBOFJMFL-FQEVSTJZSA-N 450.927 0.482 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838118494 RSPKXXHHMFEJIU-RLWVUDJFSA-N 481.557 0.809 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(-n5cccn5)nc4)CCO3)C2)c1 1838120036 DIDAQRQSEDVXDW-QHCPKHFHSA-N 461.482 0.851 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598389 FHOSWXNNAJNUMU-NYHFZMIOSA-N 460.918 0.972 30 20 JCED C#CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)CC1 1838744650 NCVQYYVAVIHAJA-UHFFFAOYSA-N 489.594 0.953 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839106161 HCBZQBCNRWAUJY-XMMPIXPASA-N 460.619 0.991 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)c(C#N)c1 1839131943 JJVMGSOHGUFWLU-DEOSSOPVSA-N 482.493 0.686 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1839173164 CICFIZQEGJQEHM-HSZRJFAPSA-N 465.547 0.355 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1839173435 PIXUYHKAMURZSF-ZWKOTPCHSA-N 452.426 0.266 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)CCOC1 1839191272 BIPRYBIVQAYZRU-YADHBBJMSA-N 466.535 0.430 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1839226087 DOPRUHBQSUNIQB-KNQAVFIVSA-N 465.595 0.024 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810122 FDDPALYBMGHLCL-QHCPKHFHSA-N 473.530 0.374 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cc(Br)ccn4n3)C2)C1 1840042140 CRBNJSBBQSIHNM-HXUWFJFHSA-N 491.298 0.255 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(C(F)(F)F)c1 1840044523 KXVTWFISBRAKRK-HXUWFJFHSA-N 470.400 0.872 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1840171471 HPVOVGJPKMGHGU-XMMPIXPASA-N 455.511 0.634 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)n1cnnn1 1840474574 XBXDASRQMVUTNK-IERDGZPVSA-N 458.906 0.396 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4ON=C(c5ccccc5)O4)C3)C2)CCC1 1840813856 AGPFTOLEYDBLGT-NZQKXSOJSA-N 454.483 0.871 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840820662 CZYJZFGXSVVEOF-QFIPXVFZSA-N 454.487 0.075 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840844931 UKCWVOFMPJFCCD-GOTSBHOMSA-N 465.547 0.228 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840903846 JPPDICQTTZBQFI-YADARESESA-N 459.543 0.772 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1840912934 SYBFXDSIVXYUNA-UZFJHSOTSA-N 475.546 0.949 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 1845137426 UFZXFIRMRCELQI-GOSISDBHSA-N 491.589 0.882 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc12 12427490 LSGYGAPJZZPJEG-NSHDSACASA-N 467.511 0.573 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)n(C)c1=O 33144001 WWBAGBVPIFTUAP-CQSZACIVSA-N 465.514 0.803 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2S(=O)(=O)N2CCOCC2)c(=O)n1C 500539223 PCVAPJDNPHXKQU-UHFFFAOYSA-N 461.565 0.196 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 512885222 MMDIBTCJTYZZFG-UHFFFAOYSA-N 468.513 0.767 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)sc(=Cc2ccnn2C)c1=O 523466515 LTMXOLNHXVCLGP-UHFFFAOYSA-N 492.605 0.532 30 20 JCED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 603998398 OGJAKZPIVSXIHF-UHFFFAOYSA-N 471.604 0.960 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 727010885 PUPLKUUGXBUPOQ-ROUUACIJSA-N 463.512 0.026 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)c(Cl)c1 729671093 GYXZECTWMWKQQQ-UHFFFAOYSA-N 498.026 0.892 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@@H]2Oc3ccccc3NC2=O)CC1 749941926 RALXOHKPJQKTFB-IBGZPJMESA-N 498.517 0.724 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3cccc(C(F)(F)F)c3=O)CC2)o1 915378258 NBEIMKFFQPPGPX-UHFFFAOYSA-N 453.377 0.927 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 918254054 GIWWWTRFVIXFQW-PLRJNAJWSA-N 475.571 0.955 30 20 JCED C=CCn1c(-c2ccco2)nn(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1=S 921045317 LFWWWLGQPHVSIG-HNNXBMFYSA-N 487.629 0.952 30 20 JCED C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1301009524 MHXQQJQFKNAEBU-OALUTQOASA-N 495.627 0.948 30 20 JCED C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N1CCOCC1 1360584572 YGINUYCJRCAUSK-LJQANCHMSA-N 483.573 0.744 30 20 JCED Cc1nccn1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1542977840 ZEKYIKDLAWKIPO-QFBILLFUSA-N 466.543 0.648 30 20 JCED CN(Cc1cccc(Br)c1OCCS(C)(=O)=O)C(=O)Cn1cnc(C#N)n1 1616575943 WXKNBTRLCSFFJB-UHFFFAOYSA-N 456.322 0.994 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1617706548 XRCMUOIQQCNPAO-UHFFFAOYSA-N 468.543 0.365 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CCC1 1706748188 TUTBVONOXKUXJR-HUUCEWRRSA-N 474.609 0.317 30 20 JCED CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1710907334 YZHFEAPJPXTYNF-JGCGQSQUSA-N 461.596 0.425 30 20 JCED CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)c1=O 1746361266 YHEGXNNIAVCLEN-IBGZPJMESA-N 489.602 0.971 30 20 JCED C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1752445717 GIQLPWFIRLWUGY-HOYKHHGWSA-N 483.573 0.479 30 20 JCED COCCN1C[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1=O 1769875392 IPHSTZXATKELSL-WMZOPIPTSA-N 458.567 0.088 30 20 JCED CCOc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cnc2c1cnn2C 1777801865 XZVOGMYACUAUIT-UZUQRXQVSA-N 469.498 0.583 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1ccco1)C2 1779362675 MNAWQWFZFUPEKZ-OTHBRBSCSA-N 459.547 0.995 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780921863 BHWWXKJDIQPGOZ-OAQYLSRUSA-N 496.536 0.883 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1781114753 LVAKDPFRSIQXAL-SAHWJRBASA-N 462.547 0.738 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(OC)nn2C)CCO3)c(C#N)c1 1781174091 GSGUIGOMJCLCHP-HSZRJFAPSA-N 453.499 0.995 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)[C@@H](O)C1 1782009652 SEMQMESPPTYMTA-MNFWLRKXSA-N 493.557 0.206 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782197689 CJRVZXTXRNMSLI-DEOSSOPVSA-N 485.541 0.948 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)N4CCOCC4)C[C@@H]32)cc1 1783443457 XKVVHGPBRBVMHQ-VVSUKSJXSA-N 456.543 0.121 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3COc4ccccc4O3)C[C@@H]21 1783529152 FNUBSCCEQGQSHM-AWCBDZEVSA-N 455.511 0.665 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nc1Br 1783567341 XBNHDNRMMMHZGF-SFHVURJKSA-N 452.261 0.384 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783993553 ONPSOIBFQCGTMW-JCECYMMASA-N 469.579 0.425 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]21 1784784739 SKNDHCKPQIBPQC-RFZNHBKKSA-N 466.579 0.960 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1785380070 NFDJGUFLSOXMTM-LJQANCHMSA-N 455.389 0.872 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785585073 LWBHFTGJLPEKMA-PDWMJMLSSA-N 451.545 0.670 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786370007 CNMLKRUAZRVBKP-XSLAGTTESA-N 479.578 0.641 30 20 JCED CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(C#N)nc4C(F)(F)F)[C@H]3C2)CC1 1787199244 IQVJDRVPTDYRRR-SNRMKQJTSA-N 494.518 0.813 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21 1789912504 VYBWHKYFYLVAIV-OKYOBFRVSA-N 461.515 0.148 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnn3)C[C@@H]21 1792257239 SIIHYNNNAJLYSG-BMFAXAFESA-N 457.531 0.987 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1792272998 XHGBVWDGUQMPAA-TUFLPTIASA-N 498.580 0.787 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2 1793355784 QUYOYHYXHATMSY-AVEIZBFRSA-N 455.552 0.707 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCCC1 1793807313 XCKOGZDIBZIGPN-NHKMSHSESA-N 454.527 0.929 30 20 JCED Cn1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c1C(F)(F)F 1794275813 ZCOTXQSSUQISCF-AGGWBTHJSA-N 456.469 0.924 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N)N1CSCSC1 1795599159 XOCJRDATKUBVTI-WCXIOVBPSA-N 455.650 0.901 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(N3CCOCC3)n2)c1 1796618331 MPMYFYVBJVWYRN-UPHUGPLXSA-N 450.499 0.635 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OCC)nn1 1798756120 DHYUPHUCSWLBPT-YNVMFWSZSA-N 487.557 0.995 30 20 JCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1 1799092412 QCUCWPFJPRQXEE-WEMPKCCASA-N 484.509 0.792 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1799321490 CHZMSUQSXTYCOS-DFGXFYAUSA-N 463.539 0.122 30 20 JCED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOCCOC 1799383063 MIGQIHNGESKZGH-KEZQHZCBSA-N 456.580 0.875 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1799391820 QFPYWPQIGLZFSV-GGXPGOJBSA-N 466.560 0.630 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1F 1800399277 YWTVJVSAEMYWNS-JLRLZTEKSA-N 460.462 0.724 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O 1800517483 VVGNYXXMCNXDIO-CLWJZODNSA-N 464.563 0.538 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(N)=O)C2)c1ccc(O)cc1 1801054200 NXMLCHZMWOIQSL-DCIOMXRHSA-N 456.543 0.926 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1)NC(=O)OC(C)(C)C 1801071695 UIBZRIDOZYOZFP-ZIKOTGLESA-N 478.590 0.962 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1ccnn1 1801390712 LQASPLRTLREYNN-SFNKJDCFSA-N 462.551 0.727 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)CC1 1801966333 WXSIUBPAOPOLKC-IZZQQSIFSA-N 461.563 0.432 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C2)C(C)(C)S 1802181088 LSEHDRSJLBTZBT-JRBZFYFNSA-N 485.651 0.819 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@@H]1c1cccnc1 1802482821 PKSFFEORCZVDIK-BDGDHSELSA-N 464.482 0.748 30 20 JCED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2c2cccnc2)CC1 1806849658 DLLPMIFJIWTFRO-KSSFIOAISA-N 454.512 0.856 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1807195200 BJLKEVNHURHHAT-MSYCTHLASA-N 464.526 0.631 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1810246425 YDOIQWAWNKNYGJ-SVFBPWRDSA-N 478.615 0.391 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)[C@H]2c2cccnc2)c1 1811539835 YFJCNBDVKXWWOX-JXFKEZNVSA-N 458.482 0.855 30 20 JCED Cc1cn(CC(=O)N[C@H]2CCc3nc(NC(=O)C(C)(C)NCCC#N)sc3C2)c(=O)nc1O 1814985827 QSCNAJNJBOELES-ZDUSSCGKSA-N 473.559 0.608 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3n(n2)CCNC3=O)n[nH]1 1816622357 FHBZCVKIRNWCLJ-WLMCBFPDSA-N 466.502 0.514 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)CC2 1819774511 QNVDTIXSDZYUBF-NLTBIBMSSA-N 491.599 0.992 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1819899802 AUDMJJQDOMROCO-JIDMFOLKSA-N 499.615 0.315 30 20 JCED COCCOCCOCCOCCC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671058 XCCVZDOIDCHJLN-HNNXBMFYSA-N 483.543 0.229 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cnc(O)nc3O)C2)C1 1828806480 UULATSGKEHVTNH-QHCPKHFHSA-N 480.481 0.867 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCN2C(=O)OCc1ccccc1 1828969404 DUTPQCMAGLPUTD-NBGIEHNGSA-N 483.569 0.445 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1829267417 OZYNPAFJEQXCOT-RPWUZVMVSA-N 471.510 0.688 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830881572 DHNVKVVKEQKXHI-HYFFOGBASA-N 489.635 0.673 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831328879 IBKRATHOKCZPMI-QVKFZJNVSA-N 498.989 0.609 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)C2)C1 1831387957 NWUVDDZSUWGHEK-BSRJHKFKSA-N 467.563 0.642 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(cnn4C)c3OCC)C2)C1 1831394123 WVRGPIBOBYJPNY-OSPHWJPCSA-N 485.541 0.475 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)CCO2)C1 1832043803 COHICWCWNDAQNC-STSQHVNTSA-N 465.547 0.491 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1832052734 WKQMFWJDRTVHRT-FDDCHVKYSA-N 473.530 0.966 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3CN1C)CCO2 1832463269 SMWYYRFWMHICAI-FLJZWSDKSA-N 482.581 0.358 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833075072 NIHPYEYSMOKWKJ-IICXHKGZSA-N 475.590 0.945 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)c(F)c3)CCO2)C1 1833484876 RXCZPPSINSEBSK-VGOFRKELSA-N 451.495 0.872 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(N(C)C)o1)CCO2 1833901024 LOYIZLPZAGHELC-OAQYLSRUSA-N 450.492 0.320 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1835440649 CXWMKPSXXQUAEA-GOSISDBHSA-N 482.647 0.268 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835644235 VAASHSXWSUJZOI-VGOFRKELSA-N 452.552 0.098 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320430 CGJLOCRMUAJOMJ-LHSJRXKWSA-N 497.474 0.957 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1837393633 XQGBLUJHTDFIFT-JXALWOEJSA-N 460.527 0.856 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1cccc1C=O 1837441942 JKBLPAYHVMCWPK-YOZWEQBPSA-N 459.547 0.790 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1837490742 MTKIEXGNEGJUNR-QFIPXVFZSA-N 462.934 0.899 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492347 GPCQTXVUPPVUNF-FDDCHVKYSA-N 466.531 0.703 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1837529106 PRJGRPGXDSCNKC-ZRINGLHMSA-N 475.546 0.818 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531046 BESPSKUWWSKEBZ-ODRRNAMXSA-N 498.577 0.885 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837592052 MISDJXFABCTSTR-DVECYGJZSA-N 489.573 0.634 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)Nc4cccnc4)CCO3)C2)c1 1837632502 PYUUTEBRPJTKST-HSZRJFAPSA-N 467.457 0.801 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2)C1 1837702392 ACTFIALSWZLWER-QZTZHPFYSA-N 494.589 0.603 30 20 JCED CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)C(=O)O 1837885465 YICBLLACFRFGAD-FQEVSTJZSA-N 463.575 0.746 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1838100866 MSEOHPSIZJLVML-HXUWFJFHSA-N 485.647 0.984 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnc4c2OCO4)CCO3)cc1 1838474579 JFXUEUXFXORTEU-DEOSSOPVSA-N 464.478 0.995 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c1 1838578038 CIYSYAXBPSBVOS-UZUQRXQVSA-N 456.499 0.163 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838600570 ZEFZWPMOFZXNBZ-FQEVSTJZSA-N 469.947 0.716 30 20 JCED CN(CC(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1)C(=O)C(=O)O 1838646387 RHXXITRMOBMTBI-UHFFFAOYSA-N 488.516 0.781 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c(C#N)c1 1839132987 VVMSJVHLBVMDQS-XMMPIXPASA-N 466.494 0.513 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CSCSC3)C2)C1 1839175210 URDZZIFCWMXXPO-UTKZUKDTSA-N 487.644 0.995 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187279 TXYNUTHRCGXNEQ-AVRDEDQJSA-N 461.494 0.143 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1)c1ccc(O)cc1 1839195512 WVGLZNLVGGQFLU-YKSBVNFPSA-N 460.527 0.355 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)c1ccc(O)cc1 1839665615 NDRXFVSCFQKLKN-LVXARBLLSA-N 494.548 0.603 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1839670072 ONKNPLAROAXOTQ-QHCPKHFHSA-N 483.481 0.211 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839727103 AWBXDLDSCKZOCD-QUZFRVLNSA-N 463.600 0.397 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(n3ccnc3)CCN(C(=O)OC(C)(C)C)C1)CCO2 1839742070 MUSXQOZAYCZNPS-ZEQRLZLVSA-N 487.557 0.309 30 20 JCED COc1cc(Cl)ccc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839754010 ONKBSEYBFBCLPD-OAQYLSRUSA-N 450.875 0.436 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cc3ccccn3)NC(=O)OC(C)(C)C)C2)C1 1839806976 JIFUMQKLEFFBKB-YADARESESA-N 472.542 0.607 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043673 NSFFLESMMSMDCE-UZUQRXQVSA-N 479.530 0.390 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c([N+](=O)[O-])cc1O 1840162468 YEQCQQBJWPACHC-CWTRNNRKSA-N 455.489 0.697 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1)c1ccc(O)cc1 1840219842 JCZTXJJDKOWGCC-RDPSFJRHSA-N 467.526 0.637 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840262892 NFHPLLZJQDRTPG-HSZRJFAPSA-N 475.618 0.419 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1840292663 DFEPETHEWSRCQS-QFIPXVFZSA-N 463.556 0.749 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1840818673 PFVDSACUFZUXBH-HSZRJFAPSA-N 485.472 0.803 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1840908595 CKUZRNGZDKQDQI-CJFMBICVSA-N 486.569 0.997 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 1840909398 SFMRDAAPAJQZOI-ZVVFGRKBSA-N 479.574 0.927 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C[C@H]2OCC[C@H]21 1846196927 DFQOPKQCVBJCNL-GVDBMIGSSA-N 461.515 0.692 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847746438 WZGYLLNRJCMBKN-BZSNNMDCSA-N 467.588 0.930 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 480178132 DJXCWXRNZJBZHW-UHFFFAOYSA-N 485.566 0.570 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NC[C@@H]3CCCO3)sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)CC1 513029036 HGWZNZMRURXQRV-IBGZPJMESA-N 497.577 0.883 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O 524281319 QIRXUIBYVKAFIK-UHFFFAOYSA-N 481.347 0.572 30 20 JCED C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 604043511 ZJCWSOQMFFIASW-AWEZNQCLSA-N 468.582 0.820 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O 608910672 CBTNYNFQNZLJGX-UHFFFAOYSA-N 466.563 0.842 30 20 JCED N#Cc1cccc(CNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c1 746541538 DWOGZPQXRPEJDC-UHFFFAOYSA-N 458.496 0.515 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccccc2-n2cnnn2)CC1 748829624 LXOXPZIKIDWIID-UHFFFAOYSA-N 481.494 0.224 30 20 JCED C[C@@](C#N)(NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C1CC1 771823434 BMOUNISURKYEPY-PBHICJAKSA-N 474.333 0.440 30 20 JCED CN1CCN(c2ccc(CNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cn2)CC1 817379382 YWSGKNQHAKZYDK-UHFFFAOYSA-N 456.572 0.969 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC(F)F)cc1 839308600 GDDZZZAFOUUFHA-UHFFFAOYSA-N 489.504 0.890 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)o1 915376822 PJQNBPLCGBSFAG-BPUTZDHNSA-N 457.487 0.610 30 20 JCED Cn1ncc2c(=O)n(CC(=O)OCC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cnc21 919046769 SIASDWYYHDYSKX-UHFFFAOYSA-N 492.452 0.142 30 20 JCED CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)Cc1nnc2n1CCN(C)C2=O 1473788584 OBTXOKTZKOXGKX-GOSISDBHSA-N 454.510 0.344 30 20 JCED COCC[C@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1504749002 KNMVDQLKFJOSPQ-UWJYYQICSA-N 478.575 0.712 30 20 JCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1624604197 RLTKNLRPABMDFQ-KBPBESRZSA-N 452.920 0.326 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1697026268 WQSIWBYTIKEKMG-UHFFFAOYSA-N 476.559 0.664 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN(CC)S(C)(=O)=O)CCOC1 1728819127 VCXIYMAWGKEPOB-LPHOPBHVSA-N 456.569 0.331 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729204085 ZSDGEJRRSPBSJX-GOSISDBHSA-N 492.627 0.960 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1729209435 QUSWHGOKWPEEFV-UHFFFAOYSA-N 476.559 0.458 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1729370240 ZEGWTQZUBARCSP-IRXDYDNUSA-N 479.584 0.787 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCOCC1 1741804207 YFNCBWGJMLPDER-SJORKVTESA-N 469.612 0.460 30 20 JCED CC(C)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)N1CCOCC1 1761476982 WCJPCWROHOIDAI-SJLPKXTDSA-N 453.613 0.985 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1778368080 BYALKUWHXNOHMP-JOCHJYFZSA-N 458.519 0.991 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778919156 XWSPZNCMFPOOTP-NTKDMRAZSA-N 487.557 0.654 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1779019909 WXVHWARSVNNQNK-IGPUNGKJSA-N 474.587 0.193 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780197036 BLLYTDIUJWPXSA-NYHFZMIOSA-N 457.487 0.713 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ncn4nc(N5CCOCC5)ccc24)CCO3)c1 1780334049 DUDTXBKRLPJZQU-XMMPIXPASA-N 490.524 0.523 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1780933347 ZNWBCMOBXTYOFO-FQRUVTKNSA-N 495.576 0.950 30 20 JCED COC(OC)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781167996 USDWCXYRSPQTEP-QHCPKHFHSA-N 480.562 0.976 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1781390443 IPFKFGUWKBJQRX-GTQRCTGISA-N 461.519 0.624 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3nnn(CC4CC4)c31)CCO2 1783047396 BHHSRHBBEZZJIR-CJAUYULYSA-N 498.584 0.986 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(OC)nc3)C[C@@H]21 1783529571 RAFSEOZGCAQKOT-GRMGMVGISA-N 456.543 0.861 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H](C(=O)OC)C3)C[C@@H]21 1783533147 SBSVXTMWTATMKA-IRSCDUKUSA-N 461.559 0.804 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(C(=O)OCc3ccccc3)CC1)CCO2 1783565795 ZGIZWFJVHXALLL-RUZDIDTESA-N 483.521 0.953 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C[C@@H]21 1784481076 FJIAYHSYZHDNAE-GIUOSPMZSA-N 465.506 0.748 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C[C@@H]21 1784484977 GDPNEGNEECGHNK-OAOQPFQOSA-N 459.455 0.955 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2)NC(=O)OC(C)(C)C 1785302479 SPIWKLVQTQLMBW-PXAQALGRSA-N 493.561 0.274 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1785578413 YCCLXSRPZYOGBL-FNVCAUGXSA-N 481.546 0.349 30 20 JCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)C1 1785623401 VBTVEJIOJOKPPO-JOCHJYFZSA-N 478.546 0.970 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(O)cc(O)cc3O)C[C@@H]21 1788661002 UAVYZLXMYDINDP-ZRKCRRDBSA-N 463.487 0.926 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676612 PRHKJZSROYPWAJ-UQGVDKHISA-N 478.546 0.564 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789881341 JUYHUZZXFXLWGI-SPOLIRPYSA-N 466.579 0.960 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1789957851 BYBXNNFASLCRCK-OVWQWFNUSA-N 463.491 0.537 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790176243 OXXUBIHDVPNGGF-IUVQAAGXSA-N 469.535 0.319 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)Cn5ccncc5=O)C[C@@H]43)c2c1 1790329325 BTDJDWAPCOZKPA-IEZWGBDMSA-N 461.482 0.285 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791266087 ZZEIOGCYBFVNDE-QXKUPLGCSA-N 473.592 0.741 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1792485562 MIYMGEHXABXFFU-ROAZTASUSA-N 475.567 0.298 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792901943 CJLRUYNEOFETFR-RDGPPVDQSA-N 472.542 0.943 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1793823420 MPYIWTXVICXLTC-OYNZLANYSA-N 469.604 0.723 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O 1794356189 MMLWRLQOXYZVJL-YYAJDYIMSA-N 476.530 0.758 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O)c1ccc(O)cc1 1794975180 MOQXEDKITZSDMD-RGKFVRLKSA-N 491.548 0.733 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795285238 LKEHRCQQXDTKEJ-IWSXDTNSSA-N 450.536 0.324 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599530 QVBOCGYZPXYWQS-BJWYYQGGSA-N 451.568 0.771 30 20 JCED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1796042650 FYFSPNVCMFEAHY-LVQVYYBASA-N 456.547 0.913 30 20 JCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)cc1 1796436545 OQKOHRHVEUMJCT-JHDGKUDLSA-N 474.583 0.506 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799197229 VUWDHPFQTNCERT-VLUPQCQJSA-N 467.563 0.395 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1799302046 VQCXPTMYZJICBA-XEMDLRDOSA-N 464.540 0.803 30 20 JCED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1800183178 XYIZKPKBQUSXAD-DRXBFXEBSA-N 484.504 0.659 30 20 JCED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1800188698 AHJCKIUAPNZVEZ-ZSBFGKGUSA-N 455.544 0.122 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)F)C2 1800983213 RWTYPJBHALTUIQ-XGUBFFRZSA-N 490.504 0.647 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC)C2 1800983291 WIPHLXNZVNLBKX-DFGXFYAUSA-N 468.551 0.792 30 20 JCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1801169394 XPEIBBSFWFNXDE-BBIADKPPSA-N 490.601 0.849 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C2 1802025253 MCCJIGYTDFLCGR-LBFCPWMRSA-N 476.574 0.361 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1802051566 AUMDNKLHCCRADY-KMIUFNCMSA-N 475.542 0.985 30 20 JCED COCCOCCOCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1802102771 JORFBCWJWBKVNW-LQXUOVCPSA-N 468.595 0.793 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C3(C#N)CCC3)[C@@H]2c2cccnc2)CC1 1814052488 XBZVKGUEBYDEQZ-UNMCSNQZSA-N 452.559 0.945 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825674792 GFXVTFCEWRLUDG-GXTWGEPZSA-N 478.527 0.779 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnnn1)CC2 1828284286 HXDYHWVIHUGRDZ-JSGCOSHPSA-N 474.547 0.658 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1828585753 ZDZVUMWBHSSBCE-BVZFJXPGSA-N 497.552 0.906 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CSC(=N)N)C2)C1 1828806541 WWJJXZUSJUVEHT-NRFANRHFSA-N 458.544 0.979 30 20 JCED CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1 1828920872 AKNHRMUYPMRJCW-DEOSSOPVSA-N 467.526 0.878 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O)CCO2 1829691871 PFTGJVPUBYKWHJ-VSDWSMLSSA-N 465.547 0.084 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)c3ccc(OC)cc3)C2)C1 1829765209 MXKZJYRQVDVLDS-ZOTQCUMXSA-N 499.564 0.973 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(F)(F)F)[nH]3)C2)C1 1829770132 DXYALTXDAUWWIT-PRPIBZDOSA-N 470.448 0.962 30 20 JCED CC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n[nH]1 1829900587 HYTVZKFSTYCLCT-QHCPKHFHSA-N 451.483 0.797 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)c1 1830457797 FVKATODHIKVPDE-SANMLTNESA-N 491.548 0.772 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)C1 1830716193 XUSVRMFBXYXVTL-FHAGJXEFSA-N 476.570 0.731 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCc4ccccc4[C@@H]3O)CCO2)C1 1830819125 MKUHXFXWIXGBKC-VUDCNRLCSA-N 456.539 0.777 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccccc1C(=O)OC)CCO2 1830887436 CUXJCJYKZWZTJJ-RMZPIOGSSA-N 499.564 0.721 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1831388859 ZOKCWYKLFPZDPR-UZXLYKSHSA-N 469.538 0.354 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1831398481 CVEWQOXFEVBWRN-MEKIYTOJSA-N 454.527 0.247 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1831438474 OFSQPLMFBIYBMQ-HTAPYJJXSA-N 485.553 0.993 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)cn2[nH]cnc(=O)c12 1831491399 BJHILEYPCNXNIJ-DYESRHJHSA-N 463.560 0.355 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251574 IVVRHOSDWFJARB-MLGOLLRUSA-N 471.404 0.599 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1833608571 MDSRADLEHNDLQJ-WZONZLPQSA-N 478.546 0.805 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3cccnc3C(N)=O)CC2)CC1 1833920070 WCFCBEDZVGMQPM-UHFFFAOYSA-N 471.558 0.875 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834229554 AIYJNRSEALANIC-HXOBKFHXSA-N 477.562 0.960 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834767544 TVAXBKXULCCHKZ-PUZWTLIVSA-N 492.573 0.773 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347684 BYOQOXJXERLRAE-VXWZWFMZSA-N 492.573 0.507 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c(C(F)(F)F)n1 1835509664 UGRIDJQGTJCMKG-SFHVURJKSA-N 486.476 0.669 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)N(C)C(=O)OC(C)(C)C 1835680574 KWMRUEHQFHXUKY-KOSHJBKYSA-N 495.621 0.980 30 20 JCED CCN(CC)C[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682729 SRMBDYJPMWVCRQ-AUSIDOKSSA-N 451.612 0.703 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835780121 NNPWQSRXGUYGCM-FLOSOGMCSA-N 495.584 0.879 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836022434 ZSIULBKVRUMLPW-HXOBKFHXSA-N 493.561 0.846 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836048950 ZGQLRZVSWURSRF-KRWDZBQOSA-N 458.563 0.334 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836052043 KLPMCKIVZBPARE-XMMPIXPASA-N 456.543 0.564 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1837393176 MUIDLRYDTRMCNC-VGSWGCGISA-N 465.572 0.507 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490820 CBHHNVUCQGGHMF-XMMPIXPASA-N 474.558 0.298 30 20 JCED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1C 1837491134 VBEAKXOFAGWNHO-XMMPIXPASA-N 458.559 0.751 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837528299 FIAVPZCXMYJRRZ-ZWGHOPNTSA-N 490.513 0.467 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837529394 SJSOUEOTBIBILC-IVWHYVCYSA-N 472.502 0.328 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837529720 CZGIHDQGULYGLJ-MIASLSAKSA-N 452.508 0.012 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1)c1ccccc1 1837614547 QELQWTWKKPSIQU-GVUKDKGQSA-N 485.581 0.291 30 20 JCED CN(CC(=O)N1CCC(OC2CCN(C(=O)C#Cc3ccccc3)CC2)CC1)C(=O)C(=O)O 1837733271 UHVLHXSRTVFUGL-UHFFFAOYSA-N 455.511 0.580 30 20 JCED COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)C4=NNC(=O)C4)CC3)CC2)c(C#N)c1 1838380097 LVNIEODGYCGJKJ-UHFFFAOYSA-N 467.526 0.984 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)CCO2)C1 1838480921 QSZZBOLLOPIESD-CRICUBBOSA-N 479.537 0.679 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c(C#N)c1 1839131545 JXILYIROQQSTEQ-DEOSSOPVSA-N 482.493 0.279 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1839173732 IPXUZUUQNNDYSW-AREMUKBSSA-N 499.564 0.998 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(NC(C)=O)c(O)c3)CCO2)C1 1839472191 HIFHISPBBYUBMF-MWTRTKDXSA-N 459.499 0.459 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)s1 1839487963 OHAOUCDBEJYWAO-QFIPXVFZSA-N 481.538 0.907 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1840715674 JWTUXEJMFPUSGB-MHECFPHRSA-N 465.510 0.641 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1840843517 SJFAJWWFCRIOOB-NWVWQQAFSA-N 477.558 0.635 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCSC)C2)C1 1840908239 FKLUPIPAKPUTON-BSRJHKFKSA-N 499.630 0.473 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1840909424 SPJBGURDPZTFNR-KOSHJBKYSA-N 491.541 0.759 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1840913039 VLVSEDLPXYHCDW-UJUVCNOISA-N 476.534 0.344 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(C(=O)OC)cc3)CCO2)C1 1840958702 VTJIVCHWHMUTJJ-CPJSRVTESA-N 490.553 0.882 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840963413 BPRVVRSYKRCEAD-UUOWRZLLSA-N 493.557 0.568 30 20 JCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](O)N2CCOCC2)C3)c(C(F)(F)F)n1 1843169380 KQGGGQYQJIXJHN-KRWDZBQOSA-N 453.421 0.440 30 20 JCED CCOC(=O)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC(C)C 520059487 DRNIIDOPZDNOJP-UHFFFAOYSA-N 450.561 0.912 30 20 JCED N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O 589157019 BQXOAKLIIKLWJM-UHFFFAOYSA-N 492.467 0.640 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2OC(F)F)c1=O 603793258 UFWQBABOKQXTLC-UHFFFAOYSA-N 490.532 0.649 30 20 JCED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 604208167 YUZZJXPZXNPCSJ-UHFFFAOYSA-N 458.500 0.635 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828928 RRLZDQDKBATDOT-UHFFFAOYSA-N 498.561 0.526 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(-c3ccccc3)c2)c(=O)n1CC(N)=O 608911222 SZMJBFKEYNCFSX-UHFFFAOYSA-N 474.542 0.424 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 728536169 MYAPCBSQQGPXAA-QGZVFWFLSA-N 470.592 0.119 30 20 JCED C#CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(OC)cc3)NC(=O)N2)CC1 728572821 FGAVSVDSGXDEMN-JOCHJYFZSA-N 469.542 0.233 30 20 JCED CS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 730724880 TZASXWOONLBFMY-XGTYDZQNSA-N 491.599 0.682 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 750566231 HDHQJVULDZEPLC-UHFFFAOYSA-N 452.496 0.698 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 899895413 RUPDRQKLGUNXRZ-AWEZNQCLSA-N 468.532 0.331 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)COc2ccc(F)cc2)CC1 915288551 UIAHTIYJLDPYTJ-UHFFFAOYSA-N 460.487 0.614 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(Cc3ccccc3)c2C)c(=O)n1CCOC 917355423 IGFOVVZFMVMXDO-UHFFFAOYSA-N 495.605 0.684 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1152029546 PVUPSEBZMGOKRD-AWEZNQCLSA-N 459.503 0.812 30 20 JCED C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1288714768 MYGKDVYEGHNCOP-SFHVURJKSA-N 474.587 0.932 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@H](C)C1 1301045273 RUSHJPVWWQBKAV-HZPDHXFCSA-N 463.004 0.520 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1303412611 ZTNYCLVBUFPMDJ-GOSISDBHSA-N 455.519 0.660 30 20 JCED CN(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1314660648 XHBHZWWLHGXSDX-YJBOKZPZSA-N 455.560 0.537 30 20 JCED CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)Cn1cc(C#N)c(O)nc1=O 1639267653 JFDFOQCNWHWAAW-UHFFFAOYSA-N 454.306 0.809 30 20 JCED C[C@H](CC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1640457239 UFTXQTDNANMCBO-CABCVRRESA-N 456.590 0.634 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C 1692347163 ZLKHRCXVKWTTED-INIZCTEOSA-N 455.585 0.465 30 20 JCED CCCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1695204453 IYKRFOLPLNGHMO-DLBZAZTESA-N 455.585 0.072 30 20 JCED CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1771364538 IMWSBEYYMAHPKK-UTKZUKDTSA-N 460.560 0.734 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778162586 SSNODVNYUFAGBW-XXXZYALBSA-N 467.526 0.028 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1)NC(=O)OC(C)(C)C 1779097902 ACIMSSHQLJVFJH-MFSJNOQSSA-N 496.605 0.326 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)ccc21 1779100722 DRFMRHASNYUSLQ-YBWSKRLUSA-N 485.541 0.850 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780950607 WBOZPJUXDCZOHA-WZKKCSGSSA-N 456.503 0.631 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1781169189 JHKBGYJUIVPESR-RHGYRFJNSA-N 476.574 0.649 30 20 JCED CC(=O)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170047 LXQUOOCDEDTPBL-DEOSSOPVSA-N 491.589 0.883 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1781394318 CSOBFARLRIIJRK-UZLBHIALSA-N 458.581 0.289 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(OC)n3)C[C@@H]21 1783529597 SKUPHRVTAYPIJX-WSRLLZAVSA-N 456.543 0.861 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1784480457 IPYAOPBEODTOKI-JLHGSKIFSA-N 460.535 0.586 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1785594531 UCBIZZVERKNDPF-KBJGYGKASA-N 460.535 0.728 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1787469423 QKUMOUSCZCYQBJ-ILCLSKECSA-N 495.621 0.978 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788657893 BFDGNYPMORXUMO-JBKFAFGSSA-N 452.552 0.800 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C[C@@H]32)c(C#N)c1 1789839971 BQTJUEPVGGCSPG-NDXORKPFSA-N 482.497 0.894 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)C#N)C[C@@H]32)C1 1791329952 ONZRSPBUGKBZPE-CFLDLGCGSA-N 464.563 0.888 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21)c1ccc(O)cc1 1791331347 UWGVBFASTQHABP-UGKANONSSA-N 482.537 0.467 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)CC)C[C@@H]21 1792255248 CFGAKJRXBVRSEH-BCYZHJNNSA-N 478.590 0.797 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1792452330 QBWBVBWAFHWEPE-XHYRXIGBSA-N 495.617 0.767 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NCc1ccc(OC)cc1)C2 1792490460 YPVSYYOAYDSGFK-PSMCBZSMSA-N 498.580 0.540 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1)[C@H]1SC(=N)NC1=O 1792557288 YDOJTVFBVRGSIV-CGMPVICWSA-N 455.540 0.493 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C2 1793340441 WTQQYPXCDHRHKD-UJWQCDCRSA-N 465.547 0.250 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C3)c(O)n1 1794490900 VUWZQRSQARNHQT-POXQLVPFSA-N 490.557 0.952 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795288526 NLDYAQBAOYUNCQ-KMOPNRPKSA-N 464.563 0.714 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1-n1nccn1)C2 1795599710 BRLCOQVDLKDGIQ-XEMDLRDOSA-N 451.531 0.752 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1)[C@@H]1SC(=N)NC1=O 1796445177 JXJKTQNMMCLSOI-PPPFTMBKSA-N 476.580 0.879 30 20 JCED Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)c2ccccc21 1797172807 OWUNXMYJEIRYNH-NHKMSHSESA-N 480.565 0.628 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](COC)NC(C)=O 1798642717 NJLQYULDJFEJES-ZRSRNVLSSA-N 464.563 0.692 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(C(=O)OCC)c1 1798686026 AKFDSCQFZOIGNQ-XEMDLRDOSA-N 459.499 0.971 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798863151 KLXHUUUXSTWTDC-KOUHRCEDSA-N 450.499 0.232 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C 1799250069 ZHZIZCNGYUTUAV-BFMVXSJESA-N 495.573 0.461 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1799333945 OWHJYZWCOCZMQC-DMNLGMSASA-N 495.573 0.769 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1)C2 1800453918 QXVIBIRSKYPWEW-WEMPKCCASA-N 469.494 0.511 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)OC 1801046423 OIHACCCVFSMHQG-JCECYMMASA-N 498.577 0.416 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1802016282 AKJYTNFGOLMEDR-UYXROKOJSA-N 469.604 0.651 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1808449036 BIOVTMPMJYJWDD-ZJSXRUAMSA-N 485.585 0.761 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c1 1811406414 MJUSRDSIQRKZKA-JTSKRJEESA-N 476.493 0.833 30 20 JCED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1811794751 BVGJFCFGBNSMBM-YLJYHZDGSA-N 469.465 0.713 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817078348 XJLWWLWKXPOPFM-MBNYWOFBSA-N 450.565 0.258 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826806221 PMVONCOJHKETRA-QGZVFWFLSA-N 459.480 0.840 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CNC(N)=O)CCN3C(=O)OCc3ccccc3)C2)c1 1829476162 OOMUIHWLEBBMOW-DEOSSOPVSA-N 493.524 0.620 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1831208550 NKMCEIVPHWZGAO-ATIYNZHBSA-N 465.550 0.905 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1831438045 KMBRTLOTKNZMFD-SWLSKGBQSA-N 462.499 0.864 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1831770798 IGNWDNSGIAVSJW-AOMKIAJQSA-N 461.519 0.396 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1831998894 UUIQCPUDFWSWCJ-JPYJTQIMSA-N 477.562 0.960 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccnn3CCOC)CC2)CC1 1833074829 GADNZFWXOYMGGM-PLNGDYQASA-N 472.590 0.573 30 20 JCED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)cc1O 1833400701 JIRVUZWHHOTDOJ-JOCHJYFZSA-N 458.902 0.901 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)nn1C)CCO2 1833447178 CJXMOXSDKSOXOI-OAQYLSRUSA-N 450.492 0.008 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1833452052 TZWUQBBYQKDUNO-APWZRJJASA-N 472.652 0.459 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1833596213 ATLRRKBFVRMLDR-HXUWFJFHSA-N 469.585 0.474 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1833712447 JWQLISAEWBVKPS-OPAMFIHVSA-N 463.535 0.949 30 20 JCED O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833786309 UDJSDFRRKCMEKN-BUVRLJJBSA-N 474.566 0.835 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)CCO2 1833865099 OVTCJGNGNXTSEY-OAQYLSRUSA-N 450.492 0.008 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834388055 DEFYFNJQRBYSIK-FDDCHVKYSA-N 475.546 0.256 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834450519 MTACRHWLWUCRID-UZUQRXQVSA-N 475.546 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]n3)CC2)CC1 1834953312 VOQWALHUFCWIGE-SFHVURJKSA-N 473.578 0.907 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1835682955 ZQJLHGYNYWVXPH-PBXQCXKZSA-N 495.580 0.635 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CC2)CC1 1835718023 DFCQCFUGDYZIJQ-YADHBBJMSA-N 488.633 0.602 30 20 JCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)N1CCN(C)CC1 1835768022 IKQZEIYXXULOQA-YYLZNNKQSA-N 492.665 0.723 30 20 JCED C[C@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835808774 SGKSEDGXLSBHKZ-GOSISDBHSA-N 458.611 0.768 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836110919 KDINOESUPSQPNM-UQQIOGDDSA-N 462.576 0.497 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2)C(F)(F)F 1836781159 MSKUKDXVFUKMKO-LJQANCHMSA-N 471.436 0.205 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1ccccc1 1837616277 BZQVZRIQHJUOCO-DEJKCJRPSA-N 455.555 0.363 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c1 1837947652 RHTQFYGRZVUMLF-QHCPKHFHSA-N 481.465 0.439 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc(O)[nH]4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1838071712 URXLGFQKOLNZNT-SBUREZEXSA-N 491.545 0.751 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1839176021 RIQZADHMZFASOP-SXBBHYFQSA-N 490.509 0.782 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)cc1 1839361354 DZHPGPALFCTWSO-DEOSSOPVSA-N 466.494 0.138 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)c1 1839451423 RJXVBQZCJNGYNQ-RUZDIDTESA-N 477.521 0.762 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476600 YTGRLRKPAZJCBL-AOMKIAJQSA-N 482.530 0.338 30 20 JCED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1839859971 RGMDRMXCZWSKPH-HXUWFJFHSA-N 468.432 0.783 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1OCC1CC1 1840043545 FNNXZCINXZUNRT-XMMPIXPASA-N 472.494 0.642 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc4cccnc4cc3F)C2)C1 1840043812 VKMHDMSESDHOLD-HSZRJFAPSA-N 455.442 0.461 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1840175440 QVJXAGXKCYLHRW-GAJHUEQPSA-N 460.531 0.655 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCO2)c1cccs1 1840447258 WZVQWATVFYTGSX-SHTLVRLNSA-N 459.528 0.625 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840573477 UOWSPWGWTWKWEM-PUZWTLIVSA-N 478.590 0.474 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)C3)C2)CCC1 1840815186 BEJCZOJJWFMQMP-MCEYFSPLSA-N 482.581 0.772 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1 1840908604 CQPCIPNHQGPISV-JPYJTQIMSA-N 483.562 0.022 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1847073869 MZGXMSWJJSKDDM-RBUKOAKNSA-N 486.573 0.577 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 16227744 YJHOJWMSBJINHS-UHFFFAOYSA-N 461.565 0.886 30 20 JCED N#Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 519508763 KTUZXXPHNNFVII-UHFFFAOYSA-N 462.509 0.584 30 20 JCED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3ccccn3)c2=O)cc1 522388522 PUJAEKDDEXLOHG-UHFFFAOYSA-N 494.598 0.733 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H](C)c1ccccc1 604005347 YFVIJFRGYFMYDK-INIZCTEOSA-N 451.552 0.908 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccccc2CN2CCOCC2)cc1 794250707 OYPPCQDQLZKGOO-UHFFFAOYSA-N 486.550 0.528 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 917688850 WPNPUJJEVUSKRK-JLPGSUDCSA-N 487.542 0.275 30 20 JCED N#Cc1cn(CCC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c(=O)nc1O 1157818217 MRNXJQQJBAUHQO-HIFRSBDPSA-N 457.409 0.285 30 20 JCED Cc1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ccc1C#N 1248621567 KCKGVOQOFVHPSS-UHFFFAOYSA-N 486.506 0.723 30 20 JCED Cn1cc(CN2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)CC2)cn1 1298828884 ZWVQUDXWLYIFQA-UHFFFAOYSA-N 483.602 0.812 30 20 JCED CNS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1517633322 WFXUULKKJVPAIS-MRXNPFEDSA-N 499.576 0.934 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1615938477 YHPAACCZURLOKE-JOCHJYFZSA-N 455.588 0.943 30 20 JCED Cc1cc(N(CCC#N)C(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccc1Cl 1616498157 XAVXUOBKYFRROD-OALUTQOASA-N 454.980 0.671 30 20 JCED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1 1748049418 MMCNRVDCHNZICW-QHCPKHFHSA-N 469.546 0.090 30 20 JCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1=O 1769077490 NFYCXRBTERADLM-UHFFFAOYSA-N 453.503 0.256 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1778379635 FPMDHVCEJQVOTR-XMMPIXPASA-N 478.509 0.654 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780188387 VHWAWMCMGIQUQM-VLIAUNLRSA-N 468.963 0.983 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1781168901 XJPHTSLFWIRFRO-YTZAWJCFSA-N 494.589 0.576 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1781271488 UVEUDYHEHUPJJB-OAQYLSRUSA-N 462.459 0.096 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784013085 TZIQJKUCJVVKRD-YRUKQIKQSA-N 481.590 0.761 30 20 JCED COc1cc(N2CCC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](C)S)C[C@@H]43)CC2)ncn1 1784243162 ZTNDXPSCLVRIAK-UBDQQSCGSA-N 463.604 1.000 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784606169 BTFUJSJPYRYUBV-AHWCRGGASA-N 475.550 0.533 30 20 JCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785244668 NUKUPRAVFYAZKV-NRFANRHFSA-N 462.528 0.065 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1785303641 CCXMEMXIMABQAR-HKARXFIJSA-N 464.563 0.954 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)ccc4F)C[C@@H]32)CC1 1788248781 VYCAAPUBMHEJPH-VCOUNFBDSA-N 471.533 0.455 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1788641695 AOSPXVCGQYFGHG-LGGPRVQUSA-N 487.509 0.412 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789347623 ZYIVPAMZCRYUPK-ZJOUEHCJSA-N 478.546 0.176 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C[C@@H]21 1789952551 MCMYCFHJJLMKSC-DGYLXYOXSA-N 488.585 0.946 30 20 JCED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791072395 JBLIBVRFBFDZAP-FPSMNIFISA-N 461.515 0.524 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(=O)N(C)C)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791379923 DXIYAHWCLQHBCS-XSLAGTTESA-N 464.563 0.620 30 20 JCED NC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)cc1 1791894997 OQKRDTSVWYVKSY-MZWDZAOCSA-N 458.515 0.908 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1792258137 TWOYQMHEAUDPEM-MPTYRVRUSA-N 489.529 0.398 30 20 JCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1793379995 HMVJHPVCZSKLRL-LTCOOKNTSA-N 455.602 0.784 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1793380129 MVYCUFIXARCUKN-XRQSXFTLSA-N 450.561 0.537 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)[C@H]2OCC[C@H]21 1795412401 DFLZRINZMYZXRW-UDFCFZJOSA-N 474.558 0.904 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1795894720 DNCPMBOLMXJUQK-VLUPQCQJSA-N 482.578 0.747 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncn3nc(N4CCOCC4)ccc23)CCC1 1795969312 VMHBZIDGTIOTJD-XEMDLRDOSA-N 479.541 0.463 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1797784285 SIYCCRSCTSNNFE-HATOLVCRSA-N 451.523 0.832 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4c(O)nnc4O)cc2)C3)c1 1798693718 IRUNPBRSFGSJJV-JLVBRIDZSA-N 463.454 0.395 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1 1799821093 GRVZZDWZSJIMRF-OQIJWPOYSA-N 466.542 0.994 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1800801509 LBSOSLVKKURPLA-LVEJAMMSSA-N 498.577 0.833 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1800909149 NLCFKJAPFFIIOX-YYAJDYIMSA-N 485.603 0.952 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1801286370 KZSJSNHKEPXGSR-KOUHRCEDSA-N 450.499 0.232 30 20 JCED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/C(=O)c2cccs2)C3)c(=O)nc1O 1801971839 RDRHPHUOWSXAKR-QKBRYTTJSA-N 472.523 0.348 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@H]1c1cccnc1 1803547834 QJNOSLPAKFAAJL-UIFIKXQLSA-N 476.599 0.797 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1804194306 LHUFTLVVZKTUDM-RDGATRHJSA-N 480.590 0.870 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1804430896 SSJGIOHXDCHHGB-BQJWPVKWSA-N 466.579 0.966 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807147445 KJQHEAVHKHGQQW-IEBWSBKVSA-N 459.620 0.853 30 20 JCED N#Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)ccc1F 1808560629 KUDOAYPHBHAVLR-DHJUGAMNSA-N 466.517 0.934 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)n[nH]1 1822699681 GTXNIIHDBVGDIK-YZBXUTEPSA-N 482.545 0.731 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399558 BYHKMWOSJYLOAE-QGZVFWFLSA-N 471.518 0.555 30 20 JCED CNC(=O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1 1828919437 BKBKXOLKDNWEPL-XMMPIXPASA-N 467.526 0.878 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828924871 HNAQIHRCZIYAKD-BWKNWUBXSA-N 499.568 0.893 30 20 JCED CN1CCN(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CC#N)C3)C2)CC1 1829106125 YTVZGOJFAGFRBF-RUZDIDTESA-N 482.585 0.600 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1829267581 VHMAUHJIHCDTDG-QFIPXVFZSA-N 461.540 0.506 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1 1831202451 QVHQEKMQHUWZTN-JOCHJYFZSA-N 453.536 0.259 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)C1 1831391805 VZORCHNVPQWYLO-UUOWRZLLSA-N 458.511 0.843 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1831999704 AEYMMHHGUFXJKR-IVZQSRNASA-N 480.518 0.920 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccc(N(C)C)c3)CCO2)C1 1832526443 JFKYKUYLUHTHOG-CYFREDJKSA-N 459.543 0.626 30 20 JCED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)CN4CCNC4=N)CC3)CC2)cc1 1833039946 BNWCUFUAOXJFAS-UHFFFAOYSA-N 465.602 0.902 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)n(C)n1 1833442514 GNLYDFIAZCGQSP-IOUFHMPJSA-N 474.539 0.999 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)CNC(=O)c4cccnc4)CC3)CC2)c1 1833771530 DGQHFKVOUJAEOB-UHFFFAOYSA-N 463.542 0.897 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)C1 1834402408 MOAMJICHHQTZMV-MOPGFXCFSA-N 463.579 0.699 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1835672707 INKPWIDHUZJXAC-RUZDIDTESA-N 493.568 0.890 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1835677223 BUPFRBRHQFUJKH-QFIPXVFZSA-N 455.519 0.310 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1835677710 VCPXAJZGLVIZFH-XMMPIXPASA-N 466.542 0.982 30 20 JCED CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835681077 PKBDZQZPAYJLFV-VWLOTQADSA-N 485.585 0.740 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1835844472 VQYDNBXJXVPSMF-OXQOHEQNSA-N 453.584 0.510 30 20 JCED CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)cc(OC)c3)CC2)CC1)C(=O)O 1836124259 YQKBJIMJONPGQS-OAQYLSRUSA-N 471.558 0.815 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836259614 IKVJVADLQJXJDM-VLIAUNLRSA-N 452.533 0.120 30 20 JCED CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836320455 DEKJCJWUFHAVNL-LJQANCHMSA-N 469.420 0.178 30 20 JCED CN(C)C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836321685 BBGQNPWEGJIDKZ-LJQANCHMSA-N 469.420 0.130 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1836468603 IUNHYLDPVLGTFN-DYESRHJHSA-N 451.545 0.877 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836888515 BSERMDIDOPFEAJ-GFVLEISASA-N 472.502 0.328 30 20 JCED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837078494 AYPHHOYOQYGKJE-UHFFFAOYSA-N 467.632 0.909 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)C 1837221189 HROGLQBSDXUOCZ-MBIGCVILSA-N 452.552 0.502 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1837367690 SCSWJVWLXUKSCM-MWTRTKDXSA-N 493.561 0.178 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1837401140 VFJJVOKCAXVZJT-NXMSCROESA-N 499.605 0.292 30 20 JCED O=C(NCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccccc1 1837496472 IXFSQGBVSGWMPN-HHHXNRCGSA-N 497.592 0.962 30 20 JCED CC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n[nH]1 1837524185 BEWSNKSYPYOZJQ-JMQQFMRHSA-N 463.491 0.211 30 20 JCED O=C(NCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1cccs1 1837525326 ULLWFHVDQLCIFC-PIVQEWKSSA-N 494.570 0.463 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837770678 JCDOEIRKKMVJMB-ZHRRBRCNSA-N 469.485 0.887 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c1 1837841795 YAIIKZKQXWTHRJ-FQEVSTJZSA-N 459.522 0.902 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn2[nH]cnc(=O)c12 1838471094 LDMDUOXTBVIHBS-FUWLSKDBSA-N 482.497 0.113 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CCC5(CC4)OCCO5)C3)C2)c1 1838740917 ZPDKLPPQRONQPU-QFIPXVFZSA-N 458.515 0.890 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)C[C@H]1CO2 1839085882 QNTPTWAMJUVBMH-IMRHEYAYSA-N 478.546 0.525 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1839108273 DZZCEFSANDALBF-YDIMBITNSA-N 477.558 0.084 30 20 JCED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)CC1 1839188167 NWOUPDDSMRTBHT-JOCHJYFZSA-N 459.474 0.649 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)cc1 1839363709 QURJLRRWTGANDO-QHCPKHFHSA-N 467.482 0.397 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5c(O)cc(O)cc5O)CCO4)C3)c2c1 1839373742 WMIVXYBYNWRFDK-DEOSSOPVSA-N 493.476 0.935 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C(=C/c1ccco1)NC(C)=O)CCO2 1839390396 MDCSHXUFTOZJMI-BKVHRCCISA-N 489.525 0.722 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)[C@H]4SC(=N)NC4=O)C3)C2)c1 1839452359 YAJDWQJEOWFXHZ-HOSQHVHZSA-N 485.566 0.739 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1839880444 QMVSCXIKYOVVNZ-SZNDQCEHSA-N 493.358 0.915 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1)C(F)(F)F 1839892874 DQKLTKYBMSPLGP-IBGZPJMESA-N 468.436 0.930 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251807 ZFWDQUVZZSJMSH-LLJLJFOGSA-N 492.573 0.145 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840316424 UKWYXUYFXVSLMR-PERKRYKHSA-N 450.919 0.868 30 20 JCED Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1840404774 CVWXUOHOVWQYLR-HGRYLZBDSA-N 463.535 0.738 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840783553 NFWYNKDLLUKHNH-HSZRJFAPSA-N 464.490 0.897 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5c(c4)CCNCC5)C3)C2)CCC1 1840815236 DUPFDUGUSMKWAS-XMMPIXPASA-N 453.543 0.534 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840908579 OHJIEIMBGAHCLU-AOMKIAJQSA-N 499.586 0.177 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1840909637 YHXPSBIANZDIKT-NBGIEHNGSA-N 492.617 0.845 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cscn1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846535707 DHVXMSVJVIBXIS-OAHLLOKOSA-N 462.528 0.870 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCCOC)cc2)c1=O 501294549 FVDKUGNOFSTFLA-UHFFFAOYSA-N 457.552 0.707 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(C)cc(C)c1 502040888 GICMDCFHYAZNHI-UHFFFAOYSA-N 451.552 0.905 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC(F)F)cc1 502049324 MEWPTEKYMZXAPQ-UHFFFAOYSA-N 489.504 0.890 30 20 JCED CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 506577000 KZTQGWIVHUUPPR-UHFFFAOYSA-N 452.514 0.548 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@@H](C)O1 514145836 YPEJMAHAPVYQJJ-OKILXGFUSA-N 462.981 0.872 30 20 JCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CCN(C)CC2)c1=O 516375964 IIIBMTQYMVASMA-UHFFFAOYSA-N 458.609 0.908 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(-c2ccc(C(N)=O)cc2)c1=O 522537277 CAPQXKTYOJMFCI-UHFFFAOYSA-N 474.502 0.144 30 20 JCED Cn1c(=O)c2cc(NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cnc2n(C)c1=O 603685670 UFOKLWJKRNDNIS-UHFFFAOYSA-N 483.510 0.042 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 604270186 RZLZTFFVXYGZAW-UHFFFAOYSA-N 455.496 0.032 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 728573221 UWYIYTRJZDDLQJ-UHFFFAOYSA-N 453.465 0.469 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 769644451 VFLCDBJLKFLLGK-OAHLLOKOSA-N 474.495 0.346 30 20 JCED Cc1nn(C)c(C)c1CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 809204035 MSAVJBWVFUBOGP-UHFFFAOYSA-N 459.528 0.527 30 20 JCED Nc1nc(Cl)c(C=NNc2ccc(S(=O)(=O)NC3CC3)cn2)c(N2CCOCC2)n1 914698366 WMDRMIPBNCDFIM-UHFFFAOYSA-N 452.928 0.831 30 20 JCED COCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 918173938 NMVAAZJTMUQPAD-UHFFFAOYSA-N 499.618 0.829 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)C1 1287054100 PSBUJAKESRLXFE-MSOLQXFVSA-N 489.577 0.980 30 20 JCED N#Cc1cccnc1NCc1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 1292655434 PKOJSKCQEWKABT-UXHICEINSA-N 455.540 0.793 30 20 JCED CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1299233095 QRGRTWOEIVEUMF-MRXNPFEDSA-N 474.591 0.613 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1360298826 LHKADLASHCBYOM-UHFFFAOYSA-N 452.563 0.988 30 20 JCED Cc1nccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1492707555 ZPFSWVZYOZUDNW-YJBOKZPZSA-N 461.596 0.660 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCC2=O)CC1 1507869525 VRDXULMJYBEULY-INIZCTEOSA-N 472.999 0.955 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(C)(C)O 1541941850 RTDVTUALLNJVST-CQSZACIVSA-N 465.555 0.997 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCC(O)CC2)C1 1741983580 KPVYGVUOHTVHGU-SIKLNZKXSA-N 495.650 0.588 30 20 JCED COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1768601457 VBSACMYFGOUCNJ-YOEHRIQHSA-N 464.548 0.877 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(n2)OCCO3)C1 1777952119 SVXCDVVPCIEZFA-LRCOXEPWSA-N 470.526 0.839 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778055179 YZDXATOUIMJDMV-DEOSSOPVSA-N 492.540 0.296 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)cc1C#N 1779095970 LNXJPYHEMWHEDM-ISKFKSNPSA-N 472.542 0.440 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138422 UHEMWVDLWWKDTQ-WWOVWOHCSA-N 451.520 0.598 30 20 JCED Cc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)cn2[nH]cnc(=O)c12 1779365804 OSHRIHWHRGIGLI-OPSPFMKISA-N 483.573 0.930 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)C1 1780654127 UIWLZZCNIHSGPF-PEOGOYOCSA-N 450.536 0.642 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1781391671 UJAPHHHUNVDTLB-UUOWRZLLSA-N 486.573 0.652 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009725 VQKSSJBDOZVVSM-UZUQRXQVSA-N 481.546 0.520 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)C(C)(C)S 1783166875 NUGSJPJOBILCHJ-VKIFBMEASA-N 484.619 0.554 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783626326 TXNXBQAJIDEOAV-VMXHOPILSA-N 478.590 0.962 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783642256 MBIIOBPQVVZZRK-POCHDABASA-N 462.547 0.880 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC)NC(N)=O)CCO2)C1 1783766256 IMPPPEFFFAJPTE-DMPWYTOCSA-N 467.567 0.733 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784262778 KHIUQJBYMHJFNH-VFNWGFHPSA-N 452.508 0.089 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1785576893 QITYRUAVRLQMKR-JLHGSKIFSA-N 460.535 0.586 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857683 ZYDVXIGUHTVBBH-AMGKQAFBSA-N 499.612 0.427 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787493666 ASSCCMFPNFLTLV-UTCVTCNTSA-N 461.544 0.481 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1789838607 BGUNIQMGBUAFQT-MUGJNUQGSA-N 488.589 0.955 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)n4ccnn4)C[C@@H]32)c(C#N)c1 1789843465 MVSXKSODPKSWIL-GWKIZSTFSA-N 452.515 0.942 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)Cn5ccncc5=O)[C@H]4C3)c2c1 1790583776 UGLPHLBMABFPDW-IEZWGBDMSA-N 461.482 0.285 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790859746 HKVDZFAUZFNJIG-YHDCXSKOSA-N 490.601 0.799 30 20 JCED CS(=O)(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1791771857 RRISJVXSWJIPIT-ZVZYQTTQSA-N 459.528 0.463 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)C2 1792489120 HQMWCMGRVJVYQQ-KHEMCJCRSA-N 476.574 0.691 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792577221 CGOJRGJJJSKXPI-NRUGXNMXSA-N 464.563 0.572 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOCCOC)C2 1793359399 XYROMAIDNRSUAV-KEZQHZCBSA-N 472.579 0.253 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795084451 UHHSQOZZECYECY-VEXWFWOFSA-N 462.547 0.762 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOCC2)C3)c(C(F)(F)F)n1 1795995128 UCVGKWKYQGUMDX-ZSBFGKGUSA-N 467.448 0.507 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1 1796313161 OCMMKQAGPGAVEV-PPGORRQASA-N 468.554 0.975 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2)[C@H]1SC(=N)NC1=O 1796426880 KOBLIEIPSIPEBI-OYLQLQMYSA-N 459.503 0.703 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1797704951 WVJPZDGZEZUQIV-BPKGMFCQSA-N 455.552 0.035 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@](C)(O)CC(=O)O)C3)c(C#N)c1 1799241374 UMROETCFCRQGQH-TXKCWOHGSA-N 459.499 0.315 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799411767 QNLMNQXKCKQUBN-XAPVIXHLSA-N 482.541 0.739 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2nccn2)C3)ccc1Br 1799710301 OIQQZBXCTIPRAT-JLVBRIDZSA-N 459.304 0.816 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCC)NC(C)=O 1802039501 APRMQAMOILXNOP-YHDCXSKOSA-N 478.590 0.797 30 20 JCED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1807017815 HSQCSOIRPIZQHG-QWFCFKBJSA-N 485.589 0.877 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330375 RTEZCMORYQXHDY-QMTHXVAHSA-N 457.516 0.673 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)n(C)c1=O 1815799710 LYIPFVRLJJBTQJ-HNNXBMFYSA-N 493.528 0.543 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CN)CC2 1828284696 OIVDHPZRWNCCCG-SGMGOOAPSA-N 450.565 0.258 30 20 JCED N#Cc1ccc(CC(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C(O)O)C3)C2)cc1 1828499372 BWSCAIJFVTWRHJ-AREMUKBSSA-N 492.532 0.864 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1828923105 QEEDFLSIUORZBA-CYFREDJKSA-N 484.557 0.335 30 20 JCED O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828972634 AQOOZXKUFTWRPK-MQKWGWFZSA-N 486.533 0.575 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829044690 PTSOYCULSSSMNC-MBSDFSHPSA-N 456.547 0.274 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829134098 XXXYHOHSIFIWGM-RDGATRHJSA-N 486.569 0.665 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1829330246 DLBBUTHQCRUPLD-RUZDIDTESA-N 463.490 0.940 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1829351236 IWNIENKOZJXABG-BTYIYWSLSA-N 463.560 0.425 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1830347163 WBFIYBHVLYVKBR-VWLOTQADSA-N 472.538 0.926 30 20 JCED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1830385189 HDWCIMAZUHBVFJ-GPRHCPOYSA-N 486.591 0.018 30 20 JCED O=C(/C=C\C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)NC1CC1 1830468373 KZMAWILXBSLSME-NECUJFQYSA-N 471.941 0.983 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2NC1=O 1831218406 SCXFPYMRZYJICC-FYSMJZIKSA-N 453.495 0.889 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])C2)C1 1831397219 PSBOWPJXGBFSNC-HXOBKFHXSA-N 474.514 0.769 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1832000492 QTPWMRRNPPVYNM-KSFYIVLOSA-N 468.551 0.178 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnc4ncccn34)CC2)CC1 1835384269 LEDDSKJLGAMZAF-PLNGDYQASA-N 465.558 0.773 30 20 JCED COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(F)c1 1835672656 GFIKPWAKKSAMOH-QFIPXVFZSA-N 463.510 0.581 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1835675221 XTDHQMUQPUUAMX-JOCHJYFZSA-N 455.519 0.310 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1835768351 AHGAWHKJIIYAQT-KXQYEYADSA-N 491.511 0.766 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1835773510 LDSSMEAGWRNVMG-KRWDZBQOSA-N 461.563 0.876 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(C)C)C(C)C)CCO2 1835892646 GAZKQOMHAHFYDF-HKZOASNMSA-N 450.580 0.324 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2ccccc2=O)CCO3)ccc1F 1835997912 FTSOYYRLQMOAEA-DEOSSOPVSA-N 468.485 0.558 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)CN(CCO)CCO)CC3)CC2)c1 1836125996 MMPVAMUMTFPQDH-UHFFFAOYSA-N 487.601 0.039 30 20 JCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1836861711 ANUNJZWQWZTAAE-UHFFFAOYSA-N 450.536 0.520 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1837396498 IDLKRJWDFVGSLZ-DFBJGRDBSA-N 484.553 0.646 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1837527112 XJJKRLJPMLIXTK-MXZSFLGVSA-N 464.544 0.969 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Cn2cncn2)CCO3)c1 1837647446 LMRGTTXCWKFDTK-FDDCHVKYSA-N 452.515 0.865 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cc(Cl)ccn3)CCO2)C1 1837652250 RBLNYTHFOLVENK-QFIPXVFZSA-N 479.965 0.852 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1837694552 MERXSMDTIKINDQ-LHSJRXKWSA-N 495.458 0.733 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837728380 YSTMMVPHJMXPPU-OFNKIYASSA-N 477.945 0.299 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)c1 1838581625 DOHPQPBUJZZYED-URXFXBBRSA-N 465.510 0.732 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)c1 1838584645 CAKWJFQUUKLWMD-XMMPIXPASA-N 481.509 0.765 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)c1 1838584804 HLNJZZOOCZDLBX-KBMIEXCESA-N 485.585 0.273 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1 1838742218 YRZYTCGZFZXDHW-XMMPIXPASA-N 466.494 0.986 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)CCC1 1839045049 MFOXYRHLIKPYPN-QFIPXVFZSA-N 473.555 0.042 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1839173648 DJSVPYSTCYDBPV-JOCHJYFZSA-N 464.519 0.109 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCN(C)CC4)C3)C2)c1 1839451617 GGAYJMHREMINGF-RUZDIDTESA-N 469.586 0.574 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn4c2OCCC4)CCO3)c1 1839518383 VCEGSJOBYCTERU-XMMPIXPASA-N 481.509 0.930 30 20 JCED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)c1ccc(F)cc1 1840162681 FCTMGFHHIBDXSZ-YMTYPPQLSA-N 453.536 0.778 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1840174555 LKTPLUWCFOUVAG-MHECFPHRSA-N 496.605 0.781 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840194482 QCWRIOJPAGMMIW-ZHRRBRCNSA-N 499.586 0.177 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2)c1ccc(O)cc1 1840233673 XUXKLFKLHIYLOC-YZIHRLCOSA-N 483.565 0.872 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1F 1840772076 DQUSKDADCJRDEL-QFIPXVFZSA-N 479.530 0.993 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1)NC(=O)OC(C)(C)C 1840796069 RNCVXXWCDBIDGH-YADARESESA-N 480.606 0.864 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840805697 BYQLNUIJZBHRTF-QHCPKHFHSA-N 462.547 0.706 30 20 JCED CCn1nnc2c1[C@H](C(=O)N1CCCC13CN(C(=O)C#CC(=O)O)C3)CN(C(=O)OC(C)(C)C)C2 1842056447 VQCAXVUVOJWEDW-OAHLLOKOSA-N 486.529 0.424 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)c1 1845486726 UDSKOOGDJXYQFA-ZWKOTPCHSA-N 485.541 0.694 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCOCCNC(=O)OC(C)(C)C 1847259095 UIFQGWPEKHBKFR-LUNNPTDRSA-N 464.563 0.978 30 20 JCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C(=O)CN2CCOCC2)CC1 22550435 LFFQUFXEGANJHF-UHFFFAOYSA-N 460.579 0.428 30 20 JCED C=CCn1c(SCCC(=O)NC(N)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 24893401 XPTAYYCINUMFEG-UHFFFAOYSA-N 480.572 0.829 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1C 489223837 GXPCKTBXYVMWSQ-UHFFFAOYSA-N 453.467 0.713 30 20 JCED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 505853564 PCMZHGHCIVZTLO-UHFFFAOYSA-N 466.545 0.256 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 515923888 NACIXFCKCBCYHQ-UHFFFAOYSA-N 476.576 0.995 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(OC(C)C)c2)c1=O 520064570 PFFHDDLOEIGVOX-UHFFFAOYSA-N 482.606 0.834 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 521199085 AMGKLEGPMALEQO-UHFFFAOYSA-N 468.513 0.767 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 522284092 FKIYAGZPLVLNGG-UHFFFAOYSA-N 492.548 0.176 30 20 JCED COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)CC2)cc1 569046996 IEVLYOCFNRVMCG-GOSISDBHSA-N 454.443 0.273 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434410 WYOCPEOCEBUTNO-UHFFFAOYSA-N 486.506 0.431 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC2=C(C(=O)OC)[C@H](c3ccccc3)NC(=O)N2C)C1=O 726042547 KGVSBCMEAZROIG-KRWDZBQOSA-N 470.438 0.330 30 20 JCED CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403436 KIBHFZIJEHPXPO-XKXIVVFUSA-N 481.600 0.327 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 747200787 JVVPVFZYHRNVEI-UHFFFAOYSA-N 476.580 0.942 30 20 JCED C=CCn1c(S)nc2cc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)ccc2c1=O 750656879 ODBHJVCQZWPZGS-DLBZAZTESA-N 464.569 0.099 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)N3CCN(CC)CC3)sc(=Cc3cnn(C)c3)c2=O)cc1 839264526 APRZYLFCEKTSTP-UHFFFAOYSA-N 492.605 0.698 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cnn(C)c3)c2=O)cc1 839267798 UGEAUQAVQHCBEG-UHFFFAOYSA-N 453.524 0.297 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)c1 875244541 ZOKLXBGCRLZKTN-OAQYLSRUSA-N 453.411 0.014 30 20 JCED CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCC[C@H](C(N)=O)C1 913173871 RFAVGECXWWVNAK-MAUKXSAKSA-N 450.517 0.128 30 20 JCED CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 916714420 DPJTWXXFFONISR-HKOYGPOVSA-N 478.575 0.700 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1CCOC 917352300 PSOSAKFCLFVOCD-UHFFFAOYSA-N 468.329 0.282 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 918285592 PIKREJZOBBMVFI-XSOQZJFOSA-N 456.546 0.083 30 20 JCED C=C(Br)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 921130324 JLFHMXGZWLLYNU-UHFFFAOYSA-N 450.286 0.810 30 20 JCED COCC1(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1301117032 YYMYXUGRCQJTIP-DLBZAZTESA-N 468.580 0.547 30 20 JCED CS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1302506914 SNYRDEZFZYXJKW-UHFFFAOYSA-N 490.565 0.287 30 20 JCED CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)c1=O 1313849827 LQLCADVDXZDLMG-FQEVSTJZSA-N 477.525 0.910 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C(C)C)N1CCOCC1 1360240858 RPRREFUJDROOTR-VQTJNVASSA-N 458.611 0.950 30 20 JCED CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1618994371 HBDPHTOOCBVQPA-IPMKNSEASA-N 481.623 0.459 30 20 JCED CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1696824121 MZBHXASVTKRUNG-IBGZPJMESA-N 473.603 0.867 30 20 JCED CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1746713894 YLDVOSHZPYADRB-HSALFYBXSA-N 453.565 0.610 30 20 JCED CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1764673891 ZGTDRJBOEULBCV-MRXNPFEDSA-N 455.567 0.946 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1768526684 ZRKWATBJHILNGY-UHFFFAOYSA-N 467.559 0.825 30 20 JCED CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1778116842 LDLPSWSMQKWETC-QOYXERERSA-N 452.552 0.802 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)CCO2)C1 1778980151 RDSVVLGWMVVUEG-AIDSWVIKSA-N 481.590 0.617 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1779102861 YTGYJQZUERKEOF-YVPFWOTMSA-N 486.591 0.017 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1779338019 HRKROVSTGBMWSV-ZBNTXBBCSA-N 450.624 0.709 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779922864 RZDIHAVTOOMKET-AOMKIAJQSA-N 459.503 0.542 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780250436 RHGXWOCBJFHODN-AIYSXCBHSA-N 473.530 0.683 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)CCO3)C2)c1 1780334203 GTWRDMGJHCJCHE-QHCPKHFHSA-N 472.465 0.528 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1780931949 YNTSUXHFDWGGKO-UTKZUKDTSA-N 452.433 0.895 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)ccc1F 1781295028 GJILPAPYWSIODZ-QFIPXVFZSA-N 453.430 0.872 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1781295919 XPUIVKBMOLCZHA-HTAPYJJXSA-N 462.551 0.968 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781859689 TXRIRDVLLAFHIR-XWMMLSLGSA-N 453.540 0.131 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c(I)c3)C2)C1 1782126873 VZMLYYVUDRASJG-GOSISDBHSA-N 484.246 0.528 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CSCN4C(=O)[C@@H]4CCC(=O)N4)C3)C2)cc1 1782873365 RMCMTBJZQBCHDP-GLDPYIMESA-N 497.577 0.182 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c(I)c(CC)nn1C)CCO2 1783048872 MYMNOPRIHHADQF-KRWDZBQOSA-N 456.284 0.664 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783290880 DSWZCEMARRUCKP-ZBWOKKAISA-N 479.578 0.638 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1783766212 HADGIMWXADJCGT-HXOBKFHXSA-N 464.563 0.908 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784337013 ORABFCRACPEDDY-HTAPYJJXSA-N 462.551 0.968 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539778 AVSIPFFIPNZVOU-OAQYLSRUSA-N 465.597 0.375 30 20 JCED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1785609131 PIOBGALVHZBTKH-ORAYPTAESA-N 478.468 0.704 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncnn3C)[C@H]2C1 1785847668 JCHHTICCXSKISF-QAETUUGQSA-N 462.551 0.878 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)c(C(F)(F)F)n1 1786570959 ZLNAXJDUDHMCGT-DDWPSWQVSA-N 465.432 0.844 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)N4CCOCC4)C[C@@H]32)c(C(F)(F)F)n1 1787199542 QKCSKCUBFJWEST-FDRFZEDHSA-N 497.474 0.216 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC(N)=O)[C@H]2C1 1787412419 CFZAITPFFYXDHF-TXTZMMAHSA-N 479.578 0.330 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906910 XKVQJISKHFPGNP-CQEAQJRCSA-N 459.522 0.927 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1793593964 YSJQCYQJVFBPFR-KCYAQADSSA-N 452.552 0.557 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1793599881 IVTVZJCWNKDHMM-NRUGXNMXSA-N 464.563 0.572 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1-c1cccc(=O)n1C 1795934531 QWCZRFUYWNMFJE-FEJSZKPUSA-N 497.552 0.592 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCN(C(C)=O)CC2)c(O)n1 1797303397 LWYAYZPVVSHFMT-BBIADKPPSA-N 485.585 0.273 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1799353398 HVWMTCJCRGTUJK-NUICGWEBSA-N 498.577 0.381 30 20 JCED COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1799383156 PZKPMMJBGYURFD-HATOLVCRSA-N 478.546 0.176 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1801051431 FBHHCEHJUUFHAG-AIDSWVIKSA-N 493.605 0.230 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1snnc1C)C2 1802127939 SJHHQZXZWOGDBL-FZKCQIBNSA-N 463.560 0.966 30 20 JCED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1802694850 SEHBKFHWOCBRPA-GNBUJSLZSA-N 498.609 0.817 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804198112 MOOQGBUWSFFBEX-SLYNCCJLSA-N 479.603 0.619 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821040778 HROYDRXHSIDXJA-LLVKDONJSA-N 458.500 0.767 30 20 JCED COC(=O)[C@@H](CC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)NC(=O)OC(C)(C)C 1825674121 CJYFKKKEBRYOTQ-WCQYABFASA-N 494.526 0.600 30 20 JCED C#CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1826415987 UYSVEXSZFMGSFH-OAHLLOKOSA-N 452.602 0.979 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828595799 XMAPROIWQYYNOZ-MZNJEOGPSA-N 484.509 0.038 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1828803452 QAYDFYGGALIWFI-CYFREDJKSA-N 467.526 0.878 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1829692524 VEKRWWSXXQOVJF-STSQHVNTSA-N 467.563 0.637 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1829765562 ZPKHXLBTVOZKEH-LJBSOROUSA-N 488.932 0.540 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829825277 YDGUJTQFXWTYOF-LAXLYFBGSA-N 451.476 0.298 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(=O)OC)c3ccccc3)C2)C1 1831388347 RDHDVDZGBTUUAL-FPGHNAPASA-N 473.526 0.578 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1831397489 ZFULTPWEKDJZPM-UZUQRXQVSA-N 453.499 0.580 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1831421274 HHEUFPLFFKLLQC-FDDCHVKYSA-N 455.515 0.928 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1831435059 JYQAUOSBJLFYRD-PUZWTLIVSA-N 497.589 0.718 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCO2)c1ccc(O)cc1 1832381560 YNHOFCAUJKEGJX-FNZWTVRRSA-N 496.564 0.954 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2ncccn2)CCO3)ccc1F 1833168558 AUXXZTRSTDLYLX-QHCPKHFHSA-N 453.474 0.729 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)Cn3cccn3)CC2)CC1 1833884701 JFGJESIGBFIIFX-SFFCAUCYSA-N 456.591 0.949 30 20 JCED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)C(=O)O 1835752181 ONZICGOXCCIVAF-GCJKJVERSA-N 463.918 0.211 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCNC(C)C)CCO3)C2)c(C#N)c1 1835887232 QURVVLICWYYWSJ-DEOSSOPVSA-N 458.559 0.954 30 20 JCED CN(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836321804 KLVZPZYXYKIXIL-FQEVSTJZSA-N 469.464 0.994 30 20 JCED C[C@@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836321949 RPBURMQXRPBNEX-DJJJIMSYSA-N 455.437 0.637 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)[C@@H](O)C1 1836769361 LBTFDWUBHXJPSY-NWVWQQAFSA-N 494.589 0.755 30 20 JCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1836862141 MTFZHQDRHQVLCG-SFHVURJKSA-N 450.536 0.566 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837195916 CJYDJCSBZOJGAD-CSOJOJLQSA-N 452.471 0.740 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1837401144 VFJJVOKCAXVZJT-YTZAWJCFSA-N 499.605 0.292 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1837403824 RYIBKFXZPOHBNT-WATLYSKOSA-N 470.570 0.782 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1837428769 DHONNPNUPMAITJ-HXUWFJFHSA-N 489.582 0.219 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2)C1 1837496180 GTTYDLSNFWXCEM-AUSIDOKSSA-N 468.547 0.930 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1837562464 LCOFKDDAQAEYGO-MDQJKVKYSA-N 493.520 0.948 30 20 JCED CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)C(=O)O 1837884373 CGEKVLPHEOGKOR-DDCMRGNDSA-N 468.551 0.577 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]cc4I)CCO3)C2)CCC1 1837963162 FEURFUMDFZFWIS-SFHVURJKSA-N 499.309 0.778 30 20 JCED CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1C 1838150055 QEHRSJJBBVMBFT-KHLOOKIASA-N 463.535 0.810 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CCO2)C1 1838585208 CQZRGJCHLVXYCP-HOZJOUCCSA-N 471.510 0.514 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)C2)c1 1838905598 OJMKYGHPRZRELP-GOSISDBHSA-N 473.379 0.983 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)c1 1839044499 KBLXAGOEMYNVJX-XMMPIXPASA-N 495.561 0.533 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839048702 NXGWHZAFZUJURM-WZONZLPQSA-N 457.531 0.301 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1839174759 VNZJYMSSDJJYJY-WZONZLPQSA-N 461.515 0.827 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1839222981 HACNIFSHGLQRAZ-WBMJQRKESA-N 471.404 0.599 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)[C@@H]1SC(=N)NC1=O 1839362023 UITYBBFIHQXKQO-WIRVKHDMSA-N 485.566 0.625 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421261 FTRMTLYQPGGTMD-HSZRJFAPSA-N 454.458 0.780 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839635309 PBISEYFDPPKFQF-OFVILXPXSA-N 482.585 0.491 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839727334 LEOSGLSOTNGHJM-LLZJGCNPSA-N 469.582 0.882 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(F)CCCN(C(=O)OC(C)(C)C)C3)C2)C1 1839810600 IDBUCCKMNSTJOQ-YADHBBJMSA-N 453.511 0.815 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044236 RNHNSEQXEMFLCJ-UZUQRXQVSA-N 479.530 0.224 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1840169560 LKGZCDVMCMXIPC-KBMIEXCESA-N 486.569 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc(O)c1)CCO2 1840264793 BJCCCFWKHKLLNK-FFYIOULGSA-N 457.527 0.640 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H]3[C@H]5COC[C@H]53)CCO4)c2c1 1840609188 VBAGDDWZAROHCS-MUCNXURCSA-N 451.483 0.397 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cc1OC)CCO2 1840639083 ZNIZFFFUGYPTKW-KSEXMQBYSA-N 461.490 0.763 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)cn3)C2)C1 1840907190 PZIUSQOWNAYBAD-KOSHJBKYSA-N 487.557 0.772 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842921223 XUSBPQPVDIZNKL-SJORKVTESA-N 463.579 0.842 30 20 JCED C=CCC(=O)N1CCCC12CN(C(=O)CCOCCOCCOCCOCCOCCOC)C2 1846378332 XXMQSJGUUSTYCI-UHFFFAOYSA-N 486.606 0.885 30 20 JCED COCCn1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 27424955 AZPUOMHEHADUBX-UHFFFAOYSA-N 450.546 0.421 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)C[C@@H](C)O1 477031458 XSDIHOITERJASD-GPMSIDNRSA-N 461.544 0.162 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccnn2C)c1=O 502049459 IDWCPMWKOIFNKT-UHFFFAOYSA-N 451.508 0.738 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C1CCN(C)CC1 518714142 AVFWMTBYDHCHKC-HNNXBMFYSA-N 458.559 0.970 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1cnn(CC)c1 523179494 SPNVEAOIVNMLGK-UHFFFAOYSA-N 450.480 0.829 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc4c(c3)OCCO4)c2=O)cn1 523579765 GBTNQQPRIBQQLI-UHFFFAOYSA-N 481.534 0.152 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1cccc(NC(C)=O)c1 603496056 XZWIREUAWVOOSA-UHFFFAOYSA-N 483.575 0.888 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(=O)N(C)C 604270300 MUWXRBYSMUYVOR-UHFFFAOYSA-N 495.374 0.929 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(C(N)=O)cc1 608829023 WZGNPKJPJQSBNN-UHFFFAOYSA-N 474.542 0.960 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608829033 XOALGCXTWJILQF-UHFFFAOYSA-N 472.548 0.226 30 20 JCED CCN(C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1)S(C)(=O)=O 731350377 URDMFYWNQBFRBX-UHFFFAOYSA-N 456.590 0.778 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1 746139069 FSIVUFZAYMKNES-KRWDZBQOSA-N 483.568 0.338 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(C)c3)c(=O)n2CCOC)CC1 812932667 BGAMVPJSWRLYCT-UHFFFAOYSA-N 470.595 0.540 30 20 JCED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 914651963 JGERVJIRKVIPHC-DSESUSJESA-N 453.561 0.885 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1cnn(C)c1 1288863024 MYFWTFZOKVZRHP-MRXNPFEDSA-N 469.575 0.868 30 20 JCED Cc1ccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1304267551 STGUXLGGLJAAFQ-SJORKVTESA-N 476.534 0.787 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1360302008 OVHOGLWFPXDICS-RUZDIDTESA-N 496.616 0.442 30 20 JCED Cc1csc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)n1 1492648886 KWWKCHBHQCIRTK-ZFWWWQNUSA-N 450.594 0.878 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)C1 1507785418 OAMMIIJKJLKLDR-STQMWFEESA-N 478.369 0.519 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ccn(C)n1 1510215023 QRIZCCVLJALHIR-KRWDZBQOSA-N 483.602 0.864 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1510217126 GKFDAIJZXJSBFS-TZMCWYRMSA-N 481.533 0.841 30 20 JCED COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1555575092 KZKMMMSKLQMJGC-UYAOXDASSA-N 465.514 0.952 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1615414767 RAFHHBDCHIASIX-UHFFFAOYSA-N 494.600 0.666 30 20 JCED COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1619780178 WUZWDRAVXSTCJJ-HTAPYJJXSA-N 455.519 0.730 30 20 JCED CS(=O)(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1620162137 IQHCPIPMYWTUSP-KRWDZBQOSA-N 457.560 0.862 30 20 JCED CCCN1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1695398803 VSFAZRBNOPQZFA-QKLQHJQFSA-N 469.587 0.927 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)COC(=O)N2 1705755791 YMQWXRTWMMXRIN-ZDUSSCGKSA-N 460.944 0.442 30 20 JCED C=C(Cl)Cn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1705760973 XBWFNZAYSLVDPV-NRFANRHFSA-N 468.986 0.664 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC(=O)N1C 1708234552 PHOBWTOIASOELI-QGZVFWFLSA-N 467.530 0.645 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1710898919 RYPDVKTTZCEUMR-UHFFFAOYSA-N 467.559 0.873 30 20 JCED CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1748298120 ZZJRZSHJBLEWNJ-INIZCTEOSA-N 452.562 0.237 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CC1=O 1769900919 SKJBKPJMEGPYTN-OAQYLSRUSA-N 467.574 0.959 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1770350102 VEZQMSFQKHPRIE-FQEVSTJZSA-N 478.600 0.678 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1778980235 SNVUFPUUUXIZBN-ZHRRBRCNSA-N 462.572 0.295 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779041462 DPTPDSINXJHHQM-AOMKIAJQSA-N 481.619 0.217 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1779141279 RUFRQDGFPLAAPS-ZKSMDFIPSA-N 450.542 0.389 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)nc3cccnn13)C2 1780738676 WJHQLTIYVWIAET-HOYKHHGWSA-N 483.525 0.726 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1780933346 ZNWBCMOBXTYOFO-FNZWTVRRSA-N 495.576 0.950 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@](C)(NC(C)=O)c3ccccc3F)C2)C1 1781414480 SWCSJWKPYVYSOF-MVKCUJKCSA-N 486.544 0.865 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)Cc2ccccc2)C1 1781891305 MFWHLVARSIPIOE-ZRKNVHOFSA-N 455.555 0.962 30 20 JCED Cn1nc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c2cc(Br)ccc21 1782532241 WWNKTKHRRYKPID-FQEVSTJZSA-N 475.299 0.867 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783243988 OMKUDJOSAPHTHW-STXHMFSFSA-N 455.602 0.952 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)OC)C2 1783268219 DUCVJBAZEIIHFX-SEPYTNNBSA-N 480.562 0.773 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3cc(Br)ccc3n1)CCO2 1783563808 AKVWXRXLOSEKOT-IBGZPJMESA-N 461.272 0.628 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)CCO2)C1 1783898721 SUDLXJWBHCHGEH-QKKBWIMNSA-N 491.595 0.426 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1)C(C)C 1783899735 DWVYMGZZBMNCQZ-TXXWUTRGSA-N 484.619 0.506 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1785429972 OGQRWDCMCDBWQL-GAJHUEQPSA-N 479.578 0.572 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)[C@@H]1CC[C@H]2CCC(=O)N2C1 1789768821 KMSWNSCUQRGLTI-DCLIBRIOSA-N 476.574 0.896 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H]5CCCS5(=O)=O)C[C@@H]43)c2c1 1790330225 CZUWMEZDSMPXBN-OYSPMZIOSA-N 471.539 0.605 30 20 JCED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)nc2nccn12 1790408432 MWHWMKAXZJNSOY-LNLFQRSKSA-N 453.547 0.913 30 20 JCED CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)C[C@@H]21)C(=O)C(=O)O 1790635593 WRYNWZDHSJAOPH-BPUTZDHNSA-N 462.890 0.348 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC1(c2ccc(NC(=O)C#CC(=O)O)cc2)CCC1 1791450321 HMZYCWFNQIARLD-INIZCTEOSA-N 472.498 0.977 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C[C@@H]21 1792172337 WUSPZBJTRJGULL-BJLQDIEVSA-N 466.542 0.573 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1792256737 JCFHJVXBFVWAOU-OKYOBFRVSA-N 487.557 0.140 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1792258710 NAHJJFGJMCTWKL-XSLAGTTESA-N 450.536 0.019 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1793085013 SVTFAEYUDFVKFV-WSYJELTKSA-N 478.546 0.564 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1793085787 NNOGRUHOYXNMCL-IIZPIQPGSA-N 471.554 0.903 30 20 JCED CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)C(C)(C)C 1793198140 SNDVEIGQXMENDH-RLWURPSJSA-N 452.552 0.656 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1793342861 WTQQYPXCDHRHKD-ZSXDVEMLSA-N 465.547 0.250 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(=O)O)ncn2)c(C#N)c1 1794368470 LZPFUAAAFYEEMH-VPTLXERWSA-N 465.466 0.501 30 20 JCED COc1nccc(I)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795084300 UQETYQKTRLCRJF-QHBPRCKVSA-N 470.267 0.812 30 20 JCED C[C@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1795514718 QWFRHNKNYTYJBB-ZJPYXAASSA-N 463.579 0.712 30 20 JCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC[C@H](N)C(N)=O)C3)c(C(F)(F)F)n1 1796458782 RFFDVKNKTFAVLH-XFMPKHEZSA-N 452.437 0.817 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC 1797756515 MDTKGPDXFJICDV-KYHPRHEASA-N 483.635 0.529 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1797784242 QFZFPGBWRIUKFA-KKKPSNMISA-N 469.538 0.740 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc(C)c(C)[nH]c2=O)C3)c(C#N)c1 1799239043 UKXOGUFKPMZLJD-RMFSNUHRSA-N 465.510 0.713 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)nc1 1799883627 SCSFXTRZTOIQME-YVWYUNDQSA-N 494.533 0.750 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)nc2O)C3)N(C(=O)OC(C)(C)C)C1 1801103945 NFERTZJQCDABAK-FSDCSDTHSA-N 489.529 0.657 30 20 JCED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C(F)(F)F 1801446927 CGUDYMNMGATVGD-AIEDFZFUSA-N 474.505 0.923 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c(O)nc(NC(=O)C(C)C)nc21 1801458491 DGFSBDKSTCSTRN-NXOAAHMSSA-N 497.556 0.803 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(N)=O)C2 1802283137 OYIWLKLUDJKBKF-YVSFHVDLSA-N 495.577 0.696 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806078358 KTSMSJSMPDOCPI-CWZDDEHYSA-N 477.525 0.200 30 20 JCED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)cc1 1811890207 JCQJLAARBFFGKM-YLJYHZDGSA-N 469.465 0.713 30 20 JCED C#CC(=O)NC[C@H]1CCN(C(=O)c2ncn3nc(N4CCOCC4)ccc23)[C@H]1c1cccnc1 1812527085 XFWCESRJZHEYTB-JPYJTQIMSA-N 459.510 0.914 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)ccc21 1812877625 NWMJHFFPRRHPPY-HTAPYJJXSA-N 461.478 0.680 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)ccc21 1812877632 NWMJHFFPRRHPPY-VGSWGCGISA-N 461.478 0.680 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1819451498 WSBDUMCRJDXVRC-DJIGPATGSA-N 461.479 0.529 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1822222731 PNMNTGBGDJECCT-CABCVRRESA-N 491.501 0.946 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)c(C#N)c1 1822808039 SKKUWXYNYYDDNQ-GOEBONIOSA-N 470.555 0.771 30 20 JCED COCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828909032 WDKUWLJDLAMRDX-HSZRJFAPSA-N 457.483 0.563 30 20 JCED O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828948317 MZQFEUJVIUBJEX-LJQANCHMSA-N 481.557 0.745 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1831433659 XGZRJCAXVPXVMP-QRQCRPRQSA-N 477.470 0.985 30 20 JCED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CCC1=O 1832379930 HDMZRJKLRALGJS-QHCPKHFHSA-N 453.499 0.431 30 20 JCED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)C2)no1 1832924142 FOWBKDHQVOJJFK-HXUWFJFHSA-N 494.430 0.976 30 20 JCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c(F)c1 1833631804 BEJGEZWSXPKUCN-ZGOGOCENSA-N 480.493 0.828 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833784827 XSQQLLXGHRLTEA-ARJAWSKDSA-N 473.534 0.221 30 20 JCED Cn1c(C(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)cccc1=O 1834084915 VROUDUZXTKUMRP-UHFFFAOYSA-N 456.591 0.852 30 20 JCED CCc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834519853 WJPFUCYHVLYICO-OMJZWIOZSA-N 450.492 0.836 30 20 JCED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1835600817 ZPAVLFLTJKGRNM-YJGRUCBDSA-N 458.559 0.939 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642591 RYWIZTALIKYAQI-IXFSTUDKSA-N 499.609 0.486 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680047 DMFOVYFQRMXBRO-FIYNTEMGSA-N 487.557 0.495 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)COC(=O)C(F)(F)F)CC2)CC1 1835684734 ZLPXCSYVLSFXBZ-ARJAWSKDSA-N 474.480 0.522 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cccc1C=O 1835955936 QFFPTCYGMNKPOI-YOZWEQBPSA-N 459.547 0.790 30 20 JCED Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320963 ZVZNLCMHFWBINY-LJQANCHMSA-N 479.419 0.484 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837078251 BCMRHPFAQHAWTR-QNRXVKNXSA-N 471.514 0.933 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837139265 WQPGCXIAVFKZNO-WNSKOXEYSA-N 472.498 0.692 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1837399368 RPDHJEGQKYQBCT-SCLBCKFNSA-N 452.426 0.121 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1837405671 ZEUOJGCXTWRMAK-KNOQFWTLSA-N 473.570 0.834 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(=S)NC)CCO3)C2)c(O)n1 1837462441 JRCBUAZXNGJFKM-QHCPKHFHSA-N 491.614 0.460 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492456 HLZZBQYZHXQKRN-XMMPIXPASA-N 458.559 0.724 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837527757 VMPYAULVENPCBU-ZFXIOAMPSA-N 453.492 0.091 30 20 JCED COc1nc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1838175416 VWBDQMTYEQEFMP-XKUSAJHISA-N 476.530 0.998 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)c1ccc(F)cc1 1838738754 ATBDQXKQIJBKPI-QPPBQGQZSA-N 483.500 0.973 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738999 HXFLVFSJQWHLCD-JPYJTQIMSA-N 491.545 0.232 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138809 PHXPRVSWRSXJPW-JPYJTQIMSA-N 483.562 0.022 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187181 OALIMEXHLSDFPP-OSPHWJPCSA-N 482.516 0.987 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839188308 WMFDXDXGBQQXBW-PNOMZVSUSA-N 458.490 0.736 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(C#N)c5)C4)C3)cc2C1 1839622139 NEYPVLZLKZBJQD-RUZDIDTESA-N 478.553 0.974 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1839650939 BMWODOSXBGRYLM-ZFCBIQLQSA-N 477.518 0.100 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)CCO3)c1 1839727604 TVAQDAVLHADPDV-JCYRPKCISA-N 493.564 0.592 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839887287 VODGFLZFUSWGDZ-DQMJNTIXSA-N 494.589 0.438 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)C1 1840159246 ZMGYKDYISNDNKD-SPLOXXLWSA-N 483.974 0.840 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1)c1ccc(O)cc1 1840322579 LXMYPEHGLOULQE-CYFREDJKSA-N 473.526 0.702 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Sc1ccccn1)CCO2 1840390036 SEDBEANOUMBEBG-ADWLJLTJSA-N 474.583 0.877 30 20 JCED CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)C1 1840819960 QKWNUSJLSLSBHV-HYBUGGRVSA-N 456.543 0.735 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1840908400 ASFYIILOBZXNBO-DVECYGJZSA-N 489.573 0.634 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 1845230797 AWYBTHZVBXPHIF-INIZCTEOSA-N 453.536 0.975 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OCC)C2 1847082525 WPIFITARKHSPID-ZCCHDVMBSA-N 466.535 0.724 30 20 JCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cnc21 489005996 YUCLPHTVNZTTFQ-UHFFFAOYSA-N 454.512 0.802 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1c(C)cccc1C 501992707 DDMSMXAFOFNWHJ-INIZCTEOSA-N 451.552 0.904 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CC1 514913771 MMFQVRNUQPNWGJ-UHFFFAOYSA-N 469.523 0.104 30 20 JCED CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C#Cc4ccccc4)c3)CC2)CC1 516055113 HRIXOWSDRCEVJU-UHFFFAOYSA-N 495.605 0.661 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 522541425 IUEMMUDFAHQTMK-UHFFFAOYSA-N 478.530 0.272 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(C(N)=O)cc1 523251657 FCLSTQSUWOJNCK-UHFFFAOYSA-N 483.575 0.500 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 523258216 BKMUKILYQHLCBY-UHFFFAOYSA-N 460.515 0.812 30 20 JCED COCCNS(=O)(=O)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 603919526 OCLZKCIJDNVLLA-UHFFFAOYSA-N 480.568 0.420 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2cccs2)c1=O 604270026 MWCUBOPYNVMZLW-UHFFFAOYSA-N 496.570 0.972 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(=O)N(C)C 604508435 ZVJINMUOVOSALK-UHFFFAOYSA-N 478.521 0.875 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 728768357 CLBPCAXCPABEGC-GOSISDBHSA-N 483.481 0.037 30 20 JCED C#CCOc1cccc(NC(=O)C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)c1 731130768 VRXGNJAAHNWGQE-UHFFFAOYSA-N 472.303 0.678 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)sc(=Cc2ccnn2C)c1=O 914565063 RTPHEZFFRPBWHO-UHFFFAOYSA-N 497.577 0.169 30 20 JCED COc1c(F)cc(CC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1S(N)(=O)=O 915543009 CXOVYRXWNNMUGN-UHFFFAOYSA-N 495.489 0.084 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301042026 PHWUQFJDEKJZQG-CYBMUJFWSA-N 452.002 0.793 30 20 JCED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1596871406 YXYVHXDCUMSCEG-ZIAGYGMSSA-N 454.578 0.624 30 20 JCED CCN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1615625189 KREBQRORMLPIKM-INIZCTEOSA-N 458.610 0.592 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1706095701 ORYCCLJSXBGBCB-LIRRHRJNSA-N 471.559 0.215 30 20 JCED C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)C1 1706938338 IYCQSUCCTWVBHJ-OAQYLSRUSA-N 489.627 0.897 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)Cc1ccccc1 1723935952 UPAQTAUZJPPXSJ-DNVCBOLYSA-N 484.579 0.945 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1729299043 PFHLPDXSTKXTNO-VQTJNVASSA-N 452.563 0.935 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1748293566 OZOFVXVRDNXZOF-UHFFFAOYSA-N 452.562 0.379 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1768638706 UAIKPTVJXJFXGM-IBGZPJMESA-N 472.571 0.937 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c(C#N)c1 1778384288 ZPTJKDQIUXDDJK-VWLOTQADSA-N 492.536 0.583 30 20 JCED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CC1 1778848312 ZMOOPDKUCXZBIW-FDPYEWOUSA-N 465.595 0.277 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1778973850 NTDHOVRHGDZWSP-NDBKNAECSA-N 481.590 0.760 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1cccnc1 1779099604 IVHCSSOASKYULR-NMUQBYKOSA-N 459.503 0.170 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104470 ABNAVAWACIALMX-BIDSZKBNSA-N 471.551 0.415 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1779139426 SNENKWSEJWUIFO-UUVZMSSXSA-N 455.515 0.829 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1779419608 DQCIYKLCZOPYCX-OXIIEPKYSA-N 476.530 0.344 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC[C@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)csc2n(C)c1=O 1780922312 GSBPBYDIPWWSOG-QHCPKHFHSA-N 485.566 0.365 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1781290211 GNBLLBYZXUNXEW-WAIKUNEKSA-N 493.561 0.228 30 20 JCED COc1ccc(Br)cc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781462768 DIHMTJCOYAUYBP-LJQANCHMSA-N 451.273 0.989 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781794036 PTSOCCMITKBNMQ-DFBJGRDBSA-N 499.568 0.965 30 20 JCED Cn1nc2c(c1C(=O)N1CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)CN(C(=O)OC(C)(C)C)C2 1782558644 IJZYATFROHAJEI-QHCPKHFHSA-N 487.513 0.202 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c(C(F)(F)F)n1 1782956898 IFJOSFCURHMTLX-BEFAXECRSA-N 486.472 0.993 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1nc(N)n[nH]1)C2 1783134744 CWVYTBSHANOTMW-WZONZLPQSA-N 467.530 0.784 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1784014360 YNEIBLJIXOJHNY-JTLGAQIJSA-N 493.605 0.660 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784486748 NADISUBTIOGLLO-VJANTYMQSA-N 469.579 0.835 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)(C)O 1785611802 SRSYOCZIPMDVBB-OSPHWJPCSA-N 495.621 0.762 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1786857835 GHZKVMBKHNOVLX-QXKUPLGCSA-N 464.592 0.050 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(=O)OCCO)C[C@@H]21 1786859383 FRAHRBUCRYKKLR-YYWHXJBOSA-N 486.569 0.711 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3O)[C@H]2C1 1789118086 PZONRCZNXUEQQT-OWLYRPNTSA-N 473.530 0.692 30 20 JCED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1789829613 SXBGXWGNIUWTFQ-XSLAGTTESA-N 479.578 0.641 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)[C@H]2C1 1791434244 UUKHEQFPRKUNBQ-VMXHOPILSA-N 477.558 0.931 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)OC)C2 1793592731 QVMWJWLZZPEAHV-YYAJDYIMSA-N 485.603 0.952 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1793830104 MJGXPUFDSCAICP-FCGDIQPGSA-N 498.646 0.824 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3ncccn3n2)c(C#N)c1 1796958750 LTKJJXKERXUBAX-XEMDLRDOSA-N 461.482 0.450 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O)c1ccccc1 1797967471 CJARHDHWGRWSRB-SPHOGXRMSA-N 455.555 0.924 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1 1799055303 KZUZWVDUASVXAL-VOSKCVMKSA-N 496.612 0.895 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799751775 BPABYTRPYCQJDF-WOUAJJJCSA-N 477.901 0.910 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884237 MZXUTXOULISWPX-WOUAJJJCSA-N 483.481 0.133 30 20 JCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccc(O)nn2)c1 1800203892 DWRAHFNLLKBRFD-FEJSZKPUSA-N 451.483 0.655 30 20 JCED CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc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c2ccco2)[C@@H]1c1cccnc1 1810094578 LJKJGTFLBXQKNH-OYIQWKTMSA-N 457.487 0.864 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)[C@H]2c2cccnc2)c(=O)nc1O 1814039716 GLXKUNBQPIJNTR-YMMNGIQKSA-N 498.540 0.887 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)CC2 1819707622 YXXSDZAAIOITTL-ZOWXZIJZSA-N 458.606 0.956 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828972150 IZIBDWQUYQGTEZ-ITFWABFYSA-N 451.568 0.728 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1829332180 BGRHAMUMOCKAHP-QHCPKHFHSA-N 482.449 0.534 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1829332531 QERSLADSGVMQBB-GLDPYIMESA-N 469.494 0.297 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1829466702 OAWNHUYCMGASAH-VWLOTQADSA-N 498.536 0.395 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCN2C(=O)OCc1ccccc1 1829474924 WKNYOPBITQSPCA-NLFFAJNJSA-N 483.521 0.953 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@]4(O)CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 1829673341 JVHQASPNAJZBRV-RPWUZVMVSA-N 479.574 0.781 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccccc4[C@@H]3O)C2)C1 1829762761 QNUOXEDABKRFPU-YOJSLLHDSA-N 483.565 0.597 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1829766422 YHHFGYDKCYFLED-YLNCNTMDSA-N 453.499 0.491 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=Cc4ccccc4NC(=O)C3)C2)C1 1829768651 DCAMDEIEBVDCQA-PAUWSZDUSA-N 494.548 0.727 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1829787153 MWOUNXSKIDPLJK-HYBUGGRVSA-N 475.590 0.906 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2)C(F)(F)F 1830351625 AMUVZDSLGGTAHA-TVTNDZMWSA-N 499.486 0.741 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(Br)c1 1830798362 IOAKMXUUVIUBMA-OAQYLSRUSA-N 495.326 0.545 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831225744 YTKVCGQWBMGOQL-UUOWRZLLSA-N 475.542 0.782 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC(=O)OC(C)(C)C)C2)C1 1831388798 XRGSNRGKPSXPJE-MBSDFSHPSA-N 452.548 0.993 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1831393278 VSNDWGOXROPNSP-JJTGBXKASA-N 485.581 0.382 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1831396391 DUAWMFWEWCBYFN-NYHFZMIOSA-N 475.454 0.432 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832498650 GYXXBECOTRAFIZ-RDPSFJRHSA-N 474.510 0.792 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](S)C(C)C)CC2)CC1 1833449370 XAKZMQBTTAEQTQ-CRAIPNDOSA-N 462.682 0.840 30 20 JCED O=C1NC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)O1 1833513186 VCBIRGVYGNGKAK-TYEVOWRTSA-N 451.524 0.195 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)no3)CCO2)C1 1834230542 NFYSBFJOVTZAOU-GAJHUEQPSA-N 476.530 0.970 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccc1C(F)(F)F)CCO2 1835018378 WNOOSQYLFSDZOR-HXUWFJFHSA-N 454.401 0.792 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CN)CCO2)C1 1835533950 VOHYMJJGXPVECE-YVHKJVDXSA-N 454.568 0.507 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)ccc1F 1835705758 LAGKUUGBRPUCKR-LADGPHEKSA-N 467.501 0.791 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1836475362 NJDUWJVWZJNFCC-REWPJTCUSA-N 454.552 0.521 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)c1ccccc1 1837207708 DWIMFZNOJVKZLV-BPYKYCOYSA-N 487.553 0.705 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492353 GPCQTXVUPPVUNF-WZONZLPQSA-N 466.531 0.703 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837531295 HVQUQGWAXARPMM-PIVQEWKSSA-N 462.503 0.689 30 20 JCED CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)C1 1839066817 VHHRPLBGDNVQCP-DMYAPDPUSA-N 452.552 0.314 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2 1839124326 YJJKQEGBPNFCKU-MHECFPHRSA-N 496.605 0.781 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1839173880 RNGQDDCGMMCLKK-HSZRJFAPSA-N 471.514 0.617 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839185394 YIXBHXCGEZFXIF-WZONZLPQSA-N 492.577 0.594 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)ccc1F 1839186827 QGFFGCVWRZSDMX-HSZRJFAPSA-N 453.474 0.729 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1839224941 TWZDNHTYDXLOSR-OXJNMPFZSA-N 451.549 0.826 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1839225835 VWHOIRMRTFQLET-MZNJEOGPSA-N 485.541 0.804 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)ccn1 1839225959 ZSKZYMMYRAMNGH-KSFYIVLOSA-N 461.519 0.911 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839372516 FVKALULXWXZXJS-IKAIYALRSA-N 479.486 0.402 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421891 QXNJKTBKYJRNMW-MBSDFSHPSA-N 492.504 0.610 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839666625 COXDYWQAFDUFGV-PDOGEWKWSA-N 474.558 0.229 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)COc2ccc(O)nn2)CCO3)c1 1839667631 ZJMSJSSMEZYGMY-DEOSSOPVSA-N 481.509 0.522 30 20 JCED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1839761450 KBBWYTBNQJGBJA-VSDLEHRUSA-N 467.519 0.315 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1840071663 CRXHVYDOWIQQGL-QDGJQWLKSA-N 487.619 0.522 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1)c1ccc(O)cc1 1840220709 ZVMQNLYYPSVHQB-NTKDMRAZSA-N 460.527 0.965 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251809 ZFWDQUVZZSJMSH-XFAGBWLFSA-N 492.573 0.145 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1cncn1 1840421851 GLUHEMSUZCASSU-VGSWGCGISA-N 454.487 0.246 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCn2ccnn2)CCO3)c1 1840445785 MGADQTHXTSUZHK-QHCPKHFHSA-N 452.515 0.629 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1840854463 CARXWDGRVLMCML-RCZVLFRGSA-N 486.569 0.871 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=COCC3)C2)C1 1840908308 IXIRDIIEFZXGBQ-JPYJTQIMSA-N 463.531 0.664 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)C(=O)OC(C)(C)C 1846195522 ZXAFNUFDLWFQCQ-OAHLLOKOSA-N 479.530 0.903 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)Cn3c(=O)oc4cc(S(=O)(=O)N(C)C)ccc43)CC2)o1 509053619 NEHDLIFMXYDKHI-UHFFFAOYSA-N 474.499 0.362 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c1=O 523322240 NOTCNLIMEMSVRB-UHFFFAOYSA-N 460.512 0.892 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3C[C@H](O)CN3C(=O)c3ccc(F)cc3)CC2)o1 725953794 ULWSKDQLUKJQJL-PKOBYXMFSA-N 485.472 0.461 30 20 JCED CN(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C(C)(C)C#N 749819010 XLZUROVULKWWIK-UHFFFAOYSA-N 494.570 0.461 30 20 JCED COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 822121602 IVJPPPVJTMANDX-ZDUSSCGKSA-N 459.480 0.760 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCNc3ncccc3C#N)cc2)CC1 917156308 MRWORGLBOSJZTK-UHFFFAOYSA-N 456.528 0.648 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CC(=O)N(C)C 918729452 KDENDYQNGXPOQJ-UHFFFAOYSA-N 492.985 0.316 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 918930091 GYFDJADWSWCIDP-SFHVURJKSA-N 490.582 0.908 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 919206626 DSFIEXDMWCLSKR-LLVKDONJSA-N 490.332 0.746 30 20 JCED CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 919506516 BXQBMHQETQRRQM-UHFFFAOYSA-N 451.483 0.962 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)c1 927571607 OWRPUQPESOVBIT-FXAWDEMLSA-N 470.569 0.473 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1301774502 XKBCGESKNXDOND-NFBKMPQASA-N 488.614 0.771 30 20 JCED N#Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]2CCCO2)cc1 1318324636 DQCFRNWVWYQUCF-IBGZPJMESA-N 460.556 0.809 30 20 JCED Cc1ccsc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1360923049 JLJWYEPHPLAUQO-JKSUJKDBSA-N 466.589 0.952 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1504888393 PSEMWBJXWHAFBS-SFHVURJKSA-N 463.564 0.729 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1611687125 RSSQWAWIDNDNSH-LIRRHRJNSA-N 484.579 0.923 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1691004889 VOEYJFWPRMWWKK-QAPCUYQASA-N 458.548 0.903 30 20 JCED CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCOC1 1729953794 MNPQGQTUDORIFY-NRFANRHFSA-N 476.559 0.616 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCNC(=O)c3cc[nH]n3)CC2)c1C#N 1742670094 VUQCAMIKDUEWMK-UHFFFAOYSA-N 465.566 0.870 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749269070 MJTRIRIDTXZVHY-HZPDHXFCSA-N 460.988 0.716 30 20 JCED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1750386991 QPMXAPZDNDAJPO-CQSZACIVSA-N 454.457 0.369 30 20 JCED CC(C)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1760837627 YFQINGOCRYXGGB-UHFFFAOYSA-N 475.575 0.583 30 20 JCED CC[S@](=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1768312363 XKGIWACZJLRJBK-JTBPQFFMSA-N 466.589 0.693 30 20 JCED COCCN1C[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1=O 1769875391 IPHSTZXATKELSL-SJLPKXTDSA-N 458.567 0.088 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2cc(Br)cn2)CCO1 1770748862 SNWABYQBNJPFHW-DZGCQCFKSA-N 484.380 0.958 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1777962553 BGDWXZMCTKQLMU-YZZKKUAISA-N 475.546 0.899 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780168212 FXXKGNZTJLEORP-YCRPNKLZSA-N 464.544 0.338 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1781399910 GLOLWBNNCIADND-VWKPWSFCSA-N 456.540 0.503 30 20 JCED CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)c(C#N)c1)C2)C(=O)C(=O)O 1781543363 MEDOFPAZAXHLOY-WZONZLPQSA-N 474.489 0.297 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)cc(C(F)(F)F)c1 1782030711 DYYJSPMEBGCSIJ-FQEVSTJZSA-N 479.415 0.572 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783141568 DEMBZYWAJDPCPF-HYBUGGRVSA-N 472.542 0.824 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783176705 AYWLLLSSJMXYTC-BXKMTCNYSA-N 491.589 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]21 1783530306 QPHQPZMFIXDRKA-KJDLQJKJSA-N 455.511 0.796 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(C(=O)OCC)c3)C[C@@H]21 1783531437 QESBVVOQNQXUNO-BRXVOJRQSA-N 470.526 0.710 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1783603788 VDZCZNLBBQXVOH-PJSUUKDQSA-N 459.565 0.591 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1783647279 SCVREAXYXDTDBK-ZQDYSYBYSA-N 477.583 0.907 30 20 JCED COc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc(OC)c1OC 1784848837 YIZTZTPEUOKGDH-BXWFABGCSA-N 460.483 0.323 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)cc(C(F)(F)F)c1 1786890333 DOYRLMDXTVXRQP-MGHWNKPDSA-N 481.475 0.763 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788111926 ZZLVAQFZXKWQLK-VJANTYMQSA-N 471.620 0.211 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21 1788474171 YSUHHPOSMHLPNC-RNVRALISSA-N 460.487 0.225 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21 1788575975 WNCUQWJUHJFDJC-XODARUQUSA-N 456.587 0.936 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788718123 XXCJXYIKIYYQED-CUWPLCDZSA-N 463.494 0.950 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(I)c(OC)c3)C[C@@H]21 1790790775 FIMBZBGOCSPLBP-WHOFXGATSA-N 469.279 0.921 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCSC)C[C@@H]21 1792258450 DTZQWZSFBOWPAL-VMXHOPILSA-N 483.631 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1CNc3ccccc3O1)C2 1792490262 RVMFSFVVIKHMHE-KOSTXOEESA-N 454.527 0.698 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793085064 VZWRWMFIAKVHHW-MDMSPXHWSA-N 469.579 0.425 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)NC 1793285296 FNPVDASTQRZODA-AXVVYFOYSA-N 464.563 0.409 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)C2 1793344389 NDNMKAUZIUPNTB-YGBCKFAYSA-N 467.538 0.963 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)OCc1ccccc1)C2 1793347900 NULJLWVVOHFPMJ-LXDWIVHCSA-N 457.527 0.929 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[n+]([O-])cc1)C2 1793598702 CQULDGMLVJRSAV-RDGPPVDQSA-N 460.531 0.993 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ncccn1 1794193777 HJCQHVPGLPSMII-AXVVYFOYSA-N 457.531 0.525 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n(C)n1 1794328117 RWPWEHNEOPUGGI-LOAAXEFPSA-N 475.546 0.798 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2)c1cc2n(n1)CCNC2=O 1794970297 FIUWGOXRVGEWPW-VPTLXERWSA-N 467.913 0.535 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795417992 VMKJBCUYTYRVQN-ZMMAXQRCSA-N 493.609 0.426 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C)NC(=O)OC(C)(C)C 1795466526 YNBLPQIEHYFLTG-DFGXFYAUSA-N 452.552 0.524 30 20 JCED CCc1nn(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1Br 1795962086 PWKCLWMXSUOXCV-CULMDFNYSA-N 453.293 0.036 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cn1 1796076491 FYRVUAOEAHHIRS-MSHIPTOESA-N 494.570 0.358 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797624628 CCPZCTIEGCIGAW-BASYENTBSA-N 477.566 0.379 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)C2 1797709833 NGPYNHCTAWSUIL-KNOPUDJJSA-N 495.617 0.910 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccnn1 1800271553 WDEWOZPRNQDBEM-UYTYNIKBSA-N 460.535 0.345 30 20 JCED CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1800541678 SAELCPCHKYKOJM-CYGHRXIMSA-N 486.635 0.704 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(Br)cc13)C2 1800776065 QWFPYDXFVNCVPK-YQYWCBKUSA-N 461.272 0.617 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1801992037 UCWOMVIJEIGSRG-YVWYUNDQSA-N 451.439 0.329 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnccn1)C2 1802126796 NOZTXEFQCCGHPN-MOSHOXMJSA-N 469.542 0.996 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(N3CCOCC3)cn2)[C@@H]1c1cccnc1 1805068202 IINVFFCJNDQSDA-MBSDFSHPSA-N 463.494 0.721 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C(C)(C)O 1814218918 FVYGBNCYBYCDLB-NSISKUIASA-N 488.541 0.840 30 20 JCED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1815799274 BHNWIMGKOCBWTN-AWEZNQCLSA-N 454.491 0.425 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1817318549 OIZKIEXCVKLWKW-CQSZACIVSA-N 453.507 0.886 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819900163 FVPRPKFXQMSENG-BHUQTEAISA-N 487.604 0.912 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822204946 UOFVHXDEQRGPGJ-RDTXWAMCSA-N 491.501 0.946 30 20 JCED C=CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828585408 VKKIMGGYIDJPIK-WWEVIYMKSA-N 473.574 0.316 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807989 CVHXGKAPHMMMGZ-HSZRJFAPSA-N 486.598 0.836 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1829330576 LESRYVHKERJRJZ-DFBJGRDBSA-N 496.520 0.053 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1829765963 CCZNVPLMTSJIKI-IYZQMXKPSA-N 453.499 0.263 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4sccn4c3)C2)C1 1829766067 JJZGCXVGRTUTBF-BNOLWBGWSA-N 458.540 0.929 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1829770512 VCBGBLXSCWHUQW-HZQHCPKGSA-N 453.446 0.207 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1830638199 IGVQJWTWXRRAIL-JOCHJYFZSA-N 469.604 0.637 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830673940 BPPMUDZJMRSVOD-LXAKAXFHSA-N 469.538 0.354 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)C(C)C)CCO2 1830860617 OARIGGSBNYWILL-IUKKYPGJSA-N 469.579 0.929 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1831393735 OOINBSACYHZQQS-PNCHPQGNSA-N 467.563 0.784 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCN2C(=O)C=CC2=O)CCO3)c1 1832015716 WUWHRPRMHXMWOX-RUZDIDTESA-N 480.521 0.262 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1832452512 AFGPFJCQWICRRQ-HSZRJFAPSA-N 476.599 0.907 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1832456738 XPFRCYINCSABMO-HSZRJFAPSA-N 472.567 0.923 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1832667789 HZDZMLHCDRTGQF-QHCPKHFHSA-N 453.451 0.869 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(C(F)F)c1)CCO2 1833314571 CTJOBERCHZKODA-BNOLWBGWSA-N 464.469 0.948 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833411204 BBHHWZQTXCUTGO-WAIKUNEKSA-N 491.545 0.112 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(NC(=O)CN5CCOCC5)CC4)CC3)c2c1 1834621280 QRLFCZDYTVGSIS-UHFFFAOYSA-N 479.585 0.952 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1835677151 JGINXUWEPDUUJA-HSZRJFAPSA-N 454.531 0.915 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1835677843 YEUOKZJOGJRIDQ-YKSBVNFPSA-N 456.543 0.728 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(C)C)CCO3)C2)c(C#N)c1 1835887233 QURVVLICWYYWSJ-XMMPIXPASA-N 458.559 0.954 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2[nH]nnc2C)CCO3)c(C#N)c1 1836302465 AQOOEXYUANMWHX-QFIPXVFZSA-N 454.487 0.306 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837016172 OHVBAKYZFVVUEX-FAYQCXCPSA-N 472.502 0.328 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837079432 MJEOACXEXYDADV-HXUWFJFHSA-N 485.647 0.289 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCc3[nH]cnc3C)CCO2)C1 1837331462 VIANNPSNWBJOOX-JOCHJYFZSA-N 480.587 0.917 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837379826 HDJUORMXGDQHSE-QRQCRPRQSA-N 461.494 0.475 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440519 MBVYXUQEBJSYOC-BPWCYXMDSA-N 481.594 0.828 30 20 JCED Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837524769 MJHHQXGIXICOCS-BPHSFESTSA-N 463.535 0.485 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1837527616 QVLUBEBZBHEZCV-RKTCWTLSSA-N 464.494 0.749 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567482 MVFLRBAUTKRNNN-HXASPLJHSA-N 482.537 0.973 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)ccc1F 1838375708 HOLFXHSCNXGXMS-QFIPXVFZSA-N 455.446 0.506 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1839173830 OCJUWBIZNUVSFE-DEOSSOPVSA-N 495.573 0.819 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839186114 ZZYNNMWDDTVHGF-UZUQRXQVSA-N 479.530 0.390 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363997 GSXVLTNDKOUYNV-RCZVLFRGSA-N 494.552 0.293 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)cc1 1839364106 LZCMSGIEUAVYOZ-XMMPIXPASA-N 454.527 0.835 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)c1 1839451520 XQCAXTAOXXZVLW-QFIPXVFZSA-N 468.470 0.742 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn4c2OCCC4)CCO3)cc1 1839518486 PNSGNBFYTUBPKN-HSZRJFAPSA-N 451.483 0.921 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C2)C1 1839809734 JPGBPHNZZNLOHO-KOSHJBKYSA-N 468.558 0.357 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C1CC1 1840039744 GTBXRWPDDUFFJQ-SBUREZEXSA-N 479.530 0.224 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3c(O)nc4ccccc43)C2)C1 1840043252 NYTVUIHZXURDKL-HSZRJFAPSA-N 470.482 0.067 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044459 XZTNFZVTJQGRSU-IBLNIGRDSA-N 491.541 0.319 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CSC(c3nc4ccc(O)cc4s3)=N1)CCO2 1840201424 RWQPMMCYHOSDJK-OPAMFIHVSA-N 486.575 0.954 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840770934 SVMJLJZNQOLXNK-IQGLISFBSA-N 483.521 0.777 30 20 JCED C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc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c1cccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c1 502015686 IDCVVSDYEPNANL-PKOBYXMFSA-N 458.540 0.771 30 20 JCED Cn1c(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c(C#N)c(=O)n(C)c1=O 514322324 PHUCWVRKUZREBH-UHFFFAOYSA-N 458.327 0.773 30 20 JCED C=CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c(OC)c1 514357913 APYPXSUVWTXGTC-FQEVSTJZSA-N 468.620 0.273 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C1CCN(C)CC1 516832673 WXTRIQNZEPMLHT-UHFFFAOYSA-N 458.559 0.971 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(C(N)=O)cc1 523255736 DUFSGZJFUOMHAB-UHFFFAOYSA-N 476.514 0.754 30 20 JCED N#Cc1ccc(N2CCN(C(=O)CCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)nc1 604196064 FZTJOHKGNLVKLS-UHFFFAOYSA-N 496.593 0.915 30 20 JCED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609005072 JLJGTRBBEPMKEL-UHFFFAOYSA-N 486.554 0.936 30 20 JCED CS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 730724877 TZASXWOONLBFMY-GFDWPABASA-N 491.599 0.682 30 20 JCED N#Cc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 746553876 YNLWLNNODWOYDY-UHFFFAOYSA-N 470.507 0.823 30 20 JCED Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 748123520 OGNMUUUXWZUNMW-UHFFFAOYSA-N 498.561 0.981 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CCOC 763250284 LABDVFVOBHOVRL-UHFFFAOYSA-N 471.457 0.720 30 20 JCED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)C[C@@H](C)O1 915785279 YZFCHSOFCPMKRF-HZPDHXFCSA-N 486.554 0.918 30 20 JCED CCN1CCN(CCCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918270330 JNVQUDCTRIIHTL-QLYXXIJNSA-N 492.646 0.972 30 20 JCED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1156592235 RAAFDWLOZXAJNU-YWZLYKJASA-N 456.524 0.748 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](CNS(=O)(=O)C4CC4)C3)CC2)o1 1194882077 GLLPLMLVJCJGLY-INIZCTEOSA-N 450.565 0.297 30 20 JCED CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1299003666 WWIYUILUDPYWBF-FUHWJXTLSA-N 489.602 0.829 30 20 JCED CN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1554279242 PSJQPUKRAFAIEQ-UONOGXRCSA-N 450.487 0.793 30 20 JCED CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1554394745 JVLRTTCCUVPFMN-GOSISDBHSA-N 482.589 0.711 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1 1589404857 MTRZFVNAOLPMOM-GJZGRUSLSA-N 491.412 0.040 30 20 JCED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)s1 1612080829 WFEBMETZXQLDTI-HOCLYGCPSA-N 452.562 0.758 30 20 JCED CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)N2CCSCC2)CCOC1 1616213688 KNQMPZJAWVCCPB-OALUTQOASA-N 488.611 0.751 30 20 JCED CS(=O)(=O)NCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1620176180 MDKQZUGONWOBER-GOSISDBHSA-N 469.930 0.853 30 20 JCED CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1649669601 LWODUJNVJAKKEO-UHFFFAOYSA-N 450.503 0.920 30 20 JCED CC(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723722467 HHXDAURYPLDRPF-ZWKOTPCHSA-N 467.596 0.213 30 20 JCED COCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730633932 OPRVEJKGSVYRPM-VGSWGCGISA-N 454.535 0.610 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CCO1 1750025150 QPHJYSJBKJJFAU-UGKGYDQZSA-N 472.571 0.938 30 20 JCED CS(=O)(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1750214906 WQFKSYFYNCIYTD-QUCCMNQESA-N 490.586 0.910 30 20 JCED N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1750388190 LODGKHSZNDZBIC-IBGZPJMESA-N 471.543 0.900 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1768463991 ZQKNSYIJMJJOFU-LJQANCHMSA-N 467.530 0.645 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1=O 1769923672 STDOLGJJWFSIHY-QHCPKHFHSA-N 470.530 0.829 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)CC4)C2)C1 1778366069 HNOMNEZHNFKCFZ-HSZRJFAPSA-N 457.531 0.753 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSc1nc[nH]n1)C2 1779427835 BJBKEAXLDAZOPU-PJRXERGCSA-N 466.564 0.940 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780334491 LDJQQRWIMRVSIJ-MBSDFSHPSA-N 473.530 0.966 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780338098 YNUJDICZZHXLSJ-JTSKRJEESA-N 461.519 0.606 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1780753764 ZCMQSVFDSVUGJG-PMECCGAFSA-N 467.611 0.646 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783178328 MCOWYOKQNGRXCL-JTSKRJEESA-N 452.552 0.812 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565731 PQUJOURPBOFIKH-SBUREZEXSA-N 461.515 0.601 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1785596346 KEBGEENKXPRPGP-UOKFIYJESA-N 487.557 0.543 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C)[C@H]2C1 1786481976 NKWNCIHODJPDFS-SOWBTEIWSA-N 450.580 0.997 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3CS(C)(=O)=O)C[C@@H]21 1789890136 GFMINOGYHFHEPS-QRFRQXIXSA-N 493.582 0.729 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790655161 QXJZEPPEMGUHGS-CVYDXHPNSA-N 463.491 0.537 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN(Cc4ccccc4)C3)C[C@@H]21 1791072662 RJTKBFNNPGKVOE-MLNNCEHLSA-N 453.539 0.966 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21)NC(=O)OC(C)(C)C 1792110404 XAHKILFSUAKAJM-PJVZLEMVSA-N 496.605 0.888 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1792257746 KYGLLXOSKXEOIM-TUFLPTIASA-N 491.633 0.130 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1792268147 YTZNDBVCVHFBEX-DAWKRRPCSA-N 464.563 0.524 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1792449645 MHYHDDGIMDPPNU-DAUOMPHXSA-N 479.574 0.232 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)C2 1792491510 ZTWSVSMJHMNVSM-PHAMPZESSA-N 454.527 0.253 30 20 JCED COc1cc(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(C#N)c[nH]3)C4)CC2)ncn1 1793133903 FWQDVNZPWVUVHF-OPMZPASUSA-N 479.541 0.805 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O)c1ccc(O)cc1 1793166421 MFSJZWAQARHNMI-CROMWVBPSA-N 455.511 0.931 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)c1ccccc1F)C2 1793344571 CYLIWEIXEIDZCT-ABRPMZAKSA-N 459.518 0.805 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)c1 1795732685 LCLAQDKXHDAAGI-PJKMLTEKSA-N 461.482 0.562 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795859488 GARCAFNPCBNHHX-RCLSDMTESA-N 483.529 0.134 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1nc2c(=O)[nH]c3ccccc3n2n1 1797103332 DUBUNZGHFKNIAQ-YVNXZYICSA-N 492.540 0.246 30 20 JCED Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)c2ccccc21 1797172949 OOSLAPVWJLCCOY-HBNMSFMJSA-N 489.532 0.880 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1797584278 KDVGBTRFJXBHLW-ZDFLXESQSA-N 450.879 0.479 30 20 JCED CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/N3CCCCC3)cc2C1 1797744104 MMSJLUMXGXLRCB-XNHQWUFLSA-N 457.579 0.394 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1801989110 ABFUSXRCRZDBNQ-MRSFGVLCSA-N 460.494 0.972 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)CC1 1808268450 YASUFRBCIZZOEK-UFYCRDLUSA-N 499.616 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1808451109 ZEPIYOSREWWTLL-ILZDJORESA-N 462.503 0.661 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)NC(=O)c2cnccn2)[C@H]1c1cccnc1 1810437487 UVMOYYGZHGNSMA-GMLUQMLDSA-N 464.526 0.734 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)CC1 1810783512 KCPBTMADXLMAPL-ZEVQVBBLSA-N 478.590 0.962 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cccc(N3CCOCC3)n2)[C@H]1c1cccnc1 1812878491 XZCDFZJRKMTBQK-JPYJTQIMSA-N 463.494 0.721 30 20 JCED CN(CC(=O)N[C@H]1CCc2nc(NC(=O)c3n[nH]c4ccc(C#N)cc34)sc2C1)C(=O)C(=O)O 1823893363 WKQAQVQHOUFKHL-NSHDSACASA-N 481.494 0.660 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975140 PEGJRUIBTLUWHB-PESPDQJRSA-N 481.663 0.808 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCN2C(=O)OCc1ccccc1 1828562599 IGELVVMRTQLGPR-HSZRJFAPSA-N 469.498 0.804 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cnc(O)nc3O)C2)C1 1828806477 UULATSGKEHVTNH-HSZRJFAPSA-N 480.481 0.867 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990868 XRDVBNRYFJFFIH-CEXJFXJFSA-N 491.614 0.350 30 20 JCED CN1CCC[C@H](C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1829201664 SQOAXSKAUWZJBC-HFZDXXHNSA-N 496.564 0.868 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829373792 QRVCPIBCHVCJTJ-DFBJGRDBSA-N 496.520 0.053 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(C)(C)C)n3)C2)C1 1829764758 UXTGDQJLLMKYOV-KSEXMQBYSA-N 459.547 0.567 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cc3O)C2)C1 1829769195 NHSLTHWZKAEXBG-FUMRIQNTSA-N 459.499 0.329 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCCNC(=O)OC(C)(C)C)C2)C1 1829777416 YWLRAXOSTKSVMY-HMLKYZKVSA-N 494.589 0.606 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829903942 GDOOIZUKJGDCGL-MHECFPHRSA-N 464.526 0.848 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c(O)n1 1829947980 DOYXUOQZONSKEV-XDHUDOTRSA-N 472.542 0.502 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)C(=O)O 1830458375 BAPUWTCNSABDGC-WMZHIEFXSA-N 458.515 0.010 30 20 JCED O=C1NCCn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)C#Cc5ccc(Cl)cc5)CCO4)C3)cc21 1830467047 QZDAIXRXWWJOLU-DEOSSOPVSA-N 497.939 0.402 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1830643181 ZFYCEZAXTWEMJO-DEOSSOPVSA-N 471.558 0.855 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)C1 1831396305 DJKWMWIGBSDZRR-PNCHPQGNSA-N 467.563 0.737 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](S)C(C)C)CCO4)c(C)n2n1 1831491060 UJFJTPWFSPSYBG-WIYYLYMNSA-N 462.576 0.766 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)cc1 1832721422 AGERABSYMJQZCY-VWLOTQADSA-N 477.521 0.382 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832729858 OINDJDADQMXDDJ-HTAPYJJXSA-N 461.519 0.069 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565338 GQNBOJZSDFKRIU-CVDCTZTESA-N 495.598 0.269 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 1833771105 UMCBNNGLDHMBAM-UHFFFAOYSA-N 483.617 0.665 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2)c1ccc(O)cc1 1833885845 XVHNGALLGMSGKN-DVECYGJZSA-N 467.526 0.788 30 20 JCED COc1ccc(C(=O)CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1834863262 VVFKCCVZHYTBTN-HSZRJFAPSA-N 458.467 0.203 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)Cc3cscn3)CC2)CC1 1835048972 JMWHMCJQIXOQBC-FQEVSTJZSA-N 475.663 0.866 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2 1835256162 AAVRLUXEFHMQCZ-HXUWFJFHSA-N 458.653 0.539 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)N(C(=O)OC(C)(C)C)C1 1835312003 IQBBPRPBBWDEEC-NXMSCROESA-N 492.573 0.287 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835690632 SZNPEHGWNPHGNT-MHPMKTAKSA-N 475.546 0.867 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1)[C@H](O)N1CCOCC1 1835762030 CBJLBXWABKUCSN-VWLOTQADSA-N 454.571 0.260 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835765473 KNKSHZFHUBOOKX-GOMWODOQSA-N 451.568 0.599 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837244161 PIOLKENSIOFKAE-KATKFWMUSA-N 473.555 0.663 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1837490662 KNZZSLPVFRIAIO-AOYPEHQESA-N 497.548 0.876 30 20 JCED COc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cc1F 1837524145 AOVLNEXCJWRTCJ-IQCWKEAXSA-N 480.493 0.828 30 20 JCED Cc1nnc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)s1 1837524177 BELAQPBRHRBMCJ-HFSPCEDCSA-N 481.575 0.765 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1837563064 IYFMICZUYDHPTN-HPARJBSBSA-N 457.487 0.448 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837630039 ZHVGVCDYZMPJLC-DEOSSOPVSA-N 470.526 0.175 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838501541 KJULLHIIYVPBOP-MHECFPHRSA-N 467.526 0.928 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839048211 PREGFMKOQIFETL-HSZRJFAPSA-N 469.546 0.010 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839133265 IMZWWRDMFUVBFK-DHLKQENFSA-N 486.569 0.871 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CCOC1 1839191337 FPYXVWVDVSNLAN-BJKOFHAPSA-N 477.558 0.540 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839577315 QDQBPYCUPCHOIP-QRQCRPRQSA-N 474.539 0.234 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839579211 ZAZCVHHQXBNFCM-BLVKFPJESA-N 452.558 0.514 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839705536 JSZMPDVLXXDFLF-IUKKYPGJSA-N 492.577 0.765 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839772592 FEOLMQJISXJFJH-XMSQKQJNSA-N 450.532 0.414 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1839882088 UDUKNIMAOPIIFO-LHRYSNJFSA-N 494.589 0.437 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839988449 QIIIKIXMVPGBNU-JOCHJYFZSA-N 469.535 0.477 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(Br)c1 1840040098 NTYNPFIHMXCZPH-OAQYLSRUSA-N 495.326 0.545 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOCCOC)C2)C1 1840294922 UHSMOAMDTSSBNP-RUZDIDTESA-N 498.617 0.723 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCn2ccnn2)CCO3)cc1 1840444704 DBISAAQERVIIQB-QHCPKHFHSA-N 452.515 0.629 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)c1 1840716111 DVWDJRCJCRUSTC-DRSNIGMVSA-N 453.503 0.631 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1840959220 BAESQVGFBJKECQ-VGSWGCGISA-N 453.536 0.655 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1845209706 FFCQMEMJRFYOGG-GOSISDBHSA-N 483.525 0.613 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)C2)CC1 1845581755 BWVOTIFPAXZIIZ-UHFFFAOYSA-N 470.555 0.923 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC(=O)NC2=O)N(C(=O)OC(C)(C)C)C1 1848071149 NYXRDRZCVBTREU-JYJNAYRXSA-N 461.519 0.306 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)c1=O 502819889 OQOMZADIAUTHTL-UHFFFAOYSA-N 488.570 0.781 30 20 JCED C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)c1ccc(C#N)cc1 505357616 MRXMYWZGFNYUPR-OAHLLOKOSA-N 477.568 0.983 30 20 JCED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 518154744 FDRSGCCLOUUANB-INIZCTEOSA-N 481.600 0.598 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(C(N)=O)cc1 522537137 WTIKFINZMKOJLI-UHFFFAOYSA-N 493.501 0.172 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cccc(OC)c3)c2=O)cn1 523576977 MUOUDCLKCDVFAS-UHFFFAOYSA-N 467.551 0.780 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2Cl)c1=O 524281452 YCACFWLKTOJQFB-UHFFFAOYSA-N 480.999 0.238 30 20 JCED CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NCCCOC)n(CC(N)=O)c1=O 524282953 VELYJRHCSILLDV-UHFFFAOYSA-N 468.535 0.359 30 20 JCED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 590908928 UTPATZBAEHJVTD-AWEZNQCLSA-N 475.567 1.000 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 603846494 DJDZHHWXRKRMCE-QWFCFKBJSA-N 452.577 0.464 30 20 JCED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)c2ccco2)CC1 821708264 GBILFBOPFUBOQE-AWEZNQCLSA-N 474.495 0.234 30 20 JCED Cn1c(=O)c2ccc(C(=O)OCC(=O)NCC#Cc3cccc(C(F)(F)F)c3)nc2n(C)c1=O 913375473 SPVMCBJYOWTTQX-UHFFFAOYSA-N 474.395 0.976 30 20 JCED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)C[C@@H](C)O1 915778037 TZKJOLVRYHMAJN-HZPDHXFCSA-N 486.554 0.918 30 20 JCED Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 917027661 LRAXHVZLGRVWRZ-KRWDZBQOSA-N 495.631 0.637 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCOC)c2=O)c1 917769090 RXRGAYGYHQMYSW-UHFFFAOYSA-N 470.595 0.622 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCOC 920395384 PLEJOLPEVFYMHP-UHFFFAOYSA-N 488.522 0.655 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1296120768 KTKHAQAGCAWRFA-IAGOWNOFSA-N 452.629 0.654 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOC(C)(C)C1 1301044915 NSVHWPZOXHCACO-MRXNPFEDSA-N 477.031 0.911 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1315068793 ZJOMSLKYLBDFOI-MRXNPFEDSA-N 486.602 0.155 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCOCC2)CC1 1360791501 YYHBOHVBHQSNOR-INIZCTEOSA-N 468.580 0.283 30 20 JCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1503368177 UVTHMGZVGPHPQD-UHFFFAOYSA-N 468.562 0.417 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NCC)CC1 1539803697 LQXOGTPNFRUHEN-CQSZACIVSA-N 461.976 0.215 30 20 JCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1554483334 XGMCSLMVIWQTKB-MRXNPFEDSA-N 450.547 0.742 30 20 JCED CN(C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617683441 MYIBNEWAHDIEQW-MOPGFXCFSA-N 494.666 0.375 30 20 JCED Cc1sc(NC(=O)CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C 1642102516 SDZCZOKZSVTTNJ-HNNXBMFYSA-N 453.590 0.096 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CCO1 1750026486 WBDULTHZHYNHHV-HXUWFJFHSA-N 467.530 0.596 30 20 JCED CC1CCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1752264936 WNZZNODGEGKSLI-ROUUACIJSA-N 467.596 0.072 30 20 JCED CCN(CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1765015898 UAVCYQUDBXKRSY-VQTJNVASSA-N 494.666 0.519 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CCO1 1769260006 VUGAZPIIIVRZFC-FQEVSTJZSA-N 483.573 0.791 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777715947 CDJDPIUZYZEZBO-GSHUGGBRSA-N 480.587 0.539 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777778469 AVPNGEIXUHGSII-QJKPHDSHSA-N 453.503 0.043 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)C1=O 1779103357 UGCLMSAXSMTXLI-VVQFEGEESA-N 470.482 0.794 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1779104513 ARGDRNPDFFZJLA-VPNDOYJZSA-N 450.414 0.024 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2cnccn2)C1 1779471171 RNDZYORFBGDNMH-UVELEOGVSA-N 457.531 0.147 30 20 JCED Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)c(=O)nc1O 1781301686 AALZAOKFLBAZKN-HSZRJFAPSA-N 469.473 0.341 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781354546 WMOMWYDEJMYWTR-JRRNWLSQSA-N 498.577 0.621 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cc5n(n4)CCCNC5=O)CCO3)C2)c1 1781964281 WYRZFAMREWNPKI-QHCPKHFHSA-N 466.473 0.785 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)cc2C1 1782561293 OJWQLDDSMIBQIN-BVONVKGESA-N 474.562 0.691 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@]3(C1)CN(C(=O)[C@@H](C)S)CCO3)C2 1782856284 PKLFWSSWOKAWBJ-WIEQDCTASA-N 450.561 0.770 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783440838 UNWUVLIVDWNDFS-MZNJEOGPSA-N 475.542 0.942 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)c1ccc(O)cc1 1784015703 DFYGMBUORYYIHY-NTKDMRAZSA-N 456.543 0.990 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)C1 1784389690 KGCDKDRYUHOLIK-GSRZOBFVSA-N 461.559 0.751 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1784445304 HHEMYIUWSWCRPF-UJNZZBMASA-N 466.535 0.618 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)NC(=O)OC(C)(C)C 1785304556 IWIYQYVRPYQRBU-HTAPYJJXSA-N 462.551 0.968 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)n4cnnn4)C[C@@H]32)c(O)n1 1785774690 XPRVVAGOSAWBBV-LNMJFAINSA-N 455.519 0.747 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)[C@H]2C1 1788078082 UYFZODSSMRPISY-FPXQBCRKSA-N 478.509 0.202 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nccnc4C(N)=O)[C@H]3C2)c1 1789093340 POYIZNQOZUBBLB-WBAXXEDZSA-N 464.482 0.363 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789841390 JKIZRWYIIIRKPP-VDGAXYAQSA-N 473.599 0.573 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21 1789891723 PGAMLJZZZNFJRK-VCOUNFBDSA-N 470.570 0.873 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1 1789972137 UOYQOKYGAPAGMT-HAGHYFMRSA-N 488.589 0.955 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(N)=O)[C@H]3C2)CC1 1790853199 HCIMVERGXZVBAC-BZSNNMDCSA-N 491.589 0.772 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1792129198 UCMMPDQGJBMSSO-XSLAGTTESA-N 470.636 0.837 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)C2 1792491215 BVFZNPWVHMDMTE-UGWWGFDHSA-N 496.630 0.691 30 20 JCED NC(=O)c1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792837207 RLLCCKGIXJVAEC-JLVBRIDZSA-N 453.886 0.484 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O)NC(=O)OC(C)(C)C 1793436028 MFPFQVKQULYCKM-GFAJBQDWSA-N 466.579 0.947 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)OC 1795130642 KCTUTEXCOVZYST-RCJHGTSTSA-N 453.536 0.999 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599539 SGOVGUAHJGJFRV-BOLBYERCSA-N 473.549 0.815 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796299809 DJWJTZSUHHNJBK-QEOTZNIISA-N 455.552 0.035 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744004 YEZKFTHTTPPVNB-WTTYXFFKSA-N 487.576 0.934 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1nc(O)n2c1CCCC2 1797985339 GEQJTLOHGJTPND-XEMDLRDOSA-N 456.543 0.827 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]1[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C#CC(=O)O)C3)C2 1799158136 YDBFBPIZMTVYAG-IGYPPAOUSA-N 475.542 0.700 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(-n2cncn2)c1 1799775297 PLHITZPXTVKNPL-RMFSNUHRSA-N 453.499 0.980 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1800992267 CCMUINNMHIEFBB-XQPJFTJZSA-N 463.575 0.997 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2)NC(=O)OC(C)(C)C 1801928046 GOVVDNIRGTYZCY-YGTYGHESSA-N 491.545 0.951 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]2c2cccnc2)c1 1807193214 CTVZKVYFGLMHON-AGHHOFFYSA-N 464.526 0.874 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCN2CCOC2=O)[C@@H]1c1cccnc1 1809526682 RQTXXBWOOZTSPW-VPVLLMPFSA-N 455.515 0.788 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812721002 VICHEOLROCNTNH-SQJMNOBHSA-N 481.553 0.325 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(N3C(=O)C=CC3=O)cc2)[C@@H]1c1cccnc1 1813973467 LYLLNAXSMKHXQG-KOSHJBKYSA-N 472.457 0.919 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)c1 1821385879 YCLCCEJRPNNPBI-UKRRQHHQSA-N 456.528 0.842 30 20 JCED Cn1c(=O)n(CC(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c2ccccc21 1825667885 SCTCMXAQBRVTDZ-GFCCVEGCSA-N 453.480 0.497 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)C1CC1)CCN2C(=O)OCc1ccccc1 1828546923 DYSBCPKACGDKHS-DEOSSOPVSA-N 467.478 0.506 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1829267109 RJCQMSQOWLRUAM-CVDCTZTESA-N 472.498 0.136 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCCC3)C2)C1 1829330948 UXAMVLUFQAFFHQ-VWLOTQADSA-N 482.537 0.622 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1829768885 KLBACGUGKUFWOS-XLQQFJOYSA-N 486.525 0.187 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(OC)OC)CCO2)c1ccc(O)cc1 1831041023 JBBQBJIYXCHLIQ-YADARESESA-N 460.527 0.965 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831316860 GBNKDOTYSLHQKI-MBSDFSHPSA-N 492.598 0.275 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1831431249 CQUMVDSYOHESIF-VFNWGFHPSA-N 462.528 0.417 30 20 JCED C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1)C(F)(F)F 1832149576 AFSPVNPIDUHVNS-CHWSQXEVSA-N 484.321 0.111 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1833470210 JOBCOVYPFTYWKE-FQEVSTJZSA-N 454.568 0.605 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)CC2)CC1 1833776137 MAQBBCSGUOYCKK-QGZVFWFLSA-N 486.594 0.756 30 20 JCED CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)c2C1 1834759715 ASAHHRVPEDLOON-JOCHJYFZSA-N 474.518 0.644 30 20 JCED COc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)ccc1[N+](=O)[O-] 1835346016 NMUZYSUNJJJBNJ-JOCHJYFZSA-N 458.471 0.906 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1835677166 KICYRTKUQFFEME-DEOSSOPVSA-N 466.542 0.982 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1835682945 ZCMBMUBOHATSHT-QHCPKHFHSA-N 454.531 0.686 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)o1 1836025600 OHPCTAOSZCZIDK-JOCHJYFZSA-N 457.462 0.630 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1836472677 UALCIFXJQKQTAW-CKJXQJPGSA-N 475.608 0.283 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)ncc1[N+](=O)[O-] 1836552573 OLMCOHFWNPSJFU-LVJFVWMNSA-N 491.501 0.897 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)nc1 1837314757 MAIBAFPQELLTMG-UHFFFAOYSA-N 463.512 0.185 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837380173 HVJDZQWERSXKTL-BXKMTCNYSA-N 487.557 0.273 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1837401132 URBLMMSKMCTWMT-HYBUGGRVSA-N 469.542 0.910 30 20 JCED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488910 VACUXEQNLNUGCI-GBXCKJPGSA-N 458.559 0.674 30 20 JCED Cc1cnc2c(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)cnn2c1 1837529400 SRNJFVQMJIFMHB-ZVHBRLOBSA-N 486.529 0.637 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)no1 1837549417 VENKJVFDUCHXHI-QHCPKHFHSA-N 467.482 0.355 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1837665465 SALPUPLRQHLFJM-DEOSSOPVSA-N 464.607 0.599 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2)C1 1837702390 ACTFIALSWZLWER-GGUMNFRJSA-N 494.589 0.603 30 20 JCED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)N4CCOCC4)CC3)CC2)cc1 1838402325 ZBZPQSWUKRFTNK-XMMPIXPASA-N 456.543 0.821 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838414488 FFXCFCACCJHOLH-OXJNMPFZSA-N 466.585 0.780 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1838435407 SYSXGBLXRPHQLL-UZLBHIALSA-N 454.568 0.937 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c(OC)c1)CCO2 1838974679 XFSTZDIUUSLOMC-HSZRJFAPSA-N 462.499 0.980 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1839108266 DYZAGCJPEQLDIP-FVJVTNMWSA-N 497.589 0.262 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN)C2)C1 1839130838 WUSUMDMDUZYEQR-JTSKRJEESA-N 452.552 0.098 30 20 JCED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(OC)cc4C#N)CCO3)C2)CC1 1839132234 AHKNFHJGKWONJO-HSZRJFAPSA-N 471.510 0.519 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)nn1C 1839185912 QGUTVICFYOMROX-XMMPIXPASA-N 469.517 0.981 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)ccc1F 1839186171 FAPBAFUZOCCJPL-HSZRJFAPSA-N 458.490 0.319 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3(Br)CC3)CCO2)C1 1839207658 VOWHUFWZKNDDPX-GOSISDBHSA-N 457.369 0.652 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)CCO2 1839293550 PRVWRGFWUVIJOH-LJQANCHMSA-N 496.270 0.515 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c1 1839454196 ZUXKPKRVFHHXGI-JOCHJYFZSA-N 488.591 0.797 30 20 JCED COc1cc2c(O)cccc2cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839563040 LQGJMPIAWBBPCR-XMMPIXPASA-N 468.462 0.712 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251452 FKKFUPNKOJWXQE-YDLHNXBPSA-N 479.574 0.779 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1)n1cnnn1 1840474575 XBXDASRQMVUTNK-IIBYNOLFSA-N 458.906 0.396 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(F)ccc1F)CCO2 1840809455 YYGKZWRIVISGSS-UZQCKINESA-N 463.481 0.822 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840820586 YNHORFNHXGTRNK-OAQYLSRUSA-N 463.512 0.211 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)cn3)C2)C1 1840907191 PZIUSQOWNAYBAD-MHECFPHRSA-N 487.557 0.772 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1840907261 SMOIEFXZZIBOOE-SBUREZEXSA-N 465.547 0.396 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1840913969 RRIUABKBDNGJLS-XNDUBXFTSA-N 494.589 0.437 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1841052916 DMNKJMAFNSXCNK-QWPQOLDESA-N 462.547 0.684 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1841054487 HIYFOMUWTSMAHJ-JKCVZHOFSA-N 476.574 0.666 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1841055853 ZMFKZWOHDAMZRF-HLRDLLSLSA-N 478.546 0.505 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)CCc3cccc(C#N)c3)C2)n(C)c1=O 1841258453 OHPXPVJNOVIEQU-UHFFFAOYSA-N 489.536 0.142 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1841604275 JABLHZTURTVSEG-KRWDZBQOSA-N 462.547 0.307 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CC4(CCCN4C(=O)C/N=C/c4ccco4)C3)csc2n(C)c1=O 1844314934 NIXWEDKCFBHBLT-YSURURNPSA-N 483.550 0.757 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 24947988 FZQRVVIWGNVUMS-KRWDZBQOSA-N 454.508 0.522 30 20 JCED C=CCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H](C)c1cccc(-n2cnnn2)c1 518232169 RGOSRJIMOPFVAX-HNNXBMFYSA-N 463.502 0.575 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(N)=O 524281138 IHGYYKYLQGPVGS-UHFFFAOYSA-N 467.334 0.064 30 20 JCED CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(N)=O)c1=O 524282620 AAFNBVPYTKJFOR-UHFFFAOYSA-N 450.520 0.829 30 20 JCED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3csc(C)n3)c2=O)c1 603495541 NMBZHZWIABWWST-UHFFFAOYSA-N 495.586 0.984 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(=O)N(C)C 604270092 DYCUZVXFOIHOOC-UHFFFAOYSA-N 483.413 0.850 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 619584860 RHHYKWJGROJLLU-UHFFFAOYSA-N 480.524 0.202 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccco3)c2=O)c1 726582112 SXISAJOSTAUYHA-UHFFFAOYSA-N 474.542 0.425 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N(C)CCC#N 729481683 HLTRGFYKNVWADI-CQSZACIVSA-N 467.504 0.777 30 20 JCED C=CCn1c(=C(C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)sc(=Cc2ccnn2C)c1=O 914565077 RWGAFVKOIDVJCA-UHFFFAOYSA-N 476.562 0.808 30 20 JCED CN1CCN(C(=O)CCNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 916710567 LLGFEABORZPCSZ-NKFKGCMQSA-N 450.565 0.785 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)C[C@@H](C)O1 918436009 QGXDPMSRJMQUIZ-IYBDPMFKSA-N 465.532 0.026 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)CCc3ccc(OC)cc3)CC2)c1=O 921057210 SUYCMHSEQHQAPD-UHFFFAOYSA-N 469.542 0.287 30 20 JCED CN(C)C(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617596955 ZSVHQVUDUJWOLH-UHFFFAOYSA-N 474.529 0.997 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1692786534 VHGGNPZUBKUSSR-BBRMVZONSA-N 462.573 0.688 30 20 JCED CC(C)NS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723662186 IVNHAGTWVGSGBD-IBGZPJMESA-N 458.592 0.768 30 20 JCED CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1745879072 NFBKLGUPBHNIBB-UHFFFAOYSA-N 469.550 0.958 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CCO1 1748211057 XYBVHNUASIEMCC-LJQANCHMSA-N 453.547 0.879 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCOc2ncccc2F)C1 1770350068 UKNNYKYFLRRKKD-QGZVFWFLSA-N 479.538 0.964 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778089771 CXVOYUMILFKWSQ-NJNPRVFISA-N 471.620 0.499 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1778957961 NLNPFRAWKRMXFP-PEBXRYMYSA-N 453.503 0.586 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1778973848 NTDHOVRHGDZWSP-AIYYMTJKSA-N 481.590 0.760 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1779066089 AIHNNOWONBDFTP-HSZRJFAPSA-N 470.551 0.898 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779106130 XIDGTNXBDSIXSR-LQKPZPLWSA-N 484.550 0.231 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1779138738 GNABWFFTHCCATG-FFCJBUTOSA-N 455.496 0.912 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1779395365 XNBURDSXIKRADF-VGOFRKELSA-N 458.515 0.714 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780203672 NSASISDUSRQYJK-OYHNWAKOSA-N 472.502 0.923 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1781169457 QYZGXKPOQFAVRS-IXFSTUDKSA-N 464.563 0.648 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)ccn2C)CCO3)c(C#N)c1 1781173281 AUGBUQJHROGTMQ-DEOSSOPVSA-N 450.495 0.952 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1781271264 HUYISYRNHVFKTD-KJOQGJGQSA-N 485.581 0.961 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]cnc3-c3cccnc3)C[C@@H]21 1783531596 LIHJFTWZNLAXTC-CXLTZZKYSA-N 464.526 0.923 30 20 JCED Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557123 HKBWSQMFLFGYNT-JOCHJYFZSA-N 460.487 0.904 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783779951 OPFHFQQQLGGJKW-GZWGPKMKSA-N 486.635 0.930 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCS(=O)(=O)CC4)[C@H]3C2)c1 1785036437 KMDVCKLFMYFHFK-MNAPGUCWSA-N 488.610 0.637 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785224010 XLAZKNFGKJFGER-BXKMTCNYSA-N 451.479 0.598 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1785381730 CSDOQWOCLCSIRE-IBGZPJMESA-N 454.405 0.445 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N(C)C(C)=O)CCO2 1785574827 TZBAHRGFJTXMJB-WLENULPWSA-N 464.563 0.600 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4cc(C)ccn4c3=O)[C@H]2C1 1788037969 QRHHTZJDVQXTGI-SJXIWSJKSA-N 479.537 0.455 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1790586358 LPXDFVZIOJQDBV-XWUOBKMESA-N 482.581 0.878 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C[C@@H]21 1791078882 DXOCADYAFRLYTD-UMGGQSCQSA-N 496.568 0.335 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21)c1ccc(O)cc1 1791331279 QOUIVUFKGFHVSR-QIJZPMMNSA-N 482.537 0.421 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)c3ccccn3)C[C@@H]21 1792257834 NDAZDRRSPDBYGA-WJRACZLCSA-N 485.585 0.978 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3noc(C)n3)C[C@@H]21 1792262068 YEBJYXKZIYZGCQ-FJIDUMEYSA-N 475.546 0.817 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1792780249 MWFRFONADWITHY-LFZDHENXSA-N 454.527 0.449 30 20 JCED COc1ccc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c(OC)c1OC 1793091160 ZOQMBDOJJFUJPG-GSNLVNFQSA-N 458.467 0.403 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1793346026 XHAGDCXBJKVEDG-BMFAXAFESA-N 453.536 0.156 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2OC)c(C#N)c1 1794373431 RUFSAYKTOXSTGS-XEMDLRDOSA-N 451.483 0.811 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795416795 QIYRCFDOUIOWQV-MQOOWTBDSA-N 450.536 0.904 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1797743604 FUBIWZANKGUVHK-HWALZHESSA-N 458.515 0.878 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC)c1ccc(O)cc1 1797760107 XLBUHJYHCNEWKG-XWQURZDVSA-N 472.611 0.963 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CSCSC1 1797840615 SJKNHOGGPNLCHR-ZVRDBITFSA-N 454.618 0.477 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)NC)C2 1799233072 HFKPRWXFZDIRSC-AXVVYFOYSA-N 464.563 0.409 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799323121 SYAPNTXIDDYTRH-PJKMLTEKSA-N 466.535 0.157 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)CCOC1 1799332135 RHWKYEKCUAAOST-BMCPXHGSSA-N 462.547 0.954 30 20 JCED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)C3)cc1 1799641146 PILUFJBZRAIJOZ-DCXXXQMHSA-N 477.521 0.962 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2)C(F)(F)F 1800547930 QYNIHRWURBRSRP-FWEDZOCSSA-N 469.460 0.874 30 20 JCED C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C)C2 1800754648 SYOIHXSUZBWPIK-CMWLGVBASA-N 486.569 0.964 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCS(C)(=O)=O)C3)N(C(=O)OC(C)(C)C)C1 1801103420 NCESLXPBZXTKCD-ZMMAXQRCSA-N 485.603 0.576 30 20 JCED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801444164 GHWQYJBBUKZEJJ-XCDZQEORSA-N 478.615 0.788 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1cccn1C)C2 1802126676 MLPMFZVQWDAOFQ-SFNKJDCFSA-N 472.542 0.714 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@H]1c1cccnc1 1803552667 ICFKAFKASUWXKK-SAIGTISXSA-N 466.542 0.596 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1803564891 KYCCOMMSBZVJAX-MDYRTPRTSA-N 452.515 0.932 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1803565804 AYRJDDVOKALTMO-AAIMPIBUSA-N 457.575 0.843 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CNC(=O)c2cccnc2)[C@@H]1c1cccnc1 1804364484 BYLONDXPQCVGTA-RHPOUKCLSA-N 476.537 0.771 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1807151751 YDPFJHVFJRFQSX-UTKZUKDTSA-N 467.530 0.944 30 20 JCED Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2c2cccnc2)c(=O)nc1O 1814039242 BUAWPWOBSCPBSK-YLJYHZDGSA-N 461.482 0.872 30 20 JCED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC3)ccc1F 1822960864 KYWLTHDXXVMDKK-DOMZBBRYSA-N 470.486 0.907 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCN2C(=O)OCc1ccccc1 1828969743 MSTMZVJCMAUXPK-TXBYWVTISA-N 491.614 0.350 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCN2C(=O)OCc1ccccc1 1829113491 KOUHRWJFGVPRLP-XXBNENTESA-N 472.498 0.136 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1829266753 CPPOVUYJQRCEJV-NRFANRHFSA-N 480.443 0.750 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)Nc4ccccc4)CC3)C2)C1 1829762300 CQDPDJSQJOBQLO-KWQGRVAKSA-N 496.564 0.720 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1829845686 GKGLUFQEPRUAHE-RTFZILSDSA-N 478.546 0.240 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1Cl 1829955996 DDKVTLUUVWIXPE-AOMKIAJQSA-N 460.918 0.808 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)C(C)(C)O 1830063554 SSKQAVPIUZFHAD-WAIKUNEKSA-N 482.578 0.657 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C)C2)C1 1831391434 BCFZGPWEHHSGMO-GBWYYYKWSA-N 493.601 0.984 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)C2)C1 1831402329 VCWUTCSYBBBIJA-QIMADWELSA-N 491.585 0.881 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1831420188 UIXQNXDFISPKGG-BLLLJJGKSA-N 456.389 0.389 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)c1 1832250696 FTLYZBSHMDPLBJ-INIZCTEOSA-N 462.356 0.312 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1832456491 RIWGEFUNGKLLLR-HSZRJFAPSA-N 472.567 0.992 30 20 JCED CC(C)c1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)no1 1832789058 OFDZVDHRRMVVDC-JBMWNJKUSA-N 459.503 0.904 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)CNC(C)=O)CC2)CC1 1833074279 FSXHINPMKIYYBF-SREVYHEPSA-N 461.607 0.579 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1833608567 MDSRADLEHNDLQJ-JPYJTQIMSA-N 478.546 0.805 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3conc3C)CCO2)C1 1834341560 PWZBGQJVAPDCKG-FDDCHVKYSA-N 476.530 0.970 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834391972 ZQNSQSKFKWQWCE-UZUQRXQVSA-N 477.562 0.960 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)OC)CCO3)C2)c(O)n1 1834850289 HLHJTPPLVHPRNV-HSZRJFAPSA-N 461.515 0.929 30 20 JCED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835513343 WJWQAIARXNXGSY-UHFFFAOYSA-N 469.577 0.934 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835657307 KJLZOZAARNXWME-NRFANRHFSA-N 461.544 0.410 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1835755865 QXRXVADHTVZHDX-PWYGXMRTSA-N 490.557 0.765 30 20 JCED CC(C)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(C)C 1835897845 HFTGGYYFILLEJF-YPXAATRASA-N 468.595 0.994 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccc1C=O)CCO2 1835958237 LYSJUJXLUZRAOX-WZONZLPQSA-N 461.515 0.827 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836374357 WUWTZWKRXGYRPO-KNQAVFIVSA-N 463.667 0.767 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836888636 DFTZLUKUINCKOW-XOBIUNJKSA-N 455.519 0.271 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837211427 MVIDMYZKTJWLOT-GCJKJVERSA-N 460.487 0.001 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1837302617 BJQUJTHWGFACLT-UEXGIBASSA-N 457.593 0.539 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1837393347 PLQQUPITNMMLIJ-SJCJKPOMSA-N 470.416 0.371 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1837402260 AGXTWFUSVORQSO-RDPSFJRHSA-N 469.542 0.910 30 20 JCED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1C 1837531625 RICRGQBRJSLIJN-MBIGCVILSA-N 463.535 0.582 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837690398 QGYKOCWDOYPNKB-UUOWRZLLSA-N 454.527 0.638 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c4ccc(OC)nc34)CCO2)C1 1838486104 JYRSTIZQDDWMBQ-WAIKUNEKSA-N 456.499 0.680 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838581844 SCTMAURQVCUDBS-PGRDOPGGSA-N 459.503 0.084 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccccc3Cl)[nH]n1)CCO2 1838717421 MGWQAEWQSLLPGJ-QFIPXVFZSA-N 472.885 0.888 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1839173241 GCXGLWIJGYKRRQ-QGZVFWFLSA-N 484.399 0.307 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839185157 PHSNJQBBIPMPIZ-AXHZCLLHSA-N 478.590 0.830 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839189515 QHYKPKWZAZQOEM-XMMPIXPASA-N 468.485 0.918 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1)c1ccccc1 1839237215 VOFPWHNIIQLMJE-XUZZJYLKSA-N 451.527 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839559260 XJBVQGRLTUBRNQ-IYZQMXKPSA-N 453.499 0.263 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839628447 FNWKSZSTCMXMKX-JOCHJYFZSA-N 455.519 0.310 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839654012 CEASZDKCBFFACE-YAQIIAKESA-N 480.612 0.427 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840042844 QIHUZKQKWMVXSW-GOTSBHOMSA-N 479.530 0.178 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C2)C1 1840158205 HMCPPGOEJNYXIX-HJPURHCSSA-N 490.557 0.819 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1)c1ccc(O)cc1 1840219361 KJLFTWKUAPSHQI-KHOMTPLRSA-N 471.554 0.857 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)CCO2)C1 1840344600 LBVDQGIBMXOQKV-ZWWNWMABSA-N 497.618 0.620 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(N5C(=O)C=CC5=O)cc4)CCO3)C2)CC1 1840771470 YZBKGWHBNFARPX-XMMPIXPASA-N 464.478 0.490 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)no3)C2)C1 1840906706 HPWUGOWRXWUPLX-NTKDMRAZSA-N 490.557 0.899 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](COC)NC(C)=O)C2 1841747432 RPFNYPKYEICRNZ-IAGOWNOFSA-N 452.552 0.810 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)c3ccc(C#N)cc3Cl)C2)n(C)c1=O 1845487465 YFUWGCLEVGOJMX-UHFFFAOYSA-N 495.927 0.476 30 20 JCED N#Cc1cnc2ccccc2c1N1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 500601167 MFEMUZBIPLSQJH-HXUWFJFHSA-N 482.610 0.560 30 20 JCED CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 517113450 CLFGQDWKUHPBHD-UHFFFAOYSA-N 499.549 0.497 30 20 JCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2)CC1 518600218 LJSYYLHNYFBOQI-UHFFFAOYSA-N 497.581 0.177 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1C 591000016 ASGSDZVBBBBPNR-UHFFFAOYSA-N 468.579 0.513 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 617482783 MOZDLLZFHIWLMH-UHFFFAOYSA-N 463.560 0.792 30 20 JCED N#CC(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577942 ZIJBZRYBGOCGNY-UHFFFAOYSA-N 458.471 0.910 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C)s3)c(=O)n2CCc2cccnc2)CC1 727814684 WFECDLNDDPXMPJ-UHFFFAOYSA-N 494.646 0.980 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CC1 728572966 GZJJJXATTKCKKM-UHFFFAOYSA-N 489.642 0.945 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)ccc1F 728888840 HDWVSYGVXLAANW-INIZCTEOSA-N 470.567 0.589 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCS(C)(=O)=O 729673022 BZVRHJMKNIYOHC-UHFFFAOYSA-N 484.603 0.922 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 744990343 FHNCZGXQCQXITF-UHFFFAOYSA-N 487.494 0.802 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCCc2ccccc2)cc1 747006570 GPDHROGQTAATKO-OOAXWGSJSA-N 485.566 0.913 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 915778013 SCQZIJMDIAGURX-UHFFFAOYSA-N 488.526 0.150 30 20 JCED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 917018351 LTZLXYDPPMFXQX-LJQANCHMSA-N 497.533 0.470 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 918263631 IFLQDNHIUZYGJZ-DIBXZPPDSA-N 469.527 0.933 30 20 JCED CN(C)C(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918299697 JEDDOABJRVQJPG-PTGBLXJZSA-N 463.560 0.765 30 20 JCED N#Cc1ccc(S(=O)(=O)NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(C(F)(F)F)c1 918536462 RQXGFTHCQJTOOC-LLVKDONJSA-N 492.457 0.547 30 20 JCED Cc1cc(S(=O)(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c(C)s1 921013193 MNBYOJRYCNSWHG-UHFFFAOYSA-N 482.609 0.937 30 20 JCED N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C2=O)cc1 1215469950 LCIHOKRAVYNDCF-IBGZPJMESA-N 451.487 0.931 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1360602892 QWHVVYNZMODLOX-MBOZVWFJSA-N 453.613 0.987 30 20 JCED COCCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1619922770 MQRFLUFBALORKE-BEFAXECRSA-N 450.569 0.910 30 20 JCED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CCO1 1621668601 XLFFWRKQWWEHAN-JSGCOSHPSA-N 458.338 0.964 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1697023830 WYBWNSRXQDEWSZ-UHFFFAOYSA-N 461.592 0.913 30 20 JCED CCN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1710142921 VUEHPZOHQLWTRR-APWZRJJASA-N 472.637 0.982 30 20 JCED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1730616082 ZGADEUWKEQPKIK-QGZVFWFLSA-N 450.521 0.130 30 20 JCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1741046264 ZOAUBMPIHXLDRZ-GOSISDBHSA-N 457.560 0.767 30 20 JCED CC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1743488700 XVBMKTSGXJKHLN-UTKZUKDTSA-N 459.576 0.934 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1749269064 MIOPQDVIENPFON-DLBZAZTESA-N 477.031 0.911 30 20 JCED Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N2CCSCC2)n1 1751623402 MTUMYPBXQZDVKV-MRXNPFEDSA-N 463.589 0.756 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)CCO2 1779014967 LPALRXFXIUOYJV-XOTBCMANSA-N 495.580 0.903 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1779099834 NNUIXVGKPLNFAL-UYOUYQAUSA-N 469.388 0.701 30 20 JCED Cn1c(=O)n(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c2ccccc21 1779100839 FBIZAFLSTPNJGS-KOPXRMFVSA-N 485.541 0.699 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779103179 NYZSTJORELLZSR-ODMQBNIASA-N 475.546 0.646 30 20 JCED O=C(/C=C/C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)NCc1ccco1 1779208934 TXFNOSQVFKEMBY-UJHXFOOSSA-N 474.514 0.811 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C/N=C/c3ccco3)C2)c(=O)nc1O 1779446359 HHQQLBDWDJKRLI-KKFQSSSBSA-N 471.514 0.483 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1781251805 ISRRWYKEUSAFRF-YVHKJVDXSA-N 452.552 0.810 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1781290168 FTSONWLEYJFGES-QVKFZJNVSA-N 452.556 0.159 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781355023 XHLMPVBBFMZBAL-UQBPGWFLSA-N 493.601 0.791 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)C1 1781395669 RNVJXJCSQIHOTD-UZUQRXQVSA-N 457.531 0.971 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](CC)NC(N)=O)C2 1783268404 JLGCJMHXOWFAMF-NDBKNAECSA-N 493.605 0.864 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565066 ICUDPLOFPBLAQK-VXKWHMMOSA-N 467.494 0.644 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)Cc4ccccc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n1nccn1)CCO2)NC(=O)OC(C)(C)C 1785305613 UWTVALOZQIBVHX-JTSKRJEESA-N 462.551 0.968 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1785571495 CBKSDFCTKSABBC-SBUREZEXSA-N 457.531 0.766 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1785593909 IJTNAFYWNVCZFG-KBJGYGKASA-N 460.535 0.728 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)C[C@H]3C=C)C2)C1 1785596076 KFBNIAOYLIAFQH-HZCFWTAGSA-N 476.574 0.976 30 20 JCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785786565 RHHXDLQNOVAFAD-ZJOUEHCJSA-N 467.570 0.805 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C[C@@H]21 1786860716 SZFQAWHAJWALRM-JBACZVJFSA-N 493.564 0.991 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787093298 FAXPTZALMBMRAN-CKOFKNITSA-N 475.550 0.122 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccccc4n(C)c3=O)[C@H]2C1 1787973878 MDZJAOKQJMTDBA-YLAKUSLOSA-N 452.511 0.565 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccc(F)cc3)[C@H]2C1 1789694346 HGRRUDNRWFLNIQ-INRAJLMNSA-N 486.544 0.782 30 20 JCED O=C(Cn1ccncc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1790580940 GNGMTGVTTIGUJR-AUHSXMTCSA-N 456.524 0.724 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)C[C@@H]32)cc1C#N 1792057070 XPHUAZLZHYVIMZ-QRFRQXIXSA-N 483.525 0.491 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc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c1ccccn1)C2 1799306228 NOMSAYOBOOGXAA-LJCCNALRSA-N 458.515 0.299 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COCCO)C3)ccc1Br 1799710384 WMHYYPIMQGQGDR-JLVBRIDZSA-N 452.305 0.533 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1802159571 GFFVXBUSEABZHQ-YVSFHVDLSA-N 492.577 0.222 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1803508581 ZXHQVLBVBBXHIC-FTPTTZRMSA-N 478.619 0.887 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@H]1c1cccnc1 1803552664 ICFKAFKASUWXKK-OJWCNPDFSA-N 466.542 0.596 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1808439336 MDQODRAKQDWECB-JXFKEZNVSA-N 479.497 0.642 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)/C=C\C(=O)NC2CC2)[C@H]1c1cccnc1 1810124791 QVDRSMQNMSMWNH-LSLCMVKLSA-N 451.527 0.781 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1810278344 DYWCEKVDFBWMLR-BJJBAQAISA-N 455.519 0.111 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2c2cccnc2)CC1 1810329317 PACAVIQCRUNOQF-ZEQKJWHPSA-N 495.624 0.950 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1810390704 UMWZMMRCPCMBHP-FZTJRJCLSA-N 474.481 0.844 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CCNC(=S)NC)sc2C1 1819801221 GYXNXXISFGTLTN-ZHRWSRJISA-N 450.590 0.398 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C#N)ccc1F)CC2)C(=O)C(=O)O 1824673308 FWKXFVUKTSPFPK-LLVKDONJSA-N 459.459 0.923 30 20 JCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)CC1 1828327216 PNNCIGWCTNBYAO-QGZVFWFLSA-N 476.493 0.892 30 20 JCED C=CCOCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828584171 XCFMNSJAQOWLAJ-SQJMNOBHSA-N 487.601 0.707 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)NC(=O)OCC)CC1 1828759177 GMXTUSPLLXFZBX-XGKTYTASSA-N 450.536 0.529 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCN2C(=O)OCc1ccccc1 1828915868 CJRBYCOFWYQHBI-JDRJUVJTSA-N 496.564 0.755 30 20 JCED CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCN2C(=O)OCc1ccccc1 1829346513 WGUBDEJSXSJROS-ZHRRBRCNSA-N 462.572 0.893 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)C)nn3CC)C2)C1 1829769541 YRNUIWMETPKZBD-WEHRJKGCSA-N 473.574 0.955 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831038570 OAZDNIRUAYWSGE-HOYKHHGWSA-N 497.589 0.759 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1831409721 XGZQMUIYCZSGNJ-VWLOTQADSA-N 486.569 0.779 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831427169 PWQLOJUCNZSBHW-DVECYGJZSA-N 474.558 0.579 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1831492320 JXECVNAYCWLLNZ-MTADBNSWSA-N 465.572 0.863 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1831997949 IURCAFJTEIXJJV-KSFYIVLOSA-N 463.535 0.949 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1831999686 ACSJFEOEYVVTSY-LLJLJFOGSA-N 494.589 0.438 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccnc(C)c1)CCO2 1832620202 UDBXTARVDGPUCW-RULWIFSWSA-N 456.543 0.637 30 20 JCED Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)s1 1833020889 GKSDDZKGCIZVBW-HSZRJFAPSA-N 476.599 0.934 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCOCCOCCOC)CC2)CC1 1833076680 KGKLZBZWYHOABR-PLNGDYQASA-N 494.633 0.486 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCc3cnccn3)CC2)CC1 1833077430 XUGDAUHELUYEJQ-PLNGDYQASA-N 454.575 0.839 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c(O)n1 1833304363 ZWCSXWKABJBNTD-VWLOTQADSA-N 495.536 0.784 30 20 JCED CN(C)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1833361773 DRZRZDNWANLSHC-RUZDIDTESA-N 470.570 0.916 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833617379 GUBCBQGUTXDPER-IIBYNOLFSA-N 450.561 0.307 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1835714141 IRIRCKKMZDUGTE-LJQANCHMSA-N 462.551 0.936 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)C(=O)O 1835760536 ZHROSLRXHOIKGZ-GYMFNRCXSA-N 465.528 0.006 30 20 JCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n[nH]1 1836282083 QWPGNBOTWMSWPN-QHCPKHFHSA-N 453.499 0.993 30 20 JCED C[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1 1836559735 AMDIFWSSJYCLRN-YOEHRIQHSA-N 458.625 0.762 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1 1836859347 FKKJVPONFHEIOO-XLIONFOSSA-N 481.590 0.909 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836992232 GGDMPVRFPSKVJO-WAIKUNEKSA-N 474.514 0.888 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)[C@H](O)C=C)CCO2 1837404918 DBQURIACXUXNDP-OSWQYVSFSA-N 493.601 0.933 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837466588 CJGLHMUJKYZAES-HSZRJFAPSA-N 489.598 0.050 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837566857 PXADKJJLKYIAKG-DBNSOCDESA-N 459.455 0.586 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5n[nH]cc5[N+](=O)[O-])CCO4)C3)c2c1 1837797630 ZDDVFXAODBYWFG-OAQYLSRUSA-N 480.441 0.450 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)ccc1F 1839186154 CRONEOZODVVFMZ-XMMPIXPASA-N 468.485 0.558 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)ccc1F 1839188170 OANVEOBGCAQZSZ-XMMPIXPASA-N 483.500 0.825 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839960224 HFLPPYKKFJYBJY-HYBUGGRVSA-N 460.527 0.556 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840422409 XKFLZTWOGJVYHR-IEGUWTFLSA-N 490.561 0.212 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(NC(C)=O)c1)CCO2 1840728006 GHZPQWDMWWWAHN-WEHRJKGCSA-N 470.526 0.573 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)n1 1840814502 NDHUOTXMUQADSQ-QHCPKHFHSA-N 457.531 0.437 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cc1cccc(F)c1)NC(C)=O)CCO2 1840858042 YFZVQQJESVUFCJ-URXFXBBRSA-N 459.518 0.743 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840882566 KIIVHHMKJISHNM-HTAPYJJXSA-N 482.534 0.203 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 1840907232 QZWDQJACYBVQQS-HXOBKFHXSA-N 473.530 0.463 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845064832 JYBMOAVXPRSJOP-ACRUOGEOSA-N 497.596 0.920 30 20 JCED COc1cc(C#N)ccc1OCCCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 498178931 GRYCOTMJQSEYTJ-UHFFFAOYSA-N 465.576 0.362 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1=O 504739166 BOJXRHAQYZFLJE-UHFFFAOYSA-N 477.543 0.843 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1CC(C)C 515690980 JSTVWSSPJYKXEZ-UHFFFAOYSA-N 457.552 0.993 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(F)c2F)c1=O 521663849 MLOCQSPMBHQKKO-UHFFFAOYSA-N 477.489 0.503 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(Cl)c3)c(=O)n2CC(=O)N(C)C)CC1 604270196 SLOFOIJJIPTUBZ-UHFFFAOYSA-N 488.013 0.319 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCc1cccnc1 609038988 VNNJYNWHYZVTCV-UHFFFAOYSA-N 479.518 0.721 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)cc2Cl)c1=O 619537413 CWFMWVHXHPKUHP-UHFFFAOYSA-N 488.997 0.709 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc4c(c3)OCCO4)c2=O)c1 726579581 JFRZEUWHOZOKIN-UHFFFAOYSA-N 487.537 0.917 30 20 JCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 750357614 KOYUJCCMYTZVMW-UHFFFAOYSA-N 462.514 0.574 30 20 JCED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 918898498 VEAMXDPSRWXUSG-OAHLLOKOSA-N 453.517 0.881 30 20 JCED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 919666772 NFNCBOXZCFKOMC-INIZCTEOSA-N 452.489 0.775 30 20 JCED CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1288241286 IJDICDDCVFULDU-GOSISDBHSA-N 475.575 0.644 30 20 JCED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 1307693019 RJLMJDVUCOMQPI-ZBFHGGJFSA-N 459.576 0.636 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NC2CCCCC2)C1 1316354642 GZAYIUSPAILTAF-OXJNMPFZSA-N 483.570 0.502 30 20 JCED CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1545991844 AVKCSXBTLKLCMP-KSZLIROESA-N 467.596 0.213 30 20 JCED CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1603674351 VXMNBSIBMBBUSC-NRFANRHFSA-N 459.576 0.619 30 20 JCED N#C[C@@H]1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCN1C1CC1 1642706009 NBJMIDFXUBFGBB-LJQANCHMSA-N 459.572 0.498 30 20 JCED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)C1 1698309561 PQSGPJFXDSBCCS-MRXNPFEDSA-N 457.560 0.800 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1706076039 WVYFXTFLGFPKEQ-ROUUACIJSA-N 483.639 0.442 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1706870774 IGEJBSIAUXRGQI-BTYIYWSLSA-N 493.565 0.846 30 20 JCED COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1767870291 MBYURVHKIUUYQZ-DYESRHJHSA-N 459.528 0.756 30 20 JCED Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)CC2)cn1 1769017890 YEBYAPAXOXNOKU-UHFFFAOYSA-N 455.548 0.426 30 20 JCED CO[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCOC1 1769773462 KCBQWJLIYPPBML-XLIONFOSSA-N 468.580 0.547 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1779000840 YUAGDTXZJBEMRU-RBBKRZOGSA-N 451.640 0.518 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1779338718 YTXQXNUCCGZOAK-DCZWBIAUSA-N 469.579 0.917 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)cc1 1780409994 MFWNMOXYNSAPIK-VGOFRKELSA-N 462.470 0.126 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1781046964 LZVKEBQQGQGFOL-QCMGHPBJSA-N 455.552 0.935 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)C=CC2=O)C3)c1 1781151162 UAKYJTBPGSANRX-NTKDMRAZSA-N 450.495 0.919 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CN(C(=O)OCc3ccccc3)C2)C1 1781685821 RWXSPTIXOJFJEK-CJFMBICVSA-N 483.521 0.857 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1781862007 YCPKRVZGDVIYFZ-XXBNENTESA-N 476.505 0.913 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CN5CCCCC5=O)CCO4)C3)c2c1 1782197625 BAAYHOFNNZQWSW-HSZRJFAPSA-N 450.499 0.891 30 20 JCED Cn1ccc(N(CCC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)Cc2ccccc2)n1 1782802881 NJCGFQQFHYBYMU-RUZDIDTESA-N 479.537 0.735 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784007791 RAKOQOWKGXJUEC-ZQMYSKGWSA-N 465.547 0.227 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4ncnn4C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784085979 FTTDXFZLOQBUJA-AOMKIAJQSA-N 460.535 0.824 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ncccn3)[C@H]2C1 1785423856 YGRNLECOKULTQU-OKYOBFRVSA-N 471.558 0.915 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1785427898 ZNYPAUHWFSPZGX-JTSKRJEESA-N 485.603 0.558 30 20 JCED Cn1c(=O)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)c2ccccc21 1788138806 WMBLWRJPKDPYBZ-WFXMLNOXSA-N 482.585 0.602 30 20 JCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1789809844 KTBXFPANOLGZET-OMZCGLGVSA-N 463.575 0.997 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790175072 GMMJXVUCMONGJA-DNCCFGNJSA-N 455.552 0.382 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21)C(F)(F)F 1790880762 SQLZMNPTJIZIPK-XQLPTFJDSA-N 465.469 0.970 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1)N1CCN(C)CC1 1792147396 QCQQUMPTTWFBEY-ROQCDXFCSA-N 469.586 0.553 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1792452332 QBWBVBWAFHWEPE-XSEPRYCASA-N 495.617 0.767 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1792792817 NBFGSCQOZNWYFA-ICTSLHNCSA-N 457.593 0.814 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795408395 ZVSKOWUGBLSTOZ-ALXJQNPVSA-N 450.536 0.811 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)n1 1797815543 RNWGEJVPYPAANB-SFKKXUDOSA-N 475.546 0.405 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798589412 IYINBLAHSRRAFL-LJGDNWOOSA-N 468.963 0.743 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4c(=O)[nH]c5ccccc5n4n2)C3)c1 1798860490 PLILPBRPZVQTSF-XEMDLRDOSA-N 483.488 0.959 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1799390975 AJLHNXINLBGMGP-DCXXXQMHSA-N 459.547 0.922 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)NC(=O)OC(C)(C)C)c1 1799684219 XTEXZSAUVTWHAA-DMUMMCEESA-N 458.515 0.913 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@@H](N)C(N)=O)C3)ccc1Br 1799708060 LPSBTQGWJNCVGS-CXHZTBPHSA-N 478.347 0.117 30 20 JCED C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799830172 DKLBXLNVGXEUCT-DEQVHRJGSA-N 450.586 0.798 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccn5c(O)nnc35)C4)c2c1 1799882558 WVTXSFWVZIHYHQ-ZSBFGKGUSA-N 472.465 0.700 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801069582 MDLMSIUNHYMBLM-PKRADWSKSA-N 478.590 0.962 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1 1801763094 WLZJBQOVKNRTBT-NYYTWLDWSA-N 461.482 0.562 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)c(F)c1 1801870862 WSERDGZSKIGBDJ-CWPLJXCYSA-N 482.530 0.942 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCCNC3=O)[C@H]1c1cccnc1 1802480108 ANKHGHRZXIIFOM-KGPYNAKISA-N 491.552 0.590 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2CCCCC2=O)[C@@H]1c1cccnc1 1802489194 DGFKWDXVBFXKTL-CLGYPTBXSA-N 453.543 0.958 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1808451108 ZEPIYOSREWWTLL-HQRMLTQVSA-N 462.503 0.661 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CCC4(CCCN(C(=O)CC#N)C4)CC3)csc2n(C)c1=O 1809023765 SIMJQIJHTKDSOU-UHFFFAOYSA-N 457.556 0.986 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)C(=O)C(=O)O 1810397845 BKMLDQHFTHZUBT-LMRSFZHFSA-N 455.471 0.343 30 20 JCED C#CCCC(=O)N1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1812443296 HETOVFDVBKEBLV-MOXWOTFGSA-N 483.594 0.681 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1814208224 QWXIRANQEVBOIQ-CMKODMSKSA-N 482.545 0.691 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1829771132 HIFFFEWYPKXXMP-IBLIISRWSA-N 452.511 0.681 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2)c1ccc(O)cc1 1829958831 BRMALHJVSGZXID-ISJBWFOZSA-N 483.565 0.872 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1830429268 ZXDWLFQXRISLFN-AREMUKBSSA-N 496.564 0.917 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)c1 1830461451 JULBYMOBMMZOLC-QHCPKHFHSA-N 451.483 0.757 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830773286 UOFHKKPYOJMYOD-GBXCKJPGSA-N 466.542 0.989 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885316 BJEHPSPHPWJVRC-MBSDFSHPSA-N 467.563 0.522 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885799 LFQZTTDPZZPFKA-AVYPCKFXSA-N 461.581 0.037 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831189124 VIHABYMYIJCKIN-QMHKHESXSA-N 460.506 0.611 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1831386889 KOSRPMPUNSIZOC-IEGUWTFLSA-N 465.547 0.491 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1831399656 YTPBBBYCTLDFMG-SZNDQCEHSA-N 452.891 0.860 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)C2)C1 1831402785 RGXMIIXSKUAFJI-STSQHVNTSA-N 499.630 0.737 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1831403211 ZERMYXGCXYRQTD-DVECYGJZSA-N 457.527 0.301 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1831413227 REZCWYWMHWYDQR-VWLOTQADSA-N 472.586 0.823 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1831420203 STYYQORBTONHTA-HTAPYJJXSA-N 466.556 0.751 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)NC(=O)OC(C)(C)C 1831579113 RJIYEDDPLMPSJA-QQMNAOGKSA-N 496.561 0.411 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767430 PZMIUTZNSXOCAE-UZUQRXQVSA-N 495.577 0.118 30 20 JCED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835512997 FUSGYXVSWWALSN-UHFFFAOYSA-N 459.635 0.916 30 20 JCED C=C(C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)NC(=O)OCC)CC2)CC1)C(F)(F)F 1835646196 VUQRAENJXHCSCM-INIZCTEOSA-N 450.458 0.741 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1835673927 BLBITWRSPDHEBK-DEOSSOPVSA-N 484.557 0.318 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1835676827 BUXWQMQOJAIPDY-QHCPKHFHSA-N 454.531 0.686 30 20 JCED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)C(=O)O 1835751184 CFNBBEUKHRFSJQ-AUSIDOKSSA-N 458.515 0.010 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)n(-c2cccc(=O)n2C)n1 1836259405 AFYKFPGHGWHBLT-AOMKIAJQSA-N 475.571 0.268 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c(C(F)(F)F)n1 1836320844 SOSPFAXIUKPUTB-FQEVSTJZSA-N 497.430 0.494 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)CCO2 1836727785 UIIYHFPEEMLIQB-DQMJNTIXSA-N 497.564 0.830 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1837393654 YESDSDRTWWOXLQ-JPYJTQIMSA-N 462.547 0.164 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1 1837440620 PURXGWHLIQLFBA-ACMHBOJASA-N 474.558 0.657 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837440894 FQZKWGSULQSGTA-FDCKDHBTSA-N 460.535 0.417 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1837483709 XQIHQLHPSVWAPL-VGOFRKELSA-N 461.519 0.243 30 20 JCED CC(C)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)C(C)C 1837527149 KINSLUYGFFALSU-CLCDBWRRSA-N 468.595 0.994 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1837531038 WHZPSWQUNPAQND-ZOLLBZJMSA-N 498.540 0.866 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869539 WWSDOACQYVGQHL-SFHVURJKSA-N 499.616 0.875 30 20 JCED COc1nc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1838175415 VWBDQMTYEQEFMP-QWPYIFRSSA-N 476.530 0.998 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838358138 PGYIPIUOYPGHFX-MTAMYTDCSA-N 484.550 0.579 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)n1 1838907523 XGZZQJXJMWAZIK-RUZDIDTESA-N 479.537 0.929 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)C[C@H]1CO2 1839085775 PFPJORCNWODJLD-LQGLAIQGSA-N 489.569 0.635 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3c(C)cccc3C)CCO2)C1 1839155999 UIJDKDUQBJFJDL-NTKDMRAZSA-N 457.527 0.737 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1839173657 DUIPNRXXCKXLJY-QFIPXVFZSA-N 464.519 0.109 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2)c1ccc(O)cc1 1839237968 MPPKKJMGVDBLAT-HYBUGGRVSA-N 467.526 0.637 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839274444 YQHBGWBVTUWRCA-IRCLMUFRSA-N 492.485 0.899 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(Br)c1F)CCO2 1839281357 WKKNBXICPCXNFP-LJQANCHMSA-N 469.263 0.746 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H]5CCC(=O)NC5)C4)C3)c2c1 1839486195 MYQDJNUXUYGBIR-MWTRTKDXSA-N 466.498 0.031 30 20 JCED Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)c1 1839487954 NSPYIIJSHZFGST-HSZRJFAPSA-N 463.498 0.710 30 20 JCED Cc1ncncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488555 YQPPPIIKSVCBLO-QHCPKHFHSA-N 461.482 0.917 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839560610 AKUUFBNPJHCGEQ-QNRXVKNXSA-N 471.514 0.933 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)CC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839833296 UHKVIOXQOGLMGQ-SBUREZEXSA-N 465.547 0.988 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)C(F)(F)F 1839894600 HTFRKGCIPITTBD-SFHVURJKSA-N 474.392 0.331 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840017855 IYZXGWMBYMYAIU-VFOTVIGXSA-N 473.570 0.969 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)cc1 1840204830 PCLXCAKZMSMAGG-IBGZPJMESA-N 454.405 0.307 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840316422 UKWYXUYFXVSLMR-DKZVUGQWSA-N 450.919 0.868 30 20 JCED Cc1ncc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)s1 1840399614 DQYWTYLUNGSWTG-WWSMJKQFSA-N 466.560 0.979 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840606470 JORXEVLFMBTNOP-CDXSOPQDSA-N 479.574 0.805 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)c(OC)c1)CCO2 1840680866 FYAPHOOCZRHMDP-FUMRIQNTSA-N 461.490 0.763 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C3)C2)CCC1 1840814424 ITAJYDUXFPDHRS-QHCPKHFHSA-N 482.497 0.442 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1840906950 MUNQMEUYJQCNBX-NTKDMRAZSA-N 488.541 0.774 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1)c1ccc(O)cc1 1840921986 CIPJJIYAURAYDT-FDDCHVKYSA-N 458.515 0.014 30 20 JCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1846371200 GRGUDAXNCKIVLX-KBPBESRZSA-N 463.622 0.836 30 20 JCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@H](O)N2CCOCC2)C3)N(C(=O)OC(C)(C)C)C1 1846449550 PYTJJYVPTIWFTR-HKUYNNGSSA-N 464.563 0.406 30 20 JCED CCOC(=O)C(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OCC 25983775 JCHFPIYSNAEDMT-UHFFFAOYSA-N 451.501 0.570 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCCC(=O)OC 501762208 MDRJQNQFKKDQKJ-UHFFFAOYSA-N 456.480 0.576 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccccc2F)c1=O 501766980 SRCXUCNGOFCOAN-MRXNPFEDSA-N 473.526 0.800 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)cc2)c1=O 522284205 SUGAQRIYUMIMQH-UHFFFAOYSA-N 470.595 0.206 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccc4c(c3)CCO4)c2=O)cn1 523577804 HNXMQPDRFBLILW-UHFFFAOYSA-N 479.562 0.706 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccc(OC)nc1 524023433 STWAHFUSPKLFKQ-UHFFFAOYSA-N 450.520 0.877 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C(=O)N3CCCCC3)CC2)CC1 591206063 ZYLGIEXFTWMZMW-UHFFFAOYSA-N 488.614 0.615 30 20 JCED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 603455050 KLDHMTZJVOOOEF-UHFFFAOYSA-N 476.580 0.987 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(OCC(F)(F)F)cc2)c1=O 727165316 YLCUQRQYBSZPRV-UHFFFAOYSA-N 472.470 0.427 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC(F)(F)F)c2)c1=O 728040058 ZOFKLNXLEYOREH-UHFFFAOYSA-N 483.468 0.817 30 20 JCED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 729687535 PWAUCXYJYHRFSE-ZFWWWQNUSA-N 457.530 0.069 30 20 JCED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@H](C)N1CCOCC1 729883043 XORWAHIZXDGOQN-IWAOJGAVSA-N 465.576 0.663 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 887556511 XDEDMKOXSURLFY-MRXNPFEDSA-N 480.543 0.243 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 918175297 XLRSHHQNEACXGN-UHFFFAOYSA-N 461.565 0.085 30 20 JCED CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)N1CCN(C)CC1 918253246 QOADNBZFGZGXHK-KZLURRSOSA-N 492.646 0.826 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1286541860 NTOQRCZZXMVBPU-ZDUSSCGKSA-N 462.370 0.384 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1301810419 WNUNAGZCONUHQW-QGZVFWFLSA-N 470.596 0.794 30 20 JCED COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cn1 1315496924 IYFIWJVDPLEIDM-BEFAXECRSA-N 465.511 0.505 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1360708163 RIKBWORGAVONSB-CRAIPNDOSA-N 473.607 0.574 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1446145251 ZQJTXCQNXFLDFT-WBVHZDCISA-N 457.535 0.901 30 20 JCED CCN1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1502282178 TYGQIRJZOCXATP-MJGOQNOKSA-N 487.634 0.966 30 20 JCED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1539606707 NXESZVBCKYQEMH-UHFFFAOYSA-N 461.386 0.781 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1552408521 CIPBICCCNCWYAN-MRXNPFEDSA-N 475.575 0.725 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1620176915 MSUYTMHNVDEUOL-GOSISDBHSA-N 473.559 0.194 30 20 JCED CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1695499699 VZFYGVDVYOESFL-CRAIPNDOSA-N 475.575 0.816 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1695940212 UVBYAZWWPJHAQI-KOSHJBKYSA-N 483.573 0.527 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1710000121 QQPOKSREGQSGCM-UHFFFAOYSA-N 462.562 0.984 30 20 JCED CC(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750572015 JFTKQKQTXSPANC-GOSISDBHSA-N 486.602 0.546 30 20 JCED CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCN1CCCS1(=O)=O 1750973095 ZKFVGZDGJABRKV-IBGZPJMESA-N 487.586 0.901 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1)c1ccccc1 1779182784 DTYIBEHNJBANLO-KNQAVFIVSA-N 463.471 0.738 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1)c1ccccc1 1779185458 RRSVKUTTZWLDDT-YADARESESA-N 452.511 0.565 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1779335900 WAQROJPVXVJGSD-MNFWLRKXSA-N 483.606 0.959 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782356707 ZDEAAKXDKRZMDU-CKNGIIGNSA-N 477.514 0.514 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1783603588 NRNZIFQJBOTYQE-OFDCYSCDSA-N 469.567 0.883 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783835522 HYGFTXVNDZZAQJ-STXHMFSFSA-N 493.648 0.463 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2)c1ccc(O)cc1 1784012001 BNYDRLROVKJKHC-UWDQQESISA-N 471.554 0.870 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1785379673 RSZZREGSWIZINI-XMMPIXPASA-N 495.561 0.672 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)[C@]34CCN(C(=O)OC(C)(C)C)C4)C2)C1 1785622145 AXPFCRAZMLWLFF-WDNCENIBSA-N 488.585 0.603 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622456 KNBYYKTVYLSLSL-MHECFPHRSA-N 493.605 0.962 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787496719 UXXJIPLAQOCXBY-QXKUPLGCSA-N 464.592 0.050 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788814848 BKXVTSWNHLNXMH-JKQORVJESA-N 490.517 0.828 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)C1 1789810932 JLDPKMBBYHAOGY-AVEIZBFRSA-N 462.547 0.498 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1791258393 NLIXACJKBJCXQM-FRMKIJSPSA-N 471.620 0.902 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c3nncn3c1)C2 1792490014 IDDNDGHLLFSMHC-KQORHLAWSA-N 458.906 0.444 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)[C@@H](O)C1 1793257587 MHZHJHAFSWMZDM-RVDAZCDBSA-N 461.559 0.607 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn(C)c(C)c1Br)C2 1793344766 KJSBJQWBAPDMAR-AYDFFVQHSA-N 453.337 0.733 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793374211 AFXDTZCRRGCAAD-ADPPENSOSA-N 499.630 0.726 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794090046 ZWJFGSADULYHKN-FCGDIQPGSA-N 498.646 0.824 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1795599099 SYGBJZDBYAQLSR-NYUBLWNDSA-N 455.515 0.593 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797103104 UBQDRGCVONGXCX-DLTLXFJOSA-N 470.555 0.728 30 20 JCED Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)no1 1797783556 XGYANSWKEOXMCY-FAQVEIGNSA-N 458.515 0.600 30 20 JCED COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cc1 1797817521 PWRKENBPIUJSQR-HIWVUUHFSA-N 489.525 0.971 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1O 1798382253 INDYYXOIJHLAEJ-YALNPMBYSA-N 461.519 0.855 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)cc1 1798919745 GKKGLNDQHXMSPS-JLVBRIDZSA-N 455.496 0.227 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801439874 NPIWISPCDTYBGT-URZNZNTCSA-N 497.556 0.695 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1801966718 HFYBGZSKZPLEFF-HUUJSLGLSA-N 495.621 0.930 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C(=O)OCC)CC1 1801987672 OPLCVIHMHUEUJO-TVQDXGFJSA-N 462.547 0.303 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C2 1802124872 MBBUXUMVZAJPOE-RDGPPVDQSA-N 478.590 0.655 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 1802201688 GZHBXURXRLUSJZ-XYBFSNSOSA-N 494.564 0.782 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC3(CCCN(C(=O)C(C)(C)NCCC#N)C3)CC2)CC1 1809775007 KLEVSHFNJUYYLJ-UHFFFAOYSA-N 460.623 0.664 30 20 JCED N#Cc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)cc1 1816667480 LULYXUJRXVTYEO-ZDUSSCGKSA-N 475.494 0.609 30 20 JCED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1820966431 HVMNGWYXZDKQLT-WBVHZDCISA-N 468.580 0.933 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1823745375 FULBLTJDVTWUQY-PXDRNWIDSA-N 480.631 0.195 30 20 JCED O=C1C[C@@H](C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)CN1 1829306666 WSPCFEONWMSYKR-RLWLMLJZSA-N 478.549 0.988 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)cc1 1829628295 OFGOCSNAOGBPBD-AREMUKBSSA-N 491.548 0.772 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)n1cnnn1 1829635690 MFCLMUOSALISIZ-HTAPYJJXSA-N 453.503 0.195 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncn5nc(N6CCOCC6)ccc45)C3)C2)C1 1829667117 VSGCFPSNMPNDKP-VWLOTQADSA-N 496.568 0.602 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1830026812 QYRCDPUCHLCDSE-GAJHUEQPSA-N 467.563 0.949 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1830461572 PWVVWMCKHVEGGM-DEOSSOPVSA-N 478.509 0.150 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO3)C1 1830569392 WGLLCZUZJMWAAC-JTSKRJEESA-N 453.536 0.295 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1831426035 FFBHYBDMQBPINN-GAJHUEQPSA-N 467.563 0.901 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1831493754 VGLAQGKPXHMBNT-WMZHIEFXSA-N 480.583 0.860 30 20 JCED Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)nc2s1 1832109546 OGYJSHLAGBLVBW-YVABFXQFSA-N 489.602 0.570 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1832462876 ZLLYGWAJCNSLOM-IEGUWTFLSA-N 499.630 0.732 30 20 JCED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)cc1O 1833409785 LEXLUHZMFKVMIN-QFIPXVFZSA-N 457.462 0.449 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cn(C)cn2)CCO3)c(C#N)c1 1834448255 MIKZVRMPUCQSFM-HSZRJFAPSA-N 453.499 0.613 30 20 JCED C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675597 YJIRMZQXQPMJLP-HOYKHHGWSA-N 495.621 0.885 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1837443356 GYZDLUONMXIQHL-UUVZMSSXSA-N 458.515 0.957 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837563388 XYPMYKZMRXBTAK-FXEGWKDQSA-N 466.538 0.869 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838249399 UWEZIFUXKPKQKD-JCFVMIBISA-N 450.467 0.820 30 20 JCED CNC(=S)NCCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838395310 BRUWYAHNOAHHGW-HUXSYLCKSA-N 483.635 0.998 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Nc4cnccn4)C3)C2)c1 1838582551 SFGPMFXGQWPJEE-XDHUDOTRSA-N 480.525 0.927 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(-n4cncn4)c3)CC2)CC1 1838688689 VUZSZJRPEZMIMU-UHFFFAOYSA-N 451.483 0.968 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C(C)=O)[nH]n4)C3)C2)c(C#N)c1 1839131634 OWBNBUUIGXUVQQ-XMMPIXPASA-N 481.509 0.805 30 20 JCED C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839160871 QAYOKEZQUSICRL-DJJJIMSYSA-N 469.420 0.177 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1839173368 LXFGEUXGOYJXFM-AUSIDOKSSA-N 467.563 0.503 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839237500 MPKUDVJOIVLMDJ-WZONZLPQSA-N 492.577 0.594 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)nn1 1839488577 ZNFQQPAOOYSQBD-QHCPKHFHSA-N 477.481 0.617 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)O)CCO2)NC(=O)OC(C)(C)C 1840030019 YFQXWGLCAALOBE-HOIFWPIMSA-N 455.552 0.683 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840035894 JKOOBLHQGDQQBS-ZGZPNVMRSA-N 467.522 0.391 30 20 JCED CCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040068 NEJUJIPMQLPXHO-CYFREDJKSA-N 471.510 0.130 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(-c4ccc(F)cc4)no3)C2)C1 1840041117 RKXFOBICEDYFGS-HSZRJFAPSA-N 486.456 0.353 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1)NC(=O)OC(C)(C)C 1840795736 YRFRPCVWKGZICK-FDDCHVKYSA-N 492.577 0.594 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1840795960 LMANXBDBKVZKLP-MWTRTKDXSA-N 493.561 0.178 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1840818926 GCBDIGLQPYGLJW-XMMPIXPASA-N 472.542 0.116 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1840913140 ZJEDEGNHYIBAPG-MQNAVGNWSA-N 490.561 0.204 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1840916292 VBBYTLGGVSHBNA-JPYJTQIMSA-N 467.563 0.520 30 20 JCED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1846256969 PKSOFLSDICRALO-VQYZLWMVSA-N 471.551 0.415 30 20 JCED C=CCN(C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)[C@H]1CCS(=O)(=O)C1 512082304 HZMKDVAZHILVEM-INIZCTEOSA-N 497.595 0.971 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2)c1=O 514645317 JDGFVVIYXLHBNJ-UHFFFAOYSA-N 488.585 0.427 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CCN(C)CC1 518715502 SXFFBNMGWMKVOZ-UHFFFAOYSA-N 453.524 0.890 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 523743803 ORDRWXJSIPHAHP-AWEZNQCLSA-N 460.512 0.509 30 20 JCED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)c1 608889645 NHCFQALEDGSSAC-UHFFFAOYSA-N 472.523 0.838 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)N3C(=O)NC4(CCCC4)C3=O)CC2)o1 726649412 GWIMTYRTFJJMPK-ZDUSSCGKSA-N 458.475 0.300 30 20 JCED CN(C(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)C(C)(C)C#N 749528010 QUISCPAOMPPKRR-UHFFFAOYSA-N 491.570 0.831 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)c1 769780877 GCGUWRCUHQNYRN-UHFFFAOYSA-N 467.406 0.938 30 20 JCED CCc1ccccc1-n1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(C)c2)c1=O 839355334 OOOCAFIZOSLCSS-OAHLLOKOSA-N 451.552 0.849 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2CCN(c3cnccn3)CC2)CC1 914901487 UVZALCCHDNWTRN-UHFFFAOYSA-N 498.565 0.641 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(=O)N(C)C 918729610 OAIQUROVAZHEKL-UHFFFAOYSA-N 474.546 0.260 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc(S(N)(=O)=O)cc2)ccc1F 919075189 NVJBECLDDSGOIU-UHFFFAOYSA-N 456.473 0.977 30 20 JCED COCCN1C[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1316121802 ZZEIPOMHRKKLSL-CBGDNZLLSA-N 464.592 0.805 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H](n3cncn3)C(F)(F)F)CC2)cc1 1471055044 DYWXPUQPUJJDAD-OAHLLOKOSA-N 457.438 0.969 30 20 JCED CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1502199569 OAYOHWDVXKLPFC-VQIMIIECSA-N 455.560 0.537 30 20 JCED Cn1cc([C@@]2(C)CN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)CCO2)cn1 1503646611 JUVSRQDGWDUMNE-OAQYLSRUSA-N 470.559 0.851 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1519531203 USZPQXGCQRKHSD-GOSISDBHSA-N 478.600 0.866 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C 1589406371 WWULGENBIUEOAE-CHWSQXEVSA-N 477.385 0.187 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CSCCS2)C1 1731014814 NJLHMFOBTGLCBD-KEYYUXOJSA-N 476.625 0.902 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CCO1 1748222901 JVDRGZKUCQKGQF-IBGZPJMESA-N 467.530 0.739 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1769371121 ZICORUILKOYPOQ-UHFFFAOYSA-N 467.559 0.791 30 20 JCED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1770340261 PLHRJTRXKYXUHV-SFHVURJKSA-N 455.544 0.950 30 20 JCED N#Cc1ccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)NCC(F)F)CC2)c(F)c1 1770738651 MZJKXKTWIIATJA-OAHLLOKOSA-N 476.463 0.948 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c2ccccc21 1778166869 KOGWYAQEHSISAP-AREMUKBSSA-N 480.565 0.869 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1)c1ccc(O)cc1 1778263864 MZTHSPUWXWOBGX-ATIYNZHBSA-N 468.598 0.967 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1778971087 HIOPWOBWUWCQSE-DYESRHJHSA-N 457.593 0.061 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779423227 JMADQBWZOFCYNX-GTOZPANGSA-N 462.551 0.957 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1780194372 IXDCVDZRPYMZSF-XSAUMEDDSA-N 474.470 0.611 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)[C@@H](O)C1 1781115215 QYHDTYGBBZPMSJ-TUILBKRCSA-N 493.605 0.516 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4C=CCN4)CCO3)C2)CC1 1781170024 KLPVLZUUSCARME-UUOWRZLLSA-N 473.574 0.885 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1781292188 UIQSMAAXJVBTFK-PBPSECFOSA-N 493.561 0.274 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781859303 QNNMEAKFVKYCNB-KMYGJPJSSA-N 450.492 0.372 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)ccc1Br 1781903454 VSBSJVJBLLQDTI-OXJNMPFZSA-N 478.347 0.357 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)[C@H](O)C1 1782009651 SEMQMESPPTYMTA-FGDDKPPBSA-N 493.557 0.206 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782010441 OTOWETAGFWJBNY-FGDDKPPBSA-N 493.557 0.206 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782640075 PNBDRZCMWJMONE-HOYKHHGWSA-N 487.557 0.861 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1)C(C)(C)S 1783158491 HEJZUJWMFILBPI-IERDGZPVSA-N 472.608 0.684 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565018 GWOLOBHPLKLHEM-YTNPXOLSSA-N 475.542 0.844 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)NC(C)=O)CCO2)C1 1783769246 PULHXNZTOQDXGE-ZDPZECHZSA-N 452.552 0.810 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1783927589 AOAFHQUQGQITAG-YADHBBJMSA-N 455.471 0.494 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784343878 SNFBUGDWKZJWHC-NLSFWIRASA-N 474.562 0.968 30 20 JCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784534830 QKEGXZUSNZOTBL-YARXLOAZSA-N 464.588 0.927 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CC1 1785344998 MCJYVOOLCSFNCQ-XMMPIXPASA-N 460.575 0.782 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785711582 XMALVDPNSJIJDR-CBVHJVASSA-N 465.572 0.652 30 20 JCED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1787411544 RDIYXBOASQLODN-MBGYTDRXSA-N 453.503 0.475 30 20 JCED CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077778 JQSXKKSPPQPLDT-FJIDUMEYSA-N 465.547 0.994 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2cccnc2)C3)cc1 1792422956 HVCXAYFTKJUKMG-RUMRUAAYSA-N 461.522 0.905 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)C1 1792631182 JCWBFHQZQLFJKX-CWQOZTLDSA-N 464.563 0.744 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCN(C)CC2)C3)c(O)n1 1794489222 PBAAKYMIRPVVFI-BBIADKPPSA-N 471.602 0.747 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(F)(F)C(=O)O 1796353572 LKMZGBZBCRFANN-FQLMCAECSA-N 473.473 0.603 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C1CCN(C(=O)OC(C)(C)C)CC1 1797218127 HWCXDSIBQTYSJU-LAVAIGHBSA-N 477.558 0.947 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCNC(=S)NC)c(O)n1 1797755553 MCRGNSWSWPBYHG-CCWDJLKJSA-N 461.588 0.593 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2)N1CCN(C)CC1 1799179547 RRGGNJCOEPZXDD-IVDSKFSHSA-N 453.587 0.716 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1799247894 LUNOKPUGTGHAFC-KYHPRHEASA-N 478.546 0.726 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799349800 GKMZCIQCVRQEHV-AJYBTWMASA-N 469.579 0.835 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801069435 GEEYBVYPDYCTEX-ZFVIQDPVSA-N 498.580 0.973 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](S)C(C)C)C2 1802084609 PYXBLBOTUGXLDG-QEOTZNIISA-N 487.619 0.987 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cncnc1)C2 1802124530 DYQQUAITVPVHCL-DMUMMCEESA-N 457.531 0.525 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1802125709 OPRLJNBTDKIFEK-DACLVMHWSA-N 487.513 0.295 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1802139684 AWOLYDPQXAXTAF-BGGZRJPJSA-N 462.547 0.324 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CNC(=O)c2ccco2)[C@H]1c1cccnc1 1802481431 JJJAZZRSPUQIDK-VQLQEPDVSA-N 465.510 0.969 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2CCCCC2=O)[C@H]1c1cccnc1 1802489196 DGFKWDXVBFXKTL-HMHWDUBWSA-N 453.543 0.958 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)COCCOCCOCCOC)[C@H]1c1cccnc1 1803553438 RDROIIKNUJHNPB-SFLYRZDNSA-N 491.585 0.822 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804198109 MOOQGBUWSFFBEX-LMNJBCLMSA-N 479.603 0.619 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)cc1 1804339818 BECXIOVTJIOPPT-DXIQSLLYSA-N 460.494 0.800 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)N1CCOCC1)C2 1804408194 WLGKEMIYOYKTQA-KZYXLMMUSA-N 478.590 0.745 30 20 JCED CN1CCN(CC(=O)N2CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)CC1 1807144627 CBODONXTPOXSNL-UNMCSNQZSA-N 455.607 0.617 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1808454065 BPSJKNJKERHHJE-JXFKEZNVSA-N 466.498 0.800 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2c2cccnc2)CC1 1814052487 XBZVKGUEBYDEQZ-RBBKRZOGSA-N 452.559 0.945 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)N2CCN(C)CC2)[nH]n1 1814438502 NZAJKJCCORKLCN-KTUYXQPPSA-N 457.579 0.896 30 20 JCED N#CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1816747213 VPJYQYRATSNBEX-AEGPPILISA-N 459.532 0.496 30 20 JCED Cc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN(CCO)CCO)CC3)c1 1823778975 ORMIXPIOQDNVCP-QGZVFWFLSA-N 457.556 0.836 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1828284441 KBJXTQBHAZZXMW-VNHYZAJKSA-N 492.602 0.565 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1828807969 BLHXSEHMYGZJFN-JOCHJYFZSA-N 451.487 0.644 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1cncn1 1829391883 RJVTXYBMKHEGSJ-MHECFPHRSA-N 494.508 0.379 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)N(CC)CC)C2)C1 1829762780 RDQRBYWILIUHKE-SXWFDJJXSA-N 450.580 0.422 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)c1 1830457596 BOENQOFNQJRWKG-XMMPIXPASA-N 479.493 0.749 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)C(C)(C)C)CCO2 1830634077 DOVWKGNYRRPQEG-LLJLJFOGSA-N 481.590 0.766 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1831391757 GMKIURQLGFMRKS-FDDCHVKYSA-N 455.515 0.454 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1831392086 JAAYTNHIDJYUNZ-UZUQRXQVSA-N 465.547 0.348 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1831493866 XPKVQKGHGYTIQC-VGOFRKELSA-N 491.570 0.703 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1832000804 XPBVNFIXHJYSNW-BTYIYWSLSA-N 465.507 0.609 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCn1c(=O)oc3ccccc31)CCO2 1832761113 UTCIGROVLYPPAI-IPACTHBOSA-N 499.568 0.913 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1832794854 WLZCEWRHPGGMPH-QFIPXVFZSA-N 472.586 0.843 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc(C(F)(F)F)n1)CCO2 1832945826 AZXUXNHLXPMOOX-ICTHTSFCSA-N 496.486 0.958 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cn3ccccc3=O)CC2)CC1 1833075862 AGWQQTFFZHZGGD-SREVYHEPSA-N 455.559 0.278 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(NC(C)=O)n3)CCO2)C1 1833334182 DGHVIJUFDPXWSN-FDDCHVKYSA-N 460.531 0.683 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)c(O)n1 1833699709 ARCHUHAABLZYIN-JOCHJYFZSA-N 458.471 0.983 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](COC)NC(C)=O)C3)C2)c(O)n1 1833700345 WLSDXYQSPBOSKT-HYBUGGRVSA-N 490.557 0.127 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1835667279 AJDQMCYKXLSDNL-OAQYLSRUSA-N 451.474 0.712 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1835677305 MGVIVOZFHDMBGE-OAQYLSRUSA-N 462.576 0.767 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCNC(=S)NC)CC2)CC1 1835713582 OPRXESRBCFGZMF-GOSISDBHSA-N 453.653 0.615 30 20 JCED CCS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835729415 ABIZBWQFJBMLOA-CJLVFECKSA-N 455.625 0.464 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cnn(C)c4)CCO3)C2)c(C#N)c1 1835988123 CSERYQUHYQPUQL-RUZDIDTESA-N 481.553 0.932 30 20 JCED O=C1NC(=O)[C@@H](CC(=O)N2CCC(OC3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)N1 1837116294 WTWZECDYPHGBGU-ZMPUUUETSA-N 459.503 0.295 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)N2C[C@H]4C[C@H]4C2)CCO3)c(C#N)c1 1837287019 MCDWYPXHDDORLS-VNWDASSNSA-N 482.581 0.906 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(F)(F)F 1837440797 YPYNIDUHQKMHCX-DDCBRMDLSA-N 450.458 0.228 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837443285 CDFMNWHGDBYBBD-XOBIUNJKSA-N 455.519 0.271 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CS[C@@H]3CCCCO3)CCO2)C1 1837506464 PCCDITSPNKDZEJ-KNQAVFIVSA-N 468.620 0.984 30 20 JCED NC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc1 1837532242 ASCCADSRQNGUBG-ZWGHOPNTSA-N 474.514 0.385 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837564548 WYABOVMJXMHRAS-LPHATQMZSA-N 457.527 0.854 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1838435391 SGJFKALMSJKOIE-HXUWFJFHSA-N 467.563 0.646 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OCCCO)cc3)CCO2)C1 1838545497 GGQVYTMFVUJUJX-CYFREDJKSA-N 460.527 0.556 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c1 1838582577 UBJXVOLBYILURM-QFIPXVFZSA-N 456.455 0.431 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839080745 IIINBMHZNNKQGV-PPULILFRSA-N 453.605 0.798 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1839173650 DMSODYPPYRVUQK-HSZRJFAPSA-N 460.531 0.488 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1839173881 RNGQDDCGMMCLKK-QHCPKHFHSA-N 471.514 0.617 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1839186032 WLVOYSGRRYXTST-VUMVONDWSA-N 496.605 0.827 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1839228522 GLBQCRZHSZFJHC-CYFREDJKSA-N 474.558 0.982 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839352516 SGMFMIOBYMSTQW-VWLOTQADSA-N 478.505 0.806 30 20 JCED COc1cc(F)c(Br)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839419345 WNDBOIQLKUBEDJ-FQEVSTJZSA-N 499.289 0.755 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CN5CCCCC5=O)C4)C3)c2c1 1839489510 ZREZSZAGCKQNFF-XMMPIXPASA-N 480.525 0.517 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532511 JTKNIHIOVIWZEA-REWVYZQPSA-N 461.519 0.428 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)cc2C1 1839622013 GVCGQUHRKWMEDF-HSZRJFAPSA-N 467.530 0.302 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839668841 QXJLYIXIKCQOIQ-HSZRJFAPSA-N 452.467 0.069 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CN(CC)CC)CCO2 1839679277 XPJSMSNTUNQKPC-CVDCTZTESA-N 453.580 0.930 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839692793 REFPSWUUNLNWLM-HHHXNRCGSA-N 474.561 0.892 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](F)CN3C(=O)OCc3ccccc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c1nc[nH]n1)CCO2)c1cccs1 1840379927 GSDUIEMVXBZDJT-WUUFJKRQSA-N 477.568 0.854 30 20 JCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)C1 1840818346 XKEWVHPWQWBSSD-MPCDZSKCSA-N 485.537 0.983 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1 1840906566 FQZARTXHRBFBRM-GAJHUEQPSA-N 475.546 0.407 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1840909290 PNNUMPYOCNNWTR-HXOBKFHXSA-N 493.557 0.313 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1840913976 RXCNNZHIGMBRLY-DQMJNTIXSA-N 494.589 0.438 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842058831 HIIFFSSIQBRTNL-DSAVQBFFSA-N 459.503 0.725 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)c1 1843130846 SWCIFTNLSASGKO-UHFFFAOYSA-N 455.496 0.849 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)C2)cc1C#N 1843235880 GNSBBRZEHDDSGG-UHFFFAOYSA-N 462.470 0.602 30 20 JCED N#CC1(C(=O)N2CC3(CCCN3C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)CC1 1844623558 GJFPXASDWCLDFC-UHFFFAOYSA-N 466.523 0.785 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C1 1845887635 LMPJCWVHAZUSIE-ZWKOTPCHSA-N 478.590 0.990 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1846282598 YWKREEWJCNQNGB-SFHVURJKSA-N 484.557 0.866 30 20 JCED CCn1c(Sc2c(C#N)c(=O)n(C)c(=O)n2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 14222973 LUXXHDKJKLQXPG-UHFFFAOYSA-N 490.567 0.497 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c(C)c1 514491394 ILLJWCZZRGQOAB-UHFFFAOYSA-N 452.580 0.813 30 20 JCED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 518749295 YURZDIFVKFOBKQ-INIZCTEOSA-N 473.555 0.549 30 20 JCED COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)CC2)cc1 569047010 IEVLYOCFNRVMCG-SFHVURJKSA-N 454.443 0.273 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 603101928 QTOJGNFLFYXLIQ-UHFFFAOYSA-N 458.544 0.494 30 20 JCED N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1CC(N)=O 608910908 WKHQQMUYDAEDJS-UHFFFAOYSA-N 478.433 0.777 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)c(Cl)c1 608912104 CXTPCZGHBARDHQ-UHFFFAOYSA-N 499.014 0.149 30 20 JCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 728572338 APZVKWYYMQTAFP-HNNXBMFYSA-N 469.995 0.284 30 20 JCED CN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)(C)C#N 749178710 MRQDMCUOXFMLGB-UHFFFAOYSA-N 467.504 0.777 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)n(C3CC3)c2C)c1=O 838210676 NWCVXPJJDGDDKH-UHFFFAOYSA-N 456.568 0.671 30 20 JCED CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)N1CCN(C)CC1 918252488 ALZANSUXMHITML-FLKYFCFGSA-N 492.646 0.826 30 20 JCED CN(C)C(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918279750 GMXVBWDRAKYTEK-HAVVHWLPSA-N 451.549 0.813 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 919315649 LYMNHGJFHUVAFC-IBGZPJMESA-N 482.580 0.975 30 20 JCED CC(C)(C)n1cc(C(=O)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 919433360 RVGQJEJYLUEDAB-UHFFFAOYSA-N 487.538 0.769 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1286986486 QKJXZIBATGXHGJ-QGZVFWFLSA-N 481.623 0.903 30 20 JCED CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302316456 SVISHGKPQUBRRA-RDJZCZTQSA-N 484.648 0.570 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1505153404 VOWPESURIPLDDV-UHFFFAOYSA-N 487.508 0.962 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1547321536 UNPCTGOZLMGBAS-UHFFFAOYSA-N 477.529 0.794 30 20 JCED COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1555575089 KZKMMMSKLQMJGC-QUCCMNQESA-N 465.514 0.952 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1706651631 SIYWNXMPVXQZIZ-UHFFFAOYSA-N 464.574 0.990 30 20 JCED C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1708264994 OHIMETWHDJNPAA-SFHVURJKSA-N 483.573 0.920 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCN1CCCS1(=O)=O 1763044816 WEQZZOSTDMLAJY-MRXNPFEDSA-N 473.607 0.988 30 20 JCED N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(=O)NCC(F)F)CC2)c1 1771533985 IMGLOZJYRRJSFU-AWEZNQCLSA-N 459.461 0.204 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)C3)C2)CCC1 1778054998 FPQVWKCQMJGGIU-HSZRJFAPSA-N 461.482 0.708 30 20 JCED CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/C(=O)c2cccs2)C1)C(=O)C(=O)O 1778096525 KWJRHWHESMOVPF-NZRBFCARSA-N 477.539 0.544 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c(C#N)c1 1778832982 QLBJEASCEWADKB-POUSAUBHSA-N 452.511 0.774 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1)c1ccccc1 1779183695 BXLCAYVRBPHCIO-XLNZFTOWSA-N 452.511 0.612 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CCN4CCN(C)CC4)CCO3)C2)c1 1780167781 AFBAISZYGXTKCD-DEOSSOPVSA-N 455.559 0.648 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCN(C)CC1)C2 1780802629 XLDNKTAIFZOVDR-MIZPHKNDSA-N 451.612 0.939 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)ccc1F 1781295728 RERGZZKBTPOFPB-HSZRJFAPSA-N 454.458 0.385 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](NC(=O)OC)c3ccccc3)C[C@@H]21 1783528355 QRNLTTFFNXJJJD-VHMGZENTSA-N 484.553 0.922 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)c1ccc(O)cc1 1784020867 BNYDRLROVKJKHC-QFZWGZQFSA-N 471.554 0.870 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@H]4CCC(=O)NC4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089619 WBBSBOZRWQHJMI-LLJLJFOGSA-N 476.574 0.908 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)[C@H]3C2)c1 1785330680 ITSWTDOFWSUVSE-DFHZNHDVSA-N 466.498 0.486 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)CCO2 1785425608 SCNGMDNOPKENKH-JOTIYABQSA-N 461.559 0.989 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nc(Br)nn4c3)[C@H]2C1 1787147943 FLVXWKNBBVSJEX-IHRRRGAJSA-N 476.287 0.173 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)N4CCOCC4)[C@H]3C2)c(Cl)c1 1788657274 SWUXSOUYVZMOJL-MNNBHYOVSA-N 462.934 0.456 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CSCSC3)[C@H]2C1 1788683261 VVHIDYGACIECQP-YHIPHSQJSA-N 468.645 0.868 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1789838789 ULTOCRKJJWQAKC-MUGJNUQGSA-N 488.589 0.955 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792147433 TZAZADHEGHQYQF-JLMWRMLUSA-N 450.495 0.929 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccccc1 1792941159 BQPURSAZAULNQT-WXKDIYIQSA-N 469.538 0.958 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1793385535 QVYWGBPRJVWHFY-HVKXIDHRSA-N 471.620 0.758 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)cc2)C3)nc1 1794427716 WVLGCOZTVINXTC-XEMDLRDOSA-N 454.508 0.874 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)C2 1797589656 SSFHQSJTDHWBNN-NZGUISNBSA-N 474.514 0.613 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797838624 HDLIVMVVWJTRPL-PSKREFJMSA-N 478.546 0.828 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2 1799320411 BVCSDJZTQREOSG-KYHPRHEASA-N 462.551 0.878 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1)n1cnnn1 1799710984 QAMFAXJIVNRAQT-FIUQPQMISA-N 474.319 0.772 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1800823534 CPSSYOGZPCBKRC-CWFFCZEZSA-N 477.583 0.666 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)CC)C2 1800981519 NFNOWCDREYPSIM-DFGXFYAUSA-N 496.561 0.361 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800990812 ZUZZGYHLZMGKEM-QMIVOQANSA-N 459.565 0.351 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1800992681 TXXUVWIBZWURDJ-FEJSZKPUSA-N 451.527 0.886 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnc[nH]1)C2 1802127255 SQKAZWAHMZRUMG-ULZZCCSGSA-N 457.531 0.929 30 20 JCED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804170952 QIBPINYHNCEYFN-GHTZIAJQSA-N 466.629 0.737 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1807027613 ZQGNHWHMYIJTBV-WIYYLYMNSA-N 478.486 0.511 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@H](C)NC(=O)c2cnccn2)[C@@H]1c1cccnc1 1810435733 FIFLEODBAGAEQV-NEYGCNLRSA-N 491.552 0.554 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814567412 ZICISLRWXMVPKE-ZXGPMVCASA-N 451.549 0.916 30 20 JCED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[nH]n2)CC1 1817113026 GZUKFOAPYYFNFF-CWRNSKLLSA-N 485.570 0.886 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1829766274 PKVFGUZFLRKFEO-XXXZYALBSA-N 480.525 0.196 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1829768908 KNYRJBMCYNIHQR-KSEXMQBYSA-N 491.566 0.392 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3ccccc3)C2)C1 1829770327 JGBPLSZVQDJFRV-ZLWFTYKOSA-N 456.543 0.802 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1831399652 YTPBBBYCTLDFMG-QKKBWIMNSA-N 452.891 0.860 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1831492541 MILKABFMAZPLQY-WIYYLYMNSA-N 454.637 0.177 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2)c1ccc(O)cc1 1831615728 JTPDXRCFCKKJMO-RQBNJVACSA-N 471.554 0.857 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1831997998 BFSIHWMYMBBSLQ-YDIMBITNSA-N 496.605 0.827 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(C(C)C)CC1)CCO2 1832405777 FJBAVRWXKSMRHN-VRWDYKOXSA-N 462.591 0.422 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccccn1)CCO2 1833187259 IPMOFCJOEZYZPN-JPDUQLBUSA-N 460.531 1.000 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833483322 YYVUKUKJSAXGBW-CVMHLPAOSA-N 486.635 0.768 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2)c1cccs1 1833830678 HSQJQPNNUWSQIS-KOXUSJRISA-N 458.496 0.753 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1833864601 JTPRPDDFCPDXBX-MYRHLRDYSA-N 465.507 0.028 30 20 JCED O=C(CCN1CCOCC1)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1834637216 HUFAVTRULPLXJP-BLJGPLFWSA-N 479.622 0.809 30 20 JCED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CN4CCNC4=N)CC3)CC2)cc1 1834706357 XLZPIKALDMJWSX-UHFFFAOYSA-N 451.575 0.778 30 20 JCED CC[S@@](=O)CCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834716168 JBPHOWUGWKKUQX-WJOKGBTCSA-N 453.653 0.999 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)[C@H](N)c3ccccn3)CC2)CC1 1834722631 AQGAFDSIGTXEON-OAQYLSRUSA-N 455.607 0.935 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(C)=O)CCO2)C1 1834875087 MIPWEHYFIJPTFN-MBSDFSHPSA-N 465.547 0.729 30 20 JCED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 1837128191 GENSAMDFJDBIKO-UHFFFAOYSA-N 498.584 0.236 30 20 JCED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c2cccnc21 1837186949 WBQUCTXUZPSLSB-DEOSSOPVSA-N 468.558 0.925 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1837397223 TUWJHRZBPHATST-PGRDOPGGSA-N 450.536 0.173 30 20 JCED CC(C)c1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)no1 1837524455 HZEDPOAPHIYQFE-GTBXIFBCSA-N 479.534 0.721 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524567 JSVBSMRWTOPCJG-MYRHLRDYSA-N 465.507 0.028 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1ccccc1=O 1837684287 PGEIFUNFQNZAFF-MBSDFSHPSA-N 459.547 0.148 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-c4ccncc4)[nH]n3)CCO2)C1 1838009464 MYCMJJZPOMSYIY-UZUQRXQVSA-N 453.499 0.580 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838509130 KZEOHBPDCNIYEO-KKSFZXQISA-N 461.544 0.729 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1838534924 LFWNGHVXDJGKEL-QHCPKHFHSA-N 454.458 0.780 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)cc(OC)c4)CCO3)C2)CC1 1838584849 JQUMMQCYLYPEMU-QHCPKHFHSA-N 471.510 0.980 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)c4ccco4)C3)C2)c(C#N)c1 1839131248 TZWYHCQGSNONTF-VWNXMTODSA-N 469.494 0.892 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(C)=O)C3)C2)c(C#N)c1 1839132585 KRZNVIABFXFRNK-QHCPKHFHSA-N 458.515 0.092 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1839421477 TUXMCZNVTXBTCU-JOCHJYFZSA-N 469.429 0.569 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)CO3)C2)C1 1839810006 YGQPQPGZQUKSLK-IERDGZPVSA-N 487.500 0.347 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840076641 XNBJZIMDOMFJGV-NRFANRHFSA-N 460.593 0.432 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(N)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251635 QKWYPFJHOQVESB-GAJHUEQPSA-N 480.562 0.274 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1840907035 OAEUDJWGTLOEJZ-AOMKIAJQSA-N 461.519 0.396 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1841745630 NCTIWKSMFXGTIG-KRWDZBQOSA-N 484.619 0.390 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1845131947 LCDDPKHQZDESDT-MRXNPFEDSA-N 486.506 0.611 30 20 JCED CC(C)(C)OC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194443 GKUYQJHHQZDUIJ-HNNXBMFYSA-N 494.545 0.696 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 523255738 DZCSHXKGKDVNBD-UHFFFAOYSA-N 450.524 0.007 30 20 JCED N#Cc1cccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 603598290 LCKQXEMDCJYWFN-UHFFFAOYSA-N 484.581 0.042 30 20 JCED Cc1ccc(C)c(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccncc3)c2=O)c1 603788680 YTVJCCLZFWHPFQ-UHFFFAOYSA-N 489.601 0.862 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(SC)cc2)c1=O 603793584 ZOHZXQPJSSTQAD-UHFFFAOYSA-N 470.620 0.769 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccccc1C#N 604001472 GMQVAQRVFAWGCO-UHFFFAOYSA-N 475.486 0.945 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1ccccn1 726182271 NESTXLJEZZJBSK-UHFFFAOYSA-N 466.567 0.164 30 20 JCED COC(=O)CCCN1CCC(=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 727059219 MRZKWYOWPYBDSJ-UHFFFAOYSA-N 452.581 0.835 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)ccc1F 729671466 OCJGJVFAXXSBAE-UHFFFAOYSA-N 463.556 0.527 30 20 JCED C[C@H]1Oc2c(cccc2C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)NC1=O 729740660 CZFPAWQDCMEUDZ-OAHLLOKOSA-N 498.517 0.968 30 20 JCED COc1cccc(NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 749005260 MEKGIVUIZHMPPI-UHFFFAOYSA-N 474.495 0.485 30 20 JCED C[C@@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)c2ccco2)CC1 769239519 HAJGTWFZMRWLNL-OAHLLOKOSA-N 488.522 0.625 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 831630925 YIBTZDSFBNVSJY-GJZGRUSLSA-N 455.558 0.310 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OCCO2 839369103 GOAUQWCSEJKCIR-UHFFFAOYSA-N 451.508 0.433 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 917687958 HDFMPPZYITZWAE-CVIUTVQRSA-N 495.583 0.603 30 20 JCED CNC(=O)c1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cn1C 917750290 MYEIWYMHGLAFAZ-HEHNFIMWSA-N 453.546 0.998 30 20 JCED CC(=O)NCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918280530 YUUXKTGJXZHUSX-MOHJPFBDSA-N 451.549 0.861 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCC[C@H](NC(C)=O)C1 919016875 UJFFHWUDROHYFA-BXKMTCNYSA-N 468.510 0.822 30 20 JCED C=C(Br)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 921130333 JWJNYXIVMHDFBZ-UHFFFAOYSA-N 462.322 0.679 30 20 JCED CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1302448906 JHIMNZCMRDUFJA-WMZOPIPTSA-N 479.584 0.787 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1509786915 ZBMLJTFXHILDDL-GOSISDBHSA-N 486.602 0.755 30 20 JCED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c(=O)n1C 1542392909 UGTRUESNNCORSS-RDJZCZTQSA-N 463.564 0.405 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1555991646 YIVKVQLESYRQGJ-KRWDZBQOSA-N 458.544 0.880 30 20 JCED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1589289255 PXYVLASPKSYJIA-UHFFFAOYSA-N 461.386 0.941 30 20 JCED COc1ccc(NC(=O)CN2CCN(c3ccc(C#N)nc3)CC2)cc1S(=O)(=O)N(C)C 1660049759 LULIYJDCDIRBBB-UHFFFAOYSA-N 458.544 0.973 30 20 JCED C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1692841381 NMIALRXWEULEQX-BXTJHSDWSA-N 465.507 0.836 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1=O 1723780259 QFFGTSIPRLBBMY-IRXDYDNUSA-N 467.596 0.752 30 20 JCED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)n(C)n1 1725843637 XDJGLSUSCANXER-KRWDZBQOSA-N 462.580 0.831 30 20 JCED O=C1NCc2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)ccc21 1779103060 NAPUJEVIKUVEPU-OXZVPYCZSA-N 456.499 0.903 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)C1 1779139421 CQFXMCSMKZZBKW-RXTFZPRWSA-N 490.557 0.756 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cnc2C1 1779949815 KBYAKBBSRVRJBX-HSZRJFAPSA-N 487.513 0.165 30 20 JCED Cc1c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn2[nH]cnc(=O)c12 1780021675 LGAYXFSTXIUODI-DEOSSOPVSA-N 486.492 0.836 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781201347 BIWKAMLPTXHKTE-QHCPKHFHSA-N 483.562 0.867 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1781270714 KYOGARWVNCYFEA-QMHKHESXSA-N 496.561 0.094 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)ccc1F 1781300555 XTDBUGCWIPTUGU-LJQANCHMSA-N 456.396 0.748 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(C)C 1781387633 XCNNIDKKTKDVEJ-LLJLJFOGSA-N 489.573 0.492 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565700 QHAPXTSZCLMDQG-MZNJEOGPSA-N 491.541 0.178 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)=NO2)C1 1783566259 SADXQTWJFCZWIN-XZOQPEGZSA-N 490.513 0.060 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1783766960 KKCLHKGIPGSNEI-WAIKUNEKSA-N 476.530 0.999 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncnn3C)C[C@@H]21 1784787086 VDTDXDZOHSXKLX-QAETUUGQSA-N 462.551 0.878 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1785375506 CSJKLRPDDIKRCK-IVCQMTBJSA-N 493.520 0.773 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3c(=O)n(C)c4ccccc43)[C@H]2C1 1788139112 QUJFFJCUMRGNIX-WKRCXCSHSA-N 456.543 0.911 30 20 JCED N[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)c1cccnc1 1788658617 RSOREIHCEYJOSX-FBYMMUJPSA-N 459.547 0.980 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)nc5cccnn45)[C@H]3C2)c1 1789199171 BGUQVWBKMZAPTO-LRQRDZAKSA-N 488.504 0.877 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])[C@H]2C1 1789268896 HJDYHQBKDSQVBI-XTXVLUPMSA-N 488.497 0.761 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H]5CCNC(=O)C5)C[C@@H]43)c2c1 1790330616 LPMCALPFEQITRC-YEWFCNIMSA-N 450.499 0.554 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(I)ccnc3OC)C[C@@H]21 1790794050 VVICAHQEHFEZLO-OBJOEFQTSA-N 469.279 0.921 30 20 JCED CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)NC(=O)OC(C)(C)C 1791078116 LEKWHQFRMJVZJN-YVSFHVDLSA-N 451.520 0.748 30 20 JCED CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791201031 FAOPPDAMFYBUBI-XSLAGTTESA-N 465.547 0.851 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1792146495 ZBRFKJYAAFMFHV-LNLFQRSKSA-N 461.482 0.668 30 20 JCED O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1792238966 DKHSLPOESGZNEU-HVUQSGKKSA-N 484.600 0.355 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(c2cc(OC)ncn2)CC1 1793132374 KEEVOKDONLQTAS-KYKTVFGSSA-N 498.584 0.150 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2 1793830387 ZUPMWGHWYWVJOE-XFIYOXNOSA-N 463.535 0.692 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795412271 HQUFIPYAJHREIQ-YYIAUSFCSA-N 498.602 0.208 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1)C(F)(F)F 1796080937 OSQQBEMQPVAMOL-MIFYACCESA-N 461.462 0.948 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]nnc3n2)c1Cl 1796572658 NAUSPWFMCYBEMD-CLLJXQQHSA-N 452.862 0.903 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(I)cnn1C 1796747413 PGESTDZWTYFONO-GUDRVLHUSA-N 464.329 0.546 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1797710342 TVVZIMQJZLLSSY-KMOPNRPKSA-N 497.589 0.606 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1797713979 FEYKXNXVJLCFAR-QSMSVPEVSA-N 481.590 0.377 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798096416 HEEPVDWXTWEOSI-LTCOOKNTSA-N 489.529 0.847 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1799233452 YHKYYRXEPWFAIZ-JNIAIEOXSA-N 476.574 0.409 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)CCOC1 1799330947 LMASVULSHZSWKI-JEZSTIGHSA-N 450.536 0.810 30 20 JCED Cn1c(=O)c2c(CC(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C3(C#N)CC3)C4)csc2n(C)c1=O 1799832238 XUDUFPOBBCMOPG-QDMKHBRRSA-N 455.540 0.783 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)C2)C1 1800721294 KBZGWOCWIQPCKK-HGKCTWBKSA-N 461.515 0.311 30 20 JCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1801162166 CWMSNJDNPMYIBA-FOZRXDQQSA-N 455.555 0.949 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCNC2=N)C3)cc1C#N 1801849027 VUNNTVRRUFUFFZ-RMFSNUHRSA-N 454.531 0.389 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1802022024 QIDKUFKREVUMED-UPHUGPLXSA-N 452.515 0.183 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]3c3cccnc3)c2c1 1807194868 FRKCXAKBKIOGAZ-NRJQMVOHSA-N 474.525 0.742 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1810256810 VLZRXUAWMIDVKZ-CMKODMSKSA-N 469.542 0.931 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810288129 IITPGTHEWMRPQA-AVCGNGPHSA-N 452.515 0.484 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]1c1cccnc1 1813065361 LCMGDWUEJILEFR-XTQVGHSUSA-N 459.547 0.985 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@@H]1c1cccnc1 1813335192 QFCDCLMTAZOLKE-HCCCMQBZSA-N 493.568 0.416 30 20 JCED C#CC(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)[C@@H]1c1cccnc1 1814262243 BTUHYVBZNMREJW-AVRDEDQJSA-N 469.542 0.800 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=N/O[C@H]2CCCCO2)CC3)CC1 1818894944 BVJMMIQCEAVTIH-BJCHONHNSA-N 492.602 0.748 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)C1 1822465679 WRSULUMPYBDWAP-NYHFZMIOSA-N 475.502 0.862 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1826651126 QFOMJHKBGQUHGW-XWGGLRLASA-N 486.602 0.997 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCN2C(=O)OCc1ccccc1 1828989678 FSVHMNICCDPZTO-WZONZLPQSA-N 456.499 0.134 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 1829260039 DZOWIIRUWYGLGO-VWLOTQADSA-N 475.505 0.879 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c([N+](=O)[O-])c1 1831219071 QELYKSFQYNIOTM-QHCPKHFHSA-N 471.466 0.865 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1831418111 AKMKYWGLEWXCPT-HRAATJIYSA-N 451.545 0.525 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831460824 JBVRGWIQJZGKNY-BTYIYWSLSA-N 483.974 0.962 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1832000553 TXLCRKGXCMFKIW-OPAMFIHVSA-N 478.550 0.653 30 20 JCED CC(C)(C)OC(=O)NCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832055933 SXSMGXZGYHGTBY-JOCHJYFZSA-N 467.519 0.226 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832684332 RCKIBNOMSMSTPT-XMMPIXPASA-N 466.494 0.867 30 20 JCED CN(CC(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1)C(=O)C(=O)O 1833108517 WEPGZLJZXHPKNC-UHFFFAOYSA-N 469.542 0.215 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)n(C)n1 1833448218 YTDQZEHDGYBLLX-QHCPKHFHSA-N 453.499 0.879 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1833470818 NPXJKKWWPHIDJD-UHFFFAOYSA-N 484.663 0.966 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833599583 OAWUXOSQCLSZTQ-IBGZPJMESA-N 473.498 0.767 30 20 JCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n(-c2cccc(=O)n2C)n1 1835341991 HRCFDEIRQDXBQR-DEOSSOPVSA-N 480.525 0.253 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1835674055 DMBUKRZUZGNTMT-JOCHJYFZSA-N 455.519 0.081 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)NCC(C)C)CCO3)C2)c(O)n1 1836523461 XFNZIGQHQCKSIM-DEOSSOPVSA-N 474.558 0.748 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3CNc4ccccc4O3)CCO2)C1 1837351829 UDAFRXNVBSZRBB-KHCICDEESA-N 457.527 0.744 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)C1 1837392602 FNRDVCWXGKQDIS-LYXWCMDISA-N 466.575 0.995 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1837446705 MWKUKGHXPIOYEZ-DXPRYJPLSA-N 468.558 0.964 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1837526730 VEKJAKDEXIRBHK-VZXDHSFBSA-N 451.476 0.298 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1837881677 JEMTYYWNZJYEFE-ZPCWFPIVSA-N 467.567 0.107 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccc3Br)CCO2)C1 1838073495 FDVORSFCQJVVII-FOIQADDNSA-N 466.332 0.952 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)cc1C#N 1838644721 YOUUHUHEPWWFLX-DEOSSOPVSA-N 481.509 0.813 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1 1838757847 DNKHPOMEIDWDMR-BPRFCRFOSA-N 478.550 0.632 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(c3cc(NC4CC4)ncn3)C1)CCO2 1839039131 UYASYRIJGRBUCO-KOSHJBKYSA-N 483.573 0.637 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1)c1ccccc1 1839078266 NOYMTCFVYVAWPF-XOEOCAAJSA-N 455.555 0.363 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)ccc1F 1839187445 DALYQCLDHVPLNK-JOCHJYFZSA-N 458.446 0.490 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c(Cl)c1 1839424410 HSTDRAZYJRDWCP-GHTZIAJQSA-N 481.958 0.859 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)[C@@H]4SC(=N)NC4=O)C3)C2)c1 1839452361 YAJDWQJEOWFXHZ-WIRVKHDMSA-N 485.566 0.739 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1839453156 QSRZOGCUTWRTMG-QHCPKHFHSA-N 464.482 0.139 30 20 JCED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1839859835 IVPSMKCIYBSWMV-HXUWFJFHSA-N 479.331 0.527 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839959323 HELGPXNYYZHUOS-JYRBOFFYSA-N 475.542 0.575 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840035893 JKOOBLHQGDQQBS-XNKHYLNYSA-N 467.522 0.391 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC)CCO2 1840139951 KMMKKDPZCHSDDY-GBPOLFSSSA-N 450.532 0.789 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c1 1840358378 CYRNNPFZPGPLJG-JOCHJYFZSA-N 454.487 0.319 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1840371350 CTQLEQBGEOKVSZ-RCZVLFRGSA-N 494.552 0.407 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCS(C)(=O)=O)C3)C2)c1 1840716656 PHKLLDDAAFWGCE-VGSWGCGISA-N 463.556 0.818 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5c(c4)NC(=O)CS5)C3)C2)CCC1 1840815252 FSTYLECUEDDFJV-QFIPXVFZSA-N 471.539 0.890 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccno3)C2)C1 1840907442 VHTUAAQSJGVDKR-KSFYIVLOSA-N 462.503 0.661 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CC)n3)C2)C1 1840907558 YDBREEPGMFGFHE-HOYKHHGWSA-N 489.573 0.890 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1840959475 RGSCZASURLEXCJ-HXOBKFHXSA-N 478.546 0.382 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)CCc2ccc(C#N)cc2)C3)n(C)c1=O 1841984199 TWHRIWMATKXFNI-UHFFFAOYSA-N 489.536 0.142 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(=O)OC)C1 1842649304 SUASCSLJPGGKSY-MRXNPFEDSA-N 496.561 0.949 30 20 JCED Cc1cc(C(=O)N2CC3(CCCN3C(=O)C(C)(C)NCCC#N)C2)n(-c2cccc(=O)n2C)n1 1842919398 AOYLOBBEGPDMKH-UHFFFAOYSA-N 465.558 0.978 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034335 GTWDENQFIUPVCR-LJQANCHMSA-N 480.606 0.173 30 20 JCED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)NC(=O)OC(C)(C)C 1846933499 SBCBZYPDEWGYOH-AWEZNQCLSA-N 486.533 0.489 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1C(=O)C=CC1=O 1847950465 MYOAZWOTMIBVSW-IKGGRYGDSA-N 458.515 0.420 30 20 JCED C#CCNC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 19142604 SBTOKIGTBLPWGW-UHFFFAOYSA-N 462.528 0.302 30 20 JCED COCCn1cnc2c1c(=O)n(CC(=O)N1CCC(C#N)CC1)c(=O)n2Cc1ccccc1 490123929 GXUJJVYOVXLFDU-UHFFFAOYSA-N 450.499 0.817 30 20 JCED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)NC[C@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)c1 502062255 GLHXUSLOTRGJFM-LJQANCHMSA-N 492.561 0.389 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)CC2)nc1 516092711 PIJUJXAQKCKQEX-UHFFFAOYSA-N 454.512 0.780 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2)c1=O 523088958 YBMJGNACTRBCDO-UHFFFAOYSA-N 474.558 0.037 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC 592993913 CYTCHHQWVCRZEZ-UHFFFAOYSA-N 470.530 0.695 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cc1 604270516 VLMNSHRRSFXRQU-UHFFFAOYSA-N 470.551 0.060 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(C(N)=O)cc1 609351043 CTVXKEHMQZLQQH-CYBMUJFWSA-N 498.511 0.930 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)CC1 728536032 FWACPMNAYJMSJR-UHFFFAOYSA-N 470.570 0.984 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1 788280716 YQHIJTPKRLTWMS-QRWLVFNGSA-N 454.549 0.865 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 916774948 HAOLXTOARRLYLP-UHFFFAOYSA-N 464.525 0.783 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCc2ccccc2)c1 918272023 XTCMNASYXWJGKZ-LGUFXXKBSA-N 471.539 0.871 30 20 JCED CNC(=O)COc1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1OC 920588936 UQPLYYCNAVMWMX-UHFFFAOYSA-N 471.470 0.494 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1298940448 WDHXMXCMBCOGMO-INIZCTEOSA-N 467.596 0.513 30 20 JCED N#Cc1cn(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(=O)nc1O 1440597034 ZJLCQEFXIZIQKL-UHFFFAOYSA-N 453.480 0.507 30 20 JCED CN1CCC(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)(N2CCOCC2)CC1 1478403597 MDUVAOOGVVDGKM-QZTJIDSGSA-N 450.584 0.841 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ncccc1Cl 1510224032 SCHNEJAXDGBXMW-QWHCGFSZSA-N 455.928 0.744 30 20 JCED COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1518665307 YCZDZHRRUXLOAM-UHFFFAOYSA-N 497.556 0.319 30 20 JCED C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539773295 VFPGQJTVPLBYQL-UHFFFAOYSA-N 468.002 0.930 30 20 JCED CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1696462349 PYEQERHDEQETRD-MRXNPFEDSA-N 460.560 0.935 30 20 JCED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1708147514 QUAOMUMENLCSAG-DOTOQJQBSA-N 457.560 0.765 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCCC2=O)C1 1712707176 XDLQCZWFDGAOOE-ROUUACIJSA-N 495.606 0.132 30 20 JCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722550633 LVWQMCVBOXPSIJ-CQSZACIVSA-N 468.971 0.535 30 20 JCED CC(C)NS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1761271754 QLLRXWSVFNXWTO-IBGZPJMESA-N 458.592 0.768 30 20 JCED CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 1765497372 MGJHOBWMZJXREN-NQIIRXRSSA-N 466.590 0.794 30 20 JCED N#Cc1ccc(-c2nnc(N3CCN(CC(=O)N4CCCC4)CC3)n2CC(=O)NCC(F)F)cc1 1771532970 USAUYHFMBWXFGY-UHFFFAOYSA-N 486.527 0.942 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C3)C2)c1 1779076384 ZCGAWEBTYFSHQW-NZQKXSOJSA-N 473.482 0.505 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104020 ATXAEQGUYZZJQR-QGHYLCHJSA-N 498.577 0.621 30 20 JCED Cc1c(Br)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)nn1C 1782013323 FRPPQAICEQHQJE-BFUOFWGJSA-N 467.320 0.707 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1782177587 GOBJUHPILAJAAT-QJKPHDSHSA-N 468.470 0.773 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783453017 KSOZWNZAAZKGEG-YDIMBITNSA-N 491.585 0.881 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C[C@@H](NC)C(=O)O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090419 QJBGHYYRZBTPTL-DGGJZMOXSA-N 480.562 0.445 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccccc3I)[C@H]2C1 1784179802 HYWJPSWFRMDYOQ-ZOBUZTSGSA-N 496.301 0.901 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2)NC(=O)OC(C)(C)C 1785306985 SPIWKLVQTQLMBW-CKNGIIGNSA-N 493.561 0.274 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)[C@H]2C1 1785621871 WAIJQXDOQVXURI-BJLQDIEVSA-N 498.584 0.760 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1786560091 JMTAIQHWCFJQMB-SORZXXQLSA-N 454.552 0.820 30 20 JCED Cc1cc2nnc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/N5CCCCC5)C[C@@H]43)c(C)n2n1 1787910945 ZAWZDCGORCNDJC-UPHAJYCBSA-N 468.562 0.806 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1788658313 OHHUWACXYTYEHR-IOBXQYEZSA-N 462.503 0.518 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc4c3OCO4)C[C@@H]21 1788660319 ISYYVYKXDUXSNU-OAOTXVCUSA-N 460.487 0.933 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nccnc4C(N)=O)[C@H]3C2)ccc1F 1789093348 PRECCEQRKPGEQO-ZVZYQTTQSA-N 466.473 0.422 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)C[C@@H]32)c1Cl 1789267280 ZCRWMLYDIYOFNQ-BPUTZDHNSA-N 459.890 0.357 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789884226 NROLYDRSRDMFGY-HSHCXIQHSA-N 464.563 0.570 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1789904568 YQLXOPNDIABTKS-XSLAGTTESA-N 477.566 0.512 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1)c1ccccc1 1790635143 DTWWBOCCWHEXRX-WOZUAGRISA-N 469.538 0.706 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)S)[C@H]3C2)cc1 1791258272 IRLNGIUKKPLOJS-QAGGRKNESA-N 469.629 0.960 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1 1792888357 BHGFZZNXKJKKEC-IYWMVGAKSA-N 472.542 0.956 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCNC(=O)OC(C)(C)C 1793088782 PICBHNDHXUJWFV-CUSZFKRNSA-N 475.608 0.452 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1793832126 VTMAKWUBWBRDEI-LXTVHRRPSA-N 486.533 0.534 30 20 JCED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795968588 DDJOLQNCYNEMRB-UGNRZPKXSA-N 468.558 0.981 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3CC3)C4)c2C1 1797315615 LCDOHOIMIDZSKF-XEMDLRDOSA-N 484.557 0.645 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)C1 1799196114 GJPPQFMNVGRTMC-RZFLPCETSA-N 462.547 0.498 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)c(C#N)c1 1799239609 KVORVFZJUKHNMP-SHJAMOMRSA-N 461.540 0.276 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2 1799323072 XRAIFKGYFINNNI-SFNKJDCFSA-N 497.662 0.920 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1800800057 NTNSZHHZTISPFG-KRXQYRFLSA-N 452.508 0.336 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1F)C2 1800981598 OEKZEGDPQLIMKK-RFSXOUPVSA-N 498.552 0.740 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)c2C1 1801990476 ZZLUAGRSGYDNGD-MUJYYYPQSA-N 471.514 0.974 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2 1801991823 XEAACDBJBDXNSG-YEZVWNJWSA-N 453.451 0.957 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1802020944 LCXWYRPWUQVYQQ-XNFGBDPYSA-N 463.575 0.997 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC=O)C2 1802282255 HZWZNEVVMWZLIC-JCECYMMASA-N 495.577 0.565 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810355560 CJKGDLDWCZBOKU-NBEICRJUSA-N 460.535 0.209 30 20 JCED C#CC(=O)N[C@H]1CCc2nc(NC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)sc2C1 1828393110 PLQCFDUQTZZIJU-ZDUSSCGKSA-N 461.544 0.768 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCc2ccc(C#N)cc2)CCO3)CC1 1829632131 QAKZJWWBHWLCBV-AREMUKBSSA-N 483.613 0.585 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cc3F)C2)C1 1829769485 VIOXJXAFWNZUKA-KSEXMQBYSA-N 461.490 0.763 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1830461573 PWVVWMCKHVEGGM-XMMPIXPASA-N 478.509 0.150 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831188960 SYIUYAUHKCXXAZ-OSPHWJPCSA-N 472.542 0.480 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccnc(OC)c3)CCO2)C1 1832596202 TVAMTIAMVXJDSY-XMMPIXPASA-N 475.542 0.989 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833027843 VHSPPEXJPKOMQK-XLIONFOSSA-N 455.602 0.889 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)cc1 1833468141 NXTDVEIQOZKJBA-XMMPIXPASA-N 466.494 0.660 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)c(O)n1 1833699711 ARCHUHAABLZYIN-QFIPXVFZSA-N 458.471 0.983 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834402063 RCPXXUAGEMJTOX-UOKFIYJESA-N 489.573 0.960 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1O 1835667706 NFNZMFLWXRFWIH-DEOSSOPVSA-N 474.558 0.682 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1835677232 CIWVTILTOZRJRI-JOCHJYFZSA-N 488.570 0.108 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1835677244 CQNNXHOVFSRKCS-DEOSSOPVSA-N 481.557 0.824 30 20 JCED Cc1ccn2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cnc2c1 1835682216 BXYCYMKODKZBTO-XMMPIXPASA-N 468.558 0.995 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1835713451 XTKVJWFVQPAJON-SFHVURJKSA-N 471.562 0.176 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nn(-c3ccccc3)c3c1COC3)CCO2 1836392651 RUBPLZBUXJOCMS-DEOSSOPVSA-N 480.477 0.061 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1836473888 OEIBMZZDXMFESN-MGPUTAFESA-N 477.505 0.540 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c3ncc(C(F)(F)F)cc13)CCO2 1836965344 MVHILKRPSIYUJZ-HXUWFJFHSA-N 480.399 0.740 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)C1 1837487072 WBHZQOPUYUPIAC-WZOHSFFVSA-N 476.570 0.731 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1 1837490714 MKJYPVFQLLVYGH-QHCPKHFHSA-N 458.515 0.254 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837491575 PNZFMFMUCMSBBX-DEOSSOPVSA-N 467.526 0.498 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837497408 UVXXDAUJBCRNEE-JIPXPUAJSA-N 497.592 0.960 30 20 JCED Cc1nnc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)s1 1837524179 BELAQPBRHRBMCJ-YHAFYQSGSA-N 481.575 0.765 30 20 JCED CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837524601 CLAOQCWDTGJCSC-SUGVQOHVSA-N 452.552 0.314 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837524819 OCPXPVDCVRMSRQ-IXUOJCAQSA-N 477.518 0.474 30 20 JCED Cn1cc(F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837528197 AXNKLHSIZUYDFW-IANVCVOOSA-N 452.483 0.763 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530633 OHPSGOYNCVDGHE-OSTGQTKBSA-N 454.524 0.773 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1 1837530955 ADUCUBSFLWFAFU-XTSMJKTBSA-N 463.491 0.084 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1)c1ccccc1 1837613174 XMQVKOMXLXPQHG-NZQKXSOJSA-N 493.497 0.365 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1837732157 RQIKUTQICNFQPO-OFNKIYASSA-N 481.666 0.645 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1837733486 AQRJNVMALBKNGB-AVRDEDQJSA-N 478.933 0.433 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1838492977 SJZLFTVYKXTQRO-XGVLDKRDSA-N 497.556 0.982 30 20 JCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CC2)CC1 1838744766 ZEJJUFGQQYOMNP-KRWDZBQOSA-N 450.536 0.387 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)no1 1838907289 JYPNIGPIFOIZEB-HSZRJFAPSA-N 467.482 0.355 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1839174903 CJRFHYJRZPIRLJ-WZONZLPQSA-N 460.531 0.848 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1839477065 URZKVTCDUVOZSU-NRFANRHFSA-N 465.503 0.603 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(O)nc(O)n5)C4)C3)c2c1 1839487966 OKAUESSJLDCFAV-JOCHJYFZSA-N 479.453 0.020 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839637156 YKUAWBCGQCYQIH-PMMUTSNFSA-N 499.568 0.738 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839772586 FEOLMQJISXJFJH-AVRDEDQJSA-N 450.532 0.414 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3OC[C@H]4CN(C(=O)OC(C)(C)C)CC[C@H]43)C2)C1 1839810640 KFNLFENQJXMEOA-YASKCIBGSA-N 491.585 0.738 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1)C(F)(F)F 1839892008 NBASUEHQHJHGIY-GOSISDBHSA-N 477.461 0.674 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1)C(F)(F)F 1839893783 PVXFEUREJTVIPD-JXXFODFXSA-N 459.465 0.962 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOCCOCCOC)CCO2 1840075882 GSSCSHNSJMKZOH-HSZRJFAPSA-N 472.579 0.495 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1840082108 ZRRFOHJGNQOCCA-QFIPXVFZSA-N 490.619 0.058 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1840108351 RNAFPPQWLZLCJO-SEPYTNNBSA-N 480.562 0.048 30 20 JCED CCn1c(-n2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)cc2C)cccc1=O 1840159845 PCSOJKRQLLMFOH-UZUQRXQVSA-N 489.598 0.751 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1840164931 KKJABCBGVCYGKF-IFXJQAMLSA-N 461.556 0.720 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1840763481 GCCFTNYNBQMFCO-OSPHWJPCSA-N 472.542 0.940 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818423 BKVWKVDRQZWPIF-GAJHUEQPSA-N 458.515 0.308 30 20 JCED Cc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn1 1840818986 IKETTWRAIBITHX-QHCPKHFHSA-N 451.483 0.806 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(COC)CC3)C2)C1 1840906962 MZBXHFABBOWONX-MHECFPHRSA-N 479.574 0.786 30 20 JCED COc1nccc(I)c1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196136 PLVUUDBZMIREKK-UHFFFAOYSA-N 469.235 0.600 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)cc1 506420149 CKFSMACHDQXSQH-UHFFFAOYSA-N 470.507 0.844 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCCCO3)c1=O 511085280 IRAIZDIFZHNBDU-UHFFFAOYSA-N 455.536 0.843 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(F)c(F)c3)c2=O)CC1 516828464 NKUDAWUTWXUDGV-UHFFFAOYSA-N 474.533 0.817 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc4c(c3)CCO4)c2=O)CC1 518712629 OOEQLOSNVKPKOV-UHFFFAOYSA-N 480.590 0.473 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 522531652 MRGUGJSLTNRRCB-UHFFFAOYSA-N 476.558 0.962 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(N)=O 524282235 XPMDGUVZOVZEAX-UHFFFAOYSA-N 454.961 0.156 30 20 JCED Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 603436386 FVFXSXITDVVSTC-UHFFFAOYSA-N 462.509 0.698 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccccc1OC 603793308 VMSGMIJHGRHMMR-UHFFFAOYSA-N 493.541 0.960 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608826562 DMNKNHYMFYEILM-UHFFFAOYSA-N 452.467 0.395 30 20 JCED N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 609097409 ZDMUYWLRDYEUQK-KRWDZBQOSA-N 457.512 0.752 30 20 JCED CN(CCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1)S(C)(=O)=O 726105398 BAHRUPVMQZDGLV-XGIGFIBQSA-N 467.617 0.874 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1cccnc1 727813625 APEFBYSGCCXNMA-UHFFFAOYSA-N 480.594 0.554 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)O[C@H](C)C(=O)N(C)CCC#N)CC2)cc1 729235153 UNSRMVOWSFRCFC-GOSISDBHSA-N 478.571 0.912 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 729257630 KMMKJOAZZHJGTI-KDURUIRLSA-N 476.599 0.382 30 20 JCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCS(C)(=O)=O)c1=O 729673594 XARXJDANCFKCJC-UHFFFAOYSA-N 451.595 0.450 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nnnn2-c2ccccc2)c1 730681102 DZWGXKLHWVKMLH-BWAHOGKJSA-N 482.526 0.730 30 20 JCED CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 877876850 FXOBXZIMFGVEPW-SJLPKXTDSA-N 464.544 0.784 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC(C)C)c2C)c(=O)n1CCOC 917356546 ZWJQYURZEMPCDY-UHFFFAOYSA-N 460.600 0.896 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(=O)N(C)C 918730202 REHHSKPBGOLOST-UHFFFAOYSA-N 464.469 0.822 30 20 JCED CN1C(=O)c2ccc(NC(=O)COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc2C1=O 921170139 SFXFWWNAALGGPX-UHFFFAOYSA-N 456.436 0.244 30 20 JCED CS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1302465798 ZNAPXFKLKRRPBG-UHFFFAOYSA-N 452.544 0.902 30 20 JCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCN(C(C)=O)CC1 1513925878 YHUUPULXBGDAAS-KRWDZBQOSA-N 452.567 0.381 30 20 JCED CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)c1=O 1515784405 BBMZBJKIWRBGBW-MAUKXSAKSA-N 474.591 0.295 30 20 JCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1516596999 LOOOYVWPOIEWOL-SFHVURJKSA-N 459.576 0.881 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCOCC2)CC1 1692848055 OIMYQTWPCQHRHE-GOSISDBHSA-N 481.623 0.463 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CCO1 1706050386 SHJYFTZYLBXNEU-IBGZPJMESA-N 473.559 0.194 30 20 JCED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1748283470 SZCUHHJCSFMYHA-UHFFFAOYSA-N 465.562 0.442 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2Cl)CCO3)CC1 1778354926 SKRXWVQSBBHUDX-HSZRJFAPSA-N 473.961 0.819 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1779335543 MWCMRALQUVPRRF-GSHUGGBRSA-N 480.587 0.539 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c(C#N)c1 1779877331 XMZBVOMVRXHEJE-QHCPKHFHSA-N 464.482 0.142 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)c(C#N)c1 1781171341 SIGPQJSUNYBICW-ZHRRBRCNSA-N 463.556 0.620 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1782014413 LUGXKXFSWHMFKS-HSZRJFAPSA-N 451.531 0.993 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C[C@@H]21 1783530947 XPMBZDAIHTYDQO-BFBMHGIHSA-N 481.553 0.178 30 20 JCED CO[C@H](C)[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)N(C)C(=O)OC(C)(C)C 1783564911 DFKAQVLITOJFRR-FXCLAUTBSA-N 467.519 0.175 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567681 WHIUNVXDOHRBMQ-XARZLDAJSA-N 461.515 0.551 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CCO[C@@]4(CCN(C(=O)[C@H](C)S)C4)C3)c2n1 1783894252 IUQQGRCGAGFOLM-ZSEKCTLFSA-N 491.574 0.275 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)c1ccc(O)cc1 1784014649 OBSYJWNNTDVTQV-VAXXYWNWSA-N 456.543 0.312 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)NC(=O)OC(C)(C)C 1785308012 BGASXBNURFYMNP-KOSHJBKYSA-N 489.573 0.933 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1785571500 DPMMWZKOGVPGRN-HRAATJIYSA-N 471.576 0.168 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)Cn3cncn3)CCO2)C1 1785577949 SEBONMWTVPGDEE-BSRJHKFKSA-N 474.562 0.661 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1786859392 FYUGEPYWQATFOK-RMMWZPCPSA-N 459.591 0.649 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603497 GYECKTJKAUYMLA-JNEMPRBOSA-N 498.621 0.134 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)c2ccccc21 1788659340 JJOOXFSXIULNMT-XLMMOZAISA-N 499.568 0.849 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4[nH]cnc(=O)c4c3C)[C@H]2C1 1789176709 RCWZSKNHMKETPH-SZMVWBNQSA-N 471.514 0.434 30 20 JCED C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C[C@@H]21 1789883354 OFNRNZVIMBPZNC-JSRQGNBESA-N 486.635 0.702 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1)N1CCN(C)CC1 1789907123 KJSXVLIESSUNAU-JQIPMYIQSA-N 471.577 0.855 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOC)[C@H]2C1 1791134517 SJACKBDKCKSWLZ-UFYCRDLUSA-N 470.563 0.545 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NC(C)=O)C[C@@H]21 1792255830 ZLSLMQHMPCOFRY-VJANTYMQSA-N 478.590 0.797 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1792257593 GFXXKXWZGZJRSE-BURNTYAHSA-N 492.617 0.605 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(C(=O)OC)cc1)C2 1792490959 RUDHBAWFXXSBBL-ROAZTASUSA-N 471.510 0.300 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2 1792491355 OWHHXKHPQKHLKA-JLRLZTEKSA-N 460.462 0.724 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1792886490 BXLMHQMNOCVYJJ-JYQJLIFWSA-N 464.519 0.174 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2 1793592210 ASOXRDNQBCFAHF-KYHPRHEASA-N 473.592 0.480 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1793597558 NLYRZVPXMMMOBU-KRXQYRFLSA-N 477.566 0.379 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793729017 OGHKGIKBWUOWFD-ZSBIGDGJSA-N 452.405 0.213 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795412646 PCDLWAIYIRBIJW-BSQBWSPESA-N 462.547 0.640 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)[C@H]1SC(=N)NC1=O 1796422800 DRQKMWLILYDZIW-ORDKNWPVSA-N 476.580 0.879 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 1799331442 RQPZAKPOTKGTRF-GZXWBTJBSA-N 465.547 0.298 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1799679414 ADABVQYYLXEEIX-NZGUISNBSA-N 458.515 0.533 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1800024211 PHJUPIWWHORDSO-XMTFNYHQSA-N 489.573 0.873 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1800708888 VDBHIHYXBZVDSJ-FSGKZVOOSA-N 491.585 0.640 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3[nH]nc(C(F)(F)F)c3c1)C2 1800778829 IDZHKWWVBSYLMD-DPIQGUFMSA-N 450.373 0.873 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1802127992 MAGRPJNWGDJXTH-NYUBLWNDSA-N 476.574 0.505 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2 1802138808 VXBGPKBAETUZOV-IFSBAMAHSA-N 460.535 0.488 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803248680 NSCKTISBUZAPNH-SQGPQFPESA-N 474.514 0.451 30 20 JCED N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1807116615 WUQMUPVOJSKTCV-TZFXJZSMSA-N 457.535 0.456 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)c(C#N)c1 1808165132 TYZZAWFKQIIUJF-NYDSKATKSA-N 490.520 0.808 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1822928344 JKAQIDUIRXZTEH-LLVKDONJSA-N 452.489 0.108 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828972152 IZIBDWQUYQGTEZ-UDZNCULOSA-N 451.568 0.728 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829043892 FASIOUAPXJLXLJ-LJFZDNNRSA-N 473.574 0.316 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCN2C(=O)OCc1ccccc1 1829372610 IUGFPJFBQPGHGG-VWLOTQADSA-N 480.521 0.940 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCNC3=N)C2)C1 1829461051 IKHNDYNKQKVAGE-VWLOTQADSA-N 480.569 0.692 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632059 OIFNLKFJFQXNNE-WMZHIEFXSA-N 457.531 0.394 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832358348 YJLRNKRBAHVZTF-KHOMTPLRSA-N 477.602 0.807 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)Cc5ncccn5)CCO4)C3)c2c1 1833169760 YKEYRFWKLVJIHO-HSZRJFAPSA-N 461.482 0.537 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)CC2)CC1 1833467307 ORJILQYKDMEFAC-KNKQGSTJSA-N 458.603 0.997 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1833469539 DSZAAMLIJXULHP-UHFFFAOYSA-N 471.562 0.586 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833569824 ICNLDRFBVMDNNT-WWODUSMQSA-N 481.481 0.381 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)OC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1834857036 MHFLLQUSKWLMCL-MHECFPHRSA-N 495.573 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc3c(c1)OCO3)CCO2 1835177559 CPQIVYYMZLHIQQ-JOLZLKTMSA-N 485.537 0.663 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1835675478 SBZQGILDJFNQEE-QGZVFWFLSA-N 482.431 0.080 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835876841 RKCOEGPSSBPPEK-PEBXRYMYSA-N 475.571 0.917 30 20 JCED N#Cc1ccc(F)c(C(=O)NC2CCN(C3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)c1 1836464590 XYIKXJIDQOUEFC-UHFFFAOYSA-N 470.505 0.434 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836994861 WRLWXQTUOHMKFK-IOCYEQIYSA-N 490.557 0.829 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1837392353 DJVOOZJZLWUBSD-BSRJHKFKSA-N 453.580 0.567 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1837525628 XWIORBFGYORIBA-OPLCJOFYSA-N 453.536 0.931 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn1 1837564270 FCVAWTMUHNHECN-HPTBBYBNSA-N 455.515 0.930 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837644959 ZHPBBKUVMCYDPL-WMZHIEFXSA-N 459.547 0.069 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccncc5O)CCO4)C3)c2c1 1837819983 GDBIZJACMRZINX-HSZRJFAPSA-N 462.466 0.919 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838341368 SHOZKLKQEUSVTE-CYFREDJKSA-N 488.541 0.307 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838404597 GJFZYQJLGDLDDB-OOLNSOFGSA-N 482.578 0.665 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)cc1 1838951530 UQGXWIPLZJODPD-HSZRJFAPSA-N 451.483 0.921 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1839043959 CKCLMNFGAQZBMX-OAQYLSRUSA-N 480.612 0.267 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1839174902 CJRFHYJRZPIRLJ-MBSDFSHPSA-N 460.531 0.848 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(N4CCOCC4)c3)CCO2)C1 1839344279 VWDKBTJJTSRGIX-NLFFAJNJSA-N 471.554 0.632 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839693251 TVFGXNKBZWKNRN-PWDRKSFLSA-N 484.601 0.312 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840008790 RAFFGHYRWRCLNI-DEOSSOPVSA-N 490.557 0.622 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)C2)C1 1840040923 FOENLUOTPGVHIG-HSZRJFAPSA-N 455.442 0.979 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1)C(F)(F)F 1840077772 LAWPSJBDGJAQJT-LJQANCHMSA-N 468.469 0.631 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c(Cl)c1 1840234505 YETXIZVWILJSFY-KSFYIVLOSA-N 460.918 0.808 30 20 JCED CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2 1840763918 YFQKSFUOHZQBTK-DEOSSOPVSA-N 472.542 0.942 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)CCO2)C1 1840790082 RHBAAWLODZPAIK-ZHRRBRCNSA-N 498.985 0.852 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cnn1C 1840818891 DHGPKFAGYZFGTH-HSZRJFAPSA-N 453.499 0.749 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CCO2 1840917781 OLTVFJQMLWIOSE-QHCPKHFHSA-N 493.557 0.316 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1841603451 OOONIIUMGPVYAN-MRXNPFEDSA-N 460.531 0.994 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1847121891 QORYOOOOEPRJQG-KRWDZBQOSA-N 462.547 0.307 30 20 JCED CCN(CC)C(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 29916599 POWBXVPHZAFGGY-UHFFFAOYSA-N 476.603 0.471 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 518871830 PRVASSFLXPPFNC-GOSISDBHSA-N 466.494 0.982 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 523255680 BULGKQQLBAJHPE-UHFFFAOYSA-N 490.513 0.133 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CCNS(C)(=O)=O)c2=O)c1 589160235 CHNXIKZZEMGQFA-UHFFFAOYSA-N 477.608 0.976 30 20 JCED CCN(CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)S(C)(=O)=O 604103066 JMZFRVPZJSZZDE-UHFFFAOYSA-N 457.578 0.246 30 20 JCED Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)NCC#N 608869497 VNENFMFXQBLRJV-UHFFFAOYSA-N 487.563 0.815 30 20 JCED O=C(NCCN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1)c1ccccc1F 731202486 JZRFJIHAOYMRFI-UHFFFAOYSA-N 473.530 0.438 30 20 JCED Cn1cc(S(=O)(=O)NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cc1C(N)=O 916185679 OVZIJSOXYMGJIK-UHFFFAOYSA-N 481.556 0.228 30 20 JCED CCn1c(CCC(=O)[C@@H](C#N)C(=O)NC2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 916927539 WBTNKOSBXWGJDR-QGZVFWFLSA-N 473.555 0.997 30 20 JCED C=CCn1c(-c2ccncc2)nn(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1=S 918179873 HWRIAWFNSATBOY-UHFFFAOYSA-N 455.544 0.913 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnc3n2CCCC3)cc1 918271904 RDUSONZOLPIFFO-KOEQRZSOSA-N 459.532 0.682 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1 918757898 NQFAXLKKARRKRJ-UHFFFAOYSA-N 466.523 0.976 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCn3c(=O)nc(O)c4ccccc43)CC2)o1 918919190 GFGVYLYFABZCIM-UHFFFAOYSA-N 466.454 0.552 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC2)c1C#N 1205028177 VSTHYPOPALLJHZ-ZDUSSCGKSA-N 451.475 0.254 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(C)(C)CN(C)C 1288863905 UNPVILQEYUGXDP-RDJZCZTQSA-N 452.629 0.653 30 20 JCED CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1297677952 YGPVJGPAPCACCJ-UHFFFAOYSA-N 460.560 0.937 30 20 JCED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1544577248 YTNLZSNLOPZQPG-INIZCTEOSA-N 453.503 0.254 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1547765023 QSTDCYBHKJDOQV-UHFFFAOYSA-N 478.479 0.753 30 20 JCED CN(C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1552862232 NNZIHPMZWNIPNM-KRWDZBQOSA-N 453.613 0.939 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 1705687834 KJHKLUKMARJVPX-KBPBESRZSA-N 491.412 0.611 30 20 JCED COc1cccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1730219142 RSCUPIZGFTXWDK-LZQZEXGQSA-N 477.591 0.929 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1=O 1730786434 NTLMTFFHHJULCJ-UHFFFAOYSA-N 461.548 0.003 30 20 JCED CC(C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1761249198 JRGYUHHQLODBHR-INIZCTEOSA-N 467.596 0.656 30 20 JCED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 1767515208 LJPHAKFTGJQMSA-LAUBAEHRSA-N 460.560 0.419 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)n4[nH]nnc4n3)C2)ccc1F 1777821445 IRZNASWPCABHIF-WZONZLPQSA-N 494.487 0.194 30 20 JCED COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nc1Br 1779923056 NHEKYIRBQLUROK-SFHVURJKSA-N 452.261 0.384 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1780253156 QYUWSLOZXDRYOX-SBUREZEXSA-N 473.530 0.779 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)OC(=O)OCC)C1 1781509113 BPEKHKOXXHMKJO-SBBPMPNCSA-N 451.520 0.920 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784263145 LWZKFMBHSOIJFT-UJUVCNOISA-N 466.535 0.642 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1785375572 DJCYDLRNHHDLHU-XMMPIXPASA-N 465.510 0.915 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1785571215 BNVUAEFEJUWYHX-ZMPRRUGASA-N 450.536 0.244 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(=O)OCCO)C[C@@H]21 1788603244 LCCVRYJTFWOBOC-FOYCTJGDSA-N 486.569 0.901 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1ccccc1C(=O)OCCO 1789249437 HKOPILQHQSHTPN-FOYCTJGDSA-N 486.569 0.901 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)NC(=O)CS4)[C@H]2C1 1790452884 HEOOJGFNXTUXMS-DNUAJFIVSA-N 458.540 0.757 30 20 JCED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCC2)cc1 1791576256 VPJNADYJPUWFRX-CYBMUJFWSA-N 470.555 0.886 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN(C)C(C)=O)C[C@@H]21 1792261283 GRCQFVNFKQANFD-MUGJNUQGSA-N 478.590 0.751 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2 1793599372 UBXBCDLRNIAYSM-DFGXFYAUSA-N 483.635 0.529 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc(-n2cnnc2)cc1 1795493717 URRPACOUSLQERE-KDTMMWQRSA-N 451.531 0.942 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C(F)F)c1=O)C2 1797814862 BIUFTYKRNCFMAQ-PLTAZGFWSA-N 468.457 0.976 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cccn2)nc1 1798210289 DERKTJYBTOUPJQ-MZNTUGIBSA-N 450.499 0.329 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C/N=C/c2ccco2)N1 1798519657 KISGJJGCZZERKU-QYRMRLQDSA-N 487.582 0.517 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1)C(C)(C)S 1798734999 NHMNSRGDUDTUIP-DLTLXFJOSA-N 498.602 0.972 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NCc1ccc(OC)cc1 1800278229 BZJZPJMCEDIAKC-ZLWLXJDCSA-N 471.554 0.720 30 20 JCED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1800839847 OUHHLXVMEJLDOX-IRJINJETSA-N 477.533 0.899 30 20 JCED C[C@H](OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800871952 AZDIIIVJGJQHMJ-GPEJODLCSA-N 495.573 0.761 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1800878976 QHMKQWTWFMPSOU-JTJHWIPRSA-N 471.558 0.542 30 20 JCED COC(=O)[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2)NC(=O)OC(C)(C)C 1800911086 AFNFGXHOTQQVAC-JAAXMTQOSA-N 459.565 0.351 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1801989731 TXLOROFCQKZUIE-YVWYUNDQSA-N 451.439 0.329 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1802127460 POFOSNOXSSNLMJ-UMPJEAMMSA-N 475.502 0.008 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2 1802139999 YNZMJFYWQHDQJP-KTCAICRNSA-N 461.519 0.788 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1810331803 ONHNUEKGZAZMLP-QPPBQGQZSA-N 472.586 0.073 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810566253 QOODIQFYIYJAPI-ZAORYQQOSA-N 458.563 0.710 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)ccc2F)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812391923 IMADZINKYVYPAA-OXJNMPFZSA-N 467.457 0.955 30 20 JCED C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1)n1cnnn1 1813470948 OATQJQLEEMRDLS-VRRJMBDMSA-N 456.507 0.864 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1828585746 ZAYWWNAANIMDDO-MHECFPHRSA-N 487.557 0.698 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828923175 UHRUJXDONXCNTK-JOCHJYFZSA-N 476.555 0.787 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1)N1CCN(C)CC1 1829212433 LDFUPEVJMVECJM-HFZDXXHNSA-N 496.612 0.988 30 20 JCED C[C@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC#N)C2)C1 1829226698 NJPSOGNXRYWDGT-MBSDFSHPSA-N 455.515 0.877 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CS(=O)(=O)CC)C2)C1 1829259989 BKNSPRLIGHYHGG-QFIPXVFZSA-N 461.540 0.506 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829485502 JLSFQDAEBLFAGJ-XLKFECATSA-N 466.447 0.787 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1829762431 KEIQCDHHDLWZAY-YLNCNTMDSA-N 491.566 0.019 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1829769244 OWYXKWSEYRBNBW-RRFNBQSRSA-N 487.553 0.376 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC[C@@H](C(=O)OC)C3)CCO2)C1 1830716243 YUSQOLAWQUFGHK-ZHSNQQFMSA-N 452.548 0.605 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1831345953 SQOGYOWLFTWNDG-JTSKRJEESA-N 463.556 0.818 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831728725 FDJXWIHQROPQDX-MWTRTKDXSA-N 491.545 0.722 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1831998673 QRXUPDPKQWYFBJ-HXOBKFHXSA-N 493.561 0.846 30 20 JCED CN(CC(=O)N1CCC(N2CCC(NC(=O)CCc3cccc(C#N)c3)CC2)CC1)C(=O)C(=O)O 1833237740 OSLHHZGTYSBCSA-UHFFFAOYSA-N 483.569 0.605 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833570300 OINUWPFVAGPBTL-HRAATJIYSA-N 452.483 0.426 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c(O)n1 1833696582 JUFURJPUVBOUPL-QHCPKHFHSA-N 455.515 0.873 30 20 JCED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833714305 RPWDILKQJYYEFC-SFHVURJKSA-N 454.637 0.501 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(=O)oc2)CCO3)c(C#N)c1 1834596298 GWGDVULEWSTARK-XMMPIXPASA-N 467.478 0.833 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COC)CCO2)C1 1834974534 GLHDCNLQWXOLRL-VGSWGCGISA-N 455.552 0.949 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1835645019 NDRIAGXOWTUXTP-JOCHJYFZSA-N 487.557 0.817 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)cc1C#N 1835752475 QWEGGWCKTHOJSW-YADARESESA-N 487.557 0.008 30 20 JCED NC(=O)c1nccnc1C(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1836048240 MEIYPLHLTKNURJ-UHFFFAOYSA-N 460.538 0.812 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837318628 WKDISRCLOSEAID-BMUJQWSWSA-N 461.393 0.260 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1837402599 IKRWPCYDLPEXRM-LYXWCMDISA-N 464.559 0.771 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)c21 1837445127 FOUKSLZZVBJBHB-DXPRYJPLSA-N 484.557 0.821 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2)C1 1837502410 LDOGDPPBFFINIP-QFBILLFUSA-N 462.446 0.149 30 20 JCED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837527454 NRBQLGHYMDHTFD-KDGIGMFRSA-N 463.491 0.084 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1837529687 BNZFCFUWCIOLCX-KPSNGJBRSA-N 477.518 0.265 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837608842 KFNDKEULPYJYIG-XDHUDOTRSA-N 478.509 0.237 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838392763 IQJPCTGXTMVJPF-KBICDOOXSA-N 465.595 0.107 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1838774318 YLDAMKPSSLRHAM-LJQANCHMSA-N 493.557 0.709 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1)C(F)(F)F 1839049832 YOWSUKQFXPTCNG-LJQANCHMSA-N 453.421 0.847 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)cc1 1839361277 AIJCMEVCVQSROL-VWLOTQADSA-N 479.537 0.971 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)cc1 1839361616 UPFJOWHTAIQKEU-RUZDIDTESA-N 477.521 0.648 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361816 GGPDRZHBRCVPGA-DEOSSOPVSA-N 467.526 0.979 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423942 DRBZKLSPSXGDRJ-OYHNWAKOSA-N 477.949 0.989 30 20 JCED CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839489493 YZKBJFMDWWYWRR-PGRDOPGGSA-N 473.555 0.619 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839693138 LXQICASUIHEBGJ-MHZLTWQESA-N 496.608 0.538 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039921 JYIWSWZRPMFUDU-ZHRRBRCNSA-N 465.503 0.000 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)CCO2 1840345040 XLMBTOPFLCHHTE-FDDCHVKYSA-N 477.562 0.878 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1cccnc1)CCO2 1840453011 KKNBMDXVPQCYQT-WZONZLPQSA-N 461.515 0.815 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840799223 ORSJQNWAVVYKRQ-NTKDMRAZSA-N 457.527 0.301 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840844055 BIDVOJGSUQZONU-GAJHUEQPSA-N 481.546 0.313 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1840906953 MVKFAROIUOUJNT-DVECYGJZSA-N 489.573 0.715 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844297191 YAFZLMFCFJTUGA-HKUYNNGSSA-N 466.579 0.700 30 20 JCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1 1846211619 FHXDDXTXMWOJHE-HZPDHXFCSA-N 451.520 0.685 30 20 JCED COc1ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1S(=O)(=O)N1CCOCC1 10473788 ABIQAPJUCQSFEG-FQEVSTJZSA-N 453.517 0.927 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(C)ccc1C 502044761 OWBAKEYZIRDTPM-MRXNPFEDSA-N 451.552 0.904 30 20 JCED COCCN(C(=O)CN1CCN(c2ccccc2C#N)CC1)c1c(O)nc(=O)n(CC(C)C)c1N 507301557 FTVSFXQHWMSWJK-UHFFFAOYSA-N 483.573 0.860 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)NC[C@H]1CCS(=O)(=O)C1 509733076 ZEJNPHNZXAVBQO-CMPLNLGQSA-N 453.464 0.795 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 514919840 YMRMDGLGEDQVTM-UHFFFAOYSA-N 482.562 0.500 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2)CC1 515987761 QQPGSMFCGPOUEG-UHFFFAOYSA-N 482.566 0.768 30 20 JCED CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 516012693 SCKOPJDRVVQGJG-UHFFFAOYSA-N 469.523 0.732 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OCCOC)OCO3)c(=O)n1C1CC1 518844453 MTIRGWKFSNTLNB-UHFFFAOYSA-N 469.519 0.804 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)o3)c(=O)n2-c2cnn(CC)c2)CC1 523579838 IREJECZDUCIJJL-UHFFFAOYSA-N 466.567 0.684 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1-c1ccc(OC)nc1 524275294 WNMLEHYFEKSZQN-UHFFFAOYSA-N 456.549 0.938 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1C1CC1 590998079 CSXWNSHOCRDUKW-UHFFFAOYSA-N 490.532 0.798 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1 603779034 PTEPRNIUCKNMHJ-UHFFFAOYSA-N 479.518 0.663 30 20 JCED C=CCOc1ccc(C=c2sc(=CC(=O)OCC)n(CC(=O)N3CCOCC3)c2=O)cc1OC 603783929 TWZWGVHDBSJRDD-UHFFFAOYSA-N 488.562 0.514 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(OC)cc1 603800275 KBXVNSSYSKHKEG-UHFFFAOYSA-N 450.520 0.627 30 20 JCED CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)c1 604472851 KTGZFDSAOJSWIW-UHFFFAOYSA-N 484.578 0.147 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577760 VEHSMTHEAKUTNJ-UHFFFAOYSA-N 450.524 0.198 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 728534792 VKTGUAIPOYZDHV-UHFFFAOYSA-N 486.506 0.870 30 20 JCED C#CCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 730725920 WWDIQUYPIUKWGM-GUYLDNPGSA-N 458.525 0.586 30 20 JCED C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1359139643 ZMTKCCPFSHLKNC-IBGZPJMESA-N 489.602 0.786 30 20 JCED C[C@@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C1CC1 1360728610 OTCVVLJSDWPGHY-YLJYHZDGSA-N 452.581 0.902 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(F)c(F)c2)C1 1505139637 ROSTVYBAAKXZOY-QAPCUYQASA-N 482.513 0.861 30 20 JCED N#Cc1ccc(CSCC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 1586759395 QWOZPUBZBHOFCG-SFHVURJKSA-N 450.586 0.239 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1596675655 WBVZCVYUZNXUQW-OFNKIYASSA-N 469.546 0.137 30 20 JCED CC(C)[C@@H](C#N)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 1642570879 LAIXMHJTIZWGON-LJQANCHMSA-N 451.568 0.824 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2cccc3c2NC(=O)CO3)CC1 1652755030 RGJKATLASAVROO-UHFFFAOYSA-N 456.480 0.801 30 20 JCED C[C@@H]1CN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCCO1 1693849924 OJSDZNQHIFIHIM-GUDVDZBRSA-N 483.639 0.850 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1723654174 UTFZEYGKKYKMJA-XMMPIXPASA-N 466.590 0.530 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1748288992 URUCKBDFKAUDPE-BEFAXECRSA-N 482.563 0.579 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CNC(C)=O)C1 1749086766 NZDNYMJPEFHPOJ-DGCLKSJQSA-N 465.374 0.138 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778892881 MWWSWKAWUDLPKX-VEVLKRQGSA-N 451.398 0.451 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017476 QBILYHUVFORFCU-IBKIDLIOSA-N 481.594 0.828 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4ncn5c4CNS(=O)(=O)c4ccccc4-5)C3)C2)CC1 1779948405 WIIXGWICSWRTBD-QHCPKHFHSA-N 496.549 0.411 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780938814 PLBVIRWSKPMCHJ-YCRPNKLZSA-N 463.560 0.522 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(C)C(=O)C(=O)O)C2)c1 1781543730 ZDDSZSRTNHGVLR-WZONZLPQSA-N 456.499 0.537 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1)c1ccccc1 1783257939 JRTPDJYNDQLHRI-DHLKQENFSA-N 457.571 0.300 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnnn1C)C2 1783267858 GCXDQRAMMYPPHR-JTUHZDRVSA-N 474.562 0.859 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)[C@@H](F)C1 1783558191 POOQGEHWQLHVFM-ZMPRRUGASA-N 467.494 0.499 30 20 JCED COc1ccc(Cn2cc(CC(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cn2)cc1 1783558255 VRTPGSBESRAMLV-XMMPIXPASA-N 466.494 0.400 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(I)c1)CCO2 1783562892 JVCSAXRICHUPLY-GOSISDBHSA-N 468.247 0.823 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1783862875 RAIKTKAAMPFPHZ-CTENRWPPSA-N 491.676 0.946 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OCC)C[C@@H]21 1784785644 MFSFRJMDAUCRQA-BRFLTPSNSA-N 498.577 0.500 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1785578419 ZKIRXXYZGIGMEZ-AOMKIAJQSA-N 481.619 0.217 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788628005 PGISTHIKXKKLPE-FYQPLNBISA-N 455.559 0.955 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077680 DCAQWIYJGOJKAU-FJIDUMEYSA-N 463.531 0.844 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3Cc4nccnc4CN3C(=O)OC(C)(C)C)[C@H]2C1 1791532248 FWDSTEQBTLVEBM-FVCZOJIISA-N 469.542 0.751 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1792266596 LVVPNXDFDMILLS-ZEBXBMNNSA-N 465.551 0.104 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)Oc1ccc(C)cn1)C2 1792489709 KCNYWKSXCMMMQW-SWFHQTGMSA-N 456.543 0.995 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)C1 1792631181 JCWBFHQZQLFJKX-ADHGMGHFSA-N 464.563 0.744 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1793359021 IIROQOHJWYAHNU-JNNRSPCRSA-N 490.582 0.022 30 20 JCED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1793577522 GESCRNGVQXYUNU-XCDZQEORSA-N 478.615 0.788 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597398 HYQTZJFOLMPWER-NXOAAHMSSA-N 451.568 0.771 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1795599110 VAFLFQLAILTENY-CWPLJXCYSA-N 455.515 0.503 30 20 JCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cn3c(nc2=O)SCC3)cc1 1799072666 ZOIATBFKPUXHQA-JHDGKUDLSA-N 493.589 0.986 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(Br)ccc1O 1799252819 WDESWXPRDHWKBQ-DBWKPXFBSA-N 451.273 0.375 30 20 JCED COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1799384042 MMLNGJKSPXECTG-OPVJXMOQSA-N 455.552 0.212 30 20 JCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccc(O)nn2)cc1 1800203877 CALQJFQVUXRHBI-FEJSZKPUSA-N 451.483 0.655 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3nc(C(F)(F)F)[nH]c13)C2 1800778239 IKCRTAAABMVCRL-CULMDFNYSA-N 450.373 0.873 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](C1)C2C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778677 BEYOUPVBXBSQGX-MEMBVSNKSA-N 489.569 0.947 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 1800872016 CFTUPZFMMCUGNP-FLTUCWPJSA-N 476.020 0.916 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@](C)(O)CC(=O)O)c(C#N)c1 1801007269 ZBQUUFGBOWMJAN-TXKCWOHGSA-N 459.499 0.315 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2)c1ccc(O)cc1 1801055692 HKJRDINVTPKTIU-UGLIKIROSA-N 456.543 0.072 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1803564893 KYCCOMMSBZVJAX-OXFYSEKESA-N 452.515 0.932 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)cc1 1804184339 XBEQKHKPOWZBBY-WMZHIEFXSA-N 460.494 0.754 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1804373185 LERWUTVHQRZLOC-FCGDIQPGSA-N 496.630 0.272 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)CN4CC(=O)NC4=O)C3)CC2)c1 1806696515 UDWRRNXWFAOJSX-UHFFFAOYSA-N 453.499 0.963 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]3c3cccnc3)c2c1 1807048266 BFOHUVYCAOSMRM-NRJQMVOHSA-N 474.525 0.742 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@@H]1c1cccnc1 1810339867 WLFSNWUAGLCZFZ-IDCXYZFESA-N 459.499 0.621 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810361242 PGNZWXLGXBPAGF-RFJFVTJISA-N 481.513 0.819 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)C[C@H]1CO2 1812877982 QZULHSNIWDNCOE-GQKWOBABSA-N 498.536 0.954 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1819452251 HSAIFVJZUYZEFS-VBZSBEMESA-N 472.439 0.656 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820022594 UJKQAFPAAWQJBK-LMVHVUTASA-N 452.475 0.463 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)cn1)CCN2C(=O)OCc1ccccc1 1828758701 SRNHGIXFUXSKIF-RUZDIDTESA-N 492.488 0.941 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1829348039 IYPRNNRWTOJNPC-QFQXNSOFSA-N 497.596 0.835 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1829773763 UQBXIZOGDGZTDP-KWQGRVAKSA-N 484.553 0.317 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1830056636 JMJSSLOXLDQQRV-QHCPKHFHSA-N 453.499 0.785 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)c1 1830459330 VEHMOIXVIKPTLT-JOCHJYFZSA-N 459.572 0.964 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)c(C(F)(F)F)n1 1830579779 HYQHYGBHFSQDRO-IELXDLANSA-N 468.432 0.813 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)n1ccnc1 1830986860 GWSNYOYBQWALGI-WZONZLPQSA-N 453.499 0.851 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1831396700 PXEPLHCGAVJFFK-GAJHUEQPSA-N 453.499 0.580 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1831426417 LFQGPDFOQSWHMU-UWJYYQICSA-N 452.577 0.999 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831687710 QZLQWVVWMJIZJC-XMMPIXPASA-N 456.543 0.719 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1831999663 ACKFINSSIQOJOR-PNLZDCPESA-N 468.551 0.047 30 20 JCED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)CCC1=O 1832370638 KQCBNZQYNIKFCG-XMMPIXPASA-N 467.526 0.555 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833024595 UGYDYKWWQICXPL-NYHFZMIOSA-N 478.571 0.368 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)c(=O)[nH]c1C 1833389859 RYSAETMTHKTFNI-QHCPKHFHSA-N 451.483 0.642 30 20 JCED CC(C)N[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)C 1835675030 UEMJENIVZRTKMT-AUSIDOKSSA-N 451.612 0.747 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1)c1ccccc1 1836135914 DZJQEXSOHJCZQP-ZJSXRUAMSA-N 451.527 0.932 30 20 JCED CCc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1F 1837441033 NQHJKZCJHAJQNA-OVRHDEQLSA-N 450.515 0.653 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1837490456 FNFRWMICNKNIHY-NAZDKBRTSA-N 459.587 0.482 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837527809 WTTPZNYMABYLST-UZBYXMDDSA-N 452.552 0.458 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c(C#N)c1 1837797409 KRVIHIBLNMAPFP-JOCHJYFZSA-N 484.469 0.511 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(-c3ccccc3)s1)CCO2 1838186517 MDGAWTCRGMZHJE-JOCHJYFZSA-N 455.492 0.968 30 20 JCED C[C@@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131152 PHODWBUCYXYALE-HXOBKFHXSA-N 480.562 0.364 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5nncn5c4)C3)C2)c(C#N)c1 1839132946 UOITXUTZGVUOMO-VWLOTQADSA-N 490.520 0.922 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839212602 FNURNFNSMKNXAU-RDPSFJRHSA-N 454.527 0.568 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1839225484 KRKOMJDCWDDPCJ-HJPURHCSSA-N 458.515 0.801 30 20 JCED C[C@@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401053 ODAOKVTXNONGHH-JLTOFOAXSA-N 479.331 0.525 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cccnc3)NC(=O)OC(C)(C)C)C2)C1 1839806893 GHBDMHBKDXRBSJ-DVECYGJZSA-N 472.542 0.607 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)c(OCc4ccccc4)c[nH]3)C2)C1 1839807396 XXLVPSPGUBLIER-DEOSSOPVSA-N 451.479 0.657 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(N(C)C(=O)OC(C)(C)C)nn3C)C2)C1 1839808418 QNABKMUXGPQQJG-QFIPXVFZSA-N 461.519 0.495 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)COc5ccccc5C#N)C4)C3)(C1)C2 1840006395 FMKIJAVEXODXCI-STEQJIOHSA-N 483.521 0.737 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)C2)C1 1840010876 KSLTXAFWTCKYLJ-DEOSSOPVSA-N 491.541 0.178 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)[C@H](F)C1 1840039862 IVSAELJZGRACNP-QZMQVMSPSA-N 497.520 0.126 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1840164540 NDUMLAUWYDVKBZ-VTGKMIRISA-N 499.630 0.520 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)n1cncn1 1840416069 YVBQDGQCZCJOQS-FDDCHVKYSA-N 452.515 0.800 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)cc2C1 1840815340 KCKXKOYJIQGRIH-QHCPKHFHSA-N 456.547 0.482 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816496 WUIOUGWBPFRWFD-JOCHJYFZSA-N 453.536 0.206 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n(C)n1 1840818479 FANJHOIZZKNDLM-HSZRJFAPSA-N 469.498 0.449 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840819775 DWVHYLLNFLXYDQ-JOCHJYFZSA-N 456.455 0.188 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840882570 KIIVHHMKJISHNM-VGOFRKELSA-N 482.534 0.203 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1840906755 JIOAQHDGGFRXBC-ZHRRBRCNSA-N 461.519 0.396 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843009268 CMGALOWETMEPRZ-INIZCTEOSA-N 497.556 0.931 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843809316 UKXIIQVEKURFGU-MRXNPFEDSA-N 450.499 0.961 30 20 JCED CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 509833965 HSTFVUHIIGSPCI-GOSISDBHSA-N 468.601 0.985 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCc2ccc3c(c2)OCCO3)c1=O 524266581 LJEPFDWSIYXLLR-UHFFFAOYSA-N 491.573 0.783 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCNS(C)(=O)=O 524282053 OEEWKSRRIMXWIN-UHFFFAOYSA-N 468.988 0.140 30 20 JCED COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3cc(S(=O)(=O)N(C)C)ccc3=O)CC2)cc1 583284235 UEJKLUZOKSNZBV-FQEVSTJZSA-N 473.555 0.516 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)cc2)c1=O 603792858 MEGOGPCMBFYNPN-UHFFFAOYSA-N 454.552 0.056 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)cc1 604270037 CHEPYIXUVGWBAQ-UHFFFAOYSA-N 482.562 0.346 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)nc1 608884516 KLOZDJRDZPRMGT-UHFFFAOYSA-N 451.508 0.353 30 20 JCED Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCNS(C)(=O)=O)c1 727163597 DVEARMDICVYTCX-UHFFFAOYSA-N 485.591 0.195 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)Nc2c(C(=O)OCC)cnn2-c2ccccc2)CC1 728573284 VXYFZFHQEOFOBX-UHFFFAOYSA-N 452.515 0.355 30 20 JCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN(S(N)(=O)=O)CC1)CCCC2 915217032 VPQIGVQDUWIFJC-HNNXBMFYSA-N 450.565 0.177 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(C4CC4)nc4c3c(O)nc(=O)n4C)CC2)o1 915388306 WSVISAYFGZQPHU-UHFFFAOYSA-N 493.480 0.585 30 20 JCED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 916903418 SFXDRHBJMPSIGH-LLVKDONJSA-N 458.862 0.752 30 20 JCED C=CCOc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1OC 919986464 NLMGTLYFQWSSFY-FZMUQLTDSA-N 484.596 0.934 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1286863810 VSRLRDHKTPOILK-ZWOKBUDYSA-N 483.570 0.311 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(F)(F)F 1288863849 SKROBOODPNIYMX-RYUDHWBXSA-N 473.485 0.827 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359150970 JQOCOVIJICGKSC-KKUMJFAQSA-N 458.972 0.611 30 20 JCED C[C@@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C1CC1 1360728607 OTCVVLJSDWPGHY-FXAWDEMLSA-N 452.581 0.902 30 20 JCED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 1539606954 UUKNBWGCXNLNAR-UHFFFAOYSA-N 454.373 0.519 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C1CC1)N(C)C 1611705779 YUVCJABZAVUNLA-VQIMIIECSA-N 487.634 0.822 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H]4CN(C(=O)C(F)(F)F)C[C@@H]4C3)CC2)o1 1617918166 LHBMLAWFKBOBEA-GJZGRUSLSA-N 454.453 0.846 30 20 JCED CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)CC1=O 1618480646 WVQFNRSEADWQGH-UHFFFAOYSA-N 475.600 0.474 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 1624676756 RHBWQZALYKLPBU-AWEZNQCLSA-N 450.542 0.792 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(CCN1CCOCC1)[C@H]1CCSC1 1628857257 RQNYLVCICNAICX-INIZCTEOSA-N 452.602 0.782 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 1652905862 UMVQEVQUCFLVAG-HUUCEWRRSA-N 455.544 0.484 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1665829366 LWVDKAHNKGYOQL-UHFFFAOYSA-N 453.503 0.786 30 20 JCED CCCN1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1728124934 IUDFDLZPNLVWQD-SQGPQFPESA-N 469.587 0.785 30 20 JCED COCC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769561121 RIMTYCBSYZDKCI-KNBMTAEXSA-N 452.581 0.144 30 20 JCED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1771539331 UIQARBGJYDJAHS-CQSZACIVSA-N 454.457 0.256 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1778969507 NTDHOVRHGDZWSP-KKFFFLSNSA-N 481.590 0.760 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)Nc2cccnc2)C1 1779483751 NKWVRCWFIUGWKL-AWWPTUBISA-N 455.515 0.392 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1780438220 GOSYUSDDGCGOMH-MWTRTKDXSA-N 475.546 0.789 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CN3CCOCC3)C4)c2c1 1781204933 PXCZOEJHEMROOB-HYBUGGRVSA-N 466.542 0.894 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2Cc3[nH]nc(C(F)(F)F)c3C2)C1 1781590670 DYNNEJCEUCYHGI-ASNKJTAVSA-N 468.432 0.745 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)C[C@@H]21 1783531291 MZLGFALRTJGZOU-DHHFMQQHSA-N 486.525 0.984 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c(-c3ccccc3)nc3sccn3c1=O)CCO2 1783562182 HMXDKJJKXKLVTI-DEOSSOPVSA-N 492.513 0.955 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)cc1 1783603603 ODCMRIQBXCUZPZ-LNLFQRSKSA-N 461.482 0.125 30 20 JCED COCCOCCOCCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1783666444 MXOWAPQTFWUKII-ZBWFQAOJSA-N 471.551 0.415 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1783883275 GNVCZIIHYWISIK-DSFVOBFGSA-N 498.552 0.980 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1 1783919885 OMWZHWGQWHCQCF-SZMVWBNQSA-N 467.913 0.874 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1784446570 XQNWYTPSAJDSMR-OQRYQMPQSA-N 492.598 0.417 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1785429335 CJDXKCCIXOBGLO-OJZVVMIASA-N 499.564 0.627 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1785575027 XAHZLKSCIZRDGM-GAJHUEQPSA-N 462.547 0.355 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1785578316 WRUOOGAEUKSCRP-VGSWGCGISA-N 460.535 0.415 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)C1 1785596292 OZUBLJGWSXFKNH-ZBWOKKAISA-N 496.561 0.350 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786648439 FXSZWBFLGOMHGK-CKOFKNITSA-N 485.603 0.480 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787499405 BEHJVMWGFMNDFQ-RLBJMNPOSA-N 495.565 0.830 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1789769716 QCCNENVURTYIGV-JGDVACIGSA-N 459.591 0.839 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C[C@@H]21 1791276672 XPRPRNJIYZYGTO-BPUTZDHNSA-N 460.556 0.397 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)c1 1791396561 MYXWOSGZMORJOU-TTYHFUOFSA-N 450.495 0.832 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)OC(C)(C)C)C1)C2 1792489289 OEYBXKWZFJUTGR-WQUHTSSASA-N 462.547 0.301 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1792837443 SPKGCVAMPDXTGI-ZSBFGKGUSA-N 457.836 0.960 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1793354293 QOYBXDYEEOLYAK-YQYRJILISA-N 469.538 0.782 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)NCC)C2 1793597334 MEWYBPITIUGUBM-UYTYNIKBSA-N 481.594 0.753 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)ccc1Br 1793944405 UVYBXVVCSUAKNA-YXPYIKCWSA-N 490.314 0.122 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cn[nH]c1 1794067013 KNFWOUNVCQQWSU-DMUMMCEESA-N 459.547 0.849 30 20 JCED Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)c(C)n2n1 1796926434 WAXFWPXPWVDZLE-SFZCGBOASA-N 471.518 0.473 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1c(=O)n(C)c2ccccc21 1797171733 QJSSGRHNUDQLEW-FEJSZKPUSA-N 456.543 0.912 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1797584276 KDVGBTRFJXBHLW-VLWCASSMSA-N 450.879 0.479 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNCP(=O)(O)O)C3)c1Cl 1798590439 XNTNITJMJFVFPY-FVCICTRLSA-N 456.823 0.140 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC=O)C2 1799322816 PMMROIASNOWGQA-AVEIZBFRSA-N 452.552 0.570 30 20 JCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(Br)cc(F)cn2n1 1800126315 BZTNDOCZDHZUFH-WDAIWFPHSA-N 451.256 0.748 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2)c1ccc(O)cc1 1801054199 NXMLCHZMWOIQSL-BCOJKNMUSA-N 456.543 0.926 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4c(O)nnc4O)cc2)C3)CCC1 1801985177 XNBCALAMJOXGHO-SCAQPMJSSA-N 452.471 0.576 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 1802024721 UPPPZBOPYRSTEA-XBIRKDKFSA-N 461.559 0.871 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC(=O)NC)C2 1802283676 WBVDUBZOKJJQTQ-YVSFHVDLSA-N 495.577 0.566 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1807147385 IYGMGTZSACJWJF-UFYCRDLUSA-N 458.563 0.020 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)CC1 1808164330 CUAHPVANVQUVNR-AABGKKOBSA-N 499.616 0.914 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1810288731 KEQQFQPMVGNPDS-IUCABKQXSA-N 458.519 0.102 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]1c1cccnc1 1810339868 WLFSNWUAGLCZFZ-NMSZZDKCSA-N 459.499 0.621 30 20 JCED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1)C(=O)O 1810356608 JZRHOHLULIMHLD-PPOMLEFCSA-N 461.519 0.679 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1812350906 HQYJYHALXKGQBV-UWJYYQICSA-N 467.530 0.944 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)NC(=O)c3cnccn3)sc2C1 1820021649 UJCXXXUUEZVSTR-LAYDCRAFSA-N 483.554 0.522 30 20 JCED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](O)N2CCOCC2)CC3)c(C#N)c1 1822809487 YQUJQTZALINYHD-ZHRRBRCNSA-N 485.566 0.829 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)CC)CCN2C(=O)OCc1ccccc1 1828572244 SVIUTGMPJSGPJX-MHECFPHRSA-N 454.527 0.986 30 20 JCED CCN(C)[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829335184 WRAXQBKPXAQFJK-UQBPGWFLSA-N 484.553 0.867 30 20 JCED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)cccc1=O 1829630157 VFFOCJHFOUPAOI-RUZDIDTESA-N 464.522 0.960 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccnc(C)c3)C2)C1 1829764639 RIOSIAIJMKRCNW-RULWIFSWSA-N 456.543 0.637 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830050666 NZSWOMOWNMUGEV-SBUREZEXSA-N 478.546 0.571 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)n1ccnn1 1830463369 ZPDACTPELFMCDQ-MBSDFSHPSA-N 452.515 0.800 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C(C)(C)C 1831093662 MZSBSZRPYXJKLY-WIOPSUGQSA-N 486.569 0.944 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831200747 MYNLPJCCCYGCFY-LRHHQANISA-N 468.551 0.278 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(=O)OC(C)C)C2)C1 1831386521 HJOIKWGQOIAXQM-HOYKHHGWSA-N 473.526 0.755 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1831428031 XPZGZBPZFSQXJX-QVKFZJNVSA-N 464.475 0.660 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1831486750 GSYRJUSIJDZVAU-DYESRHJHSA-N 451.545 0.877 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1831486773 HJGLZGNDCLXNKI-WIYYLYMNSA-N 485.628 0.651 30 20 JCED O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccc[nH]1 1832878456 FGBSMFXGGABSSQ-RUZDIDTESA-N 486.569 0.290 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833621342 BIZIVRVXNRYMFO-DEOSSOPVSA-N 483.525 0.847 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CCNC(=O)c3ccc[nH]3)CC2)CC1 1833799206 RIDFIXJSYKYJMG-UHFFFAOYSA-N 485.633 0.988 30 20 JCED CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1834719061 LYUXITYKXXMZJQ-IBGZPJMESA-N 450.289 0.980 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834753312 FJTZPKUOZBUZMV-JJEOQYAHSA-N 480.562 0.364 30 20 JCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834913406 MVIQOLBLYONOFP-GFCCVEGCSA-N 455.606 0.342 30 20 JCED Cn1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1Cl 1835677192 ARXVBNHFOLXFER-FQEVSTJZSA-N 452.943 0.425 30 20 JCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677721 VRTDHSBPZWMRIH-HSZRJFAPSA-N 469.546 0.390 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1835677933 RHEIOGDJJPWUGB-DEOSSOPVSA-N 481.557 0.824 30 20 JCED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835679825 AKNWVJVMGBHEGC-QHCPKHFHSA-N 489.529 0.961 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1837175307 SGMFBCLCAWZMNT-CQSZACIVSA-N 472.498 0.079 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837405286 LOKQGUSRVIVPPC-RDPSFJRHSA-N 457.527 0.967 30 20 JCED COc1ncccc1CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441272 YZCWHKJSYIZCPQ-NHVVDLMHSA-N 473.574 0.951 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491668 SNHXRRDXJFLKGP-SQJMNOBHSA-N 470.570 0.106 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1837560478 XFPXTEIDUAWMGO-XIPYGMLFSA-N 479.383 0.510 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(N(C)C)c1)CCO2 1838922597 COTUKWOCWPBBRW-XXXZYALBSA-N 456.543 0.681 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2ccc4ncnn4c2)CCO3)cc1 1839047242 GKSWAZITYWOHKC-VWLOTQADSA-N 474.521 0.843 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)CCC)C2)C1 1839174865 BCOKXOBHENFTJR-JTSKRJEESA-N 453.536 0.257 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2ccc(F)c(C#N)c2)CCO3)no1 1839187585 LIGQGPHROUSIDX-DEOSSOPVSA-N 499.499 0.423 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839223201 OXAUGNNVTBKRLS-VGSWGCGISA-N 461.519 0.069 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423810 YHFXQPWLEZLGAM-UTKZUKDTSA-N 463.922 0.729 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488584 ZSJCBMNGVOJLOM-UPCLLVRISA-N 482.541 0.809 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840016235 RELBCOUGHDQICF-IUKKYPGJSA-N 465.547 0.538 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)NC(=O)OC(C)(C)C 1840111831 MFPTTZSRBALUFF-WAIKUNEKSA-N 494.545 0.203 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1840175880 KAFBSNOUDNTQMC-RTFZILSDSA-N 467.563 0.779 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(O)cn4)CCO3)C2)c(C#N)c1 1840497997 ITSBROPPBHFKLK-VWLOTQADSA-N 480.521 0.909 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1 1840713783 IYBRFMDUMDOBJS-IQMFZBJNSA-N 467.482 0.899 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1840820777 JQSLCXLYFXTLSQ-RUZDIDTESA-N 478.505 0.806 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1840907517 XJVAAUNHLPXLAP-RLSLOFABSA-N 492.617 0.844 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1840908999 LFJJQXNHCPFBIX-OHUGHZGNSA-N 492.617 0.701 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1841610613 RZDPVSBZXXFLMI-AWEZNQCLSA-N 460.556 0.636 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](COC)NC(C)=O)C2 1841747433 RPFNYPKYEICRNZ-IRXDYDNUSA-N 452.552 0.810 30 20 JCED O=C1CN(c2cccc(C(=O)N3CCCC34CN(C(=O)C/N=C/c3ccco3)C4)n2)CCCN1 1842305332 YGDTZPXQANYTHB-DHRITJCHSA-N 464.526 0.937 30 20 JCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C1 1842872725 AHOBLQOJEWYGTH-ZIAGYGMSSA-N 456.613 0.665 30 20 JCED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1)NC(=O)OC(C)(C)C 1843236087 VOUHLZBBUKMERU-CQSZACIVSA-N 486.533 0.489 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1847069550 NMMGKIRPWPNARI-INIZCTEOSA-N 460.491 0.911 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)cc1 502314685 QHALVAKDHQCMDU-UHFFFAOYSA-N 477.568 0.818 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)c1 517116544 VOSADRYSPWQNLJ-UHFFFAOYSA-N 484.538 0.261 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCNS(C)(=O)=O 521527170 GKEKCSSQCHYYAF-UHFFFAOYSA-N 480.587 0.326 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(N)=O 524281918 GYPIGLBWBBMWDG-UHFFFAOYSA-N 483.377 0.748 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(CC)cc2)c1=O 603792920 OVODWRRRLHOWLW-UHFFFAOYSA-N 452.580 0.610 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(=O)N(C)C 604269852 GGQLEGRKAHBQGC-UHFFFAOYSA-N 493.589 0.592 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3sccc3C)c(=O)n2CC(=O)N(C)C)CC1 604270218 UCOZDOCWDUAFLN-UHFFFAOYSA-N 473.624 0.035 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(N)=O 608911384 CZWCKBGHRIKVLN-UHFFFAOYSA-N 461.341 0.283 30 20 JCED Cc1cc(NC(=O)CN2CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC2)no1 725769336 TWYCLCLFHXXPCT-JOCHJYFZSA-N 451.487 0.836 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3c(C)nn(C)c3C)c2=O)cn1 726961288 HENHZVSGYVOMJV-UHFFFAOYSA-N 452.540 0.681 30 20 JCED C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C(=O)N(C)CCC#N 729756669 HKUIKXZJDPYSAR-QGZVFWFLSA-N 494.570 0.461 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccccc1Cn1cccn1 853663388 BJXHGJZPOXEPLH-UHFFFAOYSA-N 467.507 0.941 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(-n3cccn3)nc2)CC1 878536614 CLGQAJOKHKNSQU-UHFFFAOYSA-N 480.506 0.829 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)cc1 914564856 HRJFBWSATWZDIP-UHFFFAOYSA-N 467.551 0.687 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 917202192 VGGHHUQVYUMBKR-KRWDZBQOSA-N 475.571 0.233 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(Cc3ccco3)CC2)cc1 918986490 NGZMPJVCJQZVPX-UHFFFAOYSA-N 460.512 0.973 30 20 JCED CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 919649918 OAOKOPVARAJUDA-HNNXBMFYSA-N 453.521 0.108 30 20 JCED CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1315067404 SFQBSDNDWWLMEV-MRXNPFEDSA-N 476.538 0.116 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1517627314 MNPVWQCCFOMQNW-MRXNPFEDSA-N 452.562 0.379 30 20 JCED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 1555406509 TUMILZDPGVXPFL-PXNSSMCTSA-N 470.530 0.828 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 1690866506 UIUYGJITSDTFAR-KRWDZBQOSA-N 473.603 0.850 30 20 JCED COC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)OC 1712156726 GHNFEFNQAZOVPD-HOTGVXAUSA-N 456.569 0.402 30 20 JCED CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1764555879 ZQLPOHZUSMRKJQ-UHFFFAOYSA-N 475.575 0.727 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1770362232 XRMKMWGGTAZWII-HXUWFJFHSA-N 489.602 0.579 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1778370778 JFPGGXNHGXJWSE-LHSJRXKWSA-N 480.591 0.791 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1778967534 LLVMIXYCWYBIJE-DYESRHJHSA-N 451.545 0.502 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](O)N3CCOCC3)C2)c1Cl 1779416046 KDVZTNHENNXGBB-YFXJRYMSSA-N 476.961 0.990 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779952249 DEAQLTIDHDNQRS-QHCPKHFHSA-N 470.551 0.898 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1)[C@H]1SC(=N)NC1=O 1780179634 GWKPSUBQCBLFEH-AUSRVFDOSA-N 458.544 0.816 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1781168898 XJPHTSLFWIRFRO-GGUMNFRJSA-N 494.589 0.576 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1781270568 PHGXLDKJFILHIQ-QFIPXVFZSA-N 455.471 0.042 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781493773 JHQBVQWRTLLKFZ-OPAMFIHVSA-N 462.503 0.584 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781902690 DKMYMUWYAQXKKZ-GHTZIAJQSA-N 493.358 0.915 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783288333 JIGIDZOFMCZELV-QZTZHPFYSA-N 493.605 0.865 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2)c1ccc(O)cc1 1784014775 RUAHMJADOXZBRZ-UQBPGWFLSA-N 465.506 0.644 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1785572366 NGPMJZKHFHAZLS-NYHFZMIOSA-N 459.503 0.542 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368777 PDXCNNHXMWDGOI-JONQDZQNSA-N 452.508 0.336 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1 1788093029 OQUSMCLRFVNFHO-FCMAGTKHSA-N 475.586 0.997 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1789090917 UPOSYLQQSKFLNQ-SZMVWBNQSA-N 467.913 0.874 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]32)c1 1789258865 XYMAYQZVAGEVJN-MQGJPIDWSA-N 487.509 0.655 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CCC4)C[C@@H]32)C1 1789809335 HMWKZFUAYPRPFY-OYSTVDSJSA-N 476.574 0.888 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)C2)C1 1791029085 QFYXMDCBMPIGDM-SZMVWBNQSA-N 475.542 0.701 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1792255265 CLCUDQYPOWSHNV-HAGHYFMRSA-N 494.658 0.932 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1792530359 AHSWWXINGHVWIM-RXNNHNSHSA-N 491.585 0.498 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C2 1793349534 AOVFTNZTOFZWDP-WERVVEIQSA-N 478.590 0.167 30 20 JCED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1795420654 RRDWCZSUDRQXNC-AINOVGTFSA-N 470.526 0.652 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1797809018 YAEJMFYPLSVJGS-YWVZOEBSSA-N 469.388 0.460 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1799232651 WZZBUWZZCCSQIU-YYAJDYIMSA-N 475.546 0.149 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1799325246 ZCHGCJHPORYHIS-DFBDCSAJSA-N 477.566 0.683 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(C(F)(F)F)c1 1799785279 AUOZMGRLMAACOQ-KPEUIFRASA-N 484.431 0.845 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC(=N)N)C2 1802125163 SDNCHOWDOIDFFL-HLPPOEQASA-N 453.565 0.119 30 20 JCED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@@H]2c2cccnc2)C1 1802405475 KGMASFKKTYZLFI-YLJYHZDGSA-N 491.552 0.501 30 20 JCED C=CCC(=O)N1CC[C@@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1804389907 KQAMIUDUDIXAEM-QFBILLFUSA-N 465.514 0.111 30 20 JCED C#CC(=O)N1CC[C@H](CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)[C@@H]1c1cccnc1 1814262244 BTUHYVBZNMREJW-GCJKJVERSA-N 469.542 0.800 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC3CC3)n[nH]2)n(C)c1=O 1815115719 ZLDIUCARXQPMJE-MRXNPFEDSA-N 478.513 0.263 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817297872 JVCSFCOHDNWHRO-UKRRQHHQSA-N 462.507 0.732 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)c1 1819889251 GGBNJUXTLGJHCQ-VFNWGFHPSA-N 471.539 0.900 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825332167 YYEBRWZNHDOYAG-MRXNPFEDSA-N 473.555 0.292 30 20 JCED O=C(C#CC1CC1)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1828575003 GMQAYMZCHKTNKP-AOJNWGRGSA-N 480.565 0.575 30 20 JCED O=C([C@H](O)N1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828952786 ZYNXROHOVZMLSD-URXFXBBRSA-N 461.603 0.955 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCN2C(=O)OCc2ccccc2)C1 1829202566 RUNQJAVHAXTPJF-IFXCNKOCSA-N 498.580 0.200 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)cc1 1829632634 WYDFFPJNIXUXGK-XUZZJYLKSA-N 483.594 0.974 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)C2)C1 1831387096 DJFXNNFYLGDMLX-XMERXJNXSA-N 499.564 0.543 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1831403212 ZERMYXGCXYRQTD-NTKDMRAZSA-N 457.527 0.301 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1831418752 GMBWVVNCGIHSEF-KNPBPUNLSA-N 489.569 0.213 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1831437561 CXXFQWQITIWSRH-QZTZHPFYSA-N 499.605 0.698 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832100598 AZIFTOILHNWNAO-VFNWGFHPSA-N 463.560 0.689 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ocnc3C)CCO2)C1 1834371590 ICOVBFLYIBRINN-GAJHUEQPSA-N 476.530 0.970 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCCN4C(=O)c5ccccc5C4=O)C3)C2)CC1 1835340794 GPLBPKKABRKVFQ-VWLOTQADSA-N 480.521 0.823 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)c1nc2ncccn2n1 1835351377 HEYJVDYPVCNROH-KXWHUPIZSA-N 484.561 0.839 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc4c(c3)CNC4=O)CC2)CC1 1835625022 ACFHAIJOXBEGJS-WAYWQWQTSA-N 479.581 0.974 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@H]1CNc3ccccc3C1)CCO2 1835772412 KIQFCSUYAROJEH-KOSHJBKYSA-N 455.511 0.595 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1836000897 NREPPDKTDZKDNL-XMMPIXPASA-N 466.494 0.255 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(OC)c1F)CCO2 1836238338 WFENTHXRKKABJV-QFIPXVFZSA-N 465.478 0.809 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)c(O)n1 1836669211 MIVHPSYODJTGAN-VWLOTQADSA-N 487.601 0.223 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1837396579 GKESTYWDCIDWDM-JLCFBVMHSA-N 475.571 0.917 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1837398554 DJHYVFSOLWRWJP-CYFREDJKSA-N 473.526 0.661 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1=O 1837486676 MGAUMUUNGVSDSG-XMMPIXPASA-N 457.527 0.154 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837629488 NTUQXNSWOGDABP-NFOSPISASA-N 484.534 0.977 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2)C(F)(F)F 1838417206 ILKQMIWAAHLLDY-GOSISDBHSA-N 472.445 0.945 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccc(Cl)cc3)[nH]n1)CCO2 1838703634 YVBTUHJJDHBLPH-JOCHJYFZSA-N 472.885 0.888 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838952769 IGGFIKKUEDQLLM-ZJSXRUAMSA-N 480.525 0.099 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)N1CCN(C)CC1 1839103269 KLOOAJJNBQLIEM-HOYKHHGWSA-N 473.549 0.403 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1839185722 JITFCPDCNJNAMQ-YTZAWJCFSA-N 494.589 0.438 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1839227526 GJJDYWGPPUJDFT-MHECFPHRSA-N 473.574 0.641 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c(O)c1OC 1839377344 YRSKQCVUMAHPFX-FYWXSZBBSA-N 490.557 0.951 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839390517 UBAMKMHEOXCNIK-XJAMQDAASA-N 467.482 0.727 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)ccc1Br 1839400995 MBZSEDKXPDUMSF-JXFKEZNVSA-N 493.314 0.499 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452733 SQXWECTVRDPYEC-PGRDOPGGSA-N 460.487 0.001 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnsn5)C4)C3)c2c1 1839487418 HVCNJVNRPZAIKT-FQEVSTJZSA-N 453.484 0.670 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1839738945 LFDDOFYUQRPOSG-GAJHUEQPSA-N 460.531 0.655 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(O)Cn1cc3c(n1)-c1ccccc1CC3)CCO2 1839745578 PRWQKZADKJBDKN-IZZNHLLZSA-N 478.549 0.489 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1839889527 YLXOKVIPWKYIBN-HXUWFJFHSA-N 465.457 0.612 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839895583 JNPWBOKAXALMBY-HXOBKFHXSA-N 495.573 0.865 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1840201226 KRATZOCZZVEXGO-IXFSTUDKSA-N 499.630 0.473 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840364346 XNMLNHYIKFRNJL-SBUREZEXSA-N 460.531 0.480 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C(C)=C/c1cccnc1)CCO2 1840411871 IWXDAJCYMDFQJR-RVNFTQAYSA-N 454.527 0.800 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CC1 1840805804 GWIMMMUFFGQKLY-DEOSSOPVSA-N 493.605 0.545 30 20 JCED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn1 1840819085 NTMMOFHKTREQFU-HSZRJFAPSA-N 467.482 0.506 30 20 JCED COCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819578 ULKCPTICFRMAQA-QHCPKHFHSA-N 470.482 0.842 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccno3)C2)C1 1840907441 VHTUAAQSJGVDKR-AOMKIAJQSA-N 462.503 0.661 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C)C2)C1 1840909094 MPBIWXTYSBHUDP-KOSHJBKYSA-N 487.557 0.772 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1840912789 RDRTUHFDAVPNOF-MBKAAHDRSA-N 466.579 0.507 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1846282082 KMVFOHZLZJDLHD-SFHVURJKSA-N 483.573 0.681 30 20 JCED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 28688293 DLFDJBUQDASLBQ-QGZVFWFLSA-N 473.599 0.770 30 20 JCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)CC2)nc1 511402121 QHQURVFEUQUPMG-UHFFFAOYSA-N 462.510 0.642 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CCN(C)CC3)c2=O)cc1 516375043 MWFIKAAUNQJFFM-UHFFFAOYSA-N 495.649 0.436 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cccc4c3OCO4)c2=O)CC1 516832198 KZGRIUXFIKUGEQ-UHFFFAOYSA-N 452.536 0.687 30 20 JCED CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 603436342 BFHMLXJFSJPLGQ-UHFFFAOYSA-N 469.566 0.657 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN([C@@H](C#N)C(C)C)CC3)cc2)CC1 609153539 RLXLOISKJCJFNU-NRFANRHFSA-N 461.588 0.845 30 20 JCED CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2OC)N(CCCNS(C)(=O)=O)C1=O 726396620 UDUXOSNPDQVRCK-OAHLLOKOSA-N 458.562 0.711 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 728531788 PYOATUYWDHSJRY-KRWDZBQOSA-N 450.461 0.948 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCS(C)(=O)=O 729671945 YAZDGKBXNXHYIC-UHFFFAOYSA-N 483.518 0.361 30 20 JCED N#Cc1ccc(NC(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1Cl 753640799 PYUARUMDGPEMIS-ZDUSSCGKSA-N 452.876 0.859 30 20 JCED C[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1sc2c(c1C#N)CCC2 857838004 VRIZCRQGKWVNGM-NSHDSACASA-N 470.511 0.816 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)cc1 878407601 WLVFPKNMGKDKTQ-XLIONFOSSA-N 470.569 0.473 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(Br)c2)c1=O 916199885 LQWQDTIHJYWPNW-UHFFFAOYSA-N 478.368 0.681 30 20 JCED C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1291307453 ULEYJYBJTPYCSQ-IBGZPJMESA-N 466.590 0.748 30 20 JCED CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1313999637 OWMBJNKQBVAEHD-UHFFFAOYSA-N 496.572 0.829 30 20 JCED CC(C)C(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1508820742 IZQQOWVPJUEPOX-KRWDZBQOSA-N 467.596 0.513 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1518520131 PVPPJAZWQZEARF-DLBZAZTESA-N 476.559 0.876 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(CCN1CCOCC1)[C@@H]1CCSC1 1628857258 RQNYLVCICNAICX-MRXNPFEDSA-N 452.602 0.782 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)NC3CCN(S(=O)(=O)CC(C)C)CC3)CC2)c1C#N 1685893004 POKIZQUHYMKVQY-UHFFFAOYSA-N 451.597 0.882 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1693872409 MWILDTINNJYBCT-HZUJVAHNSA-N 476.559 0.464 30 20 JCED CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)(C)C 1697176364 YDZKRGWYDOKXPT-CEXWTWQISA-N 495.650 0.849 30 20 JCED CCCN(CC)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709719413 UEPOSXDQKBYDJQ-VQTJNVASSA-N 494.666 0.519 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1710348301 XNSKXEULDKGDFO-WIYYLYMNSA-N 459.576 0.401 30 20 JCED CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1710918920 ZXDQYGXTLZPTIG-CZVZCILPSA-N 457.564 0.375 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CCN1S(C)(=O)=O 1712845872 KHUCTSWVOYDVHN-HNNXBMFYSA-N 457.560 0.813 30 20 JCED CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1728511290 BNQYAQFLYDLNTL-VQTJNVASSA-N 494.666 0.518 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1=O 1771137886 IUKCSWZWLCPOHY-UHFFFAOYSA-N 453.503 0.954 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)[C@H](O)C1 1778364425 WRRDHZJJIKOZHL-XGRCMKMKSA-N 450.536 0.738 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3CCN(C(C)=O)CC3)C2)c1 1778912060 SLYJBTDGWIYSGG-ZEQKJWHPSA-N 497.596 0.858 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)no1 1779125847 FCHIPGYQROFOEQ-HSZRJFAPSA-N 451.483 0.923 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)CCO3)C2)c1 1780332379 VAHFZGDXVNKCPW-XMMPIXPASA-N 477.525 0.365 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1781168270 NNMIWDHYWUXEIN-JPYJTQIMSA-N 474.562 0.805 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C1CCOCC1 1781206636 ZEPSAQVEADMENU-KOSHJBKYSA-N 493.557 0.614 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)C2)C1 1782118732 KQLGRDHKUIBSPB-UZQCKINESA-N 488.497 0.914 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3-n3nccn3)C[C@@H]21 1783530613 LLCGOUNWCIOSAU-GSWSRBKMSA-N 464.526 0.719 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784093291 JAMJCFOTEJXEKC-MHECFPHRSA-N 487.557 0.639 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCOCC4)n3)C[C@@H]21 1784482244 IKOAMAFJGPNTOE-IWFBPKFRSA-N 456.543 0.550 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1784485411 LSTWTGMMMPXEEW-CBVHJVASSA-N 469.498 0.310 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2)n1cnnn1 1784603589 QCUYAYMQYUHCSO-PDSXEYIOSA-N 497.622 0.666 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1785370379 WRFJXUHTLRIKJI-DHIUTWEWSA-N 462.547 0.882 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785377947 WAYVPPJUDSSIJI-MHECFPHRSA-N 488.541 0.653 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1785573298 XWNLMTXOBIDJTC-JLHGSKIFSA-N 485.603 0.414 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1785578271 WRAVBIAPPGFDPY-HYFFOGBASA-N 460.535 0.586 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1786847723 AXMQFRFTDPVWAM-HVYSQBCLSA-N 494.637 0.680 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)n4)[C@H]3C2)c(C#N)c1 1787440395 RAUGRMWSHAXDAO-FNHZYXHNSA-N 467.482 0.604 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)[C@H](O)C1 1788250685 YZSGYLJMLYIUGF-JHWSBEJJSA-N 464.563 0.888 30 20 JCED COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788660668 FFSORFRHMZAESV-CZXFOHMLSA-N 485.578 0.565 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788679838 SYTPEIKZQMNCOX-NBCSJBNSSA-N 492.573 0.954 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1789958354 PNRBNQJUNNOORW-JIFZMYKYSA-N 496.605 0.995 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ncn(C)n4)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380357 YBHWLAOVLWCPTP-XSLAGTTESA-N 474.562 0.974 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C=CCN3)C[C@@H]21 1792267777 GKDSWAHPDQYUOK-BVULJHSPSA-N 460.575 0.964 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1792451211 HBHQIJULUPWNDG-XQPJFTJZSA-N 463.575 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1cccc(Br)c1)C2 1792489827 XXJRQWJRLHPIBT-LTUXPVQVSA-N 492.370 0.931 30 20 JCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792780310 SSTBWCRPOJBUMO-FOZRXDQQSA-N 455.555 0.949 30 20 JCED CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)C(C)(C)C 1793198146 SNDVEIGQXMENDH-XZVTXLIQSA-N 452.552 0.656 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)C2 1793347585 GJJNQONJEUTZPY-LWWSSTOXSA-N 491.585 0.373 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1793349952 SGWSXXYINDZLDX-ZMMAXQRCSA-N 455.552 0.444 30 20 JCED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1793562036 FAVLSLUAOPYYMJ-AKHDSKFASA-N 453.543 0.698 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1793599193 QZJXIHUAKNQWJL-OYNZLANYSA-N 464.563 0.666 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795636165 UBEDZYUGRVDCDL-KMOPNRPKSA-N 481.594 0.028 30 20 JCED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2)C(=O)O 1795645726 PRTLZVMHYRLUQX-KPEUIFRASA-N 468.432 0.843 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O 1796325469 WPDMDEJZQNIWBX-BWBOWEQJSA-N 479.578 0.492 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1 1796894294 ZKPWMMBEERROBS-BDMFXPILSA-N 465.597 0.856 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)c(O)n1 1797624243 LRSMRZPZNUOTJX-HBCWATKFSA-N 455.519 0.442 30 20 JCED Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3(O)CCCCC3)cnn2c1 1797782631 FCFVFFCFPZYDQT-RMFSNUHRSA-N 451.527 0.940 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2 1799156076 KTNVPUIJGSQFJA-SVKAJCTQSA-N 493.601 0.928 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800247448 UPYWPINERZAJLI-GQEURGSBSA-N 475.549 0.924 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1800739539 CRHDFOOHTCFISA-JOJUJSSUSA-N 469.604 0.776 30 20 JCED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 1802025170 NSWBPYADDUAPRU-SSTJLMRISA-N 484.553 0.898 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2)C(C)(C)S 1802181768 TXULKFDOOFKORP-UMPJEAMMSA-N 497.618 0.778 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)ccc21 1809268889 UTSWLQQHMNYDIF-JTSKRJEESA-N 461.478 0.680 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)[C@H]1c1cccnc1 1812883284 ZCQGBFXZEYBXOH-KOSHJBKYSA-N 472.457 0.919 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(N3C(=O)C=CC3=O)cc2)[C@H]1c1cccnc1 1813973466 LYLLNAXSMKHXQG-HOYKHHGWSA-N 472.457 0.919 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)CN(CCO)CCO)CC4)c2c1 1823893084 JBWUPWOHVVQQTJ-CQSZACIVSA-N 483.554 0.403 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670315 GVUCDSOENOVEDJ-NWDGAFQWSA-N 466.516 0.419 30 20 JCED Cc1nn(C)cc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828613548 RDAWEOMZWCEAFS-VWLOTQADSA-N 493.520 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)NC(=O)OCC)CC1 1828759170 GMXTUSPLLXFZBX-BGJHAKSCSA-N 450.536 0.529 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332745 XHBXARLUOQFGSN-CJAUYULYSA-N 496.520 0.217 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cc3F)C2)C1 1829769484 VIOXJXAFWNZUKA-FUMRIQNTSA-N 461.490 0.763 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])c(O)cc3C)C2)C1 1829771481 RMBOLGHMUUGNLH-CHFIUFFRSA-N 488.497 0.537 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1830461631 SPXRFZMAHHFYMU-XMMPIXPASA-N 479.493 0.749 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830777375 GGHDSETXSVRZHM-GBXCKJPGSA-N 456.543 0.878 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3c[nH]c(C)c3C(=O)OCC)CCO2)C1 1830941007 HSQBGKCWWSRXGB-CLOONOSVSA-N 489.569 0.927 30 20 JCED CC1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1831104152 LXVNGSAQPMOMPD-ZZTJDXDDSA-N 466.579 0.704 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221518 PLZLVZZYZHJFGP-UUOWRZLLSA-N 493.557 0.313 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1832456778 ZUAKSFRYDANEKA-QFIPXVFZSA-N 459.524 0.811 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n(C)n1 1833449612 YYSITBGHSFEBRS-HSZRJFAPSA-N 469.498 0.449 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CSCC(=O)OC)CC2)CC1 1833476282 KXFRWEMKGNGAGK-PLNGDYQASA-N 466.604 0.323 30 20 JCED N#Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)CN4C(=O)CNC4=O)CC3)CC2)cc1 1833676424 RROVZJAAKIRELM-UHFFFAOYSA-N 480.569 0.614 30 20 JCED C=C(C(=O)N1CCC(N2CCC(NC(=O)CN3CCS(=O)(=O)CC3)CC2)CC1)C(F)(F)F 1833713812 DVDOQAHSECXUFF-UHFFFAOYSA-N 480.553 0.407 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1scnc1C1CC1)CCO2 1833725887 QYNAMOYGRXFBHX-LXHZQTKUSA-N 460.556 0.949 30 20 JCED O=C(C[C@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1833762119 XMLNEMQQZNXAAT-HXUWFJFHSA-N 451.527 0.208 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767427 PZMIUTZNSXOCAE-HXOBKFHXSA-N 495.577 0.118 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCC(N3CCC(NC(=O)/C=N/N4CCCCC4)CC3)CC2)no1 1835731814 HOEWLYHSGNHRIK-WGOQTCKBSA-N 487.605 0.756 30 20 JCED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)c1 1836359261 XVOSPBNUPPFCBE-GOTSBHOMSA-N 453.587 0.785 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc4ccccn4n2)CCO3)c1 1836397456 OABVCZORUXZAOW-XMMPIXPASA-N 476.493 0.993 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1836859410 ZGSUEWRWVNHFCK-KRWDZBQOSA-N 460.531 0.750 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1837309007 HAJDFNHWCPGTQB-ZJSXRUAMSA-N 462.591 0.375 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531083 BZVMLCINQNWUKA-POSBYCEFSA-N 475.546 0.867 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837658801 ZUUVYDZWLGBECD-MHECFPHRSA-N 476.574 0.316 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1ccccn1)CCO2 1837745240 MMANBHZUZBWPDO-FDDCHVKYSA-N 460.531 0.848 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838794138 DRGOMXDOUJVVOV-DEOSSOPVSA-N 481.557 0.619 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)CC1 1838906937 NVHVUPQLNWJOJD-HSZRJFAPSA-N 490.582 0.300 30 20 JCED CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)C1 1839066818 VHHRPLBGDNVQCP-HZCBEHAQSA-N 452.552 0.314 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)NC=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839165846 XKAZPIAZKIKGHR-BSRJHKFKSA-N 480.562 0.143 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839414190 QWKBNLOYQWZXSU-IRCLMUFRSA-N 492.485 0.899 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(O)n5)C4)C3)c2c1 1839487612 OWJZQTVIMRFQND-QHCPKHFHSA-N 462.466 0.919 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)[C@H]2OCC[C@H]21 1840037986 BVQLOPKKTICPNR-KKIGLAAZSA-N 492.573 0.771 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(C(F)(F)F)n3)C2)C1 1840040894 DGNSUPXVVCDDPW-LJQANCHMSA-N 455.389 0.187 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)C2)C1 1840172840 LSYGEVCZNHYMKS-HSZRJFAPSA-N 455.515 0.526 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H]3CCNC(=O)C3)CCO4)c2c1 1840234494 YAELGAVWSRVFSL-QMHKHESXSA-N 466.498 0.031 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251700 UMPIQCNEKBSHJU-YTZAWJCFSA-N 492.573 0.287 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1840840928 UIZIXGBZVZSMEE-MBSDFSHPSA-N 463.531 0.435 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1840909119 NCWWFQDDOBYWNR-BTYIYWSLSA-N 463.491 0.056 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1847121992 VBOCGASGZYSHIM-FPLPWBNLSA-N 489.573 0.128 30 20 JCED Cn1c(=O)c2ccc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)nc2n(C)c1=O 25166008 YNSXXUDHVMJPGX-UHFFFAOYSA-N 476.472 0.773 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c1=O 33144485 DCPIRKNSQDJYHW-QGZVFWFLSA-N 494.552 0.913 30 20 JCED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1-n1cnnn1 518132554 JTPLTQRTVDOKFP-UHFFFAOYSA-N 480.510 0.314 30 20 JCED Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(N)=O 589157039 FLDSQNXFKFSJHE-UHFFFAOYSA-N 487.584 0.555 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2ccccn2)c1=O 589160297 FZBPJYBLRFQSLO-UHFFFAOYSA-N 472.523 0.379 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1-c1ccc2c(c1)OCCO2 603997743 PMNQPGKGMXQIOV-UHFFFAOYSA-N 493.541 0.944 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(N)=O)c1=O 608910836 QWKVTWLKRSIHCH-UHFFFAOYSA-N 485.522 0.264 30 20 JCED N#Cc1cccc(CNC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Br)cc2)c1 728720589 LIEUJZHVXYQIMK-QGZVFWFLSA-N 496.339 0.820 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccc(Cl)cc3)c2=O)cn1 839222665 IYGQLSLDBNHRFC-UHFFFAOYSA-N 498.996 0.237 30 20 JCED Cc1oc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c(C#N)c1C 912686046 JZCJXTWTNPCGIU-UHFFFAOYSA-N 460.468 0.684 30 20 JCED CC(=O)N1CCN(C(=O)[C@@H](OC(=O)CNS(=O)(=O)c2ccccc2C#N)C(C)C)CC1 913174200 YKIFGPYRLFNRSW-IBGZPJMESA-N 450.517 0.095 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(CN4CCOC4=O)c3)CC2)cc1 918309902 KJHWEZYJBYREFK-UHFFFAOYSA-N 497.533 0.982 30 20 JCED COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1=O 1193730048 MKVYFKNEZXCFCR-AWEZNQCLSA-N 459.366 0.778 30 20 JCED C[C@@H]1CCCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1291129154 JQFHWKZGXZHGHD-FUHIMQAGSA-N 469.587 0.785 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1313669344 WDKPOTPXEFZCLT-IXDOHACOSA-N 455.585 0.070 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCCCC1 1360708461 WUJLIJMRNMPIJL-RDJZCZTQSA-N 451.597 0.760 30 20 JCED CS(=O)(=O)N1CCN(CCNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 1468485931 PUPJVWSABNADTL-UHFFFAOYSA-N 454.984 0.620 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ncccc1Cl 1510224006 SCHNEJAXDGBXMW-CHWSQXEVSA-N 455.928 0.744 30 20 JCED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1554501586 RXOSMFBHFWOFBP-UHFFFAOYSA-N 486.602 0.257 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1617387104 NWNQXAGUYQKCEG-HNNXBMFYSA-N 450.521 0.630 30 20 JCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1710873685 PEPTZHRMYKNVGT-UHFFFAOYSA-N 471.587 0.652 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCS(C)(=O)=O 1723926544 QIKREXUCMZLJDY-CQSZACIVSA-N 466.589 0.974 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1741877336 KSPVMLPTDWZYEJ-KZNAEPCWSA-N 469.612 0.318 30 20 JCED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 1748053471 QYHMGARZODGSBJ-XMSQKQJNSA-N 473.603 0.649 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 1749884969 OEHSALFEMCKZQK-QHCPKHFHSA-N 450.547 0.683 30 20 JCED CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1768212542 VMSQGFIMEMPVHM-OAHLLOKOSA-N 468.605 0.968 30 20 JCED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1781745591 VXZZWJXYZWUUKG-HUIKVJECSA-N 492.642 0.893 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C[C@@H]21 1783531776 VTUQOFDXFBKWKG-HIMLDCRRSA-N 482.537 0.858 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1783766314 JVNRSJJYXDYZAZ-PEBXRYMYSA-N 477.518 0.801 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1783784028 KYPNCBDTCQZMAC-QZMQVMSPSA-N 483.562 0.864 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1784011656 NLBQKWULQXPWMG-PKTZIBPZSA-N 473.530 0.702 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]3C2)c(O)n1 1786789834 PBEQWWUPJJPKRZ-WBAXXEDZSA-N 482.474 0.224 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnc[nH]3)[C@H]2C1 1787419800 MYPBACYIZGMJBE-WNHJNPCNSA-N 459.547 0.849 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cc(C)cnc34)[C@H]2C1 1788336813 PYJDUJBXJSSQAT-PMSLMXJFSA-N 452.515 0.489 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788717909 GHJRCXMACVVYBR-LEAZDLGRSA-N 499.568 0.916 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1789949427 QRRIPTKSWXZWGP-UFYCRDLUSA-N 455.552 0.356 30 20 JCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOCCOC)[C@H]2C1 1789950186 VHPFRSYOQASPHJ-ACRUOGEOSA-N 488.647 0.972 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1789952298 AMIUFTZIEONYDY-FPSMNIFISA-N 470.567 0.653 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1791103443 YNCPWTAZLPYCCW-JONQDZQNSA-N 452.508 0.336 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1ccc(C(N)=O)cc1)NC(=O)OC(C)(C)C 1793173343 KAIJUPSNOJQRCC-RCLSDMTESA-N 484.553 0.444 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C2 1793354280 QBRKJMXWMBDOMQ-QTMHVTGLSA-N 467.563 0.803 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)OCC(F)(F)C1 1795085259 DDYMBXSTDBPBBO-IVSAIRAKSA-N 472.489 0.761 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccc2nc(CO)[nH]c2c1 1796870558 UDRXMNNKUPJDFH-FEJSZKPUSA-N 466.538 0.957 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1797838588 CJOXQZVMLZVNAM-INOOVHSBSA-N 467.526 0.834 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2 1799320731 NITFTNUQTROHLJ-YVSFHVDLSA-N 462.551 0.878 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)cc(C(F)(F)F)c1 1799786991 PMUAQHJKLUVQHI-YFUQURRKSA-N 452.433 0.503 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1OCCC2 1799937220 YFQUQQLAUGVZKX-UKBAYJJMSA-N 487.557 0.785 30 20 JCED COc1ccc(OC)c(C(=O)CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1 1800970745 SFTNRGXWHRKUMV-LTQWCFAGSA-N 458.467 0.344 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1803552699 IMTXAPLGGRBGEU-IDHHARJASA-N 460.581 0.986 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1807945224 CEMFVNQAPSRNBE-KDOFPFPSSA-N 458.442 0.041 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)ccc2F)[C@H]1c1cccnc1)C(=O)C(=O)O 1812391920 IMADZINKYVYPAA-JXFKEZNVSA-N 467.457 0.955 30 20 JCED COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)c(C#N)c1 1814808055 NTORINDTTKLJJP-HOCLYGCPSA-N 470.555 0.771 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1823479270 XMRIRFICSGNLRO-KDOFPFPSSA-N 491.501 0.946 30 20 JCED NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1828964021 MSUUVMKGIBVFRK-NHVVDLMHSA-N 470.574 0.869 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCN2C(=O)OCc1ccccc1 1829134036 WFMOEEPXQFVZPK-OFVILXPXSA-N 499.520 0.567 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(O)n[nH]3)C2)C1 1829332759 XHNXSZUSMSRKBG-QHCPKHFHSA-N 481.465 0.269 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)Cc5ccc(C#N)cc5)CCO4)C3)cc2C1 1829906125 UUCKFIJGUAJJCL-SANMLTNESA-N 492.580 0.903 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063139 JUYNKDSAUOVWFC-HYBUGGRVSA-N 474.533 0.879 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1830716054 SIKFVDHHLQPDBA-RMFNBWNASA-N 464.563 0.504 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1831402425 YMFNTYLGHNPXOJ-XMSQKQJNSA-N 450.532 0.414 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CC(=O)N(C4CCCC4)C2)CCO3)c1 1832359975 GLTQUVWPTICDAV-UUOWRZLLSA-N 469.542 0.747 30 20 JCED Cc1noc(C)c1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1833064091 PDXCPMJHYJVVLS-QHCPKHFHSA-N 461.563 0.962 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1833334619 GWAGJTZDXWAGHP-QFIPXVFZSA-N 452.471 0.624 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1N(C)C)CCO2 1833658417 JMBKGDBTMMJAGZ-UZQCKINESA-N 457.531 0.076 30 20 JCED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835679823 AKNWVJVMGBHEGC-HSZRJFAPSA-N 489.529 0.961 30 20 JCED Cc1ccc(C(=O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835682927 YKFALIDCSQOHET-XMMPIXPASA-N 456.543 0.916 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H](C)O1)CCO2 1836612119 WPKJIASPMAJESS-LFALDJFMSA-N 479.574 0.927 30 20 JCED CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533427 TXBFGOBVSCRZRU-JVIUNVGKSA-N 459.565 0.086 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)no1 1837545931 QIFUCROMLNKJMW-DEOSSOPVSA-N 481.509 0.284 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1)c1ccccc1 1837616645 KVNJSBQDCFFDOD-FQRUVTKNSA-N 491.548 0.843 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837740923 AWZSLIXUQGJOMU-MBSDFSHPSA-N 458.563 0.620 30 20 JCED C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837743913 WZCINCVDOZYEPW-CBWPXHNPSA-N 458.563 0.810 30 20 JCED CN(CC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)C(=O)OC(C)(C)C 1837760333 VFIWKNIUJLCCAO-UHFFFAOYSA-N 451.520 0.940 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(F)(F)F)nn1C)CCO2 1838076532 KZHYDEJNUHZYRC-FBQMEGEOSA-N 485.463 0.367 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(=O)c4ccccc4)C3)C2)c1 1838742697 LDCJFLUUETZSNQ-XMMPIXPASA-N 465.510 0.776 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)c1 1838906201 YGMIOKSRVBXFHC-UGKGYDQZSA-N 455.540 0.655 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839138869 JGITZQFPPIIVLF-OAQYLSRUSA-N 454.524 0.288 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1839176597 XKBXLOYSTJRDAE-DEOSSOPVSA-N 484.509 0.915 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839362363 NLFSZOIISDFECX-QHCPKHFHSA-N 453.499 0.879 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839384321 AWOMVGCYCOWGKQ-HYBUGGRVSA-N 488.541 0.400 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421078 UVAOIJHKJGKKRW-NZQKXSOJSA-N 491.472 0.262 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)c1 1839451060 WUMOCAXWCZQKHM-QHCPKHFHSA-N 458.584 0.986 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)c1 1839452710 RPYGMMPODDNPIE-XMMPIXPASA-N 463.494 0.970 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839882969 HLHAYUQEGXVMIT-WZONZLPQSA-N 482.578 0.438 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cc(Br)ccc4n3)C2)C1 1840042442 VXFFGACRBZFSAP-HXUWFJFHSA-N 491.298 0.255 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)C1 1840043659 MXAYLNYUYCDQEU-LJQANCHMSA-N 496.270 0.515 30 20 JCED CC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110909 LJOMOQGOVAALGU-QVKFZJNVSA-N 473.592 0.634 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840174715 UDULVFHJBIHNHV-HYFFOGBASA-N 453.536 0.247 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1)c1ccc(O)cc1 1840221899 RKJFKDMIPCVCBI-WZONZLPQSA-N 474.583 0.972 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CN)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251609 OZVRWLMVYAIHND-BSRJHKFKSA-N 466.579 0.603 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840649280 VCPONEQVOYLGFK-VWLOTQADSA-N 478.505 0.806 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1840819136 RIYSQDPZJJJCQW-XMMPIXPASA-N 465.510 0.816 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)N(C(=O)OC(C)(C)C)C1 1841894898 MDDWUYYOSOHLQW-SFHVURJKSA-N 496.630 0.486 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1847068718 GQKCANSYSPOMJO-JKSUJKDBSA-N 453.561 0.684 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1nccnc1C(N)=O)C2 1847069439 NZHHITBIQYSTIC-CQSZACIVSA-N 456.503 0.309 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(-c3cccs3)noc2=O)CC1 60212787 WEUSETIZRAMVBM-UHFFFAOYSA-N 459.509 0.970 30 20 JCED CNC(=O)COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OC 506039655 AORLSPZJWUWMNL-UHFFFAOYSA-N 472.523 0.838 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(S(C)(=O)=O)cc3)c2=O)cn1 523865105 OWVHMKLIPMHFLH-UHFFFAOYSA-N 483.575 0.301 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c1=O 590910272 UKXQBPKOKDQXQE-AWEZNQCLSA-N 457.552 0.917 30 20 JCED CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c2ccccc2O1 604168581 DVRGBWUHHJMDDY-FQEVSTJZSA-N 462.510 0.922 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C(F)(F)F)c2)c(=O)n1CC(N)=O 608972108 YELJEXGCODSPEO-UHFFFAOYSA-N 470.860 0.873 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 727418162 WNBCTCOIAZPTAC-UHFFFAOYSA-N 452.492 0.247 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCS(C)(=O)=O 729671165 JMXPIXJLXKMHRC-UHFFFAOYSA-N 461.565 0.077 30 20 JCED CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 877877276 VILZYTSDQDPUOI-YLJYHZDGSA-N 485.584 0.753 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCCNC(=O)C2CC2)CC1 915424577 ZQQFEWITXHRWKP-UHFFFAOYSA-N 462.528 0.241 30 20 JCED CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1161442762 QTCHCAORFSMLQZ-OAHLLOKOSA-N 456.590 0.745 30 20 JCED C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1301009526 MHXQQJQFKNAEBU-RTBURBONSA-N 495.627 0.948 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1=O 1301889130 UNSRUMYTALWLGJ-UHFFFAOYSA-N 453.503 0.954 30 20 JCED C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1)c1ccccc1 1539767239 NXEGTTHXSVCZKQ-ZWKOTPCHSA-N 460.560 0.636 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CCO1 1554451508 IJTFGACUHMDZIC-UWJYYQICSA-N 458.544 0.548 30 20 JCED Cc1nn(C)c(N2CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC3CCCC3)CC2)c1C#N 1556216622 AKFYLQXWAAPTNJ-IBGZPJMESA-N 457.579 0.970 30 20 JCED N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 1616675438 UKCGTYMVUQGCPP-AWEZNQCLSA-N 453.322 0.842 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760307875 WYTIYQDEUXLMLR-DYVFJYSZSA-N 491.412 0.482 30 20 JCED CC(=O)N1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CC1 1760588901 YQLJGFLFLIZVPG-YJBOKZPZSA-N 467.596 0.608 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CCO1 1760674552 PRHOUBBUDMOQCH-LJQANCHMSA-N 488.570 0.647 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNC(=O)C1CC1 1762290271 MEMUVTFJNBEBJI-UHFFFAOYSA-N 496.620 0.963 30 20 JCED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCO1 1770960808 ODCUGYRGFVIURI-IBGZPJMESA-N 476.559 0.616 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1778975359 GMPPZAKRZSMVLL-NXHTTZLHSA-N 482.578 0.158 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017976 ZKHMFJWPVNUJJX-PHNWRZMHSA-N 467.567 0.174 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779106806 VFTHOOSRDXCSGH-FZUFRQSMSA-N 489.525 0.808 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780188385 VHWAWMCMGIQUQM-JLTOFOAXSA-N 468.963 0.983 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2)C1 1781148531 BLHOVARFXPXURD-VVBPWWLESA-N 486.635 0.896 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 1783267871 GMILTJZDUZESCC-PLGVSFSBSA-N 490.601 0.943 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1783397492 AJJWTYWCLYBFKL-GEEYGDQWSA-N 454.524 0.870 30 20 JCED CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783562920 KNVHOOZUKQHZBM-IBGZPJMESA-N 488.440 0.640 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1783765872 BRJNBOLEGIVUSG-MCFFVMPBSA-N 468.551 0.348 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1783769279 RAUSDSYSOGWKRH-DMPWYTOCSA-N 450.536 0.422 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)NC(=O)OC(C)(C)C 1785305729 BYRIKWHMJGYAAT-OPAMFIHVSA-N 452.552 0.764 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(=O)n4O)[C@H]3C2)c1 1785631614 SOCXYGJIZFBFNX-QSFXBCCZSA-N 452.467 0.873 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)OC)[C@H]2C1 1786426965 GSMHLGGFJCFEPO-FJIDUMEYSA-N 465.547 0.836 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]3C2)cc1C#N 1786649406 OWUKTITUJGPKRH-QRFRQXIXSA-N 463.556 0.983 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(Cc4ccccc4)CCO3)[C@H]2C1 1788199583 HZGHDCNUWJJWFT-NHFPKVKZSA-N 469.582 0.905 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)nc1 1789342987 YMRNWOHKQCDIOQ-QOKNQOGYSA-N 457.512 0.592 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(n4ccnc4)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1790694078 WVIWDIBGAMMUNX-LYXWCMDISA-N 471.558 0.832 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cc(Br)ccn4n3)C[C@@H]21 1791076729 GNUFHNHSTZJVPA-NUTKFTJISA-N 475.299 0.778 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21)c1ccc(O)cc1 1791335914 CHMAWUHJYDUEQG-WAGURGNTSA-N 467.570 0.709 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(N)=O)[C@H]3C2)cc(C(F)(F)F)c1 1792285298 XMXMYKIGROOISJ-RCBQFDQVSA-N 453.421 0.839 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(C)=O)c1ccc(F)cc1)C2 1792489630 ASOOJBRJMDQFIK-RFBFYKITSA-N 472.517 0.451 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1792490415 RZWHCUFDYSPEKB-AULKTGFLSA-N 499.568 0.070 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CNC(C)=O 1793473116 WZYYCKGTDQUGBT-RDGPPVDQSA-N 478.590 0.655 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCN1C(=O)c2ccccc2C1=O 1793869015 QEKGQZDSNYHFIA-OPMZPASUSA-N 495.580 0.934 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C 1795466625 JIOAHKMIFOCDKS-IFSBAMAHSA-N 450.536 0.134 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1)[C@H]1SC(=N)NC1=O 1796445176 JXJKTQNMMCLSOI-ORDKNWPVSA-N 476.580 0.879 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1799321742 LGDMMQAHEWTWGU-ZMMAXQRCSA-N 462.551 0.727 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]1[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C#CC(=O)O)C2 1800778909 WAKAJLMXJKTINJ-IGYPPAOUSA-N 475.542 0.700 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2)C(C)(C)S 1800907678 GURJPDOZHBMYCS-BQJWPVKWSA-N 468.620 0.706 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC)C2 1800982050 VRBGPNYWNWBNNY-DFGXFYAUSA-N 484.550 0.028 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2)c1ccc(O)cc1 1801051782 RLBROMQELWVZAY-XWQURZDVSA-N 462.568 0.914 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2)NC(=O)OC(C)(C)C 1801928073 HSJLIUCIGWXOAB-RCJHGTSTSA-N 463.539 0.122 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C 1802159580 HHQXPOJGCDQVSN-QMHWVQJVSA-N 487.623 0.236 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2nc3ncccn3n2)[C@H]1c1cccnc1 1809226548 MVQUYZQVBUUQNR-ZLQADLMRSA-N 460.498 0.697 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810094580 LJKJGTFLBXQKNH-SVOWYUBZSA-N 457.487 0.864 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccccc2C(=O)OCCO)[C@@H]1c1cccnc1 1811399075 ZLUZTPBHQCFTGT-JTSKRJEESA-N 465.462 0.638 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c1 1811410694 QOGQJUBPNYMKJP-BPUDTRNYSA-N 479.537 0.932 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1812878032 STTJZAQBGIZFNG-VLIAUNLRSA-N 453.411 0.801 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1814063704 MUDDELGSQFFXCF-HTAPYJJXSA-N 499.491 0.478 30 20 JCED CCOC(=O)N[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1819241339 FTXICWRYIKKABT-OFBKWTKOSA-N 466.495 0.995 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1819844018 PPZJYGBMSOEKQX-LBPRGKRZSA-N 482.526 0.194 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nc(C)sc3C)C2)C1 1829764597 OYAQDWSYXSDVSJ-QJKPHDSHSA-N 462.572 0.617 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1829769271 QDLBUMXOLKUMCX-FUMRIQNTSA-N 459.499 0.329 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1C 1830953174 OXLGKQIOOQFQTK-XMMPIXPASA-N 458.559 0.426 30 20 JCED CC1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1831104147 LXVNGSAQPMOMPD-KDYRRFBVSA-N 466.579 0.704 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 1831402118 OELXYWZDFGERHW-YDIMBITNSA-N 479.574 0.881 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cn3c(nc2=O)SCC3)CC1 1831673212 IRVVORQMXSHDTP-KRWDZBQOSA-N 458.540 0.599 30 20 JCED COCCOCCOCCOCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831673745 XSDSZAIKCZYPDJ-OAQYLSRUSA-N 482.574 0.780 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831696827 KKDSNAAMQCFUGA-DEOSSOPVSA-N 482.541 0.667 30 20 JCED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)CCC1=O 1832370633 KQCBNZQYNIKFCG-DEOSSOPVSA-N 467.526 0.555 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1F 1833738192 YBWTXAKYMUAXHY-QHCPKHFHSA-N 462.522 0.880 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)c3ccccn3)CC2)CC1 1834720943 HPZJDZANWIZZIL-FUMRIQNTSA-N 454.575 0.511 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cn1 1835099309 FKSPTUVGKMFQBL-VWLOTQADSA-N 463.490 0.990 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835197178 QLRKYDFKWKQEBW-NTKDMRAZSA-N 479.574 0.786 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnoc3COC)CC2)CC1 1835233377 CXLAZZCAXLBHSA-PLNGDYQASA-N 459.547 0.865 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c(C(F)(F)F)n1 1835509663 UGRIDJQGTJCMKG-GOSISDBHSA-N 486.476 0.669 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835647608 ZRRKICHKCFTTTR-OPAMFIHVSA-N 499.634 0.929 30 20 JCED N=C(N)SCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835652190 VXMQUTICHVUEFA-NRFANRHFSA-N 452.577 0.158 30 20 JCED CC(C)n1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1C(=O)O 1835672702 IIWDMHNJMMFUCP-QHCPKHFHSA-N 490.561 0.514 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)CCO2 1836289467 BUNDCDLTTPEMGJ-VWLOTQADSA-N 496.568 0.439 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)CC2)CC1 1836726409 NDYXODDOBNVFFK-XMMPIXPASA-N 475.590 0.079 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3CNc4ccccc4O3)CCO2)C1 1837351827 UDAFRXNVBSZRBB-IMWIBFENSA-N 457.527 0.744 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1837394424 AIVRCMRRZBZXBG-FDDCHVKYSA-N 478.546 0.805 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1837445273 NJGZLZOOQYPUCI-AGKWGAAGSA-N 457.369 0.842 30 20 JCED CN(C)c1cncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837524828 OIIRQFNOPUWSKM-XQHLYRQSSA-N 475.546 0.747 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1837525330 MCTJVUDUOXAQJG-XLKFECATSA-N 466.447 0.787 30 20 JCED CC(C)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)C(C)C 1837527155 KINSLUYGFFALSU-YCVNHZORSA-N 468.595 0.994 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1 1837752641 UZRANCDIVWCXTK-UHFFFAOYSA-N 476.551 0.855 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837845502 AMDPZXZHEVSFNS-KKRXVXNVSA-N 450.467 0.820 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c1 1837949166 LVKGIGIXHMWDDX-QFIPXVFZSA-N 469.429 0.569 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](CC)NC(N)=O)CC2)CC1 1838069174 WLYVFWPAHPYWTK-GOSISDBHSA-N 452.552 0.941 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131645 QDPZYCDENPGZDF-HOYKHHGWSA-N 455.511 0.604 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(N)s4)C3)C2)c(C#N)c1 1839131907 HMGNFHQREVIEHK-JOCHJYFZSA-N 471.539 0.918 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=C)CC(=O)OCC)CCO2 1839175318 BRDPNWQCTSTBMW-JOCHJYFZSA-N 452.504 0.462 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1839175626 UTOALVAQSUJDPY-GOSISDBHSA-N 459.337 0.880 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1839227748 XMSZQMBGSCGYKO-BTYIYWSLSA-N 477.543 0.627 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)ccc([N+](=O)[O-])c1C)CCO2 1839427867 YAXAAXDQTPSPDM-KSEXMQBYSA-N 490.488 0.971 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839624784 PDIRUXXNRWGZOX-JPWLMNFISA-N 490.492 0.467 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1ccnn1 1839710258 IBNJKMNNAVHHNJ-OPAMFIHVSA-N 456.478 0.549 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1ccnn1 1839710259 IBNJKMNNAVHHNJ-ZHRRBRCNSA-N 456.478 0.549 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864841 SIYVIXOYGXYXAD-UUOWRZLLSA-N 494.589 0.405 30 20 JCED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc2c1-c1ncccc1OC2 1840042078 YVEOMUZTFZXGEC-XMMPIXPASA-N 480.477 0.138 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)C2)C1 1840043241 MYGGRINVRQPQHS-SQJMNOBHSA-N 469.538 0.586 30 20 JCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)C2)C1 1840174598 MYYZFQXBHMFMOM-WXVUKLJWSA-N 494.589 0.391 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1840220158 AHVKPMAYIINDDO-WXVUKLJWSA-N 482.541 0.593 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H]3CCCOC3)CCO4)c2c1 1840877676 NNTILSGSPWCVJP-HXOBKFHXSA-N 453.499 0.931 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1840912790 RDRTUHFDAVPNOF-ROEJJBDBSA-N 466.579 0.507 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1841055854 ZMFKZWOHDAMZRF-QWGSZXSUSA-N 478.546 0.505 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1841602058 PALKHWXZXKYXSV-AWEZNQCLSA-N 458.540 0.083 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C=CCN1)C2 1844215387 AEBVPDTVFLRRPG-DLBZAZTESA-N 477.562 0.523 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845107937 PKAOGKVRFCYCNI-IRXDYDNUSA-N 465.547 0.927 30 20 JCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)cc1 1846507848 CPWUOQKJTTZXII-SFHVURJKSA-N 459.524 0.440 30 20 JCED N#CC1(C(=O)N2CC3(CCCN3C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)CC1 1846905919 OTVLWAIITUEBGH-UHFFFAOYSA-N 458.540 0.828 30 20 JCED CCc1cccc(-n2c(=C(C#N)C(=O)NC[C@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)c1 502047062 VWGHYDQIRHWHDH-LJQANCHMSA-N 463.563 0.993 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)CCC2 517976838 KBARYGYDKUZTDN-UHFFFAOYSA-N 463.563 0.777 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 522538121 WKBBVMOHZJVQQS-AWEZNQCLSA-N 480.521 0.791 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1-c1cnn(CC)c1 523183089 QFCAEJQSTFZKGW-UHFFFAOYSA-N 456.509 0.890 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O 524282661 CYHXCYCMBDQWEM-UHFFFAOYSA-N 461.341 0.283 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCNS(C)(=O)=O 589160599 JZAOFCHSUIAWLN-UHFFFAOYSA-N 485.534 0.789 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3c(c2)CCO3)c1=O 603987436 KXGDADNHADXTDC-UHFFFAOYSA-N 457.552 0.537 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(F)cccc2Cl)c1=O 604269930 JOZBYFSAVXYUQW-UHFFFAOYSA-N 462.934 0.916 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828504 ZBHCEKROECNUQE-UHFFFAOYSA-N 490.541 0.820 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCc1cccnc1 609039007 XBWUJIZXXOGHJP-UHFFFAOYSA-N 464.547 0.822 30 20 JCED CC(C)CCC(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 728731050 CCDCQZUTCGGDSF-UHFFFAOYSA-N 464.544 0.487 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 729286620 DLRBXPRCKXQPKA-YCPHGPKFSA-N 485.584 0.375 30 20 JCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)nc1 915778048 UTGQQZNZMCZMGW-UHFFFAOYSA-N 456.466 0.978 30 20 JCED N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1C(F)(F)F 916780710 VQWBDCARKSIEFW-VXGBXAGGSA-N 479.458 0.418 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)N3CCC[C@@H](NC(C)=O)C3)nnc12 918817937 KNKXELVYXADCQB-MRXNPFEDSA-N 498.565 0.993 30 20 JCED COc1ccc(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1300294535 LMYOWPZLBOCQJG-QGZVFWFLSA-N 475.575 0.591 30 20 JCED CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1314390014 JARQYOYYQFWAMB-OAQYLSRUSA-N 460.560 0.562 30 20 JCED CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1503807201 WQIGLXVPGDGWGG-UHFFFAOYSA-N 454.510 0.988 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)C1 1671495933 ZPEPAKVXGBZQQE-OTWHNJEPSA-N 450.584 0.841 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1705687891 KXJZRTXXPCSSAW-ZIAGYGMSSA-N 464.386 0.992 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)Cc1ccccc1 1723935953 UPAQTAUZJPPXSJ-HNAYVOBHSA-N 484.579 0.945 30 20 JCED Cc1nn(C)c(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1751824369 XVJMQNIXEAFBNZ-CXAGYDPISA-N 450.569 0.606 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1766878085 RRFAGMOPGDJQLI-FQEVSTJZSA-N 480.573 0.560 30 20 JCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CCO2 1779135962 LGZWEMAKBNERRF-RCHKNJNJSA-N 489.492 0.726 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780339025 IEVTYYMZXLUYOZ-AOMKIAJQSA-N 474.518 0.099 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3c(c2)CCNCC3)C1 1781523118 UFSFWXLUCMLLEO-VBYLHREYSA-N 481.597 0.756 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782010228 HWOAMGAAUYNUHV-YGKZAACZSA-N 463.531 0.845 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)N2CCOCC2)CCO3)cc(C(F)(F)F)c1 1782034693 ZZTTYMWRYSBGDB-FPOVZHCZSA-N 482.459 0.671 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn2[nH]cnc(=O)c12 1782196733 FWJNZFUQMUCQJN-DEOSSOPVSA-N 486.492 0.836 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1783992851 MSVGAIAUOFNKAM-NIXLGWEQSA-N 481.594 0.323 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)c1ccc(O)cc1 1784011996 BNYDRLROVKJKHC-HOKHCIIBSA-N 471.554 0.870 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)NC=O)CCO3)N(C(=O)OC(C)(C)C)C1 1784094365 WOPKAQXVKPKFLB-HYFFOGBASA-N 450.536 0.516 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCNC(=O)OC(C)(C)C)[C@H]2C1 1784199090 YLXLNAFIQOBSDT-XSLAGTTESA-N 489.635 0.842 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784461030 LFHAIUFCBLIXDP-GAJHUEQPSA-N 473.530 0.602 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C[C@@H]21 1784481313 NSWUCGYCAOHREZ-XPYUAMARSA-N 466.531 0.861 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C[C@@H]21 1784486143 ZTYRRKQEJFGSIY-DQIRUUEWSA-N 479.574 0.688 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2)NC(=O)OC(C)(C)C 1785302373 QHPHWYIEPSGFAU-QMHKHESXSA-N 493.561 0.228 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1785376301 OGUNIBGWGNEMGD-NRFANRHFSA-N 454.443 0.572 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 1786857836 ADRFGIXMGUSHOS-ULQDDVLXSA-N 461.588 0.739 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1788631542 MMPLDYQCAUKIBS-QSUVVDIXSA-N 476.599 0.467 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4sccn34)[C@H]2C1 1789134809 IEBLCCOPKWYCAK-RZXAPVBSSA-N 471.539 0.208 30 20 JCED CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1789840539 TZDRTVVSLBUKAT-BZSNNMDCSA-N 491.589 0.643 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790326941 AKVUKFNKUJYZND-MBGYTDRXSA-N 453.503 0.475 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1792126454 VJRKQKJLIBLLFE-ANULTFPQSA-N 492.617 0.557 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2ccccc2[C@H]1O 1793031791 GJOLDZGDXYKSOK-MTCFMXJTSA-N 453.539 0.730 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)OC 1793367032 CYBZYWXJYROPDL-YYAJDYIMSA-N 483.587 0.399 30 20 JCED C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1793430609 QHKGUESNPGVEKT-LSSIXWDNSA-N 453.421 0.687 30 20 JCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 1793999952 WFQXKTPRVRTZMG-OPMZPASUSA-N 452.471 0.885 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794213858 UAGCXOXOROCYSV-XFIYOXNOSA-N 461.519 0.139 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)[C@H](O)C1 1795408461 BPISRHMEUJHOBW-GIFQPEHOSA-N 476.574 0.888 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12)C(F)(F)F 1795969395 YVQUUHQNJNZJOR-JLVBRIDZSA-N 494.474 0.888 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)c(C(F)(F)F)n1 1795999239 DJBVQEUFSJXSBA-GNXNZQSNSA-N 489.414 0.378 30 20 JCED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796444323 KOSRXCKHTVEDIY-KAFXUVKVSA-N 452.554 0.983 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796572634 KOVQKSLUEKEXIA-XGUBFFRZSA-N 486.533 0.534 30 20 JCED Cn1c(=O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)nc2ccccc21 1796996542 CVFRKSASBJUREH-VMTASOTGSA-N 466.542 0.608 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1797703726 COIIAQIOMHGBSJ-RKGSWTEASA-N 495.617 0.767 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1)c1ccccc1 1797803327 QFZGLDKNVPURKT-LMPWSLQOSA-N 455.555 0.424 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C 1799395923 KCERCAYSTOGQOP-JCECYMMASA-N 498.577 0.833 30 20 JCED CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800907054 VVVLCWWRGGNIAS-CYGHRXIMSA-N 486.635 0.704 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1800984856 JEMZWVCHCXPFLK-JRVAAPGDSA-N 471.620 0.902 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCNC(=S)NC)C3)N(C(=O)OC(C)(C)C)C1 1801102364 IKSNIWBSTVVLOY-ZMMAXQRCSA-N 495.646 0.626 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1802124624 CNIADFDHNDTVPJ-YYAJDYIMSA-N 474.514 0.205 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1802490977 WROBOGGHGJYQJA-WEYBXKGQSA-N 466.498 0.520 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812390712 AKVZEBLADAKTND-IUCABKQXSA-N 458.519 0.102 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1814063564 KQVLONAZMFAADB-ZTCOLXNVSA-N 479.537 0.689 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)[nH]n1 1814439076 YUQGNDPNHAPLHO-VTFYZGIISA-N 475.502 0.755 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1825102564 OFVORNVFGYTBBU-HKUYNNGSSA-N 498.584 0.092 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1828578989 AVUDRIZQBMIUGE-KYTVRQNUSA-N 498.580 0.988 30 20 JCED CNC(=O)CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1 1828919435 BKBKXOLKDNWEPL-DEOSSOPVSA-N 467.526 0.878 30 20 JCED CNC(=S)NCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829132321 ATHGDBFTGNTVHV-QHCPKHFHSA-N 486.598 0.836 30 20 JCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829205809 DOBAVEPZGRCVHQ-MCEYFSPLSA-N 482.581 0.965 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829331137 ZUYNRRZFRZVZFS-IQGLISFBSA-N 498.536 0.441 30 20 JCED CN1CCN(c2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)cc2)CC1 1829695166 HDETXNWUXMPUID-RUZDIDTESA-N 467.570 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4sc(N)nc4c3)C2)C1 1829765175 KGJIQPQKDMMCOY-UZQCKINESA-N 485.566 0.807 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)cc1 1829901462 CJDFQOSUQLGBAD-JOCHJYFZSA-N 453.455 0.072 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)nn1 1829904282 NIMAQXOGKAHKOW-HSZRJFAPSA-N 451.483 0.670 30 20 JCED CN1N=C(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)CCC1=O 1830457769 FLLXPDRBCHWPLQ-XMMPIXPASA-N 467.526 0.555 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830661260 FUVUONXOCPJWLS-NTKDMRAZSA-N 456.543 0.906 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831192319 DCSXTXZWMKOGFZ-DEOSSOPVSA-N 456.543 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1COc3ccccc3O1)CCO2 1831222895 KEOBBMYTJTWANJ-YTRVONPVSA-N 485.537 0.531 30 20 JCED CC(C)[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)N1Cc2ccccc2C1=O 1831345951 KPUICPINRGCGII-WIOPSUGQSA-N 483.521 0.211 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1831398483 CVEWQOXFEVBWRN-ZHRMCQFGSA-N 454.527 0.247 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(Cc3ccccc3)C(=O)OC)C2)C1 1831402252 RSQWXXMFLTUMRJ-NLFFAJNJSA-N 487.553 0.750 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831451642 HQQSWUKEMBBKJO-WZONZLPQSA-N 477.583 0.628 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1832454715 ZZOIAMNQQKDAQM-OAQYLSRUSA-N 483.612 0.615 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2)C(F)(F)F 1833028998 ZEEZQRPAXXDNJS-RBZFPXEDSA-N 486.447 0.568 30 20 JCED CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1833663334 RNBREZOSGHVDOE-FPHRNUPISA-N 475.546 0.747 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCS(C)(=O)=O)C3)C2)c(O)n1 1833702400 UOOUKYQVABJLLG-JOCHJYFZSA-N 481.571 0.411 30 20 JCED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)C(=O)O 1834739403 MHTPHWXFXGXEPK-QLEVFDGYSA-N 467.567 0.150 30 20 JCED O=C(O)c1cnncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100219 GYPXURRYZASGEC-HSZRJFAPSA-N 450.451 0.297 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1835240234 WSINOYVPAXCSKI-FDDCHVKYSA-N 485.578 0.575 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c1 1835542074 ZKYVGFNUDQBKKP-KKSFZXQISA-N 480.458 0.108 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)Cn3ccccc3=O)CC2)CC1 1835767603 GQOYINXVQZUHRI-IOCYEQIYSA-N 473.574 0.949 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1835840303 KRSZPLWASJCJBL-QHCPKHFHSA-N 469.586 0.823 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836111249 MNMHVVHQSBIHLN-HRAATJIYSA-N 450.561 0.598 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836643784 KZBRHJFKAGLDJM-HTEBCRKTSA-N 455.511 0.305 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1837524281 DVADEVJZOKFELZ-BROWTRMISA-N 467.910 0.729 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])CCO2)C1 1838600824 CVXMIVHRXVNQEP-QRQCRPRQSA-N 477.470 0.417 30 20 JCED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)nn1 1838832640 XHUXLKVEQDIRSW-XMMPIXPASA-N 481.509 0.896 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cc(C)[nH]n4)C3)C2)c(C#N)c1 1839132956 UTUMKWMVWZIVGQ-XMMPIXPASA-N 467.526 0.840 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1839173747 JPFDLSQCVKVXKX-QHCPKHFHSA-N 471.514 0.617 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1839175759 CUCSMLDCZZOOCA-QHCPKHFHSA-N 464.490 0.897 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)CCOC1 1839191775 NODNCMZYCLVKDV-RTWAWAEBSA-N 452.508 0.040 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839213860 DFYWLFFGRYQDOW-WAQKVGIPSA-N 461.540 0.564 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839351151 SLBCJEAVYMGVAG-OXZVPYCZSA-N 474.514 0.385 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487630 CTEQOLZPKVTYPH-NFOSPISASA-N 467.482 0.624 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2)C1 1839805336 JNBLOYOWDYCBMV-DFBJGRDBSA-N 491.585 0.882 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(Cc3ccccc3)c3ccn(C)n3)C2)C1 1839810056 BFGGTRWQHYFPTB-VWLOTQADSA-N 465.554 0.906 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839866347 WSVIWGRKRKJPFO-ZGNKEGEESA-N 480.562 0.178 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1840157199 HTHXCAZGMAYVHC-IERDGZPVSA-N 475.608 0.693 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)c1 1840713293 AYSDSSRWKQVWPU-SBUREZEXSA-N 454.531 0.224 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@]3(C1)CN(C(=O)C1(C#N)CCC1)CCO3)C2 1840815554 YMIPUVUPXGXPBD-BVZFJXPGSA-N 499.568 0.772 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840901547 LZYFYVNDBDQDRP-MWFLLRNESA-N 482.537 0.973 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1840906894 LEPPFTBIWZGIDP-HXOBKFHXSA-N 463.531 0.339 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840909602 XGBGCJBZJUGGKV-YADARESESA-N 488.541 0.307 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1845131215 GUGCOIMKMPQYNV-KRWDZBQOSA-N 472.542 0.812 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)COCCOCCOCCOC)C2 1845189614 VMVCIJFADGRNCG-UHFFFAOYSA-N 456.536 0.395 30 20 JCED C=C(Br)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1846296528 TWFYUSGSDRKZIP-ZDUSSCGKSA-N 487.399 0.865 30 20 JCED C=CCN(C(=O)CSc1nnc2nc(NCC)nc(NCC)n12)[C@@H]1CCS(=O)(=O)C1 108937964 ZTHZUCKPDGKFOC-GFCCVEGCSA-N 454.582 0.677 30 20 JCED NC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCC#Cc1ccccc1 478222897 DJUXULGXJRAAPN-SFHVURJKSA-N 457.508 0.538 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C)c1C 502045278 PYSDGZMSTKDXMI-HNNXBMFYSA-N 451.552 0.904 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 516446426 SPYDYJRUQGQSJD-UHFFFAOYSA-N 490.480 0.425 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(F)cc3)c2=O)cn1 523858265 HGXUOSMFFUUPOO-UHFFFAOYSA-N 453.499 0.616 30 20 JCED CN(CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)S(=O)(=O)c1ccc(C#N)cc1 603743534 KEVOGHHMORJHLP-UHFFFAOYSA-N 469.523 0.067 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccn3)c2=O)c(C)c1 603790294 XWVVAQMHPJAQFO-UHFFFAOYSA-N 489.601 0.862 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828427 SWCUQFMGZUZMJE-UHFFFAOYSA-N 476.558 0.962 30 20 JCED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 608912060 MIKGDYFHJIMUIB-UHFFFAOYSA-N 496.633 0.794 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 618433632 NHRZALHKYJUJHR-UHFFFAOYSA-N 489.619 0.910 30 20 JCED CS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 726105400 BBJOKJJTTAEKLD-QQMHEVNUSA-N 453.590 0.532 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(C(=O)OC)cc3)c2=O)c1 726579717 BYVSOZUKZOZBAG-UHFFFAOYSA-N 487.537 0.933 30 20 JCED CC1CCC(NC(=O)CN2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 728281311 GVZWWJCDYCTLLH-UHFFFAOYSA-N 475.615 0.954 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1 728608491 CNUOGQLLAVWBCP-VWLOTQADSA-N 461.522 0.500 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCS(C)(=O)=O 729673400 NMCIQTLWDCWQDD-UHFFFAOYSA-N 477.608 0.309 30 20 JCED CS(=O)(=O)N1CCC(C(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)CC1 744938042 ILZZWRIXXLHZMF-GOSISDBHSA-N 458.544 0.952 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 918285593 PIKREJZOBBMVFI-ZDHNHOGNSA-N 456.546 0.083 30 20 JCED CNC(=O)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918475855 GPYFZQHFSRPMBN-ULJHMMPZSA-N 451.549 0.861 30 20 JCED COCc1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 920904885 FERUOTBZWBOEGT-UHFFFAOYSA-N 464.525 0.851 30 20 JCED N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)cc1 1168716806 RIZKQSKRMJCMNQ-UHFFFAOYSA-N 453.524 0.641 30 20 JCED N#Cc1ccc(NC(=O)CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1Cl 1191753920 PODDHYPFAXEARU-MRXNPFEDSA-N 453.952 0.071 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(F)cc2)C1 1302485514 SBPWASYQBLGLLF-QZTJIDSGSA-N 464.523 0.722 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314543954 KUOPNKXPSMRUFV-SJLPKXTDSA-N 451.597 0.630 30 20 JCED COC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315131915 ZRWHJDZYYJLEEW-OAHLLOKOSA-N 462.580 0.907 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1504530206 SCZRJBGODCRRHY-QBPKDAKJSA-N 456.569 0.258 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 1508278275 HERZICUUKFYZNG-KRWDZBQOSA-N 450.547 0.648 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1 1541116115 JVXKFXUJOUHFLL-GJZGRUSLSA-N 476.650 0.155 30 20 JCED CN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1554279241 PSJQPUKRAFAIEQ-KGLIPLIRSA-N 450.487 0.793 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1722765573 QJSXFLLTMMBBHL-IPJJNNNSSA-N 493.634 1.000 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)N1CCOCC1 1723613384 YWKLZXZFMKNAFP-UHFFFAOYSA-N 481.561 0.258 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1729222607 QQNYZTUSESUDFD-KRWDZBQOSA-N 461.592 0.913 30 20 JCED CS(=O)(=O)CC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CC1 1731000762 LTFHQFGOQHFFOZ-CQSZACIVSA-N 464.573 0.823 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(CO)c1 1741939733 CFCXQRCWJNHBFA-HNAYVOBHSA-N 459.576 0.605 30 20 JCED C[C@@H]1CCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1743118979 VDKRGQFGBVSABR-SJLPKXTDSA-N 451.597 0.835 30 20 JCED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)n(C)n1 1762400499 LVZYKJNLFTWKDL-PXNSSMCTSA-N 462.580 0.831 30 20 JCED COCCN1C[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1=O 1769885283 YKIPKHYZSKCTJY-ZWKOTPCHSA-N 464.592 0.805 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777887874 KCBJQLTXZGXIGB-HOYKHHGWSA-N 454.527 0.950 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778002665 CTZXESFXGHZTBD-YBJWPOLQSA-N 479.622 0.483 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1778056849 FKABVYHHTCEBRV-XDGWQTLNSA-N 473.574 0.994 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1780174934 DASNEXOAORFZFO-IBGZPJMESA-N 454.405 0.689 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1780334642 YLSFZOBRVBDFOM-QSAZIKIQSA-N 473.530 0.558 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)CC1 1781170855 ARWCGOGVWHLTJE-JOCHJYFZSA-N 478.550 0.025 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781177500 YUVHENKOVUCBBT-QFIPXVFZSA-N 459.572 0.423 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCS(=O)(=O)CC4)CCO3)C2)c1 1782055483 YDQRWAZCCYKQSJ-QFIPXVFZSA-N 460.556 0.041 30 20 JCED O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CCN1 1782270253 NWGMETXMZMIUEU-CXWBOKMPSA-N 450.536 0.556 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782682523 JNHXHMOBRJZVGB-MWTRTKDXSA-N 489.529 0.308 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C(=O)OC)cc3)C[C@@H]21 1783532839 JCOLIQCISUHNEL-LEBGWRHOSA-N 469.538 0.854 30 20 JCED COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1783667454 YBTPKLYMEFHLNN-WWOVWOHCSA-N 451.520 0.598 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1784196938 WJKJBJWZVPJQFM-VJANTYMQSA-N 495.621 0.524 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784354619 ABPLEZFRZISNFD-MHECFPHRSA-N 499.524 0.056 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785328122 JKJUSSOGYPOVAJ-BSZJXLGXSA-N 460.531 0.564 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785367362 LDJYXNGQCPAZQH-OPAMFIHVSA-N 450.536 0.786 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787152432 QBGBTGYVXAZMCK-WSMBLCCSSA-N 467.548 0.232 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2C1 1790231087 TYTLUJIZPGARBU-YMFLFHJQSA-N 464.906 0.869 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791390239 JFPKEPCZZWPEIS-XSLAGTTESA-N 490.557 0.361 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NO[C@H](c3ccccc3)C1)C2 1792489055 BRQKGVDFFSTLGL-ICVKDSPJSA-N 452.511 0.952 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1792490358 PRMTXAYYWUOELP-JUUPIIADSA-N 464.522 0.344 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792634480 GOSIZRDYKKHHHO-MVJTYMMSSA-N 474.562 0.985 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794005687 BBJQAFQLKHVITR-LORHWOILSA-N 490.517 0.298 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)(n2ccnc2)C1 1795083235 FYOORJSKSGRXBG-PDPLOHQNSA-N 472.546 0.722 30 20 JCED Cc1cnc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)cnn2c1 1797420065 FPSXNZOXNREOBM-CVNDOJEUSA-N 456.503 0.770 30 20 JCED Cc1nn2cc(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3(O)CCCCC3)nc2s1 1797780988 SRNBUVBOGCPFNP-UPHUGPLXSA-N 471.583 0.930 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)[nH]2)N(C(=O)OC(C)(C)C)C1 1798183618 ZQHPBMLPHWVNSR-FSDCSDTHSA-N 461.519 0.884 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1799232692 XKBQSKWPTFXPMG-UJMXGEILSA-N 460.575 0.801 30 20 JCED CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc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c1nsnc1NC)C2 1802125217 QKTYKZPORXAPNH-XGUBFFRZSA-N 478.575 0.700 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)c2cc(C)on2)[C@H]1c1cccnc1 1803548522 LKKXGGVLRDPKMF-MMOPVJDHSA-N 453.499 0.852 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1803553558 UNQJMRBBOQNXMT-YVWKXTFCSA-N 453.499 0.397 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COc1ccc(O)nn1)CC2 1814984315 RIBGSZBCUWBTAR-LBPRGKRZSA-N 459.532 0.912 30 20 JCED O=C(CNCP(=O)(O)O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1817236125 WZSCUELKNXDIKP-SLDJAQPHSA-N 455.456 0.598 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822622430 PTRKKUDVSPBZMU-VRKREXBASA-N 477.587 0.695 30 20 JCED C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2)N1CCN(C)CC1 1822684020 AYLBAFOFDTVZPZ-JKSUJKDBSA-N 461.636 0.973 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1822920752 QZUYHRDDVXIAQV-CQSZACIVSA-N 484.600 0.295 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828632958 UUCJRHTZQVHOFS-MHECFPHRSA-N 496.524 0.340 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1)n1cnnn1 1829396455 JLEYJQFMOJCVQE-JTSKRJEESA-N 466.502 0.600 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCN2C(=O)OCc1ccccc1 1829474922 WKNYOPBITQSPCA-NBGIEHNGSA-N 483.521 0.953 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)cc1 1829626967 QPDMVFGZQXNQHP-DEOSSOPVSA-N 472.611 0.996 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ccccn34)C2)C1 1829766416 XQPAYAVSCGHLCB-WEHRJKGCSA-N 467.526 0.571 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1830575815 YZBDHYLQJZXSSU-CYFREDJKSA-N 488.541 0.514 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1831213712 UIIVQTRGGPOUSQ-ZEQKJWHPSA-N 467.566 0.757 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1831393897 RANPGEUEKOUMNJ-YZZKKUAISA-N 483.562 0.021 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(c4ccccn4)CC3)C2)C1 1831397316 QQPRCYMTPPEAFG-NLFFAJNJSA-N 470.570 0.793 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1831420975 BPZIJDXEMZGZIP-WZONZLPQSA-N 455.515 0.928 30 20 JCED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831516617 FTPKVQZVIQAJJU-OWSXEPHWSA-N 459.543 0.973 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C)C2)C1 1831997511 BNBKBNJYJDDILB-MBSDFSHPSA-N 468.595 0.864 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251572 IVVRHOSDWFJARB-LRDDRELGSA-N 471.404 0.599 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)Cn3cncn3)CC2)CC1 1833075054 MIRJVXHEUWLJJQ-PYTPGESOSA-N 457.579 0.344 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1 1833401583 SYFMFTSHMZAAQM-OAQYLSRUSA-N 462.528 0.249 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CN4C(=O)CNC4=O)CC3)CC2)c1 1833678058 VPTDTCNSRBROKS-UHFFFAOYSA-N 482.541 0.304 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(C)cn2)CCO3)c(C#N)c1 1834084070 HHHGRKOEHRAZDA-XMMPIXPASA-N 465.510 0.978 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cncnc2)CCO3)c(C#N)c1 1834307016 SAXBEGQZDUTKDU-HSZRJFAPSA-N 451.483 0.670 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1835245426 SZGGMDRBHOPSBA-NTKDMRAZSA-N 499.605 0.965 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])c5c4OCO5)C3)C2)CC1 1835345116 DGNZEKTYIDGXQB-NRFANRHFSA-N 458.427 0.697 30 20 JCED CCOc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835667757 PGLCCEGJTDIMDU-QHCPKHFHSA-N 459.547 0.832 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1835680632 ISRUUWGRQVPUHE-HXOBKFHXSA-N 458.563 0.253 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1835682446 JHKAMXAONFUMDR-XMMPIXPASA-N 468.558 0.775 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1 1836862726 VZROBYFWJVGFDL-KRWDZBQOSA-N 474.514 0.793 30 20 JCED Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)cnn2c1 1836949662 VCIPMRRVPSAUNQ-CYNIRRGWSA-N 486.529 0.637 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1837529586 VVOUULDBPVILNK-BVONVKGESA-N 471.514 0.933 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)c1ccccc1 1837615278 FPDNIXLHDNZPCL-WATLYSKOSA-N 453.539 0.776 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837833533 BHVSOOXSCXYJOB-FQEVSTJZSA-N 450.927 0.482 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838036344 MWMNDGNOQGLPEI-HXUWFJFHSA-N 456.446 0.858 30 20 JCED CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)ccn1 1838721852 YDJCIMCWRFFWPN-DEOSSOPVSA-N 487.557 0.610 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733006 JEFSQXRCQRPINL-GAJHUEQPSA-N 452.515 0.962 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3nccs3)C2)C1 1839173878 RJFLFGXRCZBNTR-IIBYNOLFSA-N 466.560 0.909 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1839173994 ZIVPUTZTKMBSTK-BWKNWUBXSA-N 471.554 0.667 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1839174803 XTVBBXKNTZQLAQ-XMMPIXPASA-N 483.525 0.847 30 20 JCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)nn1 1839187552 IZLNVSSKGJVPLQ-QHCPKHFHSA-N 469.473 0.809 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cc5ncccn5)C4)C3)c2c1 1839487318 AYBIJHUEDCGNQR-HSZRJFAPSA-N 461.482 0.537 30 20 JCED Cc1ncncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488554 YQPPPIIKSVCBLO-HSZRJFAPSA-N 461.482 0.917 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839678399 WIOLAYDWTXVPFJ-NGMJZNPLSA-N 451.612 0.892 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839692493 ZZRKRTFYOSPFIF-HOYKHHGWSA-N 458.559 0.431 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)CCO2)C1 1839803883 BCAYODZEKDDLLA-RXFWQSSRSA-N 499.564 0.750 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1840165625 DXVKQPKNXPVZAP-PDSXEYIOSA-N 471.576 0.687 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840274340 CYFGNYMXRUGCBD-LHFZJPHTSA-N 453.536 0.523 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1cccn1 1840442421 DGZNAMJXOFGYKY-QMHKHESXSA-N 463.498 0.962 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840445934 VCGKQRLSXURIFP-JOCHJYFZSA-N 457.918 0.830 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840571614 DAPCXCVFVMKVRR-CYFREDJKSA-N 480.606 0.864 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1840818674 PFVDSACUFZUXBH-QHCPKHFHSA-N 485.472 0.803 30 20 JCED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c(=O)[nH]c1C 1840818810 YRLCHNDRWSWOHX-XMMPIXPASA-N 481.509 0.407 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840819238 XOWQULBRIPKQNC-QHCPKHFHSA-N 453.451 0.660 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1840820664 DCIBSQGAKMVLPA-QHCPKHFHSA-N 453.499 0.749 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840840072 WCBQRTJDFWWANJ-MWUGDXRPSA-N 479.530 0.390 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1840956444 XPBGESCUZXNQJC-JKJLQIMHSA-N 493.605 0.972 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1845230711 WAUCFTSSQOUITI-LWAFKECKSA-N 468.551 0.995 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc(C)n2)c1=O 514469156 AIZZQVFJJVCSOJ-UHFFFAOYSA-N 493.680 0.379 30 20 JCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 517336221 LUDPPQDXWSAMDV-UHFFFAOYSA-N 498.565 0.570 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(C(N)=O)cc2)c1=O 523257281 PICVZDJZPKMECM-UHFFFAOYSA-N 460.515 0.788 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC(F)(F)F)cc2)c1=O 619539307 CQJCQGDCARBUSK-UHFFFAOYSA-N 496.511 0.780 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 730783786 VTSCVAMTDLAOJU-SFHVURJKSA-N 477.587 0.481 30 20 JCED C=C(C)COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)ccc1OC 747079506 DHWOJPVQDHGCSZ-UHFFFAOYSA-N 499.589 0.882 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1CCOC 748784042 BUAFTCJEROVJBM-UHFFFAOYSA-N 460.512 0.892 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 858085678 ADWSZAPXWXIJFI-ROUUACIJSA-N 462.572 0.990 30 20 JCED C=CCOc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1OC 915269098 KOBCYUPOZZBZDW-SOFGYWHQSA-N 464.588 0.910 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C(=O)OC)cc3)c(=O)n2CCOC)CC1 916199551 ICKKATVUXYAKNX-UHFFFAOYSA-N 484.578 0.010 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)c1 918271395 XHUWQGGHJFBPHY-XWFHWFJUSA-N 474.539 0.994 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 918296594 CNBJZQDKNWICKT-LTXLMFNASA-N 491.570 0.288 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)C[C@@H](C)O1 1115913549 PNOMSVOLQVEFKO-SCTDSRPQSA-N 475.571 0.409 30 20 JCED Cc1ccc(S(=O)(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)s1 1492437254 VHEUPJOJBKQTJG-HNNXBMFYSA-N 479.588 0.478 30 20 JCED N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1555992255 LRGSMKGZFXABBP-DNVCBOLYSA-N 469.470 0.825 30 20 JCED CSc1nc(O)c(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1C#N 1567787725 YTJPOWMRKGFAMH-UHFFFAOYSA-N 453.468 0.972 30 20 JCED Cc1sc(NC(=O)CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C 1642102517 SDZCZOKZSVTTNJ-OAHLLOKOSA-N 453.590 0.096 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCC[C@H]1C 1706887871 SHOOHZRDULKXAH-SOLBZPMBSA-N 450.613 0.549 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740803652 UHKKZNCMNVMVST-CABCVRRESA-N 497.043 0.272 30 20 JCED COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)OC 1749344475 LEXHFCCUARXZNY-PKOBYXMFSA-N 455.519 0.946 30 20 JCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(=O)(=O)c2ccccc2)C1 1750378751 LXIXAQOTGVCHFF-HNAYVOBHSA-N 482.563 0.601 30 20 JCED N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC(=O)NCC(F)(F)F)cc1 1750384224 QYTZPEWENDVDGE-ZDUSSCGKSA-N 451.409 0.719 30 20 JCED CC#CC[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2)c1ccccc1 1779478112 GFJIPTQTKOHSNV-FKCDAAJZSA-N 485.625 0.984 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(c3ccccn3)CC2)C1 1780555022 KMLMDOKXYPDEIX-NTKDMRAZSA-N 454.527 0.900 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)ccc1Br 1781045650 WKSBJQKNADZNEB-RIFZZMRRSA-N 463.332 0.487 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1781294711 IDYPXCMHPKERQW-PNLZDCPESA-N 477.566 0.924 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CCOC1 1781310636 VSRNFRCIGZITOL-JTLGAQIJSA-N 493.605 0.972 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CCO2)C1 1781394221 BAPSAEAESHZAPA-WNSKOXEYSA-N 481.513 0.815 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781396156 NXEZDADSGNHNOH-REWPJTCUSA-N 487.594 0.704 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)c1 1781561492 HWLILCUYLOFRDQ-XMSQKQJNSA-N 468.470 0.784 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c(C(F)(F)F)n1 1783160947 XPWHSIOXMXKETD-HXPMCKFVSA-N 451.405 0.552 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F)CCO2 1783565243 ILJNCUQULKIHGL-NRFANRHFSA-N 481.427 0.495 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1)c1ccc(O)cc1 1784018028 DLKJTCFVQUGMOF-WWEVIYMKSA-N 457.527 0.782 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CC(=O)NC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088444 FKSPOEYRRUCWBU-KSFYIVLOSA-N 450.536 0.518 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1785575555 DILZNEYMQOOJMH-KSFYIVLOSA-N 462.503 0.527 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1785594674 XHWXBLPZCQELHA-ZBWOKKAISA-N 462.547 0.564 30 20 JCED CCOc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)nn1 1788660221 BUVADUHSXABKPF-RSGOWTOPSA-N 461.519 0.998 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)C(=O)Nc1cccnc1 1788716205 SFUJTULAPBKXQH-FODOPFFASA-N 459.503 0.529 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccc(O)nn4)C[C@@H]32)c1 1790226652 JFUXBUNCWBPLPW-ZVZYQTTQSA-N 455.446 0.865 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1792258421 CUGSNDCZMMOOLG-BRHFBXIFSA-N 495.573 0.499 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1793345860 SWSTWYARAQBZCU-YGBCKFAYSA-N 465.547 0.298 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)C2 1793359073 KEEBIWLVJQUFFW-BDEKUHOQSA-N 479.574 0.946 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCS(C)(=O)=O)C3)c(O)n1 1794490363 FFMLMXPQGFXFGH-CCWDJLKJSA-N 451.545 0.544 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)cc1 1795413207 YOYYSLILGFDGNV-OPMZPASUSA-N 454.527 0.985 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795533943 BSDWLNCCDUAUAT-OREBXVKISA-N 481.594 0.028 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)OC)C2 1797668903 DBCABBWUTAYETK-AVEIZBFRSA-N 498.577 0.416 30 20 JCED Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/O[C@H]3CCCCO3)cnc2s1 1797811611 CVTPWZGKDLEGDN-KZNDPNRCSA-N 489.554 0.797 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)N1CSCSC1 1797841997 GCCUAHDVLLBYLB-NXOAAHMSSA-N 455.650 0.901 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12)[C@@H]1SC(=N)NC1=O 1799882534 UTHOOCCZVQJMKT-JPGLSNARSA-N 481.538 0.440 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1802158558 JNJGTQGGYQVNPQ-UPHUGPLXSA-N 463.531 0.449 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCNC(=S)NC)[C@H]1c1cccnc1 1802482904 PVXTZZHQBSDPPP-ZVYDBLGCSA-N 458.588 0.430 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2c2cccnc2)N1 1812443190 ALUAYRPBVLKTCD-AWWSKVOZSA-N 495.605 0.681 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1)C(C)(C)O 1814218916 FVYGBNCYBYCDLB-FFZOFVMBSA-N 488.541 0.840 30 20 JCED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1815207112 QSECYOLFICGFBX-HNNXBMFYSA-N 455.479 0.824 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1819425325 XJVSIWJWTNDYCY-HZPDHXFCSA-N 456.503 0.699 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1 1825661674 ZWSFCEUSALMFMP-KBPBESRZSA-N 490.563 0.819 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnnn3C)CCN2C(=O)OCc2ccccc2)C1 1828642194 RZMLXGIKUPGPHG-DFBJGRDBSA-N 494.552 0.919 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310353 VKGUNHBYGHQYBF-NLFFAJNJSA-N 466.538 0.988 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccc(=O)oc3)C2)C1 1829332357 HMLHBJGHPPGQBU-RUZDIDTESA-N 493.472 0.794 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C(C)(C)C)c3)C2)C1 1829764210 HRSBBZRWJIBAAN-FUMRIQNTSA-N 459.547 0.567 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccccc3C(=O)OC)CCO2)C1 1830888493 VEMCSXYDCRYGBY-KBMIEXCESA-N 472.538 0.901 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831280405 CICJMKKVNQHMRS-ZGNKEGEESA-N 480.562 0.048 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1)NC(=O)OC(C)(C)C 1831280793 JFCLRRAUULXRIF-HXOBKFHXSA-N 482.578 0.438 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831432609 BZNLFTWWHAGZMP-ZGZPNVMRSA-N 469.538 0.944 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1831437954 INYAXHFKMQKVTD-KOSHJBKYSA-N 476.526 0.900 30 20 JCED COCCOCCOCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831498798 QRELRGIJOJSMMS-RBBKRZOGSA-N 492.635 0.093 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1831997987 BFSIHWMYMBBSLQ-IECBHUPTSA-N 496.605 0.827 30 20 JCED C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C(F)(F)F 1832167839 XZCYZFRNUDWWLC-UXHICEINSA-N 471.432 0.707 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833617260 GUBCBQGUTXDPER-HRAATJIYSA-N 450.561 0.307 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cccnc3C(N)=O)CC2)CC1 1833918911 WBPDIXBNUPGHRD-LJQANCHMSA-N 457.575 0.939 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)c1n[nH]c2c1CS(=O)(=O)C2 1834912328 FRXWNNCXURWSRA-UHFFFAOYSA-N 459.572 0.437 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)c1ccc(O)cc1 1835128541 ZKMSYKCXDFNGFF-QYXIYQDXSA-N 469.538 0.624 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835620630 GWWNQYKAOVWQJM-MHECFPHRSA-N 480.606 0.748 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1835675070 UWEMGDNSHXKPQI-XMMPIXPASA-N 481.557 0.619 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2[nH]nnc2C)CCO3)c(O)n1 1836298914 NMRRHINGGCKONT-JOCHJYFZSA-N 456.503 0.716 30 20 JCED CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)C 1837221186 HROGLQBSDXUOCZ-JPHKLTHBSA-N 452.552 0.502 30 20 JCED CCOC(CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)OCC 1837493360 AQOMCGJSLNIIIE-XMMPIXPASA-N 466.575 0.931 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527026 INDUHRWFHWAGHS-FIRSQWHBSA-N 475.546 0.867 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1)c1ccccc1 1837613079 VHCJDWCMJKFMTB-OFNKIYASSA-N 462.568 0.685 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Cn2cncn2)CCO3)c(C#N)c1 1837647845 YFDBLLSPNFROKQ-HOYKHHGWSA-N 482.541 0.494 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)c1 1838366725 WBRDKEUSZJUGOF-QHCPKHFHSA-N 451.483 0.757 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])CCO2)C1 1838542564 IMCKETNKCVZYOX-HXOBKFHXSA-N 474.514 0.769 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCN(c3cc(NC4CC4)ncn3)C1)CCO2 1839038771 BIWLKKSGRDLJDP-UUOWRZLLSA-N 468.558 0.357 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138925 MDODIMHKCPVKEQ-UUOWRZLLSA-N 499.605 0.557 30 20 JCED Cc1cccc(C)c1NC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839157049 HHSIKCCCNJKDOR-RUZDIDTESA-N 485.585 0.980 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)ccc1F 1839187482 FRAISOSKHRRMHY-VWLOTQADSA-N 492.511 0.982 30 20 JCED Cc1nccn1CC(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187867 CDQGYXYWGAYSKJ-HSZRJFAPSA-N 455.490 0.901 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210491 RCWRKGZHOGXIOA-CYFREDJKSA-N 481.590 0.912 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)c1 1839419772 UMGOPFOCVAQQLP-OAQYLSRUSA-N 472.433 0.572 30 20 JCED COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)cn1 1839420058 KSNJHAGOEQZMHQ-QFIPXVFZSA-N 455.446 0.880 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839561664 LBISCNSRPCKAIM-HSZRJFAPSA-N 456.499 0.914 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=C(\C)NC(C)=O)CCO3)C2)c(C#N)c1 1839648112 SROVNUDDXQBSSO-GOOYREHVSA-N 470.526 0.606 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1839716671 VSURXPOXCLEQQZ-RUZDIDTESA-N 484.553 0.852 30 20 JCED COc1cccc2c1C[C@@H](C(=O)N1CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C1)CC2 1839795087 XSVJBCIQPGPTPH-UUOWRZLLSA-N 456.495 0.345 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](F)CN3C(=O)OCc3ccccc3)C2)C1 1839809029 BWWLUUSGNWNOLT-SKPFHBQLSA-N 473.501 0.825 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)cc(C(F)(F)F)c1 1839872656 KMBYNTSUOVSNJI-IIBYNOLFSA-N 480.443 0.783 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc(OC)c1C)CCO2 1840069256 XPKMGIFVBXAGKQ-KWQGRVAKSA-N 471.554 0.861 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1840158453 LYJYMCJQNIPAJR-MWTRTKDXSA-N 475.567 0.838 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840164770 QCJXMKXVCCNJGT-MFEFFIJZSA-N 499.630 0.787 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1840384638 FAZNVSBXZPZRSM-GSYMPFBVSA-N 463.535 0.649 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3)C2)C1 1840908610 CQPWLJZIMFZJKN-VGSWGCGISA-N 462.503 0.661 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1841608956 ZLHUDODZQHWDQP-KRWDZBQOSA-N 454.531 0.974 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC3(CCCN3C(=O)C#Cc3ccccc3)C2)N1 1842731478 LLAASFONSQSMBE-RBUKOAKNSA-N 466.563 0.422 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cncn1)C2 1844215415 DBDLXWSKXQVFEH-MRXNPFEDSA-N 491.549 0.287 30 20 JCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2)NC(=O)OC(C)(C)C 1846934163 NCNGKDHCUYFDEL-HUUCEWRRSA-N 463.535 0.647 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 495319831 UIEJMDWMGAQHHK-UHFFFAOYSA-N 453.480 0.910 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)cc2)c1=O 501774126 JXAGRBJRRWJBPS-UHFFFAOYSA-N 475.954 0.878 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)N3CCN(CC)CC3)sc(=Cc3ccnn3C)c2=O)cc1 502048927 HXYSNHGIPBDUMO-UHFFFAOYSA-N 492.605 0.698 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(F)cc2F)CC1 502049928 OBUIWIUWTIOTNL-UHFFFAOYSA-N 484.532 0.578 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCC#N)CCN3CCOCC3)cc2)CC1 502555569 REAUDIXPKKAAAB-UHFFFAOYSA-N 477.587 0.227 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)cc1 506237935 JJENBOZKECPUMJ-UHFFFAOYSA-N 473.559 0.359 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C1CCN(C)CC1 517980912 YBNRGPDJYWMRSI-UHFFFAOYSA-N 498.605 0.603 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(OC)nc1 524275112 KVZIDHKDVDJXET-UHFFFAOYSA-N 466.519 0.577 30 20 JCED CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CC2)c1=O 590998832 LNJICLOGBXBKFA-UHFFFAOYSA-N 468.579 0.595 30 20 JCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2)cc1 604464890 SQKUUUZNYSBUBT-UHFFFAOYSA-N 491.504 0.819 30 20 JCED C[C@]1(c2ccc(CNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)NC(=O)NC1=O 726167803 LIGXMOKRJDLMLN-OAQYLSRUSA-N 455.496 0.486 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1ccccn1 726182455 UKJAXHKABKAAKH-UHFFFAOYSA-N 450.568 0.927 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)c1 729672675 BNBPOZUIPIEQOH-UHFFFAOYSA-N 493.607 0.007 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NCCCN1CCCC1=O 804946163 ZDEFMVSDZNUWKU-DEOSSOPVSA-N 468.510 0.823 30 20 JCED O=C(COC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)NC(=O)N[C@H]1CCS(=O)(=O)C1 809684392 AKWARSAFTAFDLG-ZRQQLDRUSA-N 477.417 0.913 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(C(F)(F)F)c1 838102984 BRJGHTXJAKKPBV-UHFFFAOYSA-N 477.468 0.917 30 20 JCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NCCNc3ccc(C#N)cn3)CC2)c1 916521023 SAWMAUCNGHZAGD-UHFFFAOYSA-N 478.556 0.929 30 20 JCED COCCN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918264377 CGNIGKBLGOPSIC-NKFKGCMQSA-N 453.565 0.522 30 20 JCED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918304281 WHTNBOQGNNZUSW-NCELDCMTSA-N 492.602 0.107 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c1 919020714 OHNLLHWDEVPOIT-UHFFFAOYSA-N 463.556 0.860 30 20 JCED C[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 919315113 CGHIREFHXCXZOS-MRXNPFEDSA-N 457.512 0.544 30 20 JCED CCCNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1294863378 MOGJKWUIINXTPF-KRWDZBQOSA-N 480.577 0.694 30 20 JCED C[C@H](CC(=O)NC1(CNC(=O)OC(C)(C)C)COC1)/N=C1/NS(=O)(=O)c2ccccc21 1301162154 VGAIVEBTLGQDLE-CYBMUJFWSA-N 452.533 0.914 30 20 JCED Cc1c(Br)c(C)n(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(=O)c1C#N 1306834426 SQKPTKGNGOOTCU-UHFFFAOYSA-N 452.290 0.667 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1314538978 URNVFIJBKFQULT-INIZCTEOSA-N 496.615 0.634 30 20 JCED CC1(C)CCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1510305562 LLWOCUCWODQZMM-GUXCAODWSA-N 468.580 0.281 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1516812382 LNEFAVLFUJLFIX-KRWDZBQOSA-N 467.573 0.787 30 20 JCED CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1547751355 ZUZAZVHHISZJBK-UHFFFAOYSA-N 489.602 0.973 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1741705417 ZSRGTNHFDQIZMD-IBGZPJMESA-N 485.614 0.898 30 20 JCED COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1769443673 VVMGXDBJZGHPCW-QGZVFWFLSA-N 454.487 0.587 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1779100183 UECDQEUPARRSHP-MFDGSOIASA-N 450.536 0.748 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138898 GYBFGVGBYHDUFO-VORNAUPZSA-N 453.499 0.742 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779396125 OYRYHQHOXGTZKL-NNMXDRDESA-N 483.631 0.527 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c1 1780177733 FZXXJCJUFXUIED-DYESRHJHSA-N 472.527 0.479 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1780701080 ZWHRKMSVULUZQF-OPAMFIHVSA-N 467.519 0.130 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1780894170 VCNXVKSVUPMYKW-DYRFGFBLSA-N 461.540 0.766 30 20 JCED COC(=O)N[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)c1ccccc1 1782009192 DZJCFDOSVNBHFX-HCLVMJGWSA-N 457.483 0.686 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)COc4ccc(Cl)cc43)[C@H]2C1 1784966465 XLYIDBDZBZJFHI-YEWWUXTCSA-N 475.885 0.133 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)[C@@H](O)C1 1786697355 UZEKDPHNBRVTBC-ATIWLJMLSA-N 462.547 0.498 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857794 DUTRDYSKHAKGGR-VJANTYMQSA-N 495.621 0.788 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)n(C)c1=O 1787878158 GPTLUDRTUCETNB-UHFFFAOYSA-N 475.509 0.872 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4cc(F)ccc4n3)[C@H]2C1 1788342320 ARLGQTFAJXYPKM-RVKHQLRBSA-N 455.490 0.925 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788600196 BSKJTHCIXJZBPU-XSLAGTTESA-N 463.531 0.844 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccccc4C#N)[C@H]3C2)CC1 1792146347 MQORLYSNLRPSBQ-FUDKSRODSA-N 483.569 0.081 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1793359109 NZYRIEXLMDENSP-OGJJZOIMSA-N 455.552 0.443 30 20 JCED CN1Cc2ccccc2C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598142 BOYNVJBXLQDUBC-LRSLUSHPSA-N 453.587 0.915 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796358669 JUQFQYAPKRTNSU-FWAWDVQESA-N 489.529 0.560 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1797836910 JCNZNZKRGCSDBQ-SWLPJZEISA-N 469.498 0.294 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)Cc1ccccc1NC2=O 1798434007 POHDUUSVXCTTHL-FCQWJQKHSA-N 477.521 0.739 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1799322005 XAHIWGVSZUJJFJ-YALNPMBYSA-N 491.545 0.951 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1800945048 PSTSTDRCNIQDIR-DMUMMCEESA-N 497.614 0.317 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)N(C(=O)OC(C)(C)C)C1 1801103427 NLSBYGZWXNDZIW-APAFKAMOSA-N 497.614 0.719 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnn(C)c1 1801422681 IYHRJSCHROEVHL-DMUMMCEESA-N 459.547 0.469 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1802233752 MKXPOKLMZAZGKV-QTMHVTGLSA-N 465.547 0.250 30 20 JCED C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1807017809 HSQCSOIRPIZQHG-NLWGTHIKSA-N 485.589 0.877 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1807025523 DDTWLOVOVURVLW-CINKFKDASA-N 463.431 0.524 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808469239 LBWUZISLGIPRSP-GAJHUEQPSA-N 459.462 0.968 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)cc1 1812712249 KFKJIXPGRVGWLT-WIOPSUGQSA-N 465.554 0.488 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(O)nnc3O)cc2)[C@H]1c1cccnc1 1812877851 QHPKAHFYQWQBJX-UZLBHIALSA-N 476.449 0.481 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1814215340 KEBKWVTUGSHVIF-BBYNXYBVSA-N 472.590 0.843 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829041910 GQCXIRRCDXPWCN-WZONZLPQSA-N 470.530 0.799 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829045198 WRRWPBQEVYCRKA-SFYKDHMMSA-N 477.631 0.679 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1829461388 WHGACSMBVKENID-NLFFAJNJSA-N 484.553 0.915 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1830042991 OUMJRPMCYOYAFC-LYSGITKLSA-N 464.544 0.215 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830179803 XIIVJUUSUHEMBP-HTAPYJJXSA-N 466.556 0.751 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)CC)CCO2)C1 1831191326 LXGRMGCSSYKTRC-GGUMNFRJSA-N 496.605 0.827 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3COc4ccccc4O3)CCO2)C1 1831228176 PKPJVNIGHDPYEU-KHCICDEESA-N 458.511 0.711 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1831387810 LEDLCGSAQRZCTD-CYFREDJKSA-N 457.527 0.253 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1831402434 YUMBYERPTGVQRO-BWSHLYMBSA-N 491.585 0.738 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1831425443 ACWYREPEEVYFRJ-HOYKHHGWSA-N 470.526 0.664 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1831482370 GUACVWZFLVOPJI-PNLZDCPESA-N 489.635 0.673 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2C)CCO3)c(C#N)c1 1833873224 QSXHBOYMZDGZKU-VWLOTQADSA-N 480.521 0.578 30 20 JCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1834518079 GNPWBLNJFZBAJF-UHFFFAOYSA-N 486.638 0.340 30 20 JCED COc1ccc(Cn2cc(CC(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)cn2)cc1 1834756263 QODVIOUTQAGMJR-XMMPIXPASA-N 467.526 0.853 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C2)C1 1834766145 ZQEXKRRAZPUUJY-MHECFPHRSA-N 483.573 0.637 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)Cn4cnnn4)CC3)CC2)c1 1834877138 QTJCBRMYZQZYLW-UHFFFAOYSA-N 452.519 0.439 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1835247367 OIVFMFSWHQOPTR-PUZWTLIVSA-N 497.589 0.575 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)N(C(=O)OC(C)(C)C)C1 1835312004 IQBBPRPBBWDEEC-YTZAWJCFSA-N 492.573 0.287 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342632 ZPTWVJKIMDWFDF-SBUREZEXSA-N 478.546 0.382 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347635 AJWROCJTDMILPL-DGGJZMOXSA-N 478.546 0.117 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c1 1835447605 HITACFQKJIBNOA-QHCPKHFHSA-N 460.506 0.490 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c1 1835542072 ZKYVGFNUDQBKKP-IERDGZPVSA-N 480.458 0.108 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@H](NC)C(=O)O)CCO3)C2)c(O)n1 1835755464 ZKJPJITUURBYPB-MBSDFSHPSA-N 476.530 0.039 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4cc5n(n4)CCNC5=O)CC3)CC2)c1 1836166969 GZOXUCXMGUNXLU-UHFFFAOYSA-N 464.530 0.325 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1837393655 YESDSDRTWWOXLQ-MBSDFSHPSA-N 462.547 0.164 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1837400512 HKWYECLFUJPJKZ-APJQNUAFSA-N 491.560 0.974 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1837491168 KJWDGVCGWAFXIV-AREMUKBSSA-N 496.564 0.824 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525752 PBNVAGYEDVQHDH-QLVJYEMTSA-N 489.573 0.977 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)no1 1837547029 KONFDXMNBXVRCE-DEOSSOPVSA-N 466.494 0.221 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1837868806 KGROJFAVYRDLDC-UHFFFAOYSA-N 497.662 0.692 30 20 JCED Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838115566 BIWPPAWXSYXJKD-HSZRJFAPSA-N 486.912 0.899 30 20 JCED CN1CCN(CC(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)CC1 1838285210 FMWAPJFPGOHSRZ-HWEDYNCSSA-N 479.622 0.761 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1838331231 ZSNSFXUSENKBPJ-HSZRJFAPSA-N 464.482 0.139 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4ccnn4)C3)C2)c1 1838584877 LROITSIVPAPACR-KSFYIVLOSA-N 454.487 0.490 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(n4)OCCO5)C3)C2)c1 1838736056 HJFLAZTZOQYBIQ-JOCHJYFZSA-N 453.455 0.436 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838763899 WHMRXRTVTRGJOZ-SFHVURJKSA-N 473.456 0.175 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CC[C@@H]4CCC(=O)N4C2)CCO3)c1 1839083544 BDIAVLYUWILSIO-PMAPCBKXSA-N 455.515 0.357 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1839130898 ZOIJESSWUGBIMN-YDIMBITNSA-N 494.589 0.274 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4csc(N)n4)C3)C2)c(C#N)c1 1839131861 CYBKUARSXMJHSW-JOCHJYFZSA-N 471.539 0.918 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1839223580 ABSDJXXOXPTPHC-MBSDFSHPSA-N 495.598 0.890 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1839227835 LDIDCHVVLACTHB-YCRPNKLZSA-N 462.482 0.739 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)c1)CCO2 1839343639 OQVSHUSUEHFZHI-PXVHBKPVSA-N 498.580 0.452 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c(O)cc(O)cc2O)CCO3)c(C#N)c1 1839373175 WDAXVWVUPZBYIA-VWLOTQADSA-N 497.504 0.996 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CSC(=N)N)C4)C3)c2c1 1839487856 IYMPUDKLZAGLJS-FQEVSTJZSA-N 457.516 0.131 30 20 JCED O=C1CSc2ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)cc2N1 1839578071 OGESIMIFKQRFJU-BKINLPNISA-N 499.549 0.908 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C(\C)NC(C)=O)CCO3)C2)c1 1839647396 BNQYTBAZQRJXAW-SICWBLJQSA-N 456.499 0.677 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2)c1ccc(O)cc1 1839881291 RXIVLNPSHNRTIT-IOZGHAEBSA-N 471.554 0.870 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1839887397 ASDDHUSLGWRIMJ-MGPUTAFESA-N 477.505 0.540 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]3OCC[C@@H]3N(C(=O)OC(C)(C)C)C1)CCO2 1840036230 OUYVCEAXKZBHMA-RAZUEPIFSA-N 477.558 0.491 30 20 JCED Cc1cc(O)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1Br 1840043832 WPZPPFIWFVFKMT-FQEVSTJZSA-N 481.299 0.621 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1840162375 VYDFOIBPIANZHJ-RCDICMHDSA-N 457.556 0.959 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cnc(C)s1)CCO2 1840517190 DBLFFSQUKYWPTI-NUTBXXOCSA-N 460.556 0.780 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c(O)n1 1840606851 KNPHSOGXJWJDGO-KCOOYEKVSA-N 457.527 0.868 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)COc2ccccc2C#N)CCO3)CC1 1840819103 OUIAKKIPPQVRSA-RUZDIDTESA-N 485.585 0.031 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1840819516 OGYTWGVTEVHGAT-XMMPIXPASA-N 476.493 0.750 30 20 JCED CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 28731851 APZSTQVLBUJZSQ-UHFFFAOYSA-N 450.542 0.858 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C[C@@H](C)O1 514336346 YZDVJACHKZHOJP-ZIAGYGMSSA-N 469.951 0.648 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 522538662 PKPPOGWSGRUXQT-UHFFFAOYSA-N 476.558 0.962 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)ccc1OC(F)F 524281895 FSKIZRMHMBSDGT-UHFFFAOYSA-N 478.477 0.131 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCNS(C)(=O)=O 524282210 WFOIADNFGMMJRA-ZDUSSCGKSA-N 451.545 0.716 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)c1 589156969 GCUMBLYGAIUULG-UHFFFAOYSA-N 481.505 0.945 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 603448785 TZDKFHJYKMHGTN-UHFFFAOYSA-N 462.553 0.511 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)cc2OC)c1=O 603795954 XHQFFGKAKVLTDI-UHFFFAOYSA-N 487.578 0.715 30 20 JCED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 604208105 WHAVAYBYRFAELA-UHFFFAOYSA-N 458.500 0.635 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)n(CC)c2C)c1=O 728558294 JQROPVIXXJMSIF-UHFFFAOYSA-N 469.611 0.486 30 20 JCED CC(=NNC(=S)NCCCN1CCOCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816537 JXQOQNZKDBFDCY-UHFFFAOYSA-N 491.661 0.323 30 20 JCED COc1cccc(C(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1OC 746784132 DFFJFRNKZPVGRU-UHFFFAOYSA-N 472.523 0.727 30 20 JCED NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 916826996 SJNSDJFOMXUYNY-NRFANRHFSA-N 469.567 0.876 30 20 JCED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 916893478 CMWWJMKKTPYKBQ-SFHVURJKSA-N 456.480 0.777 30 20 JCED COc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(C(=O)O)c1OC 917862581 HOAQJUKZKYCYGA-UHFFFAOYSA-N 495.535 0.969 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 918263732 IFLQDNHIUZYGJZ-ZXVVBBHZSA-N 469.527 0.933 30 20 JCED C#Cc1cccc(NC(=O)CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 918342405 JBTAYFXXTRYNEZ-LJQANCHMSA-N 477.564 0.504 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cc3c(c(C#N)c2=O)CCC3)CC1 1166095434 TVRWZVTWXKNLRL-UHFFFAOYSA-N 451.508 0.613 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1297778216 IMJUPDKCBLRJEO-INIZCTEOSA-N 452.562 0.379 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCS1(=O)=O 1300659245 UGORJJMCMINBHV-MRXNPFEDSA-N 462.532 0.630 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313972208 YXCIYZPSOBMQGO-QGZVFWFLSA-N 465.562 0.985 30 20 JCED CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1316356465 NNBCSDRFGMOEJU-MJGOQNOKSA-N 460.560 0.998 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 1507785346 NNJKOOJXHMJCAT-OLZOCXBDSA-N 477.385 0.187 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 1557880419 AJLOCVLWKRSJMO-ZBFHGGJFSA-N 452.533 0.977 30 20 JCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1589394673 MJDXQSQRAIVKAZ-CYBMUJFWSA-N 461.386 0.903 30 20 JCED C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O)S(C)(=O)=O 1596871404 YXYVHXDCUMSCEG-KGLIPLIRSA-N 454.578 0.624 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1612978789 ZAOVVMBQZMSTQG-VWKPWSFCSA-N 461.544 0.892 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)CC2=O)cc1Cl 1629191016 PVQVQTJTUWBABN-QGZVFWFLSA-N 459.934 0.568 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(N(C)C)CCSC1 1723951517 AJSUCWVRBJDDSV-RIFZZMRRSA-N 482.680 0.502 30 20 JCED CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1=O 1746426725 IECAUENKRWMBIV-OAQYLSRUSA-N 458.544 0.425 30 20 JCED CNS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1748297599 RJTIOAUUYCLZMB-SFHVURJKSA-N 495.613 0.989 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778116832 HOQJYXPEGVDSOM-LAUBAEHRSA-N 457.593 0.061 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778899306 MNWGKISJWIPPQT-XOBRGWDASA-N 491.463 0.838 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1)c1ccccc1 1779091809 FNDCEWFLENJLDS-RSEQLOHWSA-N 455.555 0.664 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781421770 UAKAIAXIHLXRHE-MBSDFSHPSA-N 474.562 0.805 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)cc2NC1=O 1782013350 HCBBHEQOVLBSDI-CGROQTEOSA-N 455.467 0.622 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1782667734 DMOSKNYZXCTPRV-UQBPGWFLSA-N 468.554 0.728 30 20 JCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#Cc2ccccc2)C3)c(=O)nc1O 1783116016 CVNOJWJGCDNXNZ-CJFMBICVSA-N 464.522 0.823 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C1 1783278272 YILIKOMFRSIQSN-YGKZAACZSA-N 479.578 0.475 30 20 JCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CSCN4C(=O)[C@@H]4CCC(=O)N4)C[C@@H]32)C1 1783466467 TUHSYOZEHREAHA-HZZCBIDNSA-N 476.599 0.112 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(C#N)cc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c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 1785015053 XFEBIGVNIGLZOJ-ZVZYQTTQSA-N 453.586 0.998 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2)NC(=O)OC(C)(C)C 1785305290 YOBSWHNGIROBMF-VAXXYWNWSA-N 496.605 0.326 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2)NC(=O)OC(C)(C)C 1785305701 ZVPAIWHXIXMJJS-JLHGSKIFSA-N 477.566 0.924 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C1)C2 1786698095 ORZTWUPLQCJXDU-DFEOGRTESA-N 469.542 0.906 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)n3nc(C)ccc3=O)[C@H]2C1 1788731792 XWCLPHRLKATLDU-FHWLQOOXSA-N 474.558 0.776 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1 1789258340 FQBNHQVTXQPTAU-DVWBAYGPSA-N 458.515 0.311 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789573523 TZLFGUNVULHZBN-JPLJXNOCSA-N 458.515 0.995 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1)N1CCN(C)CC1 1790227538 FYHFCGKHHYCNOH-NTPMHYTDSA-N 457.550 0.927 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1791260774 STRBDGYOYLHDJY-ZAZJUGBXSA-N 455.577 0.863 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1792488729 OXYXWYKBLHRKOQ-QVRRELRWSA-N 465.510 0.227 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 1792564604 SWBWQJKGSCQKLA-BZYLRBNYSA-N 451.527 0.987 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1793360941 ASXWESNPFIEPKM-UGNRZPKXSA-N 494.589 0.246 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Cn1cncn1)C2 1793597522 NFHOJAOKQVRZRA-OYSTVDSJSA-N 476.578 0.973 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N 1795506622 UNDOYZUDCLKNKG-KYHPRHEASA-N 481.619 0.899 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cccn2c(O)nnc12 1796287866 CXMIVIPOHCUAEM-HGKCTWBKSA-N 453.499 0.337 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1796394420 QALYRENBBDYISN-MHORFTMASA-N 481.594 0.398 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)c2C1 1797315630 MKDQHZYFQZMLIQ-JLVBRIDZSA-N 473.534 0.536 30 20 JCED O=C1Nc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)cccc2C1=O 1797541386 RCCYSIQNOIPLEM-GISGIKCKSA-N 453.499 0.496 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2 1797811742 USPJSPMUMYNJFB-HWYGTKBXSA-N 456.543 0.820 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1799302901 SJVOQODVBNBSPR-OPMZPASUSA-N 472.542 0.631 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1799363489 DWKFOXZUKVKBIZ-HNWDZMGDSA-N 478.546 0.564 30 20 JCED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)c(C#N)c1 1800031650 BCCFFVMVHBNFMA-ACDBMABISA-N 474.583 0.478 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1800204163 USPJRQOBOCGCOP-CVFMPKEZSA-N 477.521 0.740 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1800805907 AMLDYKRHVXYBSJ-HVJVJISESA-N 483.565 0.998 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1800955708 QJCOYPYWCAXZKZ-AMGHZEHPSA-N 463.531 0.860 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C)C2 1800980448 JWBUFVPMCXRMLX-JQVOGXOBSA-N 457.593 0.919 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1 1801343823 JZLBZTKYGCOHPD-AXVVYFOYSA-N 475.546 0.914 30 20 JCED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1801849104 MTJKAHIUWGBDTA-BRTYFSMRSA-N 497.596 0.713 30 20 JCED COCCOCCOCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1802103049 UFYQMXPEGLSEKA-VHUYYZNQSA-N 485.578 0.850 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cccc(=O)n2O)[C@@H]1c1cccnc1 1802476330 HOFBXBZISMQPTR-XCWBYQPUSA-N 451.483 0.659 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccnc1 1802480088 AGFGCAYNAWKLPL-VUTNTTQYSA-N 453.459 0.891 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1808439764 CJHRDBSPHFBJKL-DYESRHJHSA-N 480.525 0.851 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C(=O)Nc2cccnc2)[C@@H]1c1cccnc1 1810455713 LFMKFCQQYDCNGT-PLVIEQCCSA-N 462.510 0.980 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@H]2c2cccnc2)c1 1811532566 IBXZZWAZZKKIJG-NQIIRXRSSA-N 470.555 0.331 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815851631 ZYACAYDSFFNNCL-ISALQUGTSA-N 490.567 0.379 30 20 JCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(N4CCOCC4)n3)sc2C1 1817662953 YZBLBQUTCFSTLH-ZDUSSCGKSA-N 455.496 0.689 30 20 JCED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)CC2 1825030150 WAIDDMMXBDUTGG-CYBMUJFWSA-N 461.544 0.768 30 20 JCED C=CCSCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828629315 VSYLFPXHFYZVCH-WMZHIEFXSA-N 475.615 0.644 30 20 JCED CC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828927558 VJEBZGCBTXLKRG-QHCPKHFHSA-N 455.515 0.878 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828972137 IQZUWQTYCQTEHS-ZYHUGZTASA-N 451.568 0.728 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3CCOCC3)C2)C1 1829262337 MKNOADKNNKYYKO-XMMPIXPASA-N 454.527 0.404 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1829267438 PKFHKCREPOVDDG-FDDCHVKYSA-N 450.499 0.924 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CC1(O)CCC1)CCN2C(=O)OCc1ccccc1 1829423159 VVGMEGQOOAFYDO-DEOSSOPVSA-N 483.521 0.832 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C3)C2)C1 1829669636 ASCJCOAIVULFLA-QHCPKHFHSA-N 469.498 0.715 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c([N+](=O)[O-])cc1O 1830060631 XSCGLVQGVDRGSY-OAQYLSRUSA-N 462.459 0.929 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OCC)cc3)C2)C1 1831398472 COXKOMFTWHACFM-HOYKHHGWSA-N 458.511 0.972 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])c(O)cc3C)C2)C1 1831398766 KISBPWSPPRGGNY-OPAMFIHVSA-N 461.471 0.717 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1831398890 MRHSCJGXNPVCFY-MWTRTKDXSA-N 489.481 0.490 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(=O)OC)c3)C2)C1 1831399209 RMRCTGOCAJJEOP-HXOBKFHXSA-N 459.499 0.973 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1831402765 QXLNNMRZOXVZKZ-VGSWGCGISA-N 453.536 0.396 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1831488331 WORMYHSDLZHOKE-AVRDEDQJSA-N 462.572 0.991 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1831997803 GMESORUWMZQHIP-CYFREDJKSA-N 496.605 0.244 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC)C2)C1 1831998655 PSPAMLDLZMHEQS-STSQHVNTSA-N 468.595 0.910 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1832457166 LTHQESYQVZSKTI-FQEVSTJZSA-N 464.569 0.745 30 20 JCED COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1832764360 MVPXRVPXKKWFGF-HSZRJFAPSA-N 459.547 0.371 30 20 JCED Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)s1 1833021567 SEBJHZYQKZEAIH-YHAFYQSGSA-N 481.575 0.765 30 20 JCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833273080 LZUNAYWLUQXKCD-PBHICJAKSA-N 458.625 0.762 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)c(=O)[nH]c1C 1833389624 OFDPVFYVJGLNGR-QHCPKHFHSA-N 451.483 0.642 30 20 JCED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)CN4CCNC4=N)CC3)CC2)ccc1F 1834706351 WVHVYQYNOSJVET-UHFFFAOYSA-N 469.565 0.651 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)n5[nH]nnc5n4)CC3)CC2)cc1 1834971959 CZWAMXZOOCTGGP-UHFFFAOYSA-N 489.540 0.112 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCN(C)C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1835390907 LRPLSQNMWWWMIJ-CYFREDJKSA-N 480.606 0.960 30 20 JCED CN1CCN(CC(=O)N2CCC(N3CCC(NC(=O)c4cccc(C#N)c4)CC3)CC2)CC1 1836259286 OIQHYEAQGFCASZ-UHFFFAOYSA-N 452.603 0.991 30 20 JCED O=C1COc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)cc2N1 1836992732 OBOBCHIPZJKNGI-PLPMJULLSA-N 482.493 0.800 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525048 RVRUBGVNLXACJF-NHABPYLBSA-N 463.535 0.505 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1837528203 AXUQISQAMFLIOY-XTXAWSSWSA-N 490.513 0.452 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1837531507 ONTYGHWFXMKYSR-BEQIRNJDSA-N 498.540 0.866 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1837560048 NNGJGPPFDYYLIJ-XXTAFAAKSA-N 461.515 0.744 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)NCc1ccco1 1837635840 HETJIGTWWBPHHN-FCGKSDEFSA-N 484.509 0.621 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838386260 IWJCGZAQHLLKDZ-FPOVZHCZSA-N 453.580 0.209 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838478080 ZTTXREZCMSREEZ-NWBNNPRYSA-N 459.503 0.352 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838605151 QWPADNNXPIVSTC-HJPURHCSSA-N 471.514 0.961 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc(C)c(C)[nH]c4=O)C3)C2)c(C#N)c1 1839131335 BLTOATBGICDHKA-VWLOTQADSA-N 495.536 0.580 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)NC(C)=O)C3)C2)c(C#N)c1 1839132932 WEZSOIMLIAULKK-QMHKHESXSA-N 458.515 0.090 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)ccc1F 1839185933 RTWVCCGKWVCXDB-JOCHJYFZSA-N 460.462 0.148 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COCCO)CCO3)C2)cc1C#N 1839195894 OHWMVIOHJOHHES-HSZRJFAPSA-N 461.515 0.424 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1839225556 MWCYSHKPSOXOLK-HOYKHHGWSA-N 485.541 0.874 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488678 DVIOSLPHSRYBGT-DDCFWYMVSA-N 466.498 0.544 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3c(Br)cc(F)cn3n1)CCO2 1839621012 XLTSDAUZPNFQEF-SFHVURJKSA-N 481.282 0.615 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)cc1 1839649550 XIQJMRGORZBYBA-DEOSSOPVSA-N 465.510 0.686 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1839839054 VRZCTELOGQBPQX-KNPBPUNLSA-N 473.570 0.834 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CCO2)C1 1840010208 QNRJTGWKTHDOLY-XBJPRQPRSA-N 469.604 0.874 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccc(Br)c4n3)C2)C1 1840044684 ROYYRGNRJNNHOD-FQEVSTJZSA-N 491.298 0.255 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1)c1ccc(O)cc1 1840221204 DIBOZDSOPQSAFR-FZOAFFARSA-N 469.538 0.624 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c(O)n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n3ccnn3)C2)C1 1840912436 ICPFKTPMTRHTTF-MQNAVGNWSA-N 490.561 0.204 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843154043 CUTQNGNAWGRMKJ-ODDBZWQPSA-N 497.556 0.912 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCN1C(=O)C=CC1=O)C2 1847070906 YWBWKFZYADSJNU-MRXNPFEDSA-N 458.515 0.422 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)c(OCC(=O)OC)c(C)c3)c(=O)n2C)CC1 409949915 FSYBBMDVVWDXKZ-UHFFFAOYSA-N 498.605 0.283 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)s1 520897222 SOTMCANJBDPETL-UHFFFAOYSA-N 453.611 0.811 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(F)cc3C)c2=O)cn1 523864829 FDVOTLSYDXEUGA-UHFFFAOYSA-N 455.515 0.829 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(NC(C)=O)c1 604120662 XUMGRFQTDKKLSY-UHFFFAOYSA-N 496.570 0.510 30 20 JCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 604167532 GIIDPASBNAODCZ-UHFFFAOYSA-N 484.538 0.261 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(=O)N(C)C 604269894 HSMDPJPAKINLIU-UHFFFAOYSA-N 477.546 0.933 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(=O)N(C)C 604270005 MKSNPWRXOJHJAP-UHFFFAOYSA-N 479.562 0.202 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(=O)N(C)C 604270187 SAVUJZJXZUZASC-UHFFFAOYSA-N 493.383 0.026 30 20 JCED COc1cc(OC)c(N)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 726206323 LZWSHMUXJNTUBA-UHFFFAOYSA-N 488.522 0.848 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CCN3CCC[C@H]3C2)C1=O 726404311 VVLBOBYFIPVFKK-LONUZDIASA-N 479.628 0.897 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)nc1 727163103 LDCZDDLYPULOGV-UHFFFAOYSA-N 458.931 0.337 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cccc(OC3CCCC3)c2)c1=O 727165302 YHCYSKWMOVHZPG-UHFFFAOYSA-N 458.565 0.807 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 769215984 DGLOZSVVBQXMOQ-LLVKDONJSA-N 498.439 0.940 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)cc1 878407599 WLVFPKNMGKDKTQ-FXAWDEMLSA-N 470.569 0.473 30 20 JCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914652752 GZLKZZUDHWDHBR-DLBZAZTESA-N 494.570 0.530 30 20 JCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 914994955 AANXCJLYCGZXSM-UHFFFAOYSA-N 450.459 0.141 30 20 JCED CC(=O)N1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)CC1 1286890859 SYBNYXZQXBVTAI-KRWDZBQOSA-N 488.618 0.560 30 20 JCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1290865134 LRLUAFIWFVFCAE-PXNSSMCTSA-N 466.594 0.906 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1297778550 XVOWIUAMSZBTHN-LJQANCHMSA-N 473.603 0.915 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1 1515490880 UUZVLVZUTXXLNG-UHFFFAOYSA-N 488.618 0.356 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 1638203032 ITBPOZRAIOJNEJ-ZWKOTPCHSA-N 453.499 0.934 30 20 JCED C[C@H](CC(=O)N(CCO)CCNC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1654473599 JLIXGFSGOIFCTH-CQSZACIVSA-N 454.549 0.849 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCOC1 1706883720 PGJSKVCVZZIGTA-VGOFRKELSA-N 489.602 0.628 30 20 JCED C[C@@H]1OCC[C@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCNS(C)(=O)=O)CCO2 1708280778 XNZBZMSGJQXEGR-KKSFZXQISA-N 476.559 0.662 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCCN2CCOCC2)C1 1731013176 XUKPNXTXMDNMJN-SFHVURJKSA-N 467.596 0.073 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1747603874 WGALUHHBWDZJEA-UHFFFAOYSA-N 469.575 0.768 30 20 JCED COc1ccc(F)cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1748844982 DKPALISRPAQYLE-AEFFLSMTSA-N 480.522 0.536 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1761271404 PLVFOALQWWZFFO-UHFFFAOYSA-N 482.570 0.801 30 20 JCED COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1771116044 PKRYPFZXRRFQOV-AWEZNQCLSA-N 451.528 0.872 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778273030 JHZYMAMIELIKLH-XIUULHIQSA-N 482.581 0.576 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1778970119 FOTITQSEHBWEDM-UQBPGWFLSA-N 498.584 0.583 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)[C@H]1SC(=N)NC1=O 1779017275 JEPNMCSRADFPCE-RFNMRFSJSA-N 450.565 0.090 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779018944 LKDWCMJHKOEDFV-BLJGPLFWSA-N 498.621 0.374 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1779588248 GBIPGXDXRMDBKC-XXGSHBOYSA-N 450.499 0.774 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1780738170 ZVZOLYCABULRAE-AUSIDOKSSA-N 499.630 0.681 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)NC(=O)OC(C)(C)C 1781051769 SHZANBIMXMXARF-YDSTWLSQSA-N 466.579 0.399 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)CC1 1781170059 MTSRTFHTCKNZAZ-HSZRJFAPSA-N 488.545 0.233 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781349586 PMITZKGCISNITH-DRSNIGMVSA-N 453.536 0.130 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1781380623 PRDOYJHBKCCORV-AREMUKBSSA-N 488.581 0.954 30 20 JCED C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781983262 TVFGBKWCQNFFGI-ROMRWMGNSA-N 471.510 0.903 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C)cc(C#N)c4)C3)C2)CC1 1782056509 BKTAAJFFTATNSY-DEOSSOPVSA-N 453.543 0.474 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5n[nH]cc5[N+](=O)[O-])CCO4)C3)c2c1 1782196707 DKZKBKXGDQZORQ-FQEVSTJZSA-N 450.415 0.823 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)c2n1 1782884779 AXRZJWZIUBFZIX-XMMPIXPASA-N 495.540 0.370 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)C2)C1 1783020684 XZQHNSNRJJBPKS-FDDCHVKYSA-N 462.568 0.891 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CC)NC(N)=O)C2 1783268407 JLGCJMHXOWFAMF-UTBIRPSLSA-N 493.605 0.864 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13CCN(C(=O)OCc1ccccc1)C3)CCO2 1783567007 CMRYIHHRBIWGIZ-VANUSSGQSA-N 495.532 0.953 30 20 JCED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783778018 MUHMJXLMQSHKOE-VTJXTGGHSA-N 472.608 0.553 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)OC)C2)C1 1783995786 AHVSHMCAIWSMRD-QQMNAOGKSA-N 498.577 0.657 30 20 JCED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)CCO2 1784200260 OYVQJWHWJNBOOO-XMMPIXPASA-N 486.594 0.865 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784343966 VKQGKWRGSAVILV-HTAPYJJXSA-N 460.535 0.415 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2)NC(=O)OC(C)(C)C 1785308698 NJPPDSRZRXNEAJ-MZNJEOGPSA-N 490.557 0.601 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1785554159 CUFZFAOYMCMQPS-HOYKHHGWSA-N 455.559 0.917 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1)NC(=O)OC(C)(C)C 1786844758 QXXXMYYJHSZQTC-RDGPPVDQSA-N 492.621 0.666 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1)NC(=O)OC(C)(C)C 1786894661 WPPFXCYRLICBRA-APAFKAMOSA-N 495.621 0.418 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)n4cnnn4)C[C@@H]32)c(C#N)c1 1789842570 CYNQWDPTRQMQRU-VTCANLHHSA-N 453.503 0.337 30 20 JCED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(=O)(=O)N4CCCC4)C[C@@H]32)cc1 1790142350 MMCFNPWLCZOJAP-ACRUOGEOSA-N 474.583 0.772 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=N)N)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791379910 DRMPZSOKEUDJFK-QAETUUGQSA-N 464.567 0.015 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]32)cc1C#N 1792058423 NPTQLFCXFISDML-QRFRQXIXSA-N 486.525 0.482 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n[nH]3)C[C@@H]21 1792258095 RUFSKZNPHJHVIL-JKQORVJESA-N 461.519 0.625 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(S(=O)(=O)CC)cc1)C2 1792490027 FOCXWYVEBSBJQX-NFRAVTBUSA-N 489.594 0.471 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792835399 RZXFBZFSSXZPJY-DFYYWFRZSA-N 452.960 0.962 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N(C)C(C)=O)C2 1793597734 VHWMDAWIESEULG-UJCHZGTJSA-N 466.579 0.912 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(-c2ccc(F)cc2)no1 1794047141 OBOYYAFHHYDHLP-USGNIVHTSA-N 456.430 0.486 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1794404824 DCVMNJZUOJIUJR-OPMZPASUSA-N 489.594 0.528 30 20 JCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)n(-c2cccc(=O)n2C)n1 1795935307 OPKLGDHTWJKTFZ-UPHUGPLXSA-N 464.526 0.777 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2 1797784293 SMPLGSCYCPKGFW-HGKCTWBKSA-N 455.540 0.988 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011960 CXXKHNGBHBVQQN-HLPPOEQASA-N 476.490 0.438 30 20 JCED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3c(O)nnc3O)cc2)cc1 1798594604 GSLDHTSIWYTZTN-HATOLVCRSA-N 488.504 0.996 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(C#N)c2)c1 1798858578 ATEQOIGEOVBLBV-OPVJXMOQSA-N 454.508 0.874 30 20 JCED CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)c1ccc(F)cc1 1799057856 XCRFRXPIEZQAAF-KOUHRCEDSA-N 473.549 0.874 30 20 JCED Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)no1 1799882325 GXVDBDISDPHBTB-USGNIVHTSA-N 477.481 0.963 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2)NC(=O)OC(C)(C)C 1801928001 DRVOUPLFWWGFTK-PHSQPZKOSA-N 482.578 0.498 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1802139815 RUHPSCZURDZEDI-BWBOWEQJSA-N 496.561 0.110 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1804417007 XHGHXFRPANPDEQ-CWZDDEHYSA-N 467.486 0.751 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1814063705 MUDDELGSQFFXCF-JTSKRJEESA-N 499.491 0.478 30 20 JCED NC(=O)c1nccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819904856 LFWMQNVZFFAFFG-QNYVVPKKSA-N 473.515 0.787 30 20 JCED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN(CCO)CCO)CC3)cc1 1823496620 BDESTPYXIPSNPM-QGZVFWFLSA-N 457.556 0.722 30 20 JCED C[C@@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CC2 1826028440 XTWTYWVRMBLDCD-RSLMWUCJSA-N 483.641 0.554 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncc[nH]1)CCN2C(=O)OCc1ccccc1 1828656032 JGFCINHHGKCKAO-HSZRJFAPSA-N 465.466 0.563 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1828808481 UNXGIPCVEZLQAZ-AUSIDOKSSA-N 488.566 0.929 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829899034 QZPZTFGDAOLCMX-DEOSSOPVSA-N 456.543 0.864 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)n1ccccc1=O 1829903800 DDIDJCPDPUNSSA-KBMIEXCESA-N 464.522 0.980 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456567 MNBDGZQLIGMAMT-XMMPIXPASA-N 456.543 0.862 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 1831401552 CIYFHPQWNQVCSL-KSFYIVLOSA-N 463.462 0.771 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2)C1 1831419579 NNWRUGGJUGYSRW-FVJVTNMWSA-N 499.605 0.962 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1831438614 UKTRIBFOEPOQAD-NTKDMRAZSA-N 459.543 0.854 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1832452960 MCXMXPMNUJULDS-FRIZHTMISA-N 456.590 0.164 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccnc3OC)CCO2)C1 1833003759 SLXNUNYBPXUMFH-DEOSSOPVSA-N 475.542 0.989 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)CCO3)c1 1833028462 PIJIMDAHLYVRSX-CJAUYULYSA-N 493.520 0.635 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1833074823 FCLSECCXPPHFFT-PLNGDYQASA-N 497.600 0.060 30 20 JCED CN1CCN(CC(=O)N2CCC(N3CCC(NC(=O)Cc4ccc(C#N)cc4)CC3)CC2)CC1 1833107169 IIXUIUVUGFRGBD-UHFFFAOYSA-N 466.630 0.920 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CC2)CC1 1833219317 WKQOCKKTZXBTCS-AONNBLCTSA-N 482.647 0.853 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3OCC3CC3)CCO2)C1 1833623987 FUZFOCGAGPDUHW-KOSHJBKYSA-N 457.527 0.979 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1833864602 JTPRPDDFCPDXBX-UWDDZFTESA-N 465.507 0.028 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834299675 KXKMZEBBEQSDPM-UZUQRXQVSA-N 473.530 0.463 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CCSC(=N)N)CC2)CC1 1834715372 ZKBKIGDOOTUOAA-UHFFFAOYSA-N 451.641 0.857 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOc1ccccc1)CCO2 1834827015 CBASODBUXWBLNT-HMLKYZKVSA-N 457.527 0.770 30 20 JCED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834912509 NTDQSBNZZDYEQX-UHFFFAOYSA-N 481.644 0.943 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1834944688 LRBPQPFLTUGWPT-CYFREDJKSA-N 480.606 0.701 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835828770 JDANSDSCEMBTND-XXBNENTESA-N 458.563 0.210 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835849265 NZZAPIBMGYSWNU-OYHNWAKOSA-N 493.586 0.712 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)c1ccc(O)cc1 1836214262 MGBGIJULABUDBI-RDPSFJRHSA-N 467.526 0.637 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)cn1 1836380896 LODSDTUWDOVXHN-XMMPIXPASA-N 498.561 0.882 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1836473908 PCUWQWKIQKNVEK-HOIFWPIMSA-N 486.566 0.129 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1836484390 VBWQPWYLKZWIDN-UWJYYQICSA-N 463.922 0.729 30 20 JCED CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)CC1 1836666593 RYEDTXDHJOLJSA-VWLOTQADSA-N 469.586 0.195 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)N1C[C@@H]2C[C@H]2C1 1837279133 RFZMLVMBADZFRV-VUDCNRLCSA-N 452.555 0.897 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531079 BTTNXVXVCRWESN-KPSNGJBRSA-N 475.502 0.006 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1)c1ccccc1 1837614569 QPJUKIPEACSGFH-CYFREDJKSA-N 452.511 0.516 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1837665466 SALPUPLRQHLFJM-XMMPIXPASA-N 464.607 0.599 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835804 QKAGMHZPPPHANW-UHFFFAOYSA-N 475.479 0.219 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cnc[nH]4)C3)C2)c1 1838579305 IWLDHYCRZKQCTH-QHCPKHFHSA-N 453.499 0.993 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)cc2NC1=O 1838737946 HAVVZSVAMXDQNF-IZHWHUGBSA-N 479.493 0.990 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1839185753 JZHWUGWBBJUDQI-MBSDFSHPSA-N 485.578 0.311 30 20 JCED CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1839212321 XMTVTKFMUJGYIM-AOMKIAJQSA-N 467.519 0.224 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC(C)C)N1C(=O)c3ccccc3C1=O)CCO2 1839216844 QNIRIKAWHIEGNY-CJFMBICVSA-N 467.522 0.787 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1839225873 WYLVSFRNVHKQBL-WAIKUNEKSA-N 473.530 0.926 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)c(OC)c3O)CCO2)C1 1839375747 JAMZNWGGOJWRJT-WAIKUNEKSA-N 462.499 0.518 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421892 QXNJKTBKYJRNMW-WZONZLPQSA-N 492.504 0.610 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5n[nH]cc5[N+](=O)[O-])C4)C3)c2c1 1839488223 FEDGZPBQOOXSOE-OAQYLSRUSA-N 480.441 0.450 30 20 JCED COC(=O)c1ccc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)ccc2c1 1839613416 AQBHHFMZTYEPPM-RUZDIDTESA-N 480.473 0.784 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cc3cccnc3)NC(=O)OC(C)(C)C)C2)C1 1839806892 GHBDMHBKDXRBSJ-CYFREDJKSA-N 472.542 0.607 30 20 JCED CC[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840043748 RRAZJDUOXLRZKS-OPAMFIHVSA-N 467.519 0.224 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840071897 MOEOEIAAMQBUCN-OWAUWMPXSA-N 491.585 0.617 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1840088094 LLPRCTWGXIYZPP-OJSZTNNSSA-N 480.562 0.214 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nnc(Br)n4c3)C2)C1 1840159947 RTMBHGQNSMJSSQ-KZULUSFZSA-N 484.376 0.880 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1840170906 CBKJPGQPBCCFKT-NTKDMRAZSA-N 495.573 0.703 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840218806 QEGSEMMYXZHHCK-GOTSBHOMSA-N 499.630 0.734 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1840445441 VKRPWJPVTYADQG-IMWIBFENSA-N 489.573 0.817 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnn(C)c4)CCO3)C2)c(C#N)c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c1ccccc1 1847806460 YPWMEMFMMIADKM-AMGKQAFBSA-N 469.538 0.999 30 20 JCED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 24733112 COLKYSLTOGTAIO-HSZRJFAPSA-N 499.524 0.997 30 20 JCED COCCN(C(=O)CN1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@H]1CCS(=O)(=O)C1 501121735 NAFHNQNIVHDMLV-IBGZPJMESA-N 471.583 0.891 30 20 JCED Cn1c(=O)c2c(ncn2CCC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n(C)c1=O 501698011 MVEIMGUJNNQJJC-UHFFFAOYSA-N 463.498 0.573 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCOCC 522283406 GYIDILITICYFDL-UHFFFAOYSA-N 470.530 0.695 30 20 JCED N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 608911348 BONSMDUBTNTZKO-UHFFFAOYSA-N 468.516 0.370 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3cccnc23)c1=O 725763766 TYJVDVRECPOKKB-UHFFFAOYSA-N 464.547 0.856 30 20 JCED CC(C)Oc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 726582436 KKCOZJHOBDWVEZ-UHFFFAOYSA-N 479.562 0.782 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 729256915 MMPIWPXYWJOGDZ-GOSISDBHSA-N 464.563 0.510 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(OCC(F)(F)F)cc2)c1=O 729672788 IHRPSNBSRUCIMO-UHFFFAOYSA-N 457.455 0.922 30 20 JCED CC1(C)Cc2cc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(CCS(C)(=O)=O)c3=O)ccc2O1 729672876 MLJQSFRSTPPRLV-UHFFFAOYSA-N 487.603 0.450 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 894925961 ODAUNIHZEQIVEG-HNNXBMFYSA-N 453.517 0.584 30 20 JCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)C1CCN(S(N)(=O)=O)CC1)CCCC2 915388396 ZLSQTRUOEXGPLZ-MRXNPFEDSA-N 493.586 0.815 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 916710294 FQINQECLFCPJPF-LYBHJNIJSA-N 490.586 0.798 30 20 JCED COc1ccc(C(=O)[C@@H](C#N)C(=O)NCCCOC(C)C)cc1S(=O)(=O)N1CCOCC1 916872252 HFRZAVKAVXMBIL-QGZVFWFLSA-N 467.544 0.970 30 20 JCED COC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918456722 UIQKBOFMESHXJR-LTGZKZEYSA-N 451.505 0.349 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1295364420 ZAJNLSUXRKOWSW-NUJGCVRESA-N 452.629 0.795 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1298327095 KCUSUQWZDMWREY-GOSISDBHSA-N 478.600 0.724 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1305121821 LEMXTVYFVFKMKQ-CABCVRRESA-N 452.523 0.084 30 20 JCED CCN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1313586997 ZZJNUDYTAQLXOT-KRWDZBQOSA-N 466.589 0.722 30 20 JCED C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1512583153 QFILWRMOESLKHJ-NBCNXNJRSA-N 490.586 0.659 30 20 JCED CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1=O 1515879199 CMFUFTOEORUTJB-OAQYLSRUSA-N 458.544 0.425 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1555204596 JJNWACIBBOHORF-UHFFFAOYSA-N 488.570 0.601 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)c1 1654241310 NFLWEDQQPYBKOH-UHFFFAOYSA-N 452.496 0.697 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 1723615998 DBHCEWOIPRSSQX-KRWDZBQOSA-N 488.593 0.887 30 20 JCED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1 1748049417 MMCNRVDCHNZICW-HSZRJFAPSA-N 469.546 0.090 30 20 JCED Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)NCC(F)(F)F)cn1 1767460820 LPVVQQXOZQYQQF-UHFFFAOYSA-N 474.451 0.950 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1779069699 FWCSHPSDEHVXKL-JNQOSRSFSA-N 478.523 0.812 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1779106869 WTUZWYVABUIINJ-PIVQEWKSSA-N 470.486 0.062 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnc3c2OCO3)C1 1780021924 PJHUTWOWWMUDTM-VCWLXYSBSA-N 456.499 0.796 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C3)ccc1F 1780756820 WQUQGTYAHHVRHA-WIYYLYMNSA-N 482.449 0.479 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1781294291 JJCFFHPUKDBJPV-VGOFRKELSA-N 462.551 0.968 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CC1 1781300293 LSAGDQHNJYUMEO-DEOSSOPVSA-N 471.533 0.234 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1781310083 ATOULWIMQBSGCH-DRMXPCRNSA-N 497.556 0.935 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1781689297 XGANYSNAMKWBPW-MNWRTRISSA-N 469.604 0.795 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782665756 BWBUDSJWTHQLOP-GAZXMLTASA-N 487.557 0.543 30 20 JCED C[C@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782873839 AYJYMBRISVEBAX-IZZNHLLZSA-N 492.532 0.318 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1783150736 LWXIIPHZOFXLEP-VGSWGCGISA-N 452.552 0.812 30 20 JCED CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4ccc(C#N)cc4)[C@H]3C2)CC1 1783443589 WGVAXNKKQFGBTM-VABKMULXSA-N 453.587 0.718 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1783769447 TYCHWLANBKDRMU-DRSNIGMVSA-N 485.603 0.863 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1783772076 ZDKAYLCJQKJHJE-MRUHUIDDSA-N 463.539 0.533 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)CCO2 1783919092 UXIPSGXIGLUJGJ-QFIPXVFZSA-N 471.539 0.684 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784478949 PZEKHFXOWUBLIP-JBFGMIDGSA-N 458.515 0.011 30 20 JCED CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)c1 1785587267 KATFKHZHMWRDOB-JROFHVBBSA-N 474.539 0.791 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1786857838 GHZKVMBKHNOVLX-YXMSTPNBSA-N 464.592 0.050 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1786859088 JKQAEJJAWYTMLM-ZOBUZTSGSA-N 472.571 0.631 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(=O)(=O)N4CCCC4)[C@H]3C2)c1 1787505811 NJIPZCLTUAOZIQ-QRFRQXIXSA-N 478.546 0.716 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C[C@@H]21 1791073909 BEBSKLUTODZDCP-WDSOQIARSA-N 482.468 0.112 30 20 JCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791333374 QCWXKZLMVOVZFN-UITRFSOLSA-N 457.593 0.656 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1792145690 HAGKAOPHAVCFQV-ONTIZHBOSA-N 456.543 0.639 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2 1793340388 VCDCQSYQVHYLTF-WERVVEIQSA-N 497.589 0.172 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1793819911 FRTSQOKDMDGHIT-HGKCTWBKSA-N 453.586 0.749 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797816621 PAEPDQVEXUEOMO-RIROHPGSSA-N 473.530 0.319 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1797968486 SHXDSEHHRLPOLG-UKBAYJJMSA-N 493.358 0.675 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798487146 NIJLKXLHLNYWEX-XCRACJGTSA-N 492.617 0.972 30 20 JCED CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1799099047 JYEZGSCZMIWLAJ-DPIQGUFMSA-N 467.931 0.588 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1799260436 NDHVFRLAQSRCLT-OPVJXMOQSA-N 494.589 0.828 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1799321938 SIIXIZYRXGJPJS-KMOPNRPKSA-N 481.594 0.028 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1799322826 PNLPWUHNSPSGMO-SFNKJDCFSA-N 455.552 0.444 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799354166 UUEVJKRVCGFGHO-CWQOZTLDSA-N 469.579 0.425 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C#CC(=O)O)C2 1800778942 WYBKVBZSFQEPCD-NELCAIQGSA-N 461.515 0.452 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800982743 KFVTXTWJBYOVRW-DFGXFYAUSA-N 479.534 0.295 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2)NC(=O)OC(C)(C)C 1801930398 CWYHAMDRVIYWOL-RCJHGTSTSA-N 468.551 0.792 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)[C@@H]1c1cccnc1 1802475354 FNXGWNJPPNHYKM-WHDGCPEMSA-N 462.572 0.627 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C2 1804370087 JVSGYLMWZGOYCT-SFFUCWETSA-N 484.619 0.869 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C1 1806023257 HETALILAIYIEBV-KRWDZBQOSA-N 486.573 0.256 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1807145807 PEPAFXKSISTXIW-RDJZCZTQSA-N 453.503 0.884 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1810248952 RFFWPWCHJSBHEW-HFTRVMKXSA-N 466.502 0.100 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)C(=O)C(=O)O 1810330803 GHPYAJROCZGZBC-GHTZIAJQSA-N 470.526 0.329 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)[C@H]1SC(=N)NC1=O 1829631862 MHZXYHCKAIXQBD-LZBHBKQYSA-N 499.593 0.750 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1830059688 IYKCKSGJGOOBGU-QHCPKHFHSA-N 459.499 0.455 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831464859 UCSFJMMDULTSRW-VGOFRKELSA-N 463.556 0.503 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1831999039 XHLVVHYUJLICRG-UUOWRZLLSA-N 496.605 0.827 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832131468 LTFIZCACONBXPZ-VLMPBXDWSA-N 453.511 0.717 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(Cl)c1 1832539189 MRKJWUHEGPUXED-NRFANRHFSA-N 450.875 0.436 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833028869 WMEDZSPZFZDHDF-LHSJRXKWSA-N 482.484 0.661 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3nc4ccc(F)cn4n3)CC2)CC1 1833076643 FXCXMYGZJRBYOZ-WAYWQWQTSA-N 483.548 0.912 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833614900 JCWBPVLUNOCCLE-NZQKXSOJSA-N 478.615 0.943 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CS(C)(=O)=O)C3)C2)c(O)n1 1833699345 ZHJWRNCUKOCDRG-OAQYLSRUSA-N 467.544 0.020 30 20 JCED Cc1c(Br)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)nn1C 1835345632 RNAJCFZXIVZACR-LJQANCHMSA-N 466.336 0.865 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)CCO2 1835351648 YZWIPGHDSVMPHY-QHCPKHFHSA-N 462.568 0.893 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1835405250 UDYRDEPWEUFOTC-RUZDIDTESA-N 495.584 0.142 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)cc1 1835998088 MUHYREPAMVQDCK-DEOSSOPVSA-N 450.495 0.685 30 20 JCED O=C1Cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5(O)CCCCC5)C4)C3)ccc2N1 1836789564 KSXTWJCUFQXCFI-SANMLTNESA-N 481.549 0.950 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1837397269 OECULGMYJYOCAP-KSFYIVLOSA-N 451.495 0.872 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1837401130 URBLMMSKMCTWMT-GBXCKJPGSA-N 469.542 0.910 30 20 JCED CC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n[nH]1 1837488351 BJNHYBPPVYGETE-QHCPKHFHSA-N 458.515 0.381 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C2)C1 1837531008 WBTNHKIAPBNEFG-WNLDODOPSA-N 451.545 0.847 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/C(=O)NCc4ccco4)CCO3)C2)c1 1837636400 YLMAWSWTELNIRH-CRTIWDKESA-N 467.482 0.422 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837659113 QIKAQHFIMIBTNH-DEOSSOPVSA-N 490.557 0.253 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049011 DMVNPKDSBJZPOQ-HTAPYJJXSA-N 458.519 0.529 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1839130862 YGYYMSGEECGMHB-PBQROFAYSA-N 493.601 0.911 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839132411 FVZIKLKNGYYJKV-QHCPKHFHSA-N 489.598 0.050 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1839222980 HACNIFSHGLQRAZ-MLGOLLRUSA-N 471.404 0.599 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1839225486 KRKOMJDCWDDPCJ-QMHKHESXSA-N 458.515 0.801 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839413512 CNEXEKYAPDPGMR-JOCHJYFZSA-N 475.502 0.652 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2Cl)CCO3)CC1 1839423581 LFNRHFWQVVJJJB-XMMPIXPASA-N 490.004 0.919 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1839847199 YKLVPYOBFVVEMB-DGGJZMOXSA-N 482.578 0.424 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c(O)n1 1840228204 HOCIJQHOKZMREO-BXKMTCNYSA-N 472.542 0.502 30 20 JCED CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1840547807 WIKBFGTZSDVFMR-QFIPXVFZSA-N 463.556 0.382 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc([C@H](C)C#N)c2)CCO3)CC1 1840714997 OAPOJIWEKSGADS-FQRUVTKNSA-N 497.596 0.548 30 20 JCED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2 1840763919 YFQKSFUOHZQBTK-XMMPIXPASA-N 472.542 0.942 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(N5C(=O)C=CC5=O)cc4)CCO3)C2)CCC1 1840771942 YCPGRLPAZVUEEH-VWLOTQADSA-N 478.505 0.880 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840907387 SZXMPVQMJXLXDC-MHECFPHRSA-N 489.525 0.626 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C 1847804119 DIYNIZIPWHXQNR-QZWWFDLISA-N 451.520 0.683 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)NC(=O)OCC 1847939890 KFYWJJROXOBQRN-UGUYLWEFSA-N 454.524 0.722 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 515684884 NEJHKJYLIWSKGD-UHFFFAOYSA-N 483.546 0.160 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)c1OC 518725890 CCAZTQQITJHDOV-UHFFFAOYSA-N 498.605 0.556 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O 608911162 OAIGHPTUTRAZEY-UHFFFAOYSA-N 454.430 0.321 30 20 JCED CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)cc1 608912113 DNSIHHTZVSLFJU-UHFFFAOYSA-N 488.635 0.708 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)c1 615153470 VVEXUNAUPOCADC-IBGZPJMESA-N 485.628 0.503 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)n(-c3cc(C)on3)c2C)c1=O 725763609 OBAJJBUFDOOXOM-UHFFFAOYSA-N 499.593 0.916 30 20 JCED COCCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccc(C#N)cc3)cc2S1(=O)=O 746581072 XNECAEIIULXNBF-UHFFFAOYSA-N 457.464 0.822 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 749372841 ASTCAGAKHSNDTH-UHFFFAOYSA-N 454.552 0.672 30 20 JCED CN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C1(C#N)CCCCC1 914667903 LBSQIJMXZZGEIY-UHFFFAOYSA-N 462.528 0.649 30 20 JCED CC(=NNC(=S)NCCN1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 915925302 IVBMAVBXTRPDRK-UHFFFAOYSA-N 455.606 0.228 30 20 JCED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 916943793 YRVWYTHHRLONJZ-IBGZPJMESA-N 498.517 0.945 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 917207306 UCOIOJDBSZQLCP-QGZVFWFLSA-N 486.550 0.716 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C(N)=O)cc2)cc1 918263559 FVWVYVSPCGPDQZ-XIEYBQDHSA-N 457.512 0.853 30 20 JCED CCOCCCNC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919664910 MVRHRMZIXVOTQA-DOTOQJQBSA-N 463.512 0.875 30 20 JCED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1cccc(Br)c1C#N 1211661984 SAWNWINGPFSBAJ-UHFFFAOYSA-N 459.366 0.732 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1293245029 YPKHTTIJCQRUEA-FUHWJXTLSA-N 458.544 0.878 30 20 JCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(N3CCCS3(=O)=O)CC2)CC1 1307836727 KDIDJPVLVDHWQI-SFHVURJKSA-N 451.618 0.957 30 20 JCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(C(=O)CN3CCCC3)CC2)CC1 1459442489 RVBOIUPFRKIPNM-QFIPXVFZSA-N 456.566 0.775 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1503406445 KGCBKGBVYDEHNW-SJORKVTESA-N 459.532 0.643 30 20 JCED CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1517596122 SVIWEIRKVKXKLK-IBGZPJMESA-N 487.586 0.788 30 20 JCED COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1518972606 IRIUUSBJPFKUIX-JTSKRJEESA-N 492.602 0.986 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1611663769 QBAZUDJDFGLILL-YOEHRIQHSA-N 466.589 0.831 30 20 JCED CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1619503409 LNUPLYULWOACSS-RXVVDRJESA-N 461.544 0.894 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1629454244 VSXPBPMBCPZUEV-GDBMZVCRSA-N 452.533 0.977 30 20 JCED CN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H](CNC(=O)OC(C)(C)C)C1 1630979152 SLROZISPVZRBBE-CQSZACIVSA-N 451.549 0.392 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1697023841 QSPRLZJNGRJAOK-KRWDZBQOSA-N 475.575 0.688 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705688369 QPLXKHPVJYDANQ-HNNXBMFYSA-N 489.440 0.735 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CCO1 1711368986 SDVVBSFLPQOEBV-WIYYLYMNSA-N 483.573 0.648 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OCCN(C)C)cc1 1723956810 RQWLEPUIHCTYFT-QFBILLFUSA-N 477.591 0.606 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(CO)c1 1741939732 CFCXQRCWJNHBFA-DNVCBOLYSA-N 459.576 0.605 30 20 JCED C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1751145155 PJMZBRMLSKPYBR-HKUYNNGSSA-N 481.623 0.462 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)C1=O 1778710763 LPTQZXOUDPBDOR-VVQFEGEESA-N 470.482 0.794 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)c1cc2n(n1)CCCNC2=O 1778915759 ADACEYUYRYNDLZ-PXDATVDWSA-N 497.596 0.843 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCS(=O)(=O)CC1)CCO2 1778998613 GJYODEYEVPFEHJ-QFIPXVFZSA-N 483.707 0.598 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1779021128 GQLCGTDWAHRJFP-XWRADEMYSA-N 460.491 0.058 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1779102336 GVRNNSPPWXSGNM-OMJZWIOZSA-N 463.491 0.072 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN(CCO)CCO)C3)c(Cl)c1 1781106725 GIOGLSNMTOPGLW-NFBKMPQASA-N 478.977 0.626 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)N2CCOCC2)C3)c1 1781149821 QBBLTCBIAYWSPH-KIFXHHALSA-N 456.543 0.645 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1781166328 KJQMNVZLTNEJAS-KOSHJBKYSA-N 492.573 0.965 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1781290170 FTSONWLEYJFGES-VFNWGFHPSA-N 452.556 0.159 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)cc(C(F)(F)F)c1 1782033779 HIKFMXUOGLLYDH-SFHVURJKSA-N 490.375 0.745 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1782128141 XTWMQCDVGJAFLX-KSEXMQBYSA-N 456.499 0.653 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)O2)C1 1783555992 MOTCDWDCQSVEHN-KSFYIVLOSA-N 477.514 0.073 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1783603572 PFVHGHCPYCQJPW-HJPURHCSSA-N 478.546 0.967 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1785518121 UULYXCIZDBZGIF-LRDNONRASA-N 459.565 0.591 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788652590 IZCMLTXIVPTLKB-ZFLVSSJOSA-N 459.565 0.176 30 20 JCED O=C(Cn1ccncc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1790580116 PIVUOFRNGHKXPF-IHPCNDPISA-N 454.914 0.928 30 20 JCED CN(CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C(=O)OC(C)(C)C 1791079320 JEQDSFZJIOZJGK-ULQDDVLXSA-N 451.520 0.701 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791265321 DPDXBAMDDDTHCL-QTVXIADOSA-N 458.581 0.053 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792282696 PZRDDLILNMJCEX-FJIDUMEYSA-N 479.578 0.331 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)C2 1793350096 ZQTGSAOGFBTALK-WCXIOVBPSA-N 453.511 0.573 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598393 DXBUWAREGGXYIB-XMTFNYHQSA-N 481.594 0.398 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C 1795963402 YXXNGIBZAPUQME-UJWQCDCRSA-N 492.621 0.819 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1 1797609147 SPTNQOYWQMZNGF-ZFUSTQJFSA-N 476.574 0.880 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1797741218 PVSPPSKKOOCLMY-VRSUEAKESA-N 458.544 0.431 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1797744162 SUKDZSNOFYSKCM-PHDTUNDDSA-N 452.559 0.814 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)cn1 1798029314 AMDJVUHNPOPZTB-KUIZXIRVSA-N 463.332 0.906 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)[nH]2)c(C(F)(F)F)n1 1798180878 LLOPVEDNXCJFJB-WDAIWFPHSA-N 450.377 0.918 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1799301596 BOBSAKOVVAZGTB-WQDJSCAQSA-N 493.557 0.664 30 20 JCED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(CCO)CCO)C3)N(C(=O)OC(C)(C)C)C1 1802508713 VKGUXYURUFRSAR-YRPNKDGESA-N 480.606 0.477 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804356499 ZUOXWPNSTXYLFQ-GPMSIDNRSA-N 457.487 0.195 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1804373213 MBYPIQWUBQMXCL-QRJUGERDSA-N 461.519 0.139 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2(N3CCN(C)CC3)CC2)[C@@H]1c1cccnc1 1807936126 CPUGRJRWNWNMFQ-HJNYFJLDSA-N 453.587 0.906 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1808423570 UMXLDSSDYVNIQR-UXHIBOPISA-N 486.594 0.875 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[C@@H]1c1cccnc1 1809451592 BQOUDELDFSHMTK-QRWLVFNGSA-N 485.460 0.373 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809963896 YSZIKVLSLCNLJA-UHFFFAOYSA-N 454.535 0.544 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)C1 1826186419 WWCNNYAEWZQWGY-GTJPDFRWSA-N 478.527 0.515 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828522069 DQZFXNOAMMNDSQ-HOYKHHGWSA-N 475.542 0.322 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cnc3Cl)C2)C1 1829765198 MBHCIMGPEJWZMP-QATSOJGNSA-N 462.934 0.972 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CC)NC(C)=O)CCO2)C1 1829864627 DPVABEXQBHCGRC-IECBHUPTSA-N 496.605 0.827 30 20 JCED COCCOCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830060100 HRZGLABDMRKOSZ-HSZRJFAPSA-N 485.578 0.079 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)CCOC1 1830060197 JLGVTVCNFKYUOB-XZOQPEGZSA-N 480.562 0.676 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352563 QUYBFWSMISRTRA-WPWBMXPQSA-N 471.554 0.426 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830674462 IZAUZXIBVDTXQV-HCXLOTKHSA-N 454.527 0.865 30 20 JCED CC(C)(C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ncc(Br)cn1 1830941614 VOPSLOUVDVCIRN-FQEVSTJZSA-N 495.330 0.061 30 20 JCED CN1CCN(c2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2)CC1 1831207589 SNNQGTDMZBUAMQ-AREMUKBSSA-N 466.582 0.922 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NC(C)=O)CCO3)c(C#N)c1 1831478198 NYTTYFIZHBNRJZ-DEOSSOPVSA-N 472.542 0.480 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1831999708 AEYMMHHGUFXJKR-NYHFZMIOSA-N 480.518 0.920 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1 1833474754 AJXNDXGHVHRXRQ-HSZRJFAPSA-N 452.467 0.650 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)NC(=O)C=C)C3)C2)c(O)n1 1833700297 SHPRZDNTQUNZJZ-XDHUDOTRSA-N 472.542 0.667 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1834755985 GSBJBDKDRMDGQX-HSZRJFAPSA-N 454.483 0.433 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1834947654 AQNQRVRXHBDWRQ-NLSFWIRASA-N 466.579 0.474 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338520 JUQRIZGVAPLLQA-RHGYRFJNSA-N 492.573 0.771 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)ccc21 1835342423 ZIIPBMVZTRGSMY-QHCPKHFHSA-N 453.499 0.251 30 20 JCED Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(-n2nccn2)c1 1835678121 ZASYSJUBQBJJCA-VWLOTQADSA-N 495.584 0.928 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1835844471 VQYDNBXJXVPSMF-OXJNMPFZSA-N 453.584 0.510 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)c1ccc(O)cc1 1836214259 MGBGIJULABUDBI-HYBUGGRVSA-N 467.526 0.637 30 20 JCED CCc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c1Br 1836284941 BOTKNVYAHWMSTQ-SFHVURJKSA-N 454.325 0.729 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837291575 KQTFJZRGFUDHMJ-VSDWSMLSSA-N 457.483 0.216 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1837397221 TUWJHRZBPHATST-AVRDEDQJSA-N 450.536 0.173 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1837446677 MFMQDLJPQXBZKL-MXDUJFBHSA-N 458.559 0.518 30 20 JCED Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493824 ZMTLNOCULJEJPZ-NTKDMRAZSA-N 458.559 0.908 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837562110 DAKXARDIZAJHHZ-JEHGDBSQSA-N 452.471 0.740 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837669170 LTYYISOUGXOVMQ-HOYKHHGWSA-N 456.543 0.862 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837701657 VIJLPPPRGNRVGS-QRQCRPRQSA-N 460.918 0.972 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837924386 ZEASTTNUGJNVBR-QOOAHNBZSA-N 450.927 0.672 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838117263 PPODNMBCFILXHU-JPYJTQIMSA-N 453.499 0.376 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1 1838581609 CNDBNUPFPQKMJX-QFIPXVFZSA-N 469.454 0.152 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc(Cl)c3OC)CCO2)C1 1838724238 OLDYERAVPICPRU-YCRPNKLZSA-N 451.907 0.852 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044626 PBMPLBYEIXZDQG-AOMKIAJQSA-N 462.572 0.560 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839139803 VLBNULZKEDXDNK-HSZRJFAPSA-N 480.562 0.678 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)NC=O)CCO3)N(C(=O)OC(C)(C)C)C1 1839165847 XKAZPIAZKIKGHR-IEGUWTFLSA-N 480.562 0.143 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839203477 MECIOCFGLRQAMJ-MBSDFSHPSA-N 465.547 0.132 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1839225871 WYLVSFRNVHKQBL-MWTRTKDXSA-N 473.530 0.926 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(NC(C)=O)c(O)c1)CCO2 1839472265 KVTVZHGSJVRKAH-WNWNSBFKSA-N 486.525 0.279 30 20 JCED CC(C)N(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488959 KIBCVWHCOHLRDV-HSZRJFAPSA-N 454.531 0.845 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1onc3ccccc13)CCO2 1839544431 ARURAPMVUQYWNN-XBKFQHLESA-N 454.483 0.756 30 20 JCED C[C@H](Cc1ccncc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839657720 HBFLSLRGEABWAW-DVECYGJZSA-N 457.575 0.998 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1839801607 SBGXAYXCEQPCCH-QFIPXVFZSA-N 463.556 0.783 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840164775 QCJXMKXVCCNJGT-YGKZAACZSA-N 499.630 0.787 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840176198 ZYKTXARTSZPMTQ-ZVVFGRKBSA-N 479.574 0.901 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840450268 YRHXEBCOCOZYBJ-WZONZLPQSA-N 490.561 0.041 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840497094 HRKAXKSEYNUHFM-NXWDISQXSA-N 462.503 0.315 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840712838 VJVQSMPZWGHOGW-IXFSTUDKSA-N 492.598 0.711 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C(=O)OCC)CC3)CCO2)C1 1840817702 QBCMMKRXCUIORY-CYFREDJKSA-N 481.590 0.884 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840842141 PWDMQJVLOYZCLP-FDDCHVKYSA-N 465.547 0.492 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842815426 XQILOQPPPSSUKK-HNNXBMFYSA-N 450.540 0.835 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)c1 16559703 MINNYIYGMMRFLL-UHFFFAOYSA-N 461.471 0.803 30 20 JCED C#CCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1CC=C 27502653 SUVAFKKLDSJZOQ-UHFFFAOYSA-N 461.569 0.994 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccccc3OC)c2=O)cn1 523858249 GSFCRYBFAWOTHW-OAHLLOKOSA-N 467.551 0.778 30 20 JCED COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c1=O)O[C@H](C)C2 591000384 LWLOMWFGDVKPRU-CQSZACIVSA-N 467.547 0.939 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(OC)c2OC)c1=O 603793688 WETJPBAUJQUKFI-UHFFFAOYSA-N 468.579 0.780 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)nc1 608884264 WOCWZBBSCSLINI-AWEZNQCLSA-N 451.508 0.352 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCS(C)(=O)=O 729673403 NSCRHSBWMNWRIV-UHFFFAOYSA-N 499.561 0.975 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(OCC(N)=O)cc2)CC1 730449613 FCIFYCCUINMPEN-UHFFFAOYSA-N 486.506 0.112 30 20 JCED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCN(c2ncccn2)CC1 913173910 RXXOXFJACLSRDB-FQEVSTJZSA-N 486.554 0.543 30 20 JCED Cc1oc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c(C#N)c1C 914664975 FAGDQRDCMBXSAP-UHFFFAOYSA-N 460.468 0.684 30 20 JCED CCC[C@@H](C)N1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 917981895 NENZGVAGTPDLKM-IEBWSBKVSA-N 490.582 0.971 30 20 JCED COC(=O)C1(NC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 918818472 QQMHRSWTIPWUPI-UHFFFAOYSA-N 451.501 0.651 30 20 JCED Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c1C 1208260031 UMKPCDIMIQYUJA-SFHVURJKSA-N 456.590 0.696 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)C1 1301688330 UZSODPHJHARMII-OALUTQOASA-N 493.634 1.000 30 20 JCED C[S@](=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)CC1 1302508751 SRWLYPSFIBHRCZ-JGVYIQDASA-N 470.621 0.652 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1)C1CCN(S(C)(=O)=O)CC1 1314683263 HXFOJDRMFNMNNG-NRFANRHFSA-N 460.560 0.828 30 20 JCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCN1S(C)(=O)=O 1505282910 RMJKZZSGGBZIJN-INIZCTEOSA-N 473.559 0.146 30 20 JCED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1618829909 MJXDVLUAGJSLGT-GOSISDBHSA-N 466.546 0.773 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)c1 1697307223 KDNRWQGZHCGXFN-GOSISDBHSA-N 456.503 0.973 30 20 JCED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1=O 1698076493 ZFQFTBQRXCOTTH-FUHWJXTLSA-N 451.531 0.979 30 20 JCED CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1709969977 MKGOTOCYABIPQL-SFHVURJKSA-N 488.570 0.601 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722481404 YNWAUBUZSSWBLY-NEPJUHHUSA-N 462.374 0.353 30 20 JCED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1728205813 UQZWEZWJPBXZCA-UHFFFAOYSA-N 455.519 0.550 30 20 JCED CC(=O)N1CCN(CCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CC1 1741057129 ILZRQGCDASBJKN-QGZVFWFLSA-N 472.575 0.162 30 20 JCED CC[C@H](C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1743853225 ISUZFWSDAQIISG-JZXOWHBKSA-N 452.629 0.795 30 20 JCED CS(=O)(=O)c1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1750191952 XOBQAHADRWJNCK-SJORKVTESA-N 479.584 0.555 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1761483485 ZCHGOPAMAYGANM-LRDDRELGSA-N 450.562 0.544 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)(F)F)C1 1761545732 XKSRTKZRPAHEHM-SUMWQHHRSA-N 493.512 0.420 30 20 JCED CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1777984011 ABMQMFWZOGZROY-KVEAQENSSA-N 453.540 0.476 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778165131 OXJPABFNRJMTMG-HXOBKFHXSA-N 457.531 0.971 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3cccnc23)C1 1778955940 ZQTLKPWYBIOQDR-YUVPUZHMSA-N 452.515 0.715 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779017465 PZGNEXRFYZBMNL-XWRADEMYSA-N 460.491 0.914 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779018945 LKDWCMJHKOEDFV-UAGSDZEYSA-N 498.621 0.374 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nc1 1779062819 QEPLVCMMCIPCGU-HSZRJFAPSA-N 475.567 0.627 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779107066 RONRFAFSNOCLJF-YGOAVPTMSA-N 454.524 0.870 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1779286838 AUCGZZNSHYZOIV-HKARXFIJSA-N 462.547 0.424 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779362807 RBGQXYLASGQINY-OTALEHGMSA-N 495.621 0.858 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1779553340 DXIKBPULNCVASZ-GVXMHFGOSA-N 468.551 0.180 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c1Cl 1780191507 CWQKKZWYJIKJEM-GOSISDBHSA-N 456.823 0.380 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1780741245 OMGKHFFSZUYBFM-AUUYWEPGSA-N 463.453 0.688 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729466 CLBBSAFYIQSVQY-PODSUIKTSA-N 451.527 0.925 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782872509 UBOYUBDSQYCDIO-RHGYRFJNSA-N 492.642 0.989 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)ccc12 1783562579 MFNVQBZOYLMAHE-QFIPXVFZSA-N 454.439 0.043 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566649 XPKRMLZCRSEGFR-OSPHWJPCSA-N 475.542 0.942 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2)c1ccc(O)cc1 1784022503 PSMBBZKIRUFNHN-IQGLISFBSA-N 477.521 0.922 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CSc4nc[nH]n4)C3)C2)c(C#N)c1 1784393996 VPYCKOVDBGPXOV-NRFANRHFSA-N 456.528 0.850 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)cc1C#N 1785196092 NBQITGSYUWHADZ-WZONZLPQSA-N 457.531 0.382 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369036 CBNGRAQUTUJYST-SAHWJRBASA-N 462.547 0.880 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1785514672 IIESUUAWAFXKEN-IERDGZPVSA-N 452.508 0.576 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C(=O)C1 1785669288 HBWODIBRLAGGCJ-QHCPKHFHSA-N 475.546 0.199 30 20 JCED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1786563596 VQVMETZNIGAYRH-BZSNNMDCSA-N 457.577 0.878 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789935414 IDSBRUPMGDZIDB-BCYZHJNNSA-N 467.563 0.280 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)[C@H](O)C1 1792449516 FULCPASHYJFKLU-RZFLPCETSA-N 464.563 0.744 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)[C@@H](O)C1 1792559033 KQNDBZMKPVJPAC-FLQYYVGBSA-N 498.580 0.918 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCOCc1ccccc1)C2 1793347345 BJBHHGDYZKEZKV-BQXRJHOYSA-N 488.581 0.864 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796307981 VPHVBCYJMKJZLK-SHJAMOMRSA-N 456.543 0.927 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1)c1ccc(O)cc1 1796358577 ZCQLUKXODUXVSY-DBHNTLKXSA-N 466.494 0.994 30 20 JCED Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)no1 1796418013 GJHWHHYWIZRPSI-VNZKTDEFSA-N 463.491 0.430 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC)NC(=O)OC(C)(C)C 1797761016 YIQXNXNAZXUDAX-CLWJZODNSA-N 497.662 0.920 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)N2CCN(C)CC2)c(C#N)c1 1799185621 KUKHLFWOTZZPPK-AEHXPESNSA-N 469.586 0.335 30 20 JCED CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800722086 JFBUHICJWCGJHP-JSSUQAMFSA-N 475.542 0.842 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)[C@H]2C1 1801992931 ADWCKKXKJXZKAS-SISKNIMQSA-N 461.515 0.595 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)OC)CC1)C2 1802128074 MYIYHTMSMDLLGB-YYIAUSFCSA-N 463.531 0.446 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCN2CCOC2=O)[C@H]1c1cccnc1 1809526680 RQTXXBWOOZTSPW-LHTVMBCQSA-N 455.515 0.788 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1810337914 PFVOMDVCHPBOMO-QHAWAJNXSA-N 487.557 0.864 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1810357956 XAAMYWPEBRDNBV-ODLQAIJCSA-N 494.512 0.661 30 20 JCED COC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819776416 BNWYCISMJJKDLG-NJSYOOGUSA-N 450.565 0.678 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)CC1 1825675538 ROGAYFXMBMXIDB-AWEZNQCLSA-N 491.570 0.696 30 20 JCED C[C@@H](CC(N)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828595801 XMAPROIWQYYNOZ-XDHUDOTRSA-N 484.509 0.038 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 1829773400 IOODFRGBTYJVET-ADWLJLTJSA-N 458.515 0.164 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1830462254 AQZZLUWPHAMRCH-RDPSFJRHSA-N 454.527 0.473 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1830886936 NSPIDNJXNTVUAX-UUOWRZLLSA-N 490.557 0.715 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](C)S)C4)C3)CC2)ncn1 1830957697 QCOBEFHGXSOAAH-OPAMFIHVSA-N 479.603 0.476 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1831388800 XRRMAUISDBGCGI-KDLAUNOPSA-N 493.557 0.060 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1831413193 POROZTOGSISVQV-OAQYLSRUSA-N 450.492 0.000 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSCC(=O)OC)CCO3)C2)c(O)n1 1831439518 MVLCRASXAZIDJP-HSZRJFAPSA-N 493.582 0.882 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1832453333 VGLBNLAVODYDOZ-HXUWFJFHSA-N 452.533 0.687 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CC2)CC1 1833074867 DJEBRMAXXBEKJY-PLNGDYQASA-N 495.584 0.375 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(Cl)c3)CCO2)C1 1833576523 OUJGVPQOPLVZNX-OAQYLSRUSA-N 465.938 0.792 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768974 SFWGRSHOTAGBBV-QVKFZJNVSA-N 450.492 0.283 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)cc1 1835447474 CZUIPWAKYPMXLI-DEOSSOPVSA-N 456.543 0.545 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)s1 1835674240 GHJMVARLULCNDA-HXUWFJFHSA-N 450.565 0.127 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1835678096 YBUUEXXMPKCMDM-FQEVSTJZSA-N 450.927 0.482 30 20 JCED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835739012 MGMNWQBZAGIADJ-NSRYLYFRSA-N 482.651 0.571 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1 1835768826 FOIUKIIMNRQAJN-YYHBXHNPSA-N 488.545 0.889 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)cc1C#N 1836213502 KIFBPLGPXVFAKT-HSZRJFAPSA-N 468.514 0.707 30 20 JCED CCn1c(-n2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)C#N)C4)C3)cc2C)cccc1=O 1836259761 HLGQDTJXGXPYQK-RUZDIDTESA-N 496.568 0.982 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2)c1ccc(O)cc1 1836353818 MJTUSUVHHMWBLL-FDDCHVKYSA-N 453.499 0.778 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1837396440 GXHAEGDOGABFCW-CYFREDJKSA-N 469.542 0.910 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1837400363 DFQZUWZAETXMQR-KOSHJBKYSA-N 499.605 0.557 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n(C)n1 1837524776 MJTUAAYEGYWRSA-ZISMNVMJSA-N 465.507 0.028 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1837564590 YOCFYCXHQHBRIP-JBMWNJKUSA-N 485.522 0.538 30 20 JCED Cc1c(Br)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)nn1C 1838769453 YLHRYLLCAPLHIL-SFHVURJKSA-N 454.325 0.865 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1839225403 IXQQWLKZGXWIFY-UUOWRZLLSA-N 487.557 0.597 30 20 JCED COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)c1OC 1839226948 ZUGJRSFNIYJWAH-AOMKIAJQSA-N 464.519 0.970 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)cc1)CCO2 1839336538 NUJJALJMVNAFAR-RRFNBQSRSA-N 479.537 0.801 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1839840170 ZDHXOMRNLSAHND-IIBYNOLFSA-N 451.545 0.767 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1839840359 AMDNXHQGCLRKCL-JTSKRJEESA-N 465.572 0.908 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)C1 1839841055 LSWBAKPMQQCHFC-DFBJGRDBSA-N 498.584 0.848 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)CCC1 1840815045 UATJXUJULXMVJL-JOCHJYFZSA-N 473.555 0.042 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840886520 NLYJGISIDABTJO-DEOSSOPVSA-N 473.526 0.983 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840908410 AWZNDPSCQYEEGP-UZUQRXQVSA-N 460.531 0.663 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CCOCCOCCOCCOC)C2 1841055295 QAFBNNCCUKKKJQ-WAYWQWQTSA-N 467.563 0.135 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1847068589 DWBPQZMQZYOEBE-IRXDYDNUSA-N 494.589 0.992 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C1CCN(C)CC1 518724323 VJGCRIICVYSHBQ-UHFFFAOYSA-N 453.524 0.890 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O 524121969 VOBQXWOSHZCYPF-LLVKDONJSA-N 487.525 0.995 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OC)c1=O 603794508 GAWCDYQNXVSOJV-UHFFFAOYSA-N 457.552 0.707 30 20 JCED CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2)CC1 609005799 YMZKAOFFURWFFR-UHFFFAOYSA-N 489.580 0.993 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CCS(C)(=O)=O 729672880 MSSBCTDNJVNQJS-UHFFFAOYSA-N 497.982 0.366 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)CC2)o1 749290984 XCBFLDFGIUIBER-MRXNPFEDSA-N 493.567 0.961 30 20 JCED C[C@@](C#N)(NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C1CC1 771823437 BMOUNISURKYEPY-YOEHRIQHSA-N 474.333 0.440 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1 811919457 CLLNLTWEZNUAAA-NRFANRHFSA-N 456.480 0.719 30 20 JCED C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCC(C(N)=O)CC1 857763528 IRVVIUAERSQCIW-OAHLLOKOSA-N 476.555 0.615 30 20 JCED C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)Nc1ccccc1C#N 912685453 KIDRQRWWHPAECD-CQSZACIVSA-N 456.480 0.863 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 914850189 HSGLWHSLUKIWFQ-CQSZACIVSA-N 460.516 0.238 30 20 JCED CCc1c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnc2ncnn12 915391597 NKCCMRIWROJVQK-UHFFFAOYSA-N 483.510 0.248 30 20 JCED Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3c(C)nn(C)c3C)c2=O)c1 917356344 JNZRUPPWGDQIKM-UHFFFAOYSA-N 463.563 0.920 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(Cc2ccco2)CC1 918817154 ACPYJQZCPGDNIZ-UHFFFAOYSA-N 460.512 0.596 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)CCC2 920397033 UXNHLCKPKMEURM-UHFFFAOYSA-N 463.563 0.777 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CN2CCCC2=O)n1CCCC(=O)N(C)C 1305121011 NGCJQMZUBADSPG-KRWDZBQOSA-N 480.577 0.646 30 20 JCED CN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1 1610999745 LIQRKGOFGCMYGP-MRXNPFEDSA-N 451.549 0.504 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617349992 YHMNPZYXXIGUTQ-SFHVURJKSA-N 461.596 0.527 30 20 JCED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1623278020 NLPRLRFTJODIAA-HUUCEWRRSA-N 456.546 0.644 30 20 JCED Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1693400196 GLZWQEKXADOCPA-RHSMWYFYSA-N 461.596 0.464 30 20 JCED CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1710199147 XWNMHWXKHMIPLH-UHFFFAOYSA-N 450.507 0.850 30 20 JCED COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1768601456 VBSACMYFGOUCNJ-WMLDXEAASA-N 464.548 0.877 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781098559 LMAZGKVLXGSFIF-FHAGJXEFSA-N 493.649 0.922 30 20 JCED O=C(COc1ccc(O)nn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1781493995 ILOIEYXWIRATON-CCZRKIPMSA-N 457.487 0.787 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1782848780 HYKKTLQNHNWRBR-XMSQKQJNSA-N 458.519 0.988 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(F)c1I)CCO2 1783562603 CNWATTMWPPUPQX-GOSISDBHSA-N 486.237 0.962 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784033721 JSZDPFLGBRDHHS-SAHWJRBASA-N 464.563 0.812 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C[C@@H]21 1784484010 NPZUHXQIFODZCE-SQDZQZBLSA-N 469.582 0.905 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784915664 YOIKKPCDZIAADT-ZDEQEGDKSA-N 454.417 0.894 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)NC(=O)OC(C)(C)C 1785308334 GZFHTYJFDPUGDR-MWTRTKDXSA-N 496.561 0.219 30 20 JCED CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)c1 1785587688 VZHFQOICVHWRIR-YYWHXJBOSA-N 489.594 0.777 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1785598469 RXQAYKTUUAQZEP-NLSFWIRASA-N 474.562 0.968 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787500706 RDCGBLBJPNFZIV-LGFJLYTPSA-N 453.565 0.569 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)C[C@@H]21 1788471468 GZHMESIWNYNYAZ-YMFLFHJQSA-N 464.906 0.869 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1788631196 APMZHBIPFMBODK-UFYCRDLUSA-N 481.615 0.090 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cccc([N+](=O)[O-])c4=O)[C@H]3C2)cc1 1790652177 GUWFSXNWRVXKMK-ZJOUEHCJSA-N 479.493 0.851 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C[C@@H]21 1792256838 MUHNSTUNXNEFMC-VMXHOPILSA-N 476.574 0.504 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1792268108 VXVCIHJJJKIWIH-KBMHIWDXSA-N 478.590 0.158 30 20 JCED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)no1 1792558133 MKPCFDXZBOWGCL-OPMZPASUSA-N 451.483 0.417 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(OC)OC 1793173433 QPSRSOPHRYNMMV-IFSBAMAHSA-N 453.536 0.664 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1793340168 OCWBVFPOEAINJB-OIWXBPFHSA-N 499.630 0.276 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)NCC)C2 1793597332 MEWYBPITIUGUBM-DFBDCSAJSA-N 481.594 0.753 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(NC(=O)OCc2ccccc2)CCCC1 1797119756 HJCXMQJSGGOLSH-HATOLVCRSA-N 483.521 0.903 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1c(=O)n(C)c2ccccc21 1797172445 HZXFQKPGEJTFBN-NNNWTRQLSA-N 456.543 0.503 30 20 JCED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1I 1798115552 NXOWJJSVHTVQPS-PEGIJTEDSA-N 457.272 0.767 30 20 JCED CC(=O)Oc1ccc(Br)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1798521578 OYMRKUNRKXLQHB-DBWKPXFBSA-N 479.283 0.666 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)[C@@H](O)C1 1799196762 JILZHIVZIYDRKE-PJVZLEMVSA-N 493.605 0.086 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c(C(=O)OCC)ncn2C1 1800324520 HDMUEDNDGFJHBW-YFYQMDMQSA-N 474.558 0.803 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800525437 JBPXTXLXMQJENG-LVEJAMMSSA-N 464.563 0.572 30 20 JCED CC(C)C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)N(C)C(=O)OC(C)(C)C 1800778941 WXPWBCLSOKYHTP-CLWJZODNSA-N 465.547 0.946 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H]2C[C@H](O)[C@H](C2)N1C(=O)OC(C)(C)C 1800788462 MROZEEGRZVBGAK-GVNFVFRUSA-N 461.559 0.748 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CN3CCS(=O)(=O)CC3)C4)c2c1 1800873262 ALNBWDIOASVFPM-BJWYYQGGSA-N 470.555 0.417 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1801003363 KMCGSZTZXZJIFE-LHLFZBRESA-N 450.513 0.692 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)Cn3cnnn3)C2)CC1 1810160898 FJPWSQIEWNBWLH-QGZVFWFLSA-N 459.551 0.821 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1814065056 DYGYMRJMDUGGSU-KBMIEXCESA-N 473.489 0.963 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819885983 DXQAQTRGBUJCMF-NNEOQJNXSA-N 467.548 0.235 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(C#N)c[nH]4)sc3C2)CC1 1821604396 UVLZSHZANQPROA-OAHLLOKOSA-N 455.544 0.733 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)Cc3cn4c(nc3=O)SCC4)sc2C1 1822481920 RSGADSNEVYZYSZ-LLVKDONJSA-N 459.509 0.048 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1826651127 QFOMJHKBGQUHGW-YHALKEMLSA-N 486.602 0.997 30 20 JCED CCOc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1829540512 UMLOUHAIFJXDLJ-HSZRJFAPSA-N 459.547 0.832 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cc3C(F)(F)F)C2)C1 1829766404 WUKMLGFVRJRTNB-OLEQZPESSA-N 484.475 0.972 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1 1830063089 IIOVAQGBKYITDE-QHCPKHFHSA-N 459.499 0.858 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1830638252 KWJUWHYWROWHNS-JOCHJYFZSA-N 456.503 0.256 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831028248 AZJGTCFOFFAFBK-ZHRRBRCNSA-N 471.551 0.531 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(C)(C)C 1831088252 WGPWODLNKVFNHG-MBSDFSHPSA-N 465.595 0.275 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1831420206 STYYQORBTONHTA-JTSKRJEESA-N 466.556 0.751 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CC1 1832112202 ZJJFWPUKYPWBLY-HSZRJFAPSA-N 492.573 0.509 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1833473511 VJVQDOKWMWTUMO-DLBZAZTESA-N 458.625 0.477 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CNCP(=O)(O)O)CC3)CC2)c1 1834665459 CPSIYGZYPBJWRL-UHFFFAOYSA-N 477.502 0.777 30 20 JCED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1834852436 QNZHSKOWSCLFLW-KTBYTZPXSA-N 450.513 0.897 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CS(=O)(=O)c3ccc(C)cc3)CCO2)C1 1835183817 JNTLXBNHRIMOQK-XXBNENTESA-N 480.583 0.816 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1cccnc1)CCO2 1835691689 PKCTVSAKGBWPQM-MBSDFSHPSA-N 460.531 0.848 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1835799619 ACMIXJRQEZREOF-NRFANRHFSA-N 457.512 0.746 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835923774 DBZDRAPEYVBVDX-KSFYIVLOSA-N 456.503 0.256 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)CC3)CC2)c1 1836258533 VRRZJDKLPDKZKV-UHFFFAOYSA-N 474.525 0.788 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c4nccc-4c3)CCO2)C1 1836443119 RCISTMMVZZRPLT-HSZRJFAPSA-N 454.531 0.866 30 20 JCED O=C1Cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)ccc2N1 1836789487 GITWWBASNBMUKN-INXSEKFSSA-N 486.525 0.780 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1837405165 JCHHWXVZQLIKMP-CVDCTZTESA-N 450.507 0.961 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1837405756 ZWDMZCZSQRZDBR-DVECYGJZSA-N 481.590 0.884 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1837443545 FSTVCFRNMVYNBI-AXDLBROPSA-N 451.474 0.902 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1837524464 HZGSHXUPWVHCLC-KKRXVXNVSA-N 450.467 0.820 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1837533431 UBAAOAFJKWFXOZ-AIBKJFCZSA-N 452.552 0.458 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837676468 LCFHKQJQRPKWOE-OSPHWJPCSA-N 472.542 0.942 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](COC)NC(C)=O)CCO2)C1)c1ccccc1 1837732451 YLLVZHPGDZSPJU-JCYRPKCISA-N 485.581 0.791 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5nc(CO)[nH]c5c4)C3)C2)c1 1838737572 ZQZKHWZSRJSXTR-HSZRJFAPSA-N 464.482 0.639 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1838840741 FWCSIJCBGAALCO-UZUQRXQVSA-N 463.531 0.742 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)CCO2)C1 1839036103 QPYRISMNVIGGRJ-HOOSLVGPSA-N 475.517 0.439 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)COc5ccccc5C#N)C4)C3)CC2)CC1 1839108381 IDFVKOXMXFPGCW-RUZDIDTESA-N 497.596 0.173 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(OC)nn4C)C3)C2)c(C#N)c1 1839131742 WKWMUXYJNLSBIZ-XMMPIXPASA-N 483.525 0.622 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c(C#N)c1 1839132394 FPQNAQJHKLOEMM-QHCPKHFHSA-N 483.481 0.081 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO3)C2)C1 1839138441 AHFYIYHVJIBVGH-QHCPKHFHSA-N 467.563 0.950 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185755 KFHXUJLNULJGJS-AOMKIAJQSA-N 496.561 0.024 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO3)C2)C1 1839209976 ZVLRJQSICFQSMY-FDDCHVKYSA-N 467.563 0.685 30 20 JCED COc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1OC 1839375822 NJCOLMBTAQDKAG-NRFANRHFSA-N 450.419 0.001 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839723884 WSHDSXXFHBIDSE-MBSDFSHPSA-N 475.546 0.325 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839894120 JOQCDPLRMCZOLC-FOIQADDNSA-N 495.495 0.837 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)CCO2 1840072884 CUNAHIOKNMFPEU-ZCVJKFOLSA-N 486.525 0.128 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1)c1ccc(O)cc1 1840221719 HEZNOLZBVSNAAN-XXBNENTESA-N 468.514 0.032 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1840726928 WZMVJIKECLCMNB-DEOSSOPVSA-N 471.558 0.997 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840771584 GFQDDGIWKKNLDP-NYHFZMIOSA-N 459.524 0.504 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1F 1840772300 LLGZDTWXJLSSCQ-JOCHJYFZSA-N 490.513 0.813 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1840907224 QUVBPMIKTNBLKC-KOSHJBKYSA-N 489.573 0.715 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1847259221 ZNPKKMIHNKDBSO-AKSSPNHOSA-N 462.547 0.683 30 20 JCED Cc1cnc2c(S(=O)(=O)N3CCN(c4c(C#N)c(=O)n(C)c(=O)n4C)CC3)cccc2c1 25573531 PKRSGBQEIKCDFR-UHFFFAOYSA-N 454.512 0.323 30 20 JCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 517178898 IDNVIOIMDRKHMO-UHFFFAOYSA-N 476.536 0.433 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 523257116 IMPPURDZWCTJBN-UHFFFAOYSA-N 483.575 0.028 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 551876640 XCGXOVXYCXTVCP-UHFFFAOYSA-N 475.958 0.955 30 20 JCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 603987770 SQBVYMMVZZJSFJ-UHFFFAOYSA-N 461.569 0.957 30 20 JCED N#CCN1CCC(NC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 609335573 BRFMZDNOZGETBD-UHFFFAOYSA-N 463.560 0.852 30 20 JCED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 609357833 MSSNTKHVAIMKHD-UHFFFAOYSA-N 464.482 0.881 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(C#N)cn1 730891444 SHUDBRVQUWLBOU-UHFFFAOYSA-N 460.468 0.778 30 20 JCED C/N=C(/NCCN1CCOCC1)NC[C@@H](O)COc1ccc(I)cc1 849072758 DPKUYASFJZZTFR-OAHLLOKOSA-N 462.332 0.528 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 914756866 CKSVKOSXHVVEPC-CQSZACIVSA-N 486.510 0.620 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 917888514 VCHXZSRUBDUTGW-UHFFFAOYSA-N 464.544 0.669 30 20 JCED CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)N1CCOCC1 918253000 MOKXXUZDTMDYQA-UINQJLALSA-N 479.603 0.911 30 20 JCED C#Cc1cccc(NC(=O)CN(C)C(=O)CSc2n[nH]c3nc(=NCC)nc(NCC)n23)c1 918330407 SOINVYPMHXIGQA-UHFFFAOYSA-N 467.559 0.975 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccccc1CN1CCCC1=O 919034661 XVYYTUFQSOKZSY-UHFFFAOYSA-N 484.534 0.819 30 20 JCED COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 920014887 NWAQSSSXMOYIDK-UHFFFAOYSA-N 461.496 0.944 30 20 JCED Cc1c(NC(=S)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)c(=O)n(-c2ccccc2)n1C 920359586 CNXYNGHMOGKHAR-UHFFFAOYSA-N 467.515 0.491 30 20 JCED C[C@@H](OC[C@H]1CCCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 921228689 UUQPSAUFJGQTDG-IEBWSBKVSA-N 479.555 0.909 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)c1 927574041 XSMFYMMZYCWDML-RDJZCZTQSA-N 456.542 0.083 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1315072676 RWRSKZSZXXWJHW-MAUKXSAKSA-N 464.548 0.518 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1=O 1316116045 LUBKFKIWGFGDEV-PZJWPPBQSA-N 481.557 0.653 30 20 JCED CCOC1CC(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)(N2CCOCC2)C1 1467651014 VOEFYWDYXUGVFF-SRWJYRBRSA-N 450.561 0.611 30 20 JCED CC(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1509734449 YMXBHWADFPVZFL-SFHVURJKSA-N 486.602 0.688 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516827187 QUEOZLCVLBVLCX-KRWDZBQOSA-N 459.580 0.583 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC(O)CC1 1554303561 OOEBSDGUAQDZDE-UHFFFAOYSA-N 461.592 0.649 30 20 JCED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1630007827 XDQCPVHRCSDZPL-CYBMUJFWSA-N 451.530 0.537 30 20 JCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C2 1654979967 ZCANKUNHBFZXFW-UHFFFAOYSA-N 458.422 0.228 30 20 JCED CC(C)N(C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1706886564 ADVXTCAVDMOIJE-SJLPKXTDSA-N 452.629 0.795 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722555838 MDLCVLCSSAARJV-CQSZACIVSA-N 490.995 0.573 30 20 JCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 1750193265 OWJOTIRLXXBKHC-GDBMZVCRSA-N 465.557 0.512 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778008675 CRNBDVZZQQWITG-WZONZLPQSA-N 467.482 0.966 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019461 QLLUWZGCDHJKKU-RTGFIBOWSA-N 481.594 0.564 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779101884 UDLIGNJOZCIIJO-PIVQEWKSSA-N 494.570 0.599 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779107896 YNKLACOKNPVOEL-ASGADCPJSA-N 470.523 0.188 30 20 JCED Cn1c(=O)n(CC(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)c2ccccc21 1779136820 VFLNGPSKQLLGSX-ZHIQAQTNSA-N 465.510 0.882 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779140190 UUNMWBVAZYTQGA-WISBUKIJSA-N 478.546 0.804 30 20 JCED CS(=O)(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779428139 IYCNYYWMZUQMRB-XBMHIATGSA-N 459.565 0.464 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(C)(C)O 1780339229 TXKBRLDBILJUQW-UZUQRXQVSA-N 475.546 0.994 30 20 JCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2)N1CCN(C)CC1 1780638978 UGHPGPDQAPKCQD-BSMQYFFDSA-N 459.591 0.848 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)CO3)C2)C1 1781050391 ILOVIXVPYSTLPY-FOIQADDNSA-N 457.474 0.721 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192596 MGIPYBMSAXXOST-OAQYLSRUSA-N 457.512 0.784 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C2 1783268251 MSVCVFGYMXZNSD-NDBKNAECSA-N 478.590 0.928 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1)CCO2 1783561599 BNWWSZZLZXBIOU-OHUGHZGNSA-N 499.520 0.066 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@H]2C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565697 QHAPXTSZCLMDQG-BXKMTCNYSA-N 491.541 0.178 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@]3(CCN(C(=O)[C@H](C)S)C3)C1)C2 1783895425 RRBNRKUCNIPRRZ-GXZWQRSESA-N 450.561 0.770 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)c4ccccc4C3=O)[C@H]2C1 1785060539 POKRDEAWHCLRII-UPDDZZLWSA-N 494.548 0.511 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C(=O)O)ncn4)[C@H]3C2)c1 1785645425 MMJHZZPLKSZWES-VHFSOBRXSA-N 465.466 0.962 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637382 QLSNOKFMHZMPAD-VDNWNZSNSA-N 450.532 0.281 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=N/O[C@H]5CCCCO5)[C@H]4C3)ccc21 1788659374 KNQPOKYSNPIOEA-SWVOKLHOSA-N 499.568 0.999 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)c4cccnc4)C[C@@H]32)c(C#N)c1 1789840213 QSABKCVOOHWIFK-VJBMBRPKSA-N 491.548 0.914 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C[C@@H]21 1789955532 QOULXUXKYXKIGV-LAQRGFTBSA-N 458.519 0.725 30 20 JCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)[C@H]2C1 1792308373 GCBMRLIJJAQLBD-BZSNNMDCSA-N 464.563 0.622 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1792793832 JGSWMESEFXBTRX-OOKASCOQSA-N 499.630 0.276 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)O2)N(C(=O)OC(C)(C)C)C1 1793419132 BRFIWSBSXUDAPZ-QEOTZNIISA-N 464.519 0.250 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)c2ccccc2C1=O 1793860583 FADBYGOENCBFMI-PZTGFMGMSA-N 455.511 0.853 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC 1795110045 OLPHVTOGDHIUBV-KYHPRHEASA-N 468.551 0.792 30 20 JCED Cn1c(=O)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccccc2)c2ccccc21 1795276042 XGNOCNYUKZECEI-NXKWYNOOSA-N 458.518 0.981 30 20 JCED COCCOCCOCCOCCOCCOCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N 1795463227 IVOUMTDEKUYQHI-KOUNCHBCSA-N 499.605 0.658 30 20 JCED CCc1c(Br)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)nn1C 1795953215 SHNAGJWMDFAHOB-CULMDFNYSA-N 453.293 0.036 30 20 JCED Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1798188842 OTZKFMJXRTUOEX-YWVIFJGQSA-N 456.469 0.924 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C(F)(F)F 1799353745 KTGPQFKGAAEQHY-LXTVHRRPSA-N 465.469 0.970 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCN3CCOCC3)C4)c2c1 1799883315 HTCHPYTUMOKSIB-UPHUGPLXSA-N 452.515 0.360 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1800992265 CCMUINNMHIEFBB-RVDAZCDBSA-N 463.575 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CNC(=O)c2cccnc2)[C@@H]1c1cccnc1 1802476320 HJYLCMLMLVVUFZ-AMQNAFGZSA-N 476.537 0.771 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@H](C)N2CCN(C)CC2)[C@@H]1c1cccnc1 1802487296 HCRMICCRESKMQQ-LUBSFUMXSA-N 468.602 0.582 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)c1 1807025598 JGOFJDGZQWCENF-UYAOXDASSA-N 457.427 0.998 30 20 JCED N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1807116614 WUQMUPVOJSKTCV-GPNFOEAVSA-N 457.535 0.456 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810566852 UVJNZJPEOOGZRZ-XOXCHOBHSA-N 475.546 0.768 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CNC(=S)NCC)[C@@H]1c1cccnc1 1812329660 VEQLMOLSGMJPOW-FLNVOPPSSA-N 458.588 0.430 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661472 SXRNCMZATCWPBJ-GXTWGEPZSA-N 478.527 0.779 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CN)CC2 1825873478 VAVFPKIXLSIOIM-SGMGOOAPSA-N 452.581 0.811 30 20 JCED C=CCOCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1828583272 BOZMHBMBUHHLNQ-DEOSSOPVSA-N 475.542 0.732 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNCP(=O)(O)O)C2)C1 1828805681 AHGFXPIOPDOKPG-NRFANRHFSA-N 493.457 0.077 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828990392 OLUWGCVCHMMYPB-RLWLMLJZSA-N 497.596 0.835 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829133242 JDVXHUAUACKNLW-BVAGGSTKSA-N 498.580 0.503 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCN2C(=O)OCc1ccccc1 1829226784 FKAPOCZUYIUMDE-YADARESESA-N 454.527 0.986 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=N)N)C2)C1 1829342808 OJLGBUOYLSWEPO-VFNWGFHPSA-N 462.576 0.240 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)n1ccccc1=O 1829903799 DDIDJCPDPUNSSA-DFBJGRDBSA-N 464.522 0.980 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)n1ccccc1=O 1829903802 DDIDJCPDPUNSSA-UQBPGWFLSA-N 464.522 0.980 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829906110 USNFRRAMSCZHAF-HYBUGGRVSA-N 488.541 0.400 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1830460437 KWHSVHMKZSBFCY-QHCPKHFHSA-N 467.530 0.280 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461673 VYTPOELTLRFSRW-ZJSXRUAMSA-N 472.542 0.098 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1831425966 XXJRCLMTQOTEIJ-SPLOXXLWSA-N 461.544 0.935 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1832000379 NOBUBORERJDQKE-AOMKIAJQSA-N 484.550 0.268 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3conc3C)CCO2)C1 1834341563 PWZBGQJVAPDCKG-WZONZLPQSA-N 476.530 0.970 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)=O)CCO2)C1 1834720234 OBPWQCFYWNZWBL-MBSDFSHPSA-N 465.547 0.729 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)=NO2)C1 1834766984 IUIUAUSMXIXPEU-PKTZIBPZSA-N 491.545 0.512 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1835361655 WGBPYLQHUCVPEU-HXUWFJFHSA-N 453.492 0.603 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(Cl)c4nncn4c3)CC2)CC1 1835706527 OAYRAVIBAHZLES-UHFFFAOYSA-N 458.906 0.656 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836255440 CCNCLWSAAYERFI-QFIPXVFZSA-N 480.587 0.901 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836633463 MBOLREMEFOUUOD-KRWDZBQOSA-N 453.536 0.212 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCN(C(=O)OC(C)(C)C)C3)CCO2 1836774846 MPNAVQDDEQUKBL-HSZRJFAPSA-N 473.530 0.337 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)no1 1837444054 XLLSPJNSEARKEQ-IGPUNGKJSA-N 476.534 0.240 30 20 JCED O=C1NCCn2nc(C(=O)N3CCC(OC4CCN(C(=O)C/N=C/c5ccco5)CC4)CC3)cc21 1837580971 KPTSRHIOCINXLE-MFKUBSTISA-N 482.541 0.951 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)CC3)CC2)c1 1837918829 XGNUNTTXMCPGSX-UHFFFAOYSA-N 464.486 0.543 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1)C(C)(C)S 1838322140 DZZHUUFROCAIOR-SZNDQCEHSA-N 499.590 0.741 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1838357635 JIRTXVUWJGLTNW-MSOLQXFVSA-N 455.552 0.623 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1838494350 XSMNWCMHBJLCAE-XLQQFJOYSA-N 480.525 0.400 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)cc1 1838950166 GBRCCPARFOYIQJ-JOCHJYFZSA-N 451.439 0.430 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)CCO2)C1 1839037845 ZXKRHPWIXWNPBH-QATBIIFWSA-N 475.517 0.498 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1839174854 ALRXRBDHDMCFEX-BJKOFHAPSA-N 487.509 0.687 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1839185370 XSASAODMSZFOHY-WAIKUNEKSA-N 493.561 0.178 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210472 QIACDINZYIQSRT-JPYJTQIMSA-N 467.563 0.522 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1839223145 NZZPDYXNYDFMQO-YCRPNKLZSA-N 478.575 0.899 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)c1ccc(O)cc1 1839665616 NDRXFVSCFQKLKN-QFQXNSOFSA-N 494.548 0.603 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839865504 FIDADRFVTIUDDW-SBUREZEXSA-N 480.562 0.274 30 20 JCED CC(C)C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840039703 DYOHUWOYTJWERF-UUOWRZLLSA-N 495.573 0.860 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(-c4ccccc4)ns3)C2)C1 1840041771 HUSRLHQPGFFFNI-NRFANRHFSA-N 456.480 0.363 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840142404 MEFSBVRNEOOSTH-LZCXECNNSA-N 488.581 0.897 30 20 JCED CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)OCC 1840281587 CXDZJSPCDSPESS-SUGVQOHVSA-N 471.551 0.761 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840568070 CTKHYMMQBWVGPN-YADARESESA-N 480.606 0.700 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1840819974 REGFTYXTDQIWFR-HXUWFJFHSA-N 485.415 0.499 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1845210303 YLFZVHSRYFWYIE-IRLDBZIGSA-N 486.569 0.712 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845808836 KKYFIOGETWDOBV-AWEZNQCLSA-N 452.508 0.202 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196437 ZFKGIJWEOOJDSC-MRXNPFEDSA-N 451.401 0.443 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CCNC(=O)COc1ccc3scnc3c1)C2 1846196831 UVRONNYATLBOFQ-UHFFFAOYSA-N 470.507 0.473 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)(n2ccnc2)C1 1846196865 XQWPRROIUSLHEK-DEOSSOPVSA-N 485.541 0.901 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1847069397 MBDPOAVNXNRBFW-DLBZAZTESA-N 494.589 0.992 30 20 JCED CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 486103136 MMJGXNCEAVZIAS-UHFFFAOYSA-N 469.566 0.657 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)cc2OC)c1=O 514644990 HNXODPNUWPFDLU-UHFFFAOYSA-N 486.594 0.288 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1cnn(CC)c1 523182219 AQZNQWVURIYXOU-UHFFFAOYSA-N 472.596 0.926 30 20 JCED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCCO3)c1=O 603989084 NRILJCYQKALXLU-UHFFFAOYSA-N 455.536 0.699 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(=O)N(C)C 604270166 QRESZLDKELNYSH-UHFFFAOYSA-N 462.959 0.307 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCNS(C)(=O)=O 608912204 HSQIDYHJMFLLFX-UHFFFAOYSA-N 464.525 0.095 30 20 JCED CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)c1C 728558005 XJSSQTWJHZWIPI-UHFFFAOYSA-N 483.638 0.977 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCS(C)(=O)=O 729673458 QGQDXIIYCRIODZ-UHFFFAOYSA-N 451.545 0.513 30 20 JCED COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 821798394 GWBJHNVQRTYGIF-AWEZNQCLSA-N 459.480 0.871 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 831630946 YYXDRCWADCNXPD-CVEARBPZSA-N 469.585 0.700 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)s3)c(=O)n2CCOC)CC1 838290547 VKHKYVUGBGBCMN-UHFFFAOYSA-N 467.016 0.938 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915369253 WITLFXGFQJIHQV-HNNXBMFYSA-N 475.527 0.722 30 20 JCED COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 915785053 DAQRBSAMPZSTNG-CQSZACIVSA-N 460.516 0.433 30 20 JCED N#C[C@@H](C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917013536 LYQQBUMSLJTATB-SFHVURJKSA-N 484.494 0.450 30 20 JCED CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918252562 CWOKOJIMSWXLCH-PLRJNAJWSA-N 478.619 0.580 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCOC 920394877 HJVKEEOBRDJKBK-UHFFFAOYSA-N 472.479 0.041 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)Cc3ccccc3Cl)CC2)c1=O 920835248 XKSJQJSJSMUYIX-UHFFFAOYSA-N 459.934 0.542 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1297788361 YUSHKIPFUUZOHQ-HNNXBMFYSA-N 450.521 0.534 30 20 JCED CN(C)S(=O)(=O)c1cccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 1450001909 ZZLPDGCTBRFVSX-UHFFFAOYSA-N 450.542 0.682 30 20 JCED CC(C)NC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1541702832 UDIIOEUYTDSFDV-NRFANRHFSA-N 466.590 0.896 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCc1cnn(C)c1 1692792114 CGQDIQARMHCYHV-CRAIPNDOSA-N 461.596 0.431 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(F)ccc1N1CCOCC1 1741946271 ZLQFPCOASKFZIQ-YJBOKZPZSA-N 493.565 0.641 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1748298121 ZZJRZSHJBLEWNJ-MRXNPFEDSA-N 452.562 0.237 30 20 JCED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCS(=O)(=O)c2ccccc2)CCO1 1771539316 TYCCPAVHUXGUNG-QGZVFWFLSA-N 458.544 0.993 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)c(C)n2n1 1777783244 YOENKEMAAUKPEE-VFJYRVFXSA-N 471.518 0.714 30 20 JCED Cn1c(=O)c(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nc2ccccc21 1777887619 FKRPPYBDZOFFEM-OYMHRHQWSA-N 483.525 0.906 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)c(C(F)(F)F)n1 1778000005 LCTZYRUJMBQTIL-QMTMVMCOSA-N 454.453 0.386 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(C#N)c[nH]2)C3)CC1 1778911989 RJOWIBOJNUIJDU-NFBKMPQASA-N 456.547 0.178 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1779066388 UEYAZBNUVXSWDB-XMMPIXPASA-N 451.527 0.800 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC5(O)CCCCC5)C4)C3)cc2C1 1779066903 HZKIOPMSUAHTPI-RUZDIDTESA-N 469.586 0.861 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)cc1C#N 1779095975 LNXJPYHEMWHEDM-LADGPHEKSA-N 472.542 0.440 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779235549 CZDBIKJHLIZRIQ-QHCPKHFHSA-N 460.531 0.626 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1cccnc1)C2 1779420135 OJLYWXUDYSKUOR-OVYMBQIFSA-N 487.557 0.854 30 20 JCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1)N1CCN(C)CC1 1779446030 QIERZPZCRGLXOJ-YZJJBPHESA-N 459.591 0.848 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn(C)c(C)c3Br)C2)C1 1780364579 WFTAQSGBZSHYAN-IFXJQAMLSA-N 453.337 0.973 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1781294821 JZZVFOOQSPXDQJ-HYFFOGBASA-N 452.552 0.810 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781339979 KMCRDMRCXLOJKO-ZSAYXXNMSA-N 498.577 0.621 30 20 JCED COC(=O)C1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CC1 1781812089 OOVGHRTUVVDJEO-HSOAJUISSA-N 451.520 0.983 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)C2 1782011299 XQLCYCZVEGZZTI-KBMIEXCESA-N 496.495 0.646 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015620 STYRBZDZYPFBKT-SMGXNKOPSA-N 493.557 0.349 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C(N)=O)cc2)C1 1782864714 OSCBJTAPQRIKCY-KTTXHFHUSA-N 454.527 0.771 30 20 JCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2)C(F)(F)F 1783202271 FYBDXLGBUBPJEZ-BLVKFPJESA-N 456.421 0.941 30 20 JCED CCCN1CCN(c2ccc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cc2)CC1 1783563535 UAUZEVPQWOTZIZ-RUZDIDTESA-N 468.554 0.750 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783614577 ARDHRNICZMEXEQ-ZHSNQQFMSA-N 482.578 0.988 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1783787583 QSVAQXWPLCBNPL-KCYKTTMJSA-N 497.589 0.846 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2)c1ccc(O)cc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c1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccccc4=O)[C@H]3C2)c(C#N)c1 1787016231 INDVVRNRTKSQTJ-NYVOZVTQSA-N 464.522 0.951 30 20 JCED CCOc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)cn1 1788656136 IXIBWMJENGSRIZ-GGDPZUHOSA-N 461.519 0.998 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1789949392 MNFJLKZTRLCUFJ-ONTIZHBOSA-N 492.573 0.566 30 20 JCED COC(=O)[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21)NC(=O)OC(C)(C)C 1791194809 FHJXYEYEZQCFQD-GVRJEKJASA-N 473.592 0.741 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CN3CCSCC3)c2c1 1792466881 AVXCTMWCCRLRDH-CWPLJXCYSA-N 454.556 0.687 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3nc(C)sc3n1)C2 1792484161 DNHCNVHMCSBALU-CXMDPZGFSA-N 458.544 0.090 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1793595564 RLNHHCSQWBTVHR-BMQTXXJKSA-N 474.558 0.907 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1CCOC 1796588287 IDIVXDALGFKTDV-DMUMMCEESA-N 489.573 0.649 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1799389430 LLRQNWVUOGXRNA-CVFMPKEZSA-N 484.553 0.992 30 20 JCED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)N2CCCC2)C3)cc1 1799642394 RXLSFZZPULHMRD-CEQLMSFQSA-N 460.556 0.381 30 20 JCED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)c(C#N)c1 1807049047 WJHYDKWVMQCZLL-XZOYJPPVSA-N 478.553 0.803 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807147446 KJQHEAVHKHGQQW-MJGOQNOKSA-N 459.620 0.853 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1810337910 PFVOMDVCHPBOMO-PCCBWWKXSA-N 487.557 0.864 30 20 JCED O=C(CNCP(=O)(O)O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1817235262 GDYSXPGDJPJKSQ-DIFHSRHFSA-N 472.439 0.656 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)CNC(N)=O)sc2C1 1828329031 FVBFKEZQTAJTGM-WCQYABFASA-N 464.548 0.640 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC)NC(N)=O)CCN2C(=O)OCc1ccccc1 1829044548 HFPJZWYIYFPSRD-FDDCHVKYSA-N 455.515 0.519 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1829266286 RREJTQCUJPVWND-QFQXNSOFSA-N 481.597 0.708 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310324 UHPHTOGMHIJGHP-TXBYWVTISA-N 474.583 0.893 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Oc3ccccn3)C2)C1 1829773404 IOODFRGBTYJVET-PWPXAWQVSA-N 458.515 0.164 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@@]3(C1)CN(C(=O)C(C)(C)C#N)CCO3)C2 1830061731 UNXVCUSOXRIRRF-BXKMTCNYSA-N 487.557 0.628 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)CCO2 1830742596 JBZJIKIAKPXSTM-DNYPJJFXSA-N 494.589 0.462 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)C2)C1 1831387086 DJFXNNFYLGDMLX-GOHWNWGWSA-N 499.564 0.543 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1831393625 ZCRXQWZHTZRKDN-YADARESESA-N 472.542 0.027 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1831396950 MVNWFYYNNBNQSB-SPLOXXLWSA-N 461.906 0.720 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1831425614 BLVAAVUFMWGBOW-AOMKIAJQSA-N 476.555 0.726 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831692156 DTBGRZNHBNVSQQ-DEOSSOPVSA-N 463.575 0.304 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1831998953 VGQLHYAIZKJQDQ-UUOWRZLLSA-N 494.589 0.535 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832724502 UQMRGUOHJXLYTH-NQIIRXRSSA-N 450.561 0.222 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833470678 GMUTUEVDQMDTHM-UHFFFAOYSA-N 484.663 0.271 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833575132 QWLVGRQKMCEUME-QHCPKHFHSA-N 485.472 0.803 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833652179 DHXFLUXDEAGCEV-UCYCTBOASA-N 498.540 0.866 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)nc3O)CC2)CC1 1835072467 RJAVDGGMNHOWDP-UHFFFAOYSA-N 461.519 0.582 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835351444 VZWKFMCATUFICN-FOIQADDNSA-N 456.586 0.407 30 20 JCED N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccccn1 1835701627 KYXVTMIZVAQCDK-IRLSLHJBSA-N 461.519 0.067 30 20 JCED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)C4=NNC(=O)C4)CC3)CC2)ccc1F 1835702276 MHHODLVSZIJMAT-UHFFFAOYSA-N 454.506 0.687 30 20 JCED N=C1NCCN1CC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750287 RODMSKFNBDJFLJ-UHFFFAOYSA-N 458.607 0.097 30 20 JCED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)C2)n1 1836069328 JXSPWGQTCWGQII-FQEVSTJZSA-N 494.430 0.976 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nc(Br)nn3c1)CCO2 1836256241 HKNNFUYVOVZCHR-GOSISDBHSA-N 463.292 0.475 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1836470182 JDBZVIAHDGPCBR-FDDCHVKYSA-N 461.515 0.496 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CSCC(=O)O)CC2)CC1 1836560669 HYKQSDILZGTZRC-UHFFFAOYSA-N 453.609 0.658 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836763937 DVYAMIXBVXDGJR-DEOSSOPVSA-N 462.591 0.375 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1836773487 ZTBJQFBHNJCREJ-HSZRJFAPSA-N 473.530 0.337 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1CNc3ccccc3O1)CCO2 1837348706 PQRMNVZOVPARGK-YTRVONPVSA-N 484.553 0.564 30 20 JCED NC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)c1ccccc1 1837527660 RXVLUZFRAATARU-CDKJSTAOSA-N 474.558 0.714 30 20 JCED Nc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cs1 1837527816 XEWYRKMHGNGRQA-FLSHMKOJSA-N 453.521 0.324 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1837529733 XNBYVJOSQGBKBX-QSFMFHSFSA-N 464.563 0.312 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1)c1ccccc1 1837613003 ROALUOXQPWXBDN-CZSZKKDXSA-N 470.570 0.233 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cc(Cl)ccn1)CCO2 1837649508 GIBVHXIEQIONLD-LJBSOROUSA-N 478.933 0.429 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837881500 ZLPUNHFEQXCHML-GAJHUEQPSA-N 473.530 0.463 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)ccc1F 1838337783 DQDYHOOAHFBEQR-HSZRJFAPSA-N 454.458 0.643 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1838400599 RZNVXIARHWWABF-OAQYLSRUSA-N 496.557 0.989 30 20 JCED O=C(C/N=C/c1ccco1)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838401983 FLLKJHCMBHDUHS-DIVQNALZSA-N 462.547 0.348 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838424950 ACHNHENSBJWSKT-REWVYZQPSA-N 472.502 0.328 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4C)C3)C2)c1 1838584822 IITHNKGRVSHKPL-HSZRJFAPSA-N 453.499 0.842 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774021 JUBZCTCRMDIYFP-SFHVURJKSA-N 491.541 0.999 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839422935 SKIQGSXYSMWAML-FQEVSTJZSA-N 469.947 0.716 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452731 SQXWECTVRDPYEC-AVRDEDQJSA-N 460.487 0.001 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc(C(F)(F)F)c1)CCO2 1839792265 IDXKSAAISMGCSP-FQEVSTJZSA-N 454.401 0.792 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CN(C)C1)CCO2)c1ccc(O)cc1 1840572719 NQQQEPOMAZKJGT-NLFFAJNJSA-N 455.555 0.907 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840715378 YZHOUOUPXRTGHS-JBUDQFAYSA-N 472.542 0.535 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(cnn4C)c3OCC)C2)C1 1840841789 VRBPSYTUZNKIIG-HSZRJFAPSA-N 455.515 0.850 30 20 JCED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1)c1ccc(O)cc1 1843235903 HRSJFDKLJOQLAC-INIZCTEOSA-N 461.482 0.532 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847746439 WZGYLLNRJCMBKN-SQNIBIBYSA-N 467.588 0.930 30 20 JCED C=CCN(C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 498018134 ASEDUSNPNBGRQP-KRWDZBQOSA-N 472.585 0.460 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccccc2OC)CC1 502008735 YNVVUMNBEDITMV-UHFFFAOYSA-N 478.578 0.308 30 20 JCED C=CCNC(=O)CN1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(OC)cc2)CC1 515512818 PSNKUPOFZZGHLH-UHFFFAOYSA-N 452.577 0.542 30 20 JCED C[C@H](c1ccccc1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccn2)c1=O 515662924 QDQMZKYKWQBCOU-LJQANCHMSA-N 489.601 0.866 30 20 JCED N#CCCSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 518676720 NSMBYOHLQUUWLP-UHFFFAOYSA-N 459.528 0.160 30 20 JCED N#Cc1cnn(-c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)cc2)c1N 608925147 SHVYRQBKDPXLST-UHFFFAOYSA-N 465.495 0.699 30 20 JCED CNS(=O)(=O)c1cccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 608967457 QJZAAODPGQDKPV-AWEZNQCLSA-N 450.542 0.964 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577046 HGUAPWZSMSLZPX-UHFFFAOYSA-N 494.577 0.215 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCS(C)(=O)=O 729674483 IFIIXIWMWFOAEJ-UHFFFAOYSA-N 483.518 0.361 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCS(C)(=O)=O 729675285 ZDAVWOVNCVNUOE-UHFFFAOYSA-N 499.561 0.831 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N1CCSCC1 730551203 VGJPYUWTFFEGQB-MRXNPFEDSA-N 488.657 0.779 30 20 JCED CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 749170886 OOPPHPCOUVSYCM-UHFFFAOYSA-N 491.547 0.652 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 749606621 SEKAHCJLIZMVFM-GOSISDBHSA-N 488.566 0.725 30 20 JCED CCS(=O)(=O)N1CCC(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 915380546 HPFLOQSLNYSSBY-UHFFFAOYSA-N 453.521 0.108 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1Cl 1135633402 UUMUSIFIDJPREH-WBVHZDCISA-N 450.948 0.896 30 20 JCED COc1ccccc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1300590227 YWXHTQCIPKZADL-PKOBYXMFSA-N 476.559 0.591 30 20 JCED COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1300659377 XSYWJUBGFLFZAY-HNNXBMFYSA-N 450.521 0.486 30 20 JCED COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1315118275 MRODVLZSVSAEOG-UHFFFAOYSA-N 453.503 0.987 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1503833498 LDBNNJKXVARLMV-CALCHBBNSA-N 461.592 0.911 30 20 JCED COc1ccncc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1504461700 YNFUGPJTYSFGEY-VQIMIIECSA-N 465.511 0.505 30 20 JCED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cn1 1554929672 FOBWTQFRWUKCQS-YOEHRIQHSA-N 460.564 0.517 30 20 JCED COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2)cc1 1686399680 XFAKOHYBCBAVIX-UHFFFAOYSA-N 456.528 0.867 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1692574061 XOCDNOULXWTFEU-NRFANRHFSA-N 488.549 0.962 30 20 JCED CCO[C@@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCNS(C)(=O)=O)CCOC1 1710485001 SSPHALCQPKHPNF-UGKGYDQZSA-N 490.586 0.929 30 20 JCED CNC(=O)c1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c1 1711332688 PVXHDSOHEPOFOT-UTKZUKDTSA-N 491.549 0.461 30 20 JCED N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCCS2(=O)=O)CCO1 1712883197 MAPGNOWHYNIAGD-CYBMUJFWSA-N 470.353 0.800 30 20 JCED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722476941 MAYNRWKTXWKPSS-ZDUSSCGKSA-N 461.386 0.941 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC2CC2)C1 1724010427 JGDAXMRSWGIBBK-JXFKEZNVSA-N 465.580 0.267 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2C1 1778369314 SVGPENUVBNYMLE-QHCPKHFHSA-N 487.513 0.165 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccc(Cl)cc1)C2)[C@H](O)N1CCOCC1 1779409963 JJKPDIZYXKJDMW-FGCOXFRFSA-N 475.973 0.856 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N2CCN(C)CC2)C1 1780640780 JQBWNDCYYBBCHX-GLHSZLCASA-N 451.612 0.937 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1782804163 UMCYOZBUEPNHHC-DNQXCXABSA-N 456.543 0.995 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)cc1C#N 1783261510 BATIDVAURMXMDO-XMMPIXPASA-N 474.558 0.076 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](CC)NC(N)=O)C2 1783268400 JLGCJMHXOWFAMF-FGDDKPPBSA-N 493.605 0.864 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1)C(C)(C)S 1783777362 BLAWXZWDKZIRFF-OPAMFIHVSA-N 495.602 0.815 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]cc3I)CCO2)C1 1783894880 ZXYYQXYUXUVQFT-LKFCYVNXSA-N 450.302 0.776 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783901700 UPXGOHFQUWGISU-GXZWQRSESA-N 473.592 0.981 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1783910613 CPOMJSSWVXHNDQ-FDDCHVKYSA-N 499.630 0.948 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1785574605 NQGPSKLWRAQKLA-WZONZLPQSA-N 459.547 0.709 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)c(O)n1 1785774179 SVLTWXALAZBLDV-SNRMKQJTSA-N 456.547 0.339 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1 1787392472 GVWZFINOYBLEDJ-QUSNUVHPSA-N 459.609 0.806 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(=O)(=O)N4CCCC4)[C@H]3C2)cc1 1787506016 XLQOETGJKLQDMQ-ACRUOGEOSA-N 474.583 0.772 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1788470126 XJFJZZJIUOXVGI-ZVVDCOBXSA-N 458.515 0.535 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1788570260 PIPXVPDKDWSTKY-JCECYMMASA-N 469.579 0.425 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1788638932 UNEKXPSBFOFOFZ-IHPCNDPISA-N 454.527 0.698 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nccnc4C(N)=O)[C@H]3C2)c1 1789090834 PAIUWNRBEOUWBV-FHWLQOOXSA-N 462.510 0.673 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CCC4)C[C@@H]32)C1 1789809333 HMWKZFUAYPRPFY-FKSLSLAPSA-N 476.574 0.888 30 20 JCED N#Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)cc1 1792640487 WYHUPBXKPPSTMP-HGJUEJDCSA-N 495.605 0.919 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)c2C1 1795081501 GXMVKWWOKKXXFX-CCWDJLKJSA-N 458.519 0.751 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)n[nH]2)CC1 1795691700 GHIRETRTXALQQX-JLVBRIDZSA-N 488.545 0.859 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1799320739 NLNKPDKGVRXHDA-FSNPWBFUSA-N 464.563 0.714 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cnnn2)C3)ccc1Br 1799708466 WRJPVYPQHQOHSR-XOIINTDNSA-N 460.292 0.211 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1)n1cnnn1 1799710986 QAMFAXJIVNRAQT-RMIITELYSA-N 474.319 0.772 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCN1C)C2 1802124521 DKWXFJABHAUNFC-WPVAHCMFSA-N 462.591 0.977 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)[C@@H](C)CC)C2 1802126007 AANZQANOYMSXLG-UESMBRTFSA-N 450.580 0.866 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O 1804477847 CKNTUERUYOHVHC-FZKCQIBNSA-N 496.565 0.098 30 20 JCED Nc1n[nH]c(CCC(=O)N2CC[C@H](CNC(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)n1 1810292253 QVFHPWNCWHHNTE-VCXCEVIXSA-N 453.551 0.892 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1)C2 1812439024 UMMGIQDGGWZIQM-STSQHVNTSA-N 493.520 0.811 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818896944 PCYPGAGSYMOFSY-INIZCTEOSA-N 477.587 0.729 30 20 JCED NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1821036804 NKHZXINNGWBEER-QNYVVPKKSA-N 473.515 0.787 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1826933026 KHVDLGNWQFWQPL-VRADJDKOSA-N 451.568 0.728 30 20 JCED CC[C@H](C)[C@@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828976145 MPVFUFNWCCKWOT-FKRCVWNDSA-N 484.553 0.900 30 20 JCED CN[C@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3(C#N)CC3)C2)C1)C(=O)O 1828990784 VLDCPBZQPJFPGC-KBMIEXCESA-N 497.552 0.805 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C(C)=O)CC1)CCN2C(=O)OCc1ccccc1 1829110817 YGWJMRONWXLXGX-AREMUKBSSA-N 495.580 0.236 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCN2C(=O)OCc1ccccc1 1829243419 AQMJEWIRQMQRHH-XMMPIXPASA-N 479.493 0.646 30 20 JCED Nc1nc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)cs1 1829332165 AQLBSDGOMHUZQV-HSZRJFAPSA-N 497.533 0.879 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829373791 QRVCPIBCHVCJTJ-CLOONOSVSA-N 496.520 0.053 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)C(C)C)CCO2 1830877735 NALHDFLZJHMCOR-BSRJHKFKSA-N 467.563 0.376 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1C 1830952826 DGLATWSBFJVZSU-ZFCBIQLQSA-N 463.535 0.256 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)CCO2)C1 1831141231 FDHUVRKPKNFDRV-YCRPNKLZSA-N 455.577 0.938 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209266 UMWMTRDLRBSTLR-JPYJTQIMSA-N 465.547 0.132 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832201890 NYOGXEQYRPTPMQ-HSZRJFAPSA-N 469.546 0.170 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2)C1 1832453394 YVIDPQBQJUKPMF-HTAPYJJXSA-N 487.619 0.902 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CNC(=O)c2cccnc2)CCO3)cc1 1832721412 ADMVGSFUXURUGU-AREMUKBSSA-N 491.548 0.772 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)nn(-c4ccccc4)c3O)CCO2)C1 1833411798 RIYMSPUFDAUKRQ-UQBPGWFLSA-N 482.537 0.995 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1F 1833738211 ZCHXCUWZFIOHPO-IIHIVLJSSA-N 450.515 0.653 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cn1 1835096800 LRRFRHVLXRJZPE-DEOSSOPVSA-N 450.495 0.997 30 20 JCED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835630233 WAOFVKHPHHYEGC-QFIPXVFZSA-N 455.471 0.586 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1835674333 IQZPKRUBXYHAIN-OAQYLSRUSA-N 462.576 0.307 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680807 LTRJCULNCBALOU-AVRDEDQJSA-N 451.568 0.029 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1835844473 VQYDNBXJXVPSMF-UZLBHIALSA-N 453.584 0.510 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836075665 YTWKWNVDPBRBEY-SBUREZEXSA-N 491.545 0.294 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)[C@H](C1CCOCC1)C(=O)N3)CCO2 1836783122 NXBNUPMRCJCWSI-DHLKQENFSA-N 467.522 0.852 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1837392354 DJVOOZJZLWUBSD-IUKKYPGJSA-N 453.580 0.567 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486693 MLEAYUOCBAMLTH-XMMPIXPASA-N 463.575 0.448 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1 1837530953 ADUCUBSFLWFAFU-WCNTUGILSA-N 463.491 0.084 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531081 BZVMLCINQNWUKA-FIRSQWHBSA-N 475.546 0.867 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5ncnn5c4)C3)C2)c1 1838582138 CMVABRLEEJRAJJ-XMMPIXPASA-N 476.493 0.993 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)ccc1F 1838640635 MHCGBTBANKAPQG-QFIPXVFZSA-N 455.446 0.093 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839082278 GNOPWMSSSMRAGE-FIYBTEJISA-N 472.542 0.556 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1839101053 HTTKOUFTVMHANV-CJFMBICVSA-N 469.586 0.193 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ncc[nH]4)C3)C2)c(C#N)c1 1839133577 XGPKHOFIIYHILR-DEOSSOPVSA-N 467.526 0.922 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1839185047 LWOOSXMBRVXWOE-GAJHUEQPSA-N 492.577 0.745 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204354 OHEVAYBSJONXCM-AVYPCKFXSA-N 461.581 0.037 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)c1 1839452237 PUQODCOKHSMKNL-DHLKQENFSA-N 463.538 0.902 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](N)c5ccccn5)C4)C3)c2c1 1839488076 VXWGCFXYHBDZSE-RDPSFJRHSA-N 475.509 0.600 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840017854 IYZXGWMBYMYAIU-FQCWUYQVSA-N 473.570 0.969 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840077325 MOOBUEOXBUWHQZ-DGEAWOGYSA-N 481.546 0.225 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1840162004 JGFKOIBENYKDDM-CMJOXMDJSA-N 485.566 0.885 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1840163201 FIBYVCWFKOKTCV-UYOCQKMUSA-N 463.600 0.397 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840796734 MYCFTQRGSUWYKA-WZONZLPQSA-N 482.578 0.438 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840799222 ORSJQNWAVVYKRQ-DVECYGJZSA-N 457.527 0.301 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840908602 COFQMEYRSJBZLJ-QRQCRPRQSA-N 477.518 0.102 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC)C2)C1 1840908845 IQWPFVWNEOGLFY-BSRJHKFKSA-N 466.579 0.357 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)c1 1845874002 HPDPNFIDLCTVRQ-RBUKOAKNSA-N 497.577 0.564 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N1CCCC13CN(C(=O)CCC#N)C3)CCS2(=O)=O 1846141286 JTYJVNZGYWAFJU-MRXNPFEDSA-N 480.587 0.918 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 16200335 TZSGSUZANPYOIN-UHFFFAOYSA-N 463.537 0.871 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC(=O)NCCC#N)CC2)c([N+](=O)[O-])c1 27352918 VXFKCLSFKOXZNJ-UHFFFAOYSA-N 452.537 0.777 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1 108657657 LQEXVUALBVARKV-UHFFFAOYSA-N 487.563 0.621 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4cccn4)nc3)CC2)cc1 516013737 CSNTZQIOSNXMBG-UHFFFAOYSA-N 465.495 0.611 30 20 JCED CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 518068628 XJNCGVZWMCCJRB-UHFFFAOYSA-N 469.523 0.780 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)cc1 522075317 JRXZZHQRZATCFF-UHFFFAOYSA-N 481.505 0.945 30 20 JCED Cc1ccc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1S(=O)(=O)NCC#N 524577739 UBNLCOBFSVBTPW-UHFFFAOYSA-N 470.555 0.661 30 20 JCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1 603852183 GAAKFVKGUGNHAZ-UHFFFAOYSA-N 458.563 0.718 30 20 JCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)cn2)c1 604206323 AIVUPEIABAPQGW-UHFFFAOYSA-N 478.509 0.687 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)c1 604270357 NIZYTNBPIHANGP-UHFFFAOYSA-N 468.579 0.959 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CC(=O)N(C)C 604270385 XOYHCCLSVHQKMZ-UHFFFAOYSA-N 488.566 0.053 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828665 GCCHGYJIHQGWBG-CYBMUJFWSA-N 498.511 0.930 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(C)(C)CN(C)C 608912553 YWXDUEKOHFBPKI-UHFFFAOYSA-N 484.622 0.698 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCS(C)(=O)=O 729672878 MOMVKMPZAZAPBU-UHFFFAOYSA-N 451.545 0.431 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCS(C)(=O)=O 729673613 XQFOJEZQQSTUMM-UHFFFAOYSA-N 477.608 0.227 30 20 JCED CCn1c(=O)c2ccccc2n2c(COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)nnc12 801710525 QBJDLGLNXPAUEZ-UHFFFAOYSA-N 466.479 0.846 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1 849196054 SOLAZUVADUJGJF-OALUTQOASA-N 460.600 0.860 30 20 JCED C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)Nc1ccccc1C#N 912685452 KIDRQRWWHPAECD-AWEZNQCLSA-N 456.480 0.863 30 20 JCED CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 913243055 PNASEOAQXRQNLK-ZBFHGGJFSA-N 471.557 0.194 30 20 JCED C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918259953 KHIOPQJNETYPSR-CVIUTVQRSA-N 451.549 0.275 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 918597830 OKIWBXQTZOJWFJ-SFHVURJKSA-N 485.566 0.671 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1303836369 KYBUVGBZCCRPDY-CRAIPNDOSA-N 457.576 0.566 30 20 JCED CN(C)C(=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1314628546 OYDZKXLXAUTMFR-IIBYNOLFSA-N 497.597 0.702 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(C)(=O)=O 1513398937 UUTQCYWWHFVKGU-UHFFFAOYSA-N 474.591 0.834 30 20 JCED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1516829601 ZIFUDZLCYJZWBI-YOEHRIQHSA-N 462.573 0.294 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 1589404930 OAEYNIVSGSRSGR-STQMWFEESA-N 450.359 0.745 30 20 JCED CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1618297619 RGBYBJMUQOPPQV-HSZRJFAPSA-N 488.614 0.913 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1625790900 VCLHOXWCESEZKA-XIRDDKMYSA-N 455.558 0.420 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CCO1 1748211051 XYBVHNUASIEMCC-IBGZPJMESA-N 453.547 0.879 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1765633247 JRGBMZWRQLZVQO-HSZRJFAPSA-N 453.547 0.880 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1779019160 DGXSURYHIKRFEY-XWRADEMYSA-N 458.544 0.671 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781051791 TWJMCSPKDFFYKW-LQXPYONDSA-N 464.563 0.009 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782671154 BXIGBZHSPMTLFR-MWTRTKDXSA-N 491.545 0.860 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](C)S)CCO4)c2n1 1782885727 KLXAAQUKFFAOSJ-YEJXKQKISA-N 491.574 0.275 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1783643668 XFQRTRAQPANPQA-USCONSEESA-N 450.536 0.880 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1783686290 KXQKUPQEIARYFT-KNQAVFIVSA-N 473.567 0.313 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785344529 HQOGFGJWVOZQBJ-CYFREDJKSA-N 478.590 0.407 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785346089 ZMIJNKCFHGTPEP-CYFREDJKSA-N 480.606 0.960 30 20 JCED Cc1cn(CC(=O)N2CC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)c(=O)nc1O 1785351386 KVVMJMMEDLOHBP-DEOSSOPVSA-N 465.510 0.592 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1792145787 XKLIYFRJXWRPEL-ZJOUEHCJSA-N 458.584 0.966 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2cccc(C#N)c2)CC1 1792832058 JZMYKQQCEPBMJQ-IUTQVRIDSA-N 488.610 0.752 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(=O)(=O)CC)c1ccc(O)cc1 1793318335 OSEIMOHAFCKUFX-NXOMJONSSA-N 491.610 0.807 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(Cc3ccccn3)CC1)C2 1793340223 BHNXHBFISJBJDH-DXKRWKNPSA-N 454.571 0.922 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(OC)cn2)c(C#N)c1 1794950306 VUVRDMIIWXTUCD-FAQVEIGNSA-N 451.483 0.811 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSC(=N)N)c(C(F)(F)F)n1 1795505066 ZKVDYDQTHDVBPG-WDAIWFPHSA-N 456.450 0.802 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796074522 PUVFLWCQYBGUAS-RMFSNUHRSA-N 465.572 0.812 30 20 JCED CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCOC1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1796452355 WTJFOSAGPAYLEP-QLCXLMDBSA-N 450.536 0.810 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783188 HUNPDRFTZOLITQ-DMUMMCEESA-N 479.574 0.160 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccccc1C(=O)OCCO 1798565372 BAZSJQRGCVJLQW-QKSGZKCUSA-N 489.525 0.568 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 1798694297 YZKOSTMTZSNCOE-CTRAYCPCSA-N 473.530 0.317 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2 1799332194 XRWYHJZJDDDWBN-RCLSDMTESA-N 482.541 0.889 30 20 JCED CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779169 WXEKFUDBVYABOY-JSSUQAMFSA-N 475.542 0.842 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)O)C2 1802282574 JYURMEBSTYUJAI-KSWRQPAISA-N 468.551 0.811 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1802498751 PVFVJBPIOSXHNW-OTVNPASYSA-N 480.525 0.217 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1803175850 AJRIDSJPFMYICA-WCAVRKLYSA-N 498.561 0.851 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)cc1 1804184335 XBEQKHKPOWZBBY-CVDCTZTESA-N 460.494 0.754 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1807149540 IELSKBCSJLJUIA-UWJYYQICSA-N 452.515 0.294 30 20 JCED C=CCOCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816668674 PEHHIPBQSDQXMM-NSHDSACASA-N 458.504 0.478 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1820894232 JTLKHJXGOIXXJQ-CQSZACIVSA-N 469.462 0.351 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](O)N2CCOCC2)CC3)c1 1821387925 KMVIRLJXEVVLOK-VFNWGFHPSA-N 471.539 0.900 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822622428 PTRKKUDVSPBZMU-UGQVUOCMSA-N 477.587 0.695 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCC([C@H]3CCCCN3C(=O)C#CC3(O)CCCCC3)CC2)N1 1828945342 REASUJIYSZZJPE-RBUKOAKNSA-N 458.559 0.903 30 20 JCED C#CCCC(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828989767 IEAWZMRNKLFHOT-NLFFAJNJSA-N 483.569 0.445 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCN2C(=O)OCc1ccccc1 1829169355 BSBXNGQHDYIOEN-DEOSSOPVSA-N 493.476 0.336 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330467 HLZRKFPPEOONEN-OSPHWJPCSA-N 484.509 0.038 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCN(C)CC3)cc1)CCO2 1829697132 ZYDUYBBANDAHBD-RUZDIDTESA-N 454.571 0.922 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1829764589 ORGQFCXTURZURO-PHWUDJAYSA-N 471.510 0.141 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)C(=O)O 1830467079 SFBASXILOZFTIK-AVRDEDQJSA-N 463.918 0.211 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1830469007 YYOZHLXWAXUTDJ-JOCHJYFZSA-N 472.885 0.663 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1830526316 UEZVUZJEJRJGJK-JXQFQVJHSA-N 481.590 0.911 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CC(=O)CN2C(=O)OC(C)(C)C)CCO3)C1 1830886071 QWDJYBZLHDBFAE-CYFREDJKSA-N 477.558 0.988 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 1831397034 OGEAPRQRRISKSL-JPYJTQIMSA-N 459.499 0.940 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1831431820 GZLKLTVWRKVZHE-QMHKHESXSA-N 458.515 0.940 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1c(F)ccc(F)c1F)CCO2 1832071300 CXBVKIPLRQUFAS-IYZQMXKPSA-N 481.471 0.961 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)CC2)CC1 1833467305 ORJILQYKDMEFAC-DXIQSLLYSA-N 458.603 0.997 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c(O)n1 1833700497 ZJVYFOAGGYTAJI-OSPHWJPCSA-N 472.542 0.502 30 20 JCED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1)C(=O)O 1834742823 ZEVDIUSUJXKHAE-FQEVSTJZSA-N 481.557 0.682 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675048 IYRRRXCDUFLVEX-QFIPXVFZSA-N 452.552 0.456 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)n1 1835677976 SDGVCGMKZHAGCW-DEOSSOPVSA-N 488.589 0.025 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731958 WSLBMNHCNSBIAD-WLXKGNRNSA-N 463.627 0.737 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1836697667 RATZILFNNAWZQP-MHECFPHRSA-N 493.557 0.568 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1836844437 AULIKYKARDQCKB-KRWDZBQOSA-N 487.619 0.822 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSCc3[nH]cnc3C)CCO2)C1 1837327948 BHJQUPMOUDISKN-UTKZUKDTSA-N 450.561 0.446 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(-c3ccccc3)s1)CCO2 1838186522 MDGAWTCRGMZHJE-QFIPXVFZSA-N 455.492 0.968 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(OC)nn2)CCO3)c(C#N)c1 1838352247 FWYOGFCWSABPSR-XMMPIXPASA-N 481.509 0.678 30 20 JCED COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1838514430 DVYZPZKIDITFRD-LVJFVWMNSA-N 464.519 0.760 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5ncccc5n4)C3)C2)c1 1838581990 YWWQVACDLDEUJG-DEOSSOPVSA-N 476.493 0.993 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncnn4C)C3)C2)c(C#N)c1 1839131786 ZHPHPDJOJZIPDM-QFIPXVFZSA-N 454.487 0.008 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)cn1 1839224750 OFPDGUUWZDTFFU-KSFYIVLOSA-N 462.503 0.739 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1840181212 STAFQMZDFPEBLC-FGZHOGPDSA-N 479.917 0.897 30 20 JCED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn1 1840466131 NYHJDWWPIFRMLC-HSZRJFAPSA-N 463.498 0.481 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840843443 QADHJMRGNFLIGY-HTAPYJJXSA-N 453.536 0.132 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1840906929 LVTSZAJALPMLJK-JPYJTQIMSA-N 473.530 0.463 30 20 JCED N#CC1(C(=O)N2CCCC23CN(C(=O)c2cccc(S(=O)(=O)N4CCOCC4)c2)C3)CC1 1842809589 ZATSYXXOOKTPKF-UHFFFAOYSA-N 458.540 0.828 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cc2cnc[nH]2)C1 1843344038 FQUIPAORSLJPPX-QGZVFWFLSA-N 490.561 0.961 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC(C)=O)C2 1844215612 ZXORWGOXPBIKPL-NVXWUHKLSA-N 495.577 0.520 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2)C(C)(C)S 1846301110 UPUQKPCFZINFGD-QWHCGFSZSA-N 456.565 0.900 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C1 1846304103 XTEMBQMTWKXTLX-HLRDLLSLSA-N 478.546 0.505 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1847262351 QQIBESKODTVBBG-PMVPKKGTSA-N 452.555 0.682 30 20 JCED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 480152389 JWMOLFUWQPKBHP-UHFFFAOYSA-N 485.566 0.570 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 499338698 WAVIYMADUYKNNR-UHFFFAOYSA-N 456.590 0.386 30 20 JCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)cc1 511312138 DMVNWNVXYAIXMZ-UHFFFAOYSA-N 461.526 0.562 30 20 JCED CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 516049525 JILOPYSBLOQPRV-UHFFFAOYSA-N 490.563 0.823 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCCOC)cc2)c1=O 522075968 DYJPBGCCCQUKGH-UHFFFAOYSA-N 487.578 0.333 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)CC1 728589660 JWWAHWKRFHKMFX-UHFFFAOYSA-N 491.035 0.426 30 20 JCED COc1ccc(Br)cc1C=c1sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c1=O 729672988 BFMXANFOCZGDOM-UHFFFAOYSA-N 468.354 0.752 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CCc1nc(O)c2cnn(C)c2n1 744990493 JMKAVWUYDWRXAA-UHFFFAOYSA-N 491.464 0.925 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 761130222 PENPCJYEDYEXPA-UHFFFAOYSA-N 485.522 0.756 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1 853720551 BXYBPZQQTXBIIC-UHFFFAOYSA-N 484.534 0.932 30 20 JCED C#CCN1CCN(CN2C(=S)N(CCCC)[C@H]3C=CC(S(=O)(=O)N4CCOCC4)=C[C@@H]32)CC1 914566005 KWGLLOOLLUDSQI-VXKWHMMOSA-N 493.699 0.750 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 915290843 ZASNOVFAXOZGDX-UHFFFAOYSA-N 462.553 0.208 30 20 JCED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1COc2ccccc2O1 916420584 PFEUETXXFDBXNW-AWEZNQCLSA-N 459.480 0.615 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCOc2ccc3c(c2)OCO3)cc1 918816835 AWOOQYIOSSJZHM-UHFFFAOYSA-N 461.452 0.304 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 918835391 PJJKDZITWZTBCZ-HNNXBMFYSA-N 453.517 0.881 30 20 JCED CN1CC(=O)N(CCCC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 919006151 BHVSWTHBIDPGGS-UHFFFAOYSA-N 484.469 0.672 30 20 JCED Cc1cccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)n1 1290021604 JQSHKGZFJDGNFC-YLJYHZDGSA-N 463.539 0.999 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1296289376 SKMZQYZJDWJNJT-UHFFFAOYSA-N 480.617 0.922 30 20 JCED Cc1nc(CN2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2)n[nH]1 1465377989 ORVWQKYRDLTZTQ-UHFFFAOYSA-N 457.560 0.730 30 20 JCED CC[S@@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1503301372 FMBVGUSABBCEAY-MGBGTMOVSA-N 473.607 0.409 30 20 JCED CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629486257 WLZWVHQQXXVHNR-GOSISDBHSA-N 454.574 0.498 30 20 JCED CCS(=O)(=O)CCn1cc(C)c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 1635367470 OQUYCCNDIPQQMV-UHFFFAOYSA-N 453.546 0.694 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696895923 ZWBFEVACSXGMPP-QGZVFWFLSA-N 486.602 0.546 30 20 JCED COc1cc2c(cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)O[C@@H](C)C2 1748582817 JSHCEGFURFXHOK-GRDNDAEWSA-N 476.559 0.997 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1778968055 PNEKFWOJABFWNW-UYFSRDTQSA-N 460.531 0.396 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)NCc1ccco1 1779019089 LWSUCNXDEUTAAT-DBAXCHAFSA-N 457.531 0.754 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134730 NMZQAMUXBFUQHO-SBRVNECPSA-N 478.546 0.804 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780040188 DMHHBILVCPSULP-HOYKHHGWSA-N 483.525 0.726 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1781166003 JHKBGYJUIVPESR-XFAGBWLFSA-N 476.574 0.649 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)CCO2 1781268706 UFIZBGCOOCMSJG-VWLOTQADSA-N 497.552 0.832 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781354548 WMOMWYDEJMYWTR-XOOVTEDJSA-N 498.577 0.621 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783171471 WOBOZJZQGVZOGP-ZWWNWMABSA-N 452.552 0.810 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783189752 BRNFMHHSRVEPGA-JTSKRJEESA-N 450.536 0.259 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1783270350 ZVFYMUJFZYEEQY-VXQVSLNISA-N 490.601 0.943 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1783485894 MKZBQLFTISMWHW-QOMBBPHQSA-N 493.557 0.062 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1783765484 OTNZMXRFPKMVJW-YGKZAACZSA-N 464.563 0.812 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784838103 KKWOTPCMTBVQOI-MHORFTMASA-N 463.531 0.844 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1785573757 ZSMQWLXNHGWNFE-QMHKHESXSA-N 474.514 0.446 30 20 JCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1)n1cnnn1 1787198262 SXHKXONYXDOPFV-KNPMLCFXSA-N 478.435 0.813 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788245251 GFSWNXYTCJBTPK-ACRUOGEOSA-N 450.580 0.113 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1788572483 DLNLXQWGZUTJEF-BGJMDTOESA-N 459.547 0.148 30 20 JCED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21 1790571853 IZRGAAFLLKHFGC-SNRMKQJTSA-N 459.572 0.644 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]2C1 1791143054 MUJXSPZBUABRCZ-TUFLPTIASA-N 486.606 0.235 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21)c1ccc(O)cc1 1791335755 AYXJFAGPBCJWPY-IGGJEDBVSA-N 452.511 0.745 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21)c1ccc(O)cc1 1791336420 YCBQPIJEKHCFOI-NQOGSSOHSA-N 471.554 0.932 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]nnc5n4)C[C@@H]32)c1 1791984542 IYEPJXCCLAQPQQ-UHEFJODHSA-N 476.497 0.347 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSC(=N)N)C[C@@H]21 1792257964 QSUPFAIXSSMAHA-VGWMRTNUSA-N 467.592 0.509 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)[C@H]2C1 1792275210 DRQIUFAMCIEODM-UVPYHEFZSA-N 459.609 0.949 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1792451720 PODITDYZGKMAMN-REAORAKASA-N 493.601 0.622 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccc(N(C)C)c1)C2 1792484210 IPXPTNMZANFQEI-BKHSTJABSA-N 456.543 0.579 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)NC2)N(C(=O)OC(C)(C)C)C1 1792586904 YDCDGQGNYGQPHG-PKRADWSKSA-N 476.574 0.668 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1793340165 OCWBVFPOEAINJB-BBWNSZIYSA-N 499.630 0.276 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C2 1793831346 ALOYWCBIVUNHPG-JJTUDDRGSA-N 451.568 0.687 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CCC(N)=O 1795978538 HNTZYVGILWYODH-PJVZLEMVSA-N 477.606 0.914 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1796300650 WWGACRVTAIUNOQ-NYUBLWNDSA-N 488.541 0.412 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1799393667 LLVJMSSFLLOZJZ-VYCZESIESA-N 466.560 0.630 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C2 1800022353 ZWZBEWKFMQVZLP-ZRSRNVLSSA-N 477.606 0.914 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c(C(=O)OCC)ncn2C1 1800326986 XHIAEBSXTAFFLL-OIGVQNGMSA-N 488.585 0.785 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(F)CC1 1800362478 XZWFXAGWKZLNRX-YVSFHVDLSA-N 498.552 0.884 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)CO2)C1 1800710447 KLHZYQOHTAIMRV-FJIDUMEYSA-N 474.558 0.906 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([N+](=O)[O-])c1Br)C2 1800778484 DATVYWYMUPGAMD-YQYWCBKUSA-N 466.244 0.649 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2)c1ccc(O)cc1 1801053750 NKPDRCPGNQOLPU-ULSZTJCNSA-N 471.554 0.129 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccncc2=O)C3)cc1C#N 1801849863 FUPZCKLDCKDRME-BBIADKPPSA-N 465.510 0.806 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCN(C)C1)C2 1802126901 CSRHHBBRQQDQHM-OMZCGLGVSA-N 462.591 0.834 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2 1802128721 RYDZQFRXMBPFOS-SFNKJDCFSA-N 450.536 0.019 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1802147582 FMMWBFXRSOCQMA-SSRUIJIPSA-N 472.608 0.299 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1812872654 GNZWJYZPHFDQMJ-MHECFPHRSA-N 490.516 0.956 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cn1 1812878514 JGYGRHUTOAIMJO-HRAATJIYSA-N 470.507 0.429 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1816981011 SWMJKKGSQULPHR-JQWIXIFHSA-N 452.489 0.029 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817463386 AHBSFIWJCIQSGR-IDTUSYRASA-N 465.474 0.305 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1820894330 MDZBOHGLZDQBQX-HNNXBMFYSA-N 468.474 0.956 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCN2C(=O)OCc1ccccc1 1829090868 YJLMIUIFMYGCEK-XMMPIXPASA-N 473.493 0.823 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829244272 SQKZBGCPXMPGDQ-YNSXNBMNSA-N 496.520 0.566 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1829757077 CXSXUFPAQLPMDA-GWJWUGQSSA-N 451.553 0.122 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1829765967 CIAFETQWSWEXSQ-IYZQMXKPSA-N 453.499 0.491 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1829769284 QPMZOPHRIIDFJM-LJBSOROUSA-N 488.932 0.540 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460971 ZJDCLEUKEWCCHQ-KOSHJBKYSA-N 471.558 0.655 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830886038 QMEIWCVYEQYORI-DVECYGJZSA-N 481.590 0.912 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)C2)C1 1831402688 OYGHUGREOMHNCB-MHECFPHRSA-N 479.574 0.738 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1831410610 DXXDJPJODWJABY-HSZRJFAPSA-N 471.514 0.142 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1831609210 KRMDAJDHGOHGLO-SPLOXXLWSA-N 493.358 0.902 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832048353 BAPDNQSSULVLSJ-KOSHJBKYSA-N 495.573 0.962 30 20 JCED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1832294143 UYPQJJZOPDCPNV-HSZRJFAPSA-N 460.506 0.565 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832493893 WPCXAOHALQBUBA-HTEBCRKTSA-N 471.510 0.141 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nc1F)CCO2 1833259668 BGTRKXSPLZLLHN-QEVIJRNUSA-N 466.897 0.803 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(OC)cc3F)CCO2)C1 1833631921 IDSLWDWUAWHVCL-HTAPYJJXSA-N 451.495 0.872 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1833724352 QUOHRSRDPIWVEK-XMMPIXPASA-N 484.557 0.028 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cccnc3C(N)=O)CC2)CC1 1833919639 SIZYCPYKEIFDPF-UHFFFAOYSA-N 469.590 0.648 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)ccc1Br 1835310000 KYWJPGHNNKCNJR-DYESRHJHSA-N 491.342 0.669 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836098489 RQYGVZLBYDUBOV-FQEVSTJZSA-N 482.585 0.848 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c(CC)c1Cl)CCO2 1836227314 FLAIAVNHMNPZPT-QEVIJRNUSA-N 465.938 0.554 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H]3CNc4ccccc4O3)CCO2)C1 1837351626 SMLFJQPUBAVBIK-CLOONOSVSA-N 485.585 0.988 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1837394533 CKSPNMLZCJTVAE-BWKNWUBXSA-N 488.585 0.561 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837530536 NNAFMWIQKIMDBY-YGOAVPTMSA-N 467.519 0.315 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1ccccn1)CCO2 1837745242 MMANBHZUZBWPDO-MBSDFSHPSA-N 460.531 0.848 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)cc1 1837949819 XLEBKXDILDAYIG-JOCHJYFZSA-N 451.439 0.430 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=C4c5ccccc5C(=O)N4CC3)CCO2)C1 1838458221 VNGHGCHINJUHSK-QYBDOPJKSA-N 479.533 0.752 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Br)c(O)cc1F)CCO2 1838607908 ZNJGTJDSOVJUTJ-LJQANCHMSA-N 485.262 0.452 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)cc1 1838952580 CJDUOXBQJVBYQV-QFIPXVFZSA-N 453.455 0.203 30 20 JCED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839188049 IXGSONOFRQUZJY-DENIHFKCSA-N 465.547 0.810 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CCOC1 1839191339 FPYXVWVDVSNLAN-RPWUZVMVSA-N 477.558 0.540 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486245 OWNNFSVGHKQJSJ-QHCPKHFHSA-N 468.514 0.419 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489317 QUQRUHZCKJMHDX-DHIUTWEWSA-N 485.497 0.120 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839666362 FVBPFGNQYSXTRH-FNZWTVRRSA-N 476.533 0.708 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1840176912 KHWZJZWXKXFYMZ-GOTSBHOMSA-N 478.929 0.764 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)c1ccc(O)cc1 1840220270 GIGOCYSUNVQZQF-RLSLOFABSA-N 469.538 0.482 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840272024 ADQAEGPXWXJUNG-DRMXPCRNSA-N 457.527 0.945 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1)c1ccc(O)cc1 1840322582 LXMYPEHGLOULQE-YADARESESA-N 473.526 0.702 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CCO2)C1 1840371382 FUAMKWCZFMSVOM-PQNGQFLHSA-N 473.574 0.682 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840436671 UILHVGLYXYWPIM-QVJNVZBHSA-N 477.562 0.565 30 20 JCED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1840797170 CKUJFJIVSDRWPG-QHCPKHFHSA-N 477.514 0.098 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813756 UAPFVDZHZYCZDI-HXOBKFHXSA-N 480.562 0.676 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(-c4cccc(=O)n4CC)n3)C2)C1 1840841879 ZRQLPVKWQULLIZ-VWLOTQADSA-N 481.553 0.846 30 20 JCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3nccnc3C(N)=O)C2)c(C(F)(F)F)n1 1844595476 MFRKAJFECKQLHG-UHFFFAOYSA-N 459.388 0.992 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)Cn1cnc3cc(Br)ccc3c1=O)C2 1846194648 BGYJUDKLMMBKJX-UHFFFAOYSA-N 473.283 0.450 30 20 JCED CCc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cscn3)c2=O)cc1 497564913 UNWWXNQJXZVMIE-UHFFFAOYSA-N 495.630 0.869 30 20 JCED COC(=O)c1c(C)nc(O)nc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 506507764 DMTAAKKMHYSELW-UHFFFAOYSA-N 491.551 0.774 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 514334200 WKTSWGWOOROGES-UHFFFAOYSA-N 456.543 0.911 30 20 JCED Cn1c(=O)c2cc(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)cnc2n(C)c1=O 514494114 YWWSTUQVKDIBJZ-UHFFFAOYSA-N 458.482 0.634 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828996 UUQRBSAHRXZKBG-UHFFFAOYSA-N 482.587 0.471 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CCCN(C(=O)OC)C2)C1=O 726404542 ZHPLSAZOJGFTCC-BLTJYWNCSA-N 497.599 0.501 30 20 JCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCNS(C)(=O)=O 727163491 DLPRKACTMJXIDO-UHFFFAOYSA-N 493.655 0.919 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2cccc(Cl)c2)n(CCS(C)(=O)=O)c1=O 729672822 JXLOXZWIOULDIA-UHFFFAOYSA-N 476.967 0.727 30 20 JCED CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 743434351 NJIQVIWMTRBGDY-UAFKWENTSA-N 463.560 0.813 30 20 JCED NS(=O)(=O)c1ccc(OCCOC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 749274256 GRULBIDALIKERA-UHFFFAOYSA-N 453.498 0.385 30 20 JCED Cc1ccccc1CN1CCN(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 791259463 LKYHAHCIKIFTDW-UHFFFAOYSA-N 470.551 0.921 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(F)c(Cl)c3)c2=O)cn1 839369422 PLAAYFXDMWOVLC-UHFFFAOYSA-N 473.917 0.787 30 20 JCED C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 857750150 SUZVSRVJQBOCCQ-DOMZBBRYSA-N 464.949 0.103 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)cc1 918247668 COSVLITVYUYKAV-JJIBRWJFSA-N 461.500 0.464 30 20 JCED CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)N1CCOCC1 918253646 XGIUGWPWYXIQLE-RPYJSOBJSA-N 479.603 0.911 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(Cc3ccsc3)CC2)cc1 918818138 ZBASLGIMVQDTAT-UHFFFAOYSA-N 462.553 0.786 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1303472785 PTEUFCXAZLTOMF-CRAIPNDOSA-N 462.532 0.847 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)N(C)C)CCCC1 1509954438 NVUSGGXNHKOMAE-IAGOWNOFSA-N 481.623 0.998 30 20 JCED COc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1F 1518227112 JHKCZVHAQVYGBC-VQIMIIECSA-N 494.549 0.730 30 20 JCED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1611634289 XSSDCSDSRCZDLU-OAHLLOKOSA-N 466.589 0.722 30 20 JCED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1693747263 LSQNDYFXDOYAQC-RDJZCZTQSA-N 458.544 0.830 30 20 JCED C[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1693858897 RJNQDDWWIFSRCQ-VQHPVUNQSA-N 454.553 0.012 30 20 JCED CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1696980379 ISVSMFUBYCYOAG-UHFFFAOYSA-N 452.563 0.943 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1778975095 WNPLUIDZMHQHGG-AUSIDOKSSA-N 472.579 0.086 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccccc1=O)C2 1779422847 PIQOUEIFUXZRTD-YEFTUJRNSA-N 460.531 0.891 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779953950 ODRYPUXXBJGOKC-FAKCTINISA-N 475.527 0.729 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1780086927 LCFQFFUYFLQKMK-GYLQWBMOSA-N 470.482 0.832 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccccc2C(=O)OCCO)CCO3)c1 1780333824 HYEBGGUFEGTXBK-HSZRJFAPSA-N 452.467 0.793 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1781271875 PTPKNVDSTZBAAM-QFIPXVFZSA-N 456.536 0.395 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782194887 KPJCLIUDGXNPQR-WMZHIEFXSA-N 483.481 0.373 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c(C(F)(F)F)n1 1784036306 WEXGKSXTIWAVFF-RBZFPXEDSA-N 465.432 0.942 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784593302 YCQZXGRZFMYOPO-QYWGDWMGSA-N 463.539 0.533 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1785515202 KEVCMRLXXDELFG-OYHNWAKOSA-N 464.519 0.576 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1)c1ccccc1 1787269547 IJHWAKBHDUEWMU-JTJHWIPRSA-N 489.536 0.603 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)c([N+](=O)[O-])cn3)[C@H]2C1 1787638104 ZPYWTJLZHIKLDF-XMVVGHCXSA-N 457.487 0.750 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1789839369 ULTOCRKJJWQAKC-HAGHYFMRSA-N 488.589 0.955 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1789892413 XWQGTTSDKOWBSR-HVTWWXFQSA-N 461.559 0.877 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC)C[C@@H]21 1792258143 UCYFDPGASRGKTR-OYSTVDSJSA-N 450.580 0.881 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1793349348 PWXIMNXYJNSRNV-ZMMAXQRCSA-N 455.552 0.444 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)OC)C2 1793594850 GNASHQLKMKYXHA-YYAJDYIMSA-N 453.536 0.999 30 20 JCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 1794000021 XLDRYANAXXKSCO-OPMZPASUSA-N 452.471 0.885 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(=O)n2O)N(C(=O)OC(C)(C)C)C1 1794360242 IUQNRIZFXYCYJQ-WQDJSCAQSA-N 488.541 0.854 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N 1795466196 RMPVRCHPGKFUNI-QKPAOTATSA-N 450.540 0.880 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nnc(C)o1 1795792145 BGLRSDKBTWARDW-YYAJDYIMSA-N 461.519 0.427 30 20 JCED Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C/N=C/c3ccco3)C4)c(C)n2n1 1796926116 BBXDUGTWCBTHFT-NFKCIYQVSA-N 451.487 0.656 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011959 CXXKHNGBHBVQQN-FQLMCAECSA-N 476.490 0.438 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c3c(nn1C)CCN(C(=O)OC(C)(C)C)C3)C2 1800455687 MWRNSTFMSRSTRV-CCWDJLKJSA-N 457.531 0.550 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 1800872156 LMRHBOFJYDWUQN-OPOADAIRSA-N 498.001 0.636 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)OC 1801040680 OIHACCCVFSMHQG-UYTYNIKBSA-N 498.577 0.416 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1802125059 NNBBDDYTJXVXEZ-KRXQYRFLSA-N 487.513 0.295 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[S@](=O)CC)C2 1802125162 ABPFCZAISPWASW-UYXROKOJSA-N 469.604 0.651 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806078360 KTSMSJSMPDOCPI-FQPQFMITSA-N 477.525 0.200 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1807151736 YDPFJHVFJRFQSX-DYESRHJHSA-N 467.530 0.944 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807950582 VALNTKKHUZCURC-DDUZABMNSA-N 467.490 0.328 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807952477 SALPYMNVWQQTSX-JTSKRJEESA-N 499.491 0.478 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1810399523 NZOQPMQDVRJKCB-CBWPXHNPSA-N 457.531 0.086 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(O)nnc3O)cc2)[C@H]1c1cccnc1 1811423886 HOXRVULFSVRNFB-OXJNMPFZSA-N 476.449 0.481 30 20 JCED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1815213215 RNURQJYIKHYNKV-GDBMZVCRSA-N 498.544 0.440 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CNC(=S)NCC)sc2C1 1824492535 KPJWEDAWJSELJA-KRZKBDHCSA-N 450.590 0.398 30 20 JCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CC2 1825663456 GQIYTCZMXWQHOZ-ZJUUUORDSA-N 457.468 0.149 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828522071 DQZFXNOAMMNDSQ-KOSHJBKYSA-N 475.542 0.322 30 20 JCED CC(=O)N(C)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828625293 QCZKTNDJCRJGIB-RUZDIDTESA-N 498.536 0.395 30 20 JCED CN1CCC[C@H](C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1829201665 SQOAXSKAUWZJBC-LVXARBLLSA-N 496.564 0.868 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)CC2=O)c1 1829637872 RMRADBUKGVTDSO-RXFWQSSRSA-N 481.549 0.918 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](NC(=O)c4ccccc4)[C@@H](C)O)C3)C2)C1 1829661208 OZSBWHREDJDFIW-DHTSOJEISA-N 471.554 0.588 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1829769353 RIUJGUXHXUIIFN-LXHZQTKUSA-N 476.461 0.662 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1829770500 UTKYHDPEFLTDFO-BBIZLLLXSA-N 485.463 0.367 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)cc1 1829904585 QSUMETYCGHCMOP-DEOSSOPVSA-N 460.494 0.914 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1831396972 MZHYRWVGBXXHHW-DQMJNTIXSA-N 495.573 0.165 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1831438500 SZWIBFWBBNWKEU-AOMKIAJQSA-N 484.546 0.890 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1831482057 CITDPOFTADKWGT-IUKKYPGJSA-N 499.630 0.976 30 20 JCED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1831837378 WTXYUXXRSGQNHC-GOEBONIOSA-N 476.603 0.372 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1832000454 PPHANHHIBKQWIM-YQKALOBUSA-N 494.589 0.952 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832483133 GYLZVANQGHEHEY-JOCHJYFZSA-N 471.620 0.166 30 20 JCED Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)s1 1833021090 LHHWISJUMPQNQK-UKKLRFBMSA-N 464.592 0.707 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833149533 PBRQZSRUFBQDNW-IBGZPJMESA-N 450.536 0.603 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1833315554 SYSNUXWDLCZEDM-XMMPIXPASA-N 463.494 0.744 30 20 JCED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c(=O)[nH]c1C 1833389795 DCGVOUZHKHFAQR-DEOSSOPVSA-N 491.508 0.519 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)n(C)n1 1833447208 DJBVFRWEMAWIJM-HSZRJFAPSA-N 471.489 0.752 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4nccn(Cc5ccc(F)cc5)c4=O)CCO3)C2)CC1 1833566782 WQAJGHPIVZWXME-VWLOTQADSA-N 495.511 0.804 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833617480 IVQRXKLHHZGETI-XMMPIXPASA-N 456.543 0.792 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](CC)NC(C)=O)C3)C2)c(O)n1 1833695834 HUCBQZYSVJPPPO-YKSBVNFPSA-N 474.558 0.891 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1833865124 YOEQBFAMBJGECN-QHCPKHFHSA-N 479.497 0.560 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)n1 1835100247 IUQCXZGRFYEZFM-AREMUKBSSA-N 478.549 0.795 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835340035 ZOIUJBXJUQNANE-VWLOTQADSA-N 482.537 0.527 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835342690 KPTIKQCIRDQWCW-QFIPXVFZSA-N 461.540 0.393 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1835674479 JTSZOQUFHKTBCR-JOCHJYFZSA-N 455.519 0.081 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1835768852 LPPMPRVGDJROKF-GYBNKOMZSA-N 463.579 0.613 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncon4)C3)C2)c(C(F)(F)F)n1 1836321934 QRRNWVPQOKJPSJ-GOSISDBHSA-N 466.376 0.739 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836450747 DBICJHPZNYAJFK-XMMPIXPASA-N 476.493 0.979 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837371419 WFTCTCWUZMTDJU-JOCHJYFZSA-N 491.932 0.962 30 20 JCED Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489530 LVQSGJDNSSISTP-JOCHJYFZSA-N 462.572 0.802 30 20 JCED Cc1nc(N)sc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489531 LVQSGJDNSSISTP-QFIPXVFZSA-N 462.572 0.802 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(F)(F)F)nn3C)CCO2)C1 1838076464 HMXOGXPRPPGMFI-LIRRHRJNSA-N 458.437 0.547 30 20 JCED COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1838514854 NQZUPKATQFCTSE-DEOSSOPVSA-N 459.543 0.930 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n(C)n4)C3)C2)c1 1838580536 IMLGBYLKPAOJIA-QFIPXVFZSA-N 455.471 0.390 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1839175149 RMXUYGTVJYXNSX-OAQYLSRUSA-N 453.442 0.939 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839189514 QHYKPKWZAZQOEM-DEOSSOPVSA-N 468.485 0.918 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839372519 FVKALULXWXZXJS-VELLRTDKSA-N 479.486 0.402 30 20 JCED C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401067 OJAKVQNSXYMPDL-VLIAUNLRSA-N 465.348 0.986 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)[C@@H]1SC(=N)NC1=O 1839420360 DREHSFBKCYCICH-YOKWENHESA-N 489.529 0.570 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C)cc(C#N)c4)CCO3)C2)nn1C 1839453004 IUXSMFKZMZOEPG-QHCPKHFHSA-N 453.499 0.993 30 20 JCED CN(C)[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1Cl 1840044547 LJZQGQXCQHUVJS-UNMCSNQZSA-N 463.918 0.487 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1840174028 DKGJVHHIPKNYGU-MRXNPFEDSA-N 460.272 0.660 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c(C#N)c1 1840232371 VCSSFJKPJNEDSR-HOYKHHGWSA-N 470.526 0.092 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840483049 OAQIPZUFSGYYCP-RWTMDTCBSA-N 462.503 0.193 30 20 JCED CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840583355 KLSAJXQOZWJBRR-DUQABTKISA-N 466.579 0.845 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)no3)C2)C1 1840906704 HPWUGOWRXWUPLX-CYFREDJKSA-N 490.557 0.899 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1840908107 AMQFHNHWFMNCQZ-JBLMXEMSSA-N 479.530 0.390 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1840909363 YJZXPVQOIDYDGT-MHECFPHRSA-N 479.574 0.665 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840939600 LIEWAGCEHZGYDM-AIBKJFCZSA-N 452.552 0.458 30 20 JCED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)c1Cl 1841894442 DJRVBUMZXPBNHZ-UHFFFAOYSA-N 450.948 0.759 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1845254829 MVTXFAAGCFQXRL-CQSZACIVSA-N 475.571 0.846 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1847068716 GQKCANSYSPOMJO-HZPDHXFCSA-N 453.561 0.684 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=N)N 1847685005 VYFGVGQVTSTUQG-QYZOEREBSA-N 483.573 0.679 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)c(OC)c1 516375870 VSJRPCMFAKFTFG-UHFFFAOYSA-N 498.605 0.556 30 20 JCED CN(CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 603441047 SBVWRAMFQJMLSD-DLBZAZTESA-N 455.558 0.373 30 20 JCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434446 HXORDENEUAQAMS-UHFFFAOYSA-N 474.495 0.265 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@H](C)CN2CCCC2=O)C1=O 726403043 IRTGIUFASTVDHK-ZINDYXBPSA-N 481.600 0.281 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O 727160405 DKQUGGLKSNUAKH-UHFFFAOYSA-N 462.535 0.127 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(SC(F)(F)F)cc2)c(=O)n1CC(N)=O 727161324 VLRZITNGYZBHCA-UHFFFAOYSA-N 498.508 0.369 30 20 JCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)nc1 915778312 XCZQOSBTCGKPPV-UHFFFAOYSA-N 451.487 0.391 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 916694434 TWITVVMEYQQLJQ-HIXSDJFHSA-N 492.602 0.508 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 918263457 FAKOVJIWHMANIT-ZXVVBBHZSA-N 469.527 0.933 30 20 JCED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 919666773 NFNCBOXZCFKOMC-MRXNPFEDSA-N 452.489 0.775 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1Cl 1135633400 UUMUSIFIDJPREH-NVXWUHKLSA-N 450.948 0.896 30 20 JCED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCOC[C@@H]1C#N 1191627917 ZNQMKKHHAKXOBP-INIZCTEOSA-N 452.533 0.658 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 1291920577 SSALEKHDRNETBT-YVEFUNNKSA-N 459.450 0.915 30 20 JCED COc1cc(OC)cc(N2CC[C@@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)c1 1294465150 VBAMHIQZGGQSCA-LJQANCHMSA-N 458.496 0.775 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507854711 PKCKEUGZXFTGDF-KGLIPLIRSA-N 467.017 0.645 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCS(=O)(=O)C1 1510175114 LZZYLCSCYGRLJJ-GDBMZVCRSA-N 458.610 0.843 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705755713 XBPAWQGRONAGJP-GJZGRUSLSA-N 458.972 0.565 30 20 JCED CC(C)N(C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1706886562 ADVXTCAVDMOIJE-AEFFLSMTSA-N 452.629 0.795 30 20 JCED C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1708278801 JWYVWOAIMVKLLA-VGOFRKELSA-N 490.586 0.740 30 20 JCED CCOc1cccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1710547079 NZPBBRPSEJXTPU-WOJBJXKFSA-N 490.586 0.981 30 20 JCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CC1=O 1712470466 XUDAJMHDBWCPTN-QGZVFWFLSA-N 458.544 0.546 30 20 JCED N#Cc1ccc(CN2CCN(c3nnc(CN4CCCC4=O)n3CC(=O)NCC(F)F)CC2)cc1 1731183922 YUZRBYHNIJMOJT-UHFFFAOYSA-N 486.527 0.976 30 20 JCED C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)N(C)C 1741125691 NAKDWXQOQXEDAH-AWEZNQCLSA-N 454.578 0.836 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(N(C)C)CCCC1 1751229430 OOCLGXRUFHGBFB-WMZOPIPTSA-N 464.640 0.939 30 20 JCED COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H](C)O1 1769490132 VYPGQMQDLAVKDA-APWZRJJASA-N 475.571 0.997 30 20 JCED CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1771364536 IMWSBEYYMAHPKK-DYESRHJHSA-N 460.560 0.734 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CCO2)C1 1778974313 YFCJZTKICOCDIS-MZNJEOGPSA-N 480.525 0.587 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1779323255 OJTVAVBOFIAEMA-GLDPYIMESA-N 496.605 0.827 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ncccn3n1)C2 1779422944 UALAJZMEPUHSCM-KUWARCLVSA-N 471.518 0.781 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781090137 LMAZGKVLXGSFIF-RLSLOFABSA-N 493.649 0.922 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnc(O)nc2O)CCO3)c(C#N)c1 1781172529 SQCMGDPFDQBFNP-QFIPXVFZSA-N 453.455 0.454 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO3)c(C#N)c1 1781173874 XLHVJHZULQVJJY-QPPBQGQZSA-N 487.509 0.434 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1781263861 GWODPUZIRLDXME-AOMKIAJQSA-N 469.535 0.211 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1781265914 WEVIBECLMZVVJC-XMMPIXPASA-N 472.542 0.871 30 20 JCED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(C)=O)CC1)C2 1781801707 MJLNXATZAZCXPY-WIYYLYMNSA-N 456.534 0.876 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4c(C(F)(F)F)cccc4n3)C2)C1 1782217226 RWRHXENRXBQGJC-LJQANCHMSA-N 450.373 0.885 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782318014 WCECDZYDJFLAPR-NTKDMRAZSA-N 466.494 0.376 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783268104 ABHTZXVZMBUONF-YGKZAACZSA-N 461.515 0.505 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(OC(F)F)c(O[C@H]3CCOC3)c1)CCO2 1783566561 DWLYFDMURFNWLF-QMHKHESXSA-N 494.447 0.987 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)cc1 1783607533 SPQWHSKOWIGTQH-BZSNNMDCSA-N 472.592 0.941 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783836524 WKHIHWWCPMWIPU-VGOFRKELSA-N 485.603 0.558 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1784785211 IMWUNXLBILLKFW-KZYORJDKSA-N 466.579 0.158 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)[C@H]2C1 1784815693 VCTROHLEPFCKJU-JAYGYPRLSA-N 476.574 0.834 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)NC(=O)OC(C)(C)C 1785306030 HHBZXXPXZZNQDW-DGGJZMOXSA-N 481.594 0.269 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)C1 1786698969 DPXSEQPDVWHXOL-DSFVOBFGSA-N 462.547 0.642 30 20 JCED COCc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788659393 LDHHUEYOOUXUNT-GWFCEMRTSA-N 450.492 0.943 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327541 QZYTVGREQHXYIZ-UHMOLFJZSA-N 468.514 0.179 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790750800 NAKMURDDMITJDR-ZULIPRJHSA-N 461.540 0.494 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)N4CCOCC4)C[C@@H]32)c1 1791987159 OZVWLPTTYXVWIJ-UATPHRJKSA-N 456.543 0.558 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1792261241 DGAZDFKFBHOAMS-WNHJNPCNSA-N 499.568 0.690 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1792780671 NBSNVVNPFAEGHF-BOCLWZTGSA-N 465.510 0.269 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)C1 1792814791 WCDYTWZEYVZZGL-KUZXJPOESA-N 497.596 0.829 30 20 JCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1793380927 JBIWLOYNRJMYED-MVJTYMMSSA-N 455.602 0.784 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795600739 HADOUQHQFXQMRT-XETNVZRVSA-N 489.617 0.971 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)c1 1796426627 KFMFMLOUFXXBJV-LKIBZCMFSA-N 455.540 0.872 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)c4ccccc4C2=O)C3)c1 1798691280 WNSLXNBWSDCDTR-VPTLXERWSA-N 461.478 0.776 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1799355482 ONKGSSJRLJAJJK-IIZPIQPGSA-N 471.554 0.903 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cccc(-n2cncn2)c1 1799774861 AWZGWLKZOQSALV-BMDJJADWSA-N 468.514 1.000 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc5n(n3)CCCO5)C4)c2c1 1799884026 JFGNYESHMHLJEW-YVWYUNDQSA-N 461.482 0.931 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779179 XLMZMZOGGHAALP-JDCJZRKESA-N 475.542 0.557 30 20 JCED COC(=O)[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](S)C(C)C)C2)NC(=O)OC(C)(C)C 1800909228 UWJZPEIAPNDHRL-SQDXWYPISA-N 487.619 0.987 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1803248671 NSCKTISBUZAPNH-HLIPFELVSA-N 474.514 0.451 30 20 JCED O=C(NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807354644 RHYNWEYJPUVEQA-GCJKJVERSA-N 489.536 0.831 30 20 JCED C#CC(=O)N1CC[C@@H](CNC(=O)c2ncn3nc(N4CCOCC4)ccc23)[C@H]1c1cccnc1 1807793065 TVDUIHKPBIFYHP-FDDCHVKYSA-N 459.510 0.914 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cn3[nH]cnc(=O)c3c2C)[C@@H]1c1cccnc1 1811305801 WPTUADWHCDIWRA-KGPYNAKISA-N 489.536 0.904 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1819706110 KGQKOIILUFVDEW-CJNGLKHVSA-N 470.617 0.359 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](O)N2CCOCC2)CC3)c1 1821387923 KMVIRLJXEVVLOK-BTYIYWSLSA-N 471.539 0.900 30 20 JCED C=CCSCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1828627673 GSGXKRLTJNYUBU-QFIPXVFZSA-N 463.556 0.668 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC#N)C2)C1 1829138105 RZQLEUZTHMNGHS-SQJMNOBHSA-N 499.568 0.893 30 20 JCED Cc1cnc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)cn1 1829332164 AOXQZWNJNGSQDU-VWLOTQADSA-N 491.504 0.939 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468000 BVGKQLUAHIWLQW-UZUQRXQVSA-N 459.930 0.839 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831146113 ZYYINDXNURQSIS-NBGIEHNGSA-N 473.570 0.788 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831166678 LSQJDLUNEZEBQN-QGZVFWFLSA-N 451.520 0.659 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1831398418 AVYJAUTYLVROBS-KSFYIVLOSA-N 482.530 0.338 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)no1 1831493839 UYUKIGGMJIAQJV-PXNSSMCTSA-N 454.549 0.124 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)CCO2)C1 1832004064 LUDZJJQIIOOSBN-FVJVTNMWSA-N 499.605 0.962 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2)C(F)(F)F 1832251454 IPSYTIPSEXLLRQ-CYBMUJFWSA-N 466.306 0.917 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)c1 1833398681 RIOFUFMUCBGRFJ-XMMPIXPASA-N 483.546 0.607 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833616071 WNCIJOMWXVJDGK-VWLOTQADSA-N 488.585 0.971 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833651684 STYBOWLXEPECNC-JPYJTQIMSA-N 455.515 0.928 30 20 JCED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833713934 ISDVCATUCPRJFK-UHFFFAOYSA-N 466.648 0.482 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)COCCOC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1835248784 YPHPSMBGDANRNV-YADARESESA-N 497.589 0.671 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346047 OWYBAHPWFYCTIA-KSFYIVLOSA-N 466.535 0.022 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347678 BYOQOXJXERLRAE-OWSXEPHWSA-N 492.573 0.507 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 1835844484 WFAIIFOSESTHQC-JOCHJYFZSA-N 455.559 0.895 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4cc(=O)nc5cccnn45)CC3)CC2)c1 1836170498 SLPCEKFCKNMLPQ-UHFFFAOYSA-N 474.525 0.788 30 20 JCED CCOc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cnc2c1cnn2C 1836377531 BCHZODAAUCBQPM-QHCPKHFHSA-N 470.530 0.987 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836977813 NQIAQTPAFGTINP-VWLOTQADSA-N 470.570 0.988 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1837395038 OJRMXJDSCGUCTP-RDPSFJRHSA-N 469.542 0.910 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1837490752 NOFNYAJHFLSLJW-HXUWFJFHSA-N 476.448 0.247 30 20 JCED CCOC(CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)OCC 1837533188 KOLAAKWYQXNRJS-PHPQDFSTSA-N 471.551 0.761 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837643093 HCCOXDJWDQWNFZ-TZJQQCNGSA-N 473.555 0.871 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1 1839130743 QUEHCRJZCOTQHF-CYFREDJKSA-N 480.606 0.701 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1839130793 UQBPLRUWQDFKTD-JXQFQVJHSA-N 480.606 0.734 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839452681 QJIBKSKJWFFMLG-JOCHJYFZSA-N 459.572 0.421 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc([N+](=O)[O-])c(O)cc3C)CCO2)C1 1839465680 ILBIZAHIRHQKKM-KSFYIVLOSA-N 461.471 0.717 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839717931 SAAVIWZFKZKJFE-YLJYHZDGSA-N 468.532 0.167 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1839839718 KLKOTMRLKPYMQV-VGOFRKELSA-N 465.572 0.908 30 20 JCED CC[C@@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840110421 KVRRIEZZXZDMKI-XCGNWRKASA-N 489.635 0.815 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(Br)nn4c3)C2)C1 1840159530 GWQTWKVNMISZNI-SGTLLEGYSA-N 484.376 0.880 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCn5cncn5)CCO4)C3)c2c1 1840359695 NMCNZTCAPLGXOA-JOCHJYFZSA-N 464.486 0.186 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccn1)CCO2 1840426599 FJGXGVNSOHUYIM-JPYJTQIMSA-N 461.515 0.815 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CC(N)=O)C3)C2)cc1C#N 1840762858 SWSAMUGYFNHHDD-XDHUDOTRSA-N 472.542 0.927 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)CCO2 1840902145 GREYJVURTUMFKW-CLOONOSVSA-N 487.553 0.771 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1840913464 ADKLTZLLONNSEV-HPCCJCSGSA-N 492.573 0.048 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842875466 MFYPNAGAKMHINE-JLTOFOAXSA-N 472.479 0.384 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1846561804 QDHGHBPCQCHETD-RTBURBONSA-N 486.573 0.577 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccn1 523181453 NHGMRINFEIVHHW-UHFFFAOYSA-N 466.567 0.327 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)cc1C 589161883 ZBYZXOKLFABFGF-UHFFFAOYSA-N 463.581 0.504 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2-c2ccc(OC)nc2)CC1 608884314 PPYCIMJSBXUHIW-UHFFFAOYSA-N 482.591 0.426 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(N)=O 608911108 KEGDZLIPNMNNHJ-UHFFFAOYSA-N 469.350 0.358 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)cc1 727231394 KPOBGGHWNULXTK-KHJVFXTQSA-N 463.560 0.942 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccccc2Cn2cccn2)cc1 853704158 DBJKVELNSPVQGZ-UHFFFAOYSA-N 467.507 0.941 30 20 JCED CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 913173857 QRTACTYHFNRGJP-ZBFHGGJFSA-N 471.557 0.194 30 20 JCED Cn1ncc2c(=O)n(CC(=O)[C@H](C#N)C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cnc21 917011347 LCPSVKMLYDNDCW-INIZCTEOSA-N 464.442 0.096 30 20 JCED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 917036541 MAVMEOCGDPPYAJ-GOSISDBHSA-N 460.512 0.693 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cn2ncc3ccccc3c2=O)CC1 919262305 GCBVLHCYWWKOFC-UHFFFAOYSA-N 495.517 0.344 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc3c2OCO3)CC1 919475206 JVTJEZNYNGRSIJ-UHFFFAOYSA-N 457.464 0.977 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 920681607 JAZPUXJFAHOGRI-UHFFFAOYSA-N 463.516 0.624 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCOCC1 1286971210 ZUXVEQFPDIYELB-SJORKVTESA-N 469.612 0.318 30 20 JCED CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCC#N)CC1CC1 1517623485 ZVRAHGVYUXZEQJ-UHFFFAOYSA-N 470.559 0.871 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1541928173 XEURSYRRKOGCOJ-ULMVMLMRSA-N 497.576 0.676 30 20 JCED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 1554356603 PUPYSRJUZZKOTC-AUSIDOKSSA-N 487.630 0.991 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1555814538 ZFJDWEYMBGZTEO-IRXDYDNUSA-N 486.620 0.176 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCNS(C)(=O)=O 1608564541 VXQQUFJVUVYQFV-UHFFFAOYSA-N 478.554 0.303 30 20 JCED CCS(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@H](C)C1 1643004425 LXYDETFCIRLRTQ-YLJYHZDGSA-N 451.568 0.890 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCO[C@H](C)C1 1693849940 OJSDZNQHIFIHIM-IPMKNSEASA-N 483.639 0.850 30 20 JCED CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1710905418 GAGGVARNKYMRCW-UMSFTDKQSA-N 485.614 0.566 30 20 JCED CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729744395 JNELAPJTOOUDRU-UHFFFAOYSA-N 467.559 0.406 30 20 JCED CS(=O)(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750202737 MKFVCHROFBCPED-UHFFFAOYSA-N 472.575 0.428 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC(F)F)C1 1770348697 KQTOROMHVPNQTN-AWEZNQCLSA-N 475.522 0.122 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CCO2)C1 1778972257 AXEMXFFFSPGAGI-OJLQRUNKSA-N 497.589 0.846 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)cc(C(F)(F)F)c1 1779096517 KLGCBIRMKVWKJW-CTNGQTDRSA-N 482.459 0.671 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)N(C(=O)OC(C)(C)C)C1 1779097303 UWQFUIAAGGNUIJ-WXVUKLJWSA-N 494.589 0.033 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106125 XIDGTNXBDSIXSR-ALKKFDDFSA-N 484.550 0.231 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784086522 MIOMVSKTELOHOO-MHECFPHRSA-N 489.573 0.990 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1785225948 TWMJWAVCKDJFKL-VFNWGFHPSA-N 452.504 0.711 30 20 JCED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1786562988 GCIMJEVVXQUQDP-JBACZVJFSA-N 478.574 0.923 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)ccc1Br 1786843858 ZRSSEJOMCXROCG-ZVZYQTTQSA-N 489.374 0.754 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)cn1 1787251798 ZIBIKNZTJUHDPM-ROYMWGEZSA-N 491.614 0.691 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(=O)NCC(C)C)C[C@@H]32)c(C#N)c1 1789842008 PEYCIJSXMSYZOD-YYWHXJBOSA-N 456.543 0.861 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792902034 NLIGSNOMNXGPIB-RDGPPVDQSA-N 472.542 0.943 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1793353953 WEZLMDHLXJVDJU-CLWJZODNSA-N 482.578 0.328 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ncccn1 1794193778 HJCQHVPGLPSMII-CLWJZODNSA-N 457.531 0.525 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 1797246979 MZMDVRAHVOOFRA-BMFJARKSSA-N 482.581 0.335 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]n2)C3)CC1 1799236603 SIHFYSOIEWYZFI-MUJYYYPQSA-N 473.534 0.549 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)c(C#N)c1 1799238289 FKOJCDFZANNULT-FAQVEIGNSA-N 468.470 0.504 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F)[C@@H]1SC(=N)NC1=O 1799745570 UIRMZKWCILLLCB-SYCOBUBCSA-N 459.503 0.703 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2)C(C)(C)S 1800907115 ZDCQJCCYWYNXCU-CYGHRXIMSA-N 496.634 0.860 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1)c1ccc(O)cc1 1801440492 UYUCILUZHLPHEX-SDLUEBNPSA-N 452.515 0.727 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2)NC(=O)OC(C)(C)C 1801931118 GOVVDNIRGTYZCY-NXEZDXNNSA-N 491.545 0.951 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1807146358 XNSDNPGCEKTYRI-TZIWHRDSSA-N 490.630 0.795 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1812495517 XDSAGBBEIMDLEZ-QRVBRYPASA-N 461.588 0.946 30 20 JCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)CC1 1825643926 VMONUBKEDPURGQ-HXUWFJFHSA-N 481.553 0.729 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3csnn3)C2)C1 1829330732 PMQWXYVKYXLJBU-QFIPXVFZSA-N 483.506 0.692 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(CC)c4ccccc34)C2)C1 1829765238 OGXPGDUCKWLPSP-HAAQQRBASA-N 481.553 0.985 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(NC(C)=O)cc3)C2)C1 1829770375 LVNIUSSXPKVTAY-RRFNBQSRSA-N 484.553 0.502 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456202 FOFYEGLMRAYILL-HSZRJFAPSA-N 457.531 0.218 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830886042 QMEIWCVYEQYORI-YADARESESA-N 481.590 0.912 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1831396702 PXEPLHCGAVJFFK-SBUREZEXSA-N 453.499 0.580 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1831412599 UVKHNNBZOYCCGP-JOCHJYFZSA-N 450.488 0.856 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1831494111 XXMNGIUGLIUCCX-UTKZUKDTSA-N 482.628 0.302 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1831496513 XXNLAFURFRMQDM-OFNKIYASSA-N 462.616 0.794 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)ncn4)CCO3)C2)c(O)n1 1831733038 WBUNBICWKFJVNX-QHCPKHFHSA-N 469.498 0.785 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1 1832025691 IYGIYMNXYWKHCX-DEOSSOPVSA-N 466.494 0.252 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c(O)n1 1833700292 SHJYKLKLFXWFMA-HAAQQRBASA-N 484.553 0.811 30 20 JCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)cn1 1834530629 JNTHFEWOPSLMBW-QHCPKHFHSA-N 469.473 0.809 30 20 JCED Cn1ncc(I)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834760462 NEAMXWLWJAEXAD-MRXNPFEDSA-N 473.271 0.008 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338365 GHTHPSGRHOHUMF-DGGJZMOXSA-N 480.562 0.675 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)ccc12 1835354508 MCYNIJGPGVJACM-QHCPKHFHSA-N 469.498 0.885 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1836621853 MRBNOAXXXSFDSG-QZMQVMSPSA-N 497.520 0.126 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)N1C[C@H]2C[C@@H]2C1 1837279131 RFZMLVMBADZFRV-FMNIHWTGSA-N 452.555 0.897 30 20 JCED O=C1Nc2ccccc2/C1=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837325282 MEDXJEFPGWUBTJ-QCVKOXIASA-N 481.553 0.950 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837374470 GVCHMSJLTUDPEE-UZUQRXQVSA-N 476.961 0.856 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837375967 VMCFPWZFPIPQDI-KOSHJBKYSA-N 471.558 0.655 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)[C@@H](O)C=C)CCO2 1837404917 DBQURIACXUXNDP-MHPIHPPYSA-N 493.601 0.933 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837445390 WISSIRMTBGWUAM-OVRHDEQLSA-N 473.559 0.628 30 20 JCED Cc1nccn1CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447860 VXKLFDFADQEXBD-AJPHYDNBSA-N 460.579 0.900 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1837565047 KEMBGSTVHJAJDU-QMHACROESA-N 479.537 0.921 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837592046 MISDJXFABCTSTR-CYFREDJKSA-N 489.573 0.634 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837833539 BHVSOOXSCXYJOB-HXUWFJFHSA-N 450.927 0.482 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)CCO2 1839043748 QVODAYOXHBVUTG-RUZDIDTESA-N 496.564 0.842 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1839073250 VGZCKKDNWOUPSN-JTSKRJEESA-N 453.536 0.394 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)ccc1Br 1839079431 QPWVMWSIKXXDCI-MDKPJZGXSA-N 493.358 0.114 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839173667 FSXQROTXCHDZAG-QFIPXVFZSA-N 478.502 0.277 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c1 1839420539 OQFHNEINENJSIJ-FQEVSTJZSA-N 458.406 0.712 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839432100 BDCOZSQAPDYMIT-QKKBWIMNSA-N 452.891 0.860 30 20 JCED O=C1Cc2cccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5(O)CCCCC5)C4)C3)c2N1 1839573441 GHMXIGMBZSMSRG-AREMUKBSSA-N 481.549 0.950 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839723885 WSHDSXXFHBIDSE-WZONZLPQSA-N 475.546 0.325 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c(Cl)c1 1839783969 GFIQXRBNMROTLU-WIYYLYMNSA-N 481.958 0.859 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(C(F)(F)F)n3)C2)C1 1840040893 DGNSUPXVVCDDPW-IBGZPJMESA-N 455.389 0.187 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)CCO2 1840093288 XUBHHLJIKLCOKN-FQEVSTJZSA-N 469.947 0.098 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840292054 UQPAJWKXABHFJP-CYFREDJKSA-N 481.590 0.912 30 20 JCED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)cn1 1840462929 VXNXQRYHTRBWON-DEOSSOPVSA-N 451.527 0.923 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3oncc3C)C2)C1 1840909174 NXYMBTHEJAASBF-HXOBKFHXSA-N 476.530 0.970 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1846282062 ICFWLLMCYKBHPZ-OALUTQOASA-N 470.574 0.483 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1848149953 JATPUIWFYCODIL-IKGGRYGDSA-N 454.531 0.404 30 20 JCED C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O 19314449 RVPCTZRHBOFJNE-DEOSSOPVSA-N 495.561 0.999 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cscn2)c1=O 497576440 JCTPNZYIIGRZMW-UHFFFAOYSA-N 461.613 0.460 30 20 JCED COc1ccc(CCn2c(=C(C#N)C(=O)NC[C@@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)cc1 501995460 UBKNDCAGBKQPSI-FQEVSTJZSA-N 493.589 0.693 30 20 JCED COc1ccc(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1S(=O)(=O)N1CCOCC1 515984035 AINJKOWMZNMESX-UHFFFAOYSA-N 485.566 0.874 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(N)=O 524282232 XNHWRICUYCEZQU-UHFFFAOYSA-N 450.467 0.272 30 20 JCED CS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726402555 RTWUHRUTWCARSP-OAHLLOKOSA-N 467.573 0.325 30 20 JCED C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577335 OIGDNZVFICUUHO-FOIQADDNSA-N 490.589 0.929 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)CC2)cc1 728219615 MCCUFXZNYZKLSF-XMMPIXPASA-N 493.545 0.785 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c1 728503940 GBOOYPATRDRESJ-KQWNVCNZSA-N 492.539 0.648 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCS(C)(=O)=O 729673428 OYLVQXYNWLBAJE-UHFFFAOYSA-N 461.609 0.991 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c(C)c1 729673477 RJOYWSQLRCWAIO-UHFFFAOYSA-N 459.593 0.697 30 20 JCED N#CC1(NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Br)cc2)CCCCC1 771817563 ADMKNJSEZHRHNI-HNNXBMFYSA-N 488.360 0.974 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)cc1 878407600 WLVFPKNMGKDKTQ-PXNSSMCTSA-N 470.569 0.473 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc(C(C)C)n2)c1=O 1251156003 LTRSMZFRQIKELA-UHFFFAOYSA-N 491.639 0.088 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1305314710 PNTFSCOUAXOAEP-DKYLXPRQSA-N 453.613 0.862 30 20 JCED CCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514264243 MLQTXWZKLQBDIR-WFXMLNOXSA-N 481.623 0.339 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1611712142 YYLSZRIJLHLYRP-GOEBONIOSA-N 474.522 0.990 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1697023226 OBZITOOULOZIFD-UHFFFAOYSA-N 459.576 0.667 30 20 JCED CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1706690028 XNWRPNBBNCHEIK-KNQAVFIVSA-N 475.571 0.997 30 20 JCED CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C)c2ccccc2c1=O 1709807356 RCHBOFJPYDITAQ-OAHLLOKOSA-N 450.503 0.882 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC(=O)N1CCOCC1 1761481114 LYSTYYZMUVIXMW-HNNXBMFYSA-N 453.569 0.267 30 20 JCED CCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778980689 XWKCKUFHHVEEBL-AOMKIAJQSA-N 483.587 0.941 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)cc(C(F)(F)F)c1 1779096526 KLGCBIRMKVWKJW-TZIWHRDSSA-N 482.459 0.671 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)N2CCOCC2)C3)c1 1780090366 IUIHBZMXQURASO-JCTONOIOSA-N 472.542 0.345 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1781112002 QZXYGMYGUYOZKZ-ZMPRRUGASA-N 450.536 0.594 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1781290255 HPDFVCJOAYEJFQ-UZUQRXQVSA-N 481.594 0.947 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCOCCOCCOC)C1 1782064442 VECKSQCYMAGZJV-MIZPHKNDSA-N 454.564 0.608 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cnnn2)C1 1782611105 MNGNEYOOXUCFFP-PMECCGAFSA-N 489.577 0.665 30 20 JCED COc1cc(/C=C/C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(OC)c1OC 1783038956 URSJJEVCFNWJQT-OIUIXCLQSA-N 458.467 0.644 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1)c1ccc(O)cc1 1784018683 WIHNMNNCCCDXES-XMSQKQJNSA-N 479.470 0.444 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1785572559 MOKPNTVWKPWNJQ-SBUREZEXSA-N 459.499 1.000 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1785575527 CYKFULCDRVXJQK-OPAMFIHVSA-N 481.619 0.217 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)c3cc(=O)n4[nH]nnc4n3)CCC2)cc1 1785837662 LUZLBQWPOWAUCJ-HJWRWDBZSA-N 462.470 0.419 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1)NC(=O)OC(C)(C)C 1786369187 WBBJFTNSBPCSMA-JONQDZQNSA-N 452.508 0.336 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=C\C(=O)NC5CC5)[C@H]4C3)c2c1 1788496763 XEVDXZDTIPWVDG-OEFPIHMXSA-N 462.510 0.863 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1788639277 LPQOOGBFUSNUJE-MYGLTJDJSA-N 471.510 0.841 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)N4CCOCC4)[C@H]3C2)c(Cl)c1 1788657270 SWUXSOUYVZMOJL-LLRHIXAHSA-N 462.934 0.456 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789914282 QAQDMVBRXOXLRR-XSLAGTTESA-N 455.552 0.444 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 1789954213 WQOGPCJXDPYBAB-YEWFCNIMSA-N 466.560 0.879 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)n4ccnc4n3)[C@H]2C1 1790407994 INCYDASQJOJDAC-TYEGUXDJSA-N 452.515 0.489 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]3C2)c(O)n1 1790634188 GUSJCJZPROLNBF-WBAXXEDZSA-N 474.514 0.042 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791768799 WPNDPVAASYEKIO-XSLAGTTESA-N 487.619 0.870 30 20 JCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1792759382 LUWXXDLYNHBTGJ-NXOAAHMSSA-N 451.568 0.771 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1793593983 YZWILIRGSLJGJW-QRJUGERDSA-N 452.508 0.154 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1793599421 VOQQUMHCURTVCK-AXVVYFOYSA-N 475.546 0.302 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C2 1793832286 ZCBXTAUIALSVSV-QEOTZNIISA-N 451.568 0.687 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C=CCN1 1796756793 WBYUTMZIKJCFEX-PJVZLEMVSA-N 491.589 0.958 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1797789431 FPRJFOXHGVPELP-BAYUQKDNSA-N 475.473 0.324 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCCNC4=O)C3)ccc1F 1799325668 NXYIFCRKMDTMCF-FAQVEIGNSA-N 480.500 0.473 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)N2CCOCC2)C3)cc(C(F)(F)F)c1 1799785804 OBKGBAXMBKSLGA-YNVMFWSZSA-N 482.459 0.431 30 20 JCED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O)c1cccs1 1800391488 RBPKDBHKPPFACC-KCSWZWPMSA-N 452.554 0.654 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2)C(C)(C)S 1800908017 UHZCPLVXXOYWOY-WTLGNFPFSA-N 498.646 0.800 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2)c1ccc(O)cc1 1801056353 XJSLHNYWBWNDAP-QOEYQVKJSA-N 471.554 0.630 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801302488 JQGGVAKBCGLOOR-IVSAIRAKSA-N 478.575 0.403 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Nc1cnccn1)C2 1802125803 VCBAJDXZSLMAIP-BFMVXSJESA-N 486.573 0.783 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1802146188 MFEZRTVNBAZXEC-HGJUEJDCSA-N 484.601 0.918 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C 1802159539 CKCOPCNPJCXIFE-DMUMMCEESA-N 493.605 0.721 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1806859993 POYWDEBIJVAVPP-WZONZLPQSA-N 469.519 0.822 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)N(C(=O)OC(C)(C)C)C1 1808270564 FAOPBAIWTIWHMR-FYQPLNBISA-N 472.590 0.939 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1808449654 IVCUWAOPCPQMHJ-QKNQBKEWSA-N 460.531 0.748 30 20 JCED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)cc1 1811354537 JUEMWDCLILWFQR-GHTZIAJQSA-N 483.492 0.907 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1811712576 OSLTUGOCTNMBHN-HRAATJIYSA-N 464.457 0.964 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812390711 AKVZEBLADAKTND-FSJIFWRBSA-N 458.519 0.102 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813172398 KVYMLAVSJSLWBM-UTKZUKDTSA-N 452.515 0.294 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNC(=O)c2cc(C)on2)[nH]n1 1814438998 XDYRXINEJHCCCZ-ZPUOCTKUSA-N 469.502 0.987 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815328363 NYTAWQKLWPQVLH-NSHDSACASA-N 469.531 0.382 30 20 JCED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1819467906 HVWMEZNIXQOKCS-DLBIENHSSA-N 469.520 0.649 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1819907019 LSLNWIDHNKAVTP-AEOGYIDMSA-N 461.500 0.509 30 20 JCED CC[C@H](C)[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828588545 BVDKVVRGNBULSD-QRJOEMBSSA-N 485.537 0.934 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCN2C(=O)OCc2ccccc2)C1 1828589813 NZRYDVICOKPWOJ-AOUJKTHWSA-N 498.536 0.585 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628573 QMCMONKLDJIBJS-JPYJTQIMSA-N 492.598 0.275 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(O)c3)C2)C1 1829773762 UPQAJDLOLZRJFX-QZOBCFMQSA-N 457.527 0.640 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1829845683 GKGLUFQEPRUAHE-IMRHEYAYSA-N 478.546 0.240 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1Cl 1829955998 DDKVTLUUVWIXPE-OPAMFIHVSA-N 460.918 0.808 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)c1 1830458520 GDIXYHLTRKRAFZ-VWLOTQADSA-N 480.521 0.970 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccccc4[C@H]3O)C2)C1 1831386934 CCGXZNDBWINKDP-LALUYCJQSA-N 456.539 0.777 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1832110526 QBPQOTOAXBVFKN-OAQYLSRUSA-N 466.535 0.118 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1832461131 QBVRLOLLXBIKNA-HTAPYJJXSA-N 462.572 0.576 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1cccnc1)CCO2 1832724044 KPJXMSZVSSLCSE-QHCPKHFHSA-N 460.531 0.251 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnnn1C)CCO2)NC(=O)OC(C)(C)C 1833239009 MCOAUJHCJZTJJR-HXOBKFHXSA-N 492.577 0.745 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CN4C(=O)CNC4=O)CC3)CC2)c1 1833678936 JXAJGMDFNYXKSY-UHFFFAOYSA-N 466.542 0.604 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834590303 FMLAESJEDWYKPA-YADARESESA-N 488.541 0.774 30 20 JCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(Cc3ccccc3)C(=O)C(F)(F)F)C2)C1 1834765926 MPURZXDDSCOYDP-OAQYLSRUSA-N 482.459 0.948 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COCCOC)CCO3)C2)c(O)n1 1835239286 HHJBFWSEUNKNBZ-QHCPKHFHSA-N 463.531 0.639 30 20 JCED COc1ccc(OC)c(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1835275409 LNKNIEBLUWNQRU-QHCPKHFHSA-N 460.483 0.181 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338936 ZPTWVJKIMDWFDF-UZUQRXQVSA-N 478.546 0.382 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccccc4C(=O)OCCO)C3)C2)CC1 1835345149 FVACMOSSLFPBCJ-QHCPKHFHSA-N 457.483 0.209 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)CCOC1 1835359177 YOMYUXFUVMHKLM-FCHUYYIVSA-N 466.535 0.430 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c2ccccc21 1835677599 RMAAWLPAKLNXOO-VWLOTQADSA-N 498.584 0.078 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@@H](N)C(N)=O)CCO2 1835742576 AGSGTOGZBCVKFB-XMSQKQJNSA-N 466.655 0.087 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CN)c3ccccc3)CCO2)C1 1835811997 NCYULNUIZCVCPO-RDPSFJRHSA-N 457.575 0.467 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cccc1C=O)CCO2 1835952512 SZPZZVYGWWVFJI-YRTIDYAOSA-N 458.515 0.176 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)s1 1837442550 ZGEFPFSKAGEQKF-BCVDLATCSA-N 450.565 0.317 30 20 JCED C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447936 YNOYXEDKYPFMPE-OKEGVBJISA-N 459.547 0.777 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528637 LVQJJQBQIYIYIR-OQLYQQOISA-N 495.602 0.937 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1)c1ccccc1 1837615819 NKQGCWOZSZUGHZ-NHCICSSKSA-N 466.542 0.888 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837728079 SENQRCLTWYWZPJ-ZJSXRUAMSA-N 472.542 0.098 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)CN5CCNC5=N)CC4)CC3)c2c1 1837863015 VYIBSJFPEWKXDL-UHFFFAOYSA-N 478.557 0.887 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1838286612 OCHLPTMYTLASGT-UHFFFAOYSA-N 464.607 0.742 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2 1838472377 HVQUBNDVXMUECC-HSZRJFAPSA-N 455.515 0.595 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)no1 1838735964 CLCXGHJFXCIBSY-OAQYLSRUSA-N 456.459 0.282 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838741895 HKJHJWPACOXTKK-QFIPXVFZSA-N 464.519 0.026 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)cc1 1838950613 UDDWCDNAWXRGBV-OAQYLSRUSA-N 454.443 0.433 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(CC#N)cc5)C4)C3)CC2)CC1 1839107477 LTVUWIXTGCMDLN-VWLOTQADSA-N 481.597 0.603 30 20 JCED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)cn1 1839186156 CVTTXSVNGVJJQP-QHCPKHFHSA-N 469.473 0.809 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839222043 ACJMQAYOOGYBBL-YVHKJVDXSA-N 486.566 0.129 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(=O)oc5)C4)C3)c2c1 1839488097 WZRIFTGFPFTDMF-QHCPKHFHSA-N 463.450 0.772 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839497925 QILFVVNZWWERGZ-HSZRJFAPSA-N 454.531 0.686 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1839890206 NDCMQPZNNYTTPB-AUUYWEPGSA-N 463.478 0.497 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ccc(F)cc3F)C2)C1 1840039651 BRSAFXDKYZMWNB-HXUWFJFHSA-N 454.451 0.601 30 20 JCED CC(C)(C)n1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1Cl 1840041001 KJXRRSONMWABCY-FQEVSTJZSA-N 452.895 0.450 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccn1)CCO2 1840426601 FJGXGVNSOHUYIM-WZONZLPQSA-N 461.515 0.815 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1840907211 QGVIPGSUYQSIRE-GAJHUEQPSA-N 473.530 0.463 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840941555 RXSWFBLPSXHVNE-CPJSRVTESA-N 492.617 0.845 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)[C@@H](O)C1 1845107393 ZIIZUIMVWBJLKF-QSGFCBGKSA-N 480.562 0.947 30 20 JCED CC(C)(C)OC(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)(n2cccn2)CC1 1846197182 DJFZHJYZPUNNOB-UHFFFAOYSA-N 485.541 0.901 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(=O)(=O)c1ccccc1 106038711 MECJYECSLGSEKD-UHFFFAOYSA-N 462.553 0.712 30 20 JCED Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2)cn1C 497357018 DHXLKHYQUDGFJB-UHFFFAOYSA-N 457.560 0.745 30 20 JCED COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 516138535 XHVUDMOWIAIAAX-LJQANCHMSA-N 485.566 0.844 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CCNS(C)(=O)=O)c2=O)s1 524282974 WIRRIYFSEYQWKD-UHFFFAOYSA-N 488.616 0.971 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCNS(C)(=O)=O 591684697 UBTOKAQTMBDXIZ-UHFFFAOYSA-N 489.619 0.901 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1cccc(NC(C)=O)c1 603495305 BODUKHDTIHWGGK-UHFFFAOYSA-N 452.492 0.716 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OCCOC)c3)c(=O)n2C)CC1 603993457 XPZDOWQIWJSGMS-UHFFFAOYSA-N 456.568 0.139 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccc(OC)nc1 608884425 RKPDLCRKXFARGV-UHFFFAOYSA-N 498.586 0.735 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O 608911581 KEJAPTFGDBPGBS-UHFFFAOYSA-N 482.484 0.460 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(N)=O 608911976 XYZMBPKDZMCMIT-UHFFFAOYSA-N 469.350 0.358 30 20 JCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c1=O 608912904 JHKGNZUNVIXHAH-UHFFFAOYSA-N 468.626 0.104 30 20 JCED CC(C)(C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)n1cc([N+](=O)[O-])cn1 726661379 NVWJMDOSHYFSAY-UHFFFAOYSA-N 490.498 0.474 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c(Cl)c1 729671223 KQEPKWFBRNNGFZ-UHFFFAOYSA-N 496.010 0.742 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O 730028903 LHTRPLFRFNIDCE-SBUREZEXSA-N 454.483 0.561 30 20 JCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 783334854 RZNXNQHTHNLEHX-INIZCTEOSA-N 498.627 0.437 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)cc1C 838956290 KDTDNNRFGJNLKP-UHFFFAOYSA-N 451.552 0.905 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)c1 918249430 YHJGAEILTAQKKY-JJIBRWJFSA-N 461.500 0.464 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1302489417 VBKKCSZCRROXLK-LJQANCHMSA-N 460.560 0.998 30 20 JCED CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCS(=O)(=O)C1 1517039899 VNNBEZZNYMBLGQ-SJLPKXTDSA-N 478.600 0.722 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cccs2)C1 1519563841 PWWTXCGEPIQQQU-HOCLYGCPSA-N 452.562 0.644 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1615974030 YKDFUZOXAXAYOW-LJQANCHMSA-N 487.586 0.584 30 20 JCED CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1620155759 TWICMGFJIUDWDI-WIYYLYMNSA-N 461.544 0.894 30 20 JCED C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1662090515 KKDPNUDRXCQURZ-MAUKXSAKSA-N 456.590 0.674 30 20 JCED CCCN1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1695398799 VSFAZRBNOPQZFA-ABSDTBQOSA-N 469.587 0.927 30 20 JCED CCN1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1695902414 RTKKWAMNFOMPSP-SFHVURJKSA-N 453.551 0.682 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1712704712 PGAFMAKLMSUARV-GOSISDBHSA-N 457.560 0.942 30 20 JCED C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1712851177 UJELPXACGVCJJK-IXFSTUDKSA-N 488.614 0.912 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749223592 CSRORXWMAALUAG-CIRFHOKZSA-N 467.596 0.116 30 20 JCED CC(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750982071 QIKHHUBIXRFSLM-KRWDZBQOSA-N 451.535 0.737 30 20 JCED CCS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766731248 XEFLFQFZRUVEGJ-UHFFFAOYSA-N 481.586 0.796 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104570 MFGZWXOHJGTSHT-MMCQHXDLSA-N 498.577 0.885 30 20 JCED CS(=O)(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1782720894 SVZJABGVZPXHHD-WIYYLYMNSA-N 454.589 0.634 30 20 JCED CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783141955 IOJHXLOUAIXNMC-QHCPKHFHSA-N 477.562 0.493 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)C2 1783269405 UALWUWMGPMVNFI-MNFWLRKXSA-N 494.589 0.480 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1783478490 LCDPRJMAVIQYSG-BCRJPVCJSA-N 493.601 0.622 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C[C@@H]21 1784480246 SWLOEHGXYUFTRU-SPOLIRPYSA-N 466.579 0.247 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C[C@@H]21 1784484737 ZNSKHQNGWIUCKU-WKRCXCSHSA-N 454.527 0.358 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CCO2 1785421144 MDNIWBPRULVUTJ-DWIBEDJPSA-N 469.604 0.892 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1785575193 ZRHCIIVIFNPVRU-XDHUDOTRSA-N 488.541 0.756 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)CC2)CC1 1786367309 HTGVDAIWHBMYQY-BVSLBCMMSA-N 459.591 0.603 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]3C2)c1 1790637236 WRMVOMWGUJTHEC-FCLVOEFKSA-N 456.499 0.450 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21)C(F)(F)F 1790883118 CHYWCIBPHNONMJ-YDHLFZDLSA-N 451.405 0.801 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1)NC(=O)OC(C)(C)C 1791265981 WIUNEBHSLZGVSA-CWVYHPPDSA-N 473.592 0.741 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1792267213 RUXNAKCGYGRTKJ-BOGGJWPESA-N 490.601 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(NC(C)=O)c(O)c1)C2 1792490687 KNHDVSOZGTXUBP-OIQBNGKOSA-N 456.499 0.412 30 20 JCED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)nc4cccnn24)C3)cc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n1ccnn1)C2 1793599550 ZLFOVMDXMFCBMS-JCECYMMASA-N 462.551 0.898 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOC1=O 1797164374 KTWLUDDIASEJMG-SFNKJDCFSA-N 480.562 0.888 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCN(C(C)=O)CC2)c1 1797934744 OJCHXXSULPZKTB-WKCHPHFGSA-N 453.543 0.983 30 20 JCED COc1ccc(CNC(=O)CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)cc1 1800279561 PAJBUYFCVKLQGI-OPMZPASUSA-N 454.527 0.985 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1800997123 MZCDZIKJMXLPEP-DMUMMCEESA-N 493.605 0.721 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2)c1ccc(O)cc1 1801054153 JZIFBYZPMRPKOL-RZUKHUMYSA-N 456.543 0.072 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1801964859 PRSUPJYIYAGXJF-HUUJSLGLSA-N 480.606 0.720 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1802020182 VNYARUUPUHPXFA-SFNKJDCFSA-N 478.594 0.146 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2 1802226334 MGIZJHBKEMPRKG-FZKCQIBNSA-N 456.565 0.866 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1802479053 XTUBITUCTBJAQG-KACWQLICSA-N 465.510 0.261 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1803556287 HDONSZUNPQQBGO-REWPJTCUSA-N 478.615 0.801 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808270909 JFKBANANVVWVNE-OKYOBFRVSA-N 460.579 0.843 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810566204 QFSZLRKJPOVWCA-BNYBZKDHSA-N 455.515 0.951 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814773273 FPAVDWSJJDLCOJ-ZDUSSCGKSA-N 479.455 0.731 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)ccc1F 1815066856 PUNUMTUJYSTNHY-UKRRQHHQSA-N 458.519 0.901 30 20 JCED CN[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1)C(=O)O 1817367133 FVNGPIBSHVWPFY-YOTAAVABSA-N 450.496 0.994 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822201306 YZZZACDVRHVWOP-HIFRSBDPSA-N 462.507 0.732 30 20 JCED COC(=O)[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1)NC(=O)OC(C)(C)C 1822314511 FQVISPWPPGDHID-HUUCEWRRSA-N 491.501 0.946 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825674728 NTVMYVUNHGBVMB-GTJPDFRWSA-N 478.527 0.515 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1ccnn1 1829247246 NHSSMMFSBICBHA-UUOWRZLLSA-N 494.508 0.379 30 20 JCED COC(=O)C1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1829317275 OPGBLANRWADDIM-XMMPIXPASA-N 497.504 0.480 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCCc3ccncc3)C2)C1 1829764511 OBKNCAWOOJGIDR-POUSAUBHSA-N 456.543 0.719 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)c(C)c3)C2)C1 1829764846 ASGDYYJAYCVMMG-UZQCKINESA-N 458.515 0.327 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C3)C2)cc1 1829902677 XZZZGVDLVQWIPZ-QHCPKHFHSA-N 499.549 0.022 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063067 HYOPGTKLRIDDNM-UZUQRXQVSA-N 462.547 0.909 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)cc1 1830216234 APUXNULZUYKSFU-MONBJTKQSA-N 463.531 0.986 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)c1 1830461367 FBVQHCZJTHXZRA-VWLOTQADSA-N 477.521 0.981 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208567 NQLQXNYJSSFRTH-XMMPIXPASA-N 479.574 0.788 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2NC1=O 1831218408 SCXFPYMRZYJICC-UPCLLVRISA-N 453.495 0.889 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1831387946 UKZJNTHMCDGYNV-MBSDFSHPSA-N 461.584 0.601 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C2)C1 1831388496 ZBXSYHRETZCKTO-SBUREZEXSA-N 467.563 0.784 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)C2)C1 1831425373 UBZHTSBKRSRSEZ-CLOONOSVSA-N 499.568 0.541 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1832462877 ZLLYGWAJCNSLOM-STSQHVNTSA-N 499.630 0.732 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)c1 1832877913 NJRMQQKDZVMKHR-XMMPIXPASA-N 465.510 0.776 30 20 JCED CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cc1C(=O)O 1833608123 HAZFVHTUSLVOMK-YQSZEYAUSA-N 487.513 0.944 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC(F)F)cn3)CCO2)C1 1833636566 FWTPHXPEEKEWCH-QVKFZJNVSA-N 453.442 0.791 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833837404 AIXRNRGQWJXJTQ-MWTRTKDXSA-N 489.529 0.169 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834357658 UQBTUIIVRIZQPP-KDGIGMFRSA-N 450.467 0.820 30 20 JCED C=CCCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CN4CCNC4=N)CC3)CC2)c(O)n1 1834702937 CSOBUELFJOBDAS-UHFFFAOYSA-N 483.617 0.931 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(N4CCCC4)ccn3)CC2)CC1 1835179341 RLCVRPJBFSHRQV-UHFFFAOYSA-N 453.543 0.955 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cccc(N4CCOCC4)n3)CC2)CC1 1835198606 RVFQASQHUOXEPF-UHFFFAOYSA-N 469.542 0.191 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1835677072 HYRPPXMWYWQDJV-HSZRJFAPSA-N 454.531 0.915 30 20 JCED Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)c1 1836203978 VKTCHDPBGHICHI-HSZRJFAPSA-N 453.499 0.599 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn(C)c(CC)c3Br)CCO2)C1 1836276283 JKOAPWWAEGCRTA-BTYIYWSLSA-N 497.390 0.853 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c(C(F)(F)F)n1 1836320597 HFKNKRKNPYDEGA-OAQYLSRUSA-N 491.426 0.989 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1836590604 ZXVILVODSAJSAV-DHIUTWEWSA-N 479.530 0.178 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836776136 DDAMIQHLGLFPJY-DYESRHJHSA-N 465.576 0.041 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837173562 XLMJOMKNHHPGQN-DEOSSOPVSA-N 476.493 0.750 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3CNc4ccccc4O3)CCO2)C1 1837351627 SMLFJQPUBAVBIK-DFBJGRDBSA-N 485.585 0.988 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1837393433 RHSDQGLHMRKWPY-HTAPYJJXSA-N 477.587 0.671 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1837393434 RHSDQGLHMRKWPY-JTSKRJEESA-N 477.587 0.671 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1837399515 VRUAWZOBYHZISZ-GRGOARACSA-N 475.542 0.482 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1837399702 ZTJONDYPXMHJLO-NTKDMRAZSA-N 469.542 0.910 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1837443420 JVBBCFVTEMKAPH-AQPAOHHBSA-N 481.557 0.809 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837493584 LRBQKXXYYKWUGA-XMMPIXPASA-N 458.559 0.818 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)no1 1837549350 QYOPMMFHUHTKGD-HSZRJFAPSA-N 485.472 0.494 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Cn2cncn2)CCO3)c1 1837646102 NTJDIJSYUMETHU-SBUREZEXSA-N 468.514 0.565 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)CN(C)C(=O)C(=O)O)CC3)CC2)c1 1838535141 FOZBILGVRVEFCI-UHFFFAOYSA-N 486.525 0.722 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)c1 1838906235 ALMXUGBKEFUZKF-QFIPXVFZSA-N 451.439 0.430 30 20 JCED CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132283 CKEHPUCPKOTLGO-KOSHJBKYSA-N 458.559 0.906 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(OC)n(C)n4)C3)C2)c(C#N)c1 1839132299 COBRPCHHXUHENO-DEOSSOPVSA-N 483.525 0.622 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1839175022 JYHLYYHOOXCNNP-DEOSSOPVSA-N 471.510 0.509 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1839225503 LAMYDKDCLGJAOZ-WNSKOXEYSA-N 472.498 0.692 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1 1839477311 HXCTVJFTJBGFLJ-JOCHJYFZSA-N 479.530 0.993 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)n(C)n1 1839487331 BUJDYCYJDJFFKZ-QHCPKHFHSA-N 463.498 0.860 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc6n(n5)CCCO6)C4)C3)c2c1 1839488351 MTXAQIKGTTYUMD-XMMPIXPASA-N 491.508 0.797 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CC4)CCO2)C1 1839608363 ZVSZQISPRSHGJL-OSPHWJPCSA-N 455.511 0.680 30 20 JCED COc1ccc2nc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2c1 1840042610 DXZNJKYQEKOSLO-QHCPKHFHSA-N 453.451 0.401 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044917 GYYHHSZENJNCML-UUOWRZLLSA-N 493.557 0.568 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840219282 HEANGUPORUTLFG-XZOQPEGZSA-N 465.547 0.228 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251812 ZIUHKSKHXPKCHP-JTSKRJEESA-N 451.520 0.597 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1)c1ccc(O)cc1 1840322581 LXMYPEHGLOULQE-NTKDMRAZSA-N 473.526 0.702 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2)C(=O)O 1840713379 BZBQWABLPDQSSF-QUZZAMIASA-N 458.515 0.446 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840772364 PADNKPUGFWQZHS-ORAYPTAESA-N 460.549 0.618 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C(=O)OCC)CC3)CCO2)C1 1840817704 QBCMMKRXCUIORY-NTKDMRAZSA-N 481.590 0.884 30 20 JCED COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818524 HYHOZLGHLQLFNQ-QHCPKHFHSA-N 469.498 0.449 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840819511 OBDZGTURBFTWRC-FQEVSTJZSA-N 467.425 0.503 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCC)C2)C1 1840909266 XQNYIKURZIYPFH-JPYJTQIMSA-N 467.563 0.786 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1841055516 KAPVQRZSOJZSQK-QGEPZOCXSA-N 496.564 0.820 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2)C(C)(C)S 1846301586 ZVTVOOCDIVTRLE-CQSZACIVSA-N 453.569 0.478 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)s1 516372592 KLHGENRLODDEQK-UHFFFAOYSA-N 458.609 0.908 30 20 JCED COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 521118965 GVKJZKCVPHNRHE-UHFFFAOYSA-N 478.509 0.722 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 522283497 SFIXXWOZLYFTEO-UHFFFAOYSA-N 468.514 0.448 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccsc3)c(=O)n2-c2cnn(CC)c2)CC1 523575755 CRXUHCKECRMGOI-UHFFFAOYSA-N 468.608 0.844 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc4c3OCO4)c(=O)n2CC(C)C)CC1 603988943 NDPRYRCYGPLTQW-UHFFFAOYSA-N 468.579 0.962 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCNS(C)(=O)=O 608912937 LEBIDUKIZFZVBT-UHFFFAOYSA-N 476.624 0.495 30 20 JCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 609128847 PJCPTQJCLUJZPZ-HXUWFJFHSA-N 451.531 0.811 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(C(N)=O)cc1 609351182 SSQZKRXZESUNTF-UHFFFAOYSA-N 496.495 0.638 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1 726577710 UJRWPJHPAWPMNQ-UHFFFAOYSA-N 496.570 0.657 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2CCOC2=O)c1 728406741 LATUGYNUWSIAMF-JWGURIENSA-N 451.505 0.396 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 728536330 WAVUEACYXOLGAL-KRWDZBQOSA-N 482.990 0.305 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCS(C)(=O)=O 730801686 GRXWFXOLSBMQRI-UHFFFAOYSA-N 455.508 0.262 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)c1 784931429 NTZWNSVFBUATBH-OAQYLSRUSA-N 456.480 0.719 30 20 JCED CCN1CCN(CC(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C(=O)C1=O 916952421 FCOIZQSTWDPPRB-SFHVURJKSA-N 489.554 0.199 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 918127281 CYOKIZYAZNLXTE-UHFFFAOYSA-N 450.561 0.881 30 20 JCED Cc1nn(CCC#N)c(C)c1CCC(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 919252711 IDORADGTQNJXMV-UHFFFAOYSA-N 479.545 0.915 30 20 JCED CC(C)(CC#N)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1186901437 ZICJTQDOVHXFLL-UHFFFAOYSA-N 456.546 0.593 30 20 JCED COc1ccc(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1315459512 LBKWNHODGUYZCE-PMACEKPBSA-N 490.586 0.981 30 20 JCED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1552456192 LZBVQZCTHDGNBO-GTJUCTONSA-N 460.560 0.839 30 20 JCED COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1555575079 KZKMMMSKLQMJGC-AZUAARDMSA-N 465.514 0.952 30 20 JCED CC(=O)N1CCN(CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1596297214 LWBYMKLKEQXUIP-FQEVSTJZSA-N 457.510 0.889 30 20 JCED CCCN(CC)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709719411 UEPOSXDQKBYDJQ-PMACEKPBSA-N 494.666 0.519 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711419908 NCLJJIVFOFVFCX-UHFFFAOYSA-N 453.532 0.483 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1CC1CCS(=O)(=O)CC1 1741914644 LYLKNDDPKJTQBO-CQSZACIVSA-N 458.610 0.843 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1747425718 MGMRGXQMEBHGPT-UHFFFAOYSA-N 474.591 0.950 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1779331602 YRUWUZHEGKWGDJ-UTBIRPSLSA-N 483.606 0.959 30 20 JCED CN(C)c1ccc([N+](=O)[O-])c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1 1780064542 PUPSQAZXUBGHMG-XMSQKQJNSA-N 458.471 0.876 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](C)n2cnnn2)C3)c1 1780091004 IJFILSULBRCYPE-VQPPSCEASA-N 453.503 0.942 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780155982 WSONRQWYPNROSG-IBLIISRWSA-N 471.510 0.138 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCO)C1 1780769899 RSGSKFAMMKRYLH-PMAPCBKXSA-N 467.563 0.426 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c(C#N)c1 1781172710 DKDAMYPWTRSVRR-HSZRJFAPSA-N 464.482 0.142 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781173650 UPWBGFXSJIUXLX-NZQKXSOJSA-N 458.515 0.090 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C3)C2)c(C#N)c1 1781860421 HVYRMQVGMPXATC-RDPSFJRHSA-N 488.541 0.782 30 20 JCED CC(C)(C)OC(=O)N(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)C1CC1 1782009285 JFFYPTGILTXTAH-UZUQRXQVSA-N 463.531 0.988 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1783166560 HZIVPGIUGUFDGQ-SEPYTNNBSA-N 464.563 0.812 30 20 JCED C[C@@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565017 HWDONNQDQXLNPO-CLJLJLNGSA-N 492.532 0.318 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566651 XPKRMLZCRSEGFR-XDHUDOTRSA-N 475.542 0.942 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCC(=O)NC4)[C@H]3C2)c(C#N)c1 1783630550 MPJPTYLYMJPZRZ-USNOLKROSA-N 454.527 0.615 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]3C2)C1 1783685462 RJPXGHRINBWNKF-CFLDLGCGSA-N 464.563 0.888 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c(C#N)c1 1783981133 NQORVQSYDAPFSZ-FQEVSTJZSA-N 468.432 0.618 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)n2cnnn2)CCO3)N(C(=O)OC(C)(C)C)C1 1784087892 CFMWGGBZOCNKGR-JLHGSKIFSA-N 475.550 0.630 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(OC)nc3)[C@H]2C1 1785094158 MGVXXNPLCMIZEY-NFHHFDAXSA-N 456.543 0.861 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)CC(N)=O)CCO2)C1 1785592454 BWSHFGRKGILUHK-OYYQPBACSA-N 464.563 0.797 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)NCc3ccco3)C[C@@H]21 1789891407 YEHZNMIHDSGPMU-MKTSTNRYSA-N 473.526 0.941 30 20 JCED CC(C)(C)OC(=O)N[C@H](C[C@H]1CCOC1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075579 AAISOEZUJDOKFU-SPOLIRPYSA-N 493.557 0.374 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793256826 RKKVAUOPOMOMJF-AJYBTWMASA-N 490.605 0.146 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1793348710 ATKGXPIEPOFONX-UPHUGPLXSA-N 465.572 0.812 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C(F)(F)F 1795586355 VYIGTYRPHNTHQK-LXTVHRRPSA-N 464.485 0.937 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](N)c1cccnc1 1795684494 JHGSKZLFVSTYPG-YWQQVWADSA-N 485.585 0.978 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC 1797583533 FHPZYIOBRMNAIS-ULQWZQFMSA-N 484.550 0.110 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783764 HXHZEGSRAWYYLR-VWNVYAMZSA-N 468.554 0.488 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1797784390 CJCXAEZMKQRVEX-XRYLAESTSA-N 457.571 0.676 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)C=C 1797949682 XKQBZEOJKYURIO-OGJJZOIMSA-N 462.547 0.183 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cc(-n2ccnc2)ccn1 1798729040 OEAKLTVOUIKIIV-FKMLMQSASA-N 468.514 1.000 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)cc2)c1 1798920987 SXOPDIYXLVPSFZ-OPVJXMOQSA-N 454.508 0.874 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12)[C@H]1SC(=N)NC1=O 1799882535 UTHOOCCZVQJMKT-RKHQKPBDSA-N 481.538 0.440 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO)c1ccccc1 1800580743 MSPLUOBWWZFBSU-KHUIQGCPSA-N 457.571 0.060 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cccn1 1801390336 CNUGLEAUCMKWKB-UJWQCDCRSA-N 459.547 0.950 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)Cc2cscn2)[C@@H]1c1cccnc1 1802482617 MITBJVPNCPQXLS-LZMYHKKHSA-N 468.583 0.972 30 20 JCED C#CC(=O)N1CC[C@@H](CNC(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)[C@H]1c1cccnc1 1812448675 JAHBSGSYIJKBFC-OXJNMPFZSA-N 490.524 0.861 30 20 JCED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1825105623 VZXNBNBKFRTYNH-LJQANCHMSA-N 482.585 0.857 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1828990286 NBUYENVZKFVKFN-QFQXNSOFSA-N 495.580 0.445 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cnc[nH]1)CCN2C(=O)OCc1ccccc1 1829044157 IIVLHIVZWKPAKP-XMMPIXPASA-N 479.493 0.492 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)COCCO)CCN3C(=O)OCc3ccccc3)C2)CC1 1829227995 PHMBDHVRGXCJQS-XMMPIXPASA-N 470.526 0.751 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829309728 JDNICFRSIYZPBS-CYFREDJKSA-N 467.526 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)c3ccccc3o1)CCO2 1830306390 JEHYYWKTZDZJEI-UTBBOMKLSA-N 481.505 0.721 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456309 JCUKMGSYMDPOMC-QHCPKHFHSA-N 475.567 0.853 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831212946 DPSXSJKPYIDTMZ-CJFMBICVSA-N 491.585 0.882 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CCC(C(=O)OC)(CC3)CC4)C2)C1 1831393570 YHEYPBRTWPAVEJ-AMXYLDMISA-N 476.570 0.995 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1831407185 QWOOQAGPLCRTOP-RXVVDRJESA-N 452.577 0.452 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1831487007 IQCXVSAYPNKFRC-YVHKJVDXSA-N 488.651 0.639 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487839 KFSHQDZLWUJEJZ-DQZIINAFSA-N 468.595 0.422 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CC(N)=O)CCO2)C1 1831616006 PCIOLSMMEOELIA-SEPYTNNBSA-N 482.578 0.424 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccn(C)c2=O)CCO3)c(O)n1 1831881946 CMRHYHUYPBCFTP-RUZDIDTESA-N 482.537 0.988 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)no3)CCO2)C1 1832574955 GOZKUEPAMAXYAB-NTKDMRAZSA-N 490.557 0.899 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832724506 UQMRGUOHJXLYTH-WIYYLYMNSA-N 450.561 0.222 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1833470795 SIRSWPBBKDCJFO-UHFFFAOYSA-N 452.552 0.084 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)N(C)C)C3)C2)c(O)n1 1833695757 GVOQVXQRXBYWCN-QHCPKHFHSA-N 475.546 0.247 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C3)C2)c(O)n1 1833696188 VCNWFYQQQHWTDM-HXOBKFHXSA-N 495.598 0.657 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834196689 RXHMPIVCUSKDMR-MZNJEOGPSA-N 488.541 0.774 30 20 JCED COc1nn(C)cc1C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834714705 LNWSUOLIUNVVRH-UHFFFAOYSA-N 459.595 0.896 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc5c(c4)OCO5)CCO3)C2)c1 1835170373 ZXPDGIJFRMKHMU-HSZRJFAPSA-N 452.467 0.928 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2)c1ccc(O)cc1 1835640313 PPIIUFMAVJDJOD-CJFMBICVSA-N 483.569 0.186 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCN(C)CC3)CC2)CC1 1835713047 MSEZNJYTOZDYJL-JOCHJYFZSA-N 463.667 0.769 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)C[C@H](N)c5cccnc5)CCO4)C3)c2c1 1835834620 OYMZBXYCGNWMDG-CPJSRVTESA-N 489.536 0.990 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2)c1ccc(O)cc1 1836139347 KWCXJDJDKUHEEP-RDPSFJRHSA-N 467.526 0.637 30 20 JCED Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1836304716 JBTNXZBIDCNGQD-NRFANRHFSA-N 450.459 0.245 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836350709 NMSAVAHQTVHFIN-HXOBKFHXSA-N 490.561 0.572 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1837446766 ONLSPGSPMLOLQH-PODSUIKTSA-N 482.541 0.877 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1837486337 BEGUXVDEOYWBFY-UXIGSVSMSA-N 462.587 0.940 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1837525318 UKHGJYCFBHHTAP-NNSWWULUSA-N 480.562 0.374 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837563385 XYPMYKZMRXBTAK-CQHUQFDMSA-N 466.538 0.869 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1)c1ccccc1 1837613231 YOARKGLAFOVRFL-PXDATVDWSA-N 467.570 0.480 30 20 JCED C#CC(=O)N1CCC(OC2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CC2)CC1 1837999349 PZFJSKYTLSZESV-UHFFFAOYSA-N 466.542 0.811 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccccc4-n4nccn4)C3)C2)c1 1838739035 JDLCHGNXUFRJFV-HSZRJFAPSA-N 461.482 0.851 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1839174020 AVOMUAIVYMVTMK-HSZRJFAPSA-N 460.531 0.727 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1839174614 NJUMEFZKGMZCMJ-NRFANRHFSA-N 464.544 0.535 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)cc1Cl)CCO2 1839257568 OPIJKRQHMHVOHD-JOCHJYFZSA-N 472.885 0.684 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839274303 REXBUXZBEKBYJF-GCJKJVERSA-N 463.487 0.944 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)cc(C(F)(F)F)c1 1839443074 PXZXEBVJKQIVCV-FQEVSTJZSA-N 478.431 0.939 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1839621294 NXFPGNIDKIPVMS-XMMPIXPASA-N 475.590 0.771 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839724188 MHWQKIRIAAGNIY-LOSJGSFVSA-N 486.569 0.622 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840009849 XLIMXNRFMPOMGF-YRUKQIKQSA-N 491.541 0.178 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4[nH]nc(Br)c4c3)C2)C1 1840042388 SASQLGGUMLTDBG-HXUWFJFHSA-N 491.298 0.483 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049857 PHECTKZNAIFYDM-QHXINNDMSA-N 451.520 0.539 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1840108036 LWEMRQOEAXQWAJ-HYFFOGBASA-N 455.552 0.683 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1)NC(=O)OC(C)(C)C 1840795540 NRDXLRKSRJMYAM-GAJHUEQPSA-N 492.577 0.745 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1)NC(=O)OC(C)(C)C 1840795541 NRDXLRKSRJMYAM-SBUREZEXSA-N 492.577 0.745 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840807773 SYNNOHLCEZIHFT-FDDCHVKYSA-N 460.531 0.482 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820286 IEMRDPZOMNRISO-HXOBKFHXSA-N 475.498 0.955 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1840907105 PEPJTVHZWJRUKJ-WVMBUTMQSA-N 491.541 0.686 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1840916130 ADEVKRONRJYHIJ-RHGYRFJNSA-N 499.605 0.698 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1)c1ccc(O)cc1 1840921988 CIPJJIYAURAYDT-MBSDFSHPSA-N 458.515 0.014 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842882120 RCQRMAZBVWFEQG-SFHVURJKSA-N 483.573 0.681 30 20 JCED O=C1CN(c2cccc(C(=O)N3CC4(CCCN4C(=O)/C=N/O[C@H]4CCCCO4)C3)n2)CCCN1 1844299682 KVFPLJXZPGTXAH-RVWJGDDESA-N 484.557 0.754 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OCC)C2 1845132144 HUGAHIRPLLPJHB-SJORKVTESA-N 480.562 0.951 30 20 JCED C[C@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196863 XNJHXCKEYKFFLH-DEOSSOPVSA-N 462.506 0.691 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C#CC(=O)O)=NO2)C1 1847289491 AROQOGYOADXWSU-HKARXFIJSA-N 474.514 0.822 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CC(O)C1 1847515656 VVAIGXHIFIUUBP-CNFALQKSSA-N 480.562 0.765 30 20 JCED C=C(C)CNC(=S)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 16308818 VASRYQLKIDKFAB-UHFFFAOYSA-N 455.544 0.499 30 20 JCED C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 18662640 VSPLJASZJZYUBY-YOEHRIQHSA-N 483.568 0.194 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C1CCN(C)CC1 516832369 SMGIUTOROGUZLX-UHFFFAOYSA-N 470.551 0.171 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 523477883 DUJZAUPKYSSHNX-UHFFFAOYSA-N 497.621 0.572 30 20 JCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 604145629 PJEYBWDZODTZRC-UHFFFAOYSA-N 462.466 0.633 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(N)=O 608911002 CAWIAHCHVAHSDT-UHFFFAOYSA-N 451.335 0.827 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3CCS(=O)(=O)CC3)nnc12 642252830 OHYIUMJDCNYICG-UHFFFAOYSA-N 476.584 0.169 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 728536331 WAVUEACYXOLGAL-QGZVFWFLSA-N 482.990 0.305 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1C 729671486 PFYMYEMNFWLNKS-UHFFFAOYSA-N 489.619 0.833 30 20 JCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 749009328 KGZRVBZERRIEKE-UHFFFAOYSA-N 458.544 0.600 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 901673229 HYKBLQMVUSNIFW-AWEZNQCLSA-N 494.526 0.713 30 20 JCED CCN1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1296184114 JEJIFJLFLZMXNM-RBUKOAKNSA-N 467.578 0.928 30 20 JCED N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)CC2)c(F)c1 1464729757 TZAWUMMJMAGFEI-UYAOXDASSA-N 450.536 0.528 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@@H]1C 1519164529 JKIMPKKJDBDUGK-ZWOKBUDYSA-N 470.596 0.529 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C 1539600902 WKIBBFXJWXYDNF-OLZOCXBDSA-N 477.385 0.187 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 1541513964 KMXMWPOYHNTPPV-YLJYHZDGSA-N 470.596 0.529 30 20 JCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1554482747 JQIHHPLEUOTDBH-IBGZPJMESA-N 450.547 0.696 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1593887206 XWNOSLKGIBYORG-RVKKMQEKSA-N 461.972 0.748 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1696634168 XZGITLZTKDNGBA-QGZVFWFLSA-N 460.564 0.267 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)CC1 1697024049 VYIYNRZFJDMHQF-UHFFFAOYSA-N 459.576 0.667 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCOCC2)C1 1722555497 LKKDDXNYSLXEAH-HNNXBMFYSA-N 461.972 0.749 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(N2CCOCC2)CCSC1 1751215786 UZGONJJPSAIANS-ZYSHUDEJSA-N 487.627 0.538 30 20 JCED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1=O 1771127452 MLJGTIZJYASSLT-KRWDZBQOSA-N 460.560 0.792 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1777997982 LECMXWBKFKZBHL-YGKZAACZSA-N 479.530 0.224 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCOCCOCCOCCOC)CCO2)C1 1778978150 DHBCXRZHIBIZAS-GBXCKJPGSA-N 486.606 0.476 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779068279 YDYHUDOTCZGTGB-KBMIEXCESA-N 493.601 0.791 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NNC(=O)C3)C2)c(O)n1 1779304774 ROZZIUDDDAMIJE-WZONZLPQSA-N 455.515 0.909 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1)NC(=O)OC(C)(C)C 1781251797 ISRRWYKEUSAFRF-JKSBSHDWSA-N 452.552 0.810 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1781489171 YUIAOHAPZHUHHX-DMJCMNNJSA-N 484.601 0.996 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CNC(=O)C(F)(F)F)CCO4)C3)c2c1 1782197622 AZDCHFUHHBQYNA-LJQANCHMSA-N 464.404 0.557 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2 1783135267 WVTVVEAJZWXUCN-KIFXHHALSA-N 472.542 0.102 30 20 JCED O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1783247913 HXBLPZIXIZWWGG-DIIINEDVSA-N 498.627 0.890 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncn(C)n1)C2 1783268992 VIGXQIRHIHPPSH-SEPYTNNBSA-N 474.562 0.859 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783995349 PKQSSFLBCJJJPW-FPSMNIFISA-N 470.567 0.653 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088395 NDNSKEDLISKMMW-HTAPYJJXSA-N 485.603 0.817 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784604501 YCQZXGRZFMYOPO-WHSLLNHNSA-N 463.539 0.533 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4C(=O)C=CC4=O)[C@H]3C2)ccc1F 1784804641 MEGVOIKOQNDFLM-QRFRQXIXSA-N 468.485 0.535 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)NCC(C)C)CCO2)C1 1785575197 ZVKZEJJCIHDEAG-UZUQRXQVSA-N 464.563 0.505 30 20 JCED CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787391596 MGLWSRVBIKVODF-QAETUUGQSA-N 483.587 0.701 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]2C1 1788780437 ZEGTXMCIXLXHIK-OMZCGLGVSA-N 494.589 0.034 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)CC1 1789344839 ILJWOGKIFSRDPL-LNLFQRSKSA-N 463.560 0.151 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789706141 LDFISGUZIKCRJG-SAKMYQHLSA-N 495.454 0.219 30 20 JCED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1)C(=O)O 1790328196 REFMYWGEHVWWQU-PLYYQAHHSA-N 454.487 0.091 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(=O)(=O)CC)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791378074 LTTLYWALRMJNJK-VJANTYMQSA-N 499.630 0.966 30 20 JCED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792558806 DMVOVYINVRHJMV-RUMRUAAYSA-N 459.543 0.760 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnccn1 1793138887 IPROZMVTTFFQBJ-WQDJSCAQSA-N 457.531 0.525 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)O2)ccc1Br 1793419119 QUJMVYLDWZXACP-XRGAULLZSA-N 463.288 0.632 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C)NC(=O)OC(C)(C)C 1794572925 WSVBFEGZXQUQTQ-DFGXFYAUSA-N 462.551 0.878 30 20 JCED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)C(=O)OC(C)(C)C 1795338711 MHZOZGWKGXLQHH-NKFKEYGXSA-N 468.551 0.972 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795636167 UBEDZYUGRVDCDL-OYNZLANYSA-N 481.594 0.028 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCNC(=S)NC)N(C(=O)OC(C)(C)C)C1 1797759743 GIJKHYIPHIYDAN-ZMMAXQRCSA-N 495.646 0.626 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1F 1799178618 IYTKPZKVDMIBQE-RFSXOUPVSA-N 498.552 0.740 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2 1799305704 ZVGSBHVMEDPVHM-UKBAYJJMSA-N 497.589 0.750 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CS(=O)(=O)N3CCCC3)C4)c2c1 1799882363 KWKZHAPZBWXQOH-CWPLJXCYSA-N 486.554 0.063 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1800800235 XGJBCVAVEGULMG-JYYAWHABSA-N 466.535 0.582 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCOCCOC)C(F)(F)F 1800848866 FZIOLAGSUILBEQ-ALXJQNPVSA-N 468.469 0.391 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1)NC(=O)OC(C)(C)C 1801440625 BZYIAMQJWFLWBY-LVEJAMMSSA-N 477.566 0.683 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801531470 MYACMNHOKQSZBK-AJYBTWMASA-N 499.630 0.708 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@@H](C)C#N)c1 1801763593 GNLIULYSDFSWAG-QUZHHRDCSA-N 478.553 0.987 30 20 JCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1801883344 KOPTUDFLUYFSMF-VTYHHJSWSA-N 489.594 0.877 30 20 JCED CC(=O)NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801990327 SXFDEWFPCACNNL-CIAFKFPVSA-N 496.564 0.818 30 20 JCED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCOCCOCCOCCOCCOCCOC 1802092802 VPCRAENYVYPMRL-KOUNCHBCSA-N 484.590 0.377 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1802124621 CMYIJISETKJAGD-MVJTYMMSSA-N 485.541 0.300 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)OCC)C2 1802124785 IDTMLCKZSLOZFS-DLVMUIOHSA-N 463.531 0.612 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)CC1 1809599331 LBNUAZHQPXYLKI-KRRIGJFZSA-N 455.607 0.807 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1817056332 AOAWFAZNZWRVCB-OCCSQVGLSA-N 478.527 0.779 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819424341 RQCBPFAHSXXECK-INIZCTEOSA-N 456.503 0.652 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828520955 LXPKGJYVLPREEY-VGSWGCGISA-N 465.572 0.704 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCN2C(=O)OCc1ccccc1 1829138016 OTCFICPSAOLTPM-GBXCKJPGSA-N 470.526 0.223 30 20 JCED C[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC#N)C2)C1)n1cnnn1 1829396102 DBDPSXCHLVGLPS-MBSDFSHPSA-N 480.529 0.990 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)cc1 1829631575 LLOXLXKPYKIANM-HSZRJFAPSA-N 451.483 0.757 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c(C)noc3C)C2)C1 1829764805 WGGDJRFXSWRSGZ-SJEJWHSFSA-N 460.531 0.539 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 1829771496 SBKYQVXVJASYND-IYZQMXKPSA-N 490.488 0.591 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)cc1 1829906400 ZDIIXHSRKRVROK-HSZRJFAPSA-N 467.482 0.132 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907239 CEMRDPBANZTCHX-DEOSSOPVSA-N 450.495 0.779 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c(C(F)(F)F)n1 1829949981 LISWXFMTFAFNTO-SZNDQCEHSA-N 495.458 0.568 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1830885984 PQOJCZZDESWXIP-CYFREDJKSA-N 475.542 0.435 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1831401989 KYRIQSIQQGBHEO-JLHGSKIFSA-N 453.536 0.394 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(Cc3ccccc3)C(=O)OC)C2)C1 1831402251 RSQWXXMFLTUMRJ-NBGIEHNGSA-N 487.553 0.750 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1831437727 HFFPNLIQIDOAJI-FDDCHVKYSA-N 467.563 0.902 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832208237 JZPUSIUYZUOTNQ-VGSWGCGISA-N 458.519 0.689 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2)C(F)(F)F 1833401463 PIOXGMPBCOIPDN-SFHVURJKSA-N 477.461 0.674 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n(C)n1 1833443586 ULHFRIFYCVEHBL-WCNTUGILSA-N 465.507 0.028 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833464049 LMVIANDLBCKMBK-PXNSSMCTSA-N 480.606 0.482 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797703 YCHGORREOAJOTD-UHFFFAOYSA-N 485.545 0.112 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c1Cl 1835514762 WDNOUDDREHRSKR-LJQANCHMSA-N 451.936 0.908 30 20 JCED Nc1n[nH]c(CCC(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)n1 1835666480 IWASGPDMTOBQDT-LFVJCYFKSA-N 459.599 0.363 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1835674737 LFHWOFRLMRNUFQ-HSZRJFAPSA-N 454.531 0.915 30 20 JCED Nc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cs1 1835796000 RJSDWXSLANSLDQ-FLSHMKOJSA-N 453.521 0.324 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836994650 NWIWJKISANHISY-XIEYBQDHSA-N 473.574 0.772 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836994864 WRLWXQTUOHMKFK-MQHZAWOVSA-N 490.557 0.829 30 20 JCED O=C1CN(CC(=O)N2CCC(OC3CCN(C(=O)C#Cc4ccccc4)CC3)CC2)C(=O)N1 1837075698 RNCBJYKXLYGBOR-UHFFFAOYSA-N 452.511 0.589 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)(C1)C2 1837493529 JFGYHXHDBRWIPY-OOEPIQFGSA-N 474.554 0.485 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529708 CHWWSVSUHWWYSX-RLQCNVNWSA-N 493.557 0.727 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1837531033 BDHWMFCGMDHILJ-OMJZWIOZSA-N 450.467 0.820 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838067363 KNHUVDMVUKTTPG-SPGMVNHYSA-N 467.567 0.961 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1838531865 LGECTNZHPJJMJL-NVIZVJJSSA-N 471.535 0.956 30 20 JCED COc1cc(OC)c(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1838553198 PPDIFMNWUNYTON-NRFANRHFSA-N 450.419 0.001 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc5ncnn5c4)CCO3)C2)c1 1839049045 GPFXGAMENJNSEM-DEOSSOPVSA-N 460.494 0.914 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839130645 KUNRQKUKMHXXGJ-HOYKHHGWSA-N 494.589 0.228 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(OC)cc4C#N)CCO3)C2)n1 1839133094 YZQCKHYWMRWWBJ-VWLOTQADSA-N 497.552 0.722 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839237497 MPKUDVJOIVLMDJ-FDDCHVKYSA-N 492.577 0.594 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Br)ccc1[N+](=O)[O-])CCO2 1839319132 RNKCBRVJSDWVPD-LJQANCHMSA-N 496.270 0.515 30 20 JCED C[C@@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCO2)C1 1839443620 QQENGDSLVXBGME-JLTOFOAXSA-N 468.432 0.782 30 20 JCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1839880442 QMVSCXIKYOVVNZ-QKKBWIMNSA-N 493.358 0.915 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C[C@@H]2OCC[C@@H]21 1840035911 KIFPNFNUHAECBS-GSRZOBFVSA-N 492.573 0.771 30 20 JCED CC(C)(C)OC(=O)NCCCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040103 NYRTXTZKHZIOBD-QFIPXVFZSA-N 467.519 0.226 30 20 JCED CCOc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1OC 1840044484 YOALQQSEAZQLIT-QHCPKHFHSA-N 460.483 0.181 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1840162940 ASQXUEUAZVIBSP-VNBZBWLYSA-N 462.494 0.918 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@]3(CN(C(=O)[C@H](C)S)CCO3)C1)C2 1840163753 NSNIKXJBYWZQPN-WCJKSRRJSA-N 480.587 0.397 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1cccn1 1840442422 DGZNAMJXOFGYKY-WAIKUNEKSA-N 463.498 0.962 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840771585 GFQDDGIWKKNLDP-OYHNWAKOSA-N 459.524 0.504 30 20 JCED CCc1nn(C)c(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c1I 1846195337 DRBTXGSHCBZMKW-UHFFFAOYSA-N 470.267 0.492 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cc(I)c(O)cc1O)C2 1846196623 VWGQLTSDTQJJRF-UHFFFAOYSA-N 470.219 0.607 30 20 JCED Cn1nc2c(c1C(=O)N1CC3(CCCN3C(=O)C#CC(=O)O)C1)CN(C(=O)OC(C)(C)C)CC2 1846196747 JWAOZQRUQMNWQR-UHFFFAOYSA-N 471.514 0.618 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(-c2ccc(F)cc2F)c1=O 502051761 RBTYIPREZXHAJL-OAHLLOKOSA-N 471.489 0.709 30 20 JCED COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 514460839 ZCVMWBBZTVKFEA-HOTGVXAUSA-N 452.533 0.444 30 20 JCED CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 516404199 CQDHORMBEUGBQW-UHFFFAOYSA-N 469.523 0.732 30 20 JCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)cc1 522075754 CIQYBDDQKVIDEN-UHFFFAOYSA-N 457.552 0.929 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1cnn(CC)c1 523580998 MVWCZSCUYFTKJV-UHFFFAOYSA-N 467.507 0.609 30 20 JCED COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccc(OC)cc3)CC2)c1 570120285 QTCHWLFUJMTSGZ-LJQANCHMSA-N 469.454 0.961 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CCNS(C)(=O)=O)c1=O 608912848 HAQHKGSVDDWXAQ-UHFFFAOYSA-N 498.586 0.609 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cccc(C(N)=O)c2)cc1 726727334 UWSNXHKGUBCUND-XHPQRKPJSA-N 471.539 0.896 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnnn2-c2ccccc2)cc1 730681488 JQNAMVXEANMIFM-XIEYBQDHSA-N 482.526 0.730 30 20 JCED C#CCNC(=O)C1CCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)CC1 747823077 JIKVRYRDEHOJGQ-UHFFFAOYSA-N 460.512 0.448 30 20 JCED CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 823975219 XVNTZROGHNTMST-GOSISDBHSA-N 499.659 0.871 30 20 JCED Cc1oc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c(C#N)c1C 824654199 LJCMOGIHDIMITM-UHFFFAOYSA-N 450.473 0.923 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 920467447 QWRZCZMEMSFPEK-QGZVFWFLSA-N 457.508 0.653 30 20 JCED CCC[C@H](C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1306550250 DQISNHHCMGLFRH-JENIJYKNSA-N 477.635 0.909 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)OCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 1318049964 JJFKPDVTRBNMRH-MISYRCLQSA-N 489.550 0.649 30 20 JCED CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1554505113 ITJDUGKTQMIYIR-UHFFFAOYSA-N 471.522 0.622 30 20 JCED C[S@](=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1555823660 WMWAUSVJLLJYJG-NQUPLYSKSA-N 470.621 0.652 30 20 JCED Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)N1CCSCC1 1612598435 LLTBJHBMGQHGPK-UHFFFAOYSA-N 462.605 0.558 30 20 JCED C[C@H](CC(=O)NCCN1CCN(c2ncccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1640969455 WYEOIBXIDILNLE-MRXNPFEDSA-N 457.560 0.232 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1712103191 UEYHLYVIEQDYLE-UHFFFAOYSA-N 461.548 0.003 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccn(C)n2)CC1 1712107507 UWZQGNHRUHEYFA-UHFFFAOYSA-N 450.503 0.806 30 20 JCED COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1712423224 UYUKHSLRDDPMFM-KRWDZBQOSA-N 461.592 0.865 30 20 JCED CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1729633853 VOAJSEMJMLKJMM-SJLPKXTDSA-N 489.602 0.971 30 20 JCED Cc1ccsc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1742078435 OFBOUVSIPUATNQ-LSDHHAIUSA-N 452.562 0.758 30 20 JCED Cc1nccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1751811693 XBJINOIEXVIFLT-GOSISDBHSA-N 462.580 0.946 30 20 JCED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 1767509893 JVMCCYWUSQQGSL-JOCHJYFZSA-N 473.603 0.649 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@@H]3F)CCO2)C1 1778920888 GNVCZIIHYWISIK-MKFDZEHOSA-N 498.552 0.980 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779068111 RWRDDWJABGMUJY-MBSDFSHPSA-N 465.547 0.358 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C/N=C/c3ccco3)C2)CC1 1779444450 BQKLSUPKOCVXLN-ODMQBNIASA-N 494.614 0.884 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779874338 YVHSXYSDTNDKLS-WNSKOXEYSA-N 488.545 0.488 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780156716 UPPARWFZYWTJOG-DEOSSOPVSA-N 474.510 0.789 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2)N1CCN(C)CC1 1780638980 UGHPGPDQAPKCQD-YZJJBPHESA-N 459.591 0.848 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781302193 JMJAVFNNFQCNFR-ZJSXRUAMSA-N 482.516 0.540 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793582 NARYILVCZLKQLS-NZQKXSOJSA-N 457.483 0.691 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cc(C)c(O)nc4=O)CCO3)C2)c1 1782061089 YOVONIREFXMUIY-HSZRJFAPSA-N 451.483 0.581 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1 1783126981 HBBRUQWMNZLGQX-DNVFCKCGSA-N 456.547 0.665 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)c1ccc(O)cc1 1784013360 DLKJTCFVQUGMOF-MFSJNOQSSA-N 457.527 0.782 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](Cc4cnc[nH]4)NC(C)=O)C3)C2)c1 1784372105 MLNQFVVTFRZBRK-ZJSXRUAMSA-N 480.525 0.481 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785244324 HTLFBGFGWVFAMS-HSZRJFAPSA-N 490.582 0.701 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785518056 YEMAXJKECQURSE-SEPYTNNBSA-N 483.562 0.864 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1785596275 ONMFSECKZBCSTI-ZGNKEGEESA-N 495.646 0.770 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1785598627 UXNAXHDQCDCTQD-MQNAVGNWSA-N 474.562 0.968 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785631441 UILMCWYLQUSJSP-BTYIYWSLSA-N 453.540 0.344 30 20 JCED CC(C)(C)OC(=O)NCc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1785711642 HYULSXXVIURFCN-LNLFQRSKSA-N 486.525 0.788 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1)C(C)(C)S 1787094267 OSVZFYOJJMFJBQ-QBYUYEEZSA-N 497.622 0.255 30 20 JCED CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#Cc5ccccc5)C[C@@H]43)CC2)CC1 1789805098 OVRSXLVILCRFOD-VABKMULXSA-N 450.583 0.798 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1789890012 CMSCDATWDOMSEC-FJIDUMEYSA-N 483.562 0.361 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791071217 YXFMVNOYXUJLJF-TURABVPUSA-N 461.515 0.454 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1792258947 UZSIVMFIMJCMLI-OYSTVDSJSA-N 497.614 0.460 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1-c1ccncc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c1nccnc1C(N)=O)C2 1793598999 LAKVLLILRSQMAF-QKPAOTATSA-N 488.545 0.248 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nnc1C 1795981765 YOMNZXILYDVNON-DJSSIZSOSA-N 460.535 0.786 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798921808 UDXZJYJTMLPPPH-RDGPPVDQSA-N 458.515 0.647 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1799365402 ZAPNGPQBDXKFJR-TYYZAFGHSA-N 498.577 0.381 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(C(F)(F)F)c1 1799785278 AUOZMGRLMAACOQ-CXHZTBPHSA-N 484.431 0.845 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCCS2(=O)=O)c(Cl)c1 1800393757 KVIJVXAPCJQBMJ-LTCOOKNTSA-N 451.932 0.992 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cnc3ccc(Br)cc3c1=O)C2 1800450407 GLBSMHLMUBAVRX-VTEUUUEMSA-N 473.327 0.772 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 1800733012 SQVCYAYINFCHDX-WSRGUFLPSA-N 491.585 0.639 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1800736845 AJKRJBYDRKOGEK-BCPGGHEJSA-N 461.559 0.727 30 20 JCED CC(C)(C)OC(=O)N1C2CCC(CC2)[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779170 WXEKFUDBVYABOY-OWLYLJIXSA-N 475.542 0.842 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@@H](C)C#N)c1 1801766382 RMPQIODSSCROLJ-GYWCDFCBSA-N 462.572 0.845 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)ccn1C)C2 1802125687 NOXRUKAJPDPWBS-WQDJSCAQSA-N 472.542 0.505 30 20 JCED CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1 1804890614 OWZRTLLCHSGQNI-YWZLYKJASA-N 456.480 0.288 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807357112 DIIHIMWRMMODMI-OXQOHEQNSA-N 479.497 0.642 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CNC(=O)c2ccco2)[C@H]1c1cccnc1 1807585771 NRXLRJKCAVCNHB-PWPXAWQVSA-N 465.510 0.969 30 20 JCED CN(CC(=O)N1CC[C@H](CNC(=O)Cc2ccc(F)c(C#N)c2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1808559198 BLQATZFDTMOQFT-VGSWGCGISA-N 481.484 0.884 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CCC(N)=O)C2)CC1 1809686893 KVCRXNBZIKNMFD-ZWKOTPCHSA-N 477.606 0.727 30 20 JCED Cn1ncc(Br)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1817915471 OIOQRJOCPZMMMR-QMMMGPOBSA-N 452.290 0.953 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829124982 UEYNERBBCDZFKA-NYHFZMIOSA-N 473.555 0.633 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1829267623 VTGDKJWOVPPPDG-QHCPKHFHSA-N 450.499 0.754 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1829335194 WUCKPKJEIGWPHS-DEOSSOPVSA-N 493.476 0.336 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829373203 KDZGPZBYDOBDEQ-YADARESESA-N 452.511 0.598 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c(Cl)c1 1829958966 CBNUXOHTCXKXGA-OPAMFIHVSA-N 460.918 0.808 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830972662 XGMKIQXHCKRRGN-HSZRJFAPSA-N 451.483 0.426 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c(O)cc3O)C2)C1 1831398372 AGXMVFFNEGWWKP-QKKBWIMNSA-N 452.891 0.860 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)C2)C1 1831403183 YRSHQPHVESSSLV-KSFYIVLOSA-N 498.985 0.852 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1831434216 UBYZSVZDHPJMNP-YDLHNXBPSA-N 497.589 0.404 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487779 JOVSMSWXYBCGOR-JOCHJYFZSA-N 463.619 0.591 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)Nc1ccc(Br)cn1)CCO2 1833026944 AXEMSNXRFKUKJX-HXUWFJFHSA-N 479.331 0.652 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CC2)CC1 1833469432 WGYHWLGPNJBWBH-HTAPYJJXSA-N 472.590 0.067 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833514457 KSSNRWQGODDNSA-OALUTQOASA-N 491.589 0.583 30 20 JCED CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1C(=O)O 1833608601 MVYMIHWUHOFZTP-HPTBBYBNSA-N 490.561 0.704 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833615379 SHWKUKASSZBDLS-CYFREDJKSA-N 489.573 0.789 30 20 JCED O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833786091 GOCGRRCWWKMQRV-SGCYSOCQSA-N 491.549 0.892 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834598918 LJTXZSKJQVUEIE-HSZRJFAPSA-N 453.451 0.660 30 20 JCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1834602705 LJCXEBPQHRGCCC-HNNXBMFYSA-N 456.547 0.868 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)OC)CCO3)C2)c(O)n1 1834850290 HLHJTPPLVHPRNV-QHCPKHFHSA-N 461.515 0.929 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCCC2=O)CCO3)ccc1F 1835412164 UVELGRCXHVWAEX-QHCPKHFHSA-N 458.490 0.319 30 20 JCED Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c2c1CCC2 1835677638 SPGKWCBPXRJLHI-HSZRJFAPSA-N 458.563 0.261 30 20 JCED COc1ccccc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682217 BYCXCUVSHIPNBU-DEOSSOPVSA-N 458.559 0.976 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1)c1ccccc1 1835743833 PVOJESDLPWHUPD-WATLYSKOSA-N 470.570 0.233 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)C(=O)O 1835756099 CJWCMKQHHLDOKT-YWZLYKJASA-N 499.446 0.105 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1cccc1C=O 1835953776 GTQQGCKYARXIBO-MBSDFSHPSA-N 459.547 0.600 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380965 PUFPZKXZXWMVJE-AUUYWEPGSA-N 457.574 0.015 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836393072 KWKJUTBRAOBFCB-QFIPXVFZSA-N 455.519 0.081 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3C)OCCO4)CCO2)C1 1836460008 CWTFOMUKYHUMTD-HOYKHHGWSA-N 458.511 0.875 30 20 JCED CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CC1 1836675967 PCVJHJXBUDJIOB-XMMPIXPASA-N 455.559 0.070 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1836843803 TYPWJTYXZQJJIJ-KRWDZBQOSA-N 485.651 0.595 30 20 JCED N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1ccccn1 1837527506 NWGMROGUJJUBIH-PDKBDGBBSA-N 461.519 0.067 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1837531477 NOHLOWVXTXXMNN-YNKHZBRRSA-N 467.910 0.729 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1837606406 SHYYSIZNRXGNDO-MHECFPHRSA-N 471.558 0.820 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(-n5cccn5)nc4)C3)C2)c1 1838738158 UEIONVJSNJLOTR-HSZRJFAPSA-N 461.482 0.851 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)nn1C 1838833610 FGYMNVFGFRVDQK-IOUFHMPJSA-N 474.539 0.999 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)CCO2)C1 1839136202 MMPUYRUREKHEIH-SBUREZEXSA-N 475.498 0.641 30 20 JCED Cc1ccn(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n1 1839186562 CAFYRSVNZWTQGQ-QHCPKHFHSA-N 455.490 0.901 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839194309 FSUBOIPKUKNKDT-JPYJTQIMSA-N 485.578 0.311 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)cc1 1839363149 LCYBCGCNHTXGPK-XMMPIXPASA-N 463.494 0.856 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5nc[nH]c5[N+](=O)[O-])C4)C3)c2c1 1839487933 MNJVFVGPMXMOMT-OAQYLSRUSA-N 480.441 0.450 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c(O)cccc13)CCO2 1839605199 HSOKTDFXYMBKIC-KBDOHKNDSA-N 480.521 0.869 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839668508 WBKIGKIIEPHNON-OAQYLSRUSA-N 450.492 0.000 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1OC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]31)CCO2 1840011313 SXNVWACFMPMOAQ-KYCQWFEFSA-N 491.585 0.738 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840055242 MAFAUTDZPIQEDN-WIEQDCTASA-N 489.591 0.218 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1840108308 OXJGHQJUHASOEX-PRCFCKQXSA-N 482.578 0.437 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840272222 MHFLHGXMIMZMQK-AJGMTHFWSA-N 493.601 0.911 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)n1cncn1 1840417350 OXEXNUZOWXEYOI-XOBRGWDASA-N 493.446 0.895 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)ccc1OC)CCO2 1840687212 BGZSVBZFMQDKPC-FUMRIQNTSA-N 461.490 0.763 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1 1840912389 FUICXEOOBMPFII-URZJWIJPSA-N 451.520 0.501 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1847068813 GPAFKUWFXZTTDI-HOTGVXAUSA-N 470.592 0.434 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C#CC3CC3)c2n1 1847746556 JGHITSWVCUVYPL-HOTGVXAUSA-N 465.514 0.742 30 20 JCED C#CCNC(=O)COC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 19044494 HSWGYZWSLFWOPW-UHFFFAOYSA-N 485.500 0.749 30 20 JCED CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 514337081 UCKJDNYACSIPKS-QGZVFWFLSA-N 454.574 0.453 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc(CC)n2)c1=O 516828847 OAXMDECFKACKLH-UHFFFAOYSA-N 459.597 0.066 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCC(=O)N4)CC2)cc1 517108824 AWQROXAPOBHCEE-UHFFFAOYSA-N 467.507 0.915 30 20 JCED COc1ccc(OC)c(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccnn3C)c2=O)c1 522535237 WGGPTQIOXGNHPW-UHFFFAOYSA-N 465.535 0.775 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(C(N)=O)cc1 523256662 PYJAIMOIPILYAF-UHFFFAOYSA-N 476.514 0.756 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2F)c1=O 603793170 RZIATVVSHGXNFL-UHFFFAOYSA-N 460.506 0.325 30 20 JCED C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(=O)N(C)CCC#N 729628992 WBAWSLMRUWWQJM-HNNXBMFYSA-N 452.533 0.691 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCS(C)(=O)=O 729671928 XLVUGLIRWHYALD-CQSZACIVSA-N 496.632 0.476 30 20 JCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@@H](C)N1CCOCC1 729885336 ZUIRIRPVVSPLRN-DBPDSBIXSA-N 465.576 0.663 30 20 JCED N#CCNC(=O)COC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 731233789 QJWCJJPCZSQGBS-UHFFFAOYSA-N 486.488 0.639 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 744990833 QWNWTYUZZAXADF-SLUIBLPYSA-N 490.472 0.717 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)s1 750233491 ZYJSMAJBXUPROV-QMMMGPOBSA-N 454.324 0.732 30 20 JCED COc1cccc([C@]2(C)NC(=O)N(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)c1 863699677 CVYGMIUIQMHWDU-FQEVSTJZSA-N 457.468 0.232 30 20 JCED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1156592232 RAAFDWLOZXAJNU-FOIQADDNSA-N 456.524 0.748 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)Cc1ccccc1 1286969947 STKHTCUOKPWIFR-MJGOQNOKSA-N 489.602 0.865 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1 1503476854 PUXGMSYJAUGGAT-RXVVDRJESA-N 476.559 0.270 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCSC2)C1 1505141850 YBBMURVVYLQSHH-QFBILLFUSA-N 470.621 0.609 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C 1589406374 WWULGENBIUEOAE-OLZOCXBDSA-N 477.385 0.187 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CCO1 1690958693 ZYDSYMYOWDPLIX-HXUWFJFHSA-N 472.571 0.983 30 20 JCED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1708147522 QUAOMUMENLCSAG-NVXWUHKLSA-N 457.560 0.765 30 20 JCED CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1747416277 TXJCRRAESZGZCL-QGZVFWFLSA-N 457.560 0.862 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNC(=O)c1cccs1 1761499791 ZWQDLUVVRVCEEW-ZBFHGGJFSA-N 492.631 0.556 30 20 JCED CO[C@@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCOC1 1769773460 KCBQWJLIYPPBML-FXAWDEMLSA-N 468.580 0.547 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1769913096 WWCWZWVCMPMTFM-WOJBJXKFSA-N 465.507 0.954 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778754526 HSFRHSRBAHZQMN-DNVFCKCGSA-N 485.647 0.745 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nc(CO)[nH]c3c1)CCO2 1779017305 LGRNLAWUNRADNA-HPTBBYBNSA-N 454.531 0.970 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C3)ccc1F 1780756452 ATLBBPSOIVLBEX-YCRNBWNJSA-N 459.522 0.347 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782194889 KPJCLIUDGXNPQR-XXBNENTESA-N 483.481 0.373 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)ccc1Br 1783168947 SSBPEWSBBYSEKN-MGPUTAFESA-N 461.316 0.900 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1783277939 NUTPNJUDEWCHLX-YGKZAACZSA-N 494.593 0.756 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783759455 NITZLCXWEINHLA-HOYKHHGWSA-N 476.574 0.745 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1783767831 DUWRKSHVNYGKJT-ZHRRBRCNSA-N 483.635 0.770 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)CCO2)C1 1783900508 IBAOUZVMYNHMPA-ZMPRRUGASA-N 486.635 0.896 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1783994172 UBPYPKNJMIROKC-ONIAQPFYSA-N 461.519 0.365 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1)c1ccc(O)cc1 1784017835 UJGBBKJAJMIYGW-YIGJPRQDSA-N 468.510 0.317 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C[C@@H]21 1784482921 VULWOHKBKAPWGT-LQJIQPLVSA-N 463.556 0.258 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785370619 ISRMYUSLISSZCR-MWTRTKDXSA-N 478.546 0.967 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785518340 UHEBTFQMEQBNOL-VGSWGCGISA-N 451.520 0.686 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1785572591 NAIGBIXXKVFLOZ-KBMIEXCESA-N 499.568 0.558 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4CCOCC4)[C@H]3C2)c1 1786747261 PRKDCVNSMQMVSG-NYVOZVTQSA-N 456.543 0.882 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786793111 CANAOAINESQVNY-TUFLPTIASA-N 485.585 0.932 30 20 JCED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Br)c(C#N)c3)C[C@@H]21)C(=O)O 1786897885 XDHKHVSHWROTDD-IKICRFKJSA-N 493.358 0.977 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cnncc5C(=O)O)[C@H]4C3)c2c1 1788889393 MJEYIDLOGKNDNO-IXDGSTSKSA-N 475.465 0.830 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)[C@H]2C1 1789218706 NOCWVEMDXKUWGJ-LTFWAEOXSA-N 484.509 0.981 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1791103385 UPJKVLKXCWCZRP-QAETUUGQSA-N 466.535 0.726 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1792814829 ZVYHGAQXKYCTCQ-HATOLVCRSA-N 497.596 0.639 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)NC 1793285702 VBYDMRQNZGCLTC-VQQMMKBISA-N 472.542 0.583 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)c(C(F)(F)F)n1 1793611546 UQGSPHQGMFUDNC-DBWKPXFBSA-N 491.426 0.490 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)NC(=O)OC(C)(C)C 1795392157 IRBMYENZWMPMJN-QRXRQMIZSA-N 464.563 0.714 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795968477 FQOWQUARSUJOKN-NNNWTRQLSA-N 488.614 0.724 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](N)Cc3cscn3)c2c1 1796306239 VBYGZRUTUHMGGT-CSHUHZATSA-N 465.539 0.664 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](COC(C)=O)OC(C)=O)c(O)n1 1797784815 JXWPPROREWJAHN-JWWGGVBKSA-N 489.525 0.604 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798598709 BBTHTNYJEVHAJY-CYGHRXIMSA-N 471.514 0.455 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2 1799232836 FZMDAWYRYIAQPM-JTJHWIPRSA-N 478.590 0.799 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C#N)c1 1799803250 GCZBGNNPFZAYOL-NPDDRXJXSA-N 464.526 0.540 30 20 JCED CC[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778978 XHKUXCJUYCRRFO-UVSNUMOOSA-N 497.548 0.959 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800799811 JHKTULCETNHGGQ-NRUGXNMXSA-N 483.562 0.624 30 20 JCED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)ccc2F)C3)c(=O)nc1O 1801970941 AANOBEDGHWZKEG-CCWDJLKJSA-N 455.446 0.172 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801989909 WCECCBPOBSDRRQ-FEJSZKPUSA-N 498.561 0.780 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811187806 RZSDFXVPUPBOFW-JTDSTZFVSA-N 452.515 0.863 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827402369 VVKJLSSZDJIGPS-PNYYXPLCSA-N 486.533 0.575 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCN2C(=O)OCc1ccccc1 1828496111 LZDQTDDLPIMXPO-WIOPSUGQSA-N 495.488 0.853 30 20 JCED CS(=O)(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3(C#N)CC3)C2)C1 1828910006 XDWILAILNDZUJW-HSZRJFAPSA-N 488.566 0.787 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828968574 VWCRBFCTBBXSEG-WUJJJKGTSA-N 466.579 0.786 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330666 NRDSBHXWRQECOX-NLFFAJNJSA-N 498.536 0.441 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829634375 MEYAPASPMHWKTN-RUZDIDTESA-N 464.522 0.960 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)n1cncn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c3cccs3)C2)C1 1830042992 OUMJRPMCYOYAFC-YAQIIAKESA-N 464.544 0.215 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830342568 POWAVUZZARLFKJ-QHCPKHFHSA-N 460.531 0.509 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1)c1ccccc1 1830415407 SWTSDGSBAIQWJX-LUQKVYGDSA-N 451.545 0.858 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1830573736 NWYOXFVMKZBEEI-ZHRRBRCNSA-N 466.535 0.022 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)C(C)C)CCO2)C1 1830878426 ZEPVGSBVJBOLHE-HJOCRKTISA-N 481.590 0.929 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251781 XKBVKYFVPOAEMG-YVEFUNNKSA-N 470.416 0.371 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1)c1ccccc1 1832479164 BKKZZVQRGXQZAY-CPJSRVTESA-N 482.537 0.192 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)CNCP(=O)(O)O)CC3)CC2)cc1 1833106793 YYOOHDUMJWPOJF-UHFFFAOYSA-N 477.502 0.397 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(=O)oc2)CCO3)ccc1F 1834597239 ZIGOVFGLHUAEDL-QHCPKHFHSA-N 455.442 0.963 30 20 JCED Nc1c(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)sc2nccnc12 1834780010 JUPMUSSQISNZQY-UHFFFAOYSA-N 456.528 0.547 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835045878 QKUQMTSRLULSHO-FQEVSTJZSA-N 462.591 0.857 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)nc1 1835096738 IOCQZVUWEGKFKR-DEOSSOPVSA-N 483.546 0.607 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)ccc21 1835099289 FGMMSLVTRRBZEV-HHHXNRCGSA-N 488.544 0.999 30 20 JCED Cc1nccn1CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680636 ITHORIXDFQVFSI-HSZRJFAPSA-N 460.579 0.710 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4nc(C)no4)CCO3)C2)c(C#N)c1 1836072214 BEUYGLQSICCTSQ-QHCPKHFHSA-N 469.498 0.500 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)c1 1836130127 IPPZFPCNLNNNIF-HSZRJFAPSA-N 470.457 0.790 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837079582 SJQWPCUPSOABDN-UHFFFAOYSA-N 499.630 0.225 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837138965 OJBPMTNENPMVQJ-XMMPIXPASA-N 485.493 0.401 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837242871 MHQOMWSJHBQYGK-KCEHZKJRSA-N 465.547 0.855 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1837432535 GAZFCPALBZYBHM-NRFANRHFSA-N 472.680 0.929 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837443939 NIRSJCUXFVTYSB-WGBQGACBSA-N 455.519 0.500 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1 1837445186 IRDPOJUWLCGQDE-XMHVBLFMSA-N 461.567 0.575 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837526348 CUIVUWJRJJETQT-WCFTVZMTSA-N 452.533 0.671 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1837663152 RCZFCSQXQZOQKJ-JOCHJYFZSA-N 480.587 0.901 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838377993 WKIAEISCJZTZAP-GAJHUEQPSA-N 489.529 0.169 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)c1 1838581687 IEITWHRAHMMHQU-REWPJTCUSA-N 485.566 0.663 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1)N1CCN(C)CC1 1838598032 KWNFCUUXOLNIBG-MHECFPHRSA-N 490.004 0.918 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838796242 UEYCYRQSWQALST-SJUCLPJRSA-N 481.557 0.809 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c1 1838908989 FLKJPDVLAFBNRI-OAQYLSRUSA-N 474.564 0.489 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccc(F)cc1 1839038879 GJMWFLXQXRBISP-VWNXMTODSA-N 457.502 0.873 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131045 JIYZUGLSDHBRTI-RUZDIDTESA-N 486.569 0.872 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)nn1C 1839185911 QGUTVICFYOMROX-DEOSSOPVSA-N 469.517 0.981 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839373197 XMBDZBVJSVKSLT-QKKBWIMNSA-N 451.476 0.674 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810121 FDDPALYBMGHLCL-HSZRJFAPSA-N 473.530 0.374 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1839889594 DECKQXWAFJJAKB-HRAATJIYSA-N 491.532 0.930 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1839890576 HILYKTHVIPKBDJ-NRFANRHFSA-N 494.532 0.350 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C34CC(C(=O)OC)(C3)C4)CCO2)C1 1840005501 FZTCTRHOXKJZRI-XXBRFSHSSA-N 450.532 0.359 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)=NO2)C1 1840008254 CWMMCWSHRFAYBM-HSZRJFAPSA-N 491.545 0.512 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840166199 XUWSZVILQDIZLD-JTSKRJEESA-N 486.635 0.314 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1)c1ccc(O)cc1 1840220923 KJVBWWVTYNROEZ-MBSDFSHPSA-N 453.499 0.778 30 20 JCED C[C@@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840331780 FXXZHOMOECDYDJ-CYFREDJKSA-N 457.575 0.998 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813757 UAPFVDZHZYCZDI-SBUREZEXSA-N 480.562 0.676 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840830769 CCDBIAQEXURQBM-WZONZLPQSA-N 465.547 0.891 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840906506 DCNBZOYAIAWHLF-CYFREDJKSA-N 487.557 0.392 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1840908357 KDYSUUXIPKVDPB-SHNIVAPPSA-N 487.557 0.796 30 20 JCED COCCOCCOCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623815 GPIWFWCEDVFLKM-UHFFFAOYSA-N 485.578 0.223 30 20 JCED CN[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C(=O)O 1842953083 LMUIDDRRIMHLST-DZGCQCFKSA-N 472.608 0.854 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2nccnc2C(N)=O)C1 1844594943 YNICHCXATAXCKI-CQSZACIVSA-N 458.519 0.862 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C1 1846301719 NUHZSKUNOFIYMY-ZIAGYGMSSA-N 488.607 0.856 30 20 JCED Cc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)cc1S(=O)(=O)N1CCCCCC1 11457043 XFXPSUKAVXYINU-UHFFFAOYSA-N 459.528 0.931 30 20 JCED N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 14868548 XIIADBSPVXJMRY-OAHLLOKOSA-N 455.539 0.824 30 20 JCED NC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCC#Cc1ccccc1 478222888 DJUXULGXJRAAPN-GOSISDBHSA-N 457.508 0.538 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 514525212 YVIARLMUPZQKHI-UHFFFAOYSA-N 456.528 0.881 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(S(C)(=O)=O)cc3)c2=O)CC1 516372552 ILQLTWSMHCGMSE-UHFFFAOYSA-N 486.619 0.362 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCNS(C)(=O)=O 589160144 DEGXMGNVLFQZNB-UHFFFAOYSA-N 453.973 0.841 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C1CC1 590998827 ZSXWYJGCQZIKGQ-UHFFFAOYSA-N 469.523 0.104 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccccc2)c1=O 604270211 TUWCENISTONVKS-UHFFFAOYSA-N 490.541 0.911 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(N)=O 608911246 VNKLCVIOBHTMIW-UHFFFAOYSA-N 462.915 0.052 30 20 JCED COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 608911398 DKGVHBAYLVBSII-UHFFFAOYSA-N 464.459 0.698 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)C[C@@H](C)O1 608925170 UOCZZENQDRCDPM-IYBDPMFKSA-N 473.559 0.438 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(N3CCCC3=O)CC2)CC1 609196575 CGNWAPYIBIWSIJ-UHFFFAOYSA-N 459.572 0.478 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccncc3)c2=O)cc1F 609407801 AMPFZUQPJUXWIF-UHFFFAOYSA-N 493.564 0.693 30 20 JCED CN(CCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1)S(C)(=O)=O 726401400 NFYZNQWYFYGBQI-INIZCTEOSA-N 481.600 0.667 30 20 JCED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 730726059 XUOMWPKBIZXQKD-UVPKWBSNSA-N 492.583 0.989 30 20 JCED N#Cc1ccccc1OCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 748114011 ASQGEWLIHMKYBR-UHFFFAOYSA-N 488.478 0.922 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)C2CCCCC2)CC1 748156673 HANQSLMWDNIZDF-UHFFFAOYSA-N 476.555 0.631 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 769643195 ZISSZLCLTABBKD-UHFFFAOYSA-N 458.496 0.855 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 886321291 ZVQSPSUZHXVFMP-LNSITVRQSA-N 459.908 0.407 30 20 JCED N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 918293150 VYGXSJMAQHAEHZ-UHFFFAOYSA-N 473.467 0.969 30 20 JCED CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1313544421 IZYWXOHXUHUPBW-HNNXBMFYSA-N 492.581 0.704 30 20 JCED CNC(=O)c1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1314979716 PKWPUHGDJJRMRU-XOBRGWDASA-N 463.539 0.933 30 20 JCED CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)CC1 1502311066 LTGWQHFDAQXERC-SFHVURJKSA-N 474.635 0.828 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1516853654 UTYAKBSCLBWGKK-SFHVURJKSA-N 475.575 0.189 30 20 JCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 1538908159 UKJIVUUKTOZTBL-KRWDZBQOSA-N 453.565 0.970 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CS(C)(=O)=O)CC1 1541803823 NCKNAOSIZHYFQJ-CABCVRRESA-N 474.609 0.174 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1620179102 URFJDXJZNLNCOM-UHFFFAOYSA-N 489.602 0.579 30 20 JCED N#Cc1ccc(O[C@H]2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)C2)nc1 1645927058 WTJJZOJZPYSKGK-IBGZPJMESA-N 455.540 0.939 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOc1ncccc1F 1751226037 ICFBDMPOSBVULU-HOCLYGCPSA-N 478.554 0.678 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1778921843 VSTZOBPECZCUDP-HXOBKFHXSA-N 497.593 0.183 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)c4cc(C)on4)C3)C2)c1 1779123837 VKRJZFYNAMIZRM-QHCPKHFHSA-N 467.482 0.737 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781165145 BRYRCJNIHMTJQQ-SBUREZEXSA-N 461.515 0.601 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CCN4CCN(C)CC4)CCO3)C2)c(C#N)c1 1781173293 CCQMTYVFZWOQIB-RUZDIDTESA-N 469.586 0.577 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1781396976 XEFVZEMRSLYORU-DRSNIGMVSA-N 470.567 0.893 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1781401018 LGPIVVZOHSUNNB-VVBPWWLESA-N 483.566 0.386 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)CCO2 1783046809 VRUCZNMAGGJHTI-XZOQPEGZSA-N 460.531 0.996 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(C)=O)C2 1783268217 DRLOOBRTCLGPOD-IYBGNGRRSA-N 478.590 0.942 30 20 JCED CC(C)(C)OC(=O)Nc1ncc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)s1 1783567649 UTDSATJWMZVFIY-OAQYLSRUSA-N 478.527 0.951 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4CNC(=O)O4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089592 VIRFNXGCZOPXKA-WCJKSRRJSA-N 464.519 0.490 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784485600 QATNPFNONPVNMX-VMXHOPILSA-N 467.563 0.280 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1785225342 LAGGNAHNBLQYMJ-JOCHJYFZSA-N 480.562 0.955 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785607587 SAIFSFJYWFDKPE-VVBPWWLESA-N 468.551 0.176 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785669225 CPSJSZPDIZJTMM-HSZRJFAPSA-N 462.547 0.309 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1)NC(=O)OC(C)(C)C 1787428598 FZRRBYIUORWKGU-ATIWLJMLSA-N 453.584 0.112 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)[C@H]2C1 1788255507 SJVPWADBNHGLNB-IEZWGBDMSA-N 457.531 0.860 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1788577303 KRZPCBNDDRZROJ-AJNGGQMLSA-N 455.602 0.400 30 20 JCED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(F)c(C#N)c4)[C@H]3C2)CC1 1789907271 PQTSCCYBNNQBDC-RRPUWOKSSA-N 471.577 0.857 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327454 HBQSVEBWELYJPG-GIUOSPMZSA-N 497.508 0.523 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1 1790853202 HELZPVHVCCVQAZ-VJANTYMQSA-N 478.590 0.928 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H](C(=O)OCC)C1 1792954311 LSLNEQVKNOBETR-XSLPCHFOSA-N 461.559 0.804 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)Cc3ccccc3C2=O)CC1 1793050712 CPPZGPKFKWOKQJ-UPHUGPLXSA-N 450.495 0.495 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794086342 BDDPAELAXXZWRK-XMTFNYHQSA-N 489.573 0.873 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C3)c(O)n1 1794488567 IJMNMGFENRTHFC-OAFZBRQQSA-N 480.587 0.437 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794506526 JVSWKDAXVYYRSL-AYMMHLMVSA-N 486.573 0.412 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)[C@@H](C1CCOCC1)CN2 1795499947 KMPSRMVAHWLLDX-DSPLJNTKSA-N 467.522 0.914 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1799322455 KFPYRILZSNBWSX-NRUGXNMXSA-N 464.563 0.572 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800297970 JZSZMXYSXCWWDC-AWJHCHFGSA-N 457.571 0.803 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1800723036 CRHDFOOHTCFISA-CFIWVGBUSA-N 469.604 0.776 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2)NC(=O)OC(C)(C)C 1801928024 GBNVTHPACOJCLA-KMOPNRPKSA-N 481.594 0.882 30 20 JCED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)N2CCOCC2)C3)N(C(=O)OC(C)(C)C)C1 1802508842 CZMURRXZCUXJKK-KKXBDNRESA-N 478.590 0.841 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1804468260 FFBLWJJNDGPQKG-REPLKXPHSA-N 491.541 0.953 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2CCc3nc(O)nc(O)c3C2)[C@@H]1c1cccnc1 1804569357 ULOSITURJJTYPH-AGKSTNPPSA-N 465.466 0.182 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@@H]2c2cccnc2)CC1 1810329315 PACAVIQCRUNOQF-OZXSUGGESA-N 495.624 0.950 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1)C(C)(C)S 1812983687 DYEMXAWHMUJXLY-VSZNYVQBSA-N 494.662 0.975 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1829764585 OMZAXVCUZDZROE-SJEJWHSFSA-N 460.506 0.468 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3ccccc3)C2)C1 1829770326 JGBPLSZVQDJFRV-NOZFXVHRSA-N 456.543 0.802 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830346696 OQBRNHSZTCGVBC-QHCPKHFHSA-N 462.499 0.737 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)C2)C1 1831387845 RULVZLRBLRNSDU-IQGLISFBSA-N 490.553 0.750 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc(OC)c3OC)C2)C1 1831399233 RZFBTSWZLAVBBV-MWTRTKDXSA-N 464.490 0.951 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1831401619 DAQPWXZCJSNKQM-KSFYIVLOSA-N 482.530 0.338 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)CCO2)C1 1832100259 ULFDPWFJDXJSHC-CJAUYULYSA-N 490.553 0.750 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)c(F)c3)CCO2)C1 1833484877 RXCZPPSINSEBSK-VGSWGCGISA-N 451.495 0.872 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)c(O)n1 1833699618 FTUKNYXZZCUZCG-VWLOTQADSA-N 486.569 0.988 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3coc(C)n3)CCO2)C1 1834212901 BCZOZUXPZPXANA-SBUREZEXSA-N 476.530 0.970 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834240729 ZDJZBJOBAQHUPO-UZUQRXQVSA-N 475.546 0.407 30 20 JCED C=CCCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c(O)n1 1834737092 ZSUFKPKILSEHOJ-OAQYLSRUSA-N 486.617 0.684 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834753313 FJTZPKUOZBUZMV-PDIWNELESA-N 480.562 0.364 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834912303 CRTWAHYIAAOLSO-OAHLLOKOSA-N 477.587 0.062 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1835098283 GRXUYGFAXPIVIR-RUZDIDTESA-N 463.490 0.975 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccc5sccc5c4=O)C3)C2)CC1 1835341104 OVQZETDOEKCVGD-JOCHJYFZSA-N 456.524 0.823 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)CCC)CC2)CC1 1835819927 FFCDMADELDQISD-ZEVQVBBLSA-N 461.607 0.721 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccco1 1836127837 JZHLHWNZBUIBDU-XMMPIXPASA-N 473.526 0.164 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836131944 GOVREMCGABMMKH-JTSKRJEESA-N 478.550 0.204 30 20 JCED Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836321833 LUNNZCLWOYEMEZ-LJQANCHMSA-N 479.419 0.782 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836321915 PMUBWOYWVZOBSB-QKKBWIMNSA-N 495.458 0.733 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1837309443 OHBGCBVLWASSRY-XLNZFTOWSA-N 471.558 0.820 30 20 JCED CN(C)c1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)o1 1837524754 MDPGMFIXXYFOHV-MXZSFLGVSA-N 465.507 0.340 30 20 JCED CN(CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)C(=O)OC(C)(C)C 1837526832 GQXLSFDANFLGHP-XKUSAJHISA-N 498.577 0.839 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533662 YMQASJBWJYDPKN-RWTMDTCBSA-N 462.503 0.193 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1)c1ccccc1 1837616453 GEIHNAOAHDZICS-GJZUVCINSA-N 478.549 0.897 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838110727 DZVGZDSZPYTKGN-IVZQSRNASA-N 478.502 0.367 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)cc1O)CCO2 1838889169 ARANSJQOBNBXIQ-HSZRJFAPSA-N 462.499 0.980 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)cn1 1838905854 CHFFDPGKJOKZEA-DEOSSOPVSA-N 498.561 0.882 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(C)nc4)C3)C2)c(C#N)c1 1839131600 NKAWVFPDRUGRHE-XMMPIXPASA-N 465.510 0.978 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]nc4C)C3)C2)c(C#N)c1 1839132484 HTSARDMPUKDUEE-QHCPKHFHSA-N 453.499 0.911 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Cn4cncn4)C3)C2)c(C#N)c1 1839132958 UXUCCHLKOMWTES-KOSHJBKYSA-N 482.541 0.494 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839447983 HPTWRQZFXKLFCK-XMMPIXPASA-N 458.511 0.866 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)c1 1839452366 YREBPVWIWUOGDS-XMMPIXPASA-N 450.495 0.799 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCSC(=N)N)C4)C3)c2c1 1839488002 QJQZPEDPUDELTO-NRFANRHFSA-N 471.543 0.521 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc6ncccn6n5)C4)C3)c2c1 1839488260 HOABKDFGTPINKA-DEOSSOPVSA-N 486.492 0.861 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccc(Br)c3n1)CCO2 1839558838 ADNDKUFGBKKWIG-FQEVSTJZSA-N 491.298 0.255 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1839655913 WOJNGAXRDWHWCV-SBUREZEXSA-N 473.599 0.868 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)Cc4ccnn43)C2)C1 1839806946 IJJJFDRINOYSIU-JPYJTQIMSA-N 473.530 0.265 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840800570 XFKPXHVAVSJQIZ-VWLOTQADSA-N 487.553 0.772 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C)CCO2 1840912541 LKTSDCOHDDCTJU-NUQURWJTSA-N 491.585 0.951 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1840913564 GBQRLODSGWMAEQ-UZFJHSOTSA-N 480.562 0.178 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1841223618 FRVHETLIOITXEH-MJGOQNOKSA-N 455.559 0.651 30 20 JCED COCCOCCOCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842814472 MBUNYONLBIWPGU-UHFFFAOYSA-N 499.605 0.613 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843154082 IEJQLFZNWBPQMM-GOSISDBHSA-N 468.558 0.956 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CCOCCOCCOCCOC)C1 1845246263 YCZOFQVFFXMKJX-UHFFFAOYSA-N 470.563 0.786 30 20 JCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1847827165 OPWPNNNZWKMRNS-GRDNDAEWSA-N 464.613 0.997 30 20 JCED COc1ccc(CC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1S(=O)(=O)N1CCOCC1 8853636 ACUAMYJNJJNIDW-OAQYLSRUSA-N 467.544 0.856 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 10070681 BVQBEPOZYHOARQ-UHFFFAOYSA-N 481.527 0.804 30 20 JCED C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)cc2C1=O 16115653 YAHMFOQFDAQOAM-UHFFFAOYSA-N 469.475 0.862 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CC2)cc1 16776240 JCSSZYYXZZVOLK-UHFFFAOYSA-N 493.545 0.463 30 20 JCED CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(C#N)c1 23617104 GCDAWRHBWKMEFK-UHFFFAOYSA-N 478.552 0.984 30 20 JCED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 507452984 XWDIHKUWZARYQI-UHFFFAOYSA-N 468.513 0.645 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(=O)N(C)C 604269106 RFZROHPKPGIMCG-UHFFFAOYSA-N 478.521 0.875 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(OC)nc1 608883888 LZUUISHJDPTYBI-CQSZACIVSA-N 495.517 0.865 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)s2)c1=O 729670894 ACWASBCLCCDSSO-UHFFFAOYSA-N 488.012 0.031 30 20 JCED C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 731198226 GSQXBYWMMXICSP-QZTJIDSGSA-N 475.615 0.954 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1CCOC 838176640 FGSMOWUCLBEHJT-UHFFFAOYSA-N 461.540 0.611 30 20 JCED N#Cc1ccc(N2CC[C@@H](OC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2=O)cc1 912686050 KJGHUXNIUYMZEV-LJQANCHMSA-N 468.491 0.641 30 20 JCED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCC[C@@H](C(N)=O)C1 913173872 RFAVGECXWWVNAK-QAPCUYQASA-N 450.517 0.128 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)c1 927575196 PUVAWGZMTRDSHY-DOTOQJQBSA-N 450.513 0.945 30 20 JCED COC(=O)C1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 1307776149 RAUIWJGSIXOKOZ-UHFFFAOYSA-N 452.508 0.437 30 20 JCED CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)S(C)(=O)=O 1547573611 MTXTWHYLMOUFNY-GOSISDBHSA-N 472.575 0.702 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1547783362 ZLNZRZNEEYQFRI-IBGZPJMESA-N 487.586 0.584 30 20 JCED COCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCC1 1555303107 STFAPVDKNTVUDR-CVEARBPZSA-N 454.553 0.156 30 20 JCED C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1611774725 KMOOFHDFAJLGDN-IERDGZPVSA-N 457.560 0.800 30 20 JCED CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1708771653 RAUXFSHSZMSGHV-WBVHZDCISA-N 462.580 0.907 30 20 JCED CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCOC1 1728780173 PJQJLOBCKMSNDP-XLIONFOSSA-N 452.581 0.952 30 20 JCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740743028 JICVLSBETRXCPW-AWEZNQCLSA-N 454.373 0.784 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1741705425 ZSRGTNHFDQIZMD-LJQANCHMSA-N 485.614 0.898 30 20 JCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCN(CC)CC2)CCOC1 1746735591 QYQHMHJFPMNCBX-SXWKCWPCSA-N 461.611 0.933 30 20 JCED COc1ccc(F)cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1748844984 DKPALISRPAQYLE-SJLPKXTDSA-N 480.522 0.536 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1779037178 MYJWRDAQTOSOHN-LJQANCHMSA-N 484.504 0.900 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065215 PUSSLIIGTHMXKL-CVDCTZTESA-N 464.515 0.010 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)[C@H]4CNC(=O)C4)CCO3)C2)CC1 1781170253 YMZPJJAVMTTWNH-OSPHWJPCSA-N 489.573 0.493 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnc(O)nc2O)CCO3)c(C#N)c1 1781172527 SQCMGDPFDQBFNP-JOCHJYFZSA-N 453.455 0.454 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1781291760 PVXLPQPBLXHVFF-QMHKHESXSA-N 493.561 0.228 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5n[nH]c6c5CS(=O)(=O)C6)CCO4)C3)c2c1 1782195962 NKQUHSUCDYAVPS-JOCHJYFZSA-N 495.521 0.343 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NNc3ccccc3)C[C@@H]21 1783528310 LZVGAZXIAOJVBC-MPIIZYJMSA-N 455.559 0.830 30 20 JCED Cc1cccc(C)c1N1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1=O 1783556605 AOELGVXWXWILJT-UUOWRZLLSA-N 453.495 0.574 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783565955 SOEOGRHWJMHGCM-HSZRJFAPSA-N 474.514 0.445 30 20 JCED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783836569 YHIKONIVOPCXFD-IERDGZPVSA-N 473.592 0.720 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090864 YOQCWOQQVVQCDO-JTSKRJEESA-N 460.535 0.674 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1784438854 NICXDRYPWRFNKJ-FIRPJDEBSA-N 476.599 0.798 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C[C@@H]21 1784483008 VEKLSRPYGGXUTH-OFVDUGFESA-N 466.531 0.861 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@H]4NC(=O)NC4=O)[C@H]3C2)c(C(F)(F)F)n1 1785157286 LFISJYSGFPLKGT-HPEDKQMDSA-N 494.430 0.163 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785245040 XCBMDKVNUZIOIR-XMMPIXPASA-N 487.578 0.564 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1785622733 UKBLBUUEPICDGG-DPSWKAHMSA-N 489.573 0.493 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5c4CS(=O)(=O)C5)[C@H]3C2)c1 1787152202 HVPLPRAAQXIFSM-VHFSOBRXSA-N 499.549 0.625 30 20 JCED CO[C@H](C)[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)N(C)C(=O)OC(C)(C)C 1789785657 HYFSYTZSQRNHSG-WDHIOAMHSA-N 481.546 0.325 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CSc4nc[nH]n4)C[C@@H]32)c(C#N)c1 1789842770 LWVRKMBKNGLFKE-SNRMKQJTSA-N 470.555 0.999 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCNC(=O)OC(C)(C)C)[C@H]2C1 1789856991 RKZCKRRLCINXAY-FHWLQOOXSA-N 467.563 0.547 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)Cn5cc([N+](=O)[O-])cn5)C[C@@H]43)c2c1 1790328834 YOMISFFMTBFSEW-FNHZYXHNSA-N 478.469 0.833 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](CCN(C)C)(Cc3ccccc3)C(=O)O)C[C@@H]21 1790793445 HUXBIJJAZVKFEM-AIFLQVKLSA-N 455.555 0.865 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1793347723 IKBSYLIGRIQACB-LVEJAMMSSA-N 481.546 0.071 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793374684 PRGPIGJHOIGOBS-JCECYMMASA-N 485.603 0.173 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nnc(C)o1)C2 1793595035 JQJGNWFLOQBWFV-YYAJDYIMSA-N 463.535 0.980 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(Br)cc12 1796161035 DBYFMFBYVJHYPH-YQYWCBKUSA-N 461.272 0.617 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csc(Br)n1 1796690233 AKJARXQPZPGFTD-OAILTHCBSA-N 469.361 0.967 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3n[nH]c5c3CS(=O)(=O)C5)C4)c2c1 1799883363 JKPSUFCPOMGVFU-IVWMJMPLSA-N 495.521 0.103 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)(n2ccnc2)C1 1800329822 GCNYKGYRMKTDKN-ZQYRFBGISA-N 472.546 0.722 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1800528523 UEODSPBRYOCTBJ-SOVHRIKKSA-N 452.552 0.570 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1802140713 DJFKOACMQRDPGY-BAGFOUIPSA-N 475.550 0.293 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H](CNC(=O)C(O)O)[C@H]2c2cccnc2)CC1 1802924755 ZJABGLQKRQMXHS-QZTJIDSGSA-N 487.557 0.939 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806589586 CAZMTQFPZCELBC-UHFFFAOYSA-N 453.499 0.720 30 20 JCED O=C(CNCP(=O)(O)O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1807022248 OMHLYPFHQRZIMM-KNQAVFIVSA-N 456.439 0.864 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1812717406 RIDOWWVPFDDJDD-VWNXMTODSA-N 465.554 0.754 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1814062746 QJNBSOKFFMPHQS-WMZHIEFXSA-N 461.526 0.878 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2CC(=O)NC2=O)CC3)c1 1821383673 HPZUOBPQGRBIHX-CYBMUJFWSA-N 468.495 0.801 30 20 JCED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc4n(n2)CCNC4=O)CC3)c1 1821600232 KYYIUMPCSFQZDK-NSHDSACASA-N 450.484 0.822 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822197412 PZVKRUASYWCKLX-ZVGUJKQYSA-N 467.482 0.669 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nccnc1C(N)=O)CC2 1822926002 DQPHVUMLZSJNSX-LLVKDONJSA-N 458.500 0.767 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1828583708 RCKSCDUBTSZEGC-KCPMXOJXSA-N 496.564 0.613 30 20 JCED COC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330693 OKYSURUSEHESBS-DEOSSOPVSA-N 471.510 0.952 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)C(=O)O 1829632261 SDNVFOMRVJZHRI-WMZHIEFXSA-N 458.515 0.010 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCSCC2)CCO3)ccc1F 1829714849 GBOYRGPUZXMISY-QHCPKHFHSA-N 476.574 0.745 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829825278 YDGUJTQFXWTYOF-VVVDXXIMSA-N 451.476 0.298 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)nn1C 1829898488 HYQPOUVRYASZJY-XMMPIXPASA-N 451.527 0.842 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CCO2 1830385740 RKLHIOLSOSTHLU-KUSNTZITSA-N 499.630 0.518 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOC)C2)C1 1831998671 QNLWZMYIEZHUEB-VGSWGCGISA-N 455.552 0.949 30 20 JCED Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)nc2s1 1832104342 RHNGMFKMNNHUIP-JOCHJYFZSA-N 489.602 0.380 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1832456232 LIGYVVBUFVASRN-JOCHJYFZSA-N 464.588 0.662 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833600190 SJKMEFYFTXLUOZ-PGRDOPGGSA-N 481.571 0.128 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)c(O)n1 1833696294 ZQSGGQQAXIDJSG-QHCPKHFHSA-N 469.498 0.785 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)O2)C1 1834754161 XACOHBHNPGOATP-SBUREZEXSA-N 478.546 0.525 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1835675453 RKEJCAQDSAQJKW-QHCPKHFHSA-N 463.579 0.127 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ncc1[N+](=O)[O-] 1835677178 LEIVQLSKVFBTBF-JOCHJYFZSA-N 474.518 0.650 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835780404 ZMTDQHUUWJCWEW-HIQXPHMNSA-N 460.579 0.978 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836650752 MDAXAOXJRRCYRR-IEHRFDEQSA-N 473.526 0.976 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836789509 HAJXZGYYPVDQOX-NTKDMRAZSA-N 457.527 0.824 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1837400229 AAUHTSGYAIXPAP-GAJHUEQPSA-N 491.497 0.967 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1837606421 SSAZJNONBNAUPX-MBSDFSHPSA-N 475.546 0.034 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)ccn1 1837977218 AKLSYQQNHHTAMT-DEOSSOPVSA-N 457.527 0.859 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c1 1838578037 CIYSYAXBPSBVOS-SBUREZEXSA-N 456.499 0.163 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)NCC(C)C)C3)C2)c(C#N)c1 1839132928 UEGUYICZRWGRHG-XMMPIXPASA-N 472.542 0.338 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1839173427 PCKQUXKDUFSQJF-OAQYLSRUSA-N 453.442 0.939 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1839174669 QTAZBZOPXNQVJK-QFIPXVFZSA-N 457.487 0.537 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1839186036 WQWKQKHQJCDDCX-KSFYIVLOSA-N 479.534 0.999 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486285 RKEGTWBRSLVNOQ-WZONZLPQSA-N 468.514 0.419 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839513056 VCMZYIKHTTXGML-WAIKUNEKSA-N 456.499 0.997 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2)c1cccs1 1839669314 VIQALPQKKWVXMI-XRRIUQSZSA-N 488.522 0.518 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)OC(=O)OCC)CCO2 1839685349 NZVIVHSCEKBOCN-IERDGZPVSA-N 456.492 0.514 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1839739185 UIVDZMDASHRZQG-IUUKEHGRSA-N 462.494 0.918 30 20 JCED COc1ccc(Cl)cc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839791116 USHWYOWRPAAIFA-OAQYLSRUSA-N 450.875 0.436 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c(CC)c3I)C2)C1 1839807628 IBMYSNJVGQAMEO-SFHVURJKSA-N 486.310 0.290 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1839890577 HILYKTHVIPKBDJ-OAQYLSRUSA-N 494.532 0.350 30 20 JCED COc1ccc(Cn2cc(CC(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cn2)cc1 1840041035 LRXNMQBNANKKID-RUZDIDTESA-N 496.520 0.027 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043672 NSFFLESMMSMDCE-SBUREZEXSA-N 479.530 0.390 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044468 YJRHVEOIUJCGRD-SBUREZEXSA-N 479.530 0.178 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1840108002 BPPWWDOFVJQXRV-YGKZAACZSA-N 482.578 0.424 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251763 WZLFBIRFKREXJY-CYFREDJKSA-N 489.573 0.974 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C(=O)OC)cc3)CCO2)C1 1840278098 SVWWAXNROVAVSI-MHECFPHRSA-N 458.511 0.510 30 20 JCED CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c1 1840789704 BYYGFKFNDORRAW-IBGZPJMESA-N 455.920 0.727 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(C(=O)OCC)CC1)CCO2 1840815962 LXESZHAZTIPQII-XLQQFJOYSA-N 492.573 0.170 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840902325 JVPZVZHEEAZSRT-XDHUDOTRSA-N 465.510 0.775 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)[nH]n3)C2)C1 1840909479 UCBWZGNOLWDEEX-HOYKHHGWSA-N 489.573 0.959 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842086622 PGQUNLPPNDPZAK-KRWDZBQOSA-N 456.499 0.809 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1 16558794 XQWSIHRUVAXUMA-SFHVURJKSA-N 482.580 0.713 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(F)c(F)c2)c1=O 501802984 HVIPYEBPBHBHKU-HNNXBMFYSA-N 491.516 0.939 30 20 JCED C=CCn1c(SCCNS(C)(=O)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 519364036 QTKBETBYXIZECN-UHFFFAOYSA-N 487.629 0.793 30 20 JCED C[C@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 522537924 STOMGOFVLLXJMS-MGPUTAFESA-N 490.589 0.929 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)CC2)cc1 603931020 VJXFCGXYPDBZGS-UHFFFAOYSA-N 451.486 0.625 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccc3[N+](=O)[O-])c2=O)cn1 608883803 IHFOPXKLOQXCKG-UHFFFAOYSA-N 463.475 0.992 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)CC1 728532599 DHXVUMKCBLCTOZ-UHFFFAOYSA-N 496.033 0.173 30 20 JCED O=C(COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)NCC#Cc1cccc(C(F)(F)F)c1 853142220 QAABHTUGHSCONJ-MRXNPFEDSA-N 499.467 0.882 30 20 JCED CC(=NNC(=S)NCCCN1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916310208 QOYRDSXOGNHCQQ-UHFFFAOYSA-N 469.633 0.618 30 20 JCED CS(=O)(=O)N=S1(=O)CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1170593843 PFLBAXIWYQGJCS-HNNXBMFYSA-N 459.619 0.200 30 20 JCED N#Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1C(F)(F)F 1186223043 XBUTUMYJHULMGW-HUUCEWRRSA-N 453.464 0.353 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2CC2(S(C)(=O)=O)CC2)C1 1302480771 UREWYHBKRDJQSX-INIZCTEOSA-N 486.620 0.318 30 20 JCED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1303473467 ZCABMZUEMOGYRA-OAHLLOKOSA-N 458.610 0.638 30 20 JCED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CCO1 1315956061 VWBOQDXKMPEQPO-FQEVSTJZSA-N 470.530 0.829 30 20 JCED N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)C2=O)cc1 1478569288 VYVVCFKJEPBJCJ-VXKWHMMOSA-N 454.575 0.755 30 20 JCED CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1503248329 MEFQNUCMYDVERD-UHFFFAOYSA-N 473.603 0.852 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1552886499 PRYWASWUKJMJSQ-SFHVURJKSA-N 457.560 0.909 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1554165197 MHMMLMCZNGLQHA-LJQANCHMSA-N 470.559 0.901 30 20 JCED CC(C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1609522663 NBAWGOTVITYIJZ-UHFFFAOYSA-N 453.551 0.924 30 20 JCED CS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750205603 KYLJDUBFGNHQKZ-UHFFFAOYSA-N 458.548 0.152 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCO1 1761497862 NWZBGERYVJKLRP-RDJZCZTQSA-N 460.564 0.661 30 20 JCED COc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1770373798 TXVKDXQBNTWYSK-MSOLQXFVSA-N 462.532 0.397 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CS(C)(=O)=O)nc2)C1 1777800387 NWRJNGNLVPNALP-XTQVGHSUSA-N 477.583 0.792 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c2ccccc21 1778166562 HAAFPYYHEZPYDP-ZHIQAQTNSA-N 465.510 0.882 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1778967281 JZRZIOHCTVSDSB-RDPSFJRHSA-N 458.559 0.935 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1)NC(=O)OC(C)(C)C 1779097911 ACIMSSHQLJVFJH-WWEVIYMKSA-N 496.605 0.326 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1779337987 FYSFJBQSCLDUAG-QZTZHPFYSA-N 490.626 0.979 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)C(C)(C)S 1780252027 HCKWBDATWQWUDA-OPAMFIHVSA-N 495.602 0.815 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1781295294 MIKXNKRATSEEFM-VGOFRKELSA-N 455.552 0.685 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1783584007 VGLFBTVRDSMICZ-FECROARQSA-N 491.585 0.613 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783959162 ATRBEDMNXYQWHY-YCRPNKLZSA-N 469.560 0.551 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784033709 JSZDPFLGBRDHHS-DGGJZMOXSA-N 464.563 0.812 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)NC(C)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1784087901 CPZXBQKMDDZYTD-WLENULPWSA-N 464.563 0.907 30 20 JCED NC(=O)c1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788630166 PEUHKQYDEHWUHR-WDSOQIARSA-N 454.527 0.472 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C[C@@H]21 1791279314 COBQHRHXIPLLBF-BZSNNMDCSA-N 464.563 0.622 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1792257531 WDKNEKAPGPGPDD-DCANNJSBSA-N 488.585 0.718 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1792279407 VELFXRAPXLGHJK-DFQYRXGOSA-N 489.573 0.253 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)c2ccccc2o1 1792762333 UKTNGKWJOYATGP-JVDGZWEOSA-N 451.479 0.855 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1793359366 WFNIGWDSQGDPCW-ZBLLQYKHSA-N 467.563 0.395 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598411 FBGHDGQWDISKMV-XMTFNYHQSA-N 480.610 0.100 30 20 JCED COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1796586977 ZGVJCLYLCGPMFW-CWPLJXCYSA-N 463.498 0.794 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cccn2)nc1 1798212745 WUNDLCZSLANEIP-OPVJXMOQSA-N 451.531 0.752 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)[C@@H](O)C1 1799196111 GJPPQFMNVGRTMC-ADHGMGHFSA-N 462.547 0.498 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(N4CCN(C)CC4)CC2)C3)c(C#N)c1 1799238397 DRBCYKVNOMKLMU-RUMRUAAYSA-N 481.597 0.479 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 1799391264 KUZJGJZSAQRCPK-DFYYWFRZSA-N 457.531 0.881 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800525495 KOQJBRSLTFIGRC-WXOXAHCZSA-N 484.553 0.583 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1800824388 KCDNXFWARUGLHW-CKOFKNITSA-N 462.547 0.640 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)C2 1800990102 ZABZCYVYWWFKDV-BCKAASPTSA-N 457.593 0.655 30 20 JCED CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)COc3ccccc3C#N)CC2)CC1 1801991717 IZYRQIDLLJHNCI-JHDGKUDLSA-N 467.570 0.307 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1802016610 QTUSXMCLKDQBAP-DURIQHOJSA-N 463.575 0.997 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)OC)C2 1802124701 HPRYRXDADROFCN-RCJHGTSTSA-N 483.587 0.399 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)[C@@H]1c1cccnc1 1802475347 FNXGWNJPPNHYKM-VPDIJCSESA-N 462.572 0.627 30 20 JCED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804193153 UTWMSPVDFVMJPG-OFNKIYASSA-N 478.615 0.801 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1808879092 XHRNUCNRCHVUCN-XOBRGWDASA-N 453.411 0.801 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810094641 MSNNVFNBUTZJPQ-OOIATVSUSA-N 460.535 0.624 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810564840 DZQXFJIMGXFACF-GIWBLDEGSA-N 470.570 0.937 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1812872810 IADNXTJNDPHJCR-WFXMLNOXSA-N 486.525 0.811 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330769 ZDXIHTSJYXKTJX-WDEREUQCSA-N 458.504 0.901 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)CNCP(=O)(O)O)CC2 1819899262 SUCYFKQFOAEFMO-TUSKSUNNSA-N 475.464 0.309 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCN2C(=O)OCc1ccccc1 1829027885 PPURVQMVBZEXNR-DVECYGJZSA-N 469.494 0.706 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 1829342628 MDSHIEWHUJDTQI-KKSFZXQISA-N 483.612 0.801 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCN2C(=O)OCc1ccccc1 1829391290 CCKFLALOGOUPIS-DEOSSOPVSA-N 494.508 0.208 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nc3F)C2)C1 1829764272 JBIKXWQASMQWPT-RMUOZIPVSA-N 466.897 0.803 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[S@](=O)c3ccccc3)C2)C1 1829771228 MURFQFABJADBGB-KOKHMFGHSA-N 489.594 0.498 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c2ccccc21 1830056513 CXOFOYVNOWAWNY-HSZRJFAPSA-N 455.515 0.346 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c([N+](=O)[O-])cc1O 1830060622 XSCGLVQGVDRGSY-NRFANRHFSA-N 462.459 0.929 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccc(OC)cc1)CCO2 1830217785 TVUPGBQQAUIJTH-ZJSXRUAMSA-N 476.526 0.694 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)C1 1830428647 IDMTZODERHMIDC-WAIKUNEKSA-N 477.583 0.542 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1831409036 HSLFWZKROWZGCB-RUZDIDTESA-N 484.553 0.986 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831412652 WMSKBJFNZGFFNN-CYFREDJKSA-N 499.605 0.701 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1831491763 FPHQTWWDYQIAOV-XPIZARPCSA-N 465.576 0.006 30 20 JCED CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)no1 1832786869 DJPJXAGZVXJGHW-JOCHJYFZSA-N 462.551 0.474 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(N5CCOCC5)cn4)CCO3)C2)c1 1833614370 ARDLXIVJFPYFAN-XMMPIXPASA-N 480.525 0.502 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@H](NC)C(=O)O)C3)C2)c(O)n1 1833698920 PTYSVGVCZZBWMJ-FDDCHVKYSA-N 476.530 0.039 30 20 JCED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CCC(N)=O)CC3)CC2)cc1 1834674309 JVHZETFFALXDCB-NRFANRHFSA-N 454.575 0.531 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)cc1C#N 1835127423 QPTJACXWHBPSIK-YADARESESA-N 470.526 0.694 30 20 JCED CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732676 WBKJWEUTMPZPPS-PCLIKHOPSA-N 465.668 0.514 30 20 JCED O=C(/C=C\C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)NC1CC1 1835768919 GXTVCAJQOLOBTB-OBNYOXFDSA-N 475.590 0.922 30 20 JCED Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)n1 1836059099 AEHZTHSQDANXDQ-TWKPZUECSA-N 458.540 0.920 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C)cc(C#N)c4)C3)C2)CC1 1836768023 WNAPWXMKNVZIJS-RUZDIDTESA-N 483.569 0.101 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1837443960 UYYWLCPVNMQCLV-XZEIMLRBSA-N 462.576 0.957 30 20 JCED Cc1nc(N)sc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527331 LMXGMWVYHLESGX-WDEJNSOPSA-N 467.548 0.633 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c1 1837797647 ZYLVEFCYUSZZRZ-FQEVSTJZSA-N 458.406 0.712 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)ccc1OC(F)(F)F)CCO2 1838578996 YBOPPQALUCFAJB-LJQANCHMSA-N 474.363 0.882 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2)C(=O)O 1838595797 BYLQMCVMZQXXFZ-IIBYNOLFSA-N 464.906 0.344 30 20 JCED CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2)C(=O)OC(C)(C)C 1838734609 FPCLWENCGRPKMQ-JOCHJYFZSA-N 461.519 0.823 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838764970 AUMAYHNSMXUAME-KZULUSFZSA-N 461.441 0.467 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1839174080 DWTDHFJHQGCDLX-NRFANRHFSA-N 450.492 0.320 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1839184989 JVJSHBJMORUWHU-SBUREZEXSA-N 482.578 0.438 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1839185728 JPBFAGAFSCLLHJ-DVECYGJZSA-N 480.606 0.864 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839191114 VBQLPHAMHJBOBW-DNQXCXABSA-N 479.574 0.930 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c(O)c1OC 1839377345 YRSKQCVUMAHPFX-SKLAUCLBSA-N 490.557 0.951 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(O)ncn5)C4)C3)c2c1 1839487734 VHHCZNRFTTYROS-JOCHJYFZSA-N 463.454 0.314 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn4c3CCN(C(=O)OC(C)(C)C)CC4)C2)C1 1839808579 UVVDTJLDSJTXFV-XMMPIXPASA-N 487.557 0.380 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)ccc1Br 1839873465 XGPYCLINIDEMLZ-KKSFZXQISA-N 491.342 0.527 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840141509 JKUOPOPNYWGUMQ-KHCICDEESA-N 476.574 0.480 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cscn1)NC(=O)OC(C)(C)C)CCO2 1840344636 LSZLFQQJOUIPAT-VGOFRKELSA-N 478.571 0.669 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCc1cccnc1)CCO2 1840510175 OTCSDEJUHVCDTF-HMLKYZKVSA-N 456.543 0.719 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1840715379 YZHOUOUPXRTGHS-QATBIIFWSA-N 472.542 0.535 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1)NC(=O)OC(C)(C)C 1840796006 NVQXDBPXRKLZNN-DVECYGJZSA-N 499.605 0.965 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820758 INMKVXAZFMOBQY-XMMPIXPASA-N 466.494 0.615 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1840904099 YJJBEFZXLCQAKC-NTKDMRAZSA-N 457.527 0.220 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)CC)C2)C1 1840913534 DMVJFJBTLTZPEA-UZFJHSOTSA-N 465.547 0.891 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCN(C2CCN(C(C)=O)CC2)CC1 1847802092 KATDHLSQDDAZNL-TZYHBYERSA-N 458.603 0.949 30 20 JCED Cn1cc(C#N)c(=O)n(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1=O 14147003 HNHFFPAORNWDQD-NVNXTCNLSA-N 457.443 0.410 30 20 JCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(CCC#N)CCN3CCOCC3)CC2)c1 499336008 MVFKVCCLHBQFQD-UHFFFAOYSA-N 463.604 0.521 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(CCNS(C)(=O)=O)c2=O)c1 589160249 INLAFXZRVNEJJI-OAHLLOKOSA-N 477.608 0.976 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 728534703 QPZKQZWBXLGPKY-GOSISDBHSA-N 461.360 0.947 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C(=O)NO)cc3)c2)CC1 746268501 KUJVCTAGOAFDMP-UHFFFAOYSA-N 460.512 0.588 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)cc1 918241775 MTQUAYWUCGXDAO-HKOYGPOVSA-N 465.576 0.665 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCCCN1CCCCCC1=O 919033903 GHOIFZUTZJACHS-UHFFFAOYSA-N 450.517 0.289 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286630288 RLTSHJYJRDVMIL-LSDHHAIUSA-N 457.000 0.722 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nccnc2C)CC1 1507869536 VTZFJAWFRLDXKT-MRXNPFEDSA-N 482.998 0.789 30 20 JCED CC[C@H](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)OC 1512765778 PLZALFBDEQNHMS-YVSFHVDLSA-N 456.569 0.401 30 20 JCED CCN(c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1547385986 YRSNOWVVPXDTDH-MRXNPFEDSA-N 467.573 0.787 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCOCC2)C1 1620171161 UPCLEPJIWGIZBS-KRWDZBQOSA-N 468.580 0.283 30 20 JCED C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H](C)O1 1620319956 NFYPULJQAIODSO-CALCHBBNSA-N 461.592 0.911 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 1633222032 ZJWOOHDKLLKKTP-MRXNPFEDSA-N 457.556 0.833 30 20 JCED COc1cc(C#N)ccc1OCC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1633343183 LCTBWDQCLYXNQI-UHFFFAOYSA-N 450.439 0.923 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCc2ccccc2C1 1692804724 TUMUASMSHZNJKS-VQIMIIECSA-N 459.576 0.675 30 20 JCED CCCN1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1695398807 VSFAZRBNOPQZFA-ZWOKBUDYSA-N 469.587 0.927 30 20 JCED C[C@@H]1CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 1726736345 NLNGAGFQZTWGSH-LVCYWYKZSA-N 499.613 0.554 30 20 JCED CCCNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1745788215 RRKHXMNZFVCEAI-UHFFFAOYSA-N 482.593 0.557 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCO1 1751230892 YTTMSSPYXHWULK-RDJZCZTQSA-N 460.564 0.661 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1779000836 YUAGDTXZJBEMRU-IFMALSPDSA-N 451.640 0.518 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1781400941 RVNRPNPSZSSAJD-DRSNIGMVSA-N 469.583 0.859 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@@H]5CCCS5(=O)=O)C4)C3)c2c1 1782959174 HFPCWZPELKWGCX-LAUBAEHRSA-N 457.512 0.455 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783899951 INMBWHHNRSBHIJ-ZSDSOXJFSA-N 487.623 0.476 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783932701 AGWTWLFNFWLOJC-FNVCAUGXSA-N 481.546 0.349 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)NC(=O)OC(C)(C)C 1784118806 HIHFZPFAGCLUKD-XDHUDOTRSA-N 490.557 0.601 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1785378918 YIJRFGNJKBQGKI-HSZRJFAPSA-N 452.467 0.790 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1785575128 YJOPJUQCAPKZIH-OPAMFIHVSA-N 461.519 0.667 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788679697 IJXTUZJFNYMGJQ-IJKOJPKGSA-N 492.573 0.954 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790329347 DVRKXYDEEZOYGN-MWUWBQKZSA-N 498.540 0.871 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1791542960 MJMPCZKPRBJLAO-UVUJQTEASA-N 464.526 0.622 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](N)c3ccccn3)C[C@@H]21 1792257832 NDAZDRRSPDBYGA-JZTRKIHISA-N 485.585 0.978 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)CC2=O)c1 1792427677 PVNFJZAWKUAXIS-OPOADAIRSA-N 452.511 0.941 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cncnc1 1794168605 SGWUSYRKQOEVET-DMUMMCEESA-N 457.531 0.525 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C 1794572859 SXIPZFJSTBCZHE-IFSBAMAHSA-N 460.535 0.488 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)C2)C3)c(C(F)(F)F)n1 1795997633 VHVKWOLQCPYHMX-OVZMXSCWSA-N 451.405 0.311 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2)n1ccccc1=O 1797938108 CVGDAVIHRNLXIE-YQYRJILISA-N 450.495 0.950 30 20 JCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799074667 JXPMGMLHSUVJHT-MIFYACCESA-N 454.499 0.693 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C3)c1 1799798457 ZEVCOCXKYZQLRC-YRPNKDGESA-N 472.542 0.956 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3c[nH]nc3cc1Br)C2 1800778075 ZYVROBPLWCKGHQ-KSPBDQMDSA-N 461.272 0.617 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801071490 ICWWKXNXACEYRY-NRUGXNMXSA-N 462.547 0.019 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)CO2)C1 1801886748 QBRDLAFIWDWAHH-NXOAAHMSSA-N 461.515 0.739 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1cccc(F)c1)NC(C)=O 1802040838 MVWKIIXYDCVMIB-UGFIEOPBSA-N 459.518 0.501 30 20 JCED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1802694846 SEHBKFHWOCBRPA-AJYBTWMASA-N 498.609 0.817 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1803605200 UPDNRYNREVGSJP-RLLQIKCJSA-N 468.645 0.772 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1803922685 JSEVTADNEBBYMM-BCDXTJNWSA-N 475.523 0.047 30 20 JCED C=C1CC(C(=O)N2CC[C@H](CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@@H]2c2cccnc2)C1 1804387737 LNZVGEPCMKJMJZ-XLIONFOSSA-N 491.552 0.501 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807353205 INSJLDKTRICFCG-WVJORUBWSA-N 477.529 0.604 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]2c2cccnc2)c(C#N)c1 1808167468 RVULLEMZMLFWHF-XZOYJPPVSA-N 478.553 0.803 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2c2cccnc2)N1 1812443192 ALUAYRPBVLKTCD-VLVHOKLOSA-N 495.605 0.681 30 20 JCED C#CC(=O)NC[C@H]1CCN(C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1812531032 VJKVTUHNGQDIPY-QRWLVFNGSA-N 465.535 0.575 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828522075 DQZFXNOAMMNDSQ-UUOWRZLLSA-N 475.542 0.322 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1829267728 ZTQUVCCAUVYQSC-HTAPYJJXSA-N 451.487 0.319 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1829352264 RGBCMABPOLJNPO-DEOSSOPVSA-N 483.525 0.566 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)C(=O)O 1829632262 SDNVFOMRVJZHRI-XXBNENTESA-N 458.515 0.010 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1829768515 AIQRFIJPEKXSKY-JXCVUKRWSA-N 456.337 0.229 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H]3CCC(=O)NC3)CCO4)c2c1 1829961563 UJIIZGIXYNYXHJ-WAIKUNEKSA-N 466.498 0.031 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1830639505 WWMLQIPBUBNWJV-QHCPKHFHSA-N 457.531 0.465 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1831398893 MRHSCJGXNPVCFY-WAIKUNEKSA-N 489.481 0.490 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)ccc1F 1832026990 WHSWZAMJTBPWCF-XMMPIXPASA-N 484.484 0.011 30 20 JCED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)CCC1=O 1832380535 OZPZXHLZWUXTRA-QFIPXVFZSA-N 473.917 0.890 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1832794853 WLZCEWRHPGGMPH-JOCHJYFZSA-N 472.586 0.843 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)COC(=O)C(F)(F)F)CC2)CC1 1833075104 PCAGFSKJLBUELM-ARJAWSKDSA-N 474.480 0.522 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCN(C)C4)CC2)CC1 1833466771 OWHJGMGXYZQJCR-LJQANCHMSA-N 470.618 0.942 30 20 JCED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1833501868 DVGVZOXDWJRGNV-HSZRJFAPSA-N 451.483 0.670 30 20 JCED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)C2)n1 1833879709 KWIKRKADVKWZOW-IBGZPJMESA-N 479.419 0.484 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)=NO2)C1 1834766985 IUIUAUSMXIXPEU-XZOQPEGZSA-N 491.545 0.512 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1835362603 PACSGRTZVLMNSF-YJYMSZOUSA-N 455.437 0.903 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835495048 FXVAJBAIJSUHSG-CZYGPWSVSA-N 498.540 0.866 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNc4ccccc43)C2)C1 1835675011 UCUVLYBHWLDSDZ-YADARESESA-N 455.559 0.934 30 20 JCED Cn1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1C(F)(F)F 1835677354 OOYUVOVZVANEDP-HXUWFJFHSA-N 486.495 0.791 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)ccc1F 1835705760 LAGKUUGBRPUCKR-UPVQGACJSA-N 467.501 0.791 30 20 JCED CC(C)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)C 1835897357 BRHGMBHDAQHIGP-BVONVKGESA-N 451.612 0.937 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC)NC)CCO2 1835919422 SXDDVHVIMLOIML-STSQHVNTSA-N 466.579 0.357 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836110645 AAPGQAGNCFVDMR-KKRXVXNVSA-N 479.559 0.554 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc4ncnn4c2)CCO3)c(C#N)c1 1837170190 NREYIGOJHGISMW-VWLOTQADSA-N 490.520 0.922 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837443750 IPAKWXQCHHQSLR-WGBQGACBSA-N 455.519 0.500 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cc2C1 1837445980 DPONWPABYIAZCY-LPHATQMZSA-N 487.605 0.260 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)ccn1 1837528396 JBBZYFOVQGIUEJ-HLJFKENESA-N 489.529 0.639 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837532891 HXZJMXHRJMHXEV-JWRHBCIMSA-N 498.577 0.887 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835388 BJHHAGWWTZYXGK-HNNXBMFYSA-N 462.484 0.511 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1837868772 INSLEIRVYMIQCV-UHFFFAOYSA-N 460.535 0.782 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1838356928 GXMHNSFREYZNIG-IBGZPJMESA-N 469.535 0.559 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C3)C2)c1 1838579144 CWAZAALXTIRSNT-KSFYIVLOSA-N 479.555 0.318 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5ccncc45)C3)C2)c1 1838582429 MQLNAUAGMUKXQU-XMMPIXPASA-N 476.493 0.993 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1Cl 1838598101 NLODSKVHIVLTKG-LAUBAEHRSA-N 481.958 0.859 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1F 1838774222 RGUUVALIEAKHKZ-UHFFFAOYSA-N 480.514 0.929 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)c1ccc(O)cc1 1839080470 WSXHRUKRHMHKBU-RHQSAMMMSA-N 471.554 0.068 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccc(C)n4)C3)C2)c(C#N)c1 1839131328 BICIUFLZNAJULX-DEOSSOPVSA-N 467.526 0.771 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)c(C#N)c1 1839132303 CPPVWBAIKABZMW-GBXCKJPGSA-N 470.526 0.187 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)N4C[C@H]5C[C@@H]5C4)C3)C2)c(C#N)c1 1839133118 ZLQASWLMBOKDKQ-XNZYNNNKSA-N 482.581 0.906 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)ccc1F 1839187178 NZPINEZVLREREN-HXUWFJFHSA-N 469.416 0.806 30 20 JCED Cc1cn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)c(=O)nc1O 1839422152 FLQQZDZIHJZGNB-QHCPKHFHSA-N 485.472 0.038 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c(Cl)c1 1839424535 PGIQXOBWDDMLRO-QFIPXVFZSA-N 487.900 0.856 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1839453494 OAXPAVCDNGCACS-QHCPKHFHSA-N 467.482 0.511 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)c(OCc4ccccc4)c[nH]3)C2)C1 1840040829 ADWBYFROSZYZDG-RUZDIDTESA-N 495.488 0.112 30 20 JCED Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041056 NAIRLUAUXCRPIX-QHCPKHFHSA-N 468.466 0.044 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc4[nH]ccc4c3)CCO2)C1 1840079927 FKNJKCXQGSAQLJ-UUOWRZLLSA-N 454.527 0.990 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840165136 OPCLEPSSQIKPHK-PDSXEYIOSA-N 489.591 0.218 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819819 HJASPQTUONRDAV-GAJHUEQPSA-N 473.530 0.101 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1840906456 BZDCMJZQKPSXPY-FDDCHVKYSA-N 473.530 0.463 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1840913144 ZOFFBBBTRFZUQO-ROEJJBDBSA-N 480.562 0.047 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C1 1841231858 IZEHJUYEFSUXSK-WHKHXMRTSA-N 496.630 0.710 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 15171050 MSWAUMVKVKKRJL-UHFFFAOYSA-N 451.486 0.625 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 15425801 XATGTVBZYMBVNF-UHFFFAOYSA-N 476.580 0.965 30 20 JCED Cc1ccc(S(=O)(=O)NCCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 26184143 XFGDENJLPDNCJX-UHFFFAOYSA-N 450.542 0.582 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccccc1 604118835 SFBZUHUZVZPCSF-UHFFFAOYSA-N 497.598 0.958 30 20 JCED CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 604169219 UHMWZAXZDNDTBQ-UHFFFAOYSA-N 475.553 0.557 30 20 JCED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 604207360 HUUMVRJVBBAXIT-UHFFFAOYSA-N 458.500 0.635 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O 608911009 CPIYGIIWRXBIMN-UHFFFAOYSA-N 482.484 0.460 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCCN(Cc3ccccc3C)CC2)C1=O 726042707 LHPPGHPIZXYMNH-UHFFFAOYSA-N 456.499 0.549 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cn1 729030299 QEDCOXQFOJJNAB-UHFFFAOYSA-N 477.477 0.792 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(Cl)c2)c1=O 729671123 IBJRNOJSKHGWMO-UHFFFAOYSA-N 451.957 0.389 30 20 JCED CC(=O)NCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 730723915 KAVBUJMVTZVUSS-HNNXBMFYSA-N 455.500 0.672 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCS(=O)(=O)N2CCOCC2)c1 748104434 JMCCHUUUMQTQFY-HEHNFIMWSA-N 473.577 0.283 30 20 JCED CS(=O)(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1F 919940005 NIRBKKMDIVDRHM-UHFFFAOYSA-N 487.556 0.796 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1360602894 QWHVVYNZMODLOX-UWVAXJGDSA-N 453.613 0.987 30 20 JCED CNS(=O)(=O)c1cccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)c1 1554500552 XTAKKTISIDWWQD-GOSISDBHSA-N 453.528 0.949 30 20 JCED CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1556883945 ITYYISAOCCPHOY-OAHLLOKOSA-N 456.590 0.745 30 20 JCED CN(C)S(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617715302 SJTJQMUVYXTMQP-IBGZPJMESA-N 473.603 0.968 30 20 JCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1628992081 KVEJHTJBJBODAI-QGZVFWFLSA-N 454.574 0.499 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)N(C)C 1692796549 PENRMOMLQWQGGW-HZPDHXFCSA-N 461.596 0.432 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(-n2cncn2)c1 1706872618 YVYRGDJDIHBEHR-KUHUBIRLSA-N 459.511 0.959 30 20 JCED Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)s1 1751582275 ZXRLETSZGPEGFI-GJZGRUSLSA-N 452.562 0.859 30 20 JCED Cc1nn(C)c(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1751823471 NSVATNSWUQCIII-GUYCJALGSA-N 450.569 0.748 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCN1S(C)(=O)=O 1770672707 MVICHHLVJJUGGI-HNNXBMFYSA-N 482.588 0.243 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1779062627 DMVITZXEOOGIRT-XMMPIXPASA-N 455.511 0.995 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1779099840 NNUIXVGKPLNFAL-YHTQCVJLSA-N 469.388 0.701 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)[C@H]1SC(=N)NC1=O 1779101520 MJEHUKOJMZAZJY-XCZNCFCCSA-N 467.548 0.148 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1779109340 MURLDRZTCAIUKY-CNNGFVDASA-N 470.573 0.206 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1779337521 XMAUYUPGZZNIRR-YGKZAACZSA-N 462.547 0.344 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1779421482 MRKHFANNKQJQQV-LUCGCISYSA-N 452.552 0.362 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781040004 BWZNJTQFLJFNGP-ACTFIFLWSA-N 452.552 0.009 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1)C(C)C 1781386029 BEHIYLLMEDEGJU-DOWNOZBLSA-N 484.619 0.506 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567533 RYAWNHZDSQAACR-NBZRVGKJSA-N 461.515 0.692 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c(C(F)(F)F)n1 1784036308 WEXGKSXTIWAVFF-XCLFUZPHSA-N 465.432 0.942 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)CC1 1784388838 HDDOLECCEIIEHD-ACRUOGEOSA-N 474.602 0.932 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1785027697 QODCSVLHVMJBEL-SZMVWBNQSA-N 458.902 0.223 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3C2)c(Cl)c1 1785153572 VSXJDGAXICPKNY-CSFVBSKPSA-N 459.890 0.403 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(=O)NCC)CCO2)C1 1785596383 QKIPLCXWCLUSKX-SMGXNKOPSA-N 493.605 0.993 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785612145 CDALDCAHFWGKSY-HOYKHHGWSA-N 497.589 0.990 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC)[C@H]2C1 1786494682 DLCMSUMDGWWMLA-FJIDUMEYSA-N 498.577 0.418 30 20 JCED CCn1c(-n2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)cc2C)cccc1=O 1787153658 MDQRTYCOFOIMEF-LNLFQRSKSA-N 481.509 0.044 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3NC(=O)C4=O)[C@H]2C1 1788433498 CCKBSHAMMUBFTE-WUEHBLDCSA-N 466.494 0.273 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21 1788661069 XANRRWHJHGUMMB-GGEKLTRPSA-N 485.585 0.892 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCOCc3ccccc3)C[C@@H]21 1791078059 SMSTYNBHWFDPSR-FKBYEOEOSA-N 488.537 0.304 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1792147064 KOTDVRUASRYNNA-MPGHIAIKSA-N 454.443 0.862 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1792258749 OYFYXHDDWLKDDX-NXOAAHMSSA-N 483.587 0.701 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1c(=O)oc2ccccc21 1793983060 UULPDKUNYMOAGC-UPHUGPLXSA-N 469.542 0.856 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1795597969 MUAOOWSIJKVEBT-RMFSNUHRSA-N 470.574 0.403 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc3sccc3c1=O)C2 1795598217 IAALPSFWGZBUHW-CWPLJXCYSA-N 471.583 0.934 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815247 LLYOZHFAHNBNPI-YDRXGEHBSA-N 498.577 0.646 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1 1798730062 NBLJCRMLUCNBQB-CXHZTBPHSA-N 464.519 0.840 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2)c1ccc(C#Cc2ccccc2)cc1 1799614477 CJXCCPPAUNJIHS-SFIUMABJSA-N 489.572 0.940 30 20 JCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCCNC4=O)C3)c1 1799801436 YCJSVJFSYWMDRO-RMFSNUHRSA-N 462.510 0.714 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)C2 1800452049 CYNGMAIAMJGHQI-RCLSDMTESA-N 490.601 0.310 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C(F)(F)F 1800547678 DFLSMZFBTINFRE-XJFOESAGSA-N 451.442 0.580 30 20 JCED C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C)C2 1800754652 SYOIHXSUZBWPIK-JDCPMNFLSA-N 486.569 0.964 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn(-c3ccccc3)c3c1COC3)C2 1800775981 NERFIHGWOPYAQY-USGNIVHTSA-N 450.451 0.194 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801444636 RAEDDUCAGBESTC-LVZMMCSGSA-N 464.588 0.396 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cn1)C2 1802126851 OMXQGPSSANLBMK-MNDZRTMASA-N 472.542 0.836 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)[C@@H]1c1cccnc1 1802477604 QKEAQPLAOLFUDM-HTJWAQAGSA-N 464.526 0.960 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1803542232 CLGNAAGHTBVTEV-KKVAFCGZSA-N 471.539 0.591 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806851422 HNIQYPZUGKLMBK-IRXDYDNUSA-N 489.573 0.732 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810351283 IGUMIKAKZJQYFF-QMHWCDLVSA-N 460.531 0.247 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1810359656 FGVOHGKDPGGNBH-VRUFFWHVSA-N 472.502 0.168 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)[C@H]1c1cccnc1 1812875248 SSYKXFDCOMTXAV-HXOBKFHXSA-N 474.473 0.862 30 20 JCED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1820970079 WERARUDETURKHE-FZMZJTMJSA-N 456.467 0.643 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)N3CCN(C)CC3)sc2C1 1822683270 KUSVPKNSFOHQKK-KTYGHDLGSA-N 460.604 0.549 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCN2C(=O)OCc1ccccc1 1829243469 AJBLEELRHKCEAB-XMMPIXPASA-N 478.509 0.609 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1829263106 IXHPJIQVHDKEEV-MBSDFSHPSA-N 456.499 0.134 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)CCO2)C1 1830885895 MYPSPKQLCURHGJ-VUMVONDWSA-N 495.573 0.612 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccoc3C1)CCO2 1830923814 GWGQWXDBXAJUPG-BIJHHHAMSA-N 457.527 0.699 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)nn1C 1830957884 VRXBKTYYTNHDQL-XMMPIXPASA-N 467.526 0.678 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1831396970 MZHYRWVGBXXHHW-DKLXNKCPSA-N 495.573 0.165 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1831412068 BVKMAIKLXVVVRY-HSZRJFAPSA-N 492.598 0.331 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1831427238 QQKXDKYWWSCHDW-BXKMTCNYSA-N 470.526 0.595 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1831495790 MTROWTFMFZHVLR-OXQOHEQNSA-N 451.524 0.893 30 20 JCED Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831880439 OFBYNXAQYUEFEP-HSZRJFAPSA-N 453.499 0.749 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)CCO2 1833566676 PQNUKZRDWPADIV-QHCPKHFHSA-N 454.458 0.134 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2)C(F)(F)F 1833599565 MTGFTWNARDTRSI-GOSISDBHSA-N 477.461 0.674 30 20 JCED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834326496 CKXAQMSTIDUTHC-IBGZPJMESA-N 462.620 0.766 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834850520 CNGMIOUOOXDWLV-UZUQRXQVSA-N 483.562 0.865 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c1 1835447601 HITACFQKJIBNOA-HSZRJFAPSA-N 460.506 0.490 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CN)CCO2)C1 1835531489 QFVFOEBZOFTBDM-DZRGJMJISA-N 488.585 0.909 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CNC(C)(C)C)CCO3)C2)c(C#N)c1 1835617479 XSQXRKFWIXVFDV-DEOSSOPVSA-N 458.559 0.954 30 20 JCED NC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccccc1 1835817728 GKDPORRLVDZBEU-MUZGUSJISA-N 454.527 0.897 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)ncc1[N+](=O)[O-] 1836552572 OLMCOHFWNPSJFU-DSMHQBTASA-N 491.501 0.897 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3cc[nH]n3)n3ccccc13)CCO2 1836776434 SXJBAWZDEGPDEX-XMMPIXPASA-N 477.477 0.487 30 20 JCED COc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1F 1837489234 ABQHKVGPLREMAS-DEOSSOPVSA-N 475.517 0.998 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838165531 HCUCKTYAVHEEEJ-HUGLXHGBSA-N 468.457 0.959 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(-c4ccncn4)noc3C)CCO2)C1 1838491032 SHFAJDYHNMCQKD-SBUREZEXSA-N 469.498 0.548 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838763898 WHMRXRTVTRGJOZ-GOSISDBHSA-N 473.456 0.175 30 20 JCED COc1ccc(OC)c(CCCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839197017 DUIKJHCOLWKQCG-XMMPIXPASA-N 474.510 0.571 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnn4)C3)C2)cc1 1839364306 XUABFDLYMQBRLH-QHCPKHFHSA-N 451.483 0.692 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c(Cl)c1 1839424818 DLUFSTMZCOJIMG-OPAMFIHVSA-N 460.918 0.808 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489319 QUQRUHZCKJMHDX-PKTZIBPZSA-N 485.497 0.120 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1839665471 GSNFTXPGZKYSPB-MHECFPHRSA-N 465.510 0.641 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1839785270 MCLDAUDALPVDFJ-DHJUGAMNSA-N 475.567 0.961 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c3cccnc3)C2)C1 1839806248 HDAMMUZFKVFFDL-AUSIDOKSSA-N 458.515 0.737 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)cc1C#N 1839875472 YVJACVLDAOFQFT-CYFREDJKSA-N 470.526 0.552 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(-c4ccccc4)c4c3COC4)C2)C1 1840041794 IPVWVEFXDYRFIO-XMMPIXPASA-N 480.477 0.061 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)c(O)n1 1840104444 QVKFJYBLXHKTHL-RUZDIDTESA-N 486.569 0.988 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCN(CC)CC4)cc3)CCO2)C1 1840774121 NAUPHCDIQRAHQS-AMGIVPHBSA-N 498.624 0.937 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840906503 DBXDAFGKDUJGHE-KOSHJBKYSA-N 489.525 0.626 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1840906847 KOXIOSNNVCUHMF-UZUQRXQVSA-N 475.546 0.407 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1840907467 VZERHDIZMCKNNN-NTKDMRAZSA-N 489.573 0.715 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840909170 NVTYUQPBDQTJON-UZUQRXQVSA-N 492.529 0.154 30 20 JCED N#Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)cc1 1841007316 VFSSOUNOPCGHQW-VQTJNVASSA-N 495.605 0.874 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)/C=C/C(=O)c2cccs2)C3)n(C)c1=O 1841984524 IGPARRWJGYPZMN-VOTSOKGWSA-N 496.549 0.138 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842947067 UVZUPJGZOFRWQL-RTBURBONSA-N 471.558 0.654 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C1 1846301718 NUHZSKUNOFIYMY-KGLIPLIRSA-N 488.607 0.856 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1C(=O)C=CC1=O 1847942476 OHDUXRVWRINQEK-IKGGRYGDSA-N 460.531 0.973 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/C(=O)c2cccs2)n(C)c1=O 1848151321 OBGMFQYEGZOXOY-WHJWBVKISA-N 496.549 0.136 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)S(=O)(=O)c1ccccc1 24846744 QTJKVINYFKYDRH-UHFFFAOYSA-N 462.553 0.712 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1 514306564 LGLHSOYXKMQWFY-UHFFFAOYSA-N 461.547 0.245 30 20 JCED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 604506721 MOEXRWKPWGXSDP-UHFFFAOYSA-N 450.455 0.118 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CCNS(C)(=O)=O)c2=O)c1 608912830 GRQRTBDFXQYRDT-UHFFFAOYSA-N 482.587 0.909 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c1=O 610487117 DYIUKXBQSSCNQG-WMZOPIPTSA-N 470.595 0.988 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(F)F)CC2)cc1 747317736 WNIMVLAXNRCACS-HAVVHWLPSA-N 457.503 0.847 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COc2ccccc2O1 913300609 PNRWELJPMRKTIR-GDBMZVCRSA-N 459.480 0.724 30 20 JCED CC(=NNc1ccc(S(=O)(=O)NC2CC2)cn1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 914697435 FNEYPRVOHGZHGF-UHFFFAOYSA-N 467.529 0.721 30 20 JCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1OC 916935715 UEAMXGLQMONSRN-KRWDZBQOSA-N 486.506 0.785 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(Cl)ccc2OC)c1=O 917764175 RSAOLOOHMIVNPH-UHFFFAOYSA-N 488.997 0.709 30 20 JCED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1ccc2c(c1)OCO2 918818507 RTJHPGMAGVAUBO-UHFFFAOYSA-N 475.479 0.582 30 20 JCED CCC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1500130821 XAYWFPKMCCPECC-QRVBRYPASA-N 481.623 0.603 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCN1CCOCC1 1589295755 KADNCBMPOPPVNT-ZDUSSCGKSA-N 451.391 0.565 30 20 JCED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1623278019 NLPRLRFTJODIAA-GJZGRUSLSA-N 456.546 0.644 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 1631739092 VIOAHJTYNSRLMK-ZBFHGGJFSA-N 452.533 0.977 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1695946771 MIFIGBWSZRALBP-SFHVURJKSA-N 460.560 0.876 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1730419774 RFODBZDRIZPNOM-UHFFFAOYSA-N 473.559 0.147 30 20 JCED C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)N(C)C 1741125694 NAKDWXQOQXEDAH-CQSZACIVSA-N 454.578 0.836 30 20 JCED CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCS1(=O)=O 1760810893 SSDBOPWCFLBOJM-GVDBMIGSSA-N 452.581 0.961 30 20 JCED CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1768702735 ZQDYZSBOINDRJL-UHFFFAOYSA-N 458.548 0.990 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3nc(Br)nn3c2)C1 1777711731 OLNMFSCWVGXLLD-JLTOFOAXSA-N 490.314 0.707 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)c(C)n2n1 1777783032 UAGLSMDUGGEYBU-XMHVBLFMSA-N 454.535 0.656 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1778051616 KJZYFTUUXCIWOO-XCGNWRKASA-N 467.519 0.128 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2)C1 1778975432 ZQFLNUOCYLBKNV-XVTZWQNCSA-N 497.589 0.846 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1779063545 VVOQYTHBEGDDTP-HSZRJFAPSA-N 481.615 0.187 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779362914 WAOREFAFZGBYIK-BWOIMZOPSA-N 456.591 0.937 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779420503 UJEXJAUDRQJYLP-XWNYNWGLSA-N 452.552 0.944 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)c1 1780168974 XBTDWCRSCGVIRE-QHCPKHFHSA-N 464.482 0.264 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1780173653 BEPWWXLNKSGVMU-QFIPXVFZSA-N 450.455 0.213 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1780809374 VMRKCTPAARLZHP-DZCCDHAISA-N 451.612 0.937 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)N2CCOCC2)C3)c(Cl)c1 1781107531 LFMWUCOTFWBZQG-KJXAQDMKSA-N 476.961 0.990 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1781165818 YTLVNRNZYJIOBD-CPJSRVTESA-N 492.617 0.845 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781172885 IFYQEQQNHVYTBL-JOCHJYFZSA-N 459.572 0.423 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1781296069 QRRQLYYEVSPEQP-VGOFRKELSA-N 452.552 0.812 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(N)=O)C2)N(C(=O)OC(C)(C)C)C1 1783290266 HILOFENDYFISFI-YGKZAACZSA-N 479.578 0.734 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783440841 UNWUVLIVDWNDFS-XDHUDOTRSA-N 475.542 0.942 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)OCc3ccccc3)C2)C1 1783507785 AVNBDPWECBAQFP-PAOWDLQYSA-N 484.553 0.990 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(C)=O)CCO2)C1 1783883322 GTKMANZAPOHYMQ-KSFYIVLOSA-N 482.534 0.211 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)CCO2)C1 1783897502 LSVBXPCGFWQSLT-LDQAXMLRSA-N 477.583 0.907 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1784088480 GFJGWWKIHPZVFX-SAHWJRBASA-N 464.563 0.893 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C[C@@H]21 1784502260 KJMGTHSRRGZJDU-NTLWEQJWSA-N 456.543 0.911 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)O4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1784581828 WPVUBXKXHMTWPR-ATIWLJMLSA-N 478.546 0.640 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nnc4ccccc43)[C@H]2C1 1784898076 RRZPRYGJOAOLBX-ZWOKBUDYSA-N 455.515 0.920 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785308882 YVCGMUXPEWTYDY-VGSWGCGISA-N 452.552 0.812 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1785573295 XWLFICIOVFLYQA-SAHWJRBASA-N 462.547 0.259 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccnn3CCOC)CCO2)C1 1785574228 CAUSTZCSHIDOJJ-UUOWRZLLSA-N 489.573 0.890 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1785574967 WFSTVMQQDSCMIN-HJPURHCSSA-N 474.514 0.853 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1789891957 CBXQMIUBWOXFHR-VJANTYMQSA-N 497.589 0.751 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)C[C@@H]32)c1 1791985337 NRFMOGWKASVKRY-FCLVOEFKSA-N 453.499 0.459 30 20 JCED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cnnn4)C[C@@H]32)cc1C#N 1792057348 FVVFOCDCEBICBS-QRFRQXIXSA-N 453.503 0.625 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCSC)C[C@@H]21 1792258447 DTZQWZSFBOWPAL-FKSLSLAPSA-N 483.631 0.997 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795274440 BFVAODTYYDELIN-JTJHWIPRSA-N 457.527 0.513 30 20 JCED COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c(F)c1 1797808455 GPLLECWILWHGNG-WXKQYWHFSA-N 450.467 0.962 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)C1 1797812704 ZUPKBLUYKUDPHT-UBGAUGEBSA-N 480.562 0.972 30 20 JCED C[C@H]1Oc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)cc2NC1=O 1798583206 VOZOWJPDDUTUCT-DFYYWFRZSA-N 469.542 0.891 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(S(C)(=O)=O)ccc1F 1799856170 IXCHZMRVWSLAJR-KULPGCBOSA-N 479.530 0.291 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1cccc(Br)c1)C2 1800778466 ANGPWNRIOYVCEJ-GGNLRSJOSA-N 451.273 0.160 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)NCC(C)C)C3)N(C(=O)OC(C)(C)C)C1 1801104002 USAWKHHDDWRYAP-RDGPPVDQSA-N 478.590 0.914 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1804346201 IFAXLDNTRZRRMS-FTDNDNCYSA-N 455.519 0.157 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 1806699626 OEXKRWNCWYWBHO-UHFFFAOYSA-N 453.499 0.720 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1808450399 NQIKWNHYFLIBKL-REWPJTCUSA-N 457.575 0.844 30 20 JCED Cn1c(=O)c(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nc2ccccc21 1812877351 KZRLNILQWTZFCL-AOMKIAJQSA-N 459.462 0.736 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)ccc1F 1814807690 FAZVBKXWYDYWMI-HIFRSBDPSA-N 458.519 0.901 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)n[nH]1 1815921769 WVBAQFPNTKYPTQ-IAQYHMDHSA-N 454.443 0.496 30 20 JCED COC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819905369 ZUEJUPCDCIHCMT-OXGQNUSFSA-N 467.548 0.735 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC3CC3)CC2)n(C)c1=O 1825101901 CAXHHLHOBGHJNR-LJQANCHMSA-N 480.569 0.467 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828632118 DUUIBWINHWBFSB-UUOWRZLLSA-N 483.525 0.613 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCN2C(=O)OCc1ccccc1 1829023627 USBHWYXCANLVDP-QFIPXVFZSA-N 451.487 0.644 30 20 JCED Cc1nn[nH]c1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332199 CNWJAAIDLYFGTP-HSZRJFAPSA-N 480.481 0.267 30 20 JCED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1829758480 ITZWDOROCCGRCZ-HXUWFJFHSA-N 460.491 0.974 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1829769988 ARZFLKCDZRDGIT-XBKFQHLESA-N 453.499 0.491 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)cc1 1829902439 RLXMQEBGOXGPJB-NRFANRHFSA-N 454.443 0.502 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1829907764 PUYZZSVRZRAVOR-HXUWFJFHSA-N 468.432 0.236 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@@H](C(=O)OCC)C3)C2)C1 1831388453 SXQAADMBAKZBIR-PWSZPPJVSA-N 464.559 0.851 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832004855 QFSVZRZFJDYLLB-IECBHUPTSA-N 497.589 0.670 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832354217 RYHYLDKUZDDATL-YDIMBITNSA-N 461.559 0.272 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1832456888 BTSHNOUDTDBVOA-OAQYLSRUSA-N 459.528 0.079 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833272153 UULQERVWJGKTLZ-FXAWDEMLSA-N 480.606 0.482 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 1833630492 JUQQRLYBQZXANB-UHFFFAOYSA-N 462.591 0.953 30 20 JCED O=C(CN1CCS(=O)(=O)CC1)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1833713999 OYVXOADWEJPKQK-UHFFFAOYSA-N 486.638 0.340 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cncc(S(C)(=O)=O)c3)CC2)CC1 1833940963 KVZMNEHLLKYOMP-KRWDZBQOSA-N 476.599 0.709 30 20 JCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834606920 WEKWRPCLLSELGA-RBUKOAKNSA-N 490.630 0.042 30 20 JCED COc1cc(N2CCC(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)CC2)ncn1 1834756331 XBWZLSHXGJQRHJ-JOCHJYFZSA-N 458.519 0.072 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)[C@H](O)C1 1834760498 FJBPPKZETUODHE-MQNAVGNWSA-N 480.562 0.364 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338935 ZPTWVJKIMDWFDF-HXOBKFHXSA-N 478.546 0.382 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1835752542 LPFGEAGJYNGTTJ-UHFFFAOYSA-N 469.586 0.514 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)s1 1836080594 VTUOEECUXGUVEY-KVQDXKSSSA-N 467.548 0.374 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)s1 1836081690 VLIHZCTXZIYXJI-JOCHJYFZSA-N 481.538 0.907 30 20 JCED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836321881 OJGGJIACCHWJGP-HXUWFJFHSA-N 486.447 0.705 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3C)OCCO4)CCO2)C1 1836460011 CWTFOMUKYHUMTD-UUOWRZLLSA-N 458.511 0.875 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1837530550 NOHLFZNLAQBVKD-KZYSSINHSA-N 475.542 0.575 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)cn1)CCO2 1837830710 NFKXGNUTALICSM-GOSISDBHSA-N 452.261 0.002 30 20 JCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n(C)n1 1838043261 ITUATVPAXGRBND-MBIGCVILSA-N 463.535 0.582 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838415237 DUCNAACLKCBFHH-QFIPXVFZSA-N 488.570 0.108 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)cc2NC1=O 1838587930 JTFVWFSLHWWOJD-NSYGIPOTSA-N 499.568 0.758 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044043 IQFXQYRDVGBJJH-LAUBAEHRSA-N 482.628 0.302 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)c(N(C)C)c1)CCO2 1839114664 WXWILRPEDHVFQH-KWQGRVAKSA-N 486.569 0.690 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1839129911 PBUDUZDTAWGCCB-AXHZCLLHSA-N 481.590 0.911 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1839130891 ZOIJESSWUGBIMN-AXHZCLLHSA-N 494.589 0.274 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839133135 ZYCWMRPQTHZQTO-RUZDIDTESA-N 497.552 0.722 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccc1)CCO2 1839216704 KDEASKJIFAOPOT-NOZFXVHRSA-N 457.527 0.769 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(=O)OCC)cc1)CCO2 1839443326 AZHLGJZRICLIHF-HAAQQRBASA-N 485.537 0.792 30 20 JCED COc1ccc2c(c1)CC[C@@H](CC(=O)N1CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)C2 1840042680 HUZQEASUNIOPOD-IQGLISFBSA-N 470.522 0.735 30 20 JCED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1840322314 VKWYEYRTQLMHAR-HXUWFJFHSA-N 450.879 0.638 30 20 JCED CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2 1840762726 MLSJINFGXSGCJY-QHCPKHFHSA-N 458.515 0.552 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)cc1C#N 1840763342 XLTHGHZWZBGKKI-XMMPIXPASA-N 484.557 0.255 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1)NC(=O)OC(C)(C)C 1840795629 SXFZWFGZOQQBQT-SBUREZEXSA-N 498.577 0.658 30 20 JCED O=C1CN(c2cccc(C(=O)N3CCCC34CN(C(=O)C#CC3(O)CCCCC3)C4)n2)CCCN1 1842305265 RKTUPZXOMSWCBU-UHFFFAOYSA-N 479.581 0.924 30 20 JCED C=C(Br)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842884727 NJWORXUVEGXXOK-ZDUSSCGKSA-N 487.399 0.865 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C1 1845145621 WNFGCEJACQMXGD-IBSYWUHOSA-N 492.573 0.895 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cc1 603796383 QEMQYQIQKSHEDX-UHFFFAOYSA-N 454.596 0.826 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCc1ccccn1 608788426 XAWDFPKRIZTQIE-UHFFFAOYSA-N 493.501 0.476 30 20 JCED C[C@H](OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CCC#N 728721692 WHIDUOAMEFJDDH-SMDDNHRTSA-N 462.322 0.392 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c1=O 729671961 ZAHCBULPUFLYDU-UHFFFAOYSA-N 465.940 0.796 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)C1 913174162 XTKRZCSVLUJZRB-GOEBONIOSA-N 451.501 0.570 30 20 JCED CN1CCN(C(=O)c2ccc(CNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 915605610 JVELSMIAZAJBMO-UHFFFAOYSA-N 469.567 0.819 30 20 JCED CCN=c1nc(NCC)nc2[nH]nc(SCC(=O)N3CCN(c4ccc(C#N)cn4)CC3)n12 918389459 PCMPRHJXHPOEQG-UHFFFAOYSA-N 467.563 0.512 30 20 JCED CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 919034458 SEIRNBKWQZWFBS-UHFFFAOYSA-N 478.571 0.781 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)o1 919181899 NTULUHOLNAONOZ-FXAWDEMLSA-N 499.499 0.390 30 20 JCED N#Cc1ccc([C@H](O)CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 1167997185 YESJRSNQOLEZGC-OAQYLSRUSA-N 457.556 0.830 30 20 JCED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CCO1 1286947882 XOUOWCPHXSINKB-YBVWCTEOSA-N 470.530 0.610 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCCN2CCCC2)C1 1302479211 KSBOIYWKSMFOAD-GOSISDBHSA-N 451.597 0.837 30 20 JCED CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 1502356551 PDZLUSSRJCNNQR-OAQYLSRUSA-N 466.590 0.796 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1503287776 ZMZWBZRNTMTJDF-HNNXBMFYSA-N 461.548 0.335 30 20 JCED COc1cc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)ccc1C 1554750726 XSNFANGJYRDTLY-UYAOXDASSA-N 490.586 0.900 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)CC1 1615329248 VNKPHWYNLDHTON-UHFFFAOYSA-N 452.563 0.943 30 20 JCED C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1693860691 SYMZDUCFFURDBC-KRWDZBQOSA-N 460.560 0.684 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1706865627 BOXIBIAXCPEPTN-HUUCEWRRSA-N 458.610 0.986 30 20 JCED CN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1)S(C)(=O)=O 1729371478 KQHSZXSXXIAFJY-JOCHJYFZSA-N 490.586 0.740 30 20 JCED CN(C)[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCSC1 1747587675 XUYBVJNHIRSPJJ-XLIONFOSSA-N 483.664 0.788 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1747665773 XQXSGOAOVFHRPU-UHFFFAOYSA-N 473.559 0.147 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749269607 UIRVARCNXWNUJU-RDBSUJKOSA-N 460.944 0.298 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C 1752387725 KCOPNWQVOKKCEF-WMZOPIPTSA-N 487.586 0.677 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4ccc(Br)cc4n3)C2)C1 1778369948 XEDAQSZGIZBANA-LJQANCHMSA-N 461.272 0.628 30 20 JCED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1)c1ccccc1 1779189692 WNUIDLYDOUVAGR-DHLKQENFSA-N 457.571 0.300 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOCC1)C2 1779421335 IHIRPNNUTFOIJR-YLPSLRHHSA-N 466.579 0.752 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780190093 ITPXMGUEQSXKNK-OXQOHEQNSA-N 450.879 0.720 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)C2=NN(C)C(=O)CC2)CCO3)c(C#N)c1 1781173666 BJIJIWDDEOUMGJ-QHCPKHFHSA-N 453.499 0.547 30 20 JCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)CCO2)C(F)(F)F 1783203921 JYDAHSCSJICSSJ-NRFANRHFSA-N 481.475 0.970 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)C[C@@H]32)cc1 1783440535 LFJKSOUSYFHWMJ-VJANTYMQSA-N 453.499 0.069 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C[C@@H]21 1783531016 FQOLICXVEYBFDF-YSMJTFFMSA-N 494.589 0.364 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 1783995782 AHVSHMCAIWSMRD-DGGJZMOXSA-N 498.577 0.657 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1784309319 UGRZCAFSZYNELD-HTZUNMPGSA-N 467.592 0.994 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1784486690 HWVWPSVIJQBCIZ-XSLAGTTESA-N 467.538 0.963 30 20 JCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1784531263 BOPSAVZZRCKJFH-XLAORIBOSA-N 461.650 0.592 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSC(=N)N)[C@H]2C1 1786778948 BEOWHHMMXJCWSL-VGWMRTNUSA-N 467.592 0.509 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787500705 RDCGBLBJPNFZIV-KARBZBNUSA-N 453.565 0.569 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788658970 RPIVHPSSCCYSRC-PBMHTOEVSA-N 488.545 0.104 30 20 JCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1788775980 YDYALXQTUOJZNZ-MQGJPIDWSA-N 472.542 0.240 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(C#N)cc4)[C@H]3C2)CC1 1789572555 WVEPQCBMBUDHLC-ACRUOGEOSA-N 474.583 0.823 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1COc2ccccc2O1 1793264609 CUCNVWIYMSUULT-KOSTXOEESA-N 455.511 0.665 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O)C(C)(C)S 1794087796 MBFXCTQAXVUFCE-UMPJEAMMSA-N 497.618 0.778 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N(C)C(C)=O 1796458731 GQKJBSSTMIMJNQ-JWAVUCOZSA-N 478.590 0.912 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1C[C@H]2C[C@@H]2C1 1797640418 YCZLQUXOKHRLHU-KKNSKQTASA-N 474.602 0.833 30 20 JCED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12)c1cccs1 1798497776 ZAMLASNVDWEWSQ-IPHOEFGPSA-N 479.518 0.793 30 20 JCED C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236281 DMYWADHHJXEEGK-FJIDUMEYSA-N 463.579 0.712 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NCc1ccc(OC)cc1 1800278228 BZJZPJMCEDIAKC-ZHNFZGJGSA-N 471.554 0.720 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H]3CCCS3(=O)=O)c2c1 1800394908 ZTUMZIINGGOLRL-DACLVMHWSA-N 457.512 0.215 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800395393 AVFLERSADFOCPJ-MDMSPXHWSA-N 483.587 0.070 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 1800731939 CXMHUHFHLWGNBI-VZRUXMCCSA-N 469.604 0.919 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1800806046 KNMAFWJBOFSCSS-MTHXSQLBSA-N 493.605 0.228 30 20 JCED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc([C@@H](C)C#N)c2)CC1 1801766062 WNAPUHCRKCOXJT-MDTJBUOBSA-N 467.570 0.681 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C 1801969724 QJZMDHHAQINBAZ-QAMZQJBHSA-N 464.563 0.738 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cn1)C2 1802125181 SWVPRNBUMJBKEE-HIRMHNASSA-N 458.515 0.907 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809963700 HGHSFAQDLZSGKS-UHFFFAOYSA-N 466.542 0.961 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1810388866 RLRIACKZGXHSQA-BLSYLRCFSA-N 452.471 0.398 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@](C)(O)CC(=O)O)CC2 1814985674 OTZQYXQFYWCTEG-MPBGBICISA-N 451.549 0.953 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816673640 KCNFQLWOJFHLTC-NOZJJQNGSA-N 458.504 0.068 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1819710814 UWWCDVQCCFWGSR-NOZJJQNGSA-N 458.504 0.068 30 20 JCED CNC(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1828578915 FCRKXOJXYARFPY-OPAMFIHVSA-N 462.572 0.893 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1829260509 RDSQYAGUEWTEIE-SANMLTNESA-N 489.532 0.897 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1829266754 CPPOVUYJQRCEJV-OAQYLSRUSA-N 480.443 0.750 30 20 JCED Cn1cncc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332244 FRWXEFDLPRGNLR-XMMPIXPASA-N 479.493 0.574 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 1829342626 MDSHIEWHUJDTQI-IERDGZPVSA-N 483.612 0.801 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1829344835 CCCAVQYWCXCOIQ-HOIFWPIMSA-N 462.572 0.891 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1829770524 VSTYWLDHEHDSMA-GYLQWBMOSA-N 453.499 0.263 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCOC[C@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)C1 1830064421 LFERZIZCHZIEHY-XZOQPEGZSA-N 480.562 0.364 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1 1830216512 FCJVEZXDQLYLEI-DRLIWWMRSA-N 474.558 0.657 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1830345339 AAGDALRFWGFGDH-NHMXVPMISA-N 460.531 0.699 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CC1 1830468066 BFGIPYNNIHNBDZ-XMMPIXPASA-N 474.989 0.395 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)NCc1ccccc1 1831207454 LQBDGQKZTYJFNO-VMQHTIDMSA-N 451.523 0.729 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1831402436 YUMBYERPTGVQRO-PIYXRGFCSA-N 491.585 0.738 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)cn1 1831490377 BDPGUCSXKCMELD-LAUBAEHRSA-N 451.545 0.893 30 20 JCED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1832547633 IKMNHOZPWJWLPJ-SAHWJRBASA-N 477.514 0.000 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1833241694 CJYCKAUGBUTLCY-UHFFFAOYSA-N 491.032 0.550 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1833677427 IDVJOYKPGCNOES-QJKPHDSHSA-N 461.494 0.355 30 20 JCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834518864 TYGIQIJASDZICQ-UHFFFAOYSA-N 473.537 0.655 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1)[C@@H]1SC(=N)NC1=O 1834715265 MFVUGALRSLKRIH-YJBOKZPZSA-N 491.662 0.642 30 20 JCED Cn1cccc(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)c1=O 1834715411 CACNUDNSOFUKKJ-UHFFFAOYSA-N 456.591 0.852 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc([N+](=O)[O-])cc5c4OCC5)C3)C2)CC1 1835345686 UIQOJUAKTOEVMM-QFIPXVFZSA-N 456.455 0.903 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)cc1 1836128808 WKUJFXNGHVDLJT-QHCPKHFHSA-N 452.467 0.651 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836844898 KGQRHAPEAQSZCR-OAHLLOKOSA-N 465.576 0.826 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836848010 GBHQAMJJRLBTFT-KDOJCWGASA-N 472.502 0.328 30 20 JCED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c(C(F)F)n1 1837444116 ZFBUOINAAGMZFD-RTMRUCDXSA-N 468.505 0.899 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1837533223 LNGBOLKWNIMJRH-PONPZLSQSA-N 479.505 0.917 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837562803 QFOBUINNGWJDGN-NYNQOQISSA-N 452.471 0.511 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1ccccc1 1837616279 BZQVZRIQHJUOCO-MTQWNXOMSA-N 455.555 0.363 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1838604634 SJLRPLRBIFBEBI-QFIPXVFZSA-N 489.554 0.668 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C(=O)OC)s3)CCO2)C1 1839034110 PQALGRAEIPMBED-ZHRRBRCNSA-N 464.540 0.572 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839185632 GNVHAZHHWMCDQH-YDLHNXBPSA-N 496.605 0.025 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)ccc1F 1839186965 AZSZFUSUBDRAHW-HSZRJFAPSA-N 479.472 0.448 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1839227596 UXIBVYGSXNMPCF-IIBYNOLFSA-N 450.540 0.904 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1839622429 DQWYCKRTBSYYFX-DEOSSOPVSA-N 489.573 0.298 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1839652512 IOTBPDVIXLEGTL-JOCHJYFZSA-N 479.002 0.632 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(CC)COC1)CCO2 1839779837 QNBNRMWHMHJVEL-KOSHJBKYSA-N 479.574 0.786 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1839840356 AMDNXHQGCLRKCL-HTAPYJJXSA-N 465.572 0.908 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4C[C@@]45C(=O)Nc4ccccc45)CCO3)C2)CC1 1840036681 IYZGKPOBVGXWIP-VWMXVWASSA-N 450.495 0.657 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)C2)C1 1840043843 XBJQABJFDBUMAG-XMMPIXPASA-N 481.461 0.690 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1840108120 JWFATXSZIBWJBG-HOOSLVGPSA-N 494.589 0.603 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)ccc1F 1840358401 FIHXAHWVTLRRRY-QFIPXVFZSA-N 456.478 0.378 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840568067 CTKHYMMQBWVGPN-CYFREDJKSA-N 480.606 0.700 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c1 1840711968 PTCGJBDQFLPGLD-PWAGRJGVSA-N 454.527 0.910 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)C3)C2)CCC1 1840813052 ATTSHLCKZRRBJI-IQMFZBJNSA-N 471.514 0.143 30 20 JCED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818766 WNVMWQYODSBKLK-DVECYGJZSA-N 467.526 0.926 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1840819215 WNHFAUFTDYVQRI-ISKFKSNPSA-N 465.510 0.488 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1840906408 AXIMQQZBVCUHMM-FDDCHVKYSA-N 475.546 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1840906752 JIOAQHDGGFRXBC-AOMKIAJQSA-N 461.519 0.396 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842946663 WVVZVNHMVUIOKP-IAGOWNOFSA-N 463.579 0.479 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)(n2ccnc2)C1 1845868425 DTTOHIFLKQEEQG-XMMPIXPASA-N 485.541 0.901 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1846282466 PQRJESFOVCSXGX-LJQANCHMSA-N 494.556 0.884 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1847805323 VBSWYGFSFFYMRT-IKGGRYGDSA-N 483.550 0.518 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848033706 DTSRLGCYTIACSJ-PMPSAXMXSA-N 463.535 0.600 30 20 JCED CCn1c(=O)c(C(=O)Cn2cc(C(=O)OC)cc(C#N)c2=O)c(N)n(Cc2ccccc2)c1=O 31806296 HQVYQYWXYSBPAJ-UHFFFAOYSA-N 463.450 0.363 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccc(F)cc1F 604118320 DDHFEKUGZORUGN-UHFFFAOYSA-N 475.498 0.830 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)cc1[N+](=O)[O-] 609336693 GMLLAKIVLPVZTN-UHFFFAOYSA-N 466.520 0.607 30 20 JCED CC[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726404016 QBPGQTAETMWNKA-UGFDEYFYSA-N 483.616 0.573 30 20 JCED Cn1c(=O)c2c(ncn2CCC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)n(C)c1=O 726995638 RNLCXYHILKTVMK-UHFFFAOYSA-N 476.453 0.063 30 20 JCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc(I)c2)CC1 728570397 BYXVHOZTVJGTQT-CQSZACIVSA-N 454.312 0.985 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 729256728 FINMLBFFMCDITQ-UHFFFAOYSA-N 474.359 0.833 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 729672673 BHRNDEZLTUWRCN-UHFFFAOYSA-N 461.521 0.735 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CCS(C)(=O)=O 731204768 QHJSGEUSQUNVHA-UHFFFAOYSA-N 467.638 0.998 30 20 JCED CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 748407338 CRYUDHQJMZGMDB-INIZCTEOSA-N 456.542 0.956 30 20 JCED N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 771193192 XQRGHRDJSLTAAG-WBVHZDCISA-N 468.919 0.663 30 20 JCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)C(=O)N2CCCC2)CC1 917339784 CLSBLVWCPDPPRI-UHFFFAOYSA-N 489.598 0.579 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 920466202 FPDVPSJEISFKQS-OAHLLOKOSA-N 472.523 0.556 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)N(C)C)CCCC1 1286968260 JSZZPYJLDKNCDF-SJORKVTESA-N 481.623 0.855 30 20 JCED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1297822559 JBITVFRFAYXXML-MGBGTMOVSA-N 473.603 0.708 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCOC2=O)C1 1316354856 IVUZALWLDCYXBM-QGZVFWFLSA-N 481.579 0.583 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1359150440 YMQBTTRAUGLXMG-CABCVRRESA-N 460.988 0.859 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1554511448 PCSTTZQUEVOOQA-UHFFFAOYSA-N 469.518 0.665 30 20 JCED COC[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555236525 CNSDGCGSXZBOJW-BPQIPLTHSA-N 467.596 0.070 30 20 JCED COC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1)OC 1555257652 XFZDNRUKFZOAJV-OALUTQOASA-N 478.575 0.780 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cn[nH]c2)CC1=O 1555598017 ZEIDITMFCLYFSF-UHFFFAOYSA-N 450.503 0.990 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1COCCO1 1611709693 WFUHZRIKCXJHRB-PXNSSMCTSA-N 489.602 0.498 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1697024074 WSPMPMJDMQFSJO-LJQANCHMSA-N 486.602 0.948 30 20 JCED C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1708278802 JWYVWOAIMVKLLA-VGSWGCGISA-N 490.586 0.740 30 20 JCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1761037353 COLAUYQSJKXUNK-FQEVSTJZSA-N 464.574 0.917 30 20 JCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C3)c(C(F)(F)F)n1 1777755616 MVPVFNBXTQHKPL-GCKMJXCFSA-N 496.490 0.692 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779072786 MOMJSBZBHJGKRT-NFBKMPQASA-N 475.473 0.565 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)N2CCOCC2)C3)ccc1F 1780755294 AOJNQZLKQMPPDJ-JCTONOIOSA-N 474.533 0.404 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1781112805 DZZIKSZBXQFDNJ-QSAZIKIQSA-N 473.530 0.558 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1781114742 LVAKDPFRSIQXAL-DGGJZMOXSA-N 462.547 0.738 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c(C#N)c1 1781174220 JEIBGVKNKQSUEN-QHCPKHFHSA-N 452.467 0.652 30 20 JCED COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192595 MGIPYBMSAXXOST-NRFANRHFSA-N 457.512 0.784 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873424 VDDLOKNAQRFTIO-SVQXRNPESA-N 464.588 0.209 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C1 1783278271 YILIKOMFRSIQSN-SEPYTNNBSA-N 479.578 0.475 30 20 JCED C[C@@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783521109 PJPVFKWXGPPTLP-ZHRRBRCNSA-N 450.536 0.738 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567446 PNMHNOKKYUZJIP-IBLNIGRDSA-N 491.541 0.176 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(C)=O)CCO2)C1 1783885298 YERRFCOUOUMKEV-HRAATJIYSA-N 454.524 0.642 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)CCO2)C1 1783899137 ZFYGFEADRPTUGR-ZJTDPSCFSA-N 467.592 0.994 30 20 JCED CC(C)(C)OC(=O)Nc1ncc(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)s1 1784369041 IXLNVGONTJDBKQ-NRFANRHFSA-N 478.527 0.951 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]3C2)c(O)n1 1784441511 SAGUTEJSOFIKNU-FVCZOJIISA-N 494.614 0.827 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C[C@@H]21 1784486745 MWRFYNWIFJUNRL-JAZQRGJZSA-N 479.574 0.640 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCSC(=N)N)[C@H]2C1 1786851664 VRKRKFIFMWSKPU-NXOAAHMSSA-N 481.619 0.899 30 20 JCED O=C(O)c1cnncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788888643 NXQSDZIHOXUTNK-CJBCDRGWSA-N 461.475 0.297 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789762710 HMKDZQAMXIQHBR-PXQJOHHUSA-N 492.617 0.386 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792109007 NZGBLVKAPCZEJS-BCYZHJNNSA-N 466.579 0.960 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1792255406 LYPGESPEEGUUNY-NXOAAHMSSA-N 450.536 0.019 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1792258383 BXWQMESPSNCJAP-FPSMNIFISA-N 475.550 0.130 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3)C[C@@H]21 1792262001 VLBUMZPDGVICDS-OKYOBFRVSA-N 457.531 0.987 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1792793863 KMNZSMIEXSSZRW-KXJCHZFLSA-N 484.619 0.788 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793086039 LUUQUHXWKMJMTF-DFBDCSAJSA-N 455.552 0.443 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1793342815 TWVRJGOGVKNQIO-QSNWEANLSA-N 467.526 0.121 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793431913 BLSOZEFWLLGGMP-BFMVXSJESA-N 478.590 0.784 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1)c1ccccc1 1793837368 ORQQBUASOWTWGL-JTOYRKQZSA-N 487.622 0.504 30 20 JCED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1794249753 QWYNACGDFUOGGA-BCDXTJNWSA-N 468.558 0.840 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCF)cn1 1794410551 UYHHPNAZQQXWCT-VPTLXERWSA-N 455.446 0.936 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C[C@H]2OCC[C@H]21 1795083925 QEYYPJQNVUPVNL-ZGRIBIJBSA-N 462.547 0.904 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O)NC(=O)OC(C)(C)C 1796350080 OLPQLCFPIJJDOQ-KRXQYRFLSA-N 491.545 0.951 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC)NC(=O)OC(C)(C)C 1797589199 CWIQPCLNLZRNDU-LLJHKCNDSA-N 498.577 0.500 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693529 KAESFYZGUCWOFA-MVJTYMMSSA-N 461.519 0.629 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)N2CCN(C)CC2)c(O)n1 1799179632 HCZVAXTXJTUOAD-NXWNEQKCSA-N 471.602 0.745 30 20 JCED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1800489186 GXYUDGNSULVAQN-AFIMGQEJSA-N 450.499 0.986 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1802084943 FSJAZBKTAVLSJM-YALNPMBYSA-N 452.508 0.336 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C#CC(=O)O)C3)C2 1802154104 NOHDOJIOTCEIBV-ZYABLZSBSA-N 461.515 0.452 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1807152026 YYEXBVFNJBTFAT-OTWHNJEPSA-N 461.588 0.946 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1811894418 WQVVLVRWRNQGHY-JTHBVZDNSA-N 451.527 0.559 30 20 JCED Cn1ncc(Br)c1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812876956 CIUWTNSEEZIJEO-GUYCJALGSA-N 460.288 0.985 30 20 JCED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1)c1cc(=O)n2[nH]nnc2n1 1817815422 BVIYHGDDMMCWEE-INIZCTEOSA-N 479.501 0.540 30 20 JCED CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1)C(=O)C(=O)O 1819456515 KHLNSPPQJMWAKR-ZPDKBZPCSA-N 464.479 0.474 30 20 JCED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)CC1 1825235027 YQSBLGHTYDOTMK-QAPCUYQASA-N 456.499 0.700 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNC(N)=O)CC2 1828286444 IXYALJKHOBGXAY-YPMHNXCESA-N 464.548 0.640 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ncn(C)n3)C2)C1 1828581117 ZPBBDLISTQYQDW-DFBJGRDBSA-N 494.552 0.919 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1829132774 DTOPVSCENOPSTK-LPHATQMZSA-N 487.557 0.221 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829302778 FMZLTKFQDXHSRC-UQBPGWFLSA-N 484.553 0.742 30 20 JCED CNC(=O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCN2C(=O)OCc1ccccc1 1829340873 RUOGHEOPWKJPEL-OPAMFIHVSA-N 462.572 0.893 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1829770359 LHDPETOVPMCENA-UZQCKINESA-N 453.499 0.263 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)ccc3C)C2)C1 1829771883 ZBZDCTLESXMSSG-IBLIISRWSA-N 457.527 0.932 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)O2)C1 1829848101 YUFBKKBYAJSJOY-HXOBKFHXSA-N 478.546 0.525 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907651 NQJDJZBPVYFOHA-RCZVLFRGSA-N 494.552 0.028 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468156 FWUUBUPFRGBZRV-AVRDEDQJSA-N 462.934 0.595 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831396380 DNMNHTRNQHFJIL-UUOWRZLLSA-N 455.511 0.604 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1832000427 OXJGHQJUHASOEX-CEXJFXJFSA-N 482.578 0.437 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1833451280 FHPSZPPJHFPNRX-DLBZAZTESA-N 473.640 0.687 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1833478394 VINPEDXDWBCJLP-KKSFZXQISA-N 467.563 0.644 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833969196 JLDGIRYKECMKJA-ARJAWSKDSA-N 470.530 0.218 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)=O)CCO2)NC(=O)OC(C)(C)C 1834726740 ZBICCSLIEYPFTK-VGOFRKELSA-N 453.536 0.891 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)N1CCN(C)CC1 1835102763 XLHHTCIRMRBOAY-SQJMNOBHSA-N 454.571 0.130 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835657356 NQPYLVAJVKZVHT-KSFYIVLOSA-N 497.618 0.376 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1 1835680684 NTTCANBQJAKMOV-QFIPXVFZSA-N 460.535 0.227 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1835716998 HKYPLGHCBNZUAB-DENIHFKCSA-N 463.667 0.767 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CSc3nc[nH]n3)CC2)CC1 1835769110 TWTQQGNVTKXURA-FINLKQIMSA-N 479.607 0.997 30 20 JCED Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)n1 1836055533 PHPZEKRHJRGBPG-XMMPIXPASA-N 451.527 0.923 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cncn4)CCO3)C2)c(O)n1 1836133468 FYEBTZHAHDHIPN-JOCHJYFZSA-N 456.503 0.268 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)CCO2 1836289944 PVFBEUFVKVWTEU-RUZDIDTESA-N 494.552 0.049 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837294940 RQCUUISGXWKTQV-MAZQNEQHSA-N 484.509 0.036 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837529363 RWXKRTGEFZJUTR-LLAXKVQCSA-N 472.502 0.328 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)no1 1837549137 MPCGUBINPJEITB-HSZRJFAPSA-N 467.482 0.355 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837566727 IQCWJTMNLFETCH-MEXCQQPDSA-N 454.483 0.568 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1837582650 YPPUFHCRLLATDC-UHFFFAOYSA-N 487.557 0.748 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838321707 YTIWDVZIKODGEY-ZHRRBRCNSA-N 479.534 0.999 30 20 JCED COc1cccnc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838732388 NYXMGQMUQFUOFQ-HSZRJFAPSA-N 453.499 0.993 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838827261 BYLDLMCNFITHIZ-FQEVSTJZSA-N 450.448 0.502 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)N1CCN(C)CC1 1839103119 FRBHHRQOUDWWFX-NBGIEHNGSA-N 469.586 0.459 30 20 JCED CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131312 WIFJZHFFHCAQGF-DEOSSOPVSA-N 493.605 0.545 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C)c([N+](=O)[O-])c1)CCO2 1839189646 XKSNFODVOAYNAM-POUSAUBHSA-N 486.525 0.761 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839212656 GAPNEVPOQSHFNF-RDPSFJRHSA-N 454.527 0.568 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)c1 1839421088 VIRBLSHIRXSEJF-QFIPXVFZSA-N 465.445 0.519 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c(Cl)c1 1839424413 HSTDRAZYJRDWCP-WIYYLYMNSA-N 481.958 0.859 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnn6cccnc56)C4)C3)c2c1 1839488553 YOHPNVOYIPPQTH-XMMPIXPASA-N 486.492 0.861 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839498586 FIYXXTZZHQCEDO-XTVKVDEJSA-N 454.531 0.876 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839692495 ZZRKRTFYOSPFIF-MHECFPHRSA-N 458.559 0.431 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(C)=O)CCO3)C2)c(C#N)c1 1839885354 RDCZJJVLITZJNM-HSZRJFAPSA-N 458.515 0.092 30 20 JCED COc1cccc(-c2ncccc2C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041667 ANCHVYDJWFJWIU-RUZDIDTESA-N 479.489 0.915 30 20 JCED COc1ccc(Cl)c(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1840044219 QNGGAVPJVNLHPX-OAQYLSRUSA-N 468.865 0.575 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1840179417 MIGMPRIDKZTVBC-CSKBXNHDSA-N 480.539 0.559 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(OC)OC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251897 DERAKGVPNSCRKT-GAJHUEQPSA-N 483.562 0.627 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840839718 BFRYYMSKXXJFJK-KHCICDEESA-N 479.574 0.474 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840902323 JVPZVZHEEAZSRT-OSPHWJPCSA-N 465.510 0.775 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@](C)(O)CC(=O)O)C1 1846383630 OQLPVPYHRQCCSH-BTYIYWSLSA-N 451.520 0.722 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1=O 515175052 GPXXHBLWXSMNLY-UHFFFAOYSA-N 457.443 0.668 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1C1CCN(C)CC1 518716282 LHFSADMZDGADIU-UHFFFAOYSA-N 460.943 0.808 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522538088 VETGIQSLCQGBTD-UHFFFAOYSA-N 488.616 0.696 30 20 JCED CNCCCc1[nH]nc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1C#N 561801354 FDMKQWICWHOSEX-UHFFFAOYSA-N 460.560 1.481 30 20 JCED N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O 589157017 BLBNPPDLPSBZTA-UHFFFAOYSA-N 475.482 0.445 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C2CC2)CC1 590998082 CXISYOONPQRLOC-UHFFFAOYSA-N 498.605 0.938 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1 603997142 XGLOHVJCZBHKEQ-UHFFFAOYSA-N 482.606 0.985 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1CCc1cccnc1 609038307 MCMDLCVMYFKEAA-UHFFFAOYSA-N 464.547 0.822 30 20 JCED O=C(CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1)NC1CCCCC1 728535496 IAFNASHQAUIWFQ-UHFFFAOYSA-N 461.588 0.708 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cn1 729030271 DFNGFTGAYFRNJP-UHFFFAOYSA-N 473.507 0.770 30 20 JCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)c1 729672681 BSVPLOWLGRLPKS-UHFFFAOYSA-N 478.592 0.708 30 20 JCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)C1CCN(S(N)(=O)=O)CC1)CCCC2 915388393 ZLSQTRUOEXGPLZ-INIZCTEOSA-N 493.586 0.815 30 20 JCED COc1cc(C=NNC(=S)NCCCN2CCOCC2)ccc1OCC(=O)N1CCOCC1 916310458 UBGYNEMRGYQNLF-UHFFFAOYSA-N 479.603 0.453 30 20 JCED N#Cc1cccc(OCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 919416107 VTUCLKPWUDWEFT-UHFFFAOYSA-N 488.478 0.922 30 20 JCED CCn1c(O)nc2cc(C(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)ccc2c1=O 919460516 KXMKSTNHUJZJRE-UHFFFAOYSA-N 466.454 0.796 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)CN1CCOCC1 1360602605 PPFUZDCTCXVZRC-LJQANCHMSA-N 481.605 0.978 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1517437384 REVDJBIDOCLHQP-OAHLLOKOSA-N 467.596 0.513 30 20 JCED CC(C)(C)[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541235659 ZASUGKACJBIVRD-PRULCUDISA-N 468.649 0.904 30 20 JCED CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1)S(C)(=O)=O 1554125415 VSVMZFNHRVPFQX-UHFFFAOYSA-N 455.548 0.854 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1611707852 ZSJNNFVDBLALQE-KDOFPFPSSA-N 490.565 0.843 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1617573956 NFRQSEVUARPURN-WWMYMODYSA-N 481.598 0.565 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1695910480 YNHGCMMOMYQIRV-GDBMZVCRSA-N 466.612 0.227 30 20 JCED CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CCN1CCOC 1709328725 LXVBPMDDBWBEQU-IBGZPJMESA-N 461.592 0.913 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1741133783 ULCZTHKVXWQGPR-MAUKXSAKSA-N 462.580 0.716 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(F)(F)F)C1 1750211696 RGCDLEWBENDDNE-UONOGXRCSA-N 463.486 0.350 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778846702 NYTXATSLIKIHSK-OYHNWAKOSA-N 477.566 0.619 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779422770 NYZAMUNNQDXRPQ-BALLJRPXSA-N 452.552 0.896 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1781354479 UNLIMZUHWNXBIT-KSFYIVLOSA-N 461.519 0.606 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1783459866 XQFRNIOPZLLRPH-APKRYKPQSA-N 488.585 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C[C@@H]21 1783528302 LNIOYJBHVBPIGS-WIUBPFIVSA-N 495.624 0.890 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC(C)=O)[C@H]2C1 1783584047 UOLQBWJEGZGDIW-KNJMJIDISA-N 478.590 0.797 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783764808 BSBXAMHMTJOVDW-OSPHWJPCSA-N 490.557 0.601 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1783772088 ZGGOQCASAGHYCE-QZMQVMSPSA-N 464.563 0.812 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)[C@H]2C1 1784122280 KJBICKLQQUKZBJ-PAPPXSOASA-N 491.610 0.680 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1784510809 WNLOLCDEFQTSIW-FPSMNIFISA-N 482.578 0.326 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CC(=O)NC4=O)[C@H]3C2)c(O)n1 1785028225 JKQGTJLBSPCANX-WBAXXEDZSA-N 471.514 0.051 30 20 JCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1785428492 ARBSIRTWAVBPFR-YDHSSHFGSA-N 456.499 0.502 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785541417 UIRFPPJARARVRW-HGVBPILYSA-N 470.573 0.206 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCCNC5=O)[C@H]3C2)ccc1F 1788255216 HCGNYJNWDHTMIY-ZJBJCVSYSA-N 494.527 0.863 30 20 JCED CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2C1)C(=O)C(=O)O 1788595735 PHEUHSGGOUQGNV-BZSNNMDCSA-N 465.623 0.560 30 20 JCED O=C(COc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1790590257 AVJYQJUSNCASGY-BZSNNMDCSA-N 458.515 0.239 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)CO2)C1 1791077953 NWDYKMQBTDIRGN-MHORFTMASA-N 491.541 0.080 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccn3C)C[C@@H]21 1792261188 BMDHWDXIXNVSIE-FJIDUMEYSA-N 459.547 0.930 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)C1 1792970846 USFOCRGBLDEIDZ-ZAAQXFHHSA-N 451.520 0.694 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccnc2C(N)=O)c(O)n1 1794266088 PJHKXUZXPYVNFE-CCWDJLKJSA-N 465.510 0.917 30 20 JCED COC1(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)CN(C(=O)OC(C)(C)C)C1 1795417895 MJFFYTFKXQYXTO-HGKCTWBKSA-N 450.536 0.906 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796358845 QNCPJYLVCSUAJW-LOUJCGABSA-N 475.502 0.008 30 20 JCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799196057 FBCXNYUBPHLQFI-TWHPPBISSA-N 463.575 0.997 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1799354096 QGJAIYVPAFKMPH-JCECYMMASA-N 470.567 0.653 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799411828 WNCWWTWULTVZGH-AJYBTWMASA-N 474.562 0.565 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2)c1ccc(O)cc1 1801051190 CLPSHUIVYCCHNZ-OVCNXMPXSA-N 468.510 0.031 30 20 JCED Cn1ncc(I)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801980444 DJVXSTGARNLSSK-DABQJJPHSA-N 483.310 0.922 30 20 JCED O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1804089517 KMGXTHULNXNOMC-JZDMFWLRSA-N 452.471 0.351 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807357110 DIIHIMWRMMODMI-JXFKEZNVSA-N 479.497 0.642 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1808439337 MDQODRAKQDWECB-OXJNMPFZSA-N 479.497 0.642 30 20 JCED N#Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)ccc1F 1808561094 NXUXZOYOZXAPLN-CJFMBICVSA-N 483.544 0.627 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[C@H]1c1cccnc1 1812877717 PZPLCWTVCQXPBS-YWZLYKJASA-N 485.460 0.373 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1)C(C)(C)S 1812983614 BXTPYPBIILEBIH-ARFHVFGLSA-N 482.603 1.000 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1814060126 MTXJIYYJXCFYBR-WZONZLPQSA-N 476.493 0.590 30 20 JCED NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1(O)CCCCC1)CC2 1821037005 RRXRPNCQIYATKZ-CYBMUJFWSA-N 468.539 0.956 30 20 JCED C[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)n[nH]1 1821780708 QNLMYPNUHXXRSZ-DDHJSBNISA-N 480.616 0.900 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)CC2 1822918746 ZIMFTKOWSJEXSQ-OLZOCXBDSA-N 472.589 0.892 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825324570 XVMMTAXEGLJEAG-VBROQKIQSA-N 478.596 0.842 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1 1825664532 IBPPBRAVWDXEGU-CYBMUJFWSA-N 461.521 0.925 30 20 JCED O=C1NC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCN3C(=O)OCc3ccccc3)C2)O1 1828571481 KRHVTYZTPMSOTG-NBGIEHNGSA-N 480.521 0.960 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829908531 HMIUZZRNHKHKJJ-QPPBQGQZSA-N 456.543 0.862 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c(O)n1 1829947975 DOYXUOQZONSKEV-BXKMTCNYSA-N 472.542 0.502 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831392326 KEDUPMXZPXTWGZ-GLDPYIMESA-N 479.574 0.738 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1831393681 ZUEQLQFMXQYZRW-OPAMFIHVSA-N 474.539 0.173 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1831401752 DVEAAONOZBYUGT-NBCNXNJRSA-N 450.919 0.868 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1831437560 CXXFQWQITIWSRH-HOOSLVGPSA-N 499.605 0.698 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831460826 JBVRGWIQJZGKNY-VFNWGFHPSA-N 483.974 0.962 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)c(O)n1 1831599770 SRJPRXWPQUQJCS-MWTRTKDXSA-N 460.531 0.487 30 20 JCED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)c1=O 1831889757 CJTMKYPCXMZADC-DEOSSOPVSA-N 450.495 0.835 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)c1 1832380627 IASNQMKYWXBPMU-OSPHWJPCSA-N 467.526 0.992 30 20 JCED CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1832544337 FUMQAPZKDMXQEW-QHCPKHFHSA-N 477.514 0.098 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(Cl)c(CC)nn1C)CCO2 1833590708 MROCMZYFRQMDML-ICTHTSFCSA-N 479.965 0.564 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)c(O)n1 1833698270 BOCGOHAFECAFFE-RUZDIDTESA-N 488.585 0.698 30 20 JCED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)cc1 1833766690 SJTLRPPKCOSHFR-FQEVSTJZSA-N 466.542 0.536 30 20 JCED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 1833777082 ZZWVFEVUSBRINZ-KRWDZBQOSA-N 499.616 0.218 30 20 JCED Cc1c(C(=O)N2CCC(N3CCC(NC(=O)C4(C#N)CC4)CC3)CC2)cn2[nH]cnc(=O)c12 1834600821 GGBSBIVFQTWQBW-UHFFFAOYSA-N 451.531 0.820 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc(OC)c1)CCO2 1835027115 KFPWVADVXGACSH-WEHRJKGCSA-N 457.527 0.553 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116806 CCARAOXONXSPSK-SFHVURJKSA-N 470.636 0.575 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCOC[C@@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)C1 1835347665 BPTAVHIDWFTDMH-DHIUTWEWSA-N 478.546 0.118 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835439097 AKQAGNHVNTZEPX-UZFJHSOTSA-N 480.562 0.000 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCNC)CCO2)C1 1835668138 UHVYSZKPEMVEAF-DQMJNTIXSA-N 480.606 0.912 30 20 JCED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1)C(=O)O 1835766645 SJZCXSHNYFMSLS-ZDWFVDTJSA-N 458.515 0.446 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)c1 1836259070 AJORAJKVFSHNSK-HSZRJFAPSA-N 499.549 0.402 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836847867 ATEYBFGIKRUEIR-SGCYSOCQSA-N 455.519 0.271 30 20 JCED CCc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1F 1837524306 FEPVKKFPRLVFDG-FCKCSMDESA-N 467.498 0.710 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837524412 AORSYGYETXFTAL-REWVYZQPSA-N 462.503 0.689 30 20 JCED CCn1nc(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527324 LHUKSAQPBQWQIG-MBIGCVILSA-N 463.535 0.810 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1837530910 SWJQJCPKWYBCOF-BUUPASLGSA-N 498.540 0.866 30 20 JCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533212 LGGQSKRIINRKBP-OJIPKMRZSA-N 477.562 0.565 30 20 JCED C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837743915 WZCINCVDOZYEPW-KQLUBGJGSA-N 458.563 0.810 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Br)c1)CCO2 1837811700 GJVDMDGZKZETMW-SFHVURJKSA-N 452.261 0.002 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048549 GTVISIYDONVBIT-DYDKCZJOSA-N 486.529 0.257 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1839109665 PIBIHVOSXLSEGF-YVHKJVDXSA-N 453.536 0.247 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4C)C3)C2)c(C#N)c1 1839131588 MNMJHBHEFKJLBI-VWLOTQADSA-N 480.521 0.578 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839185391 YIXBHXCGEZFXIF-FDDCHVKYSA-N 492.577 0.594 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187662 PSFJMVVILXAKGI-MWTRTKDXSA-N 458.490 0.387 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1839222979 HACNIFSHGLQRAZ-LRDDRELGSA-N 471.404 0.599 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C(=O)O)ncn4)C3)C2)c1 1839451351 OKQKJGLPTIQLKF-HSZRJFAPSA-N 465.466 0.739 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc[n+]([O-])c5)C4)C3)c2c1 1839487402 HJQBWNTXIOOBDZ-HSZRJFAPSA-N 462.466 0.452 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839622956 FICWGITUCCJYRV-OXQOHEQNSA-N 451.524 0.893 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839624500 KCRCNNMCIZXOAX-YCRPNKLZSA-N 462.482 0.739 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839648862 MIISZRYETUWGGV-YQKALOBUSA-N 492.573 0.399 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)cc1 1839718039 XEBCMOZPVNLUFS-XMMPIXPASA-N 495.492 0.327 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1839809772 KVIAZWGXCQHIMX-XMMPIXPASA-N 467.522 0.171 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)COc3ccc4scnc4c3)C2)C1 1839810362 SQGDWYBDQUCMOG-QHCPKHFHSA-N 486.550 0.271 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840077934 UDNFLNCDXLXXKD-DEOSSOPVSA-N 475.542 0.698 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1)c1ccccc1 1840263633 VCLKLADIQGRCSI-RLWLMLJZSA-N 479.533 0.565 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCN(C)CC4)C3)C2)c1 1840714923 LYRLWVCMXWGLIA-NLFFAJNJSA-N 469.586 0.631 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1)NC(=O)OC(C)(C)C 1840795339 COGPCXNGARMUSB-MBSDFSHPSA-N 492.577 0.594 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4ON=C(c5ccccc5)O4)C3)C2)CCC1 1840813858 AGPFTOLEYDBLGT-REWPJTCUSA-N 454.483 0.871 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC(c5ccccc5)=NN4)C3)C2)CCC1 1840815286 HLAJJGTVGYSNRQ-YKSBVNFPSA-N 451.527 0.903 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)nn1C 1840819859 KEMAYOMZNNOVQS-HSZRJFAPSA-N 469.498 0.449 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1840957909 BLOJTKZRAHXYMR-HSZRJFAPSA-N 457.483 0.612 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1842061693 WGXIQLOBQKXZPD-INIZCTEOSA-N 457.487 0.466 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1844238166 LWYPPNRWUZXSPB-OAHLLOKOSA-N 474.583 0.618 30 20 JCED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2)NC(=O)OC(C)(C)C 1846934166 NCNGKDHCUYFDEL-LSDHHAIUSA-N 463.535 0.647 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)cc1 603930725 KQRAHDWQQUVOKX-UHFFFAOYSA-N 451.486 0.625 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(N)=O 608911558 JBRIVDGPRRQGGZ-UHFFFAOYSA-N 475.368 0.719 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCc1cccnc1 609038840 XQMDQHXBYQTIPI-UHFFFAOYSA-N 485.547 0.783 30 20 JCED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 609358034 ZLSSKCAOCQKVKV-UHFFFAOYSA-N 464.482 0.881 30 20 JCED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CC2CCN(S(C)(=O)=O)CC2)cn1 726110540 HGWNNNWSKBKUIV-OAHLLOKOSA-N 456.594 0.642 30 20 JCED C[C@@]1(c2ccc(CNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cc2)NC(=O)NC1=O 726170485 VWFGBCJCUGZCDN-QFIPXVFZSA-N 469.523 0.876 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)CC1 728573535 ZGGJRGYEMAJIFO-KRWDZBQOSA-N 451.449 0.660 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(Br)c2)c1=O 729675234 WAIJGSKZVIACHT-UHFFFAOYSA-N 496.408 0.499 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CCOC 797641478 YZQSQTWIVAKBFO-UHFFFAOYSA-N 451.932 0.484 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 834853333 HFODDEPPPHQDSK-UHFFFAOYSA-N 478.527 0.840 30 20 JCED CNS(=O)(=O)c1ccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 1136146406 XIECQZKDYQPCAF-LLVKDONJSA-N 456.571 0.790 30 20 JCED CC(C)NS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1509783075 RSYZQRYBYFMUEG-KRWDZBQOSA-N 464.596 0.018 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C 1541803622 KFETZLIPGUUKCC-GJZGRUSLSA-N 455.585 0.654 30 20 JCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN1CCOCC1)[C@@H]1CCSC1 1569863827 YWMBXXRWPHDAEL-SJLPKXTDSA-N 452.602 0.891 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C2CC2)c1 1617706278 RJUJXVMNZJZUKZ-KRWDZBQOSA-N 473.559 0.450 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1698310547 QJIVVKUIPBSELZ-ZWKOTPCHSA-N 457.560 0.942 30 20 JCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722485129 QFCLJNKDUUJFGF-CQSZACIVSA-N 468.356 0.712 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1723612282 KSCMGVYUZKUOIO-AOMKIAJQSA-N 454.535 0.549 30 20 JCED CS(=O)(=O)c1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1750191942 XOBQAHADRWJNCK-DLBZAZTESA-N 479.584 0.555 30 20 JCED COCCN1C[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1=O 1769885280 YKIPKHYZSKCTJY-MSOLQXFVSA-N 464.592 0.805 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)CCO2)C1 1778970115 FOTITQSEHBWEDM-KBMIEXCESA-N 498.584 0.583 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1779444591 FKRMDFKEVFKXHT-WYNQEVMMSA-N 451.545 0.790 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1779685115 GOMNQGFRYGVBBH-FUMRIQNTSA-N 450.499 0.569 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1781047269 QNAYQSOCIYQREO-RPLGYBLPSA-N 453.536 0.382 30 20 JCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)N1CCN(C)CC1 1781097701 OVKBSQJVMXPKGI-DVECYGJZSA-N 455.559 0.403 30 20 JCED CN(C)CC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170043 LTMAOJYTVUDWTH-HSZRJFAPSA-N 463.579 0.919 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)CNC(=S)NCC)C3)C2)N(C(=O)OC(C)(C)C)C1 1782647147 MOMNOPFLLODLNH-SBUREZEXSA-N 495.646 0.866 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@H](C(=O)N1CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C1)C2 1783566139 ZEJCFNXUOHLOOH-SVHPSLOZSA-N 475.542 0.940 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1784785652 DBSNLGWHHAYBHX-NXOAAHMSSA-N 462.551 0.878 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CC(=O)NC4=O)[C@H]3C2)c(Cl)c1 1785031482 JTHKVJHLOWMYLC-QRTARXTBSA-N 459.890 0.357 30 20 JCED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c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c3cncc(S(C)(=O)=O)c3)C[C@@H]21 1789890152 HTCCHEIFZHVKRK-SNRMKQJTSA-N 479.555 0.588 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789927864 DMGGJDCEOOBTIE-BCYZHJNNSA-N 467.563 0.280 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H]5CCC(=O)NC5)C[C@@H]43)c2c1 1790327881 DRGVYXYULBLWGI-MRHSLFKSSA-N 450.499 0.554 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(C)=O)[C@H]2C1 1790863227 PAPVNRARBJYUNI-GBBGEASQSA-N 466.579 0.960 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791343220 STEMUXFLEXZKAJ-FKSLSLAPSA-N 478.590 0.962 30 20 JCED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1791439867 ASCOUTAHZSKBTM-UFYCRDLUSA-N 453.605 0.831 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C[C@@H]21 1792262014 VTKJRZUSGAXYQN-HAGHYFMRSA-N 472.542 0.830 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC)c1ccc(O)cc1 1793318334 OSEIMOHAFCKUFX-HQBFLTFPSA-N 491.610 0.807 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1793360711 YRVHPTPTJIOSDV-NRUGXNMXSA-N 483.562 0.624 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1794389660 STBSLELQDKXGNG-KYHPRHEASA-N 471.514 0.901 30 20 JCED COCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994885 JMQLKJOQLKRLFK-FVCICTRLSA-N 456.421 0.838 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnn2c1CN(C(=O)OC(C)(C)C)CC2 1797315648 NVSWSJXHDKGDGU-JLVBRIDZSA-N 460.535 0.808 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1797587879 QZNRSAFEWOANKN-ZDFLXESQSA-N 450.879 0.479 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2 1797742274 OQYSHQDKMZEKRJ-MRVGDRFYSA-N 483.613 0.949 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1799321519 DBPAZELFRDRJMM-OREBXVKISA-N 481.594 0.028 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F)[C@@H]1SC(=N)NC1=O 1799745564 UIRMZKWCILLLCB-JRRBAZMTSA-N 459.503 0.703 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800736625 ZVEVYGLRXNUCFA-JQMQOJCPSA-N 465.554 0.958 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)CC1 1805406391 ZLZJZHJOGZNFGA-JTHGQSKGSA-N 478.590 0.962 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)CC1 1808164331 CUAHPVANVQUVNR-HSALFYBXSA-N 499.616 0.914 30 20 JCED CN1CCN(CC(=O)N2CC[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)CC1 1810286516 MAZKUKQCKUXIBK-NABFQKGHSA-N 455.607 0.807 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)c1 1811794748 BVGJFCFGBNSMBM-FXAWDEMLSA-N 469.465 0.713 30 20 JCED CN(CC(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)ccc2F)[C@H]1c1cccnc1)C(=O)C(=O)O 1812391926 IMADZINKYVYPAA-UZLBHIALSA-N 467.457 0.955 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1819905021 PCGMRRUJCJOBRF-OPKGSTJMSA-N 467.548 0.235 30 20 JCED NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1821036802 NKHZXINNGWBEER-FYNOTNEYSA-N 473.515 0.787 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)C1 1822203741 MSXHUZKWIZMNIF-OYHNWAKOSA-N 475.502 0.862 30 20 JCED Cn1ncc(Br)c1C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825666573 AUXFXKZWFYNBRW-QMMMGPOBSA-N 452.290 0.953 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1829357910 FQCSUWAVJNTSKE-RUZDIDTESA-N 488.585 0.301 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)C1(O)CCC1)CCO2 1829748542 ZLBSLCDSRJALTM-JXQFQVJHSA-N 493.601 0.911 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3C)C2)C1 1829773759 ULDKYNDBYWPCNN-CNXHMKESSA-N 485.537 0.710 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)C1 1830055979 JIIRJMMJQOJNPB-XMMPIXPASA-N 497.556 0.186 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460160 BHLKSAMMEGHKKN-NFBKMPQASA-N 474.514 0.012 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830592595 UCYJWGNDQLUKGS-GAJHUEQPSA-N 465.547 0.891 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1831396193 ATMHVIVKZUCVJA-UZUQRXQVSA-N 475.498 0.641 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1831435323 PLCXSPNMZMQIKA-OPAMFIHVSA-N 484.546 0.890 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1831485051 MNKGWURRRKMRHV-AOSWFRPUSA-N 480.587 0.404 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)[C@@H](C)CC)CCO2 1831522490 BSAZKCFGSOMAQM-RGKFVRLKSA-N 481.590 0.766 30 20 JCED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)c1=O 1831881351 MJPOZZLLTKVKBH-RUZDIDTESA-N 464.522 0.960 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1832000369 MZHAJBDAWHYXSB-QQMNAOGKSA-N 497.593 0.359 30 20 JCED Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1833043640 WRPBVGJEUNHQER-XMMPIXPASA-N 467.526 0.907 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccccn1)CCO2 1833187260 IPMOFCJOEZYZPN-RVZOMNRZSA-N 460.531 1.000 30 20 JCED N=C1NCCN1CC(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834705232 PFNWEQMWAYRHME-UHFFFAOYSA-N 458.607 0.097 30 20 JCED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)C(=O)O 1834740616 ZZASPDNGBYEFQU-FQEVSTJZSA-N 462.591 0.319 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)NCc1ccco1 1835100370 PSXHRQKRYBLOCM-WOKXFPNESA-N 477.517 0.960 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)(C1)C2 1835102144 HTQBZZKKNSYYLU-DDJHWDJXSA-N 452.507 0.838 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835345797 CGBXKWQRPUXSBF-JOCHJYFZSA-N 466.535 0.288 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CNc4ccccc43)CCO2)C1 1835716568 YCOZURXOAWEOGQ-YADARESESA-N 455.559 0.934 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836112746 NTYWLNDVUNZOBR-NRFANRHFSA-N 462.576 0.307 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)c(O)n1 1836125535 YAHOMNVWNQFVRX-VWLOTQADSA-N 498.536 0.999 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CCO3)o1 1836321760 HHKCYFAYJITSDT-FQEVSTJZSA-N 494.430 0.976 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836350702 NGEOMOTWBMBZHE-DVECYGJZSA-N 498.540 0.746 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO3)c(O)n1 1837204493 XSTHDPSBCURDJG-AUSIDOKSSA-N 492.529 0.040 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1837398619 GJXRDNBBXMTWAH-HOYKHHGWSA-N 472.542 0.922 30 20 JCED CC(C)n1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837528388 IPAPWSVGPAONPG-KJTYKZCZSA-N 464.523 0.458 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837674334 FIDPYCBWKNIBEY-CBGJYWBJSA-N 468.551 0.277 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncn(-c5ccccc5)n4)C3)C2)c1 1838736138 MHEPJYYNQSQOQL-HSZRJFAPSA-N 461.482 0.851 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nn[nH]c4C(F)(F)F)C3)C2)c1 1838738058 OLZJQCAEJAGMFB-KRWDZBQOSA-N 453.381 0.407 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1839185523 FFGNEKVEYZRURJ-CYFREDJKSA-N 496.605 0.829 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187999 GEVOMTBLPZJHFX-DHIUTWEWSA-N 477.489 0.312 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)cc1 1839363794 UVXRZCQWQHOWDK-DEOSSOPVSA-N 495.492 0.593 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCc5cncnc5)C4)C3)c2c1 1839488111 YDPHJYSYPFZJJI-XMMPIXPASA-N 475.509 0.927 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1839880109 GOEGHIPZZZNHOH-KDLAUNOPSA-N 496.605 0.827 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ccccc1[N+](=O)[O-])CCO2 1840111879 OJTHMGHYHPQLCZ-HXUWFJFHSA-N 463.468 0.231 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC[C@H](C(=O)OC)C3)CCO2)C1 1840144756 KQNNLMQYRNFIAD-GKAYAJSDSA-N 450.532 0.461 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C2)C1 1840156935 YLPCFWHJCLNMCX-JPYJTQIMSA-N 462.616 0.827 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1840159999 UHXQAQRJNHMGBX-MGPUTAFESA-N 456.586 0.407 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCSC)CCO3)c(C#N)c1 1840199605 GAZBZJFRPVSSCN-OFNKIYASSA-N 477.583 0.680 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840327238 YXLQUPPMJVQCCE-KOSHJBKYSA-N 489.573 0.715 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2cnnn2)CCO3)c(O)n1 1840475076 MQGPFKFCAJBNGX-ZHRRBRCNSA-N 471.518 0.224 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1840819553 RIBOIBOQQNOLEH-DEOSSOPVSA-N 476.493 0.750 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1840912147 ASIFWVJMQMVOCR-ROEJJBDBSA-N 467.563 0.683 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1 1842779752 SMKMVLNBYOGDDK-INIZCTEOSA-N 455.577 0.931 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1844215529 QHNSVWMSPYPPEV-XDNAFOTISA-N 492.573 0.888 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)C1 1846965383 YYRAAMFJFKOSDP-FPLPWBNLSA-N 475.590 0.601 30 20 JCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)c2)CC1 501876754 WDUBIPJDDCCIGY-UHFFFAOYSA-N 491.595 0.754 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 514333896 FZIAUKODNPESKD-UHFFFAOYSA-N 474.558 0.419 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(F)c1 523299469 QDSSWBGXQJLSTJ-UHFFFAOYSA-N 485.541 0.826 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c(=O)n1C1CC1 591000099 JHDCIRPUSNZLGA-CYBMUJFWSA-N 455.536 0.842 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(Cl)c1 603788094 GUPWFQRXTVMFJO-UHFFFAOYSA-N 495.992 0.899 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434355 CTUCJYAVIDEPJH-UHFFFAOYSA-N 484.490 0.137 30 20 JCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 615218584 UZKBNXKDDUTQGQ-UHFFFAOYSA-N 493.611 0.428 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCS(C)(=O)=O 729671482 OZJLCFJIBBUEFK-UHFFFAOYSA-N 465.572 0.821 30 20 JCED CCCCN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 769215935 NSGWSVNHQYRUQW-MRXNPFEDSA-N 471.557 0.196 30 20 JCED CCCN(C(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 919315073 AJGOZTQBZSZTOQ-QAPCUYQASA-N 470.569 0.830 30 20 JCED COc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1C#N 1254695041 PMQXCHSCYIKCCF-HOTGVXAUSA-N 451.549 0.748 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1cc(Br)cn1 1303866968 MHRXNXMMOHXAAB-JSGCOSHPSA-N 487.384 0.666 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCOCC2)nc1 1510192327 QBAUGFGSNMXNKM-YWZLYKJASA-N 478.554 0.610 30 20 JCED CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1516855153 XEJMQFFLTLLPFK-KRWDZBQOSA-N 460.564 0.315 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 1654473582 IROKVBLNNFUAAS-FQEVSTJZSA-N 456.524 0.423 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1696593314 VMAXGFVAGMKBOA-FQEVSTJZSA-N 485.614 0.994 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1748209909 TVTVVIRERNMPEN-FUHWJXTLSA-N 458.544 0.593 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCOCC2)CC1 1761363078 KLPOPIAVCABMOK-IAGOWNOFSA-N 467.596 0.214 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1761481124 MCDCHKAFDYMLEZ-GDBMZVCRSA-N 458.610 0.843 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779103178 NYZSTJORELLZSR-HNQIHDJFSA-N 475.546 0.646 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781172858 GUJLKNHVNHTXBT-KNQAVFIVSA-N 460.487 0.004 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1783601675 BIDAILWVDLWPPE-BTYIYWSLSA-N 452.508 0.576 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1783601678 BIDAILWVDLWPPE-YCRPNKLZSA-N 452.508 0.576 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccc4n(C)c3=O)C[C@@H]21 1784484551 XAJWNBCHADXIEB-BOSXTWCSSA-N 452.511 0.565 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1784785421 GGOMBRLDIVXQNA-LLLHUVSDSA-N 491.545 0.951 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785306873 VGNVTTSLTNQUTN-SAHWJRBASA-N 481.594 0.269 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](CC)NC(C)=O)CCO2)C1 1785572109 JJZSWTWYUDSSEQ-PNCHPQGNSA-N 464.563 0.648 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786701744 PKPUYXCBUMNYSQ-KFCHUGGXSA-N 484.619 0.932 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1789904501 UAVLKZFGOQIVIY-CUSZFKRNSA-N 477.562 0.702 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1789935644 NZAULMROUDDLEK-QAETUUGQSA-N 452.552 0.792 30 20 JCED Cn1ccc(N(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)Cc2ccccc2)n1 1790662392 CTZIGOHGEMXFNB-FKBYEOEOSA-N 493.564 0.885 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(C)=O)[C@H]2C1 1790871384 XVLLCMCHPFKDNN-VJANTYMQSA-N 466.579 0.962 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)O)C[C@@H]21 1791258173 BLPSLMGMPVGWSE-FPSMNIFISA-N 498.577 0.152 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C[C@@H]21 1791260575 NLJLYRZPAMNHNG-WOYTXXSLSA-N 457.593 0.920 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)OC 1793367031 CYBZYWXJYROPDL-RCJHGTSTSA-N 483.587 0.399 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCN1C(=O)c2ccccc2C1=O 1793866499 MHWURHBUDCXLOX-QSNWEANLSA-N 467.522 0.691 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2)C3)n(C)c1=O 1794252915 SHWVOMPDZGVWKD-BCDXTJNWSA-N 475.509 0.257 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1CS(C)(=O)=O 1794721278 JWWLXDPGXPTJJA-KHVGYNOKSA-N 460.556 0.736 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O)c1ccc(O)cc1 1796347157 APUZQODNLYEXOP-OPOADAIRSA-N 466.494 0.994 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H]1Cc2ccccc2CN1 1796372005 TVYARDGHMUVUHT-AUJXXCQVSA-N 456.543 0.820 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCC2 1797515275 DBHYEAFZBOLFMW-WQDJSCAQSA-N 471.558 0.949 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1797704956 WVJPZDGZEZUQIV-QEOTZNIISA-N 455.552 0.035 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797811594 PSCNFBHBIRFUOA-YYQAZUDOSA-N 497.593 0.347 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798493713 HNYLEATYTPCRAR-BHNDSDRQSA-N 453.492 0.648 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799708558 XHWLUNDGHRSMFG-YALNPMBYSA-N 478.347 0.971 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)n2ccnn2)N(C(=O)OC(C)(C)C)C1 1800270876 APLSTFWGDIQWSD-ZSXDVEMLSA-N 474.562 0.994 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800296612 BHMOVAYJSQDBCU-IHDPIKAKSA-N 482.581 0.070 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)C2 1800990106 ZABZCYVYWWFKDV-PYWNROJRSA-N 457.593 0.655 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)C1 1801052389 UKKOSALBXAWMPV-JCISHKRCSA-N 483.565 1.000 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 1802026577 YCLMSYRAABJMNK-SZGLYPCISA-N 477.583 0.666 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CCC)C2 1802125623 KRQPJKADDMEMDI-BFMVXSJESA-N 478.590 0.797 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1806373906 XWOGRMVUXDCFMB-QGZVFWFLSA-N 463.531 0.942 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](N)Cc2cscn2)[C@@H]1c1cccnc1 1808197881 CIRDHPYAYRSQNT-DWDUJTFXSA-N 468.583 0.972 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1814693556 UEBIBNJVDOELLP-FNXXIHLHSA-N 467.482 0.669 30 20 JCED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=N/O[C@H]2CCCCO2)CC3)CC1 1818894947 BVJMMIQCEAVTIH-XQWFKHRNSA-N 492.602 0.748 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)CS(=O)(=O)N1CCCC1)CC2 1819774710 MMIOPEVBYGHCLX-PCXKXAPESA-N 482.632 0.952 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826322684 JYHPNCFMHNFDCL-CQSZACIVSA-N 465.491 0.931 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)sc2C1 1826643893 NEJBWZIKTAEHCU-HACGYAERSA-N 458.544 0.564 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1829848270 DPVABEXQBHCGRC-YDIMBITNSA-N 496.605 0.827 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)(C)C 1831090064 XHWHNJGOCFZCIS-YRWBNLPSSA-N 465.595 0.465 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1831393737 OOINBSACYHZQQS-STSQHVNTSA-N 467.563 0.784 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(c4ccccn4)CC3)C2)C1 1831397314 QQPRCYMTPPEAFG-NBGIEHNGSA-N 470.570 0.793 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1831402383 XMJXBNHESCJPPN-FUQIYGJBSA-N 491.585 0.594 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1831421643 NMALSQOSFNGMHO-JTSKRJEESA-N 455.552 0.901 30 20 JCED C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(F)(F)F 1832161020 SZVJZQFGSBQHIW-UYAOXDASSA-N 462.465 0.455 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)N4CCOCC4)CC3)CC2)cc1 1833107121 BYNGLKUVWOMILL-RUZDIDTESA-N 469.586 0.323 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4C)C3)C2)c(O)n1 1833696446 HUCGKYOGHMSHGN-VWLOTQADSA-N 482.537 0.988 30 20 JCED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)ccc1F 1833766577 QPIYJOQZJHDZGG-HXUWFJFHSA-N 484.532 0.410 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)CC2)CC1 1833776135 MAQBBCSGUOYCKK-KRWDZBQOSA-N 486.594 0.756 30 20 JCED O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833786093 GOCGRRCWWKMQRV-YQNSVDCASA-N 491.549 0.892 30 20 JCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1834518074 FUJWSQIDRWWTCX-HXUWFJFHSA-N 451.527 0.208 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834760798 KUBMPDRRIXJTDF-NHCUHLMSSA-N 454.499 0.706 30 20 JCED N=C1NCCN1CC(=O)N1CCC(N2CCC(NC(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1835118863 RMLLEYOJCLSQPZ-ONEGZZNKSA-N 472.615 0.899 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@H](N)C(N)=O)CCO2 1835742573 AGSGTOGZBCVKFB-AVRDEDQJSA-N 466.655 0.087 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)CCO2)C1 1836552462 IYUCXISYCQRMLD-AVRDEDQJSA-N 462.503 0.941 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1837396448 HGTNYRAWYUAURE-AOMKIAJQSA-N 464.519 0.341 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837446321 HIFXHIQUNYFVTC-YVABFXQFSA-N 462.503 0.345 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837466666 JOVKYTGJLVMXCU-JOCHJYFZSA-N 475.571 0.121 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837490464 FZEHXRIWXOEGOS-JOCHJYFZSA-N 462.934 0.899 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837490880 DJBDNZCVVKVKRC-XMMPIXPASA-N 467.526 0.498 30 20 JCED COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524738 LKJODCVXOBBGQV-FFAXYAMNSA-N 463.491 0.084 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525636 OCIWAYRTPBTCFH-KTYCBKDJSA-N 468.551 0.134 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1837526762 VNZSSXKRZDCDEK-WIPYJQQXSA-N 468.457 0.959 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1837676467 LCFHKQJQRPKWOE-MZNJEOGPSA-N 472.542 0.942 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838426839 GGPHWKGOLSIAFK-JOCHJYFZSA-N 457.487 0.309 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)cn2[nH]cnc(=O)c12 1838470972 CIKSJHPHBMZVIT-XMMPIXPASA-N 476.493 0.587 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1838567571 DZRZIGOPSNMZGT-QHCPKHFHSA-N 459.499 0.455 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)nn1C 1838831830 IBBAHRKDHWTNMR-HSZRJFAPSA-N 453.499 0.613 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1C 1838833957 AODMNPPOVRLESE-RRPYSREYSA-N 465.507 0.028 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)cn2[nH]cnc(=O)c12 1838907188 DOFXMFFBOHIIPK-XMMPIXPASA-N 476.493 0.587 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1839109473 HODADUJRYWYNJC-LYXWCMDISA-N 481.590 0.883 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131166 PUNXYWWGHYNEMS-KBDOHKNDSA-N 482.537 0.424 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1839175167 SLAIFJWHGQDDJQ-XMMPIXPASA-N 485.493 0.401 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1839175442 JTVOVNKIXQIITF-HSZRJFAPSA-N 462.499 0.980 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1839571915 SMBWDISMDNPRPP-POUSAUBHSA-N 468.510 0.110 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)CCO2)C1 1839801162 XVVFQGYJRBYUFD-NTKDMRAZSA-N 492.594 0.517 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1)C(F)(F)F 1839893854 TWPMLCUOLZYTJC-IBGZPJMESA-N 467.404 0.278 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)CCO2 1840038180 MIRBJIAMIPROSX-OWHDLTKUSA-N 499.630 0.786 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)CN4)C2)C1 1840041646 ZKEXSKYLQJTYPX-RLWLMLJZSA-N 497.548 0.780 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840157020 BVUCYAREQVZKFO-VWKPWSFCSA-N 473.592 0.397 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1840162889 KJUAZMUCSMQFNT-VFCRVFHLSA-N 453.536 0.719 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1840162890 KJUAZMUCSMQFNT-WIEQDCTASA-N 453.536 0.719 30 20 JCED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840199534 CVLAYDDZHQQHHQ-WIYYLYMNSA-N 451.520 0.881 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)OC)CCO3)C2)c(O)n1 1840319578 SXPQKYKEKTWUGH-JOCHJYFZSA-N 462.503 0.332 30 20 JCED CCOC(=O)N(CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)Cc1ccco1 1840340342 DUJJHJUPJIQPIA-QFIPXVFZSA-N 462.503 0.998 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1841053178 XKKFYJGVDFHBQX-QEXQGXNMSA-N 496.630 0.710 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842946665 WVVZVNHMVUIOKP-SJORKVTESA-N 463.579 0.479 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2)C(C)(C)S 1846301566 XTHQUCNNJPURBV-OAHLLOKOSA-N 468.624 0.631 30 20 JCED COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 30568073 VRKMMHYMBLYITH-UHFFFAOYSA-N 492.579 0.630 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 501761383 FQTMJAJGMDKKSA-UHFFFAOYSA-N 486.506 0.133 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cscn3)c2=O)c(C)c1 511671796 BGVKJKMDMVDRAV-UHFFFAOYSA-N 495.630 0.924 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C1CCN(C)CC1 516376095 ANYWHRLRUUJERX-HNNXBMFYSA-N 458.559 0.970 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C1CCN(C)CC1 552829779 QLZNUHIYQNFIHZ-OAHLLOKOSA-N 485.566 0.739 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Br)c(O)c(OC)c2)c1=O 603792951 PTLFRBKIOKDTEI-UHFFFAOYSA-N 494.367 0.838 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)c1 603796689 XXIXRQRJUXITBQ-UHFFFAOYSA-N 470.595 0.526 30 20 JCED C[C@@H](c1ccccc1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccncc2)c1=O 604005523 XZCTYYMRHKJDDV-IBGZPJMESA-N 489.601 0.866 30 20 JCED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434382 NTSZSFAOSYNNMJ-CYBMUJFWSA-N 486.506 0.429 30 20 JCED CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609159584 SHYLXIYEQNQFFK-HXUWFJFHSA-N 480.554 0.679 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1=O 726042432 IVHMFXCFOPLQEC-OAHLLOKOSA-N 497.508 0.876 30 20 JCED O=C(COC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)NC(=O)N[C@@H]1CCS(=O)(=O)C1 809684390 AKWARSAFTAFDLG-OKPNEXGHSA-N 477.417 0.913 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 918285614 PZIGHEFRLUJIQL-ZDHNHOGNSA-N 456.546 0.083 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 920399122 NCXLURKROJMHIU-UHFFFAOYSA-N 471.445 0.759 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@H](O)CN1CCOCC1 1149203417 PFSPBRLTRLCVGP-WMZOPIPTSA-N 452.577 0.435 30 20 JCED COCCN(CCC#N)S(=O)(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1192190257 QWHFZIYBMXXNCX-INIZCTEOSA-N 458.581 0.748 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1297739477 YAYXFGAHEHXIPD-QGZVFWFLSA-N 450.569 0.540 30 20 JCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)[C@@H](C)C1 1359386791 NURCXXWKVHMPSH-INIZCTEOSA-N 472.571 0.813 30 20 JCED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507775613 RJRIWFCRISTWFX-UHFFFAOYSA-N 451.329 0.912 30 20 JCED CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cn1 1508280921 OWUZPSVZUXKCIB-GOSISDBHSA-N 451.535 0.995 30 20 JCED CCN1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1515836774 JAIZOPASYMQNNL-MJGOQNOKSA-N 487.634 0.823 30 20 JCED CCN1CCN([C@@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)CC1 1695896372 SGVRGORAICOHJS-HXUWFJFHSA-N 487.630 0.990 30 20 JCED CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1747542638 QQIJDUNZNNZYLM-QGZVFWFLSA-N 457.560 0.467 30 20 JCED C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760370959 KJDVJORULUUBBT-UHFFFAOYSA-N 456.942 0.884 30 20 JCED CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cnc21 1777928588 OKLAOKONHLYOIG-DEOSSOPVSA-N 484.509 0.911 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778088781 WQLNJLVHQCUSSP-IMFGXOCKSA-N 461.650 0.880 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ncccn3n2)C1 1778584520 NCOWDKFSPYQDEI-ZJSDXAAXSA-N 453.503 0.110 30 20 JCED Cc1cc2nnc(C(=O)N3CCO[C@]4(CCN(C(=O)C/N=C/c5ccco5)C4)C3)c(C)n2n1 1779136406 QOZKNLAHPVKNCA-JBMWNJKUSA-N 451.487 0.897 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)C4(N5CCN(C)CC5)CC4)C3)C2)c(C#N)c1 1781108335 VMDCDXVEKCCGSY-RUZDIDTESA-N 481.597 0.719 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cn(C)nc2OC)CCO3)c(C#N)c1 1781174363 MUOHPGHCKSYCSG-HSZRJFAPSA-N 453.499 0.995 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)cc2NC1=O 1782013352 HCBBHEQOVLBSDI-FPULEUEGSA-N 455.467 0.622 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cnnn2)C3)N(C(=O)OC(C)(C)C)C1 1782301981 HODNHBQKMOUJCK-YZZKKUAISA-N 489.577 0.753 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1782848776 HYKKTLQNHNWRBR-GCJKJVERSA-N 458.519 0.988 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc([N+](=O)[O-])c1Br)CCO2 1783562864 JPTSJOULLHNASO-GOSISDBHSA-N 466.244 0.889 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCOCCOC)C[C@@H]21 1784505035 IUTRAYXFRZIZFD-TUFLPTIASA-N 472.579 0.253 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1784785135 WSXGSWQYIGKVGE-VGWMRTNUSA-N 453.540 0.104 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)CCO2 1785422675 JKPPSBZHFFXMSQ-HSZRJFAPSA-N 452.515 0.423 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1785578274 WRAVBIAPPGFDPY-JLHGSKIFSA-N 460.535 0.586 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4CCN(C)CC4)[C@H]3C2)c1 1786729180 WECWPCGFCAACMI-VJBMBRPKSA-N 469.586 0.798 30 20 JCED COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1787627824 IWONPTJHSYAGCK-ZJOUEHCJSA-N 458.559 0.821 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)[C@H]2C1 1788080080 CLERWAORGYTZNI-STEAMIEHSA-N 494.552 0.737 30 20 JCED CCCNC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788653111 UWKGAEOPESZIRW-ICAQXALRSA-N 452.552 0.802 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cc(=O)nc2cccnn12 1789199174 BKVGCJVJZPYZRF-BAVDVLQDSA-N 467.530 0.155 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21)N1CCN(C)CC1 1789798303 RAGRVIFVYXVJAU-FAHLNCGFSA-N 471.577 0.855 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1792259050 UZSIVMFIMJCMLI-QXCZDIPSSA-N 497.614 0.460 30 20 JCED Cn1ncc(Br)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1796751133 FOGYRWJTORQXCP-AGGWBTHJSA-N 467.368 0.668 30 20 JCED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H]1SC(=N)NC1=O 1796881332 TVSGPJNJSNBTJU-KCEBSUJSSA-N 451.549 0.956 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)COc3ccc(O)nn3)C4)c2c1 1799885397 HRJKHQPDRHDCEC-VTEUUUEMSA-N 463.454 0.212 30 20 JCED C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800907896 MOLNDSVJZRBWDO-ARKGTOAJSA-N 472.608 0.312 30 20 JCED CN1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C3)C1 1801558895 IENSVFCUXXDURX-YYIAUSFCSA-N 470.636 0.739 30 20 JCED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)cc1 1802103683 FCAPIQZKRMLVKC-CWPLJXCYSA-N 458.565 0.551 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807355928 ZURIIPUGQCHQDL-AYBZRNKSSA-N 465.514 0.705 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1808406899 HTIWSDVCKKKABT-LMNJBCLMSA-N 462.572 0.551 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)ccc21 1809268888 UTSWLQQHMNYDIF-HTAPYJJXSA-N 461.478 0.680 30 20 JCED Cn1c(=O)c(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)nc2ccccc21 1809292302 WLOJAGVZQVQXII-ZHRRBRCNSA-N 459.462 0.736 30 20 JCED N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810357418 PVZQELOBMXWDSA-MGTATESMSA-N 457.535 0.456 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3n(n2)CCNC3=O)CC1 1823742706 DIEAEBDLQXNZQY-LIXSYLKWSA-N 468.558 0.718 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(CC#N)cc1)CC2)C(=O)C(=O)O 1824673196 BXIVNNZSNRWFSL-AWEZNQCLSA-N 455.496 0.978 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828525297 OEGLIXZYCOYADE-SBUREZEXSA-N 476.530 0.550 30 20 JCED CNC(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3(C#N)CC3)C2)C1 1828576949 WJYOSIGWOMARON-XMMPIXPASA-N 467.526 0.878 30 20 JCED C[C@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1 1828924869 HMDABZNQQVGGLA-MBSDFSHPSA-N 455.515 0.877 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)NCC(C)C)CCN2C(=O)OCc1ccccc1 1829058789 OTZBRWAULKGTGU-XMMPIXPASA-N 454.527 0.844 30 20 JCED C[C@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1829221633 SIVDNFLIBFYEFE-UQBPGWFLSA-N 466.538 0.986 30 20 JCED CN1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1829417567 XHDZCNPCCFECIH-XMMPIXPASA-N 468.510 0.088 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)c4ncccc34)C2)C1 1829770551 XWUGHMSUAXUXED-WNWNSBFKSA-N 467.526 0.502 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3Cc4ccccc4C3)C2)C1 1829777349 WWPJJVFFMKGQPT-CNXHMKESSA-N 453.539 0.716 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830041137 BQSQBBVVYBHUDF-HXOBKFHXSA-N 497.593 0.183 30 20 JCED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1830740301 ZGPLEYHKRUKUFX-KSFYIVLOSA-N 450.536 0.907 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1830884380 UYWLGOYVTLNROK-XFAGBWLFSA-N 499.605 0.292 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831485332 BIDYAUODWNDBJR-NZQKXSOJSA-N 478.615 0.943 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1831758734 OAPMGNDJSLQAAQ-AOMKIAJQSA-N 463.535 0.949 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832788678 CBPWFFHYGBOLHP-OPAMFIHVSA-N 450.536 0.765 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833270901 SAXUCHOJSFKMBF-CYFREDJKSA-N 490.557 0.859 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1833334180 CYSHOMWWUAPEDT-RZZUAFPKSA-N 472.546 0.582 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833450103 JHUNWWXJZJZNIU-QGZVFWFLSA-N 484.667 0.168 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1833469680 VLJNJLOGXRXNLL-UHFFFAOYSA-N 460.512 0.266 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c(O)n1 1833700499 ZJVYFOAGGYTAJI-XDHUDOTRSA-N 472.542 0.502 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccnc3CS(C)(=O)=O)CC2)CC1 1833991738 PWYKNFLWFPFYFP-SFHVURJKSA-N 490.626 0.850 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CC(F)(F)C(=O)O)CC2)CC1 1835072307 BKHCHORRFPGXDD-UHFFFAOYSA-N 457.522 0.950 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835211633 PJRWFTOYUFOFNS-UZUQRXQVSA-N 469.579 0.883 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349328 CUOOTMLQIUZVRQ-QMHKHESXSA-N 494.545 0.203 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1 1835645259 ATMQIJJVHKAODA-NRFANRHFSA-N 475.521 0.947 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(C)(C)C)n3)C2)C1 1835673054 SZODDWOMLPJGNQ-QHCPKHFHSA-N 460.579 0.990 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836210371 FRYVSSITYVIONX-MBSDFSHPSA-N 492.577 0.594 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1836620920 FBRDSAGEBKZMBM-DRSNIGMVSA-N 468.526 0.952 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837019532 XNWZHMVGGCRLFD-QFIPXVFZSA-N 457.487 0.309 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837438931 AZQNFFIVWIRWMB-GAJHUEQPSA-N 479.530 0.320 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837443407 JKLVALRKQZFYMX-IGPUNGKJSA-N 490.517 0.540 30 20 JCED C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447393 MPMDEUVHYBWQIK-KQLUBGJGSA-N 459.547 0.777 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490758 NZVVGWPDALAFPL-YADARESESA-N 463.575 0.446 30 20 JCED CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1837771119 FFQKSSUXGVQEOI-UHFFFAOYSA-N 463.556 0.980 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(OC4CCOCC4)n3)CCO2)C1 1838353147 DSBGFRXGQBDCKO-UQBPGWFLSA-N 487.553 0.748 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)nc4sccn34)CC2)CC1 1838520130 PXZDZIQPKLLTAA-UHFFFAOYSA-N 458.496 0.456 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838952856 KOVVPFPGZBNNKP-WZONZLPQSA-N 474.514 0.471 30 20 JCED CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)C1 1839067564 PJHKFYXYUQVGJH-UUOWRZLLSA-N 466.542 0.846 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839209637 ZQPZYGADVBBWSO-AOMKIAJQSA-N 466.535 0.022 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)ccc1Br 1839400838 CCQMMBCLPATZBQ-HXUWFJFHSA-N 489.330 0.682 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424271 XLPHUCZCXJSDPG-UGKGYDQZSA-N 478.933 0.433 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432733 YPLPCEGMBTVAQZ-LJBSOROUSA-N 479.917 0.680 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839631471 IDIMPGWPVLMQPR-DEOSSOPVSA-N 476.493 0.979 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839773868 QXZUQOSGBNGIGL-AJPHYDNBSA-N 478.590 0.848 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839860423 VCWZVHRIZFIWTQ-JPYJTQIMSA-N 482.578 0.438 30 20 JCED O=C(CNC(=O)C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1840201656 CAUBRLXWWZSFPH-CYBMUJFWSA-N 453.311 0.022 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840290823 JOWGMWDXMJOENO-VFCRVFHLSA-N 471.576 0.687 30 20 JCED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1840466916 CWYWSBNVBLMMPD-HSZRJFAPSA-N 453.499 0.370 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1840909503 UKPHFLIQARXFGP-HOYKHHGWSA-N 494.589 0.132 30 20 JCED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1)NC(=O)OC(C)(C)C 1842875540 UCLBZKLDMFWXII-HNNXBMFYSA-N 474.495 0.774 30 20 JCED CN(CC(=O)N1CC2(CCCN2C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)C(=O)O 1845137549 IJBIRDQJOSMVPN-UHFFFAOYSA-N 491.545 0.274 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 16558363 RTVGRFJFKHPGIQ-CYBMUJFWSA-N 465.509 0.430 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 516012879 ZFXYRRCKYMAMGD-UHFFFAOYSA-N 456.480 0.801 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1C 520465562 ABJCYFBCLVQHCH-UHFFFAOYSA-N 468.438 0.612 30 20 JCED CS(=O)(=O)N1CCN(CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 604537020 GICUXWPLJJSRGB-UHFFFAOYSA-N 492.581 0.274 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3C)c(=O)n2CC(=O)N(C)C)CC1 608778789 WOXUPMYJNOWKQX-UHFFFAOYSA-N 485.585 0.113 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)c(C)c3)c(=O)n2CC(=O)N(C)C)CC1 609220159 JMMGUFOHVRVUQW-UHFFFAOYSA-N 485.585 0.113 30 20 JCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 728572340 APZVKWYYMQTAFP-OAHLLOKOSA-N 469.995 0.284 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCS(C)(=O)=O 729671631 RJHGLRIAFXOKIR-UHFFFAOYSA-N 473.498 0.399 30 20 JCED CN(C)S(=O)(=O)c1ccc(OCCOC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 761129777 KYVHAPHWUWKYSE-UHFFFAOYSA-N 467.525 0.709 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 837286130 SFIBHLQKLWRRFJ-UHFFFAOYSA-N 474.590 0.949 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(C3CC3)c2C)c(=O)n1CCOC 838210173 FRULCZLGNNEYQF-UHFFFAOYSA-N 458.584 0.965 30 20 JCED C=CCn1c(S)nc2cc(C(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)ccc2c1=O 916732887 GVEREOOVLVIINO-UHFFFAOYSA-N 469.523 0.305 30 20 JCED N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1505325255 QSJYBFGRRYEHRO-OAHLLOKOSA-N 465.507 0.665 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1519607526 WHXKCVROHBAKPH-IBGZPJMESA-N 459.576 0.667 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)n1 1543064394 AJMWQSIPQQYYCH-LJQANCHMSA-N 475.623 0.644 30 20 JCED CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1)S(C)(=O)=O 1617789350 VKSHEUXJIKMVAX-UHFFFAOYSA-N 455.548 0.854 30 20 JCED CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1652872658 JPUXLKWSDHTGAU-HUUCEWRRSA-N 452.533 0.866 30 20 JCED COCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1697729818 ZOKTZUCCNBCTLY-ROUUACIJSA-N 481.623 0.460 30 20 JCED CS(=O)(=O)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1698302504 LRIVMBOEMYOSCU-SFHVURJKSA-N 458.544 0.836 30 20 JCED CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1743909076 RHULMVHXJCHGPV-QGZVFWFLSA-N 473.603 0.898 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1766723142 NIBLGSHGPIQROA-LJQANCHMSA-N 473.603 0.915 30 20 JCED COc1cccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1770303536 LVGZWCLZHCQOAT-AEFFLSMTSA-N 474.543 0.348 30 20 JCED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1771109622 YDIKPAAIOVYHOB-MRXNPFEDSA-N 453.569 0.305 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)C3)C2)c1 1778055360 OUZYRCMFWMPKIL-HSZRJFAPSA-N 472.465 0.528 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1778115157 DYGVWBUNDNBXTI-QHCPKHFHSA-N 459.568 0.540 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2c(=O)n(C)c3ccccc32)C1 1778783604 HMZQGFLDNHMGHU-HCOZDLEOSA-N 495.580 0.712 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](O)N3CCOCC3)C2)c(O)n1 1779414833 WENAROIAWNZKHE-NIJXNBFTSA-N 488.585 0.684 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779419854 JQFSLJBVRLZSQD-SBYNTIBKSA-N 473.592 0.710 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cnncc5C(=O)O)C4)C3)c2c1 1779529320 GNWMLSCROKCJBF-QFIPXVFZSA-N 461.438 0.680 30 20 JCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)N1CCN(C)CC1 1780639277 YXVLPPLTJNAXRY-YSYNBAMZSA-N 462.639 0.608 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)Cc1cccnc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c3cc(C#N)c[nH]3)CCO2)C1 1781341627 YLZNIWYKHLDLKW-HTAPYJJXSA-N 461.519 0.606 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2 1782010835 ZZOWEZSGVVTBRZ-BPYKYCOYSA-N 469.538 0.489 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)CCO2 1783046862 WSWPAKFSYIFPAY-DFBJGRDBSA-N 490.601 0.550 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783603279 OROJWASDSSAZOR-ZHRRBRCNSA-N 451.520 0.686 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1783686294 KXQKUPQEIARYFT-UGKGYDQZSA-N 473.567 0.313 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(OC)cc3)[C@H]2C1 1783776938 WQSOLPQYHYJORK-DBMCMQSHSA-N 457.527 0.912 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)CCO2 1783903751 DCXRVYMJQOJCIP-HOYKHHGWSA-N 492.621 0.776 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)C13CN(C(=O)OC(C)(C)C)C3)CCO2 1783920579 FZANNWSILMIVFX-JTSKRJEESA-N 497.614 0.817 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1)c1ccc(O)cc1 1784013538 FKNSDHCEFJQMTD-MFSJNOQSSA-N 456.543 0.312 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784606171 BTFUJSJPYRYUBV-LGFFLQIISA-N 475.550 0.533 30 20 JCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1785019436 YNBSMCLVDPPLAK-ZOBUZTSGSA-N 450.517 0.655 30 20 JCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785518339 UHEBTFQMEQBNOL-VGOFRKELSA-N 451.520 0.686 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1785575528 CYKFULCDRVXJQK-ZHRRBRCNSA-N 481.619 0.217 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](CC)NC(N)=O)CCO2)C1 1785595968 GZHPOFUVRZFHOH-ZBWOKKAISA-N 479.578 0.733 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1)NC(=O)OC(C)(C)C 1786901425 XESGIRXYCXDHIX-PJVZLEMVSA-N 496.605 0.888 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1787509804 FLMRHODFOLTWMW-NKCWYTJXSA-N 460.512 0.019 30 20 JCED O=C(CN1CCCCC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791181483 ASTWZYVYTHYGLO-FGEIPSIWSA-N 450.536 0.508 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)C2 1793350095 ZQTGSAOGFBTALK-NXOAAHMSSA-N 453.511 0.573 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1 1795433560 UUSDEXUAQRHSRR-JTJHWIPRSA-N 462.591 0.979 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccc2c(n1)OCCO2 1796283119 LQHTUNPUEHPYEB-UPHUGPLXSA-N 455.511 0.755 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1796394464 NGNWAUCATGNQBT-BBORQIOMSA-N 498.577 0.645 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2)[C@@H]1SC(=N)NC1=O 1796426692 FHGOATANYKWWGF-DYOXLCOFSA-N 471.539 0.329 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CCN2CCCC2)nc1 1796502366 FVHFQGRIGJCJJD-DXKRWKNPSA-N 454.571 0.961 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796778915 UEVOSHIRLPUKTJ-SSTJLMRISA-N 484.601 0.918 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 1797246738 CMDDUEICXGUYNS-LFDQFFAPSA-N 455.555 0.515 30 20 JCED COCCOCCOCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798500005 JZMNLKBDQLAYCC-VHUYYZNQSA-N 485.578 0.850 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO)NC(=O)OC(C)(C)C 1799343742 VWOXFIGILJJVJK-CLWJZODNSA-N 455.552 0.444 30 20 JCED C[C@H](OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800781258 UJCKUYLSQWKCDF-GPEJODLCSA-N 495.573 0.761 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2)c1ccc(O)cc1 1801054725 XHYIQBIPSXVJCQ-OVCNXMPXSA-N 450.495 0.876 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1801533681 OWBCAKGJTKGZMR-CLWJZODNSA-N 487.619 0.870 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N)[C@@H]1SC(=N)NC1=O 1801992273 AIAHWFWMANDFRG-DYOXLCOFSA-N 471.539 0.329 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Nc1cnccn1)C2 1802125805 VCBAJDXZSLMAIP-JNIAIEOXSA-N 486.573 0.783 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1803546212 WCJBZFAYXJVQBP-SYNHAJSKSA-N 450.499 0.379 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CC2)C1 1804849318 VQNDAGNPOJLFDB-JTHGQSKGSA-N 478.590 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(C(=O)O)ncn2)[C@@H]1c1cccnc1 1804964986 SFALMHJNWWRAHS-ZEUIOTOJSA-N 464.482 0.748 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1815770009 XGKCKRGOZJMSBE-DJIGPATGSA-N 461.479 0.529 30 20 JCED Cc1cn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)NCCC#N)n[nH]2)c(=O)nc1O 1817319286 AEWXDXHIZRWKPL-MRXNPFEDSA-N 470.534 0.955 30 20 JCED CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccccc2C#N)[nH]n1)C(=O)C(=O)O 1821718148 SXOUNWBOHGEUGO-INIZCTEOSA-N 468.470 0.895 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3nc[nH]n3)C2)C1 1828579324 FIZHSGIISPMKFJ-MHECFPHRSA-N 480.525 0.909 30 20 JCED C=CCOCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829044638 OWLLGEXOONTQSW-SQJMNOBHSA-N 487.601 0.707 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829045200 WRRWPBQEVYCRKA-YDHSSHFGSA-N 477.631 0.679 30 20 JCED CC(C)CNC(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829058928 ULWHOQNIWMKEAQ-VWLOTQADSA-N 498.536 0.299 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccncn1)CCN2C(=O)OCc1ccccc1 1829060879 AFBOSIZLDLDIAV-DEOSSOPVSA-N 477.477 0.630 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCN2C(=O)OCc1ccccc1 1829244555 VZMGVXZLESWJEC-VWLOTQADSA-N 492.536 0.999 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330664 NRDSBHXWRQECOX-CPJSRVTESA-N 498.536 0.441 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(c4)n(C)c(=O)n5C)C3)C2)C1 1829667938 DMDKWZCWUUVMMR-DEOSSOPVSA-N 454.527 0.913 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1829856234 JJVUIEAPQGUQMU-LAUBAEHRSA-N 497.474 0.957 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)o1 1830458855 JUHPQRVXPJNFAT-HSZRJFAPSA-N 453.499 0.881 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460723 UAGSGDHJRYCFDC-AUSIDOKSSA-N 457.531 0.394 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1831418754 GMBWVVNCGIHSEF-VFOTVIGXSA-N 489.569 0.213 30 20 JCED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1833509486 MZZDJTBOVHFUFP-HSZRJFAPSA-N 477.481 0.617 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1834109717 QGXJBISNJZIEKD-ZGNKEGEESA-N 475.546 0.949 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349547 JMBJUQKVHPBWIB-RDPSFJRHSA-N 472.517 0.633 30 20 JCED Cc1nc(N)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835803179 BZPTZAOYWMIHNY-QFIPXVFZSA-N 462.572 0.802 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCO2)c1ccc(O)cc1 1836150323 MLSHFUGBYSYWFC-CVDCTZTESA-N 468.514 0.032 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320433 CGJLOCRMUAJOMJ-SZNDQCEHSA-N 497.474 0.957 30 20 JCED Cc1nnsc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528370 HZVFOUSAZQBTJK-YLGMEWQRSA-N 453.521 0.446 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531078 BTTNXVXVCRWESN-GIFRWZEPSA-N 475.502 0.006 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)cnc2s1 1838736852 AWBMAOCOSSDHTN-JOCHJYFZSA-N 482.522 0.648 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839351152 SLBCJEAVYMGVAG-SJAQWOJPSA-N 474.514 0.385 30 20 JCED Cc1nnsc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488318 LAGHUMMTBKLEMH-NRFANRHFSA-N 467.511 0.978 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839577023 HFTGVXFJUAUIHG-OAQYLSRUSA-N 459.528 0.746 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)C2)C1 1839809207 HZIBUBDLMXBKBF-LJQANCHMSA-N 455.920 0.415 30 20 JCED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839883728 ZQUPENROEJQONY-HXUWFJFHSA-N 483.447 0.568 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1839888647 ZAXFGWLWGNRNKP-LHSJRXKWSA-N 482.484 0.661 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840016766 WJWXOYLBGVYLJL-CQLNOVPUSA-N 452.511 0.903 30 20 JCED Cc1cc(Br)sc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042992 AUZIPEUNPGWXNV-SFHVURJKSA-N 471.329 0.977 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1840177294 WDDFPIZBPADOJS-ZEQRLZLVSA-N 473.526 0.563 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840180892 JGFSGPGUZNHJLP-DHIUTWEWSA-N 485.497 0.120 30 20 JCED CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1840928587 KBYQHGVJDNFSBB-VOJNIELOSA-N 466.579 0.704 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2nc3ncccn3n2)C1 1843720365 RWKGJJSSCREVLQ-OAHLLOKOSA-N 453.503 0.858 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1844215210 HNANAEONGOIFAJ-CABCVRRESA-N 495.533 0.104 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1847122997 MMFITTPNBZFYGI-QGZVFWFLSA-N 478.590 0.842 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC(=O)NC 1847766287 CRFNDCDZCYLDPJ-JYJNAYRXSA-N 481.550 0.130 30 20 JCED Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc4c(c3)OCCO4)c2=O)cs1 514491419 KXVQJHKGBDNRQZ-UHFFFAOYSA-N 496.570 0.797 30 20 JCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CC(N)=O)c1=O 524281492 ZYCCXPLWCJTOJK-UHFFFAOYSA-N 493.501 0.844 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O 555735396 JXUVXLSMKCOFSC-UHFFFAOYSA-N 482.484 0.756 30 20 JCED C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 596433637 WYNWTDSFGNKAKQ-UHFFFAOYSA-N 463.560 0.684 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(=O)N(C)C 604270113 GGZQXDKAUNJOSB-UHFFFAOYSA-N 499.412 0.088 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc2c(c1)OCCO2 608855207 AJIVTCVUPOKFEG-UHFFFAOYSA-N 479.562 0.686 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc2c(c1)OCCO2 619538688 SKMZOFSPDZXJQT-UHFFFAOYSA-N 464.459 0.827 30 20 JCED CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 727753322 FVIOUZXMKCEZBN-UHFFFAOYSA-N 457.578 0.141 30 20 JCED N#CCOc1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 727842445 WXOGUILVKQWYGG-UHFFFAOYSA-N 458.544 0.935 30 20 JCED C#CCNC(=O)C1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 747818498 TUIDVFXXCZSRDQ-AQTBWJFISA-N 455.540 0.696 30 20 JCED CS(=O)(=O)N1CCC(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 913086581 GUMCPNKORZQQIS-UHFFFAOYSA-N 456.590 0.826 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 917342982 MJWCBGGJQTVVKV-UHFFFAOYSA-N 454.508 0.100 30 20 JCED CC(=NNc1ccc(S(N)(=O)=O)cn1)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 917548771 XHYSPBYLDZKDEG-UHFFFAOYSA-N 454.578 0.795 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C(N)=O)cc2)cc1 918263558 FVWVYVSPCGPDQZ-BWAHOGKJSA-N 457.512 0.853 30 20 JCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 918887196 PYDXVQZEBHUYIM-INIZCTEOSA-N 464.544 0.704 30 20 JCED CCC(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 919453273 BQOMODIVOCNNOR-GOSISDBHSA-N 476.555 0.583 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(S(=O)(=O)c2ccccc2)CC1 919833727 XCAXQKLUJNZSEE-UHFFFAOYSA-N 462.553 0.648 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncnn1-c1ccccc1 1288826795 VKTGXJCYTSJHGN-LIRRHRJNSA-N 459.511 0.959 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)N1CCOCC1 1360238244 XJYYTRBYDVAXEU-UHFFFAOYSA-N 481.561 0.258 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1516827682 VPXXVERQVDFLJE-UHFFFAOYSA-N 489.602 0.783 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N(CCC#N)CCN1CCOCC1 1631463905 SWPACSBMLCUZEK-GOSISDBHSA-N 451.568 0.967 30 20 JCED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690327090 JLODDEMGMURGDA-OAHLLOKOSA-N 460.988 0.800 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccccc1 1706748090 SOUZJQOHMKWOSI-HOTGVXAUSA-N 466.589 0.897 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1729342884 SUSYUGFYBHVLJU-YWZLYKJASA-N 461.523 0.970 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1767010680 IGECIVXIWUUFMP-UHFFFAOYSA-N 461.548 0.003 30 20 JCED CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1770351391 SSZYMQXAVXSZDF-UHFFFAOYSA-N 467.502 0.716 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1771112602 TXCWIRWOQGEKIF-UYAOXDASSA-N 490.586 0.981 30 20 JCED N#Cc1ccnc(N2CCN(c3nnc(CN4CCCC4=O)n3CC(=O)NCC(F)(F)F)CC2)c1 1771534170 PNLNTYYXITUDEL-UHFFFAOYSA-N 491.478 0.672 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C1 1778077309 JEQPODSOLDIFTA-FPBPVBFYSA-N 450.561 0.341 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2 1779004990 HWWXGUHGEFAICH-JOCHJYFZSA-N 453.656 0.154 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107062 RONRFAFSNOCLJF-MHTGZXFVSA-N 454.524 0.870 30 20 JCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C3)c1Cl 1780098312 KYCNTLYVSOLLPN-DRSNIGMVSA-N 461.950 0.932 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780197038 BLLYTDIUJWPXSA-QRQCRPRQSA-N 457.487 0.713 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)CCO3)c1 1780600371 UXXPJQJNJOBVQU-OAQYLSRUSA-N 455.496 0.467 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CNC(=O)C2)C3)c(C#N)c1 1780688628 XSWKFLOOTDLZGR-MFSJNOQSSA-N 454.527 0.759 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781110994 HEGPUIBKLMNVJA-DRSNIGMVSA-N 469.604 0.963 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781295199 KJLXGTFCAYIOON-QVKFZJNVSA-N 451.520 0.750 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010313 MLYPVHHYPKUFPO-XCGNWRKASA-N 467.519 0.128 30 20 JCED CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#Cc4ccc(Cl)cc4)[C@H]3C2)CC1 1783919874 PFCDBZVMWGWHMM-BVSLBCMMSA-N 458.990 0.919 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783981873 DOVUUHFXQUGUJC-VPNDOYJZSA-N 450.414 0.024 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1785429333 CJDXKCCIXOBGLO-IFXCNKOCSA-N 499.564 0.627 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21)c1cc2n(n1)CCNC2=O 1786258815 DBRIRBBSFMNDCL-JQAYPSDKSA-N 483.550 0.720 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1 1786893794 NHIQDNHTTAMKQY-TXTZMMAHSA-N 482.578 0.498 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC(F)(F)C1 1788147116 PBNNARXGPISEDZ-QAETUUGQSA-N 499.511 0.946 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)[C@H]2C1 1788199582 HZGHDCNUWJJWFT-FFYZIMEISA-N 469.582 0.905 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)c1cc(=O)nc2cccnn12 1789197180 BYKVMWCKHHTBDX-ZJOUEHCJSA-N 457.490 0.735 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)n1 1789344707 UHHCXDUDWUBHPC-LNLFQRSKSA-N 452.515 0.780 30 20 JCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)[C@H]2C1 1789703066 QJOBELRERIGFRV-SZMVWBNQSA-N 486.594 0.624 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1793350217 YPYBSXCKNGOCTI-FEJSZKPUSA-N 456.543 0.912 30 20 JCED Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)c(C)n2n1 1795598265 MDNXVRVVTIVREW-HGKCTWBKSA-N 454.535 0.226 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccc2c(n1)OCCO2 1796283011 IOVSCKOERWATPG-SJSYYZABSA-N 460.487 0.585 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798695342 ZVRQUBKUULRHQL-JSJNYSNDSA-N 497.556 0.949 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4c(=O)[nH]c5ccccc5n4n2)C3)cc1 1798921298 FECUHXONEYJFTO-XEMDLRDOSA-N 483.488 0.959 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2)C3)[C@@H](O)C1 1799200087 RCYZKGVSAIODKF-SSTJLMRISA-N 484.553 0.989 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cn4[nH]cnc(=O)c4c2C)C3)c(C#N)c1 1799238784 ZRRZLHNUFMEIDT-OPMZPASUSA-N 490.520 0.657 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1799364658 VOXLKALGXXIEPN-JQTNSZOMSA-N 475.542 0.603 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCN(C)CC2)C3)cc1C#N 1801849246 VIKHINOMXYBUMY-RUMRUAAYSA-N 469.586 0.796 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801979516 VPAYGHNSTOSSHQ-QHKNVMFKSA-N 496.630 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCN2CCOC2=O)[C@H]1c1cccnc1 1802480305 CAZHYJXESPQUSD-VPVLLMPFSA-N 455.515 0.788 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCCNC3=O)[C@H]1c1cccnc1 1803549517 ZMLMAWZTQQQPQY-BLIXFSHQSA-N 464.526 0.770 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809959855 XBUNRVPFVFFGMG-PLNGDYQASA-N 453.503 0.121 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c1 1811410696 QOGQJUBPNYMKJP-KWOQKUFVSA-N 479.537 0.932 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)CC2 1814976544 VBRBQMBDEDTJFG-LLVKDONJSA-N 491.599 0.802 30 20 JCED C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1815195734 ZUYFCUSMJRZKKE-NVXWUHKLSA-N 451.549 0.171 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1819454259 GVKWSBYOBZIBQD-XXRDLDASSA-N 464.523 0.581 30 20 JCED Cc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)c1 1823770334 HBTCODAQPAICFE-CYBMUJFWSA-N 475.494 0.989 30 20 JCED COC(=O)[C@@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)NC(=O)OC(C)(C)C 1825674120 CJYFKKKEBRYOTQ-DGCLKSJQSA-N 494.526 0.600 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCN2C(=O)OCc1ccccc1 1829243622 FTRHRINBPSQQSC-XMMPIXPASA-N 463.494 0.329 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)nc(OC)c3)C2)C1 1831397287 WRLJDSAGAZOWRG-VFNWGFHPSA-N 451.907 0.852 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3csnn3)CCO2)C1 1831756126 LZJLBZIUHXLQCY-YCRPNKLZSA-N 479.559 0.525 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)C(=O)c5ccco5)CCO4)C3)c2c1 1832668179 BZXQWURDKGWTCN-HSZRJFAPSA-N 463.450 0.980 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1833451990 OYIOZHXQUXWBDM-BDFKGGEMSA-N 481.619 0.598 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833620738 HNRBYEBJRNBZBG-RDPSFJRHSA-N 469.542 0.910 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835145048 PVWNDNVOGIUFIQ-XXBNENTESA-N 480.583 0.898 30 20 JCED Nc1n[nH]c(CCC(=O)N2CCC(N3CCC(NC(=O)C#CC4(O)CCCCC4)CC3)CC2)n1 1835753277 GWPXHUNLBWBVQZ-UHFFFAOYSA-N 471.606 0.590 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CN(Cc5ccccc5)CCO4)CCO3)C2)CC1 1836685910 WRLNZIKIHNHVMZ-SQJMNOBHSA-N 468.554 0.648 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cnccc3[nH]1)CCO2 1837097801 JJUGXVZWHGRMID-GYLQWBMOSA-N 453.499 0.491 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837363108 CWFLNFXPYSIXMO-HJPURHCSSA-N 493.561 0.178 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1837392642 GLJVVEHYZCLFCB-SKDDIYDISA-N 490.557 0.022 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1837396998 QHTISBLEIOGJLM-FDDCHVKYSA-N 461.515 0.511 30 20 JCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1837446744 ODGBAEGARVVUGW-UYOJLFFASA-N 478.590 0.894 30 20 JCED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cccc1=O 1837488422 FBLLHOGKWPTUPQ-DEOSSOPVSA-N 457.527 0.154 30 20 JCED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c(F)c1 1837524293 DXGGFDZTFZUGLE-IQCWKEAXSA-N 480.493 0.828 30 20 JCED C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)C(F)(F)F 1837524593 JYXTVEGOZDOTGS-KYEHVDMXSA-N 467.441 0.285 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837758581 XZXHTVRZAIEEBB-HSZRJFAPSA-N 474.562 0.277 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1837869689 DJQZRROZOHUWLF-UHFFFAOYSA-N 456.609 0.702 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838111319 XDAZMSCFMZGNSY-DURYTUKUSA-N 492.529 0.920 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838333765 NQCAVTCOHPYRLD-DVECYGJZSA-N 490.557 0.859 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1838508272 GXQXAVFBCSTPRI-UHFFFAOYSA-N 473.530 0.697 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839036671 LIQPNPIUJUQLOX-VOIUYBSRSA-N 483.500 0.914 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccc(F)cc1)CCO2 1839037731 VJJQCOCBQQSVAP-LRAJWGHMSA-N 453.536 0.719 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c(C#N)c1 1839132790 PQOSNSREMPIKEQ-QFIPXVFZSA-N 484.469 0.511 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c(Cl)c1 1839423341 VAVKCLLIUGJMED-QFIPXVFZSA-N 472.885 0.994 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1839894074 HPMINYDBJANOCH-ACJLOTCBSA-N 467.441 0.404 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(F)c(OC)c1F 1840043557 GIVNJGYGZMTLSH-OAQYLSRUSA-N 468.409 0.140 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840071686 DNMLSANXEGCMGX-KTXJPYHWSA-N 492.573 0.628 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1840108307 OXJGHQJUHASOEX-JTUHZDRVSA-N 482.578 0.437 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CNC(=O)C(F)(F)F)CCO3)c1 1840201491 SXRVVBQCGFPHOV-OAQYLSRUSA-N 482.459 0.626 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1)c1ccc(O)cc1 1840221890 QWOVGEVZFPWEGJ-HOYKHHGWSA-N 468.510 0.222 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1)c1ccc(O)cc1 1840221900 RMPFBNREINDJBK-KCWPFWIISA-N 498.624 0.593 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c1 1840264771 PXBUGTMRMNMKHB-MZNJEOGPSA-N 466.494 0.309 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840463486 LRSXSKCLDUMJFW-CYFREDJKSA-N 491.589 0.888 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816246 UHVGLPKNBVNRTC-UUOWRZLLSA-N 454.527 0.955 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1840840350 NJILQBNLGZTOOY-VWLOTQADSA-N 467.522 0.933 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1c(I)cnn1C)C2 1841054500 HYCFWFVDLMQXBZ-WAYWQWQTSA-N 483.310 0.700 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542509 CHTSWBPAKFHMSP-QGZVFWFLSA-N 461.563 0.945 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1841583686 JHBUVJWZYMVYBU-XCGNWRKASA-N 484.619 0.987 30 20 JCED COC(=O)CNC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 515221808 PESVGPDSXKELHF-UHFFFAOYSA-N 485.522 0.999 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C1CCN(C)CC1 518723226 JMYOMEXZSQDOIY-UHFFFAOYSA-N 470.595 0.841 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(F)cc3C)c2=O)cn1 523865141 QVJKKJCOHGFNFK-UHFFFAOYSA-N 467.526 0.925 30 20 JCED Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccnc3)c2=O)cs1 524337355 FMAIRPOLDHQOCI-UHFFFAOYSA-N 467.576 0.674 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592988250 YTYAMHMDGKLUOU-UHFFFAOYSA-N 468.514 0.471 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C 604472895 XXKLMGJHEJZTOE-UHFFFAOYSA-N 496.511 0.967 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828441 TYHYGSNGOZHDAJ-CQSZACIVSA-N 480.521 0.791 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)C[C@@H]3CCCCO3)CC2)cc1 726350523 KSYDKEVCRZWUHU-KRWDZBQOSA-N 455.558 0.974 30 20 JCED N#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 727942078 UCBLCVPNCMETDC-UHFFFAOYSA-N 493.567 0.452 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c1=O 748043494 WIQNPUATFGDBSI-WMZOPIPTSA-N 486.594 0.224 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 749504658 KDQNNHJLDRLFIY-UHFFFAOYSA-N 486.528 0.932 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@@H](C)C(=O)N3CCN(C(C)=O)CC3)nnc12 853658054 ZRJBLROOXFPVEJ-HNNXBMFYSA-N 498.565 0.945 30 20 JCED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(C)s2)c1=O 917786386 IYAQCWXCJAQVDQ-UHFFFAOYSA-N 450.611 0.790 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)c1 918254777 MWEFPZLZMZACEY-NCELDCMTSA-N 475.571 0.955 30 20 JCED Cc1cccc(N(CCC#N)C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 918863893 JBJZQHITKOXZTM-UHFFFAOYSA-N 452.471 0.541 30 20 JCED CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1287089629 POJUCYJRUJOQBQ-BRWVUGGUSA-N 467.592 0.865 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCOCC1 1288525461 OFMZSWXYGVUDDY-DLBZAZTESA-N 469.612 0.460 30 20 JCED COCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1315849915 YVJJIHCZKRADEU-UZLBHIALSA-N 486.570 0.496 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1504874762 WGYKTDHZIPEIGF-SFHVURJKSA-N 481.600 0.749 30 20 JCED Cc1cc(C#N)cnc1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1540537201 LMAREXCDVQJVAS-UHFFFAOYSA-N 456.528 0.640 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CCO1 1618694956 ZJZZDKNVRUTFFN-HKUYNNGSSA-N 467.530 0.263 30 20 JCED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1619553369 NOPOQXKTRICNDG-HSZRJFAPSA-N 453.547 0.615 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2ccnn2)CC1 1697023570 NMCQGDBOOARWAH-UHFFFAOYSA-N 455.548 0.874 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2nccs2)C1 1698313038 RPQPHLQYSRADSY-CXAGYDPISA-N 455.541 0.752 30 20 JCED CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)CC(F)(F)F 1711212980 TWSAMOMYIOVRKB-ZBFHGGJFSA-N 475.541 0.851 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1729691352 XZMCNCISLDAVAX-FUHWJXTLSA-N 474.543 0.115 30 20 JCED N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(=O)(=O)c2ccccc2)C1 1731178207 JGGACEYVEBMXMV-FQEVSTJZSA-N 461.523 0.935 30 20 JCED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1748282765 QYEOPLOOTVINEE-SFHVURJKSA-N 466.546 0.773 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)cc1 1778376889 RMQFHHXZHNCZOY-RUZDIDTESA-N 476.537 0.965 30 20 JCED O=C1NCc2cc(C(=O)N3CC[C@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)ccc21 1778723319 QWEQAPHSGROTKV-ZWGHOPNTSA-N 456.499 0.903 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1780899149 KDDOXVWJOWILNH-SQGBVDNOSA-N 472.517 0.632 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)c(C#N)c1 1781173685 VJTCDCNDDFWKNL-RUZDIDTESA-N 492.536 0.583 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1781270234 DBHGICGFCDGNHC-HSZRJFAPSA-N 485.497 0.631 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1783150279 LWXIIPHZOFXLEP-HTAPYJJXSA-N 452.552 0.812 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C[C@@H]21 1783531086 BRXVVFHVYHWWNG-KJDLQJKJSA-N 464.526 0.923 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc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c3ccccc34)[C@H]2C1 1791037023 XLLYSLNIUJHTSY-MJKFYLGZSA-N 478.549 0.735 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)O[C@H]2C1 1791077671 CLAOUSWLWFVZFR-WXJALIKYSA-N 491.541 0.079 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1793350003 GVZNIUQODDGXOX-CWPLJXCYSA-N 480.525 0.757 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@H]1CCc2nc(O)nc(O)c2C1 1794113298 NGWICTXJTIFVAL-GYNIAHOFSA-N 489.529 0.111 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)[C@H](O)C1 1795416397 MMWYTVCAHNMDTQ-KMOPNRPKSA-N 450.536 0.498 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1c(=O)n(C)c2ccccc21 1797172084 ZFNMWFZQEFFNSD-OPOADAIRSA-N 457.531 0.731 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1797817994 FJPXJTOQXZCDFU-CIIYVVKOSA-N 496.520 0.848 30 20 JCED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)no1 1797827478 NEPPSICOHXITPA-UPHUGPLXSA-N 458.515 0.001 30 20 JCED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2)c1ccccc1 1797877693 RMXAJVAKPQFFEF-UHCVVMIDSA-N 480.609 0.937 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)C=C 1797939052 ANNQUWKJGNZBIH-LVEJAMMSSA-N 464.563 0.736 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)C1 1799196112 GJPPQFMNVGRTMC-CWQOZTLDSA-N 462.547 0.498 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C3)c(C#N)c1 1799237528 QHTRLSFMBSJYSI-VLFYUQFDSA-N 485.566 0.501 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C3)c(C#N)c1 1799239905 WVWCKSKIKWIHMQ-HRQSHJORSA-N 488.541 0.542 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1799354093 QGJAIYVPAFKMPH-DFBDCSAJSA-N 470.567 0.653 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1800534475 CIWWUDLENGLAAT-LFZDHENXSA-N 478.590 0.797 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800733777 SMKRFHAHEBJDQW-JUUPIIADSA-N 464.522 0.344 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1800807912 CPJSZBHQDJHZNZ-IHEQNBGGSA-N 495.573 0.456 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CNC(=O)C(F)(F)F)c2c1 1801035413 HKNOCYRRYSREDI-DRXBFXEBSA-N 464.404 0.316 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1cncn1 1801262679 WRXMZVXDHSGIPQ-RCLSDMTESA-N 488.589 0.955 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2)NC(=O)OC(C)(C)C 1801930700 QVUINYPCLPJINY-CURYNPBISA-N 478.590 0.962 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc(C)n1)C2 1802124478 CEACHZBOCNBUHD-AJYBTWMASA-N 459.547 0.698 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnoc1COC)C2 1802127005 NTBIHKLFFQUHIR-LORHWOILSA-N 476.530 0.941 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806590593 WXQKKYASXQNVDF-QGZVFWFLSA-N 489.573 0.686 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CN3CCNC3=N)C2)CC1 1809752632 JUOZBADGLJGYLB-GOSISDBHSA-N 474.606 0.974 30 20 JCED NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1814806867 RLWSBPHFMUWEGW-RCIZVMDJSA-N 452.537 0.177 30 20 JCED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](N)CN)CC3)c(C(F)(F)F)n1 1815975615 KWLGOLFEQGHEEY-KWQFWETISA-N 453.450 0.940 30 20 JCED Cn1ncc(I)c1C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825667537 MTMDQZCMDNDWGF-QMMMGPOBSA-N 499.290 0.795 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)sc2C1 1826643849 LXGMILRTESXZPE-FIXGOIDJSA-N 485.570 0.384 30 20 JCED Cc1ncc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)cn1 1829332540 QWQCXTILCZOFNN-VWLOTQADSA-N 491.504 0.939 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1829344994 FPMFASKVGVBFIB-XAEMIUIASA-N 491.614 0.350 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1829461386 WHGACSMBVKENID-CPJSRVTESA-N 484.553 0.915 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Sc3ccccn3)C2)C1 1829773815 WTDUILTUUKZOAW-PWPXAWQVSA-N 474.583 0.877 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1830639503 WWMLQIPBUBNWJV-HSZRJFAPSA-N 457.531 0.465 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1831402491 ISOUKJSKDNMSBK-MOADCYBESA-N 489.544 0.368 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1831433820 ZFHLZGLOOFITFF-FLFXDLLNSA-N 497.589 0.262 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832531371 OOEZTWXCQKACHI-CJAUYULYSA-N 483.521 0.167 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)cc1 1832729430 DTHQQTVXWMUEEK-VWLOTQADSA-N 477.521 0.648 30 20 JCED COc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1832914970 IYQJGIKEAZAKIP-RGXRWQALSA-N 473.574 0.951 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)CC1 1833076171 DDLVCYPZERPVTR-FPLPWBNLSA-N 467.570 0.829 30 20 JCED CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833144587 IFKHVSAXEQUQQU-DOZBRYHWSA-N 466.583 0.358 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1833476117 YECWQEMFTHGFTO-RKVPGOIHSA-N 465.620 0.952 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1 1833610464 ZISQBACXSVFZMS-KRWDZBQOSA-N 454.568 0.338 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3OC)CC2)CC1 1833967738 ILAAFKOVETWQRS-PLNGDYQASA-N 456.547 0.529 30 20 JCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c1Cl 1834674187 FQAAGJNOVYRISA-IBGZPJMESA-N 474.993 0.990 30 20 JCED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)C(=O)O 1834739705 NCXNQEGYTRVNJC-GXDFBKAQSA-N 450.584 0.092 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3ccco3)CC2)CC1 1834868261 QAOPZAJJEQOLCY-UHFFFAOYSA-N 472.590 0.863 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096327 BMEKRIFLRNOYJJ-CPJSRVTESA-N 487.553 0.380 30 20 JCED COc1cccc(N2C[C@@H](C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)CC2=O)c1 1835350852 DNYSXCZLSUQVME-UUOWRZLLSA-N 470.526 0.808 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1835408013 XNTHCJKOMZOPNM-RUZDIDTESA-N 485.585 0.031 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835515759 SMZDBUFELCLMHS-OAQYLSRUSA-N 486.617 0.775 30 20 JCED Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c2c1CCC2 1835677646 SPGKWCBPXRJLHI-QHCPKHFHSA-N 458.563 0.261 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1835767296 OARHFWAMUNLKNH-YQNSVDCASA-N 491.549 0.892 30 20 JCED C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835829616 BKXIAKPUGOSMGH-TUGUMKMLSA-N 463.579 0.778 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nc(Br)nn3c1)CCO2 1836255760 SOSBTZRBLJSENU-LJQANCHMSA-N 477.319 0.866 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836259611 IKVJVADLQJXJDM-VBKZILBWSA-N 452.533 0.120 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)CCO2 1836588905 PZOSOLXDOVTHNR-HRAATJIYSA-N 471.501 0.968 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)CCO2 1836588908 PZOSOLXDOVTHNR-KKSFZXQISA-N 471.501 0.968 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1837000602 TWUVJOSGXPLLAR-GMSRIDPHSA-N 471.514 0.933 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)N2C[C@H]4C[C@H]4C2)CCO3)c(C#N)c1 1837287013 MCDWYPXHDDORLS-AHQSTGFLSA-N 482.581 0.906 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1O 1837447322 XVTBEVHFFCECET-FYWXSZBBSA-N 487.557 0.892 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565576 WTBBEZWXKXRBSM-DVEIYGRRSA-N 473.526 0.910 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837743916 WZCINCVDOZYEPW-OKEGVBJISA-N 458.563 0.810 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1837816151 YECLOSZRBAKHKA-UHFFFAOYSA-N 463.623 0.989 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1 1838735089 VPUWGLANGIGDNJ-QHCPKHFHSA-N 486.550 0.739 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c(C#N)c1 1839131048 JKXJWQWEFQDLFH-QHCPKHFHSA-N 472.498 0.018 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1839190869 INGOVOVKBQVISP-FCHUYYIVSA-N 453.536 0.703 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204028 DWQITJOMKSXTFQ-WZONZLPQSA-N 467.563 0.522 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1839223002 HVPYRSGTFXSWSR-HTAPYJJXSA-N 496.586 0.497 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn4c2OCCC4)CCO3)cc1 1839516372 OEDXSEKSDTVZHU-DEOSSOPVSA-N 465.510 0.850 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C1)CCC2 1839583196 VTFQNOMQEMVAGH-QHCPKHFHSA-N 458.563 0.261 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839666144 SFFSRHCPRZHXHT-IXFSTUDKSA-N 460.531 0.247 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNCC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1839807242 XHMUDJFHOQJAPP-DEOSSOPVSA-N 478.590 0.313 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)CCO2)C1 1840008594 MRKBYRFZUMPFMF-OYHNWAKOSA-N 498.602 0.527 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H]3CNc4ccccc4C3)C2)C1 1840041968 SANRCWWKYUDFBQ-UUOWRZLLSA-N 455.511 0.595 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1840157319 LCWMMJKUXLIRPV-MWTRTKDXSA-N 475.567 0.376 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCCO3)C2)C1 1840160597 MFEYIFGLHKGVKP-YVHKJVDXSA-N 487.619 0.787 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1840162366 VWQUSOLSSFJTKL-XCLFUZPHSA-N 463.516 0.067 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1840820865 NMHBJSWOZJRWQN-FQEVSTJZSA-N 484.431 0.072 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880628 BRNOKKUOQXOHQG-KLTBXSLDSA-N 476.526 0.846 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1840912463 JGGPQDRVZAEXQV-UOKFIYJESA-N 489.573 0.878 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]3CCCO[C@@H]13)CCO2 1840917880 UPKOTYIVTBURPB-NTWACIBNSA-N 491.585 0.738 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840945158 IVQDKJKINLCWRE-VGSWGCGISA-N 485.553 0.993 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)C#Cc3ccc(Cl)cc3)C2)n(C)c1=O 1841261897 QLFKMVWCDGPZRB-UHFFFAOYSA-N 494.939 0.342 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CCOCCOCCOCCOC)C2 1844238287 SVDHCJNKMOFTQJ-IBGZPJMESA-N 456.580 0.849 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1847941945 HLVFRQQAPUQABV-BZSNNMDCSA-N 484.619 0.388 30 20 JCED COc1ccc(CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 11354083 HLCCGEFVLNISFD-OAQYLSRUSA-N 465.528 0.610 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)NC[C@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)cc1 502056555 WPNKRVYEGQKSLE-LJQANCHMSA-N 479.562 0.829 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cccs3)c2=O)CC1 514368058 HYPUWASJSBIWRO-UHFFFAOYSA-N 487.651 0.189 30 20 JCED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 516046062 WYRKEHJYEAFDIS-UHFFFAOYSA-N 469.523 0.698 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCc1ccccn1 523574266 GYEVJBLIVCFSFG-UHFFFAOYSA-N 452.511 0.952 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)C1=O 726042866 NFLWDJAXWIIKJO-UHFFFAOYSA-N 456.499 0.549 30 20 JCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC(=O)NC2CCCC2)C1=O 726403827 NOPLFHAYOGHLOR-LTRAUPRXSA-N 481.600 0.329 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC1 728536066 HLIAVPFEWRHCGB-UHFFFAOYSA-N 454.980 0.924 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 811833673 MMGOXFSRFRTHHG-ZBFHGGJFSA-N 456.542 0.179 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(N3CCNC3=O)cc2)CC1 812915483 ZTEMVZFMBBVJRM-UHFFFAOYSA-N 497.533 0.778 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286535546 ISZYJHQGTOTUTG-QWRGUYRKSA-N 458.404 0.666 30 20 JCED CS(=O)(=O)c1ccc(OCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1302428533 SYJAZCHBNLKZEG-WBVHZDCISA-N 460.516 0.440 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(OCCO)CCOCC1 1625860697 KYBBWWTWBZNGNQ-KRWDZBQOSA-N 453.561 0.814 30 20 JCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1698034509 IYQQJBZUZZXKPE-LJQANCHMSA-N 489.602 0.782 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1711420657 VWUUNTDDVSVDQS-LJQANCHMSA-N 473.603 0.915 30 20 JCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)[C@@H](C)C1 1760608549 GPXIIMZSAXOTJY-INIZCTEOSA-N 457.560 0.909 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(C)(C)N1CCOCC1 1761498624 HIJAQXSNLAXWLJ-SJLPKXTDSA-N 480.639 0.176 30 20 JCED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1768335922 LZYVYWBRBASWBW-HKBQPEDESA-N 480.616 0.969 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778850755 GYJWPLAXNIOIPV-AIYSXCBHSA-N 489.577 0.619 30 20 JCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1780533279 MAYMJKOBDAUXEV-TUVUNVSASA-N 459.474 0.546 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C3)c(C#N)c1 1780686991 UCILZPHEILZUKT-DENIHFKCSA-N 494.485 0.348 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781114649 KOAZDCPFKFIMSA-XFAGBWLFSA-N 495.573 0.554 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1781165152 BXQQRPZBCYYGBO-SBUREZEXSA-N 464.563 0.779 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)c(C#N)c1 1781174505 OMOGFGKQYVZAMJ-XMMPIXPASA-N 478.509 0.193 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781290494 HPVCOGCSKCXEAR-HKARXFIJSA-N 481.594 0.269 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1781294723 IECPADOTRSOITA-XDHUDOTRSA-N 490.557 0.601 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C(F)(F)C1 1783565755 PTASICJPBPKLDF-YCRPNKLZSA-N 485.484 0.797 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1783686209 IWVQYKSBDIAKCU-VWLOTQADSA-N 489.569 0.892 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1784784483 BUVRQWHVBWKTEE-XSLAGTTESA-N 478.594 0.275 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1784786445 OPAITMLZPGZGTC-NXOAAHMSSA-N 452.552 0.572 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)n1 1786858265 KGOYDHNRZOBMMH-ZOBUZTSGSA-N 474.518 0.874 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)[C@@H]4SC(=N)NC4=O)[C@H]3C2)c1 1787496566 YVMHQXNNHNDYDM-YNRLTXHDSA-N 485.566 0.963 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@H]2C1 1788470087 WRIOAUKTGOFNQM-BRFLTPSNSA-N 498.577 0.500 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789345065 NXBCXYZDGRYOEN-DWRORGKVSA-N 475.546 0.755 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1 1790850410 SMSKISCGOFRDNC-NXOAAHMSSA-N 452.552 0.701 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)ccc1F 1791394921 BCRSPQKHMQKGDL-IEZWGBDMSA-N 454.458 0.145 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1792267833 IXICFSJCQCXGFS-LKBVBZQSSA-N 464.563 0.570 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-])C2 1792490980 WWJFGTWFAJOIJI-IBRLJDPESA-N 486.481 0.443 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(C)=O 1792539588 XMQVZLHVZQRSLI-QKAMHHOWSA-N 478.590 0.960 30 20 JCED CC(C)[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1793614712 YLABFTAXHSEIGX-OJUAWKFGSA-N 468.645 0.759 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1793820195 OFLGUKFQVPFAJS-KYHPRHEASA-N 456.609 0.737 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2nccn2)C3)CC1 1799236285 DWNDCWGIYDJURO-IZZQQSIFSA-N 487.561 0.409 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)(n2ccnc2)C1 1800329818 GCNYKGYRMKTDKN-PDPLOHQNSA-N 472.546 0.722 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801052654 WZQGLMAWPXXRBK-DMNLGMSASA-N 495.573 0.457 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1801883477 NTCRIPVDPTWXEL-HATOLVCRSA-N 475.567 0.324 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801983188 NMIXDGGPGMKSDZ-ALXJQNPVSA-N 450.536 0.811 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CCC)C2 1802125626 KRQPJKADDMEMDI-PKRADWSKSA-N 478.590 0.797 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)[C@@H](O)N4CCOCC4)[C@@H]3c3cccnc3)c2c1 1810351486 LFURFDJALAZZME-WSUBETFTSA-N 489.536 0.800 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812880275 NPVJZAVBZLHXMY-ABSDTBQOSA-N 474.514 0.451 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1819425431 FKSZTLCJXAGXMK-INIZCTEOSA-N 479.501 0.540 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)C1 1822202697 ZRJVYKCIEWGCQK-KBMXLJTQSA-N 475.502 0.718 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665386 JCFZQRSDIIXVSG-OBJOEFQTSA-N 478.527 0.513 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCN2C(=O)OCc1ccccc1 1828589815 NZRYDVICOKPWOJ-KHOMTPLRSA-N 498.536 0.585 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)CC1 1828922270 CQFVSBQBHBNUFO-QHCPKHFHSA-N 468.514 0.411 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cc3ccccn3)C2)C1 1829773140 BWQRLDGGTSAOEA-PLKRASQRSA-N 456.543 0.575 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1829860724 FDSZGCCXZXLAQU-MBSDFSHPSA-N 468.514 0.419 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1830338551 LMRNKEFJFKNDRO-YLNCNTMDSA-N 459.499 0.086 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1 1830462251 AQZZLUWPHAMRCH-HYBUGGRVSA-N 454.527 0.473 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1831392404 DHLOXXFKWSKWKW-LIRRHRJNSA-N 456.421 0.604 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4ccc(OC)nc34)C2)C1 1831396914 MMELYLWORVZVOD-HJPURHCSSA-N 456.499 0.680 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(c4ccc(F)cn4)CC3)C2)C1 1831402440 YYCYLFHMVYOHSH-KBMIEXCESA-N 488.560 0.932 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1831421278 HHEUFPLFFKLLQC-MBSDFSHPSA-N 455.515 0.928 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1831496515 XXNLAFURFRMQDM-REWPJTCUSA-N 462.616 0.794 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1832456341 NEMDCFCEYHUIEC-IOUFHMPJSA-N 463.556 0.828 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3c(=O)oc4ccccc43)CCO2)C1 1832756073 YYAGQZOVXAQQSX-HOYKHHGWSA-N 471.510 0.479 30 20 JCED CC(C)c1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1832788815 GZGWAURMBUJEOW-GTBXIFBCSA-N 479.534 0.721 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833209161 AZPCYZZCEPVZKH-FQEVSTJZSA-N 452.895 0.709 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc[n+]([O-])c4)CCO3)C2)c(O)n1 1833271211 PJJYFIXAJCMBID-XMMPIXPASA-N 468.510 0.923 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nc1 1833647167 ARRQQYLRTZKJFW-JKJLQIMHSA-N 458.563 0.689 30 20 JCED COc1cc(C(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)n(C)n1 1833952892 CYPGHRNCXHMWAI-UHFFFAOYSA-N 459.595 0.896 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)C(=O)Nc3cccnc3)CC2)CC1 1834716223 OYCZSHJRKWTKDB-UHFFFAOYSA-N 469.590 0.874 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)[C@H](O)C1 1835352363 VQNHETPQFONXHP-YZZKKUAISA-N 480.562 0.364 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1835529559 YEJIVBVJBIPDHE-YDIMBITNSA-N 480.606 0.734 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)C1 1835675256 KXFUNNXRELXZAJ-SQJMNOBHSA-N 483.569 0.918 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1835680778 OABDFUBAIOPOGH-HSZRJFAPSA-N 499.528 0.823 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1835766080 WKEPCBYZCKUVNC-TYEVOWRTSA-N 451.524 0.195 30 20 JCED O=C1NCCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#Cc5ccccc5)C4)C3)cc21 1836779635 PNJHVCPCJKJYSZ-VWLOTQADSA-N 477.521 0.138 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837159706 BOYHYSSNJNPEMN-FPHRNUPISA-N 471.514 0.933 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H](C(=O)OC)C3)C2)C1 1837391530 SCHVQCHIJUSZKF-YDSTWLSQSA-N 452.548 0.605 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837480510 RTNKVVASRIKDJJ-VGOFRKELSA-N 459.551 0.015 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1837525630 XWIORBFGYORIBA-QXWBZLDISA-N 453.536 0.931 30 20 JCED Cc1noc(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525714 YUZLTUVKZUINBG-CYSJGKSUSA-N 464.519 0.819 30 20 JCED NC(=O)[C@@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1837881674 JEMTYYWNZJYEFE-BHSAALAHSA-N 467.567 0.107 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/N5CCCCC5)C4)C3)c21 1838439587 SQTKFYOIWBTKTI-DXPRYJPLSA-N 484.557 0.821 30 20 JCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)nn1C(F)F 1838705877 FRBCXNQPNVKCOV-NRFANRHFSA-N 468.505 0.939 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)c(OC)c1)CCO2 1838985530 IPQPFMSLNWBKKW-IBLIISRWSA-N 457.527 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(c3ccccn3)CC1)CCO2 1839050679 JMJPKXOMRGDDDC-PXVHBKPVSA-N 497.596 0.613 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1839173975 YLKHUJNOGBRHAM-QFIPXVFZSA-N 457.487 0.309 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1839174271 QIEPBUIPFJATRU-QFIPXVFZSA-N 465.478 0.809 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)c1=O 1839487332 BUSKMOULIRMBMI-DEOSSOPVSA-N 476.493 0.517 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630267 OYPJCABRLFRXIA-JBMWNJKUSA-N 452.471 0.740 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1Cl 1839783642 LAFMGHSPWGUMFC-DYESRHJHSA-N 481.958 0.859 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)O)CCO2)NC(=O)OC(C)(C)C 1840030024 YFQXWGLCAALOBE-YVHKJVDXSA-N 455.552 0.683 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840089270 REROUILWWHESED-MMCQHXDLSA-N 498.577 0.885 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1840108041 LWEMRQOEAXQWAJ-YVHKJVDXSA-N 455.552 0.683 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1840715559 FWVMVRIMUQLDQF-MONBJTKQSA-N 475.567 0.961 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820053 WEYIDOXLAACYFP-HOYKHHGWSA-N 472.542 0.698 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1840844713 IXCJQPPHDYFNDF-CYFREDJKSA-N 489.573 0.715 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842920706 PTVGLSFWSSMNPH-MRXNPFEDSA-N 451.568 0.747 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)C/N=C/c3ccco3)C2)C(=O)C1 1844315773 BURQQBNCKRVFBB-BRJLIKDPSA-N 487.557 0.981 30 20 JCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1846331005 ZAGGLXBCEDDQPO-ZIAGYGMSSA-N 463.622 0.836 30 20 JCED COc1ccc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1S(=O)(=O)N1CCOCC1 10473787 ABIQAPJUCQSFEG-HXUWFJFHSA-N 453.517 0.927 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2C(F)(F)F)c1=O 489001814 OTDLHVBALSWDKE-UHFFFAOYSA-N 480.512 0.900 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 495273412 YHEPWAWWQFDFBK-UHFFFAOYSA-N 472.527 0.169 30 20 JCED C=CCN(C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 498018135 ASEDUSNPNBGRQP-QGZVFWFLSA-N 472.585 0.460 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1CCc1cccnc1 524109659 NTLXWWZKMLHWLT-UHFFFAOYSA-N 494.573 0.830 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C1CC1 591000123 DBWOPISSEBCPGJ-UHFFFAOYSA-N 459.524 0.979 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc1 603500533 MPFCDDFEUKHLOE-UHFFFAOYSA-N 461.525 0.946 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CC(=O)N(C)C 604270126 HKMUFJRGYLNRCJ-UHFFFAOYSA-N 470.595 0.579 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(OC)nc3)c2=O)cc1OC 608884405 QIQSHGUDIINDHN-UHFFFAOYSA-N 496.545 0.968 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)CC1 729372331 VCHZNOXAKCNTNP-UHFFFAOYSA-N 471.377 0.207 30 20 JCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 844254639 YHACSJZGNVCNJC-UHFFFAOYSA-N 456.503 0.304 30 20 JCED O=C(COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)NCC#Cc1cccc(C(F)(F)F)c1 914653120 OKNVERWSHLFLDB-NVXWUHKLSA-N 486.468 0.752 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)o1 919181902 NTULUHOLNAONOZ-YLJYHZDGSA-N 499.499 0.390 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919646640 HBHXUKDRQBLGIG-CYBMUJFWSA-N 451.457 0.179 30 20 JCED C[C@H](CN1CCCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1706814729 DICBTBFKVOHCSJ-LMMKCTJWSA-N 464.640 0.797 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCC(=O)N1CCOCC1 1706868060 TUSAFCUGXNLIAH-HNNXBMFYSA-N 453.569 0.267 30 20 JCED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1731187435 PUNONSHPSSRIBB-CABCVRRESA-N 464.573 0.966 30 20 JCED CN(C)C(=O)CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1747529785 SMHOAVLPXVZEBF-KRWDZBQOSA-N 475.575 0.793 30 20 JCED COc1ccc(C)cc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1748600512 VZKFQZRGHGOGHS-ICSRJNTNSA-N 490.586 0.900 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1750060728 JFFSTGSCJKOXBZ-MGPQQGTHSA-N 467.518 0.747 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCCS2)C1 1750212093 YDJHBLYIKXDGMF-XHSDSOJGSA-N 456.594 0.625 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778089825 FVBDCBYCXDQDPK-DBXWQHBBSA-N 472.608 0.727 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)C1=O 1778710699 IIZOSAMNPFZABR-VWLOTQADSA-N 465.506 0.964 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3CCN(C)CC3)C2)c1 1778848080 MRQBVNIWZXLSOZ-RCZVLFRGSA-N 469.586 0.942 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781341720 ZGXDLDJKRJSEEO-DGGJZMOXSA-N 469.579 0.665 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=O)COc3ccc4scnc4c3)C2)C1 1782796823 LCYHPCWHYHALKV-JOCHJYFZSA-N 456.524 0.645 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783152002 WDUVJGNVHGFSAX-NPFVIJTESA-N 450.536 0.422 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@H]1NC(=O)OCc1ccccc1)CCO2 1783566125 YYJMLFCFZKYNES-FHAGJXEFSA-N 483.521 0.999 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cscn1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784309859 ZURXOVGDIWMAHK-OPAMFIHVSA-N 492.554 0.497 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(C)=O)C[C@@H]21 1784784735 SKNDHCKPQIBPQC-HZZCBIDNSA-N 466.579 0.960 30 20 JCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1785014459 CZHHHEIPQGWZAD-XEZPLFJOSA-N 454.574 0.351 30 20 JCED Cc1cn(CC(=O)N2CC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)c(=O)nc1O 1785350953 AZISLOQWJCGKOH-HSZRJFAPSA-N 451.483 0.202 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1785592453 BWSHFGRKGILUHK-JXULPDFHSA-N 464.563 0.797 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789935417 IDSBRUPMGDZIDB-OYSTVDSJSA-N 467.563 0.280 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(I)c(CC)nn3C)C[C@@H]21 1790790480 BZLPJUWTWQTHNX-OBJOEFQTSA-N 470.311 0.814 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792625428 UEVFCCOQFVUTDE-DFGXFYAUSA-N 467.567 0.317 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1793594852 GSOPMQBBXTYLRN-IIZPIQPGSA-N 493.649 0.683 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795414048 YIWZCZFTLUPRHW-FZKCQIBNSA-N 464.519 0.336 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795853607 XDXNKVPXPIWQNH-XAPVIXHLSA-N 482.541 0.739 30 20 JCED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1)C(=O)c1ccccc1 1797740010 OPCSSOPICBDTFY-SHWXKEPLSA-N 455.559 0.820 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)NC(=O)OC(C)(C)C)c(O)n1 1799682316 YXYAESOWXYSWOY-POXQLVPFSA-N 490.557 0.952 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)[C@H]2C1 1800721226 SJIJRVXKNGRDEC-OHWWPSECSA-N 475.542 0.557 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1802140826 NDENGVPJNQSHHZ-QHGJDBTRSA-N 476.574 0.666 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808356266 XFKAWDLWTYJLSG-ZWOKBUDYSA-N 474.514 0.715 30 20 JCED CN1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=N/O[C@@H]4CCCCO4)sc3C2)CC1 1819902983 WDUDTMACXOPNGE-CAEKMKARSA-N 464.592 0.832 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3ccc(C#N)cc13)CC2)C(=O)C(=O)O 1824676715 CLLJFLVZLKBGSJ-LLVKDONJSA-N 481.494 0.660 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828575848 SHROHEUAGVOITE-VWLOTQADSA-N 463.490 0.940 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)c(F)c3OC)C2)C1 1829771066 CZEUUJMLEHGXHV-FUMRIQNTSA-N 479.480 0.902 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C(=O)c4ccccc4OC)C3)CCO2)C1 1830425402 IFSUPCFIRHMQHU-NIYFSFCBSA-N 499.564 0.262 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1830641890 FWTRKBOAHZNLIY-QHCPKHFHSA-N 483.631 0.883 30 20 JCED CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830777376 GGHDSETXSVRZHM-RDPSFJRHSA-N 456.543 0.878 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 1830877737 NALHDFLZJHMCOR-IXFSTUDKSA-N 467.563 0.376 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2)C1 1831386455 GPEDRTGKLAUMKF-XMODTWTHSA-N 497.589 0.409 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c[nH]c(C)c3C(=O)OCC)C2)C1 1831388721 WNMAYNHAGBALBK-CLOONOSVSA-N 489.569 0.927 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1831434712 FTOIOOWGYFUQRI-WZONZLPQSA-N 455.515 0.928 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)CCO2 1831522819 GEYREAXZEDZHRD-KWQGRVAKSA-N 496.564 0.720 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1834109909 XWGLEZBMRUVECB-KSFYIVLOSA-N 461.519 0.396 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1834715383 ALDAYXJISNPVSD-UHFFFAOYSA-N 474.566 0.645 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)[C@H](O)C1 1834760504 FJBPPKZETUODHE-VSDWSMLSSA-N 480.562 0.364 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@@]3(C1)CN(C(=O)C1(C#N)CC1)CCO3)C2 1835346653 NPUNVPWNBNAUJZ-BXKMTCNYSA-N 485.541 0.382 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835351914 FBBFBEKVCXXVLO-NTUVXCKYSA-N 494.589 0.755 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CC1 1835404897 PUVJCPNVYZRWFU-DEOSSOPVSA-N 473.549 0.405 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835640892 YBZPXBPQYDDLTA-DVECYGJZSA-N 498.621 0.668 30 20 JCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835672954 ONAFOHCDCWFDPU-HSZRJFAPSA-N 472.546 0.392 30 20 JCED CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(=O)c1ccccc1 1835675555 WBAGHPTUFHHBLY-RUZDIDTESA-N 485.585 0.497 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1835768371 BRNMSWKQDOYVIY-GVFUYMABSA-N 475.546 0.012 30 20 JCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)N1CCN(C)CC1 1836374368 XAWOJMUYNMGNME-KCOFUKACSA-N 492.665 0.723 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1836388437 VTELVOZMIGWJNY-SFTDATJTSA-N 492.665 0.541 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1noc3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1836772271 BJSAGUAMKDMLDV-HSZRJFAPSA-N 474.514 0.671 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836988774 FQBPBIJOVGWJQL-QMHKHESXSA-N 459.499 0.679 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1837308942 DYEIJSZBTUNHOF-VIZSFHNOSA-N 466.531 0.706 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837640098 CAHNIRCXBBUSIN-NTKDMRAZSA-N 466.542 0.875 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838404584 GHLTWIQUCKCEQU-VWLOTQADSA-N 486.569 0.586 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)ccn2C)CCO3)c(O)n1 1838529897 NNFFSHARENVBKS-VWLOTQADSA-N 482.537 0.988 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)ccn1 1838736948 CEJJNPIEKLJNKO-JOCHJYFZSA-N 452.471 0.624 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1839173977 YPMZGSSFHVCEAZ-QHCPKHFHSA-N 456.499 0.914 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1839175227 WBFYUUAUETXDGG-OAQYLSRUSA-N 475.527 0.666 30 20 JCED CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839489494 YZKBJFMDWWYWRR-XMSQKQJNSA-N 473.555 0.619 30 20 JCED Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C1)CCC2 1839582329 BNKWOWMJGLGTGQ-QWPYIFRSSA-N 475.546 0.508 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)[S@@](=O)c1ccccc1 1839672758 UATZTDPAVOZMTO-RDFURFRKSA-N 490.626 0.921 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718664 HPAUQPANTRREKY-IBGZPJMESA-N 470.429 0.424 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(n3ccnc3)CCN(C(=O)OC(C)(C)C)C1)CCO2 1839742067 MUSXQOZAYCZNPS-BJKOFHAPSA-N 487.557 0.309 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](CCN(C)C)(Cc3ccccc3)C(=O)O)C2)C1 1839810159 HANJVBKLCAWVJM-DQEYMECFSA-N 471.554 0.341 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)C2)C1 1840040924 FOENLUOTPGVHIG-QHCPKHFHSA-N 455.442 0.979 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(F)F)cc3F)C2)C1 1840043408 WGTAXBNOIGEAKL-FQEVSTJZSA-N 456.373 0.585 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840055343 PTEOSPNBFDWGJA-AOMKIAJQSA-N 482.534 0.203 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2)c1cccs1 1840202697 FYJRUNZSGHOTTJ-GNAXCBTBSA-N 489.472 0.622 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c(C(F)(F)F)n1 1840357019 QJCKHHWMNPBPNG-FQEVSTJZSA-N 493.446 0.724 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cnccn1)CCO2 1840486634 OINKDFDNHYNTSQ-FDXJMQGCSA-N 459.503 0.475 30 20 JCED CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840583357 KLSAJXQOZWJBRR-KSMLXTPASA-N 466.579 0.845 30 20 JCED COC1(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CCC1 1840616724 KTNHZAFKFCDVSZ-CVUWTOEQSA-N 453.536 0.931 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)c1 1840713111 FFVWJGDQAKWOBT-GKVSMKOHSA-N 492.536 0.637 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CC(=O)N(C5CCCC5)C4)C3)C2)CCC1 1840812337 LUNRJQCOIXNCTM-MHECFPHRSA-N 458.559 0.928 30 20 JCED Cn1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)COc2ccccc2C#N)CCO3)cn1 1840819231 XJEFKQYWPQDSEE-DEOSSOPVSA-N 467.526 0.760 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840819838 INWZIQNPXHTNSH-QHCPKHFHSA-N 452.467 0.341 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840852270 JHJYVZNJAJHNQD-PGRDOPGGSA-N 451.568 0.029 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C(C)=O)C2)C1 1840907256 SJZSTFTUCSFMDY-KOSHJBKYSA-N 479.574 0.975 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2COCCN2C(=O)OC(C)(C)C)C1 1841750335 JPJVJTPSNOKGIP-ZPUOCTKUSA-N 462.547 0.684 30 20 JCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 9789490 AMLAJNFSNJRFTM-KRWDZBQOSA-N 451.501 0.987 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 25962380 LSAYFBZFHKHLHK-UHFFFAOYSA-N 460.468 0.166 30 20 JCED CCn1c(=O)c(=O)n(C[C@@H](O)COc2ccc(C#N)cc2)c2cc(S(=O)(=O)N(C)C)ccc21 31560918 RTYHIWZAFXDNHS-MRXNPFEDSA-N 472.523 0.745 30 20 JCED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(C#N)cn1 409745640 IPPRFXASCWBZLE-FQEVSTJZSA-N 471.539 1.367 30 20 JCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(CC(C)C)c1=O 514644933 GEWLNPIBYADRDG-UHFFFAOYSA-N 460.625 0.887 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccc(-n4cncn4)c(F)c3)c2=O)cn1 522387475 QBZHCVUFOIXHBU-UHFFFAOYSA-N 492.540 0.863 30 20 JCED C[C@@]1(c2ccc(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc2)NC(=O)NC1=O 523835932 ARUMCPMSAOWDBJ-NRFANRHFSA-N 455.496 0.863 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1-c1ccc(OC)nc1 524024260 WTYGDPVGCXBDKV-UHFFFAOYSA-N 493.545 0.527 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3)c(=O)n2-c2cnn(CC)c2)CC1 583334375 LLGUXIIGPLKQNA-UHFFFAOYSA-N 480.569 0.922 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC[C@H]3CCCO3)cc2)c1=O 590898099 LFSKVZHEHTZBQB-LJQANCHMSA-N 469.563 0.919 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 603794497 FXBSINAZKGIXFJ-UHFFFAOYSA-N 455.536 0.905 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)cc1 726304585 DCJDXQVWPJLUOT-PLRJNAJWSA-N 471.543 0.577 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)s1 729673089 DHVGZXNFFGWGRB-UHFFFAOYSA-N 465.622 0.886 30 20 JCED N#CC(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 730801573 AEVRNOMDOWBDGR-UHFFFAOYSA-N 458.471 0.910 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCN(Cc2ccccc2)CC1 749373721 NONPNTVGUHJVSF-UHFFFAOYSA-N 455.540 0.186 30 20 JCED COc1ccc(Cn2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn(C)c3)c2=O)cc1 837970973 KHHNHVWSOKFITQ-UHFFFAOYSA-N 451.552 0.975 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2cc(O)n3ncc(C(=O)OCC)c3n2)c1 919021238 YILOVYXNJBMFMV-UHFFFAOYSA-N 458.452 0.880 30 20 JCED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 919397632 OVKCNSOMQHSBGJ-JTQLQIEISA-N 464.281 0.836 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1287787326 MUKZEWLGSGGSME-WFXMLNOXSA-N 499.613 0.410 30 20 JCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1315043258 NVMHXJLCNBRCPE-IBGZPJMESA-N 489.602 0.830 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC(=O)N(C)C)CC2)c1C#N 1492727197 KQZZIJJCGCCCRD-UHFFFAOYSA-N 456.555 0.135 30 20 JCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1513919169 XVRHRIXPQCNNEL-UHFFFAOYSA-N 483.602 0.971 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)c1 1729342965 VQESPPVYZNKOTL-INIZCTEOSA-N 494.599 0.501 30 20 JCED CNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729723699 IZBIJZXBYLLNDE-UHFFFAOYSA-N 479.570 0.999 30 20 JCED CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1767674879 SUHHZWNYQIMHOW-GOSISDBHSA-N 467.530 0.550 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2)C1 1778975428 ZQFLNUOCYLBKNV-WOGXIUBCSA-N 497.589 0.846 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1779103165 NPTXFUFECVACOY-FAKCTINISA-N 475.527 0.729 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779200936 RHDJWMZUISWPNN-LXSUBRDJSA-N 470.523 0.094 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780330723 FLPZURXIQIUVNJ-FDDCHVKYSA-N 471.514 0.908 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781310745 SJEUSZDOQILPQA-CJFMBICVSA-N 498.584 0.527 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)cc(C(F)(F)F)c1 1782034223 PTVAEJKRIWQORP-JXFKEZNVSA-N 467.448 0.613 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCNC(=O)C2)C1 1782275168 AAMXGLZLBARCNV-PLGVSFSBSA-N 490.601 0.943 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783180161 SSEDCYKBGSWBHX-JMZPTIHBSA-N 464.563 0.810 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784915547 XJRHCAOEKBJOED-LAENMPIVSA-N 483.415 0.850 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785349634 IAJVRJKMUCNNJK-KBMIEXCESA-N 494.633 0.942 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)c1 1785376746 ZPSQARMBLOPNGZ-QHCPKHFHSA-N 484.534 0.879 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786705143 HWCSORVZNCRVSN-FJIDUMEYSA-N 494.593 0.612 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)[C@H]2C1 1786790996 YWLFQPZYUJCXNE-OKYOBFRVSA-N 492.621 0.536 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(n3)OCCO4)[C@H]2C1 1787383459 UEZVJVIHHASMHG-BXWFABGCSA-N 459.499 0.956 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCCNC5=O)C[C@@H]32)c1 1789509248 JDEYRYQNQAXWJA-WFXMLNOXSA-N 462.510 0.795 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791077721 GLEXYVYMRLBUNS-DFQYRXGOSA-N 475.542 0.701 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21)c1ccc(O)cc1 1791335004 LWKVRCAFRABYNW-DIZVHYTASA-N 455.511 0.977 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C(/C)C(=O)O)C[C@@H]21 1792258793 QIRRFLSNCISBNI-DTGPFZNUSA-N 463.531 0.914 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(-c2cccc(F)c2)n1 1794287639 RXKUNLRIIWOCHF-IBRLJDPESA-N 468.489 0.468 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)nc2O)C3)c(C(F)(F)F)n1 1795994337 CAKCGOPDLYURBQ-WDAIWFPHSA-N 478.387 0.690 30 20 JCED Cn1c(=O)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)c2ccccc21 1797838018 PNDIURWYGWUIOL-IWYTYRTKSA-N 465.510 0.642 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1799322210 CFBLXKKEHQWFHT-BMQTXXJKSA-N 489.573 0.692 30 20 JCED CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(C#N)ccc3F)CC2)CC1 1799747722 VMOVQMVTEWAIAJ-RMFSNUHRSA-N 455.534 0.681 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884522 YRIZUZZXYNJNMV-FRQROOTJSA-N 453.503 0.345 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)C[C@@H]2C1 1800778712 DDLRDNJYOSNBHA-FVSFCRNKSA-N 461.515 0.311 30 20 JCED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1803449931 GKUXDICQZPBSMG-KKSFZXQISA-N 453.524 0.966 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1803503179 RLNPWPJBPYSSJZ-PSBWJHGTSA-N 450.561 0.454 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccccc2C(=O)OCCO)[C@H]1c1cccnc1 1811399068 ZLUZTPBHQCFTGT-HTAPYJJXSA-N 465.462 0.638 30 20 JCED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1814013953 FWSULHSVLUBCAD-ZDUSSCGKSA-N 460.479 0.547 30 20 JCED COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)Cn4cnnn4)sc3C2)c(C#N)c1 1815685603 IKEIIUXMNQJPAS-AWEZNQCLSA-N 452.500 0.865 30 20 JCED CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1)C(=O)O 1819899777 ZFQOUHLLOOPQDZ-OGNGVLKASA-N 453.521 0.647 30 20 JCED O=C(CN(CCO)CCO)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828979052 RFDRPAGDECXTMI-DQZIINAFSA-N 468.595 0.422 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1829267441 PKFHKCREPOVDDG-MBSDFSHPSA-N 450.499 0.924 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)cc1 1829632163 SDUZIHBDNCKILG-XMMPIXPASA-N 470.526 0.790 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1830053260 JPWKHJZSHQSQEW-FQEVSTJZSA-N 450.517 0.105 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456044 CPORJQVTQQBIMR-MHECFPHRSA-N 456.543 0.862 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1830885304 BDFSJMXUFXFZBK-GAJHUEQPSA-N 480.562 0.412 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1833563765 AHWLBNUUSXONIC-HSZRJFAPSA-N 495.598 0.679 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCN(C)CC4)C3)C2)c(O)n1 1833700448 YECIOFRTHCJBAD-VWLOTQADSA-N 487.601 0.223 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ocnc3C)CCO2)C1 1834371591 ICOVBFLYIBRINN-HXOBKFHXSA-N 476.530 0.970 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CSCC(=O)O)CC2)CC1 1834715717 IUOKGVBIKDWMMN-UHFFFAOYSA-N 453.609 0.658 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1835675325 NSAIFPFNTSSPRB-NRFANRHFSA-N 451.474 0.712 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1835676975 GSQQHVLMHCQBQQ-QHCPKHFHSA-N 454.531 0.915 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1835678056 WJCCGEDEVIXVDP-QFIPXVFZSA-N 455.519 0.081 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cn4[nH]cnc(=O)c4c3C)CC2)CC1 1836089720 GFQDWLKSXLKAAT-KRWDZBQOSA-N 468.558 0.555 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1836378702 WYTVLKBVEIBFCL-HSZRJFAPSA-N 495.598 0.679 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1836484389 VBWQPWYLKZWIDN-UTKZUKDTSA-N 463.922 0.729 30 20 JCED COCCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1836551136 IFVWTYYIMFQZEM-OEEWFINQSA-N 479.534 0.129 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2)c1ccc(O)cc1 1836676334 IBJZCBNUNADFEW-YIXXDRMTSA-N 498.624 0.593 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)COC(=O)C(F)(F)F)CCO4)C3)c2c1 1837319797 HWWRVJAVWQXPTA-HXUWFJFHSA-N 495.414 0.610 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3CNc4ccccc4O3)CCO2)C1 1837351628 SMLFJQPUBAVBIK-KBMIEXCESA-N 485.585 0.988 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837384559 BJVIEUHULTZTBX-UZUQRXQVSA-N 457.531 0.644 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c(O)c1OC 1837446346 JDHVVZZBPLMQBY-FYWXSZBBSA-N 490.557 0.951 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837467181 DQGUMUDIUVHRFT-QFIPXVFZSA-N 459.572 0.421 30 20 JCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1837495699 AAGKVHPJANTAPY-NFBKMPQASA-N 466.531 0.706 30 20 JCED Cc1nnsc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837528368 HZVFOUSAZQBTJK-MPNBXSRTSA-N 453.521 0.446 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837762135 KBRKKWYZFJPKQX-RUZDIDTESA-N 495.536 0.946 30 20 JCED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)N4CCOCC4)CC3)CC2)ccc1F 1838405225 ZSFNZHWUPWNCDQ-RUZDIDTESA-N 488.560 0.889 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCCC3)c(F)c1)CCO2 1838561731 RQHXYUGKUNXCLB-HSZRJFAPSA-N 459.474 0.584 30 20 JCED CC(C)n1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1C(=O)O 1838732435 QSMDOYMBIHRFDY-QFIPXVFZSA-N 470.486 0.746 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c2ccccc21 1838737340 PTGWFSUDKZCIQA-DEOSSOPVSA-N 478.509 0.310 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nn[nH]c2C(F)(F)F)CCO3)c1 1838766056 QESSKYOYPXSOOG-KRWDZBQOSA-N 453.381 0.407 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)N1CCN(C)CC1 1839100558 CPLCEFOQUHCUDT-QFQXNSOFSA-N 483.613 0.583 30 20 JCED COc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)ccc1[N+](=O)[O-] 1839137344 OGRDFPOCEZRWKK-JOCHJYFZSA-N 458.471 0.906 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839208127 XJWFREAKEZTFFL-SFHVURJKSA-N 459.337 0.880 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)c(O)cc3O)CCO2)C1 1839251345 QXVBVXHLJZIAGL-SZNDQCEHSA-N 452.891 0.860 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839380320 DBBVDTUKCREBFD-GBXCKJPGSA-N 469.542 0.910 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1839389092 VQFGPUWWWMODNK-YUZACMFVSA-N 461.515 0.804 30 20 JCED Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn1 1839487492 LJQDHIVGWSMZJL-HSZRJFAPSA-N 461.482 0.917 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839517269 SGPXFZNMWJNSBM-QFIPXVFZSA-N 460.535 0.017 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NOC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2)C1 1839810755 PWVNSUVTMJXJMP-XMMPIXPASA-N 490.557 0.622 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1)C(F)(F)F 1839894633 JGOWLHJJZQVEJL-APWZRJJASA-N 473.452 0.032 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840017997 PILYHGGMHQOSQD-ZKCPLKSISA-N 491.585 0.594 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)CCO2 1840045838 DFVSRGOTLQRANB-KHCICDEESA-N 479.574 0.881 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1)c1ccc(O)cc1 1840219907 MENQWWTZSNZSLJ-PIBDYAPNSA-N 487.553 0.408 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)CCC1 1840813684 OKAQIBKZUGPUPB-XMMPIXPASA-N 465.510 0.930 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1840909251 PHNNPDCAMZVRJF-MBSDFSHPSA-N 475.546 0.256 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C1 1841301178 FDNPTMZFTVWWLM-IAGOWNOFSA-N 494.589 0.992 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2)C(C)(C)S 1846301037 NESNWDZLCJTGGF-OAHLLOKOSA-N 483.591 0.343 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 26908468 BXQRLEIUUUAECV-UHFFFAOYSA-N 492.579 0.829 30 20 JCED CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726404416 XLAPVMYHFDXUJC-JOGXUEJDSA-N 489.579 0.909 30 20 JCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 727773812 ZLGYSMNCDMSOBD-UHFFFAOYSA-N 468.514 0.303 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 728536174 NDUFHQVEBQOKNA-SFHVURJKSA-N 459.572 0.033 30 20 JCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 728573078 JZCVNWRKNMWNMW-LJQANCHMSA-N 475.615 0.555 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 730664793 XBQKHPQWFSUYCC-HEHNFIMWSA-N 489.645 1.000 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCS(C)(=O)=O 731204299 GABHOHCKXZIBHN-UHFFFAOYSA-N 461.609 0.991 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 749504297 OMCLBBNBEAXGEG-UHFFFAOYSA-N 466.519 0.598 30 20 JCED COCCCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 843472721 AQJQGFPBFLHAQI-HNNXBMFYSA-N 457.574 0.558 30 20 JCED N#Cc1ccc(NCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nc1 916521388 DZBIDEROXAZTQL-UHFFFAOYSA-N 459.488 0.989 30 20 JCED COc1cc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)ccc1C#N 1180453389 ZEPARWROISMNFL-UHFFFAOYSA-N 450.542 0.721 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286628164 YVGJHHWKIBIIDM-GJZGRUSLSA-N 458.972 0.613 30 20 JCED Cc1nccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1492707552 ZPFSWVZYOZUDNW-CRAIPNDOSA-N 461.596 0.660 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCSC2)C1 1505141848 YBBMURVVYLQSHH-APWZRJJASA-N 470.621 0.609 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCN1S(C)(=O)=O 1520817658 ZIKOMVSLBYMKPD-INIZCTEOSA-N 487.586 0.725 30 20 JCED CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1618476427 XALVATHSURHSGI-LJQANCHMSA-N 471.587 0.604 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1618816251 WXFKNGZWKGGNHF-UHFFFAOYSA-N 475.575 0.725 30 20 JCED CS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1620167044 RCLCPEPEKLMYLN-OAHLLOKOSA-N 463.589 0.491 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 1631739090 VIOAHJTYNSRLMK-GOEBONIOSA-N 452.533 0.977 30 20 JCED COc1ccc(Br)cc1C[C@H](CO)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1640777116 YDEGCLSISCXTRM-NSHDSACASA-N 451.277 0.559 30 20 JCED CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1644996994 SSVYHXAEWNRHSV-FGZHOGPDSA-N 456.566 0.773 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 1677310086 MUNYPVWIQBBOOA-OAHLLOKOSA-N 459.450 0.737 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1705689138 YZPXATYRRPTPQW-KGLIPLIRSA-N 489.396 0.331 30 20 JCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C1 1710348078 VFXGOTIZDDCABK-QGZVFWFLSA-N 478.600 0.912 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCC(F)(F)C2)C1 1712706420 LKABCRGKTSUDFW-ILXRZTDVSA-N 460.507 0.775 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778939599 KJBBCVPSJGHLCR-IVZQSRNASA-N 463.535 0.552 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C)CCO2 1779288213 NKPZHXPWALVELQ-HZCFWTAGSA-N 476.574 0.976 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1779332840 RRTDEGYCMPLCMY-WJONJSRFSA-N 458.519 0.118 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nn(C)c(C)c3Br)C2)C1 1780364587 WFTAQSGBZSHYAN-LIRRHRJNSA-N 453.337 0.973 30 20 JCED N#Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CN)C3)cc(C(F)(F)F)c1 1781137411 PEDAUVONLUNQHA-SQGPQFPESA-N 453.465 0.991 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1781165150 BXQQRPZBCYYGBO-GAJHUEQPSA-N 464.563 0.779 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CN(C)C1)C2 1783268198 CWRRIXSQQULPPN-XLNZFTOWSA-N 462.591 0.979 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783458256 LAOGHMYBGMGKBS-FCHUYYIVSA-N 467.494 0.644 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CCO[C@]4(CCN(C(=O)[C@H](C)S)C4)C3)c2n1 1783894251 IUQQGRCGAGFOLM-YEJXKQKISA-N 491.574 0.275 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(=O)(=O)c3ccccc3)C[C@@H]21 1784479487 CWYRRDGLDXVZSR-QIJZPMMNSA-N 462.568 0.868 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(C)=O)CC3)C[C@@H]21 1784494917 MEYAZLWLWRDSPN-ACRUOGEOSA-N 450.580 0.113 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1)c1ccc(O)cc1 1784601541 RUOZKSLFZPHUAA-LTMIRXACSA-N 452.515 0.967 30 20 JCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ncn5nc(N6CCOCC6)ccc45)C[C@@H]32)CC1 1786694520 LFIVVXKRJDRHMI-LNLFQRSKSA-N 479.541 0.463 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1788658310 OHHUWACXYTYEHR-HPVHJZNYSA-N 462.503 0.518 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(O)n4c3CCCC4)[C@H]2C1 1788788959 OQBYRYYMRXFZPB-LZPLBESISA-N 457.531 0.377 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21 1789841000 YQJSREMEKJJWHZ-OKYOBFRVSA-N 478.590 0.928 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1789892415 XWQGTTSDKOWBSR-KNJMJIDISA-N 461.559 0.877 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]3C2)ccc1F 1791312798 XQBSUWFRJUFLGB-QRTARXTBSA-N 470.423 0.898 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1792454063 ZXXYQVYHERNOHK-PFHJDOJBSA-N 457.593 0.512 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)C2 1792484847 XMBKPTFZMBWWKZ-JINAQJPASA-N 487.553 0.703 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](S)C(C)C 1793389483 VPFJGGZKZRFTMM-BQJWPVKWSA-N 487.619 0.987 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1793599866 HYXWXJJAHYUQHQ-QTSPYONBSA-N 483.562 0.661 30 20 JCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCNC3=O)cc1 1794970232 BDCYQXWDKHUIAO-OPMZPASUSA-N 462.510 0.334 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C 1795185289 RKLCAGRJEFXVCB-AJYBTWMASA-N 450.580 0.834 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795277840 OYOOLYUQBVFTLH-SRYPRDQNSA-N 471.554 0.903 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2)c1n[nH]c2c1CS(=O)(=O)C2 1795930694 DXUCCVLATNCOAI-YVWYUNDQSA-N 488.953 0.746 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1797707497 OUVNYXLBBUBXAK-QXGSTGNESA-N 465.572 0.403 30 20 JCED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)C(=O)OC(C)(C)C 1797812008 WWXBUZVPXVMPDS-OYGISIJKSA-N 468.551 0.972 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccc(O)nn2)c(C(F)(F)F)n1 1800205123 PQFJTEQROSGSLP-KSPBDQMDSA-N 492.414 0.750 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccnn1 1800264134 UZVVKVHXLIQMAV-UYTYNIKBSA-N 462.551 0.898 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800779186 XWNMMPCUGCQQQJ-RPXQCPFCSA-N 461.515 0.311 30 20 JCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1ccco1 1800781242 RJTXRDDBTCIHRN-DXEZIKHYSA-N 475.498 0.913 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1800823176 AXMCIDJCLSDKOC-JMCXLBPQSA-N 462.547 0.762 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801443238 AEMFLODWQAFGKF-LLSXFLKSSA-N 490.630 0.276 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1cccc(F)c1)NC(C)=O 1802040836 MVWKIIXYDCVMIB-MHZVGDEQSA-N 459.518 0.501 30 20 JCED CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802092982 YMSKANOBIXJILD-RDGPPVDQSA-N 492.573 0.912 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)N1CCOCC1)C2 1804376724 NUHMRNZVUVUDPE-NAIAOIPJSA-N 464.563 0.192 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CNC(=O)c3cccnc3)CC2)C1 1804850661 FHRGZLRZPAVEAE-SREVYHEPSA-N 453.543 0.901 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812391403 XLJGPMDVXRTPFI-AYJZPEGVSA-N 475.502 0.159 30 20 JCED CN1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=N/O[C@H]4CCCCO4)sc3C2)CC1 1819902984 WDUDTMACXOPNGE-GTMGXZALSA-N 464.592 0.832 30 20 JCED COCCOCCOCCOCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1822264752 JFZADBPVZJIADN-QGZVFWFLSA-N 466.491 0.186 30 20 JCED COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H]4C[C@H](O)CN4)sc3C2)c(C#N)c1 1822616450 RKQDJVONBFMJNN-MPGHIAIKSA-N 455.540 0.901 30 20 JCED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829309730 JDNICFRSIYZPBS-NTKDMRAZSA-N 467.526 0.878 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1829334672 KTOHKSXBFBBSBF-VWLOTQADSA-N 492.488 0.941 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334798 OAIUPSWVWPPFLP-YNSXNBMNSA-N 496.520 0.566 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCN2C(=O)OCc1ccccc1 1829429383 AFNUNGOKXMVZBG-SNGUERLCSA-N 481.505 0.419 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccnc3OC)C2)C1 1829763811 CDELQIKRHIEPGA-QZOBCFMQSA-N 472.542 0.338 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cc3C(F)(F)F)C2)C1 1829766403 WUKMLGFVRJRTNB-NYPGBQQYSA-N 484.475 0.972 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C(=O)OC(C)(C)C)C3CC3)CCO2)C1 1830066408 WZASTIRQAODAAG-HOYKHHGWSA-N 479.574 0.881 30 20 JCED COc1ccc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(OC)c1OC 1830888652 YNOYPXLSHBZNDK-SXBBHYFQSA-N 488.493 0.270 30 20 JCED CN(CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)CC1)C(=O)C(=O)O 1831166045 XZBZVAAOGVNRIG-PNYYXPLCSA-N 466.535 0.678 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ccc(OC)nc34)C2)C1 1831396921 MMELYLWORVZVOD-WAIKUNEKSA-N 456.499 0.680 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)cc(OC)c3F)C2)C1 1831397653 VADSYKZOALWQBQ-QMHKHESXSA-N 464.490 0.951 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1831425622 BLVAAVUFMWGBOW-OPAMFIHVSA-N 476.555 0.726 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1831997545 BYSLBULRPBXVPC-GAJHUEQPSA-N 493.561 0.846 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832748828 AORWOFPEBLSQON-CYFREDJKSA-N 471.579 0.966 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc(OC)n1)CCO2 1832819683 OHYXEIPOCDBXGR-SINIUOCSSA-N 472.542 0.338 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833027319 JKNHZBVWPHQXLG-IIBYNOLFSA-N 451.545 0.525 30 20 JCED CC(C)(C)OC(=O)NCC1(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)CC1 1833101898 IIUWMACDNNDBMI-UHFFFAOYSA-N 476.574 0.951 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833618076 TXDIHYGFSNZPOT-FDDCHVKYSA-N 455.515 0.928 30 20 JCED Cc1nn2cc(CC(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)nc2s1 1833630266 MOJCSWYBDGYNEX-UHFFFAOYSA-N 458.544 0.301 30 20 JCED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834773835 CKRUEICJFQZZES-MXGCRNEKSA-N 453.492 0.091 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1835103837 JCUHBHLNNHOIBT-QFIPXVFZSA-N 473.576 0.355 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(F)c1)CCO2 1835139544 NNUZWYJVMFOUEA-UZQCKINESA-N 463.481 0.822 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835352434 ZMNZRYYKWATKLJ-HTAPYJJXSA-N 464.519 0.325 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1)c1ccccc1 1835560592 MOGXIPDDNQRBMB-STWLZBDKSA-N 470.570 0.233 30 20 JCED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675521 UJASZEQFUFBXRO-ATIYNZHBSA-N 483.613 0.781 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccnc4c3OCO4)CC2)CC1 1836092187 KNUALTUBBIRQHX-ARJAWSKDSA-N 469.542 0.854 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169359 ONOPGIROFRKKDX-OAQYLSRUSA-N 473.530 0.566 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C[C@@H](F)C1 1836621852 MRBNOAXXXSFDSG-MFEFFIJZSA-N 497.520 0.126 30 20 JCED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C(C)C 1837227515 UHDDLMWBCKWSGW-LADGPHEKSA-N 473.526 0.981 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1837440872 CRQHXHOGAAVHSW-NWBNNPRYSA-N 462.526 0.968 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1837446279 GDXSLTIVWVCDAM-HBAGGBEISA-N 454.531 0.876 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837491520 OXHKDMFPJYKNAL-RUZDIDTESA-N 485.537 0.637 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837728139 URWQJOKKPHUQAM-URXFXBBRSA-N 472.542 0.098 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838798653 CABVSVSZVZHRBM-HXOBKFHXSA-N 494.545 0.706 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c(O)c1 1838888511 CPXKJWUDKVFHDA-HEXBWUFUSA-N 477.514 1.000 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)cc1 1838953252 VSEGTYAEUIXPBT-HSZRJFAPSA-N 451.483 0.757 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1839174057 CJZGUPPNJWTDGL-QHCPKHFHSA-N 474.514 0.619 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839185422 YUXFTQRQYSYJKV-UZUQRXQVSA-N 482.578 0.391 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839220049 TZWFTWCZVKAYEJ-HSZRJFAPSA-N 485.578 0.079 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)C2)C1 1839811146 JMPJVBKEVNSUGW-REWPJTCUSA-N 475.567 0.238 30 20 JCED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840199391 YUCZVTHMVLGLAP-AVRDEDQJSA-N 454.589 0.255 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881609 ZHJQFDQGMUQBHY-COIATFDQSA-N 490.509 0.782 30 20 JCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c(C(F)(F)F)n1 1843168831 XYLLCTVVSHPTCU-LBPRGKRZSA-N 450.377 0.387 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843348061 FJEOUCFSTUGOMJ-RBUKOAKNSA-N 470.574 0.483 30 20 JCED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844302953 XWZBDEFYCZZBKF-CPOKCXMASA-N 471.551 0.415 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O)NC(=O)OC(C)(C)C 1848033764 QZHKYEOTAGGZBT-PMPSAXMXSA-N 463.535 0.600 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1=O 23844853 IGQBIQUGLVEQNN-UHFFFAOYSA-N 455.515 0.090 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 25962420 CXPHVXCEJGYUJX-UHFFFAOYSA-N 460.468 0.166 30 20 JCED Cn1c(=O)c2ccc(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)nc2n(C)c1=O 106081972 VOFOXTDEEYXYJU-UHFFFAOYSA-N 458.482 0.634 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 500492832 BRZDZIKAZHJTDY-UHFFFAOYSA-N 492.579 0.866 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)cc1 502055080 STXGPPLAWZYIFX-ZDUSSCGKSA-N 457.943 0.940 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2Br)c1=O 523743661 AGRYHXJHODRELX-UHFFFAOYSA-N 480.384 0.974 30 20 JCED C=CCN(C(=O)CSCC(=O)N(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 533811258 ACGNJSLJYXROPU-HZPDHXFCSA-N 464.631 0.123 30 20 JCED C[C@@H](c1cccs1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccn2)c1=O 579499074 YVJSJKHEJVLYJT-KRWDZBQOSA-N 495.630 0.927 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 603586535 RZIJBVDPUCCYCW-HXUWFJFHSA-N 455.540 0.863 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3c2OCCCO3)c1=O 603986629 FOKGXXFLZHJOMB-UHFFFAOYSA-N 487.578 0.763 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 618433627 NCYRSBCOGUKYRW-UHFFFAOYSA-N 495.582 0.787 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)Cc2ccccc2Br)C1=O 726043975 XJYCNFVUQJOSMK-UHFFFAOYSA-N 452.261 0.928 30 20 JCED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)c2)c1 748113925 NKSLMIVMZDHNTL-UHFFFAOYSA-N 472.523 0.854 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 857836140 LIUHREALPUJHKB-LSDHHAIUSA-N 493.563 0.668 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 918603695 CJBPESNSLKYVMD-GOSISDBHSA-N 489.598 0.433 30 20 JCED CNC(=O)[C@@H](NC(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 918819548 WBEMJFHPACGHCS-FQEVSTJZSA-N 472.523 0.652 30 20 JCED COCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1316071576 LYCOTCAUUZEHIY-XLIONFOSSA-N 469.612 0.319 30 20 JCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)F)CCO1 1505322226 KMJGDQDOGMLXNW-LSDHHAIUSA-N 468.486 0.996 30 20 JCED CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)C1 1540960933 SPUQVIDEQHUSKD-LJQANCHMSA-N 489.602 0.973 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N1CCOCC1 1606966993 VVTSLCFAORLJPB-GOSISDBHSA-N 497.622 0.236 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1 1611308381 OUNKMYVBXPBUHU-GJZGRUSLSA-N 476.650 0.297 30 20 JCED CCc1nn(C)c(OC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1709015120 OUVQSBUAWYWMLH-KZULUSFZSA-N 454.532 0.683 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)F)CC1 1749104291 PICWWGBBWUPHHX-CYBMUJFWSA-N 499.382 0.907 30 20 JCED C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1749243045 ZFKAJIWPBBCNAQ-QFBILLFUSA-N 462.576 0.943 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCCC2)C1 1770350561 NLPGHBYZHNJRBW-ZWKOTPCHSA-N 495.606 0.132 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778939605 KJBBCVPSJGHLCR-QRQCRPRQSA-N 463.535 0.552 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)CCO2)C1 1778969815 SRSIMLRLEYGLDA-CLOONOSVSA-N 483.569 0.896 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779072355 IRYKEKAZKLHBGZ-WMZHIEFXSA-N 483.481 0.373 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1781292178 UKSVAMURYPGXOZ-IERDGZPVSA-N 473.592 0.720 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781299214 ILVVIEOKUBNDHW-WMZHIEFXSA-N 476.505 0.913 30 20 JCED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc(C)c(O)nc1=O)C2)C(F)(F)F 1781808587 YESXTALHEPCEKW-AUUYWEPGSA-N 458.437 0.890 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783168179 ZKQYQGWSGSAGLA-WJONJSRFSA-N 450.536 0.422 30 20 JCED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1783275885 AWXWAEGSFZZLHZ-YGKZAACZSA-N 464.563 0.682 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1784373772 ZOOJRFRLEOIYMM-QPPBQGQZSA-N 464.526 0.781 30 20 JCED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1784386024 AEXQEOBKEGPGQD-WDSOQIARSA-N 451.483 0.685 30 20 JCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787496824 WSIWNAKDWGCKOO-OBUPLIBYSA-N 454.552 0.820 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)CC1 1788111909 ZTPVNUTWUIHWFB-LNLFQRSKSA-N 463.560 0.151 30 20 JCED CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(C#N)cc5)C[C@@H]43)CC2)CC1 1789807170 VVSXODPDGWVSTA-FKBYEOEOSA-N 451.571 0.932 30 20 JCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C[C@@H]32)c1 1790224602 UBRUFUVSVCNYRV-RFUYNDQBSA-N 487.513 0.756 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3C(=O)N(Cc3cccs3)CC4)[C@H]2C1 1790521979 JHVIHRAEPINNAP-SNRMKQJTSA-N 467.551 0.827 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN)C[C@@H]21 1792278868 GNHFYIUPJPGAFV-BURNTYAHSA-N 485.585 0.932 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792777397 JVAQCBSYZAFGBM-UNLOAFCFSA-N 463.600 0.710 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1793353383 CQHREJWAPPMBKB-BOQPXBONSA-N 481.590 0.785 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(C)=O)[nH]n1 1794561545 JTZNGNSSWRTXSC-RCJHGTSTSA-N 473.530 0.732 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccccc2)[C@@H](O)C1 1795277815 NCQIZCWZRKECCD-FLQYYVGBSA-N 483.565 0.856 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1795583216 NNXZPZZZIXJGFH-XMTFNYHQSA-N 480.610 0.100 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1 1797609146 SPTNQOYWQMZNGF-RYTTYMKHSA-N 476.574 0.880 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)C2 1797704926 VWBXGWCOSARSNB-XJEPWFOTSA-N 493.626 0.825 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC)NC(=O)OC(C)(C)C 1797761014 YIQXNXNAZXUDAX-AXVVYFOYSA-N 497.662 0.920 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnncc2C(=O)O)c(O)n1 1798098148 WRAFLLHPLDZMJV-HBCWATKFSA-N 467.482 0.911 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1799365315 PKCICJQUQAUREL-UXDQUXDASA-N 459.609 0.806 30 20 JCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccc(O)nn2)c1Cl 1800207233 GUOSHLDVQQGDPX-VTEUUUEMSA-N 457.874 0.989 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(C(F)(F)F)ccn13)C2 1800778697 CIVVHXREYZYQGV-KSPBDQMDSA-N 450.373 0.644 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1800981998 UQAYXPQLNXFTHA-KDUVFMBJSA-N 477.649 0.556 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807148301 XEMNQZDPNBBEQY-KZNAEPCWSA-N 460.535 0.434 30 20 JCED N#CC1(C(=O)N2CC[C@H](CNC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[C@@H]2c2cccnc2)CC1 1812443443 OAPZBUVUIYAWIZ-RMJJICAUSA-N 496.593 0.571 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819776812 NQOCDPBZTGHFLB-DSLDXNQUSA-N 452.537 0.591 30 20 JCED COCCOCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828909742 MRFMQUBHRNYJMN-DEOSSOPVSA-N 487.509 0.190 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)C1 1829762852 UCONDGVDTQXCOD-FURZLZPVSA-N 482.537 0.494 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1829765284 RRICNXHLMABIEK-XBKFQHLESA-N 480.562 0.168 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CNc4ccccc4O3)C2)C1 1831397431 YAPMAPWNGBUYOL-KHCICDEESA-N 457.527 0.744 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1831398744 KFINOBFBFMEYMG-FDDCHVKYSA-N 453.499 0.376 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1831997640 DRWHOYJYWDRVST-WCJKSRRJSA-N 482.534 0.021 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)cc1 1833315533 SIAVHTDENFDLAQ-DEOSSOPVSA-N 463.494 0.630 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833877432 CSSCRMZFISYGLU-AOMKIAJQSA-N 478.550 0.355 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(N4CCOCC4)cn3)CC2)CC1 1834002937 OXRVOFWOXWFUIG-UHFFFAOYSA-N 469.542 0.191 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)[C@H](O)C1 1835356588 DXOIAHGKMJKVBQ-PUZWTLIVSA-N 494.589 0.755 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)cc(C(F)(F)F)c1 1835399193 YSUPBTXTZFCAAD-JOCHJYFZSA-N 496.486 0.979 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835510704 ASKVKPIHPKEEGH-QFIPXVFZSA-N 477.650 0.295 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCO2 1835539509 NWDBQKPPACJKQI-FQEVSTJZSA-N 489.582 0.219 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1835645058 PLGKTDVIZDDLGF-KXBFYZLASA-N 455.556 0.423 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1835677918 QANNMCXFXQEYDT-HSZRJFAPSA-N 454.531 0.686 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc([C@H](C)C#N)c4)C3)C2)CC1 1836768819 DLTSXMJMTXRSJS-IBVKSMDESA-N 497.596 0.548 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc6n(n5)CCCO6)CCO4)C3)c2c1 1836972358 XHWGXMFRMODGIV-DEOSSOPVSA-N 491.508 0.797 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1837076634 AROVXDSBLOXZNC-UHFFFAOYSA-N 464.519 0.046 30 20 JCED C=C(C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1)C(F)(F)F 1837078603 FFVMIWSNUCZRIP-UHFFFAOYSA-N 481.537 0.834 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1837308940 DYEIJSZBTUNHOF-QTEQDKRBSA-N 466.531 0.706 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2)C(F)(F)F 1837502677 MGVWWHRSXGGAHX-CRAIPNDOSA-N 466.409 0.056 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837633133 FUCCWPOSNFEJMY-PGOAABDTSA-N 465.572 0.863 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Br)cn3)CCO2)C1 1837826134 FOEDYFXAGHZYIM-YWZLYKJASA-N 466.332 0.952 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1838077337 HOSDWFVKAFZHQN-OALUTQOASA-N 465.595 0.188 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(-c4ccccc4)n3)CCO2)C1 1838743021 XTWZJNJUCXIDET-DVECYGJZSA-N 452.511 0.981 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)Nc3ccc(F)cc3)CCO2)C1 1839029690 ZBUQUNVSJRMSKV-DEOSSOPVSA-N 489.548 0.893 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)[C@@H](O)C1 1839108070 APAIOFJVOWNZLU-QQMNAOGKSA-N 480.562 0.220 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1839173649 DJSVPYSTCYDBPV-QFIPXVFZSA-N 464.519 0.109 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1839175784 FZYMVUNTGUWLTE-GAJHUEQPSA-N 460.531 0.480 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c([N+](=O)[O-])c1 1839233327 AUDPUYDJARPANI-JLTOFOAXSA-N 453.517 0.921 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CN5CCCC5)C4)C3)c2c1 1839486000 HTFJQBZMDLNRFZ-HSZRJFAPSA-N 452.515 0.600 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)NC(C)=O)CCO3)c(C#N)c1 1839878666 DHRZJKMVPYGJEX-MWTRTKDXSA-N 458.515 0.090 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1839889889 VFDJBWYZXUTCOP-HXUWFJFHSA-N 484.525 0.559 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)CO2)C1 1840009099 WYDKWUZXPMGXQE-UZUQRXQVSA-N 478.546 0.382 30 20 JCED CC(=O)N[C@@](C)(C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1)c1ccccc1F 1840162790 HQGYKEJVFDMLMM-ARBPTSGCSA-N 467.563 0.952 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)c1 1840180471 RJXUCFUKZKBJNW-DHIUTWEWSA-N 475.498 0.253 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1)c1ccc(O)cc1 1840219639 WPCQLULLXIIBSX-CPJSRVTESA-N 485.537 0.798 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)c1ccc(O)cc1 1840220271 GIGOCYSUNVQZQF-WZOHSFFVSA-N 469.538 0.482 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840783032 QBBHQELURVMRBK-XRTQSOMPSA-N 479.505 0.917 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1)NC(=O)OC(C)(C)C 1840795622 STCNIDYJCCYISM-BSRJHKFKSA-N 468.595 0.897 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3conc3C)C2)C1 1840906501 DBWQILWMTJZXTC-WZONZLPQSA-N 476.530 0.970 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1841748203 ILGNSFSFMPXGNX-AWEZNQCLSA-N 452.508 0.202 30 20 JCED N#CCCC(=O)N1CCCC12CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1842813591 DRADGEKEZTWIAU-UHFFFAOYSA-N 454.512 0.785 30 20 JCED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CN2CC(=O)NC2=O)C3)ccc1Br 1845457881 POBUIKPIWQDFDL-UHFFFAOYSA-N 460.288 0.690 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1847102707 NBLWWJULVSABTK-PCCBWWKXSA-N 497.596 0.920 30 20 JCED COc1ccc(CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1S(=O)(=O)N1CCOCC1 8853637 ACUAMYJNJJNIDW-NRFANRHFSA-N 467.544 0.856 30 20 JCED COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 19420150 LQQNYYMVMKKPQJ-DHIUTWEWSA-N 454.483 0.964 30 20 JCED CS(=O)(=O)N1CCN(CCNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 115835166 IJOLGPKWEBSSCV-UHFFFAOYSA-N 476.559 0.716 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C1CCN(C)CC1 516828398 IFQBZWBANQDFDI-UHFFFAOYSA-N 498.605 0.619 30 20 JCED N#Cc1c(CCCNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)nn(-c2ccc(F)cc2)c1N 521175905 DSBAWRKVUFGVKK-QGZVFWFLSA-N 483.548 0.695 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 603741365 RMZRTHKGCVXMBI-UHFFFAOYSA-N 476.536 0.232 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)ccc1SC 604499168 MLIUCONOSPJMHZ-UHFFFAOYSA-N 474.608 0.756 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c1=O 610487053 BIMQQVZFRRENRC-WMZOPIPTSA-N 468.579 0.764 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2/S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO2)cc1 726404323 VYLFBASOSQDEFK-ZCGOPPHJSA-N 466.585 0.982 30 20 JCED C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(S(=O)(=O)N(C)C)c1 727408740 HTPKJKQUSVZWBP-CYBMUJFWSA-N 450.542 0.853 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCS(C)(=O)=O 729675219 VGWSEBQLOWOMOL-UHFFFAOYSA-N 453.973 0.637 30 20 JCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 731125417 HXKREJNEUKFEFM-UHFFFAOYSA-N 452.492 0.930 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C 918730097 OZYVOVNHMCSAQN-UHFFFAOYSA-N 480.468 0.702 30 20 JCED CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 918824585 OZSUUZCYLDHWSS-QFIPXVFZSA-N 484.469 0.719 30 20 JCED CC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1291376745 BDFHMSLRMMGRLL-JOCHJYFZSA-N 455.567 0.802 30 20 JCED CN(C)CCCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 1294414274 JJSPXDHFCQCXFD-HNNXBMFYSA-N 456.590 0.083 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1 1547415320 QXXLLNGFSITWKX-UHFFFAOYSA-N 488.618 0.356 30 20 JCED CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1555800782 IPUDTQCHZDBGEB-QGZVFWFLSA-N 479.584 0.929 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1([S@](C)=O)CC1 1608564971 YIRHIIJMOFEBOC-YTTGMZPUSA-N 456.576 0.921 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(S(=O)(=O)NC)CC1 1625230978 PTOYTYDJFBGUCA-MRXNPFEDSA-N 456.590 0.824 30 20 JCED CO[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(C#N)cc2)CCOC1 1711628558 QWTUSLAARDEWQX-UGKGYDQZSA-N 490.586 0.925 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1729313474 XBBPVGAWWAPZFP-UHFFFAOYSA-N 459.576 0.462 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N2CCOCC2)CC1 1741931620 QVCRVFXHALHASG-QFBILLFUSA-N 451.597 0.883 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C1 1741983393 JUTIVXRGXPQINE-ACJLOTCBSA-N 475.522 0.122 30 20 JCED CC(F)(F)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1751184728 XFBOROXCMRHVFV-CVEARBPZSA-N 473.550 0.833 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)[C@H](C3CCOCC3)C(=O)N4)C2)C1 1778384717 BSKNRNLSIFQCSD-DHLKQENFSA-N 481.505 0.680 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)CCO2)C1 1778973422 RLLPREWBNJMOSZ-NTKDMRAZSA-N 456.543 0.894 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)COc2ccccc2C#N)CCO3)no1 1779125123 OEDKGCBHCBPRFT-QHCPKHFHSA-N 467.482 0.493 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1779237916 VSKSMOYSEIWDQB-CELOQEIPSA-N 475.546 0.646 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1779875733 QJYQGPBRQCUXNP-SHTLVRLNSA-N 455.496 0.520 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1780088910 HXIMYJVVCARYJS-PXDATVDWSA-N 492.536 0.948 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1780738573 PBLKHBXZUKKDGM-DNVFCKCGSA-N 482.530 0.505 30 20 JCED COC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781169944 GDMFHPRFMHRTHP-QHCPKHFHSA-N 493.561 0.713 30 20 JCED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C(F)(F)F 1781803410 FIOZAVTWYDUNLG-JJRVBVJISA-N 455.499 0.947 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]21C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015455 NTOIZSVPWKUSOG-GVAOLFSASA-N 475.542 0.988 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CCN5CCOC5=O)CCO4)C3)c2c1 1782194517 CKODWSUVYVAYAU-QFIPXVFZSA-N 452.471 0.720 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783111703 IIZYGZMMXJRLBC-WZONZLPQSA-N 462.547 0.754 30 20 JCED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783443416 UHQOMMNYGQGJLP-UFYCRDLUSA-N 457.600 0.955 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784196007 WAVHTHMLDYXPCL-FKSLSLAPSA-N 469.579 0.833 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1 1784411546 IYHVLAHFGBAOQM-XSLAGTTESA-N 466.579 0.962 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1784786203 UOKIAICUIIPQHJ-CUSZFKRNSA-N 475.546 0.833 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1785594670 XHWXBLPZCQELHA-QKCPIRFBSA-N 462.547 0.564 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21 1786858532 WLWCNKZIQMFKBP-BXWFABGCSA-N 457.531 0.728 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)cc1 1786978861 DMVDQGHKXDHUDP-LNLFQRSKSA-N 461.482 0.391 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5nc6ncccn6n5)[C@H]4C3)c2c1 1787937990 GJBXPKDIFZEWMX-ZVZYQTTQSA-N 471.481 0.779 30 20 JCED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)[C@H]2C1 1792176557 MPJHIGQGCILYCI-SXYSDOLCSA-N 470.526 0.652 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1792267940 NXGSKPCQLWBZCR-GMOHSKTFSA-N 476.574 0.714 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1792489838 YYBBOBZKMILOGG-MVDLGSMLSA-N 492.573 0.118 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)CNC(C)=O)c(C#N)c1 1793472232 JTLZDDQFALMZAG-HATOLVCRSA-N 456.543 0.861 30 20 JCED CC(C)(C)OC(=O)N1CCN(c2cnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)cn2)CC1 1794352065 TWSNLBURGIRPHB-UPHUGPLXSA-N 499.572 0.651 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795419896 KLYNQUDUNFEDEV-ACDHPSKBSA-N 462.547 0.904 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccncc2=O)C3)c(C(F)(F)F)n1 1795999276 HVQKSSSWGHRTDZ-IVWMJMPLSA-N 476.415 0.432 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)C1 1797122111 ZTHSWKXADALTCD-PJVZLEMVSA-N 476.574 0.888 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)[C@H](C1CCOCC1)C(=O)N2 1797327705 IBFSVXWSEWDEHE-TXKCWOHGSA-N 481.505 0.440 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)NCC 1797694959 MSOZDZYOHBZYHA-DFBDCSAJSA-N 481.594 0.753 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815923 YDXPVLRULACVHO-MCNOKKAJSA-N 498.577 0.381 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cscn2)C3)c(C#N)c1 1799237360 JHRCNASCTGPIME-AXRVMRSRSA-N 469.567 0.725 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799710220 FNOLBHDRTWYJLW-NBMJBFSESA-N 493.358 0.675 30 20 JCED CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800862105 ZRXFUCYKKGZCEI-YYAJDYIMSA-N 451.520 0.603 30 20 JCED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(C)C)c(C#N)c1)C(=O)O 1801849004 UQXLXBKHHNMLCF-BMQTXXJKSA-N 458.515 0.611 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1804346204 IFAXLDNTRZRRMS-ZKBUFSQMSA-N 455.519 0.157 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1807956498 INIXJEQMTGFRHL-DCXXXQMHSA-N 486.525 0.403 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)ccc1F 1808561110 NXUXZOYOZXAPLN-NBGIEHNGSA-N 483.544 0.627 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1810285384 QBFGMPODIVOYGO-PZMWHVSESA-N 478.557 0.813 30 20 JCED N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810327521 PBZCTLUGDLIPMS-KNQAVFIVSA-N 452.559 0.626 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1810356229 AHMILBKTMLUESN-WROXZBKPSA-N 468.514 0.873 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1812872638 GNZWJYZPHFDQMJ-HOYKHHGWSA-N 490.516 0.956 30 20 JCED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1815799282 BHNWIMGKOCBWTN-CQSZACIVSA-N 454.491 0.425 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1817315279 LDGAIIQUSYGHBT-HNNXBMFYSA-N 466.506 0.728 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1819456365 HZMULXZPFOFFDR-AAOPIFSGSA-N 466.539 0.217 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCOCC1)CC2 1819898658 MSNQROHIGJBYHX-HXNSDUKSSA-N 451.549 0.916 30 20 JCED Nc1n[nH]c(CCC(=O)N[C@@H]2CCc3nc(NC(=O)/C=N/O[C@H]4CCCCO4)sc3C2)n1 1819901411 FYCBVMJGARFULO-DSBRPMNQSA-N 462.536 0.917 30 20 JCED CN(C)C(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC#N)C2)C1 1828934932 UYKPWYWALWHTLO-QHCPKHFHSA-N 455.515 0.830 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CN)CCN3C(=O)OCc2ccccc2)cc1 1829049938 KUCQRIYPFLIEHT-BKMJKUGQSA-N 490.564 0.910 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1829357912 FQCSUWAVJNTSKE-VWLOTQADSA-N 488.585 0.301 30 20 JCED NC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1829471019 ARTKHJIAVYINAD-DEOSSOPVSA-N 467.526 0.520 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)cc1 1829632612 WYDFFPJNIXUXGK-URXFXBBRSA-N 483.594 0.974 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nc3F)C2)C1 1829764269 JBIKXWQASMQWPT-QEVIJRNUSA-N 466.897 0.803 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1829765947 ASGNZJDNJBVZAF-FUMRIQNTSA-N 453.499 0.263 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3SC)C2)C1 1829768848 KFPJVLIKKILBNI-ICTHTSFCSA-N 460.556 0.732 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)C2)C1 1829770427 OYFDGHSTGKWJCH-PLGXJTBGSA-N 482.537 0.819 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1829770525 VSTYWLDHEHDSMA-XXGSHBOYSA-N 453.499 0.263 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)c1 1830460822 WMBURJJAOFSNBJ-DEOSSOPVSA-N 475.509 0.699 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208795 QTAHVWBYZTVZMQ-VWQFJMCTSA-N 479.574 0.784 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)C2)C1 1831402333 VCWUTCSYBBBIJA-VCWUMBODSA-N 491.585 0.881 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1831408762 AMPGSQRUJVHCGT-QFIPXVFZSA-N 487.619 0.097 30 20 JCED O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1cccs1 1833031938 SKODDAILYATVOO-SGCYSOCQSA-N 477.587 0.406 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1833466912 CSPXQRZTMSZNJX-QGZVFWFLSA-N 487.626 0.501 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833980955 BBYDFWICERZGJE-HXOBKFHXSA-N 473.530 0.463 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CN3CCSCC3)CC2)CC1 1834714323 FJRNEHDJGBVGGE-UHFFFAOYSA-N 464.680 0.889 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cn4ncccc4n3)CC2)CC1 1835392142 JCYLIHBXNRECEO-WAYWQWQTSA-N 465.558 0.773 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)CC1 1835399930 DCQZPMDEWLOOSP-AREMUKBSSA-N 483.613 0.585 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835529552 YEJIVBVJBIPDHE-AXHZCLLHSA-N 480.606 0.734 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1835677824 OQGISSXGJFIYHS-NRFANRHFSA-N 460.560 0.976 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)n[nH]4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1835858974 LHJUABFJFSLVTI-GAJHUEQPSA-N 491.545 0.751 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1836470259 NCTPQVORUQCEAH-QWPYIFRSSA-N 490.513 0.452 30 20 JCED O=C(C#Cc1ccccc1)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837078043 YGAHCAJFRRRUSW-UHFFFAOYSA-N 487.622 0.767 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc(O)[nH]4)CCO3)C2)c(C(F)(F)F)n1 1838065762 FEWYEDDWEQYSAG-IBGZPJMESA-N 480.403 0.785 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)c1 1838581668 GVKMICMSWBUDBV-HSZRJFAPSA-N 468.466 0.757 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838621560 UOPNGWFURJPFAT-YYWHXJBOSA-N 492.617 0.624 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)c1 1838638682 NDQQICLELVEGTE-QFIPXVFZSA-N 453.455 0.034 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)CCO2 1839043904 ZCDKCJNEGKUOFS-AREMUKBSSA-N 495.576 0.951 30 20 JCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1)C(F)(F)F 1839049831 YOWSUKQFXPTCNG-IBGZPJMESA-N 453.421 0.847 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)c(C#N)c1 1839131555 KPGGGNOCJHQEAV-RUZDIDTESA-N 493.520 0.373 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)c(C#N)c1 1839132555 IXGQKIGSNLEKTO-HSZRJFAPSA-N 467.482 0.375 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1839175468 MAGJSDLNKQMKFV-BKVHRCCISA-N 489.525 0.722 30 20 JCED CN1N=C(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)CCC1=O 1839186707 KKQAKHGGULYLMK-HSZRJFAPSA-N 471.489 0.304 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1839225150 YUHRKFKHVZSVCC-VGOFRKELSA-N 496.586 0.497 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1839228306 YTBKMXNALYMBSL-QRQCRPRQSA-N 491.570 0.997 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839423866 AORYEFYXWJTZJC-NRFANRHFSA-N 479.990 0.766 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839424668 WBIRXNKXJCSVAK-NRFANRHFSA-N 479.990 0.766 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)=NO2)C1 1840002640 BMXLLCDMWMKZCB-XZOQPEGZSA-N 491.545 0.512 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1)c1ccc(O)cc1 1840219841 JCZTXJJDKOWGCC-GBXCKJPGSA-N 467.526 0.637 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2cncn2)CCO3)c(O)n1 1840416835 YFKUDPYZDKIGPC-SBUREZEXSA-N 470.530 0.829 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1)NC(=O)OC(C)(C)C 1840795778 BEOUOZQCYYYNEK-OPAMFIHVSA-N 499.634 0.929 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1840818666 OVSWLBKVHRTNTI-XMMPIXPASA-N 479.493 0.201 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840883351 YLOGWXKJQDJNFC-PZPWOCDFSA-N 489.591 0.218 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)[C@H](C)CC)C2)C1 1840907164 PVPAITSRXJGLRY-XMODTWTHSA-N 481.590 0.766 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1 1840908797 HDDCNSXJTJWGKE-MHECFPHRSA-N 480.606 0.748 30 20 JCED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1)NC(=O)OC(C)(C)C 1841962561 UFCVXRFPJQVYQZ-CABCVRRESA-N 463.535 0.647 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)N1CCOCC1 1847939857 JALRYOMJCCRHEW-LSTDLKDCSA-N 452.552 0.308 30 20 JCED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1848061348 ADPJLFFRCDTPAW-GJZGRUSLSA-N 462.597 0.962 30 20 JCED CN1/C(=C/C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C(C)(C)c2ccccc21 103106006 GSSRJHJVPUCNKL-LICLKQGHSA-N 451.483 0.858 30 20 JCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 110269085 SOOXOTFRDRWSEL-KRWDZBQOSA-N 464.544 0.752 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1C1CC1 514327820 SIJXWSIANDZYRI-UHFFFAOYSA-N 459.911 0.989 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC1 517178850 HKJFNQUJWOHNAS-UHFFFAOYSA-N 485.522 0.284 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2Cn2cncn2)CC1 518131683 VTEGWSHDDPPEDD-UHFFFAOYSA-N 479.522 0.670 30 20 JCED N#Cc1cccc(CNC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)c1 519887916 BZGSGSZMKYYKRG-UHFFFAOYSA-N 456.484 0.069 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 521361319 IEHQEIZNXGEHCV-UHFFFAOYSA-N 471.539 0.811 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCN(C)c1ccccc1 726578664 JUFPSNSFGLSMGJ-GOSISDBHSA-N 494.621 0.824 30 20 JCED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CC2CCN(S(C)(=O)=O)CC2)C1=O 726890318 VOTFBBZTNYVMLA-HNNXBMFYSA-N 469.589 0.829 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 811829866 XOSPSFVFQLEHCL-UHFFFAOYSA-N 459.480 0.333 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2cccc(C)c2)CC1 838816258 BFXCSSYFRPWFME-UHFFFAOYSA-N 462.579 0.608 30 20 JCED CC(C)[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 877877274 VILZYTSDQDPUOI-PXNSSMCTSA-N 485.584 0.753 30 20 JCED N#C[C@H](C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 916995347 XLQXAWLYDCLQEN-SMRMUBIOSA-N 466.406 0.820 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(N4CCOC4=O)cc3)CC2)cc1 918311683 XSEOGVQUCGPTNY-UHFFFAOYSA-N 483.506 0.986 30 20 JCED CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918422702 GIYOLOBWHIZKAN-CYMZXICGSA-N 454.549 0.588 30 20 JCED CCNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1296241620 RLFUUKPKVPZLOH-HRAATJIYSA-N 481.623 0.903 30 20 JCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1296295068 YTKMNLZWMMZUGA-KSSFIOAISA-N 458.544 0.887 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(O)CCOC1 1360237380 CNAJJUAWJPDFMN-QFIPXVFZSA-N 457.510 0.905 30 20 JCED CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1502199566 OAYOHWDVXKLPFC-APWZRJJASA-N 455.560 0.537 30 20 JCED CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1510342173 VZROTVNQHXEGCG-NRFANRHFSA-N 461.544 0.894 30 20 JCED Cn1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)n1 1517386635 SFXRLOGMSPTKQH-QAPCUYQASA-N 452.516 0.029 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 1634895237 OLTDQCFMUTXZHW-KRWDZBQOSA-N 458.544 0.893 30 20 JCED CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1691419903 KIKIRTMMNHJWER-JOCHJYFZSA-N 472.571 0.671 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1697023298 PAOFJNWXMDXMEE-UHFFFAOYSA-N 472.575 0.750 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1730764204 RUOCBWFXEMISMO-MSOLQXFVSA-N 452.581 0.805 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1730786412 NGSDGABVJWEIHE-UHFFFAOYSA-N 453.547 0.834 30 20 JCED CC(C)(C)OC(=O)NC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)COC1 1741218227 HANKBRYCXMBRAO-HNNXBMFYSA-N 461.523 0.423 30 20 JCED CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747416460 VITSFZWWYUHPKQ-MRXNPFEDSA-N 458.548 0.257 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1768524499 STIFNMWATUGNGW-NRFANRHFSA-N 491.549 0.496 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)c(C)n2n1 1777781820 GLNBSORZPHZRCG-XMMPIXPASA-N 466.542 0.883 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)c(C)n2n1 1777783031 UAGLSMDUGGEYBU-IGPUNGKJSA-N 454.535 0.656 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccc3nc[nH]c23)C1 1777923479 IJGVNCTZKVBABG-VCWLXYSBSA-N 452.515 0.944 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1SC(=N)NC1=O 1778081960 SHAAMADRCNIOLN-CGYVZUEWSA-N 478.619 0.774 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c2ccccc21 1778164714 OBZCOKWTIPCKKO-DEOSSOPVSA-N 468.558 0.452 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)CCO2)C1 1778969820 SRSIMLRLEYGLDA-KBMIEXCESA-N 483.569 0.896 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779423926 LXJMQWZGUJVKQH-QRTJQILJSA-N 450.536 0.650 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1780159381 XGTYHINQEJDBBA-SKLAUCLBSA-N 469.494 0.991 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793583 NARYILVCZLKQLS-OFNKIYASSA-N 457.483 0.691 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)ccc1Br 1781902187 CHPMTVKHABDJGC-OXQOHEQNSA-N 478.347 0.357 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782199028 HSVUIGAOTCXCGB-FDDCHVKYSA-N 484.513 0.721 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783152772 VUKNHMQMTKYCEU-AOMKIAJQSA-N 452.552 0.941 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1783612507 ZPDUQWYWGQVOJI-ZMPRRUGASA-N 450.536 0.736 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783635376 NLNCFHQQJNPLHI-BCYZHJNNSA-N 476.574 0.409 30 20 JCED COc1ccc(OC)c(C(=O)CCC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1783870520 YBYICRHLRFSRAX-HSZRJFAPSA-N 458.467 0.585 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(C)=O)CCO2)C1 1783883319 GTKMANZAPOHYMQ-AOMKIAJQSA-N 482.534 0.211 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785331289 RJFWWYNTBATLJK-BPAWZDJUSA-N 474.558 0.546 30 20 JCED Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)c(=O)nc1O 1785353221 HNRQOHQHKKGHJR-HSZRJFAPSA-N 477.481 0.149 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)CCO2 1785423956 KUDANVFADQDUTM-HSZRJFAPSA-N 483.550 0.521 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO2)C1 1785596569 LUZOZAXDBHQAOF-YHFSLCLQSA-N 497.614 0.863 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)[C@H]2C1 1788095552 QJLROOCUCCDKSW-FSGKZVOOSA-N 463.575 0.997 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1788660578 YRANAZMRRNZBHS-OWUFPNJSSA-N 476.574 0.896 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789762708 HMKDZQAMXIQHBR-OLGWUGKESA-N 492.617 0.386 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789935120 CUAAQEIWWIZEKN-OYSTVDSJSA-N 469.579 0.833 30 20 JCED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)cc1 1790142471 UMBJXWJZMCWDCM-LNLFQRSKSA-N 461.482 0.391 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1792450283 GGWMDNRMGZZFPF-PZPPHJHLSA-N 450.536 0.498 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1793085788 NNOGRUHOYXNMCL-XAPVIXHLSA-N 471.554 0.903 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795416713 KKJLQYMIKUESKN-XEMDLRDOSA-N 468.551 0.438 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H](N)C(N)=O)C(C)(C)S 1796086673 NHMVZXSAVQTPOX-CEEVZKBLSA-N 485.651 0.819 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2)[C@@H]1SC(=N)NC1=O 1796426882 KOBLIEIPSIPEBI-SYCOBUBCSA-N 459.503 0.703 30 20 JCED COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1796588780 XLUJACQRERCCDL-OPMZPASUSA-N 453.499 0.683 30 20 JCED CC(C)(C)OC(=O)N1CCc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)cnc21 1797025623 UXBVWOXMHQIZHW-XEMDLRDOSA-N 484.509 0.670 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(S(C)(=O)=O)cn2)C3)c1 1798573878 YTXMWXLIVUBNSM-UPHUGPLXSA-N 484.534 0.882 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c1 1798576484 GFXXKQFNGXLPPY-RMFSNUHRSA-N 476.555 0.196 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncon2)C3)CC1 1799236492 POBSJMHQQNGGQU-MUJYYYPQSA-N 474.518 0.814 30 20 JCED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]cnc4n2)C3)c(C#N)c1 1800031980 FSYSBOQFFPIFSU-BJWYYQGGSA-N 461.482 0.792 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)C2 1800988920 AJIWWUCLLONZFQ-QDRMNVNKSA-N 469.604 0.653 30 20 JCED Cc1ccc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cc1 1802120590 CBEMQEQKJLIFPM-YVTXAFFYSA-N 455.559 0.786 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)C2 1804374197 RJASMLCYBMNBGY-YYIAUSFCSA-N 484.557 0.795 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1 1805285121 AGHBGPYUICFYJG-INIZCTEOSA-N 498.577 0.334 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1808293657 BIUUQADUUDSCRR-VUTNTTQYSA-N 452.471 0.461 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810094642 MSNNVFNBUTZJPQ-SNIMPBRWSA-N 460.535 0.624 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)C1 1818610418 SLDKDBHZQSNQKZ-NFAWXSAZSA-N 492.554 0.761 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819674601 JTRRJOXOVWTQBX-YPMHNXCESA-N 474.543 0.848 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cc(C)c(O)nc2=O)n[nH]1 1823364547 GBHYJMFRILMILS-XITLMJRVSA-N 469.502 0.531 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661334 PNCNSHKVOFASLE-FZMZJTMJSA-N 476.511 0.722 30 20 JCED CN[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1)C(=O)O 1828923031 MBDBYIOFJJHOGO-NTKDMRAZSA-N 485.541 0.805 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828969742 MSTMZVJCMAUXPK-QSAZIKIQSA-N 491.614 0.350 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 1829260038 DZOWIIRUWYGLGO-RUZDIDTESA-N 475.505 0.879 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829356553 XTEAZQOGLUWZLD-BJKOFHAPSA-N 486.525 0.968 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CS(C)(=O)=O)nc4)C3)C2)C1 1829667507 ZOSQPAYZCWIZKB-QFIPXVFZSA-N 463.556 0.662 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Oc3ccccc3)C2)C1 1829768779 GVXVHMLZIYBFHE-ZLWFTYKOSA-N 457.527 0.769 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1829771503 SWJYWNBBHBEBHG-IYZQMXKPSA-N 453.499 0.263 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)OC)CCO2 1829944395 CZDUMHPHFWDUSY-UZUQRXQVSA-N 467.563 0.784 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c1 1830458179 MEOGGKLNTGHPIP-XMMPIXPASA-N 450.495 0.894 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1830461501 MKAWOJKMKHJLJV-LVXARBLLSA-N 483.613 0.583 30 20 JCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)n(-c2cccc(=O)n2C)n1 1831214957 DOHZKILBBOGPFO-RUZDIDTESA-N 479.537 0.363 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1831421080 DGSPFBQSLCBVNM-HRAATJIYSA-N 467.544 0.146 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1831434318 WGSGAYRFWFSUQB-UGKGYDQZSA-N 458.552 0.104 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1831493065 PXYLSKAUCUIMAZ-PNLZDCPESA-N 489.635 0.673 30 20 JCED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n[nH]1 1833824677 OXZGDFLWBPXKEX-JMQQFMRHSA-N 463.491 0.211 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n(C)n1 1834163819 OJFCNBZWUSKOTP-HSZRJFAPSA-N 463.498 0.860 30 20 JCED CCOc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cnc2c1cnn2C 1835342023 IFGAVSWVHCOELV-HSZRJFAPSA-N 468.514 0.741 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346524 FQRFUGONVZBDFN-MXEPURNFSA-N 474.558 0.859 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835349723 SUCUFOIYSCHORL-FDDCHVKYSA-N 478.567 0.127 30 20 JCED COC1(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)CN(C(=O)OC(C)(C)C)C1 1835357092 XZHFQKDQRPBHSB-HSZRJFAPSA-N 480.562 0.773 30 20 JCED COc1nc(C)ccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677926 QWHFYEMGNLKSOQ-HSZRJFAPSA-N 459.547 0.751 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1835751528 WACSEURACUTNAO-UHFFFAOYSA-N 471.558 0.772 30 20 JCED CC(C)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(C)C 1835897843 HFTGGYYFILLEJF-ILHMOADUSA-N 468.595 0.994 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)CCO2 1836289609 FFGBQRFRXQFLJR-DEOSSOPVSA-N 482.541 0.049 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1836473910 PCUWQWKIQKNVEK-JLHGSKIFSA-N 486.566 0.129 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490381 AXKNDMMLXLAIBE-DEOSSOPVSA-N 470.526 0.175 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1837525683 OMDCLFRCHKRGKT-OJIPKMRZSA-N 477.514 0.756 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1837525928 ABJCSLFFPVELBJ-JPDUQLBUSA-N 460.531 1.000 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n1 1837660021 DOCWIYJWXKZUAI-HSZRJFAPSA-N 457.531 0.437 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1838300639 WOEMQGJKFVOAHF-JOCHJYFZSA-N 478.634 0.722 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838654265 UIGWEUJGPUNUNI-HOYKHHGWSA-N 488.541 0.774 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)c1 1838732311 KVNWRZACDTUSJL-JOCHJYFZSA-N 454.487 0.105 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NNc3ccccc3)C2)C1 1839172693 XCNITYUJPISXIK-DVECYGJZSA-N 474.558 0.957 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1839175147 RMMXGNOSGCCESA-QFIPXVFZSA-N 483.468 0.823 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839185866 PADMDDNIJHHHDJ-XLQQFJOYSA-N 470.501 0.555 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420950 ONDHAHPVXXXOBN-ZHRRBRCNSA-N 456.478 0.695 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1 1839452025 CPWQEQMUZMTPSC-JOCHJYFZSA-N 453.455 0.452 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)c3ncc(Br)cn3)C2)C1 1839806150 CHHNJISBKWWKDE-IBGZPJMESA-N 451.321 0.606 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1)c1ccc(O)cc1 1839860608 CUVQCCKDNLSZIN-GBXCKJPGSA-N 457.527 0.482 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839861546 FBWKBCOCBPLHCV-MQNAVGNWSA-N 480.562 0.048 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1840044396 VTUUSISQXSYAEH-SBUREZEXSA-N 477.514 0.096 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1840081945 QHFPREXRAKQSTM-IFMALSPDSA-N 492.635 0.093 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCCCC2=O)CCO3)ccc1F 1840105298 JPHUTYOLDDRUJM-XMMPIXPASA-N 472.517 0.709 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1cccn1 1840442419 DGZNAMJXOFGYKY-HJPURHCSSA-N 463.498 0.962 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)ccc1F 1840447981 POFDAYQCJAMNPZ-QFIPXVFZSA-N 456.478 0.378 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2nc3ncccn3n2)C1 1843720364 RWKGJJSSCREVLQ-HNNXBMFYSA-N 453.503 0.858 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC=O)C1 1845181351 ARCMYLIIDIZMDE-CVEARBPZSA-N 481.550 0.130 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846122132 MJJDUGCTKNGHQU-MRXNPFEDSA-N 461.515 0.551 30 20 JCED C=CCC(=O)N1CC2(CCCN2C(=O)CCOCCOCCOCCOCCOCCOC)C1 1846253907 XUHHUUKJRIOEEL-UHFFFAOYSA-N 486.606 0.885 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C1CCN(C)CC1 516828316 BTKOMOYHUBOVML-HNNXBMFYSA-N 488.585 0.978 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2[C@@H](C)c2ccccc2)CC1 604004328 KKYHPXCOOWSPSY-SFHVURJKSA-N 476.606 0.920 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)Cc1c(C)[nH]c2ccnn2c1=O 729191163 MHCYXFJFOUDNSD-UHFFFAOYSA-N 476.449 0.797 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)CC1 748344563 VTOWCGMIMYLYHC-UHFFFAOYSA-N 495.517 0.344 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)c1 918265424 IKZKBCMYHOTFTR-JWGURIENSA-N 487.604 0.272 30 20 JCED CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2=O 919315486 ICPCXMOSHNEYIH-UHFFFAOYSA-N 476.511 0.548 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 919994099 NYHCCCSZUZMVRH-UHFFFAOYSA-N 476.580 0.787 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 920466275 GVNSRGOAVNAOGP-CQSZACIVSA-N 458.496 0.166 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(=O)N1CCCC1 928865237 JRQBWXGMRARJBI-MRXNPFEDSA-N 464.544 0.566 30 20 JCED CN(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1298032688 PEZHLHKZHRLDOG-GPMSIDNRSA-N 455.560 0.393 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1302489416 VBKKCSZCRROXLK-IBGZPJMESA-N 460.560 0.998 30 20 JCED COc1ccncc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1518543703 XQPYFPQEHTUBNM-PBHICJAKSA-N 460.564 0.517 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1547765240 OCLNWKOMLWKECA-GOSISDBHSA-N 471.587 0.510 30 20 JCED CC[C@H](C)[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)NCCN1CCOCC1 1565583617 RBXBTYDPNUFOEL-JXFKEZNVSA-N 453.547 0.919 30 20 JCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1589405533 RTKBHFAUZVSFLU-QWHCGFSZSA-N 459.370 0.645 30 20 JCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1597893720 UDLAGSSPZRQUEH-GOEBONIOSA-N 456.590 0.776 30 20 JCED Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1620512393 XGROTPCCINNHIH-UHFFFAOYSA-N 450.542 0.582 30 20 JCED CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)N1CCCC1 1694399472 RUMPLEPOPKRIEO-FUHIMQAGSA-N 469.587 0.927 30 20 JCED COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c(F)c1 1711855294 VXFWZJHMAJXCSX-SJLPKXTDSA-N 480.522 0.536 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1726765365 MXJXITBJBLWKKU-HRAATJIYSA-N 460.560 0.828 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1770345535 JAZYBPDSUGFXTO-UHFFFAOYSA-N 471.465 0.577 30 20 JCED CC(=O)N(C)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779420127 OFVMYWIONXUCBL-LUCGCISYSA-N 452.552 0.898 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)C1 1780175643 CZHKNNMODIWOBI-WHSOILSHSA-N 468.510 0.708 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1781013817 BYCRPZWVDXUWLX-VKTSEMSYSA-N 462.547 0.684 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781055568 WJNQXPYJZZHHAV-ZYLNGJIFSA-N 457.571 0.916 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)C2)C1 1781387107 OEHJSMKGCAARFK-OWHZGTRUSA-N 490.601 0.991 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(C)=O)C1 1781764836 ISTOOIQWLGZWAU-YZZKKUAISA-N 464.563 0.553 30 20 JCED CC1(C)C=C(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CN1C(=O)c1ccccc1 1783701894 YDWPXHPNJSQHRE-RUZDIDTESA-N 465.506 0.765 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1784198468 HKYIBXURDQGICG-FHWLQOOXSA-N 494.589 0.828 30 20 JCED COCCOCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785367470 RKQYYNIIYZQRST-HSZRJFAPSA-N 467.563 0.596 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]3C2)c(C#N)c1 1787528232 FSROFGYQVYZFJP-YYWHXJBOSA-N 456.543 0.861 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1792261240 DGAZDFKFBHOAMS-KANFNMMFSA-N 499.568 0.690 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCCNC4=O)C3)cc1 1792424178 IKXFXFDPZSXKEJ-BBIADKPPSA-N 476.537 0.724 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 1793009622 SRZFOEYZWSSBKV-HZKQSDJQSA-N 479.599 0.843 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1COc2ccccc2O1 1793264610 CUCNVWIYMSUULT-WWQMNQQOSA-N 455.511 0.665 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC 1793319109 JGJSKSZOIBJJFT-AJYBTWMASA-N 499.630 0.708 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H]1CCc2nc(O)nc(O)c2C1 1794113300 NGWICTXJTIFVAL-VXHVLIRBSA-N 489.529 0.111 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)CC)C3)c(O)n1 1794488751 QIMYSVXBJQQUFH-CCWDJLKJSA-N 451.545 0.544 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1796300409 OXWUUDMQJUHYEP-DMUMMCEESA-N 479.574 0.160 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)NCC 1797698615 IHBPKBLMVIQFQI-DFBDCSAJSA-N 479.578 0.200 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSc2nc[nH]n2)C3)c(C#N)c1 1799241142 MJLUHRIJSVLSGU-CWPLJXCYSA-N 456.528 0.609 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1F 1800377528 IYTKPZKVDMIBQE-COZGXFGHSA-N 498.552 0.740 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2 1801001824 MQWRDZRXDXELEZ-XCRACJGTSA-N 457.527 0.924 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2 1802125555 HYAJEIRJTXCIEH-KPEUIFRASA-N 462.503 0.287 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C(=O)C1 1802188455 XEVNHHRWURENEV-OPMZPASUSA-N 474.558 0.069 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCNC(=S)NC)[C@@H]1c1cccnc1 1802482893 PVXTZZHQBSDPPP-KVANESHQSA-N 458.588 0.430 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)CCOC1 1808590000 DZOZXSJYGKMJOI-GERBCZOESA-N 486.525 0.859 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccnc1 1810632735 NTAHIKCLKNTNFK-VUTNTTQYSA-N 453.459 0.891 30 20 JCED C=C(C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1)C(F)(F)F 1812675572 SLVJBGLUIIJVSD-FUHWJXTLSA-N 474.505 0.936 30 20 JCED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)c1 1821603722 KIWDZCPRJAFPNV-SECBINFHSA-N 450.444 0.008 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822199233 FFDRUZOXQDSQIG-INIZCTEOSA-N 459.484 0.743 30 20 JCED Cn1c(=O)c2c(CC(=O)Nc3nc4c(s3)C[C@@H](NC(=O)CC#N)CC4)csc2n(C)c1=O 1822467595 KPNJNIBTNMYQHI-NSHDSACASA-N 472.552 0.824 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCN2C(=O)OCc1ccccc1 1828753635 CIYCAZULRXGAKL-RUZDIDTESA-N 490.520 0.325 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1829763958 GNGGLMSKTUCHSQ-KBDOHKNDSA-N 492.536 0.467 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1829766023 GQHQGELOXZJSLD-POUSAUBHSA-N 471.510 0.386 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)C1 1829768785 HCJXJADIVJHHFU-YKZHINMASA-N 498.536 0.334 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1830184620 QKFIDYQIRBCEHC-DGEAWOGYSA-N 492.598 0.632 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1830573856 RLOVVZBPNZGSDA-FOIQADDNSA-N 477.505 0.540 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830972666 XGMKIQXHCKRRGN-QHCPKHFHSA-N 451.483 0.426 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1832455930 CLZZPSFNBVUWLE-FQEVSTJZSA-N 452.533 0.088 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc4ncnn4c3)CC2)CC1 1833467203 MPTFLHPOLIKNLG-SFHVURJKSA-N 452.559 0.882 30 20 JCED O=C(O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)ncn1 1833492515 NPRKKAANUBOTJN-LFTXJPJQSA-N 486.506 0.745 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cnsn5)CCO4)C3)c2c1 1833534008 FRNJAKOUIZODJJ-FQEVSTJZSA-N 453.484 0.670 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)c(O)n1 1833698943 PWMCWFOXYVBTFP-HSZRJFAPSA-N 455.515 0.942 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)n5[nH]nnc5n4)CC3)CC2)c1 1834973337 RISDHBCKDHQWGY-UHFFFAOYSA-N 489.540 0.492 30 20 JCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1835111387 DYPVQRZBIVDRAR-CRAIPNDOSA-N 491.662 0.642 30 20 JCED C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1835532630 BUOYRATVJWQYKH-DMPWYTOCSA-N 488.651 0.639 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3ccc(O)nn3)CC2)CC1 1835767075 AHLIZTBNUIDTRQ-CPOKCXMASA-N 460.535 0.896 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836066668 XQHGIXOLDMXNSM-YADARESESA-N 489.573 0.336 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837379823 HDJUORMXGDQHSE-OYHNWAKOSA-N 461.494 0.475 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1837440552 MWUGNKISIHUPLA-VFOQMXGYSA-N 489.617 0.706 30 20 JCED O=C(Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837630038 ZHTDPDAQOLMEKF-XUHCNCODSA-N 455.471 0.189 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-c4ccccn4)[nH]n3)CCO2)C1 1838047847 HORXAXNMBUZDJK-GAJHUEQPSA-N 453.499 0.580 30 20 JCED Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1Cl 1838308573 OHRIAZWWKHKQCV-QFIPXVFZSA-N 464.950 0.842 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)CCO2 1838758507 QJNSQHIOEOBOID-JOCHJYFZSA-N 463.535 0.613 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C3)C2)c(C#N)c1 1839131554 KBQWTGDOYKTYAR-SFTDATJTSA-N 485.459 0.879 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)cn4)C3)C2)c(C#N)c1 1839132017 NKRJHOAYDNARRM-DEOSSOPVSA-N 466.494 0.980 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4C)C3)C2)c(C#N)c1 1839132518 INJHUNAPRNFMDO-XMMPIXPASA-N 467.526 0.771 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)ccc1F 1839187083 JCOMHWOMAQOPPT-FQEVSTJZSA-N 487.406 0.802 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839379123 USCHOPUGQBARFE-IBLIISRWSA-N 480.525 0.196 30 20 JCED COC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c([N+](=O)[O-])c1 1839462018 GSOBCAUAIYLDHW-QFIPXVFZSA-N 472.454 0.755 30 20 JCED Cc1ccc(-n2ccnn2)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1839478790 QGYMGUZVNWIAGS-VWLOTQADSA-N 495.584 0.928 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)N1CCN(C)CC1 1839488843 IAJQKECOIJJKGG-CJAUYULYSA-N 495.584 0.140 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1840108344 RGJYOAQVSSKENZ-PMAPCBKXSA-N 492.577 0.765 30 20 JCED C[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840111105 WTBLFVDVGURPBG-PDSXEYIOSA-N 475.608 0.425 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(OC)OC)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251898 DERAKGVPNSCRKT-SBUREZEXSA-N 483.562 0.627 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c1Cl 1840263644 VXAJODURIULPOX-JOCHJYFZSA-N 472.885 0.207 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840815203 CJHNBOJQUFKNFY-JOCHJYFZSA-N 479.530 0.993 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCSC)C2)C1 1840908240 FKLUPIPAKPUTON-IUKKYPGJSA-N 499.630 0.473 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1840912752 PAEXZASGHQSINS-JSMQRPJFSA-N 494.589 0.424 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1 1840912899 RUSURMKLPUOJSZ-UZFJHSOTSA-N 483.562 0.531 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(OC)OC)C2)C1 1840912904 RUSURMKLPUOJSZ-ZGNKEGEESA-N 483.562 0.531 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842909756 LMFNUIOLCLYQNQ-LJQANCHMSA-N 468.558 0.901 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C1 1843383592 QHGUBCJVOPULFI-QWGSZXSUSA-N 450.536 0.588 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CNC(=O)C3)C2)CC1 1845999732 UOHZCWKDRVKEDO-INIZCTEOSA-N 459.547 0.867 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034413 PEPNZUVDXBRITC-GOSISDBHSA-N 468.595 0.336 30 20 JCED C[C@H](c1ccccc1)n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cscn2)c1=O 497554932 NSAIYBVLMFMPQJ-QGZVFWFLSA-N 495.630 0.927 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1-c1ccc(C(N)=O)cc1 523258329 GIBTVPFFYJMPAR-UHFFFAOYSA-N 482.905 0.629 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(C(N)=O)cc1 726576141 XASLBUMBPJMKEQ-UHFFFAOYSA-N 497.540 0.384 30 20 JCED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1=O 748576421 SNLYHRATOWUXNE-QFIPXVFZSA-N 499.505 0.157 30 20 JCED C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC(=O)NCC(F)(F)F 887571980 JBETWPSRCRJKQH-JTQLQIEISA-N 464.422 0.825 30 20 JCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=S)NCCCN2CCOCC2)CC1 914559350 KQWFWSCLQNJDTG-UHFFFAOYSA-N 457.626 0.353 30 20 JCED Cc1c(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C 916960965 KFIBAGLHPJLZGY-NHQOTNMQSA-N 473.489 0.939 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 918729929 LEBWLROLUCNGCF-UHFFFAOYSA-N 456.572 0.075 30 20 JCED CNc1nc(C)ccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919138139 VLFOLEZJGHBFCW-UHFFFAOYSA-N 457.512 0.993 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCOC4)n3CCC(=O)NC(C)C)CC2)c1C#N 1290577679 PSADYGKFDUOHIM-QGZVFWFLSA-N 455.567 0.937 30 20 JCED CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1302448903 JHIMNZCMRDUFJA-AEFFLSMTSA-N 479.584 0.787 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCCc1ccccc1 1303823166 KRKLFVNQQBNAHM-MRXNPFEDSA-N 459.576 0.987 30 20 JCED Cn1nc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1314931263 UAKQMBMAMNQANJ-UHFFFAOYSA-N 470.559 0.871 30 20 JCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1509217630 SJTCVWFVSCCSQT-SFHVURJKSA-N 462.580 0.761 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCN1CCCO 1541926143 NMIFKQJOQGZOEP-AEFFLSMTSA-N 453.613 0.865 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705688053 MYBQSDHVODVWCP-CYBMUJFWSA-N 482.426 0.561 30 20 JCED C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1706810615 YUUBHIRJYAEHRV-IAGOWNOFSA-N 452.567 0.727 30 20 JCED Cc1nccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1725744155 PNBFBEWYKPTUQI-XLIONFOSSA-N 462.580 0.946 30 20 JCED COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1OC 1730089527 AAIGGZVRVAKIFM-KRWDZBQOSA-N 475.575 0.688 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc(Br)cn1 1741943940 JJVAASHNOZBYAQ-YPMHNXCESA-N 473.357 0.276 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1750060727 JFFSTGSCJKOXBZ-MCIONIFRSA-N 467.518 0.747 30 20 JCED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(=O)(=O)c2ccccc2)C1 1750378752 LXIXAQOTGVCHFF-KXBFYZLASA-N 482.563 0.601 30 20 JCED COc1ccc(CCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1770137720 QOANUKYPFVUEHG-LJQANCHMSA-N 473.603 0.798 30 20 JCED Cn1c(=O)n(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c2ccccc21 1779065484 TZBJSYCIADJSRY-SANMLTNESA-N 480.565 0.869 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781055567 WJNQXPYJZZHHAV-WZOHSFFVSA-N 457.571 0.916 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1782893123 HMOGSHTZQFWMFF-CLOONOSVSA-N 490.601 0.991 30 20 JCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C[C@@H]32)c1 1783912527 XMMUPLDXVNZLTE-WFXMLNOXSA-N 497.577 0.936 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2)c1ccc(O)cc1 1784021068 ADOLIQASAPUUKX-LYHRCORUSA-N 452.515 0.967 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1785304970 KEOJLYYNZCTEOX-HOIFWPIMSA-N 452.552 0.810 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccn(CCOC)n3)CCO2)C1 1785574803 SONSQVIRRVAEAZ-UUOWRZLLSA-N 489.573 0.890 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1785576910 QJOSUGBETBZGBK-UUOWRZLLSA-N 472.542 0.745 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1785596079 CVMYSQPUGVBKJR-LGFFLQIISA-N 450.536 0.420 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1788573677 GDUWPOYZUJGDDB-OYSTVDSJSA-N 483.606 0.815 30 20 JCED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21)c1ccccc1 1788708871 ZQCYDCJITWEQQM-YFNVTMOMSA-N 454.571 0.756 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)c(C(F)(F)F)n1 1789295181 OPSHBPKVENDMOL-PJODQICGSA-N 476.415 0.962 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1789838732 NZJMWCMMZQXSKP-WPVAHCMFSA-N 490.601 0.799 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1789953774 HYJNNFLYYDAIOB-JBFGMIDGSA-N 475.546 0.773 30 20 JCED C=CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21)NC(=O)OC(C)(C)C 1792109184 XAHKILFSUAKAJM-VMXHOPILSA-N 496.605 0.888 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21 1792266743 QIPZDMQGPJAJFG-DAWKRRPCSA-N 464.563 0.701 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792836547 LASNUOQVBCTUNW-BAYUQKDNSA-N 476.913 0.776 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1793594973 IQMRLCSIFAKZOB-XRGAULLZSA-N 477.518 0.560 30 20 JCED Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)C3)cc1O 1794323654 VKBMCVZJNBAEJV-CULMDFNYSA-N 464.404 0.928 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)[C@@H](O)C1 1795417869 IXDGFSLWEGSBKC-SAOALYKGSA-N 464.563 0.888 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1797811321 KZLIKJGLSPZNFT-SJSYYZABSA-N 460.487 0.585 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c1 1798576702 KERKZEDBQUUHPL-CCWDJLKJSA-N 485.522 0.235 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694245 RYOLNDJOTILSEA-HGKCTWBKSA-N 461.519 0.631 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)NC=O 1800093055 YJXXLLDMKDFQJB-UYTYNIKBSA-N 495.577 0.565 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)OCC)CC1 1800366008 MFOSKLKMMLEGLK-XMTFNYHQSA-N 477.558 0.836 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1801000454 SINHGOHRGXNLLW-DFGXFYAUSA-N 473.592 0.480 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C13CCN(C(=O)OC(C)(C)C)CC3)C2 1801000543 XWZCJDAHFKBKJT-DMUMMCEESA-N 490.601 0.915 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)O 1801020575 YQOVWDZZZPUQAC-KRXQYRFLSA-N 471.576 0.863 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)ncn2)C3)N(C(=O)OC(C)(C)C)C1 1801100309 PFWVYOPEJXHQKD-HIRMHNASSA-N 473.530 0.951 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1802129102 ZCSSWONXROPNPT-FVSFCRNKSA-N 481.546 0.108 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1808430829 CGXJNKHDTYXCPC-OXQOHEQNSA-N 457.487 0.149 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810152762 HGKZNEWMIZCSRW-OXQOHEQNSA-N 455.519 0.930 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810357773 OZSXIZOVSIPGTB-QFZRFWILSA-N 479.537 0.689 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c1 1811406418 MJUSRDSIQRKZKA-VGSWGCGISA-N 476.493 0.833 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814567411 ZICISLRWXMVPKE-YNEFKOSYSA-N 451.549 0.916 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815069731 JKIHHGIIGMWZAX-UONOGXRCSA-N 456.528 0.599 30 20 JCED COc1cc(N2CCC(C(=O)N[C@@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)CC2)ncn1 1825661245 LQKPAQNFHMQFAW-CQSZACIVSA-N 484.538 0.858 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ncn(C)n3)C2)C1 1828581116 ZPBBDLISTQYQDW-CLOONOSVSA-N 494.552 0.919 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnnc1)CCN2C(=O)OCc1ccccc1 1828694754 OTDSAQHGMJKXCL-DEOSSOPVSA-N 477.477 0.630 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ncon3)C2)C1 1829335302 ZPSCWXGELHHUSG-JOCHJYFZSA-N 467.438 0.223 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=N)N)C2)C1 1829347619 AUNXGLZLNWJZHZ-DEOSSOPVSA-N 468.558 0.725 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C3)C2)C1 1829661198 OVNZZYJZQISRQS-JTSKRJEESA-N 453.536 0.295 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1829770322 JCHUMANYMRXVCX-IYZQMXKPSA-N 453.499 0.491 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1829770991 AITCIKGLTDPDQM-WEHRJKGCSA-N 480.525 0.196 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830179804 XIIVJUUSUHEMBP-JTSKRJEESA-N 466.556 0.751 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1830216542 FTKWTWHPHPFMST-NFBKMPQASA-N 454.483 0.699 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831225772 ZLIVGIIVNUUERJ-ZEQRLZLVSA-N 477.558 0.228 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1831387934 MXJFXGFIMPYURY-IMWIBFENSA-N 495.573 0.117 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)CCO2 1831524581 VFUXLAGZSULXSE-CYFREDJKSA-N 469.538 0.900 30 20 JCED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832468261 HNEBDBNGNSPBHX-ATIYNZHBSA-N 483.613 0.781 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1833400496 XDEXEOWYDJPJSF-YQNSVDCASA-N 493.586 0.027 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116381 IOHLZNYFDVEIAN-SFHVURJKSA-N 485.651 0.785 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)cc(C(F)(F)F)c1 1835309994 KLZSNFLZLILMRI-UTKZUKDTSA-N 480.443 0.926 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nc2ccccc21 1835676988 GXGKVCZQWKFINC-RUZDIDTESA-N 496.568 0.285 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836226001 RELBCOUGHDQICF-YZZKKUAISA-N 465.547 0.538 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836259609 IKVJVADLQJXJDM-JLTOFOAXSA-N 452.533 0.120 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCO4)CCO3)c(C#N)c1 1836972360 XODYWVZEZYTCKW-RUZDIDTESA-N 495.536 0.859 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1837400368 DFQZUWZAETXMQR-UUOWRZLLSA-N 499.605 0.557 30 20 JCED O=C(NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccco1 1837489299 COIIQCDUNDMJSZ-XMMPIXPASA-N 473.526 0.164 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837529445 USQFDCLLWAJQHW-AKTATVQLSA-N 486.569 0.686 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837697728 ZXKYQBXHHOWPIX-PIHUTKNWSA-N 461.540 0.634 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)c1ccccc1 1837732453 YLLVZHPGDZSPJU-ZEVJAHDQSA-N 485.581 0.791 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598016 KGEGARLETFCSIX-HTAPYJJXSA-N 460.918 0.902 30 20 JCED CN(CC(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1)C(=O)C(=O)O 1838686349 XCGPFYPSDDREKY-UHFFFAOYSA-N 474.489 0.853 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)nn1C 1838835546 NAMFDQFWJDFOII-QHCPKHFHSA-N 471.489 0.752 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cncnc4C)C3)C2)c(C#N)c1 1839132964 VBSKDTGOUVLDCI-XMMPIXPASA-N 465.510 0.978 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1839174187 KUGGCHWYETWISH-QFIPXVFZSA-N 462.503 0.455 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1839175866 JDPUFDZYJDDHKS-KBMIEXCESA-N 487.553 0.771 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n(C)n1 1839186729 LQKVXOGHJMFHCS-HSZRJFAPSA-N 471.489 0.752 30 20 JCED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)cccc1=O 1839186859 SEYCGOGVQAERTI-DEOSSOPVSA-N 468.485 0.709 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839414189 QWKBNLOYQWZXSU-IFXSCVBMSA-N 492.485 0.899 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)cc1 1839667387 NCLKXSRPIFCSRH-HSZRJFAPSA-N 467.482 0.132 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839844908 YCFUVEXXHPEULE-BSRJHKFKSA-N 469.579 0.931 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CNC(C)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1839860980 YRALHYGXUIGWJO-MBSDFSHPSA-N 480.562 0.145 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)C(F)(F)F 1839894599 HTFRKGCIPITTBD-GOSISDBHSA-N 474.392 0.331 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840008301 FIRISDWXZLQPLX-XZOQPEGZSA-N 497.520 0.270 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)C2)C1 1840044499 KDEKSXOMHNIMKG-QHCPKHFHSA-N 490.940 0.933 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1840162888 KJUAZMUCSMQFNT-LRAJWGHMSA-N 453.536 0.719 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3I)C2)C1 1840168734 OKIXHPKBEIAMOO-SFHVURJKSA-N 486.310 0.888 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C)C2)C1 1840912519 KKAKFNHWMVOGRD-PUZWTLIVSA-N 480.606 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2 1841053042 QHRHKEULMRUECQ-FPLPWBNLSA-N 494.589 0.606 30 20 JCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2)NC(=O)OC(C)(C)C 1846934394 ABODXSUPICZTTM-HZPDHXFCSA-N 451.568 0.642 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 17358076 OZNXZLXZRVIBJD-UHFFFAOYSA-N 455.540 0.297 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828887 QEXIXOWNSQQZNE-UHFFFAOYSA-N 483.575 0.030 30 20 JCED CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCN(C)S(C)(=O)=O)cn1 726108060 DTMUWSXTUZNOEY-OAHLLOKOSA-N 456.594 0.785 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(OC(F)(F)F)cc2)c1=O 727165035 VKQVEFGTQKGNJO-UHFFFAOYSA-N 458.443 0.384 30 20 JCED C#CCOc1cccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 731125298 CRKMAARXLDKCHI-UHFFFAOYSA-N 457.508 0.974 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)cc1F 839358831 WJFIUAAVFFOHSB-UHFFFAOYSA-N 496.568 0.032 30 20 JCED Cn1ncc2c(O)nc(CCC(=O)[C@H](C#N)C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc21 917014566 ZCTXIDALQOFDBU-INIZCTEOSA-N 478.469 0.967 30 20 JCED N#Cc1cn(CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c(=O)nc1O 1144758968 SFKMOWNOSZGJHK-MRXNPFEDSA-N 457.288 0.992 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 1298268193 RSBPBZNMFAPEDQ-AWEZNQCLSA-N 450.542 0.792 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1303405386 RUMRBNFXWNRVIN-LJQANCHMSA-N 458.611 0.828 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)c1 1518052995 KQYUWINHPRDEQP-SFHVURJKSA-N 462.532 0.727 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1 1617869599 DDIGVRCBXSJNIZ-NQIIRXRSSA-N 476.559 0.270 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1748088980 XUSTUWXKOHKBNI-GOSISDBHSA-N 489.602 0.891 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)[C@H](O)C1 1778364423 WRRDHZJJIKOZHL-URZJWIJPSA-N 450.536 0.738 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1=O 1778710830 PYJOGDDQQJUMNA-AVWDHSPOSA-N 450.451 0.977 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778908034 DNUQACMBCZZEAM-JXHRLWIKSA-N 450.580 0.256 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)CCO2)C1 1778973410 RLLPREWBNJMOSZ-CYFREDJKSA-N 456.543 0.894 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)cnc2s1 1779020124 YPAUJSKWFCJTQH-NWBNNPRYSA-N 472.571 0.980 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1780386612 FMSXIYXBRKOBNA-HSZRJFAPSA-N 451.531 0.993 30 20 JCED C[C@@H](CN)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781169925 FBNVKUAWSWKCON-GAJHUEQPSA-N 463.579 0.952 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781202138 UBULXHZYFPTPAO-JWRHBCIMSA-N 498.577 0.887 30 20 JCED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2)C(F)(F)F 1781802727 UTNZUEZYMAZPMH-CRAIPNDOSA-N 467.510 0.349 30 20 JCED CN1CCN(c2ccc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)cc2)CC1 1782009239 GPTHLUPDKDHYNZ-PXDATVDWSA-N 468.554 0.654 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CSc5nc[nH]n5)CCO4)C3)c2c1 1782198378 PKRSNENBMXMYAS-HXUWFJFHSA-N 452.500 0.788 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729537 DXZSPOSNPBTETA-XNTKYKATSA-N 471.558 0.742 30 20 JCED CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1783522250 ZBSKTXFHCVAARL-HMMUTEMRSA-N 452.537 0.702 30 20 JCED Cn1ncc2c(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cc(Br)cc21 1783567399 ZNFYPYNRDDRHNX-HXUWFJFHSA-N 475.299 0.867 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C[C@@H]2OCC[C@@H]21 1783567445 PLKRVPGVFZLBEJ-VXEMUYFQSA-N 491.541 0.319 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783685901 UPUYVKPZGJCQTH-ADHGMGHFSA-N 464.563 0.886 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1783765046 IDSULMQGZNGJGY-WIEQDCTASA-N 452.508 0.394 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)C1 1784006563 MBLUNDWZWGZEAY-VXKWHMMOSA-N 450.536 0.738 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cncn3)C2)C1 1784480458 IPYAOPBEODTOKI-PNLZDCPESA-N 460.535 0.586 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1784785655 DBSNLGWHHAYBHX-QAETUUGQSA-N 462.551 0.878 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1785514674 IIESUUAWAFXKEN-IIBYNOLFSA-N 452.508 0.576 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)NC(C)=O)CCO2)C1 1785596325 JSMJDDCKVTYHLH-JMZPTIHBSA-N 464.563 0.810 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1785708617 MBPFWCKGOVOXIO-ICTHTSFCSA-N 462.547 0.732 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3Cc4ccccc4CN3)[C@H]2C1 1787452052 CIPNPQPVGYEHEK-KJJMTIBFSA-N 453.587 0.962 30 20 JCED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787509825 HNSYHWGSWAPNRC-LWXWQKJCSA-N 454.570 0.901 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)[C@H]2C1 1789695211 RWCYHPRFJZZNNV-JSCGBJRHSA-N 459.518 0.962 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1789933835 BZUWTXFOUVPCCC-ZMMAXQRCSA-N 475.546 0.755 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1790586631 YDDCMJHBWXUXFB-XGZUDPECSA-N 467.526 0.892 30 20 JCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791272377 KVQIQDQBBQYNAD-XSLAGTTESA-N 464.563 0.538 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C[C@@H]21 1792175321 PEVWREQNXSHJTD-XSLAGTTESA-N 465.547 0.836 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccnn3)C[C@@H]21 1792257320 SVENLHCSTYFLNM-SPOLIRPYSA-N 474.562 0.735 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1792267845 KGVQUFLNPYLJAL-YWSDPWDBSA-N 492.617 0.768 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1792836736 YKUNPSHMKOWKRT-FAQVEIGNSA-N 481.940 0.925 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@@H](C)C#N)c1)C2 1793316205 HKZZCTRCZWIFBP-DJLVLGKWSA-N 462.572 0.845 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 1793340305 RNAUIQQSMQHXIR-OKYOBFRVSA-N 479.574 0.376 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](S)C(C)C 1793387880 SSWFYTBRZOHPTP-JAPOXJDPSA-N 487.619 0.987 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C 1794571605 DHCGFCNJRCIQDP-XMTFNYHQSA-N 474.562 0.715 30 20 JCED Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)no1 1796418009 GJHWHHYWIZRPSI-JFUVVPLISA-N 463.491 0.430 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1797868399 WDPZVGSEIRUTMJ-DNTRBPPBSA-N 483.550 0.685 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798691571 WCPKCUASBSNQGF-KYHPRHEASA-N 461.519 0.365 30 20 JCED CC(C)NC(=O)OC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1799129212 MYMSOGDLRSOWGX-RBGXWKNESA-N 451.568 0.961 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O)NC(=O)OC(C)(C)C 1800542293 XWWOSLFEUVCBOB-NYUBLWNDSA-N 466.579 0.962 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCO[C@H]12 1800765955 HLWJNUYAQNSUIN-VVIOYZBGSA-N 469.604 0.919 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1noc(C)n1)C2 1802125414 VGYZDQWJTSVXJJ-RCJHGTSTSA-N 461.519 0.427 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(C)C)C2 1802126257 JNOQBIDRJUVWIA-AJYBTWMASA-N 450.580 0.833 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c(C#N)c1 1808164160 AMJMZXIUVBDAEF-KOSHJBKYSA-N 490.520 0.762 30 20 JCED O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)c1cc(=O)n2[nH]nnc2n1 1817815445 DHQVUBFCFPOBPF-VRCTWVPOSA-N 467.494 0.313 30 20 JCED O=C(C/N=C/c1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1819476727 FTEPJOQVWHDSDN-OMPOGXFXSA-N 452.408 0.839 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821036089 MFMSOBOGYDOMLF-LLVKDONJSA-N 456.532 0.540 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CS(=O)(=O)N2CCCC2)CC1 1823744132 NFSOZKMSXWFUMO-ZTBDEIDFSA-N 480.631 0.890 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825669867 UYDUVQROIAXCMJ-GFCCVEGCSA-N 466.516 0.684 30 20 JCED C[C@]1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCCN1 1829216461 NTFMMARAJPQFMR-JWQCQUIFSA-N 482.537 0.669 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cccnn3)C2)C1 1829332410 KILGONVWEHWXGU-XMMPIXPASA-N 477.477 0.630 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831209036 RSKWQVHDYPHLCN-YADARESESA-N 477.558 0.492 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831212934 DNYKMXXYOCQIID-RLSLOFABSA-N 491.585 0.474 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1831427833 VZKYDWOTRHNJDY-MWTRTKDXSA-N 458.515 0.716 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)CCO2 1832004263 UUCWNYGDJXYNSB-RAZUEPIFSA-N 497.589 0.409 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)Nc1ccc(Br)cn1)CCO2 1833026943 AXEMSNXRFKUKJX-FQEVSTJZSA-N 479.331 0.652 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833400925 QBPIIBCZVIHRRT-HJPURHCSSA-N 493.561 0.665 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1833448734 MXMKSZGYTWLGNB-SFHVURJKSA-N 472.652 0.869 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)c(O)n1 1833699742 BYOXPEXSRUZSTP-JOCHJYFZSA-N 457.487 0.718 30 20 JCED COCCOCCOCCOCCC(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834402249 BDSKLMUNQMQCPJ-UHFFFAOYSA-N 468.595 0.558 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834755499 DUKLVFWPOMTTGY-UWJYYQICSA-N 464.544 0.032 30 20 JCED CCn1c(-n2nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)cc2C)cccc1=O 1835354572 OGJAAHJEKUQEPT-DEOSSOPVSA-N 482.541 0.736 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835358940 NPALIMAJAOGLCN-IIBYNOLFSA-N 454.524 0.022 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)no1 1835673909 ATCCBPJSZCVVJR-JOCHJYFZSA-N 476.534 0.050 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c(O)n1 1836205408 RKHJMOPTBVMWKW-JOCHJYFZSA-N 456.503 0.268 30 20 JCED N#CCCC(=O)N1CCC(N2CCC(NC(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1836339212 NUWXQZYPSBBTCI-UHFFFAOYSA-N 458.588 0.767 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(Cl)c5nncn5c4)CCO3)C2)c1 1837371402 VTGYRZMNFDHMTQ-OAQYLSRUSA-N 469.889 0.966 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1837405670 ZEUOJGCXTWRMAK-KHOMTPLRSA-N 473.570 0.834 30 20 JCED COCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491706 VYULTZROMXNRHY-QHCPKHFHSA-N 461.515 0.590 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1837565107 LAACCKSDJOZVQL-ZTNDBTQUSA-N 455.511 0.759 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1838537559 OKFIMJATCJJNRN-DEOSSOPVSA-N 466.494 0.406 30 20 JCED CCOC(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1F 1838539048 CIGANXZKDUTNLR-JOCHJYFZSA-N 462.430 0.160 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838600572 ZEFZWPMOFZXNBZ-HXUWFJFHSA-N 469.947 0.716 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1)c1ccc(F)cc1 1839039809 CJXDPVHUEFSONK-HLLQZAQXSA-N 453.536 0.778 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)CO1)CCO2 1839080849 MEYDKSJAVQDMQF-IERDGZPVSA-N 487.500 0.347 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cc3O)C2)C1 1839175360 FBPRYIANTVFEBL-HSZRJFAPSA-N 462.499 0.980 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)OC)C2)C1 1839176310 HDWMPYCYPFECGP-XLNZFTOWSA-N 478.542 0.708 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4cncn4)C3)C2)ccc1F 1839188039 IEWKHOAORAKOBM-JOCHJYFZSA-N 456.478 0.378 30 20 JCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839242073 UXDWNSZVOCTDHF-XMMPIXPASA-N 467.526 0.976 30 20 JCED CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839424783 CIOVBLIRXHNZNC-HXUWFJFHSA-N 469.947 0.716 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839726941 OTFNZXXOASIXGX-RSEQLOHWSA-N 489.638 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839772563 BZMRSFRTKKCPPI-XXGSHBOYSA-N 477.558 0.235 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1839840169 ZDHXOMRNLSAHND-IERDGZPVSA-N 451.545 0.767 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)C2)C1 1840042356 PMCDDJSNUVZAFH-HXUWFJFHSA-N 480.399 0.740 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)CCO2 1840108063 RUCLENYPDZVJRO-XLNZFTOWSA-N 479.574 0.951 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840158536 NANZMAJDEDTOFX-JXFKEZNVSA-N 456.586 0.543 30 20 JCED CCn1c(-n2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](C)S)CCO4)cc2C)cccc1=O 1840159844 PCSOJKRQLLMFOH-SBUREZEXSA-N 489.598 0.751 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C2)C1 1840163802 ZIWVZTAEVBYMLF-AVCGMFPDSA-N 499.630 0.786 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1840180806 HPOYTXQGWGLHQT-GOTSBHOMSA-N 459.499 0.438 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1)c1ccc(O)cc1 1840221641 DIBOZDSOPQSAFR-ZJCBTPCYSA-N 469.538 0.624 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1)c1ccc(O)cc1 1840222121 FFONGSTYWQVXDE-NTKDMRAZSA-N 457.527 0.611 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1)c1ccccc1 1840263630 VCLKLADIQGRCSI-HFZDXXHNSA-N 479.533 0.565 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840856163 HBHGIMCNNVGTGP-GBXCKJPGSA-N 472.542 0.698 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)nc3)C2)C1 1840907279 SRECDUKNSYCFOE-NTKDMRAZSA-N 487.557 0.772 30 20 JCED C=C(Br)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841236897 WPYVQYRXRHNCJB-LBPRGKRZSA-N 462.341 0.693 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1845131290 OURZPYKVPBNAPU-IBGZPJMESA-N 480.606 0.173 30 20 JCED CCc1[nH]nc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c1I 1846195503 XYTHCOHILFPZAA-UHFFFAOYSA-N 456.240 0.482 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC(F)(F)F)cc1 502034016 CBLMRYFJJKEFDA-UHFFFAOYSA-N 493.467 0.797 30 20 JCED Cc1nc(S(=O)(=O)NCCC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1C 511756475 MXPNRQJNWWYNQD-UHFFFAOYSA-N 488.549 0.925 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 522277083 FTGMRHJMKYTQCS-UHFFFAOYSA-N 479.505 0.910 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 523465416 SFRFSIBIEMRDIJ-UHFFFAOYSA-N 491.595 0.583 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(N)=O 524281350 ROUZTTVJRCIJHZ-UHFFFAOYSA-N 469.350 0.358 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O 524281464 YOZHPQQWIHVCFA-UHFFFAOYSA-N 466.441 0.419 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 608913129 WXOQVJMIOCRSTA-UHFFFAOYSA-N 498.542 0.753 30 20 JCED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 727008042 JSKCKJATUCGIQN-ZDUSSCGKSA-N 456.480 0.456 30 20 JCED C[C@@H](OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)C(=O)N(C)CCC#N 729626909 FVIPNIPTYAGELB-MRXNPFEDSA-N 491.570 0.831 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCS(C)(=O)=O 729671457 NQUPFTNGZDYEHA-UHFFFAOYSA-N 491.635 0.617 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CSCCS2)CC1 749403654 AQUOTQPFOLNPSD-HNNXBMFYSA-N 455.583 0.783 30 20 JCED COc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)cc1 837040255 FVISQIURGSNWLI-RDJZCZTQSA-N 487.600 0.886 30 20 JCED COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 853671270 LDZOFYGVXYPKBH-CYBMUJFWSA-N 451.501 0.459 30 20 JCED CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 853707471 JQUZXPYVBYYGAD-CQSZACIVSA-N 450.517 0.128 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 877869558 WDAMABXBHPBVHE-DOTOQJQBSA-N 458.558 0.636 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccc3)c2=O)cc1 916193701 JCSAJIBJABUXDG-UHFFFAOYSA-N 490.585 0.859 30 20 JCED CCCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918278548 BCKADSOPONOVEW-JJIBRWJFSA-N 451.549 0.861 30 20 JCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)c1 918312881 UGGFWKWXKAWAHK-UHFFFAOYSA-N 492.535 0.909 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C(C)(C)C)n2)c(=O)n1CCOC 920394681 ADHXKDRNMRPVFL-UHFFFAOYSA-N 450.586 0.576 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286629131 KIGMLSSDFTXMMB-HNNXBMFYSA-N 497.043 0.272 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 1306310346 PZDQBWHBLFFJKX-UHFFFAOYSA-N 456.480 0.550 30 20 JCED CCN(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1515719937 XITRRKUQUVWSAT-SJLPKXTDSA-N 452.629 0.795 30 20 JCED C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(=O)NC)c1ccccc1 1690324691 WZBPHKBQERIOJJ-GOSISDBHSA-N 462.576 0.897 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 1696593260 UJYNEMQQVQWHPW-UHFFFAOYSA-N 485.614 0.852 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1706078486 XRAJPTRKOOQSGD-BEFAXECRSA-N 487.586 0.541 30 20 JCED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CC1=O 1712470465 XUDAJMHDBWCPTN-KRWDZBQOSA-N 458.544 0.546 30 20 JCED CC(C)N(CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1723536297 KQGBGLXMXKATFD-RBUKOAKNSA-N 483.639 0.849 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760367288 PDPGSTYEMXHXDY-CABCVRRESA-N 460.004 0.384 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CCO2 1779019394 PAGRDVGSEWFVKT-FYWXSZBBSA-N 492.540 0.486 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2(O)CCCCC2)C3)no1 1779434215 OTCFWABNPPQMEH-HYBUGGRVSA-N 486.569 0.925 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n(-c2cccc(=O)n2C)n1 1780333926 BKBINDSCZHHMFA-DEOSSOPVSA-N 475.509 0.837 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1)N1CCN(C)CC1 1781093676 CARNVIIZXJMEQC-GSBCXDHFSA-N 460.600 0.953 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)S)C1 1782184993 IBTLQGZLZIGLFS-WOIUINJBSA-N 476.636 0.905 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1783500905 UGXOQVOOULUGGN-RSNROMBLSA-N 461.559 0.968 30 20 JCED C[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CN1C(=O)OC(C)(C)C 1783555331 IFSSZEKVZHLQSL-QZMQVMSPSA-N 463.531 0.940 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1783888298 HMNIEJAGXSFGRV-YJXLLHPSSA-N 457.593 0.753 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(C)=O)C[C@@H]21 1784784731 SKNDHCKPQIBPQC-GBBGEASQSA-N 466.579 0.960 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1784785074 VPCWPUKZQYKWRM-RZFLPCETSA-N 464.563 0.572 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784980502 KVTKNSRXTFXOSO-DKKFBQAASA-N 489.573 0.491 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788652586 IZCMLTXIVPTLKB-NMRDKZCGSA-N 459.565 0.176 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1789809293 ZJCFTQYMKCCXQG-JIFZMYKYSA-N 481.590 0.785 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOCCOC)[C@H]2C1 1789950112 RAEUWIZTXCEKSM-MLNNCEHLSA-N 484.590 0.091 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OCC)C[C@@H]21)c1ccc(O)cc1 1791333468 YNUAPKXEODWCGJ-LUEXDFBHSA-N 487.553 0.933 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3O)C[C@@H]21 1792256961 NALYRBQEJRLYDK-OWLYRPNTSA-N 473.530 0.692 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCOCCOCCOCCOC)C2 1792567684 ZYRJAHJTGZEFKI-PHCXZPCUSA-N 481.590 0.569 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2 1793340499 XREBGLCMYLEPCB-YMBXHIRXSA-N 453.539 0.663 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)C2 1793340910 RFWOFCOFSYLGMT-ROPHOZQPSA-N 482.512 0.672 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1793357691 XAGJYQZLWRYGCT-XVMXLUHGSA-N 481.590 0.785 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2cc(Br)ccc2c1=O 1793415786 VMUVMJQXJSRXON-DBWKPXFBSA-N 459.300 0.382 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)c3ccccc3C2=O)CCC1 1793862282 ZRYORDFSMIXJBZ-CWPLJXCYSA-N 450.495 0.956 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 1793869093 VAOOJZDLAXHJMZ-CWPLJXCYSA-N 450.495 0.956 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C 1795465432 XWQTWYZFNQGFII-XMTFNYHQSA-N 464.563 0.361 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797234196 ZYKGHNMQBDPRGY-JTJHWIPRSA-N 479.622 0.293 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)c1 1798695020 MBSWCIYXMAJUPJ-HBCWATKFSA-N 460.487 0.946 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1799248274 UZASMXBSJAWACR-OWVAZHOYSA-N 473.592 0.741 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1799395804 YGWVEZQBRQUKKD-UYTYNIKBSA-N 470.567 0.653 30 20 JCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c1 1799745414 GKKYCBCJPHWKDM-CWPLJXCYSA-N 464.519 0.326 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800395870 WEQROALIYPLPEV-XHVNAKISSA-N 497.614 0.623 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)C2)N(C(=O)OC(C)(C)C)C1 1800527412 GTQLVLARBRQGMI-QLCXLMDBSA-N 462.547 0.278 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778819 RXILXEJGFXNYPV-JWVYWZTKSA-N 457.483 0.227 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(N)=O)C2 1802283778 ZLDABFSCWZVPDZ-FZKCQIBNSA-N 496.565 0.098 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1803246618 MNOZWYDSXOCWIM-MMOPVJDHSA-N 484.509 0.754 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1814438445 XXECWAKTZHUDJX-LMVHVUTASA-N 452.475 0.463 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3CCc4nc(NC(=O)CN5CCNC5=N)sc4C3)c2c1 1814927559 GBSPUKZOKLCQMA-GFCCVEGCSA-N 463.527 0.957 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817272398 BCWUCZJGQPOKHR-PCXKXAPESA-N 482.632 0.952 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)cn1 1817792122 BIBUGOMTAYRJCN-MRXNPFEDSA-N 459.484 0.743 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822205651 MUXKHHGFBIAPKB-HUUCEWRRSA-N 491.501 0.946 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827987850 GYPWVGOJJNOYAB-FMFIFOJESA-N 472.527 0.184 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H](NC)C(=O)O)CCN2C(=O)OCc1ccccc1 1828989676 FSVHMNICCDPZTO-MBSDFSHPSA-N 456.499 0.134 30 20 JCED COC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332525 PXBACKJATMSBEU-DEOSSOPVSA-N 485.493 0.480 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1829763845 DWHVDEGRSHUVHJ-POUSAUBHSA-N 498.515 0.335 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cc3OC)C2)C1 1829777334 WAWNNXXAWCPZDX-WNWNSBFKSA-N 475.517 0.692 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831192264 CKTUJXRBFJXYCI-GAJHUEQPSA-N 458.515 0.308 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1ccc(F)cc1 1831218624 YGEJGIFQBCIDJO-ISKFKSNPSA-N 457.502 0.873 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1831397921 ZYGJOZMSMYNSII-CRICUBBOSA-N 479.537 0.679 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1831399255 UAIDLOCSPGXXBE-WZONZLPQSA-N 453.499 0.376 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1831407161 PMRDSKXSGVPXBX-MBSDFSHPSA-N 485.578 0.311 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)ccn3C)CC2)CC1 1833075486 RBHHLKXXYCCAGC-PLNGDYQASA-N 455.559 0.429 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834564006 ULMBQRILJLUMON-QHCPKHFHSA-N 459.547 0.689 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(C)nn3-c3cccc(=O)n3C)CC2)CC1 1834913870 SJUMAOLWJIXDMZ-UHFFFAOYSA-N 450.543 0.698 30 20 JCED CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1834944402 HFWIWJXUZSFKDC-DEOSSOPVSA-N 493.605 0.545 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1835312125 LCNNNLOMEOXWLA-QZTZHPFYSA-N 494.589 0.581 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342631 ZPTWVJKIMDWFDF-GAJHUEQPSA-N 478.546 0.382 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2 1835637330 ZJOGWNRSXWYGEK-QFIPXVFZSA-N 463.655 0.334 30 20 JCED Cn1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1C(F)(F)F 1835677352 OOYUVOVZVANEDP-FQEVSTJZSA-N 486.495 0.791 30 20 JCED C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836771122 FUDPZOADWPSUCP-YQOVMPOYSA-N 493.557 0.566 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)c4nncn4c3)CCO2)C1 1837367523 QNJKZYLBAINJFT-YCRPNKLZSA-N 461.906 0.491 30 20 JCED COc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837488646 NGOWOUHXFMAHGH-DEOSSOPVSA-N 457.527 0.859 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1ccccc1=O 1837491159 VRJKPAWTXVLPKR-CPJSRVTESA-N 471.554 0.564 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1837531751 VYZUGLNXGYENJZ-BTYRIHFPSA-N 498.540 0.866 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837547760 KHLLLJCVDYMLOF-JPYJTQIMSA-N 460.531 0.938 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)nc(OC)c3)CCO2)C1 1838228382 OCOUSYRJHMDQGH-QVKFZJNVSA-N 451.907 0.852 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838739561 ZDYPHGUXEUXONE-DGGPYNQQSA-N 467.482 0.727 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c(C#N)c1 1839131047 JKXJWQWEFQDLFH-HSZRJFAPSA-N 472.498 0.018 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839139625 OBYOPXSTNPPHPQ-MGPUTAFESA-N 461.581 0.302 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1839175191 UGFCABLOAAQMQN-HXUWFJFHSA-N 454.911 0.653 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)ccc1F 1839186755 MWYBXUBNQZATRR-HSZRJFAPSA-N 453.474 0.729 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1839227753 XMSZQMBGSCGYKO-YCRPNKLZSA-N 477.543 0.627 30 20 JCED C[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401170 CYELREPABCBUNT-YJYMSZOUSA-N 452.305 0.772 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839577990 KIYPSWDTKDLNPF-HXOBKFHXSA-N 490.582 0.769 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839860425 VCWZVHRIZFIWTQ-WZONZLPQSA-N 482.578 0.438 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839887570 IUZQWUZWCPLIHQ-IBGZPJMESA-N 456.446 0.979 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(C(=O)OCC)CC1)CCO2 1840817542 GTIYBVGNIVKFSL-DEOSSOPVSA-N 495.573 0.821 30 20 JCED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819161 SISGWJFEISULRM-JOCHJYFZSA-N 455.471 0.586 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1840820627 AXQSNSWAKSBYAE-CJAUYULYSA-N 479.537 0.922 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840851682 QFHHOMAZDQCENN-QPPBQGQZSA-N 456.543 0.862 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842087312 PGQUNLPPNDPZAK-QGZVFWFLSA-N 456.499 0.809 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1845199911 BIVWFFPKMPDVLF-AWEZNQCLSA-N 486.533 0.489 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825619 WMGKBSZOWCNVFF-INIZCTEOSA-N 487.513 0.877 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846555763 ODAIBFYOBFTNAW-QGZVFWFLSA-N 469.498 0.430 30 20 JCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 516413363 MSXSJYOFPAQAJO-UHFFFAOYSA-N 450.499 0.302 30 20 JCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cc1 522520054 DKHVOUNLSJAHQG-UHFFFAOYSA-N 463.494 0.677 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 523256775 VDYGAFJNQVSGIC-UHFFFAOYSA-N 490.541 0.798 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 523743774 LIAQJUHUCWPHRB-UHFFFAOYSA-N 475.567 1.000 30 20 JCED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 590986624 JSSZYQCYDRKKNE-UHFFFAOYSA-N 490.969 0.263 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1=O 726043251 ROBYVRHWCAUAFM-HUUCEWRRSA-N 490.488 0.576 30 20 JCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)c1 727670755 HZJVTKSWFQHZQD-UHFFFAOYSA-N 477.564 0.630 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)Nc1ccc2c(c1)OCCCO2 750125809 NIEXUPLMQDZVNJ-UHFFFAOYSA-N 488.478 0.778 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 916199597 IULJXUAZOJHRMJ-UHFFFAOYSA-N 473.551 0.707 30 20 JCED Cc1c(NC(=O)[C@H](C#N)C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(=O)n(-c2ccccc2)n1C 916960646 GQKXETYHEDVXFF-MRXNPFEDSA-N 464.482 0.996 30 20 JCED CC(C)(C)c1ncc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)s1 920396003 VJMXYSNQKNJINR-UHFFFAOYSA-N 487.651 0.950 30 20 JCED CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1301660422 JFDBKABFXXKSAU-SFHVURJKSA-N 475.575 0.583 30 20 JCED N#Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2=O)cc1 1318074992 WRHNDFUOQPWWOB-IBGZPJMESA-N 496.545 0.987 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1359084706 PHAFNAMCNBJLHA-CYBMUJFWSA-N 450.359 0.746 30 20 JCED CNS(=O)(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1465083344 SWIGYYZTSSTEDW-SFHVURJKSA-N 454.574 0.499 30 20 JCED CCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)NC)c2ccccc2c1=O 1502365102 WOCSFQZIOKXKHZ-HXUWFJFHSA-N 474.522 0.666 30 20 JCED N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)CCO1 1521122807 ZXYVFISVDBYSRT-GOSISDBHSA-N 487.948 0.839 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1618847275 OKMJXMMVQKUMJG-KRWDZBQOSA-N 473.559 0.479 30 20 JCED COC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1618887533 DPFMVAFMEWGXGJ-QAPCUYQASA-N 494.622 0.543 30 20 JCED CN(C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1711011219 UUPKQUUYVAOTPW-HNAYVOBHSA-N 457.576 0.641 30 20 JCED COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)cn1 1749852015 MGILTFXDUGUGSK-UHFFFAOYSA-N 470.559 0.790 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(NC(C)=O)cc3)C2)C1 1778249340 DKWLNXILWQEXRV-HMLKYZKVSA-N 454.527 0.876 30 20 JCED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)COc2ccccc2C#N)C3)CC1 1778851025 QBUHMIMXPKQRLY-RCZVLFRGSA-N 469.586 0.698 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1)N1CCN(C)CC1 1779423816 HTHPHDJYKDMJEG-ZWIQIFFQSA-N 479.622 0.665 30 20 JCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CNC2=O)C3)ccc1F 1780754417 UALYVAPDSPVLNJ-WZONZLPQSA-N 471.489 0.306 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c(Cl)c1 1781970105 FHEAWNPUBQMHGX-OAQYLSRUSA-N 454.874 0.858 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565728 PQUJOURPBOFIKH-HXOBKFHXSA-N 461.515 0.601 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2)NC(=O)OC(C)(C)C 1783787450 NIVUWKFFIVFSEW-MNVSYLFESA-N 459.565 0.591 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2)c1ccc(O)cc1 1784012989 QKUVIXCKLRUHEL-NVQXNPDNSA-N 468.598 0.967 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1)c1ccc(O)cc1 1784018026 DLKJTCFVQUGMOF-FPGHNAPASA-N 457.527 0.782 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CNC4=O)[C@H]3C2)c1Cl 1784952243 CTHHGDFPNDVRHP-BPUTZDHNSA-N 459.890 0.357 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)CCO2 1785429543 JFLHJGOJLHLYTD-MUEKUWCCSA-N 488.585 0.603 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1785571071 AAPZGHDQXLCEBP-FDDCHVKYSA-N 457.531 0.766 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1785578423 ZKIRXXYZGIGMEZ-OPAMFIHVSA-N 481.619 0.217 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]nnc3C)[C@H]2C1 1787188947 ZPKDQTTVYHSGRA-QAETUUGQSA-N 460.535 0.623 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1789809437 IVOJBKFQKCFLDB-LTAJLKHCSA-N 457.593 0.512 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789838747 PRXDBMYSFGSYHW-VJANTYMQSA-N 475.542 0.751 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1792257271 CLYYIECRCORASP-FJIDUMEYSA-N 460.535 0.174 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2)c1ccc(C#N)cc1 1792509459 FTDFMDCBSIGZDD-DMUMMCEESA-N 488.541 0.414 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(c2cc(OC)ncn2)CC1 1793132333 FRFGYDWNWODCRE-UYZIEWPDSA-N 471.558 0.330 30 20 JCED C[C@@](O)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)C(F)(F)F 1793693232 NLVJJMGYANIPLG-CVGJEZRXSA-N 451.405 0.951 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 1793778945 WSNAXHBTGCCKIJ-QSNWEANLSA-N 461.559 0.877 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1)c1ccc(O)cc1 1797238166 HAWXQLHOIUYUGR-IFOBJOEFSA-N 468.598 0.726 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccccc1C(=O)OCCO 1798565370 BAZSJQRGCVJLQW-ISGLXAMQSA-N 489.525 0.568 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694791 LHBMFNWDYYQJRT-NZKYLMMGSA-N 473.530 0.460 30 20 JCED CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236364 MIEGNWUYGUXJER-OPVJXMOQSA-N 491.589 0.643 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1cccc(F)c1)NC(C)=O)C2 1799305452 KGHJDHFKMWHJEL-QRICJDHISA-N 489.544 0.972 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1800980633 BUNKPRZUBLKMPE-JRVAAPGDSA-N 471.620 0.902 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)cc1C#N 1801846716 SRWNGYQGRCVYIN-CLWJZODNSA-N 469.498 0.147 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1803507564 SCMDIFMKOFSYMR-HQRMLTQVSA-N 480.587 0.925 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)cc1 1807943626 GVGCSIJOUQTKFJ-AVRDEDQJSA-N 483.492 0.642 30 20 JCED O=C(CN(CCO)CCO)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1812715266 ZZQHRTDBMLWARB-RCZVLFRGSA-N 450.539 0.426 30 20 JCED C=CCC(=O)NC[C@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1813053069 CERIHEIXPXZVFA-APWZRJJASA-N 465.514 0.111 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@@H]1c1cccnc1 1813334738 CDCWFXVOADMCRU-SAIGTISXSA-N 466.542 0.596 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1814060119 MTXJIYYJXCFYBR-FDDCHVKYSA-N 476.493 0.590 30 20 JCED C#CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[nH]n1 1815197454 QEGVNENMSKZAOT-LRDDRELGSA-N 460.516 0.905 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1819393011 CMPPQQKSDLFZBL-PZUDMAOCSA-N 455.456 0.598 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)n(C)c1=O 1823884279 OZROGDUIMZWGAZ-KRWDZBQOSA-N 483.573 0.603 30 20 JCED C#CCCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824807845 GHXQTFWRLPHNIR-VHDGCEQUSA-N 475.596 0.649 30 20 JCED CC(C)(C#N)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824809587 UWCYKBIXNAZUHH-FPMFFAJLSA-N 490.611 0.785 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828806590 XTZBBOILCJHWJI-NRFANRHFSA-N 462.528 0.397 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829306394 SQOUEKQZBFPXKY-KCPMXOJXSA-N 496.564 0.613 30 20 JCED CC[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330586 LLGPPAFGQYBYQX-WZONZLPQSA-N 457.483 0.297 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCN2C(=O)OCc1ccccc1 1829333255 FHQGENADBLNFJR-RUZDIDTESA-N 492.488 0.941 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CSCC(=O)O)CCN2C(=O)OCc1ccccc1 1829360599 LNCMVECBHQAVKA-QFIPXVFZSA-N 459.524 0.890 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(OC)cc3)C2)C1 1829765028 FEAWHRZSLCASJQ-WNFFGTKGSA-N 471.554 0.943 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1830465415 HFWRVCCTEKQBPI-JOCHJYFZSA-N 456.886 0.957 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C1)C2 1831221560 RWIMEPGQIHFMAZ-UQBPGWFLSA-N 484.553 0.492 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1831401716 FTQBWWBWYDPATP-VTJXTGGHSA-N 484.475 0.638 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1831427986 WRVTZQASJZAKPP-FDDCHVKYSA-N 455.515 0.928 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831673488 QRLZOJHLDYQRJP-ZWKOTPCHSA-N 465.547 0.970 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1 1831997734 FPYLKPWDMIKZEE-WZONZLPQSA-N 485.578 0.575 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN)CCO2)C1 1835551857 YZQBTIWVBXLUJE-JTSKRJEESA-N 452.552 0.098 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1835677420 QRFPBAIUJYRMQX-QFIPXVFZSA-N 455.519 0.081 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)s1 1836079885 BDOCQCMKVCSFPN-QFIPXVFZSA-N 462.572 0.544 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)cc1C#N 1836151545 GOUAHGPYKJJLGE-JOCHJYFZSA-N 469.502 0.102 30 20 JCED N#Cc1ccc(F)c(C(=O)NC2CCN(C3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c1 1836464212 ITJRMQDVYXTNOH-LJQANCHMSA-N 470.505 0.481 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)CCO2 1836687409 KRGRJXRYWQCUST-DHLKQENFSA-N 455.555 0.757 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1 1837275236 ODHUTXNTZNNUHS-JOCHJYFZSA-N 453.503 0.270 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1837392064 ZFHOWUSIZQLTKS-QQMNAOGKSA-N 469.579 0.929 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1837393115 KIGVWVMPCIRPMR-IIBYNOLFSA-N 452.577 0.809 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C2)C1 1837396757 JKTKEJCSTHZLEL-GBXCKJPGSA-N 494.610 0.798 30 20 JCED NC(=O)c1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445057 ANOKHJOGFLSBQI-HBAGGBEISA-N 457.531 0.327 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1837446775 OUQRTUKOTREHHH-IGPUNGKJSA-N 475.502 0.842 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486742 NGDMMDNORGLNFI-XMMPIXPASA-N 463.575 0.304 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C#CC1(O)CCCCC1)CCO2 1837490861 SDGKZCOMNJQZGL-SANMLTNESA-N 472.582 0.840 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837502714 MUARXXRXUANGSD-OFNKIYASSA-N 491.472 0.262 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)ccn1 1837977310 CJHRKVVZZWAXEB-REWVYZQPSA-N 462.503 0.689 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccnc4OC)C3)C2)c1 1838580488 GFSHDDKLAVOKCU-QHCPKHFHSA-N 467.482 0.749 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044045 IQFXQYRDVGBJJH-UWJYYQICSA-N 482.628 0.302 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1839175082 OPRHTYYTSHNSMX-JOCHJYFZSA-N 457.487 0.537 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1839175226 WBFYUUAUETXDGG-NRFANRHFSA-N 475.527 0.666 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1839223070 LCIOORWYWJJYDN-HRAATJIYSA-N 451.524 0.993 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044313 CLLKESVEZPZEBL-XZOQPEGZSA-N 497.520 0.270 30 20 JCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044884 FLXMWGUCJYWVDW-HKARXFIJSA-N 479.530 0.224 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)C1 1840147528 WUWXOFILYMCZHY-OVFAMLIDSA-N 495.573 0.951 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1840170897 BVWMYSDRKNJZBN-NTKDMRAZSA-N 479.574 0.882 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840170970 GRIWJCIZCWZRLW-VWLOTQADSA-N 492.617 0.799 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251561 LRLRTWDDXFBKCR-FDDCHVKYSA-N 490.561 0.300 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1840772710 KUDFSZSGFDENRB-KSFYIVLOSA-N 484.546 0.890 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1840906948 MUNQMEUYJQCNBX-CYFREDJKSA-N 488.541 0.774 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1c(I)cnn1C)C2 1841600095 FRTRBMXOUWWWAW-GFCCVEGCSA-N 456.284 0.880 30 20 JCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2 1846197410 HRBUNETWPPZSJD-ROUUACIJSA-N 455.467 0.050 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C1 1846301731 OZDKAMHYCZFILE-JKSUJKDBSA-N 486.635 0.943 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848068384 HRMUHOYTMRHCHZ-IKGGRYGDSA-N 475.546 0.437 30 20 JCED CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2cc(C(=O)OC)cc(C#N)c2=O)CC1 31806619 JHNAFSHMBOMTBL-UHFFFAOYSA-N 465.510 0.852 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C 480153805 OEOPVWKHTCIJNS-UHFFFAOYSA-N 461.540 0.518 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)cc1 484262754 BVIZBWIPPPCHNC-MRXNPFEDSA-N 454.599 0.969 30 20 JCED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 514342312 OZTGFHRZBURODV-IBGZPJMESA-N 496.703 0.916 30 20 JCED CCCCN(C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O)c1c(O)nc(=O)n(Cc2ccccc2)c1N 514434734 WVAQLMJWYUGAMA-UHFFFAOYSA-N 493.524 0.628 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)cc1 518665878 UZIWGPZTRFITQO-MRXNPFEDSA-N 491.522 0.716 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCNS(C)(=O)=O 524281265 OCDLKOYZUGHSCC-UHFFFAOYSA-N 462.597 0.105 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 604270078 DCZIDFRQCSXAKV-UHFFFAOYSA-N 452.536 0.058 30 20 JCED CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 726539349 GCKJALMCMYHDOW-UHFFFAOYSA-N 478.571 0.765 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1 729256897 LVQSILBSPZWSFL-UHFFFAOYSA-N 450.536 0.508 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)c(F)c2)c1=O 729671662 UDMCHTBHEWMCQV-UHFFFAOYSA-N 499.973 0.109 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCS(C)(=O)=O 729672687 BYEOEGTUXFODNJ-UHFFFAOYSA-N 493.607 0.007 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 749380352 UJTNPLKODLUCJP-UHFFFAOYSA-N 459.572 0.922 30 20 JCED Cn1ncc2c(N3CCN(C(=O)CN4C(=O)N[C@](C)(c5cccc(C#N)c5)C4=O)CC3)ncnc21 750964208 ZIMGGOCVQUPYEX-HSZRJFAPSA-N 473.497 0.351 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)sc(=Cc2ccnn2C)c1=O 914565057 RKJXPNFHVYTPHA-UHFFFAOYSA-N 478.578 0.142 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 920395644 YUUQDUOKBAMIEJ-UHFFFAOYSA-N 486.506 0.361 30 20 JCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1296295066 YTKMNLZWMMZUGA-KBXCAEBGSA-N 458.544 0.887 30 20 JCED CCNC(=O)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCC1 1515975003 USABUHHLLQYDLD-DOTOQJQBSA-N 478.623 0.371 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1517022871 JGNRZJCGSNGZNO-HXUWFJFHSA-N 474.522 0.525 30 20 JCED CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N1CCOCC1 1603683179 NYMOWVBZKWDVKN-QGZVFWFLSA-N 453.551 0.712 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1631778051 SXXJHPPDBRCEDX-GOEBONIOSA-N 456.590 0.632 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1692784623 OJLGJUYXDZFLNQ-KBXCAEBGSA-N 458.610 0.843 30 20 JCED CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1706027640 WPRYZOYLUJLRMK-LJQANCHMSA-N 467.530 0.692 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@H](CC)C1 1749269067 MIOPQDVIENPFON-SJORKVTESA-N 477.031 0.911 30 20 JCED CC(C)CCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCS(=O)(=O)C1 1761078347 UATORCQNPKKJKO-HXUWFJFHSA-N 452.581 0.716 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CC2CCS(=O)(=O)CC2)C1 1771361289 KOSKQBPYBNFNNW-KRWDZBQOSA-N 486.620 0.176 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1778920929 IDTFRDZNZXOJAX-DMPWYTOCSA-N 484.550 0.003 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1778971090 HIOPWOBWUWCQSE-LAUBAEHRSA-N 457.593 0.061 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)COc2ccccc2C#N)CCO3)no1 1779125120 OEDKGCBHCBPRFT-HSZRJFAPSA-N 467.482 0.493 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](COC)NC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1779318806 NWBURAJGHUOLIS-YDIMBITNSA-N 494.589 0.533 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337834 LOOILQCAQAOBNO-QFIPXVFZSA-N 464.519 0.026 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782191951 CDWXXHZEXLWXOV-SPLOXXLWSA-N 474.543 0.206 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1)c1cccs1 1782674581 MSVJFWMZJVTNOL-YIEJHSOVSA-N 458.496 0.892 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783614356 XJJDKBMJKUXDNI-REYXVDKWSA-N 481.590 0.760 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1783787581 QSVAQXWPLCBNPL-HOZJOUCCSA-N 497.589 0.846 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[C@H]2C1 1784604447 LJUYBCSAHAOQOI-ATIWLJMLSA-N 464.563 0.394 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN(C)C(=O)C(=O)O)CCO3)C2)cc1C#N 1785198027 RFSZFXQYXPXAEO-QHCPKHFHSA-N 472.498 0.332 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)NC(=O)OC(C)(C)C 1785304977 KEOJLYYNZCTEOX-JLHGSKIFSA-N 452.552 0.810 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1785334024 DYFLDXOWKACKBP-ICTHTSFCSA-N 450.536 0.590 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(C)(C)O 1785611017 KEZGNTFZNPVZGE-IVZQSRNASA-N 450.536 0.784 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1 1787395260 DNAIVXPTXHMKBG-ATIWLJMLSA-N 470.567 0.653 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)no1 1788631204 BPIVBMIQMLGDAC-FHWLQOOXSA-N 472.542 0.990 30 20 JCED NC(=O)c1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788656209 KUBXSQCXRWGEOA-ZKHFINFJSA-N 459.503 0.303 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788679837 SYTPEIKZQMNCOX-DKIMBUIQSA-N 492.573 0.954 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1788774413 SPNJELYYIIHCSF-UFGARGMJSA-N 463.556 0.618 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(C)=O)[C@H]2C1 1790874633 JYXYIPMWTRYZDC-JIWZOFCXSA-N 478.590 0.962 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C[C@@H]21 1791072377 GYJSXPSIHQTEBZ-LAQRGFTBSA-N 459.524 0.164 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccn(C)n3)C[C@@H]21 1792258219 YTEHOWNQBQETEF-LEAZDLGRSA-N 473.574 0.859 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)nc1 1794427334 GDLQDPYZXGWZJO-FAQVEIGNSA-N 486.525 0.942 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795527767 AYHMJQSESBWBDF-RCLSDMTESA-N 471.558 0.542 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1796393118 QFPBIQPQCLNACA-RCLSDMTESA-N 493.601 0.814 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796445889 CMXVBPIQVNHCIN-AZCYPCNMSA-N 478.523 0.571 30 20 JCED Cn1ncc(I)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1796747367 LPPRFEUBYMEDPO-DABQJJPHSA-N 483.310 0.922 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1797812337 QRCIISBMJQHVBT-WXKQYWHFSA-N 470.482 0.554 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1799248248 UFGRVORYRBXOQR-RCJHGTSTSA-N 466.535 0.726 30 20 JCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C(F)(F)F 1800551941 SKCMIYICAHEXLN-FQLMCAECSA-N 465.469 0.970 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cscn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800781221 POUCMOFOZMDLIX-QHHYFVSCSA-N 492.554 0.257 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C2 1800990076 XJWUJPAKARNYNG-FLTUCWPJSA-N 476.020 0.916 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2)c1ccc(O)cc1 1801053926 UVVHNAHGDQQICY-IFOBJOEFSA-N 468.598 0.726 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)c3ccccc3C2=O)[C@H]1c1cccnc1 1804229820 ROUKMCSJXQIWIP-GAJHUEQPSA-N 474.473 0.862 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1812878369 UTYFIEHZJICZCZ-WIRSXHRWSA-N 486.525 0.403 30 20 JCED NC(=O)[C@H](N)CCC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819899426 VOCATNOZVCGULW-YQCSNNAMSA-N 452.537 0.177 30 20 JCED COCCOCCOCCOCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822206677 ZWNUBXORSYSAQY-QGZVFWFLSA-N 466.491 0.186 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cc1ccc(F)c(C#N)c1)CC2)C(=O)C(=O)O 1824673848 QMXYLARPFYCFSC-CYBMUJFWSA-N 473.486 0.852 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CNC(=N)N)C3)C2)c1 1829181200 CXZBYCHOIMOAPD-XMMPIXPASA-N 492.540 0.435 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cocn3)C2)C1 1829332546 RPAYVOBFPRSBFJ-QHCPKHFHSA-N 466.450 0.828 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(F)ccc3OC)C2)C1 1829773326 HBQWWPWAJRTCCI-WNWNSBFKSA-N 475.517 0.692 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1O 1830245305 SKIFZNNMNRENSW-DEOSSOPVSA-N 474.558 0.682 30 20 JCED CC(C)(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1830782339 VVNHPIPCEKXQOB-JOCHJYFZSA-N 467.519 0.224 30 20 JCED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(=O)c1ccccc1 1831147328 DZHZKWMGAMBZGN-DEOSSOPVSA-N 465.510 0.729 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1831392932 RCYJSWLNROOLNR-QVKFZJNVSA-N 462.459 0.107 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)OC)C2)C1 1831433041 DSYHWSUCGDTLTQ-ISJRUSPKSA-N 450.532 0.789 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOC)C2)C1 1831998670 QNLWZMYIEZHUEB-VGOFRKELSA-N 455.552 0.949 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1832000137 HWNGYKJPNPNOEJ-WVMBUTMQSA-N 496.605 0.779 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)CCO3)C1 1833024796 XRZJQPQDSYLRCW-NPMXOYFQSA-N 458.515 0.415 30 20 JCED N[C@@H](Cc1cscn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098774 PSDWECBPDSLLSR-NZQKXSOJSA-N 454.552 0.521 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4Cc5[nH]nc(C(F)(F)F)c5C4)C3)C2)CC1 1835346898 YVZNFGRPJOIEFH-XCLFUZPHSA-N 467.448 0.903 30 20 JCED CC(C)(C)OC(=O)N1CC(C)(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1835496020 FUSQSHBHRXZQRZ-UHFFFAOYSA-N 476.574 0.903 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1835674813 QKDKNPQEAZWAAT-HSZRJFAPSA-N 454.531 0.915 30 20 JCED Cc1ccc(C(=O)C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835682925 YKFALIDCSQOHET-DEOSSOPVSA-N 456.543 0.916 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836165739 AQAVIHWTCNFNPF-WZONZLPQSA-N 477.562 0.809 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)C#CC3CC3)CC2)CC1 1836826446 WEJHRWMMNNKRDV-JOCHJYFZSA-N 455.559 0.869 30 20 JCED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)ccc1F 1837076671 HCGXGVQOAULXPU-UHFFFAOYSA-N 485.516 0.790 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCc3[nH]cnc3C)CCO2)C1 1837330623 QUTRPONXVSKFSF-XMSQKQJNSA-N 466.604 0.981 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1837489301 COQVNSYZFCCUJM-DEOSSOPVSA-N 483.525 0.204 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1ccccc1=O 1837491163 VRJKPAWTXVLPKR-NBGIEHNGSA-N 471.554 0.564 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1837527513 OQOIXTJXKWJFNF-YNMPAXSUSA-N 498.540 0.866 30 20 JCED CN(CC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C(=O)c1ccccc1 1837560216 TVCJSZYVQFOKFQ-MDQJKVKYSA-N 482.537 0.927 30 20 JCED O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567721 UUTZYEPKIVABHR-AZSSXPMASA-N 485.493 0.985 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1I)CCO2 1837963674 XIOCYCZGPHGHCO-KRWDZBQOSA-N 472.283 0.498 30 20 JCED COc1nc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838173364 DVOKELKRBLKDPR-HSZRJFAPSA-N 459.547 0.751 30 20 JCED Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1Cl 1838307970 FHEOKTBAZIRAPV-WFIYKGMKSA-N 469.926 0.673 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)cn2[nH]cnc(=O)c12 1838471205 JYJKVMNCCWRXOH-VWLOTQADSA-N 490.520 0.781 30 20 JCED COc1ccc2[nH]cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)c2n1 1838488015 UZJRKKRCUPFPQI-DEOSSOPVSA-N 484.557 0.923 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)N4C[C@H]5C[C@H]5C4)C3)C2)c1 1838582472 OCYXPFLDAPVHRR-DUHPJZPXSA-N 468.554 0.977 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906614 UQQBUXWJPWJYDV-XMMPIXPASA-N 498.561 0.882 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839107760 WXUVMPGBRGJBFO-DENIHFKCSA-N 465.595 0.024 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1839175786 FZYMVUNTGUWLTE-SBUREZEXSA-N 460.531 0.480 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1839184779 CNHRYXGQCVFPMN-GAJHUEQPSA-N 492.577 0.745 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)cc1 1839361509 OZCMRHJEVNASBQ-QFIPXVFZSA-N 468.470 0.628 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839414191 QWKBNLOYQWZXSU-NOIVPASESA-N 492.485 0.899 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C)cc(C#N)c4)CCO3)C2)n(C)n1 1839451323 MUJANSIIPODUOS-HSZRJFAPSA-N 453.499 0.993 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488912 KGBIABUCWLQRGU-DEOSSOPVSA-N 476.493 0.517 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839513695 XNTUJEPLBIOQMB-MHECFPHRSA-N 470.526 0.979 30 20 JCED CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840040061 HKKXXWXUBIQXKP-JOCHJYFZSA-N 497.520 0.270 30 20 JCED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840040886 CLGROOHRQCUGAV-SAHWJRBASA-N 477.514 0.000 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1840163107 DDUDYSNFIQLCOG-ORAYPTAESA-N 460.549 0.618 30 20 JCED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n[nH]1 1840818763 WLXNHKKTERQTCF-HSZRJFAPSA-N 467.482 0.633 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820428 OTWFQHFYLMRFIY-XZOQPEGZSA-N 475.498 0.009 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3oncc3C)C2)C1 1840909176 NXYMBTHEJAASBF-SBUREZEXSA-N 476.530 0.970 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C2CCN(c3cc(OC)ncn3)CC2)C1 1841459203 QDUCEXARRXIIFK-WAYWQWQTSA-N 468.558 0.763 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542812 DBEPIWYAQGHDRC-KRWDZBQOSA-N 467.588 0.931 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842304979 BETBGIPLMTXEKQ-SFHVURJKSA-N 455.559 0.798 30 20 JCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2ncn3c2CNS(=O)(=O)c2ccccc2-3)C1 1844623698 UTEIPYHPZQTSSS-CYBMUJFWSA-N 461.569 0.800 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCN(C)C)C2 1846366058 OFGJQNPXJWRPJD-KRWDZBQOSA-N 481.594 0.947 30 20 JCED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1847264743 WFAMQBGQEVFOIM-HOTGVXAUSA-N 456.547 0.628 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccccc2C#N)CC1 9802772 XSIZGLSVGJRTFC-UHFFFAOYSA-N 462.484 0.618 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)CC1 30937579 FUHJFXACHWYRSM-UHFFFAOYSA-N 482.566 0.768 30 20 JCED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(OCCOC)cc2)c1=O 501261342 WPPVNAFVDHSZML-SFHVURJKSA-N 457.552 0.753 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCCC(=O)OC 501764488 IPNZUJWSSKWFOB-UHFFFAOYSA-N 481.933 0.921 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2Cl)c1=O 501777297 SMMXFLKMIIGXIG-UHFFFAOYSA-N 475.954 0.878 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c1=O 523090164 CWXPAWCNKJUGSB-OAHLLOKOSA-N 487.578 0.544 30 20 JCED CSCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)s2)c1=O 590996594 IDSLQQKRGPVUHA-UHFFFAOYSA-N 492.692 0.984 30 20 JCED Cn1nc(Br)c2c(=O)n(CC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cnc21 727092246 NSWYGXUYKFMDHU-UHFFFAOYSA-N 457.292 0.508 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCS(C)(=O)=O 729673513 SXPINSOVKPGTOG-UHFFFAOYSA-N 483.637 0.370 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc3cccnc23)c1=O 818226115 ZSPMHQAUTHCFIK-UHFFFAOYSA-N 493.589 0.056 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O 828091650 UAXIEJBIGVJIKL-JKSUJKDBSA-N 464.544 0.694 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)c(C)c1 838957371 VTEIEGFRDCZSNN-UHFFFAOYSA-N 492.605 0.201 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(C(=O)C(=O)NC4CC4)CC3)nc12 917468944 MEFHWAYHLXZZFP-UHFFFAOYSA-N 467.555 0.746 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 919225801 ATPRKWUWRLRJKP-ZDUSSCGKSA-N 485.515 0.282 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(O)CCSC1 1303403190 VFUVKWQETPUHAP-NRFANRHFSA-N 456.576 0.878 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1541927405 JOELBKCGKWUNRG-HNAYVOBHSA-N 456.592 0.356 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCSC2)C1 1555813816 SQFPTGLKYLOGGI-OAGGEKHMSA-N 456.594 0.483 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccn(C)n2)c1 1617706283 RMOBRGDMHJHWPJ-GOSISDBHSA-N 470.559 0.900 30 20 JCED Cc1cccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1649557299 QJXSXEYWKVFPMJ-QZTJIDSGSA-N 458.544 0.647 30 20 JCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C2 1654979930 XMKKUOCFFXDZPQ-UHFFFAOYSA-N 458.422 0.228 30 20 JCED CO[C@@H]1COCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1712099715 WDLQVUFVXKEUFL-IPMKNSEASA-N 482.607 0.793 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1729344176 ZNWIXQCXWBILJB-IBGZPJMESA-N 473.603 0.867 30 20 JCED CC1CCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1750076213 LVWDOXCMZDTCTG-MSOLQXFVSA-N 453.613 0.939 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778899300 MNWGKISJWIPPQT-VBKZILBWSA-N 491.463 0.838 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](O)N3CCOCC3)C2)c1 1779416572 WWLKXFOAECBCIA-FGCOXFRFSA-N 456.543 0.645 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)C[C@H]1CO2 1780611000 ZOUOVCGYSFPUIZ-GVAOLFSASA-N 491.541 0.367 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1783182508 WOBOZJZQGVZOGP-LBUQITIBSA-N 452.552 0.810 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C[C@@H]21 1783530579 HTVZODJQGIRQLV-VZXJJPFKSA-N 470.526 0.595 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1783770770 DDPQGZXLVNOHTR-XARZLDAJSA-N 483.562 0.902 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1)c1ccc(O)cc1 1784017833 UJGBBKJAJMIYGW-ROMRWMGNSA-N 468.510 0.317 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1785327227 FDLOYOPCNVKRJC-XMMPIXPASA-N 455.559 0.918 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cc(C)c(O)nc4=O)C3)C2)c1 1785354373 PJQYMQHNSVYFPO-HSZRJFAPSA-N 467.482 0.281 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786698714 USJPCDDNBVKGPZ-LUKYLMHMSA-N 478.546 0.726 30 20 JCED COc1cc(OC)c(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1F 1786768214 CAXBEMMEUZQIDG-HUBLWGQQSA-N 452.410 0.663 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncn3)[C@H]2C1 1787570350 WEIPEHTZHVHTHF-CAMMJAKZSA-N 457.531 0.987 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)C[C@@H]21 1788474112 WOBZTWGICFYTBV-FJXLLPKBSA-N 464.906 0.869 30 20 JCED CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788653123 VESSRUIBXXFOJM-HMMUTEMRSA-N 452.537 0.702 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)n4)C[C@@H]32)c1 1789257433 CNWNGQVMIXVHIA-OWQGQXMQSA-N 453.455 0.675 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789841563 WZZPQRLKMPJCRJ-OQRYQMPQSA-N 454.527 0.780 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccc(O)nn4)C[C@@H]32)c(C#N)c1 1789843471 NOMUBPMQCICPNQ-VDGAXYAQSA-N 481.509 0.664 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21 1791544162 UBEPEEAUOGYISC-IITNATTFSA-N 478.553 0.931 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 1792255666 UIYCPVHDOQITTM-FFGOWVMKSA-N 486.569 0.895 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(c2cc(OC)ncn2)CC1 1793133872 AKLKQNKDWJZFKX-WEMPKCCASA-N 487.601 0.864 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793435938 KJSZHBIFRATNEI-RPUYLAQPSA-N 450.536 0.004 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794213857 UAGCXOXOROCYSV-QRJUGERDSA-N 461.519 0.139 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nncn2c1 1797466007 WNHXIUPNOAAPMR-DMUMMCEESA-N 482.541 0.849 30 20 JCED C[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CN1C(=O)OC(C)(C)C 1800774312 IQYKWSUWZZFOBR-XFEYQPKCSA-N 463.531 0.700 30 20 JCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc(Br)cc1[N+](=O)[O-] 1800779412 ANCJWRIXAJQARX-KSPBDQMDSA-N 480.271 0.957 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2)NC(=O)OC(C)(C)C 1801931154 KOMURCLTPHPWEU-QOSLBHJFSA-N 481.594 0.028 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)C)C2 1802127416 OVXKPQIKASYYKE-DMUMMCEESA-N 450.580 0.881 30 20 JCED COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cc1 1802231069 SYPSDJAOCOPNFV-KNUYXBTBSA-N 489.525 0.971 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1803563209 IZORTUUUMQMLGQ-YFVAEKQCSA-N 464.588 0.409 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806077554 GHIFMMDRFKENMO-SYNHAJSKSA-N 450.499 0.379 30 20 JCED Cc1nccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n1 1829332776 YLNBWQRWIPLPSV-RUZDIDTESA-N 491.504 0.939 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3C)C2)C1 1829764814 WUXRXPQNSPNMEF-RHNBBQDISA-N 482.581 0.358 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1830054374 PBKDMEYXKNZUES-HSZRJFAPSA-N 457.531 0.538 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccc(OC)cc1)CCO2 1830217784 TVUPGBQQAUIJTH-XUZZJYLKSA-N 476.526 0.694 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO3)C1 1830569394 WGLLCZUZJMWAAC-VGSWGCGISA-N 453.536 0.295 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]3C[C@H]3N1C(=O)OC(C)(C)C)CCO2 1830748433 NDUMCWJFQAKLRU-CLLPOLLNSA-N 491.585 0.879 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1831391771 GMKIURQLGFMRKS-WZONZLPQSA-N 455.515 0.454 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1831404503 PSDSEINYUAUTOI-MHECFPHRSA-N 474.510 0.347 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1831425375 CSDLJEVNPCFJOP-MQNAVGNWSA-N 459.499 0.769 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2ccc(C)n2)CCO3)c(C#N)c1 1833091863 PPJBIRNAOFKFTC-XMMPIXPASA-N 467.526 0.771 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833570990 ZXOBNGOFYPKSOE-PXYXSCDOSA-N 464.498 0.324 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c(C)c3F)CCO2)C1 1833676198 KNDFASSKBSISFK-QMHKHESXSA-N 493.536 0.844 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1833724350 QUOHRSRDPIWVEK-DEOSSOPVSA-N 484.557 0.028 30 20 JCED CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)o1 1833901589 AKCYASLZWBRVST-HSZRJFAPSA-N 479.497 0.872 30 20 JCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835112603 SCAALBNFWLVVQO-ACJLOTCBSA-N 471.587 0.874 30 20 JCED Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c(-n2nccn2)c1 1835345426 MIUFGXDTKSUXTG-QHCPKHFHSA-N 450.499 0.950 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)CC2)CC1 1835356541 CFFXQNLMCVCOJJ-VWLOTQADSA-N 489.617 0.469 30 20 JCED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)CC1 1835511201 NQUCEZNQWXOSFR-LGUFXXKBSA-N 489.665 0.194 30 20 JCED CC[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)N(CC)CC 1835674698 FCAOEQGYOJPLGH-XXBNENTESA-N 451.612 0.845 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1835675004 UCUVLYBHWLDSDZ-DVECYGJZSA-N 455.559 0.934 30 20 JCED CN1Cc2ccccc2C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675522 UJASZEQFUFBXRO-BKMJKUGQSA-N 483.613 0.781 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835677293 LRMIZMUKEPQTBN-QFIPXVFZSA-N 490.517 0.350 30 20 JCED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836051595 QPBSBMRNKIGPKG-UHFFFAOYSA-N 450.490 0.972 30 20 JCED Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c1 1836203306 YMCKAEDUUNKCRO-QHCPKHFHSA-N 463.498 0.710 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836986388 SVSLICHTEALEHM-FPHRNUPISA-N 471.514 0.933 30 20 JCED CN1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCCC#C[Si](C)(C)C)CCO3)C2)CC1 1837430709 ZYWHSWLRKDGXIA-XMMPIXPASA-N 478.710 0.741 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837446966 SFVRYXYASLMQTI-XMHVBLFMSA-N 455.519 0.500 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527520 OYEHWEFXKZZPFO-GPDGIRHFSA-N 465.551 0.254 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(=O)Nc2cccnc2)CCO3)c1 1837626888 LDEPFYKQQDKABM-VWLOTQADSA-N 477.521 0.981 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837640937 VGWMDCPTQDFQSR-FDDCHVKYSA-N 452.515 0.485 30 20 JCED Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1838099441 KMRCFTXITBWAQW-QHCPKHFHSA-N 451.483 0.806 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838415014 VQGLMALATHEQLM-VFNWGFHPSA-N 462.528 0.417 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OCCCO)cc3)CCO2)C1 1838546236 BXMXMYCWAUKNOO-RUZDIDTESA-N 488.585 0.800 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595710 ZCWWCYQEPOXFOZ-BTYIYWSLSA-N 483.974 0.962 30 20 JCED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)c(C)n2n1 1838737402 SKELZLVGTMKHIZ-JOCHJYFZSA-N 464.486 0.325 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)ccc1F 1839186180 FDKOGKGXYNJPTO-XMMPIXPASA-N 484.484 0.719 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2)NC(=O)OC(C)(C)C 1839239519 YMFQOTRLWDRNBF-WZONZLPQSA-N 492.577 0.594 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c1 1839420042 JHHANRKWHGJOAP-QFIPXVFZSA-N 456.430 0.480 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c1 1839453033 KMWPYMDQEGWLOU-RUZDIDTESA-N 488.504 0.653 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cc([N+](=O)[O-])c1OC 1839472018 XHUYYOHVERXGPD-NRFANRHFSA-N 462.459 0.986 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3c(Br)cc(F)cn3n1)CCO2 1839621011 XLTSDAUZPNFQEF-GOSISDBHSA-N 481.282 0.615 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839652416 DEZUVEYTRROBHH-JOCHJYFZSA-N 459.572 0.041 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839988183 ZVKLRFNSYAPDAB-JBMWNJKUSA-N 464.519 0.680 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c(-c5cccs5)ccnc34)C2)C1 1840042003 UUUCOWDFPCXHRF-HSZRJFAPSA-N 495.517 0.616 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)c(O)n1 1840104445 QVKFJYBLXHKTHL-VWLOTQADSA-N 486.569 0.988 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c(C(F)(F)F)n1 1840229956 UWTXGAZVBVUYNL-LHSJRXKWSA-N 495.458 0.568 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)COCCO)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251820 ZTUNZQMQWUTYJE-MBSDFSHPSA-N 483.562 0.017 30 20 JCED CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)OCC 1840281697 JCDALZWCSPLMFU-XMMPIXPASA-N 466.575 0.931 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Sc1ccccn1)CCO2 1840390038 SEDBEANOUMBEBG-QDFBPKLPSA-N 474.583 0.877 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)n1cnnn1 1840476888 SUWKYEQMAAGUMC-SQBHOSFOSA-N 460.516 0.191 30 20 JCED Cn1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn1 1840820957 SHTNREVIWPBSGM-HSZRJFAPSA-N 453.499 0.370 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1840908517 BZAFTUVMJDSMBU-MHECFPHRSA-N 488.541 0.774 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)c1nccnc1C(N)=O)C2)C(C)(C)S 1846301801 XTERGMSRPYLKKI-OAHLLOKOSA-N 492.602 0.994 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 24358021 VZMPGQUEXUVBTM-HNNXBMFYSA-N 452.533 0.570 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 32717816 KKQMJHBRPZWFFV-UHFFFAOYSA-N 493.611 0.428 30 20 JCED N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cn1 509649326 HLRJRKFNCXNDTC-CQSZACIVSA-N 456.527 0.219 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)C1=O 522246317 QFGZUGYNBRIIKI-UHFFFAOYSA-N 461.450 0.402 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 523257210 LTSGJJVQWLJBSM-UHFFFAOYSA-N 478.530 0.272 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1-c1cnn(CC)c1 523860159 WVUHRRNAKMUTBY-UHFFFAOYSA-N 479.518 0.658 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCCSC 603997909 AHNJGXYMFDMZCJ-UHFFFAOYSA-N 459.593 0.863 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 608828046 CYILDVNAJFIWDE-UHFFFAOYSA-N 476.558 0.880 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCNS(C)(=O)=O 608912071 BNJVDTICEKHMII-UHFFFAOYSA-N 485.591 0.036 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(=O)N(C)C 609351117 MXYOJMCYDMTWMF-UHFFFAOYSA-N 478.521 0.322 30 20 JCED CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 743433758 JPVYTJMTJWJTKX-KGWRKDBXSA-N 463.560 0.813 30 20 JCED C#CCN1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 745362557 SMWLZOXPRLLLLB-UHFFFAOYSA-N 476.599 0.828 30 20 JCED C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)ccc2c1=O 750656895 ODBHJVCQZWPZGS-SJORKVTESA-N 464.569 0.099 30 20 JCED Cc1cc(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(C)n1[C@H]1CCS(=O)(=O)C1 821694130 UUNIHPHNOUKXEJ-HNNXBMFYSA-N 493.563 0.929 30 20 JCED COCCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 849194679 APNXDXURHBRKOL-INIZCTEOSA-N 471.601 0.948 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1Cl 919727402 RMDSFJRDBHDGOT-AWEZNQCLSA-N 467.978 0.035 30 20 JCED N#Cc1ccc(OCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1Br 1472498973 USXWVJCLDQKQMH-JKSUJKDBSA-N 458.334 0.002 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1 1503462373 QJDGCLBAWWCKNE-IBGZPJMESA-N 490.586 0.661 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCOCC1 1541804472 WROPQLLFINWCBV-HOTGVXAUSA-N 456.569 0.281 30 20 JCED CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1555799864 YKXNFFJYKKHZLF-UHFFFAOYSA-N 478.600 0.866 30 20 JCED COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1621629389 SYQOFUARLZHHLO-ZWKOTPCHSA-N 455.558 0.926 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690220423 YEBAOXGDMVEJIH-DGCLKSJQSA-N 476.401 0.837 30 20 JCED C[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1693858898 RJNQDDWWIFSRCQ-WCXIOVBPSA-N 454.553 0.012 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1706865451 AMHXASJPPVSANC-CABCVRRESA-N 458.610 0.843 30 20 JCED COCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712420795 UXSXFEHMYYSKMY-UHFFFAOYSA-N 455.567 0.588 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)[C@@H](C)C1 1741055767 QOKFYWJLZJOEIA-KRWDZBQOSA-N 487.586 0.821 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1761271377 OSQUGRMBTWGABQ-LJQANCHMSA-N 459.576 0.665 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1767253480 MYGDEIAHWCMTEA-INIZCTEOSA-N 452.562 0.379 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779364176 HLNNYUQBYGINGI-KYRWQVTMSA-N 480.562 0.467 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780181095 PCAIKZZNUVXRAV-RADWXHQJSA-N 461.519 0.857 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1781089357 JZQMHTBRHZYZDF-IPPNXFFKSA-N 498.552 0.980 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@](C)(NC(C)=O)c3ccccc3F)C2)C1 1781414481 SWCSJWKPYVYSOF-QVVVXBCPSA-N 486.544 0.865 30 20 JCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2 1781696080 ILVFTFLLHOLFNR-UPUUWEMXSA-N 469.538 0.906 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5nc[nH]c5[N+](=O)[O-])CCO4)C3)c2c1 1782196056 QWZIAIHRMKXYPN-HXUWFJFHSA-N 450.415 0.823 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1)c1ccccc1 1783257947 JRTPDJYNDQLHRI-WIOPSUGQSA-N 457.571 0.300 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783451898 FPWZSPQWJUJCCB-UZUQRXQVSA-N 490.557 0.620 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2F)[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567394 MVXNQNXCAHXUGP-VILXRURSSA-N 479.505 0.640 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783644370 YMKGWHGRCZFOFM-NWVWQQAFSA-N 461.559 0.990 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)[C@H]2C1 1783847105 ZVQIAFMCRUIXQC-OLAQMGEPSA-N 473.570 0.737 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1784785417 GGOMBRLDIVXQNA-HJWJTTGWSA-N 491.545 0.951 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)CCO2 1785426364 WIDKHDUHJQDWJP-UUOWRZLLSA-N 492.621 0.776 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1785594005 LELZLCPQBOTUCD-GAZXMLTASA-N 476.574 0.908 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3OC)[C@H]2C1 1785653126 LBCZSSJPVHCSMQ-XSLAGTTESA-N 487.557 0.995 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)c1 1786977577 FMPNOFCKGRPYHL-FBVAEJEDSA-N 475.509 0.952 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCCNC5=O)C[C@@H]32)cc1 1789572031 FHQNLBFZHNKRRO-WFXMLNOXSA-N 462.510 0.795 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3cccc(Br)c3)C[C@@H]21 1791078971 PJCJADSGYWXKLX-QBWPOKONSA-N 465.300 0.550 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)[C@H]2C1 1792222916 CSWPPFDVTSSGJQ-LSTDLKDCSA-N 465.547 0.836 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2 1793345911 UUKWYPMAQAXDDD-IPLXSBJHSA-N 495.573 0.461 30 20 JCED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1793585214 VLIPGXXCIUWESE-KSWRQPAISA-N 452.552 0.984 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795443452 KQMKVKSDEKGZFW-DGPQGTHCSA-N 478.590 0.378 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 1795599702 AFUIJQKCXNHYLP-ZSBFGKGUSA-N 469.502 0.956 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1795600878 JIOUKVSWHBJMJZ-CEQLMSFQSA-N 454.575 0.255 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nnc(C)s1 1795824096 NENWWQLGDRCQGY-YYAJDYIMSA-N 477.587 0.895 30 20 JCED CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)c2C1 1797963605 ABHWOWGJZYNSRL-MUJYYYPQSA-N 471.514 0.974 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1 1798493528 NCMSGLQDFSNMMI-KWXDATOUSA-N 464.563 0.192 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799885549 MIAYVQFEFDMENA-WGVRVLLMSA-N 487.520 0.851 30 20 JCED CCOC(=O)c1nn(-c2ccccc2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1C 1800778873 VFPKPYIXEIFGMH-GPVSGQMNSA-N 494.504 0.649 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1801158152 CIVMFSCBXOYDQM-SFNKJDCFSA-N 491.589 0.784 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C)cn1)C2 1802124929 KRPOZXSEUFEQAI-SFNKJDCFSA-N 457.531 0.905 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1C[C@H]3C[C@H]3C1)C2 1802125817 VTXPKBQPDLOTEV-YICFOJQDSA-N 474.602 0.833 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC3(CCN(C(=O)C#CC(=O)O)CC3)C2)[C@H](O)C1 1804796896 CZNWQICVFVQPCT-ZWKOTPCHSA-N 477.558 0.924 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)Cc3ccccc3C2=O)[C@H]1c1cccnc1 1812874648 WWGVCWJDKHBQCG-DFBJGRDBSA-N 488.500 0.791 30 20 JCED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1826933024 KHVDLGNWQFWQPL-DANZOFFESA-N 451.568 0.728 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827994728 SOCUCLLHDQBXHW-CYBMUJFWSA-N 475.527 0.835 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1828032586 DISZXWKMEGUVCH-MRXNPFEDSA-N 473.555 0.292 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1828811423 YVJIBVIDQWUNHX-XMMPIXPASA-N 479.493 0.277 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCN3C(=O)OCc3ccccc3)C2)CC1 1829121604 UWJCNMICSHMSPW-DEOSSOPVSA-N 478.509 0.618 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1829260508 RDSQYAGUEWTEIE-AREMUKBSSA-N 489.532 0.897 30 20 JCED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN3CCNC3=N)C2)C1 1829342582 LUAZFWGIMZJYQQ-SBUREZEXSA-N 488.614 0.597 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1830046808 JTUDSYKDBVRBLO-NRFANRHFSA-N 463.922 0.553 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1)n1cncn1 1830464814 UBDOIXBXCUPCGQ-WZONZLPQSA-N 452.515 0.800 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3[C@H]1O)CCO2 1830819705 QFRMLWHSRFBNRB-JIKDYLJASA-N 483.565 0.597 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)CCO2)C1 1830885392 DRUYEIOEWBYXCN-YIGJPRQDSA-N 493.557 0.060 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1831418204 AYCVGZJPIQWAKB-YDIMBITNSA-N 463.575 0.825 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831486285 AUWAYGQJBKKLLP-HOIFWPIMSA-N 489.635 0.937 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1831493081 QAHZXXWMCPTFRY-AVRDEDQJSA-N 489.635 0.939 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1831998588 IYNOZMYLZJUGHG-LLJLJFOGSA-N 496.605 0.827 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833025671 FBRDVCXWGKCOPT-VRXSFPRUSA-N 490.557 0.022 30 20 JCED C[C@@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1833199450 RUPISZOIVTZZAE-RDPSFJRHSA-N 458.559 0.674 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1833470127 AUSRULIWEYTWQQ-QHCPKHFHSA-N 452.596 0.191 30 20 JCED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1833511261 ZWSYSMWUBQTYAK-HSZRJFAPSA-N 467.482 0.506 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(OC)cc3F)CCO2)C1 1833631924 IDSLWDWUAWHVCL-VGSWGCGISA-N 451.495 0.872 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1833866894 ALZLZDMDNLCBKA-HSZRJFAPSA-N 469.498 0.449 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)cn3)CCO2)C1 1834087738 VPBLNZWNDVCDJV-HOYKHHGWSA-N 487.557 0.772 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CC(=O)Nc3cc(C)on3)CC2)CC1 1835108133 NIBPDYFPSHVUPL-PLNGDYQASA-N 486.573 0.742 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c1 1835641790 SHNLNLXBOPYFMN-GAJHUEQPSA-N 454.531 0.224 30 20 JCED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1835738925 HMEOHPWMFSJNHF-UHFFFAOYSA-N 477.675 0.741 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)CC3)CC2)c1 1836168619 GACBUEPIMNXVKH-UHFFFAOYSA-N 454.491 0.876 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c(C(F)(F)F)n1 1836321886 OTTLDIABBWYURR-NRFANRHFSA-N 495.458 0.664 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1836526255 PYLGBFIPPYFUJV-NBGIEHNGSA-N 484.553 0.809 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)CCO2 1836687412 KRGRJXRYWQCUST-WIOPSUGQSA-N 455.555 0.757 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837169859 SIYHHRUVNOBTMP-NWBNNPRYSA-N 455.519 0.271 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1837443828 RYEAEIBWRXKMRG-ZHIQAQTNSA-N 484.557 0.597 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1837446678 MFMQDLJPQXBZKL-YJABFFPJSA-N 458.559 0.518 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837527825 XGFMGWWVLSQHSP-RUZVDQEXSA-N 461.519 0.395 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563254 LXXIAQDAAAKOMD-XMHVBLFMSA-N 459.503 0.312 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837564580 YFAWLWMEAVJADW-LWOHLBADSA-N 470.511 0.868 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(C)(C)C)n[nH]1)CCO2 1837987439 VHLDJGPEJJPNAF-KSEXMQBYSA-N 459.547 0.636 30 20 JCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1 1838349837 VDTHSDNCSJNPOM-WCNTUGILSA-N 463.491 0.084 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4sccn24)CCO3)c1 1838418762 OKHWUMAVWLTWCT-OAQYLSRUSA-N 468.495 0.340 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132818 RUHBCOMFHFZNEV-XDHUDOTRSA-N 487.557 0.273 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1839174723 SZXWNVCCAJLKON-QFIPXVFZSA-N 457.487 0.537 30 20 JCED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)c(=O)[nH]c1C 1839186779 OBHFQCZLTFDGIM-DEOSSOPVSA-N 483.500 0.710 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc(C)c(C)[nH]c4=O)C3)C2)c1 1839451270 JMVGBFMVCKGFQT-XMMPIXPASA-N 465.510 0.951 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1ccnc1 1839485937 DPCSWUMEUJILPF-MWTRTKDXSA-N 463.498 0.962 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839517872 DBNGZBVBFXXXMA-DHNIJCFSSA-N 460.535 0.207 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1840029706 NCCVACZBKTZFAN-AHWCRGGASA-N 453.536 0.293 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840036812 VMTZNEPDBJLKCR-FZZNZUPLSA-N 469.538 0.944 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(-c4cccnc4)n3)C2)C1 1840042074 YTFZPPAYSMBNFU-OAQYLSRUSA-N 456.480 0.363 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c(Cl)c1 1840204783 MILAERMKQUJFQT-LJQANCHMSA-N 488.850 0.960 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1840294722 OUXGAVAOBGGKFG-HSZRJFAPSA-N 474.583 0.542 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1840294817 NEKLIUXMDZOBTO-YADARESESA-N 456.543 0.850 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1)n1cnnn1 1840477143 BYCVQNQRVXLHQC-GHTZIAJQSA-N 462.627 0.742 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1840771549 DXBUXSWALQTBJU-CJAUYULYSA-N 498.536 0.987 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C(=O)N(C)C)c3)CCO2)C1 1840787949 YPPOYPOTVXPFQQ-UUOWRZLLSA-N 457.527 0.497 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1)NC(=O)OC(C)(C)C 1840795631 TXTJZZJKIFMKCG-MBSDFSHPSA-N 492.577 0.594 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)CCOC1 1840814681 DNDOTOBXRBYCGI-ZEQRLZLVSA-N 492.573 0.820 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccc3)CCO2)C1 1840899895 FYSRYKPFHSEJON-GLDPYIMESA-N 457.527 0.300 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1 1840908606 CQPCIPNHQGPISV-WZONZLPQSA-N 483.562 0.022 30 20 JCED CC(C)(C)OC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1840957836 XMEQXVQPXPFVHK-QHCPKHFHSA-N 479.530 0.178 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cc2cnc[nH]2)C1 1843345429 FQUIPAORSLJPPX-KRWDZBQOSA-N 490.561 0.961 30 20 JCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CC1 29779754 HVQLGCDFDCWFGN-GOSISDBHSA-N 473.486 0.790 30 20 JCED CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 110349523 PINQIPFLGWBWTG-UHFFFAOYSA-N 464.544 0.752 30 20 JCED CN(CCC#N)S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 502329092 YBEHRRCTEZORLI-UHFFFAOYSA-N 493.995 0.321 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 515978301 XSWLSJBJKNLPEM-UHFFFAOYSA-N 487.563 0.882 30 20 JCED N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 524281238 MWQJTUMYUAXSRY-UHFFFAOYSA-N 452.423 0.828 30 20 JCED CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 559314784 XMRJXFTXNKPNOO-UHFFFAOYSA-N 490.563 0.572 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(F)(F)F)cc2)c1=O 604269931 JQEJCOIPMBEQIK-UHFFFAOYSA-N 494.495 0.379 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccc(S(C)(=O)=O)cc3)c2=O)cn1 608884526 VKGVELMVYDJIOQ-UHFFFAOYSA-N 498.586 0.734 30 20 JCED C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)NC1(C#N)CCCCC1 760728207 XXRHCQXNRDBBQC-HNNXBMFYSA-N 452.533 0.934 30 20 JCED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 918328841 FOVZOPLRJKEMNQ-HXUWFJFHSA-N 491.591 0.847 30 20 JCED C=CCc1cc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc(OC)c1OC 919818622 LSAMGQFMTCYQIU-QGZVFWFLSA-N 472.585 0.707 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1314629591 QOMJNPPUUSWJOG-UXHICEINSA-N 452.563 0.935 30 20 JCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1624604205 RLTKNLRPABMDFQ-ZIAGYGMSSA-N 452.920 0.326 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1709909856 YUTDRYGJFXLSRU-UHFFFAOYSA-N 489.602 0.973 30 20 JCED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cc1O 1711836117 FTEBXTGKMQUMIA-PBHICJAKSA-N 475.575 0.827 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(F)(F)C2)C1 1712706423 LKABCRGKTSUDFW-ZNMIVQPWSA-N 460.507 0.775 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1 1722479979 NNYLSBCLQQQAKC-ZDUSSCGKSA-N 473.401 0.857 30 20 JCED C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1722875826 NYPLDKPPARKHKY-JKSUJKDBSA-N 460.560 0.933 30 20 JCED COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1730302326 WDIGGXSBYNFSRO-WMZOPIPTSA-N 460.560 0.888 30 20 JCED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1743207419 LBRBHFVQPKLSBE-INIZCTEOSA-N 473.559 0.431 30 20 JCED CCN(c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1745953556 MNYJUHIRSPJUNY-QGZVFWFLSA-N 466.589 0.769 30 20 JCED CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1746713896 YLDVOSHZPYADRB-VAMGGRTRSA-N 453.565 0.610 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)CC1 1778357594 ZDEPYSQARSWVEV-DEOSSOPVSA-N 453.543 0.360 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1778787431 ZARZAWFTWWNVNX-JXFKEZNVSA-N 450.879 0.720 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCNC(=S)NC)C3)C2)c(O)n1 1779035825 PGQYOWGZGSJKKO-QFIPXVFZSA-N 461.588 0.833 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)c(=O)nc1O 1779365052 IWTPCEMVINFBEI-DFAAWFBFSA-N 474.562 0.243 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1781290252 HPDFVCJOAYEJFQ-GAJHUEQPSA-N 481.594 0.947 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783475545 UWNSKSOKTBFIMI-UOKFIYJESA-N 491.541 0.320 30 20 JCED CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cnc21 1783561616 BXLCFSPNOUNUDP-XMMPIXPASA-N 484.509 0.911 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc(C)c(O)nc1=O)CCO2)c1ccc(O)cc1 1784016039 KQNMUIBKGSVVCP-RXFWQSSRSA-N 494.548 0.990 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784094254 UWXRWVWQRFKIHL-KSFYIVLOSA-N 461.519 0.258 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C\C(=O)NC4CC4)[C@H]3C2)c(C#N)c1 1788495417 CCNHRBKKVYJPKX-IPOHBYLASA-N 466.538 0.924 30 20 JCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)c1Cl 1789268028 MZVSUXNUDGXNGT-QRTARXTBSA-N 481.900 0.850 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1ccc(C2(NC(=O)CN(CCO)CCO)CCC2)cc1 1789562633 PLJQNLBIDYNJKE-OLCUMFGGSA-N 462.547 0.936 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1789894827 JVHFTHGJCLVCRG-KKUMJFAQSA-N 469.585 0.336 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1789913678 KIHCDLDRCMLMQD-PPGORRQASA-N 498.580 0.973 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)C[C@@H]32)cc(C(F)(F)F)c1 1790257230 KTWNXNVEHRJIOK-STECZYCISA-N 493.442 0.768 30 20 JCED COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791134023 OQKFMBSHSLORIQ-CZXFOHMLSA-N 485.578 0.565 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795586080 KGASDLDYKBYNQD-AVEIZBFRSA-N 469.583 0.619 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1795894910 FYHDZXQYELFXPY-OREBXVKISA-N 469.604 0.866 30 20 JCED CCc1c(I)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)nn1C 1796350466 SEYXJYDMGHWJHG-ZSBIGDGJSA-N 484.294 0.927 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CCC(C(=O)OC)(CC1)CC2 1797264317 PUHDRGFJBJZLCK-PHZHTWDKSA-N 473.570 0.948 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1797816853 UEWFAROQQFZBRR-NHUAPEHZSA-N 471.558 0.502 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Cn1cncn1 1797903784 XZDYGNHIEHMWOD-QTMHVTGLSA-N 474.562 0.420 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC#C[Si](C)(C)C)C2 1797967435 AWISMTJOPHKMGB-RCLSDMTESA-N 451.640 0.778 30 20 JCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1 1799056210 HXEXZXOAPROPOF-FSTVOOFJSA-N 453.547 0.771 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)NC(=O)OC(C)(C)C)c(C#N)c1 1799683640 IISQOJKEXVFVJG-IMLKGASGSA-N 488.541 0.542 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccc(O)nn2)c(C#N)c1 1800207318 LUBVAOJLQATDTN-GPVSGQMNSA-N 467.482 0.274 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800773836 KRYXZUZUYIHMCV-OPOADAIRSA-N 463.531 0.701 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2)c1ccc(O)cc1 1801057064 CLPSHUIVYCCHNZ-PRHHBONVSA-N 468.510 0.031 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)c1 1801443376 MXZITGVFDQHXEX-LJDSDSDDSA-N 481.578 0.990 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(N3C(=O)C=CC3=O)cc2)c1 1801868745 GUFBIGVDWSKNJT-FAQVEIGNSA-N 459.462 0.833 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1C)C2 1802124783 IARWPVUABNZKAJ-AXVVYFOYSA-N 472.542 0.505 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1802125392 WDNIVMXMVZSSHF-XAPVIXHLSA-N 491.633 0.130 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1802128040 WDXCWEHFMVVZBX-CLWJZODNSA-N 482.541 0.849 30 20 JCED O=C(CN(CCO)CCO)Nc1cc([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1822026520 LCGPBIHCHLUBAA-LJQANCHMSA-N 461.563 0.387 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)NCCC#N)CC1 1826897153 IWVVYBMPPFEBNU-ZWKOTPCHSA-N 451.568 0.952 30 20 JCED O=C([C@H](O)N1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828952783 ZYNXROHOVZMLSD-QPPBQGQZSA-N 461.603 0.955 30 20 JCED Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n[nH]1 1829332656 UALVQUSOYORKNG-VWLOTQADSA-N 493.520 0.801 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628032 KHAMTBFOIWDEKC-HSZRJFAPSA-N 457.531 0.218 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COC3(CCN(C(=O)OC(C)(C)C)CC3)C1)CCO2 1829847498 LXFWZNZOLMPWHX-DFBJGRDBSA-N 491.585 0.882 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1831403210 ZERMYXGCXYRQTD-CYFREDJKSA-N 457.527 0.301 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)COC)CCO2)C1 1831638972 ITNUMWODVIROFO-BSRJHKFKSA-N 467.563 0.642 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832200011 XALIINCAFPRRFL-QHCPKHFHSA-N 457.531 0.871 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)CCO2 1832349635 GNSMOAADLBHPJN-OAQYLSRUSA-N 462.890 0.435 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832487177 AHJGHOLSNZBNCW-QFIPXVFZSA-N 471.620 0.166 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccnc1C)CCO2 1832631802 XQFWPDGPTDJOPP-FFYIOULGSA-N 456.543 0.637 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)cc1 1833467565 BDCRRZRCYSPWCY-QHCPKHFHSA-N 452.467 0.270 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nccn(Cc5ccc(F)cc5)c4=O)CCO3)C2)CC1 1833566781 WQAJGHPIVZWXME-RUZDIDTESA-N 495.511 0.804 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(C)(C)C)n3)CCO2)C1 1833585905 YGULBIXRVZBMRL-HSZRJFAPSA-N 460.579 0.990 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(N5CCOCC5)cn4)CCO3)C2)C1 1833616083 WXPDRPDEOLLLQN-XMMPIXPASA-N 456.543 0.954 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1835682859 WTCZFBAPKHVBBX-SQJMNOBHSA-N 482.585 0.491 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)c1cccc(Cl)c1)CCO2 1835723515 FQRUJMDHKRNBJV-RPXOYZIDSA-N 476.961 0.655 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1835768280 WIOHHWBFNORFQJ-XAOCGEIJSA-N 460.535 0.484 30 20 JCED Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)no1 1835774329 NOVMSSVXSULFGN-UHFFFAOYSA-N 499.612 0.983 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835828767 JDANSDSCEMBTND-AUSIDOKSSA-N 458.563 0.210 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835918141 FUWCOBZMTWAWHE-JOCHJYFZSA-N 458.519 0.480 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836992230 GGDMPVRFPSKVJO-QMHKHESXSA-N 474.514 0.888 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc4nncn4c2)CCO3)c1 1837018703 GDZVZTWPYQFKBT-XMMPIXPASA-N 476.493 0.993 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1837395008 NQWOLBJRIMTKOM-AUSIDOKSSA-N 495.598 0.269 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440451 JPWAUNFMYZLXIH-XOBIUNJKSA-N 451.568 0.077 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837443647 NHZUTGWBFDCMGT-RWOVVYLESA-N 473.530 0.410 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1837486426 FCAQPRJEOHIEHV-LJQANCHMSA-N 494.438 0.497 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1837530151 JMBLACNRVCLOBQ-ASKWSNNQSA-N 499.524 0.934 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1837531028 WHBVFDXIORTDJI-IRCLMUFRSA-N 463.487 0.697 30 20 JCED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1838529371 ZLDZONKUFLNQCA-RUZDIDTESA-N 464.522 0.960 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CC(=O)N(C5CCCC5)C4)C3)C2)c1 1838732765 ZSPUAWBYUSGLPW-MHECFPHRSA-N 469.542 0.747 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccc(OC)c1OC)CCO2 1838840914 BLTVZDQRCSBOJA-QHCPKHFHSA-N 477.514 0.678 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)CCO2)C1 1839108269 DYZAGCJPEQLDIP-RAZUEPIFSA-N 497.589 0.262 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1839175930 MBYOWIWUGSJLBI-FDDCHVKYSA-N 461.515 0.815 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)ccc1F 1839187135 LNVIYDLCALIAAG-DHLKQENFSA-N 481.528 0.661 30 20 JCED Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401265 UYPZUMSRDWSOOP-FQEVSTJZSA-N 489.330 0.833 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839453997 NPACIQBUILARFA-RDGATRHJSA-N 494.552 0.407 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839621212 IPYKNVFFCZHMRW-UGKGYDQZSA-N 465.620 0.743 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864839 SIYVIXOYGXYXAD-KOSHJBKYSA-N 494.589 0.405 30 20 JCED Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041055 NAIRLUAUXCRPIX-HSZRJFAPSA-N 468.466 0.044 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1840159268 ZYCWHODGZWGVOH-JLTOFOAXSA-N 451.570 0.838 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1840912437 ICPFKTPMTRHTTF-NLSFWIRASA-N 490.561 0.204 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1840913973 RWJCQMDWOQPYNI-GXKKKHDSSA-N 479.574 0.949 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2 1841055355 XRGBSJVSFYBRHG-DOOKAGJSSA-N 492.573 0.895 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN(C)C)C1 1842679528 VLZPCOZAIDJDNM-MRXNPFEDSA-N 467.567 0.557 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844298933 UGWJHQKSSDLOBA-XJOWSZAISA-N 454.524 0.604 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cc(C)on2)C1 1844310477 XQEMQZQETPBNDI-INIZCTEOSA-N 473.530 0.833 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(CCc2ccccn2)c1=O 523577994 PFLDNTRQTBNLBD-UHFFFAOYSA-N 460.519 0.693 30 20 JCED Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CCNS(C)(=O)=O)c1 589160582 JURLZBPPBHWEHJ-UHFFFAOYSA-N 482.587 0.857 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(-c2ccccc2)c1=O 603786519 DLNIWHQFUAJKGD-UHFFFAOYSA-N 490.585 0.859 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(N)=O 608911966 XFEPZVLGTUCNHJ-UHFFFAOYSA-N 462.478 0.558 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 609220311 FHHBSTDLRBNUGM-UHFFFAOYSA-N 496.633 0.985 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccc(C)o3)c2=O)c1 726579906 RHGQZSPCUPFGEY-UHFFFAOYSA-N 488.569 0.733 30 20 JCED Cn1nc(Br)c2c(=O)n(CC(=O)NS(=O)(=O)c3ccc(C#N)cc3)cnc21 727232709 YMDWKUFLGFJNNR-UHFFFAOYSA-N 451.262 0.269 30 20 JCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OCC)ccc2Br)CC1 728589989 QCBQGKDVAOYOFU-UHFFFAOYSA-N 472.361 0.682 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1 729673175 GPWYLRDCFLHPPD-UHFFFAOYSA-N 459.593 0.825 30 20 JCED C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 756769577 GJJKRNBBJRLWJL-NRFANRHFSA-N 471.495 0.451 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286629127 KIAHCAUAVAGSJX-UONOGXRCSA-N 468.001 0.377 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2COCCO2)CC1 1288985835 DXBJKCVKYYCLOH-HZPDHXFCSA-N 454.553 0.156 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C3CC3)N(C)C)CC2)c1C#N 1290577347 NUUJBLKGDAOQBU-IBGZPJMESA-N 468.610 0.997 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2CC(=O)NCC(F)F)cc1 1302995023 UNDVFQNLVWBLQR-INIZCTEOSA-N 461.473 0.631 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCOC1 1360237379 CNAJJUAWJPDFMN-JOCHJYFZSA-N 457.510 0.905 30 20 JCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1503809180 NXIAWWIEUSXPEE-LJQANCHMSA-N 450.547 0.696 30 20 JCED CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1512713768 IMSLHQWNFUUIGX-FAGZOMQFSA-N 495.650 0.585 30 20 JCED CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1541406014 WRWDLQIHRYBGGK-TVFCKZIOSA-N 468.580 0.401 30 20 JCED CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1613442461 RXCGYDBMQWHIPB-KBMIEXCESA-N 480.617 0.920 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1690229312 SRECFSYBUMFBMK-DOMZBBRYSA-N 463.333 0.962 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690346160 MJFKNOOCRQJCFB-CVEARBPZSA-N 455.972 0.540 30 20 JCED CNC(=O)c1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1769185906 SIWYNUHYHMJUAQ-CRAIPNDOSA-N 475.575 0.615 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779093020 XHWRKYVODHSUIG-IFMALSPDSA-N 451.640 0.518 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1779316509 FZRHBDIZBBYAID-GSHUGGBRSA-N 450.584 0.490 30 20 JCED CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1779377245 QBSGDQALTCDBSE-IIBYNOLFSA-N 452.625 0.266 30 20 JCED CS(=O)(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779401256 HKLLWBHLGMEIKX-WIYYLYMNSA-N 454.589 0.634 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)c1 1780938705 OHFWOXPBUOILGI-QHCPKHFHSA-N 465.535 0.907 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781090140 LMAZGKVLXGSFIF-ZYLNGJIFSA-N 493.649 0.922 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)NC(=O)c2cnccn2)CCO3)c(C#N)c1 1781173002 NNQBJIOMAOAMRQ-SSOJOUAXSA-N 492.536 0.548 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1781311288 QMSLFMSXNSMUPV-FPGHNAPASA-N 472.542 0.822 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1 1782032014 SRJDMNLCOHBLAB-XCGNWRKASA-N 451.520 0.590 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c1 1782191888 APNVFFIFUVVVQQ-HSZRJFAPSA-N 494.533 0.990 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782730202 WKEOOZKIPKPACU-RLWVUDJFSA-N 454.575 0.685 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1)C(C)(C)S 1783778572 VHNISAHRNXVLAQ-OPAMFIHVSA-N 498.650 0.258 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C[C@@H]21 1784482865 HUCXLCMOQGJBCW-AGRFSFNASA-N 486.569 0.640 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785305579 SJKSADCUVCRIKH-KSFYIVLOSA-N 452.552 0.941 30 20 JCED Cc1cn(CC(=O)N2CC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)c(=O)nc1O 1785350968 BJPOUXZEWRETQX-QHCPKHFHSA-N 470.913 0.792 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1785592452 BWSHFGRKGILUHK-HKHQJRESSA-N 464.563 0.797 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3NC(=O)C4=O)[C@H]2C1 1788436427 OZKZFQDWAIMOND-XDKFSHSGSA-N 455.511 0.988 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccccc4)C[C@@H]32)no1 1788669482 LDJYKQVTDHRRFS-ZJOUEHCJSA-N 450.495 0.744 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4nc(N)n[nH]4)C[C@@H]32)c(C#N)c1 1789841534 TZFJGAZOPDXQNT-SNRMKQJTSA-N 467.530 0.422 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1789904398 NHOQQUJJJDTWJP-VMXHOPILSA-N 495.621 0.418 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21)NC(=O)OC(C)(C)C 1792110403 XAHKILFSUAKAJM-APAFKAMOSA-N 496.605 0.888 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1792145421 ZZXXBRZFGJOMNT-FTRWYGJKSA-N 465.466 0.719 30 20 JCED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccccc4C#N)[C@H]3C2)nn1C 1792147220 MCDDYVMACPHHAG-ZWOKBUDYSA-N 453.499 0.973 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1792266542 KLSNDIVYJOTVFG-BOGGJWPESA-N 490.601 0.962 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1792452795 WQRLIMQDIHMKJU-JMEXBRRFSA-N 464.563 0.888 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1793313577 XOPZEUUSQGEXQX-FRQROOTJSA-N 468.963 0.743 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnc[nH]1 1794011212 WHOYALOURQXXBN-WQDJSCAQSA-N 459.547 0.849 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N)C(C)(C)S 1795508167 NBUAJXSSNKRGEO-AYRXBEOTSA-N 489.664 0.804 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795969241 QEUJHIYLJCZYLX-OPMZPASUSA-N 466.542 0.573 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccnnc2O)C3)c(C(F)(F)F)n1 1795999578 VQPNCQBPWXLFRM-QHBPRCKVSA-N 462.388 0.985 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C2 1800025507 ZWZBEWKFMQVZLP-RHQZKXFESA-N 477.606 0.914 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 1800712025 PDKVPFFVHXGIJO-ZWCLTMICSA-N 461.559 0.871 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800907652 FMOBCVNGTIBGAK-DMHIMHRUSA-N 498.646 0.868 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 1802025546 DIUNESVADQDXMY-FLQYYVGBSA-N 469.538 0.761 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1802125710 OPRLJNBTDKIFEK-LTCOOKNTSA-N 487.513 0.295 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CNC(=O)c2ccco2)[C@@H]1c1cccnc1 1802481427 JJJAZZRSPUQIDK-PWPXAWQVSA-N 465.510 0.969 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807357113 DIIHIMWRMMODMI-UZLBHIALSA-N 479.497 0.642 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810147461 NQMWFPUJRUSOGC-SAJDBWTASA-N 452.519 0.279 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)CN4CCNC4=N)[C@H]3c3cccnc3)c2c1 1812069561 DWWXRBFAAKWLOK-VGSWGCGISA-N 471.525 0.989 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1814212763 ORWQMTQSUUMTHO-MTNXABLMSA-N 460.531 0.868 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@@H](N)C(N)=O)n[nH]1 1817361651 LPWVBLJSCSOSPW-NVXWUHKLSA-N 453.503 0.945 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819897945 FKXGHZSAAIWFDY-VQHJYRBFSA-N 486.514 0.629 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccc(N(C)C)c3)C2)C1 1829764832 XUOBAKSCNHSXAY-KWQGRVAKSA-N 486.569 0.446 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218751 DPGOBYBSVQUYKG-WZONZLPQSA-N 465.547 0.132 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1831402422 YMFNTYLGHNPXOJ-AVRDEDQJSA-N 450.532 0.414 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(=O)OC(C)(C)C)CCO2 1831985756 FQJLTJCNRYKGHQ-ICTHTSFCSA-N 451.520 0.033 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832483135 GYLZVANQGHEHEY-QFIPXVFZSA-N 471.620 0.166 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccc3sccc3c1=O)CCO2 1832891137 HMJVZWCMQIYRSX-HSZRJFAPSA-N 455.536 0.933 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3ccccc3=O)CC2)CC1 1833075066 NENAGXOBVAGWNT-FQQSSWHASA-N 469.586 0.839 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CC2)CC1 1833350510 YKGFCBJKMRGZKP-GHTZIAJQSA-N 494.633 0.872 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565311 FZDYRHALJNRKOK-AUUYWEPGSA-N 457.574 0.015 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834766950 HEYTVTOCMNZZCP-DQEYMECFSA-N 486.569 0.622 30 20 JCED CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1835435952 XNQYGGFUSXOGRU-HXUWFJFHSA-N 479.331 0.479 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1835755777 MCNQOJLHUNSDKZ-NHCUHLMSSA-N 481.590 0.626 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)c1 1836258584 BOVNPNUFVWIYQH-UHFFFAOYSA-N 452.515 0.295 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1836375102 VDMYKZYTTVHZGH-VQTJNVASSA-N 464.655 0.995 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1836880737 HYKHRNKUSWPYMW-QGZVFWFLSA-N 463.564 0.379 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837386058 KDLIQRPNARNZFC-UZUQRXQVSA-N 473.530 0.101 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1837396708 KUQMCQFSQNECQM-YADARESESA-N 457.527 0.824 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1837524204 BQTCRVRRGDZZCJ-ZXKJKHBNSA-N 467.563 0.771 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1837528212 BKPRZHUZWDJZRP-HLJFKENESA-N 471.514 0.933 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837607711 ZHWSSYODJZLUOC-UQBPGWFLSA-N 477.521 0.103 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cc(Cl)ccn3)CCO2)C1 1837649152 DFNUWOAGGDNXCP-IIBYNOLFSA-N 451.907 0.609 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838115788 NRROSSBCFFQIPP-POUSAUBHSA-N 480.525 0.196 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838509652 SYEDBGNKRBRMDO-OGDVTRPRSA-N 490.542 0.685 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838579626 UPLUOZPDLFQNLH-XMMPIXPASA-N 472.542 0.943 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)c1 1838638681 NDQQICLELVEGTE-JOCHJYFZSA-N 453.455 0.034 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)c1 1838905991 KQNDSIOTTMGPIY-QHCPKHFHSA-N 462.466 0.690 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4noc(C)n4)C3)C2)c(C#N)c1 1839131401 FUVVSXWYLSHIIU-HSZRJFAPSA-N 469.498 0.500 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839717924 SAAVIWZFKZKJFE-FXAWDEMLSA-N 468.532 0.167 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)(C1)C2 1840005513 GQXBHEYZURQWAX-KATXYTEYSA-N 459.499 0.498 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840175715 ZYKTXARTSZPMTQ-NRAIQUKZSA-N 479.574 0.901 30 20 JCED COc1cc(Br)ccc1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840264837 SFJZIKROGPIGRJ-NRFANRHFSA-N 495.326 0.545 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3cncn3)CCO2)C1 1840421196 KWUDPGVUPBGGAZ-YZZKKUAISA-N 492.577 0.765 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840807776 SYNNOHLCEZIHFT-WZONZLPQSA-N 460.531 0.482 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1840818323 WHRFXONOOGDIJO-HSZRJFAPSA-N 474.583 0.442 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1840820951 SBGUPTPLVYJWCW-NRFANRHFSA-N 472.527 0.304 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1840909185 NYTUMTPNBKYQNO-QRQCRPRQSA-N 493.586 0.712 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)CCCC#C[Si](C)(C)C)C2)n(C)c1=O 1844252232 SZTCWGDVMMTOCT-UHFFFAOYSA-N 498.660 0.688 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1844739721 MOTBEMTUOJOKNP-YDZHTSKRSA-N 453.503 0.967 30 20 JCED CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](/N=C/C(O)=C/[C@H](O)[C@H](O)CO)C1 2048529147 KNTYLUZSSSHOSU-UYRQGPDNSA-N 456.536 0.554 30 20 JCED COc1ccc(C(=O)OCC(=O)N(CCC#N)CCC#N)cc1S(=O)(=O)N1CCOCC1 10473794 VGWXVJPEGXSPBI-UHFFFAOYSA-N 464.500 0.529 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(OCCOC)cc3)c2=O)cn1 501259975 RZGRPPZOKOAWTD-UHFFFAOYSA-N 479.562 0.922 30 20 JCED N#Cc1cc(C#N)c(SCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1N 509238277 SZMUSMMSPMWFFR-UHFFFAOYSA-N 472.552 0.837 30 20 JCED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 517190200 JIAVGVFHIHLNGL-UHFFFAOYSA-N 485.522 0.155 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1Cc1ccccc1 604118351 GWWKPLBVPRJRQB-UHFFFAOYSA-N 453.545 0.611 30 20 JCED COc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(N)=O)c1=O 608911379 CVUSGUMYMJQASU-UHFFFAOYSA-N 491.367 0.292 30 20 JCED COCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 730725333 RZKLKYKOMHKCCW-BXPXOOBPSA-N 478.556 0.599 30 20 JCED Cc1ccc(-c2nnn(CC(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)n2)cc1 915374818 YXFHTRFOPJOYSF-UHFFFAOYSA-N 450.459 0.709 30 20 JCED CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)N1CCN(C)CC1 918252489 ALZANSUXMHITML-KZLURRSOSA-N 492.646 0.826 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1C1CCN(C)CC1 920398996 KVFDOLUCMNFSKB-UHFFFAOYSA-N 492.605 0.628 30 20 JCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(n3cc(C(N)=O)nn3)CC2)CC1 1174614947 MYPRJRIGJUNRTJ-HXUWFJFHSA-N 454.510 0.562 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 1466345084 XQMMKFVDHQCNOH-GOSISDBHSA-N 455.558 0.126 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(F)c(F)c2)C1 1505139610 ROSTVYBAAKXZOY-CRAIPNDOSA-N 482.513 0.861 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccs2)CCO1 1521130260 UCVNJLALJRACIR-ZIAGYGMSSA-N 450.546 0.400 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cn[nH]c2)c1 1552879874 CIWBEWFTSBCBAC-KRWDZBQOSA-N 456.532 0.890 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C 1692347164 ZLKHRCXVKWTTED-MRXNPFEDSA-N 455.585 0.465 30 20 JCED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722544042 PCROEUFEEIMEKL-UHFFFAOYSA-N 470.987 0.722 30 20 JCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1729221637 KEJPJDIWOUQKOC-MRXNPFEDSA-N 452.562 0.379 30 20 JCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1747526360 MJKCZWHTGVLYBN-JTSKRJEESA-N 460.558 0.899 30 20 JCED CN(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747606817 INUUCSMSKJQMRP-UHFFFAOYSA-N 481.586 0.749 30 20 JCED N#C[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1770747194 MRKQIVVIRWGRRH-MAUKXSAKSA-N 482.360 0.986 30 20 JCED O=C1CN(c2cccc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)n2)CCCN1 1779016203 QLWJFRAFOSVWQK-YABZZONLSA-N 497.600 0.323 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138022 NIDHKIWEIJLIJW-UAFKUJGSSA-N 490.557 0.899 30 20 JCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)N1CCN(C)CC1 1781093792 AQOFUVOBFAYJIA-KOSHJBKYSA-N 457.550 0.706 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)N1CCN(C)CC1 1781096335 RQRBWNAUPSEOIC-OSPHWJPCSA-N 465.558 0.514 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1781396322 QOQQVPHKZOXDSL-YVHKJVDXSA-N 470.567 0.893 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(CCN3CCCC3)nc1)C2 1782009983 BKRMXKLANVEESE-PXDATVDWSA-N 468.554 0.935 30 20 JCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cc2ccc(C#N)cc2)C3)c(=O)nc1O 1783112331 CXIHVYQRPCZOTO-CJFMBICVSA-N 479.537 0.886 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783226987 XMZYCUDWSPHEHD-KFCXZAFISA-N 495.529 0.045 30 20 JCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1784531264 BOPSAVZZRCKJFH-XSLAGTTESA-N 461.650 0.592 30 20 JCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)C1 1785623402 VBTVEJIOJOKPPO-QFIPXVFZSA-N 478.546 0.970 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncn3-c3ccncc3)[C@H]2C1 1785750892 BZOQAIKSORNDEH-FQUWNOGJSA-N 464.526 0.719 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C)[C@H]2C1 1789944477 DFVJITZDXJVTIM-VMXHOPILSA-N 476.574 0.504 30 20 JCED C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C[C@@H]21 1791053275 NPFJPFATLGXLAD-UVPYHEFZSA-N 459.609 0.949 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1791284168 ZQPOJPRUQCOBNQ-ORGXJRBJSA-N 450.532 0.281 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)C2 1793353643 AZISSDGSXPLARD-XQPJFTJZSA-N 479.599 0.843 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1793599947 MLEDVBYXMQQUIX-UHDSXZAQSA-N 463.539 0.293 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@@H]2NC(=O)NC2=O)N(C(=O)OC(C)(C)C)C1 1794213108 XINTZSBEGYBRDN-QEOTZNIISA-N 475.546 0.788 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794405063 RYMMJJFIKUVSFD-WTLGNFPFSA-N 465.572 0.403 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cn1 1794440666 IWEQMLVWFPSDCE-RMFSNUHRSA-N 470.574 0.403 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O 1796325470 WPDMDEJZQNIWBX-IWWUOKNGSA-N 479.578 0.492 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]n1)C2 1798357932 JSWQTXDZULYQRB-QKPAOTATSA-N 491.549 0.862 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1799231975 FUUAWCLKHRYKJC-VBRUWADQSA-N 476.574 0.551 30 20 JCED C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1799292894 MGOFODRFPKZDNY-ARKGTOAJSA-N 472.608 0.312 30 20 JCED COC(=O)[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C)NC(=O)OC(C)(C)C 1799395706 HJLPKTMSIRGIFA-NRUGXNMXSA-N 498.577 0.833 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2)NC(=O)OC(C)(C)C 1801932056 LYHGRIRURXUYJO-WYADAEROSA-N 489.573 0.692 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1801965052 YNXMLMOTKDDOBE-HUUJSLGLSA-N 478.590 0.167 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1802938787 XOSFCLZWMGZTCB-MHECFPHRSA-N 490.516 0.956 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812720992 VICHEOLROCNTNH-BWKNWUBXSA-N 481.553 0.325 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664956 SYBYFJADZPYWRR-DGCLKSJQSA-N 465.532 0.385 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829047012 IZYXRASKWBSYKQ-NBGIEHNGSA-N 499.616 0.006 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cnco3)C2)C1 1829330721 PGFXTNLVXGGUAF-HSZRJFAPSA-N 466.450 0.828 30 20 JCED Cc1noc(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n1 1829332218 FGSHIVQDCMVRKX-XMMPIXPASA-N 495.492 0.461 30 20 JCED C[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3(C#N)CC3)C2)C1)n1cnnn1 1829396757 RZDILPGWQWFNLN-KOSHJBKYSA-N 492.540 0.990 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CNc3ccc(F)cc3)C2)C1 1829765219 NETQIWGEUAUOSZ-YLNCNTMDSA-N 460.506 0.552 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056534 DNMVPIPJIVPRRP-SFHVURJKSA-N 454.325 0.802 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1830185046 VMZOHJZTLIKRQY-HPTBBYBNSA-N 489.550 0.872 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1830344165 HZJXTHUYCCVGJK-KRWDZBQOSA-N 471.518 0.555 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)CCO2 1830836077 KBJWOKIWOPVFTM-AREMUKBSSA-N 479.533 0.471 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831275787 CYRKNWVILVDFFA-MHECFPHRSA-N 494.589 0.276 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1831393356 KGMUCLGNAHJFJP-QMHKHESXSA-N 456.499 0.075 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1831398591 HRHLZVYSROUXCL-BXKMTCNYSA-N 455.511 0.680 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c(O)n1 1832018676 WQTKPZJXYKGRKS-RUZDIDTESA-N 498.536 0.291 30 20 JCED CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1833142436 KTUJAKMWWAOJBC-UHFFFAOYSA-N 454.575 0.944 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833463173 ANKAIAVHRCMWEV-SJORKVTESA-N 485.585 0.603 30 20 JCED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833488828 MGMSWJFBUCTDQB-HXUWFJFHSA-N 474.693 0.243 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565254 BHYKHPFWEPVEKI-VGSWGCGISA-N 465.572 0.908 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1835765275 GJLYUBJQCZOPJI-VQYZLWMVSA-N 465.551 0.539 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4sc(N)nc4c3)CCO2)C1 1835783265 AQLDMYMJYFXIRJ-IVZQSRNASA-N 458.540 0.987 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1837403586 OFDNFEMUECDTEE-CVDCTZTESA-N 498.573 0.872 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2)C1 1837502409 LDOGDPPBFFINIP-LPHOPBHVSA-N 462.446 0.149 30 20 JCED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530204 JVTZXIVFVWJIEJ-KSMLXTPASA-N 468.595 0.950 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)c1ccccc1 1837616083 UVJRHDQXFZSESG-NBGIEHNGSA-N 485.537 0.183 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1ccccc1=O 1837684285 PGEIFUNFQNZAFF-FDDCHVKYSA-N 459.547 0.148 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3oncc3C)CCO2)C1 1838402598 KUQDGNLZZHUVRT-UZUQRXQVSA-N 476.530 0.970 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)cc2NC1=O 1838587929 JTFVWFSLHWWOJD-GKVSMKOHSA-N 499.568 0.758 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)cc1 1838950824 HGCMLRAKOKPDFM-HSZRJFAPSA-N 462.466 0.690 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1839175436 JASZQLUXBHWXMG-DEOSSOPVSA-N 483.525 0.847 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839388244 LLXOOYVMHJUNBD-AVRDEDQJSA-N 453.536 0.480 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc(C(F)(F)F)c1 1839475698 XIOGJFUFIUMHBG-FQEVSTJZSA-N 470.400 0.872 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(=O)oc5)C4)C3)c2c1 1839488096 WZRIFTGFPFTDMF-HSZRJFAPSA-N 463.450 0.772 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cc1ccncc1)CCO2 1839656244 JKGATQNZIDQUSA-BSYOABOOSA-N 456.543 0.575 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)(C1)C2 1840004992 AJDQXQYUSTYBOV-VNXZQDSDSA-N 462.547 0.068 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4c(Br)cccc4n3)C2)C1 1840042280 KUQMKKKRWPWBES-HXUWFJFHSA-N 491.298 0.255 30 20 JCED CC(C)(C)OC(=O)C(C)(C)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043256 OCFGYFXONKKZLY-JOCHJYFZSA-N 452.504 0.289 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1840218808 QEGSEMMYXZHHCK-XZOQPEGZSA-N 499.630 0.734 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1840218966 VNWLNKWETLBTEQ-YADHBBJMSA-N 466.535 0.118 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c(C#N)c1 1840358498 LIDAGHNXJQIQMI-HSZRJFAPSA-N 468.514 0.248 30 20 JCED COCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819577 ULKCPTICFRMAQA-HSZRJFAPSA-N 470.482 0.842 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1840840431 SAUTTWWIHMGUBI-HSZRJFAPSA-N 479.574 0.618 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nnc(Br)n4c3)C2)C1 1840841653 NGDBEYAWKKMGBW-FQEVSTJZSA-N 476.331 0.975 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCO3)C2)C1 1840908812 HYVZWIQAPNMCKU-IUKKYPGJSA-N 465.547 0.538 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1840908871 JQSNRXFMWSPAFU-SBUREZEXSA-N 491.545 0.294 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)C[C@@H]3NC(=O)NC3=O)C2)N(C(=O)OC(C)(C)C)C1 1841962946 PAXVDVOAXAJLOV-GJZGRUSLSA-N 461.519 0.354 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)C(=O)C1 1847123093 RGJMPRVKQGEWDJ-AFUMVMLFSA-N 490.605 0.741 30 20 JCED CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)c1 10853277 KOFDSIYKOIBAGH-UHFFFAOYSA-N 463.516 0.579 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccc(OC)c2)c1=O 501772116 VPFSYJJNYAHGDU-SFHVURJKSA-N 485.562 0.670 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(Br)c3)c(=O)n2C)CC1 514337704 RZCPZQIGBQRVNF-UHFFFAOYSA-N 461.385 0.876 30 20 JCED N#Cc1cccc(OCc2ccoc2C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 522480132 FSGINRWWRGRXJQ-UHFFFAOYSA-N 452.467 0.873 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1CCc1cccnc1 524343155 URUQXLGGDYOUOE-UHFFFAOYSA-N 496.545 0.501 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4ccc(C(=O)O)cc4)C3=O)CC2)cc1 589797411 SIHGRUYCMDWYIG-LJQANCHMSA-N 468.491 0.895 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccccc1 603786407 BSHFDNQBTLFMAR-UHFFFAOYSA-N 463.515 0.951 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)cc1 769641693 FXPGOCFHXQGMJR-SFHVURJKSA-N 497.595 0.728 30 20 JCED CS(=O)(=O)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 800762858 OSMVLTCUBRFLCS-UHFFFAOYSA-N 451.482 0.422 30 20 JCED CN(C(=O)COC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C#N 913273408 UHUYYHYBPRXGKV-HNNXBMFYSA-N 493.991 0.725 30 20 JCED Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNC(=S)NCCCN1CCOCC1 916312101 YENQSQGYHPCEMV-AWEZNQCLSA-N 463.029 0.725 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCNc3ccc(C#N)cn3)CC2)C[C@H](C)O1 916520613 KCYVHHSCOZDOIE-HOTGVXAUSA-N 451.553 0.046 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)o1 919181901 NTULUHOLNAONOZ-XLIONFOSSA-N 499.499 0.390 30 20 JCED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 919319260 YQZIOKYGUTWEOW-CQSZACIVSA-N 491.547 0.641 30 20 JCED CCOCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 919665221 RQXHZXGJCFWWSU-IBGZPJMESA-N 464.544 0.405 30 20 JCED CCN1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1313881140 FZDVKYKWEBVCGA-SFHVURJKSA-N 468.610 0.998 30 20 JCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1539601288 YRYVZFBTTVMPSW-CQSZACIVSA-N 475.413 0.347 30 20 JCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCS(=O)(=O)CC)CCOC1 1696092573 UDVNGYRJQHVPDS-YLJYHZDGSA-N 452.581 0.541 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1698311128 LHXOHDQATWHADZ-UHFFFAOYSA-N 493.615 0.324 30 20 JCED CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1710918921 ZXDQYGXTLZPTIG-DJAACAABSA-N 457.564 0.375 30 20 JCED CN(C)C(=O)c1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1710973415 TWRPFFFHNQZNRM-OALUTQOASA-N 472.571 0.853 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1712442804 JOOLEMUBCMHNCY-IBGZPJMESA-N 487.586 0.789 30 20 JCED Cc1nccn1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1725744153 PNBFBEWYKPTUQI-PXNSSMCTSA-N 462.580 0.946 30 20 JCED COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1730302324 WDIGGXSBYNFSRO-FUHWJXTLSA-N 460.560 0.888 30 20 JCED Cc1ccsc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1742078432 OFBOUVSIPUATNQ-CABCVRRESA-N 452.562 0.758 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1751222148 OSLWKMXPXNSLML-XCLFUZPHSA-N 461.523 0.664 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cscn2)C1 1777966261 LNVOHHUZICWLIU-NJNPRVFISA-N 462.620 0.809 30 20 JCED CN1CCN(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C/N=C/c3ccco3)C2)CC1 1779442465 NIHUDZUREDQNGM-FGZZVUJSSA-N 459.591 0.850 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782197701 CJRVZXTXRNMSLI-XMMPIXPASA-N 485.541 0.948 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)c1ccccc1 1782747868 OYCBUOVAIHBASW-DVECYGJZSA-N 455.511 0.557 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782963068 VNROKDJJFDJZKT-OIDISNMWSA-N 497.614 0.863 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)[C@H](O)C1 1783478895 VDEZWCTVYDTACM-RZFLPCETSA-N 450.536 0.498 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)OC(C)(C)C)C[C@@H]21 1783530171 JJHIENPKQMOWGU-QJFPOAGESA-N 464.563 0.691 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1783783759 GYRGXUZSAOALOA-MFEFFIJZSA-N 481.546 0.311 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1784012374 SBGAEDBQDUZZEC-OUDOVLHRSA-N 490.557 0.900 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1785554160 CUFZFAOYMCMQPS-KOSHJBKYSA-N 455.559 0.917 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1785594557 UXUSPRQBMFRCBB-KBJGYGKASA-N 460.535 0.728 30 20 JCED C[C@H]1CC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CN1C(=O)OC(C)(C)C 1785726300 WYYHOZBHKPGOTM-YGKZAACZSA-N 463.531 0.940 30 20 JCED Cc1nn(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)c1F 1788657102 ZSZGYYOMAOSVLK-HHKMWVHKSA-N 451.499 0.990 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1789928489 PQOLQJJKIGLKOT-OKYOBFRVSA-N 495.621 0.524 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1789955121 FBRCYSKRSDZJRP-FHIRATQRSA-N 467.548 0.232 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791560561 VSYAEUNBHYMZDR-QAETUUGQSA-N 492.602 0.793 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O 1792451719 PODITDYZGKMAMN-FWBPUNABSA-N 493.601 0.622 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCN(C)CC2)cc1 1792457455 JJJWVTGISOBDHM-DTDMMECASA-N 481.597 0.500 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cc3nn[nH]c13)C2 1792489687 IJEAMCNTUBHYMW-JCXHYCBLSA-N 458.906 0.673 30 20 JCED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1792794232 SAKYMHHKTMTMKK-NRCNUGCVSA-N 470.592 0.542 30 20 JCED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)C2 1795417007 JIXJPDUBNBQQOD-XEMDLRDOSA-N 453.474 0.938 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CCC(N)=O 1795975337 MQVNSONSTRXLRV-BQJWPVKWSA-N 451.568 0.687 30 20 JCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(CCO)CCO)C3)c(C(F)(F)F)n1 1796460230 MMHLQDPFDYHHGT-MUJYYYPQSA-N 469.464 0.510 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1797808554 JLQKIKPAQUGZOK-ANYSHLCJSA-N 450.536 0.508 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(C(=O)OCC)c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c1cnc3ncccn13)C2 1802128026 VUEKCKVRBUWUMX-SFNKJDCFSA-N 482.541 0.849 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2(N3CCN(C)CC3)CC2)[C@@H]1c1cccnc1 1803549840 GKJHHHCHKJUZLK-CEMLEFRQSA-N 453.587 0.906 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1804346202 IFAXLDNTRZRRMS-IKASEJMKSA-N 455.519 0.157 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C2 1804370088 JVSGYLMWZGOYCT-UYTYNIKBSA-N 484.619 0.869 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cn1 1807917149 PGXWBHDEAWXKRQ-KKSFZXQISA-N 470.507 0.429 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2c2cccnc2)CC1 1811536029 BBTTWTBZOGBZSY-NZQKXSOJSA-N 463.542 0.765 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(N3CCOCC3)cn2)[C@H]1c1cccnc1 1812874940 PMKIFLZEYYCCGH-JPYJTQIMSA-N 463.494 0.721 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)[C@@H]1c1cccnc1 1812875589 YODDZMSUANCJPK-IAMHBRQHSA-N 465.466 0.182 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)c1 1816668759 QBWFPSBJWWQDIM-CQSZACIVSA-N 489.521 0.999 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNCP(=O)(O)O)CC2 1828029888 OCMKFXBFXPIRKJ-CYBMUJFWSA-N 479.455 0.731 30 20 JCED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)COCCO)C2)C1 1828514201 MZOMTCXVIZNYSL-DEOSSOPVSA-N 472.542 0.997 30 20 JCED CN1N=C(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CC#N)C3)C2)CCC1=O 1828627697 HTTDGPDDTLKIMR-XMMPIXPASA-N 480.525 0.960 30 20 JCED NC[C@H](N)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCN2C(=O)OCc2ccccc2)C1 1828876178 NJSAHZPNUNMTEI-WNCULLNHSA-N 489.576 0.776 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)c1cc(C)on1)CCN2C(=O)OCc1ccccc1 1829134043 WJPNLRPVCZTIBQ-RUZDIDTESA-N 493.520 0.798 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1829334665 KTOHKSXBFBBSBF-RUZDIDTESA-N 492.488 0.941 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(Cl)n3)C2)C1 1829763795 BDVFAPQPADWMDX-ICTHTSFCSA-N 462.934 0.592 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902647 WLWVOJFHOANMGV-XMMPIXPASA-N 453.543 0.839 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(=O)OC)c1ccccc1)CCO2 1830408090 TXPZVUOROHVOFF-FPGHNAPASA-N 473.526 0.578 30 20 JCED CN[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)C(=O)O 1830467081 SFBASXILOZFTIK-PGRDOPGGSA-N 463.918 0.211 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)C2)C1 1831402068 MTMLLUBAWSDPLV-DVECYGJZSA-N 492.594 0.517 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1831426185 KKAONCLYSOCTPW-QVKFZJNVSA-N 455.458 0.905 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)CCO2)C1 1832353494 FUXFYXLFUMEUGZ-SZNDQCEHSA-N 483.974 0.840 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)CCO2 1832354223 SECFSQCTBKVXNV-HSZRJFAPSA-N 475.929 0.935 30 20 JCED CCc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834519855 WJPFUCYHVLYICO-YIPJSWNASA-N 450.492 0.836 30 20 JCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1836863856 PTKQRENHKISFDB-UHFFFAOYSA-N 455.596 0.254 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837243074 NWBAHWLWUGTYMM-WYOOIXGGSA-N 477.583 0.724 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1837396562 JGYGCNLNEYFGMS-GCJKJVERSA-N 462.503 0.941 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nc1 1837441102 RKMFPIWKMGVVSK-SGCYSOCQSA-N 493.586 0.027 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837461880 HRAKYXIWJMIUCO-QFIPXVFZSA-N 459.572 0.041 30 20 JCED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837530534 NNAFMWIQKIMDBY-VSDLEHRUSA-N 467.519 0.315 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)ccn1 1837531692 TWGSSUKJVBLGAD-REWVYZQPSA-N 462.503 0.689 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(Br)c3)CCO2)C1 1837810345 FLHAGITVIWFRKJ-MGPUTAFESA-N 466.332 0.952 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838952852 KOVVPFPGZBNNKP-JPYJTQIMSA-N 474.514 0.471 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048487 AFVVMWSFVMXSJW-AVWDHSPOSA-N 466.498 0.440 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2)C1 1839073884 YBXJRNKMQYXFLG-SBUREZEXSA-N 469.579 0.929 30 20 JCED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839132047 PFFMYSBKOIEFJS-HSZRJFAPSA-N 461.515 0.229 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1N1CCCCC1)CCO2 1839443155 YVTMKROYTYJMDY-XMMPIXPASA-N 455.511 0.835 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1ccnc1 1839485939 DPCSWUMEUJILPF-WAIKUNEKSA-N 463.498 0.962 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c(C(F)(F)F)n1 1839862834 BJYKKUDAXHNSES-IBGZPJMESA-N 469.420 0.308 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840010088 IPUXERMJAIDUMV-DSPLJNTKSA-N 461.559 0.969 30 20 JCED COc1ccc(OC)c(C(=O)CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840147856 BNYUMYATZSFMQH-DEOSSOPVSA-N 488.493 0.211 30 20 JCED CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840583356 KLSAJXQOZWJBRR-IQZTVQLZSA-N 466.579 0.845 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C(=O)OCC)CCO2 1840885551 OGDDRGDIPSPCST-QFIPXVFZSA-N 454.520 0.542 30 20 JCED CN(CC(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)C1)C(=O)C(=O)O 1843169604 JXBUVOYPIHZKSL-UHFFFAOYSA-N 453.377 0.332 30 20 JCED C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)cc2C1=O 9701888 XQGICXFPJGRHMQ-UHFFFAOYSA-N 468.466 0.607 30 20 JCED Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1S(=O)(=O)N(C)C 511366532 ZUMRLMNRGNOEOY-UHFFFAOYSA-N 456.528 0.799 30 20 JCED CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 518128159 NLDKYBIZEDOXQM-UHFFFAOYSA-N 455.496 0.988 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)CC1 521686195 PTWXFFOYEOXPES-UHFFFAOYSA-N 468.583 0.998 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 522536963 ONZITUUKCMKCQZ-UHFFFAOYSA-N 494.529 0.273 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)cc2Cl)c1=O 523089579 PKNBXMVQNDQXAY-UHFFFAOYSA-N 465.959 0.874 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccccc3[N+](=O)[O-])c2=O)cn1 523182266 CPECOVIZVYXPAQ-UHFFFAOYSA-N 482.522 0.679 30 20 JCED COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604167626 ITCNCZXKYHVCSM-UHFFFAOYSA-N 464.482 0.533 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 604269951 KMIGDDDRGAOUES-UHFFFAOYSA-N 469.523 0.468 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccc2c(c1)OCCO2 726785776 VOIXTKINJUQICJ-UHFFFAOYSA-N 493.589 0.932 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)n(CC)c3C)c(=O)n2CCOC)CC1 728557342 JXHPHZNUELRTOB-UHFFFAOYSA-N 471.627 0.662 30 20 JCED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cc1C 729671942 XWKIBVDVADUQQK-UHFFFAOYSA-N 461.609 0.907 30 20 JCED C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NCc1cccc(C#N)c1 746569779 XGBPCXAGZYUTLB-HNNXBMFYSA-N 472.523 0.786 30 20 JCED N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916967494 VFOHTXRTUXGUGR-QGZVFWFLSA-N 484.490 0.539 30 20 JCED Cc1nc(SCC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)c(C)c1C 919986646 JVVPUAHHMXVEDK-MRXNPFEDSA-N 486.641 0.632 30 20 JCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1265114092 NAELUXVVKHFLMH-LJQANCHMSA-N 457.556 0.896 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1302496651 PGOJSCHMOBLPCL-IBGZPJMESA-N 473.603 0.915 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CCO1 1359453015 YAATWVRCONUIPK-SIKLNZKXSA-N 456.503 0.221 30 20 JCED CN1CCC(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)(N2CCOCC2)CC1 1478403599 MDUVAOOGVVDGKM-ROUUACIJSA-N 450.584 0.841 30 20 JCED C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1613012563 LFNXDQYHGBLHRX-SFHVURJKSA-N 489.602 0.531 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCC(=O)N2CCOCC2)cc1 1620352667 WQBBUZLMITWCKU-UHFFFAOYSA-N 453.503 0.304 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCOCC1 1706075821 SZIXNQUHXAYMPL-IRXDYDNUSA-N 469.612 0.318 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1711420951 ZQFMRWYKDYDPMH-ZDUSSCGKSA-N 485.364 0.994 30 20 JCED CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1766089753 JJTWPAQZSPHWAA-MRXNPFEDSA-N 464.548 0.876 30 20 JCED CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1777981306 RPDJTBBXKIEWRO-LYHRCORUSA-N 457.531 0.898 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C1 1778077688 KUGJZWOTGUCDKH-SZLNKSKCSA-N 452.577 0.894 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1778086347 FOVXBFOKXVKUPU-QQMNAOGKSA-N 462.547 0.738 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)cc2C1 1779106892 MSSCKRFGEYHMOY-ZRINGLHMSA-N 474.562 0.691 30 20 JCED Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@@H]3CCCCO3)C2)c(=O)nc1O 1779423234 BSDSSGQFFZBUBK-SRFICAAFSA-N 491.545 0.300 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779543518 UVESDRWITRVBHW-KRWDZBQOSA-N 454.268 0.871 30 20 JCED O=C(OCCO)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1780159380 XGTYHINQEJDBBA-FYWXSZBBSA-N 469.494 0.991 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781103593 IRJWSTCZHAJJNE-WZOHSFFVSA-N 491.633 0.369 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@H]5CCCS5(=O)=O)C4)C3)c2c1 1782959170 HFPCWZPELKWGCX-DYESRHJHSA-N 457.512 0.455 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1783448212 HVVTWGDTMFTXBI-FIITUTCTSA-N 488.585 0.932 30 20 JCED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1783647660 XDMQXERNVOWZEB-ZCVJKFOLSA-N 470.526 0.892 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783901703 UPXGOHFQUWGISU-WIEQDCTASA-N 473.592 0.981 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)C[C@@H]21 1784482057 DAGHKQSTXGIHTA-JKBKZWBZSA-N 481.553 0.511 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785608978 ICPSNWHFTUAHRV-DXJATJGKSA-N 494.589 0.339 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785631447 UILMCWYLQUSJSP-YCRPNKLZSA-N 453.540 0.344 30 20 JCED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)C[C@@H]32)c(O)n1 1785772968 YKTQRVLRQOSVEA-WBAXXEDZSA-N 471.514 0.051 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)C[C@@H]32)c(C(F)(F)F)n1 1787198488 LIXXVJNTSBJKID-CQDKDKBSSA-N 494.430 0.117 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1788706266 TZSPEIQNSWYWNF-PBMHTOEVSA-N 488.545 0.104 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccncc4=O)C[C@@H]32)c1 1789259963 LZHUJKVLILUCFI-VDGAXYAQSA-N 451.483 0.417 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]nnc5n4)C[C@@H]32)c1 1791984521 IYEPJXCCLAQPQQ-DOEAQHAXSA-N 476.497 0.347 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)[C@H]2C1 1792224119 VHNVEWZHDGARNW-BCYZHJNNSA-N 495.573 0.461 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(C)=O 1792539740 ZKDBUZUPDFMEKH-MTHXSQLBSA-N 464.563 0.407 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793083314 NKQNDXHZGMGPAE-DFGXFYAUSA-N 457.593 0.771 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)[C@H](F)C1 1793225486 UIJKJGRZMOJORR-PPLBCVRQSA-N 467.494 0.259 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C2 1793362488 VKEXIDCARCXMPC-HUUJSLGLSA-N 480.606 0.720 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793428664 YKOSLOKFTZADKO-RPUYLAQPSA-N 452.552 0.557 30 20 JCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)ccc1F 1793612768 ALLXAJPQADNUBB-GPVSGQMNSA-N 454.458 0.145 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cn1 1794441755 XYMLQPVLJAXNHM-UGNRZPKXSA-N 459.547 0.922 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(C)=O 1795331126 KAPKJMAXGRIDMK-YYIAUSFCSA-N 454.524 0.401 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)nc1)C2 1795599038 LTVUKHSMQIKEFL-OPVJXMOQSA-N 451.531 0.752 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C 1796390736 RHXCHZQOWKACSP-AVEIZBFRSA-N 453.536 0.154 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744181 VACRTFJXVVWRBZ-GRCHLYKMSA-N 493.605 0.418 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1797783333 MMBHFNOKNCNGCC-HGKCTWBKSA-N 453.499 0.337 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-n3ccnc3)ccn1)C2 1797815238 MMMZPMYAHZDWOD-FKMLMQSASA-N 468.514 1.000 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694290 YAOMWHJOMGYOEC-MVJTYMMSSA-N 461.519 0.365 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1799331026 MXRPOSHEJXZTHV-YGBCKFAYSA-N 467.563 0.851 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1799395432 BLGGLAFPUUSULW-ZBLLQYKHSA-N 482.578 0.747 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)C=CC2=O)C3)ccc1Br 1799710669 CUGTZDJCULJQBW-YVWYUNDQSA-N 487.310 0.449 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c(C(=O)OCC)ncn2C1 1800324619 ITUQWMACMQJTMS-IHEQNBGGSA-N 472.542 0.250 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 1800713394 FENPAQPEPVRNRN-WWFZUCMJSA-N 488.585 0.691 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802084446 JBPAILOKCINCOP-SFFUCWETSA-N 481.546 0.071 30 20 JCED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C3)N(C(=O)OC(C)(C)C)C1 1802507019 YFUKDFZSERUBPH-ADHGMGHFSA-N 463.579 0.783 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)CN4CC(=O)NC4=O)[C@H]3c3cccnc3)c2c1 1812068685 BLOXPBOAAGGKHC-ZHRRBRCNSA-N 486.492 0.701 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1812495516 XDSAGBBEIMDLEZ-GUDVDZBRSA-N 461.588 0.946 30 20 JCED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1814013952 FWSULHSVLUBCAD-CYBMUJFWSA-N 460.479 0.547 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1814065057 DYGYMRJMDUGGSU-UQBPGWFLSA-N 473.489 0.963 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN(C)C(=O)C(=O)O)sc3C2)c1 1824673663 IDHMVQJUIFEQMT-CYBMUJFWSA-N 471.495 0.792 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829120976 JWKMFYYQAMIVBD-CJAUYULYSA-N 497.552 0.906 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCCCCC(=O)OC)C2)C1 1829773201 DKMVXLZDNSEFLR-AXKWSIDASA-N 465.547 0.425 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830462729 KFGTWZZGRCEKDH-QHCPKHFHSA-N 473.599 0.431 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)C(C)(C)C)CCO2 1830634079 DOVWKGNYRRPQEG-XFAGBWLFSA-N 481.590 0.766 30 20 JCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)CCO2 1830836138 MGILDLWBRHHLBY-XMMPIXPASA-N 468.510 0.362 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1c(C)c[nH]c1C)CCO2 1830894877 HFOPXIBBWSZWER-VOVDEZLQSA-N 458.559 0.879 30 20 JCED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1831272879 UYVOBCWTAIXMPC-IBGZPJMESA-N 469.420 0.178 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC[C@@H](C(=O)OCC)C3)C2)C1 1831388455 SXQAADMBAKZBIR-ZSTWQFLISA-N 464.559 0.851 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1831432983 DKXNBFBJPTYXEN-GCJKJVERSA-N 452.548 0.967 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831460827 JBVRGWIQJZGKNY-YCRPNKLZSA-N 483.974 0.962 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1832000260 JTXSVFWJRBWNKY-FDDCHVKYSA-N 465.547 0.891 30 20 JCED Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)nc2s1 1832109823 UEPBTMFYYZBZFB-DBNSOCDESA-N 486.554 0.810 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832751359 SLIANKMMXIBOLH-MBSDFSHPSA-N 459.568 0.966 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1)C(F)(F)F 1832880193 BDUXIUOAFUGTNQ-LJQANCHMSA-N 458.437 0.710 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3c(O)cc(O)cc3O)CC2)CC1 1833075325 KLOHCNRIFOOYBX-ARJAWSKDSA-N 472.542 0.847 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)CCO2 1833726228 WYWKZZZCNIPWNM-RUZDIDTESA-N 483.569 0.281 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834794148 VWTLBOPQCKQCKR-OAHLLOKOSA-N 457.535 0.194 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2)c1cccs1 1835410090 SORHBUMSWSKOSW-BDNZGDGKSA-N 461.540 0.566 30 20 JCED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1)C(=O)O 1835763763 NCETWXQLPAXSBX-DYESRHJHSA-N 498.458 0.710 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1836124458 JKZGEEHAIJBFFT-QFIPXVFZSA-N 487.557 0.817 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)CCO2)C1 1836639997 DUGQFUFHOSHZCF-YDIMBITNSA-N 479.574 0.738 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CCC(C(=O)OC)(CC1)CC3)CCO2 1836705955 FEQPBTRRBHBFJY-XBMRSUBKSA-N 476.570 0.995 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc4ncnn4c2)CCO3)c1 1837169930 VJCCJYQDHJQDEA-XMMPIXPASA-N 476.493 0.993 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(N4CCOCC4)cn3)CC2)CC1 1837318543 KUSUHWNIKFPLNP-UHFFFAOYSA-N 470.526 0.618 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1837392596 FLANPJWJZCMOGY-KNOQFWTLSA-N 477.602 0.807 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CS[C@H]1CCCCO1)CCO2 1837502562 XJMQOVOUVWIWQZ-HWEXMVQRSA-N 467.588 0.561 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1837530277 KELRKVSSJKOGAD-KKBSVXDQSA-N 499.568 0.738 30 20 JCED Cc1ncc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)s1 1837533635 YFNYOPGENNOTAO-IOKPPIHOSA-N 466.560 0.979 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1)c1ccccc1 1837615232 DJTNJUHNJPBJJH-RDPSFJRHSA-N 457.527 0.996 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Cn2cncn2)CCO3)c1 1837646101 NTJDIJSYUMETHU-HXOBKFHXSA-N 468.514 0.565 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1838382512 JEGVXTVINVHVCW-GOSISDBHSA-N 489.573 0.778 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c1 1838503491 XGNVFZWCJAIUCQ-XMMPIXPASA-N 492.467 0.484 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n(C)n4)C3)C2)c1 1838580535 IMLGBYLKPAOJIA-JOCHJYFZSA-N 455.471 0.390 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1O 1838732950 GHXLLNUGHPDBOG-HSZRJFAPSA-N 454.483 0.913 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1838908647 LEZCMPZKZNBIQM-LJQANCHMSA-N 454.405 0.307 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)N1CCN(C)CC1 1839103723 VQHGUSHJHUEUPS-CJAUYULYSA-N 495.584 0.140 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1839174814 YAWFBGAIBILHPC-JOCHJYFZSA-N 457.487 0.309 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1839185300 WBSDOAXTUVHWQG-KSFYIVLOSA-N 478.550 0.734 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)ccc1Br 1839401289 WQSIDMKTLLRMJV-FQEVSTJZSA-N 490.314 0.267 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ccoc3cn1)CCO2 1839483672 MYLFMHFLUUVOQY-GYLQWBMOSA-N 454.483 0.756 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)c1 1839718855 RIENIZRZKRPAGX-QHCPKHFHSA-N 499.455 0.537 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839719012 YXCQOQQDWMSWTL-IERDGZPVSA-N 479.490 0.014 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839837942 BGXQTHVAZGTMTG-HOIFWPIMSA-N 455.552 0.541 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839861547 FBWKBCOCBPLHCV-NLSFWIRASA-N 480.562 0.048 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1)C(F)(F)F 1839893785 PVXFEUREJTVIPD-TWOQFEAHSA-N 459.465 0.962 30 20 JCED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1840028823 KNDYHAKMDSLTON-PDSXEYIOSA-N 475.608 0.425 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(Br)c3F)C2)C1 1840043478 AXCSLERXIGGPJX-IBGZPJMESA-N 469.263 0.746 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1840082782 OTTYLILCJGMAPR-OFNKIYASSA-N 472.579 0.351 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1840164947 UFLQYCVTEAASLX-CLJNILSWSA-N 499.630 0.643 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251810 ZFWDQUVZZSJMSH-YTZAWJCFSA-N 492.573 0.145 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Oc1ccccn1)CCO2 1840422232 RVRQHCBXTRLELL-ADWLJLTJSA-N 458.515 0.164 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2ccc(O)cn2)CCO3)cc1 1840494464 BLTSOUTXKOMSJS-XMMPIXPASA-N 450.495 0.900 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1 1840716728 RJAVNYUIVKJPOC-XDHUDOTRSA-N 466.494 0.309 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CCO2)C1 1840763373 YRAYBFLCIXWOGL-CYFREDJKSA-N 487.557 0.862 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840799607 FIENXWKYOITQKG-CJFMBICVSA-N 473.570 0.836 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840820382 MKCUNDGSXMXHDU-XMMPIXPASA-N 470.526 0.406 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1844301891 OWOBTILXYKYEAA-AYIMAKJXSA-N 480.562 0.947 30 20 JCED CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)C1=O 9946026 DWUITCIDTHIBIW-HXUWFJFHSA-N 479.515 0.359 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 24947991 FZQRVVIWGNVUMS-QGZVFWFLSA-N 454.508 0.522 30 20 JCED COC(=O)CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC(C)C 109390347 HUXTVHOENNJQEW-UHFFFAOYSA-N 450.561 0.912 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(NC(C)=O)c1 502062159 FMBZFNSZYNZYBS-UHFFFAOYSA-N 480.550 0.247 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C1CCN(C)CC1 516827818 IAMCQHMPJVRFAR-UHFFFAOYSA-N 462.522 0.720 30 20 JCED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)c1OC 517993202 ONNXGABZAIVSEF-UHFFFAOYSA-N 468.579 0.975 30 20 JCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 518563795 SPBSVFWOUQEPNJ-UHFFFAOYSA-N 469.542 0.635 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CCNS(C)(=O)=O 589161150 PLFQYYTYFHMRMG-UHFFFAOYSA-N 498.424 0.950 30 20 JCED COc1ccc(Cn2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccn3)c2=O)cc1 603798978 QGXQUUMJRMAXFO-UHFFFAOYSA-N 462.531 0.724 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 604434299 DELUVXSTCOARBM-GFCCVEGCSA-N 486.506 0.578 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)c(OC)c1 608828470 VXXJPNWXJDYECD-UHFFFAOYSA-N 490.541 0.797 30 20 JCED COc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2CCCNS(C)(=O)=O)cn1 730721807 KOBIXWOOZJBRSX-CQSZACIVSA-N 493.571 0.780 30 20 JCED CCOCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 730726062 XUOMWPKBIZXQKD-XGTYDZQNSA-N 492.583 0.989 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N(C)C(C)(C)C#N)cc2)CC1 747906536 SMLZJZUBHYPTDP-UHFFFAOYSA-N 450.517 0.457 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)N3CCCC[C@H]3C(N)=O)nnc12 749010781 SALNVUOVKOBANJ-INIZCTEOSA-N 484.538 0.732 30 20 JCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)CC[C@H]1NC(=O)NC1=O)CCCC2 915377527 OFEJXQRHCGWYLQ-CZUORRHYSA-N 457.487 0.887 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](c3nncn3C)C2)c1 918440267 SCEQJBKPFKWQCS-OCDBCJEZSA-N 473.559 0.973 30 20 JCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1ccc2c(c1)OCO2 918872411 MCPOPZVQYUZAFS-UHFFFAOYSA-N 461.452 0.192 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(NCC(N)=O)cc2)CC1 919467782 AXHPAQCYMKLWLJ-UHFFFAOYSA-N 485.522 0.145 30 20 JCED C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1444420657 YRPLALGNQUCYGZ-ROUUACIJSA-N 456.572 0.947 30 20 JCED CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1503286820 ZEPVMSNJTUWXDM-MIKNWGHHSA-N 471.591 0.659 30 20 JCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1509217601 SJTCVWFVSCCSQT-GOSISDBHSA-N 462.580 0.761 30 20 JCED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 1517411720 WIUFIUGKFBMHKZ-QFIPXVFZSA-N 489.602 0.313 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1CCS(=O)(=O)CC1 1611684879 SEOXNVPYPLLAFX-AWEZNQCLSA-N 458.610 0.843 30 20 JCED CSc1nc(O)c(C(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1C#N 1616282511 VJYXZJFEYWGSKX-HNNXBMFYSA-N 454.574 0.732 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1696623060 KYPXRBGYARAXNG-UHFFFAOYSA-N 485.549 0.964 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1cnnn1C 1706619704 KDGIDHBUQJMITL-UHFFFAOYSA-N 452.498 0.930 30 20 JCED C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)C1 1706938337 IYCQSUCCTWVBHJ-NRFANRHFSA-N 489.627 0.897 30 20 JCED CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)c2ccccc2c1=O 1709807355 RCHBOFJPYDITAQ-HNNXBMFYSA-N 450.503 0.882 30 20 JCED CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1729432837 MOHOXZSQPROJAP-UHFFFAOYSA-N 450.503 0.957 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740739565 VOEXKLORSWQFHT-CQSZACIVSA-N 492.444 0.444 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CCO1 1748211866 PQQTUSPBFOAEDS-GOSISDBHSA-N 458.544 0.593 30 20 JCED Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)c(=O)n1C 1751517057 WANZVJIGZSPTLS-UHFFFAOYSA-N 455.544 0.858 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCCC1 1761499077 ZLDWPSKTFVCLDV-QGZVFWFLSA-N 473.607 0.577 30 20 JCED CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1767430572 UYIVVGZJOMCANS-WOJBJXKFSA-N 453.565 0.610 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCCO3)C2)C1 1778077418 FOTVSKQQSNGCNH-GLDPYIMESA-N 479.574 0.881 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778938868 BNDNIGWBEZLDDS-QMHKHESXSA-N 475.546 0.389 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN)C2 1779297982 OQJACORISANDOP-SEPYTNNBSA-N 497.593 0.265 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)S)C3)C2)cc1 1783888838 MNTLZTRCHLRUFT-TWOQFEAHSA-N 455.602 0.810 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2)c1ccc(O)cc1 1784013048 RSNXOLJFNVRGJQ-OPHFCASCSA-N 471.554 0.370 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1784371630 XVYSDNKLWATJRG-QPPBQGQZSA-N 483.956 0.992 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C[C@@H]21 1784474854 PPUFFGCEQGTRQR-OLAQMGEPSA-N 471.554 0.184 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1784786198 RUNUTVNLQFHZPW-QAETUUGQSA-N 463.539 0.122 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)[C@H]4SC(=N)NC4=O)C[C@@H]32)c1 1789257517 NCFSHZQLBLQCFA-GOVQTCTQSA-N 485.566 0.963 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789575235 FISSYZVUUYEYDV-MUGJNUQGSA-N 499.568 0.920 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1789839167 ARSSBBFRLJDLGU-OKYOBFRVSA-N 478.590 0.799 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072849 FYYLDERGSFMDTI-XSLAGTTESA-N 475.542 0.844 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2 1793340189 PTSQCBDPTABLQS-HMSXXHTOSA-N 467.563 0.543 30 20 JCED Cc1cc(C)n2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)c2n1 1795598260 LQJQPMDJWNKPIW-IZZQQSIFSA-N 453.547 0.831 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798467361 KUNIQFIQGFFCPH-JLVBRIDZSA-N 457.487 0.044 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799199654 LITCLNGAAQLYSG-WXJALIKYSA-N 481.590 0.377 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c[nH]c(=O)cn2)C3)ccc1Br 1799710311 PFFHMNFPFVKEJT-ZSBFGKGUSA-N 472.299 0.921 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2[nH]nc(C(F)(F)F)c2c1 1800112039 GSLOLKPAZDJVHX-DPIQGUFMSA-N 450.373 0.873 30 20 JCED Cn1ccc(N(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)Cc2ccccc2)n1 1800294060 MSJSZMFMHGSKRF-NXKWYNOOSA-N 479.537 0.494 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](C)S)C4)c2n1 1800345413 UKLIRZYJLQKQFC-GUIRCDHDSA-N 491.574 0.034 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1802084468 JYOXJVOJSSIGIW-FZKCQIBNSA-N 466.535 0.582 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1803242733 BGTCHFZBDIIXEL-LQWHRVPQSA-N 486.525 0.811 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1811500111 DAMCUJFLLCNWIJ-GIALQQLVSA-N 487.557 0.789 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)CCOC1 1812881408 ZVKHLSOSOFRYIY-WPSZSDGUSA-N 486.525 0.859 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)CN)sc2C1 1814787086 LGLVRINPJWLWLC-GXTWGEPZSA-N 496.590 0.819 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3nc4ncccn4n3)sc2C1 1818302204 VQYKULGTMWNMFO-DGMVEKRQSA-N 452.500 0.665 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCN2C(=O)OCc1ccccc1 1828506253 ZBCNMJCPNLSSEO-YADARESESA-N 467.526 0.878 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1828578992 AVUDRIZQBMIUGE-OUDXUNEISA-N 498.580 0.988 30 20 JCED CN1CCN(CCC(=O)N2CC[C@]3(CN(C(=O)CC#N)CCN3C(=O)OCc3ccccc3)C2)CC1 1828805777 CRGJYRZYDBHOFM-AREMUKBSSA-N 496.612 0.990 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)CC1 1828920958 FQNJEZXKIWSVOW-DEOSSOPVSA-N 478.509 0.618 30 20 JCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829050059 LLYKAXDPPXAPDV-OFVILXPXSA-N 469.586 0.918 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=N)N)C2)C1 1829347621 AUNXGLZLNWJZHZ-XMMPIXPASA-N 468.558 0.725 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(OC)cc3)C2)C1 1829762740 QGQQZSFETZBLNC-HMLKYZKVSA-N 473.526 0.389 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1829766090 LHFRCRKWCUOMFS-XXGSHBOYSA-N 453.499 0.443 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1831208947 BWRLGFUXUIRGNJ-DEOSSOPVSA-N 453.495 0.854 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2)c1cccs1 1832020632 NQBNLKLWNNBKMU-CRTIWDKESA-N 487.534 0.259 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1832452480 ZLLYGWAJCNSLOM-BSRJHKFKSA-N 499.630 0.732 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)CC2)CC1 1833463468 LTUMCTOKPSHLCP-KRWDZBQOSA-N 476.599 0.709 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)nc1 1833599097 CRWLXTHGGANWAB-HSZRJFAPSA-N 484.534 0.741 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1N(C)C)CCO2 1833658414 JMBKGDBTMMJAGZ-IYZQMXKPSA-N 457.531 0.076 30 20 JCED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c1 1833762624 QKWGEUGPJDVLCZ-NRFANRHFSA-N 480.569 0.661 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833787161 AQEYUEKBUZTSDB-VWXZLZIGSA-N 450.927 0.672 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346046 OWYBAHPWFYCTIA-AOMKIAJQSA-N 466.535 0.022 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)CC2)CC1 1835432089 DHXSNKPYAKPYKG-UXHICEINSA-N 462.591 0.809 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)c1 1835706355 NYEUDKLBUWCNOP-NFBKMPQASA-N 453.474 0.862 30 20 JCED COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835768397 DGURUWWHMIAEAC-RXULLKCLSA-N 453.540 0.443 30 20 JCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836255439 CCNCLWSAAYERFI-JOCHJYFZSA-N 480.587 0.901 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(C(F)(F)F)cn3n1)CCO2 1836289550 WRUYAWSEDJIUKE-GOSISDBHSA-N 452.393 0.732 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836811600 WYNJLVMUSYORHW-XMMPIXPASA-N 467.526 0.727 30 20 JCED O=C(COC(=O)C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1837316221 XVKIKJNWKNNUNT-CYBMUJFWSA-N 454.295 0.449 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1837446676 MFMQDLJPQXBZKL-FGZZVUJSSA-N 458.559 0.518 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nc1 1837488362 BTUHHNYGXXRPIJ-RUZDIDTESA-N 470.570 0.916 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2)C1 1837500233 WKWHCSBBTKAXIH-CVDCTZTESA-N 468.547 0.930 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529843 ZQLUMKJLNYLAHU-PQPHGNLUSA-N 479.534 0.129 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)c1 1838579191 DSYHNXDFZGQXOB-QHCPKHFHSA-N 451.483 0.670 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)c1ccc(F)cc1 1839038329 CJXDPVHUEFSONK-YMTYPPQLSA-N 453.536 0.778 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c(C#N)c1 1839133167 BMFVQFHPFKHKPA-MHECFPHRSA-N 470.526 0.092 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839435167 POTOQVTUOLVPCI-JPYJTQIMSA-N 455.515 0.928 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1839738094 JRZACHYKGGKCRI-YJYMSZOUSA-N 455.437 0.903 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c(C(F)(F)F)n1 1839869266 GGQZYLXNXQLPSM-ZUOKHONESA-N 481.431 0.178 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840089095 HXHRTVFIMSHBHU-HXOBKFHXSA-N 481.594 0.638 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840194479 QCWRIOJPAGMMIW-AOMKIAJQSA-N 499.586 0.177 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)c4cccn4C)CCO3)C2)c1 1840483638 YBHPOLANSFWWDJ-DEOSSOPVSA-N 466.494 0.858 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c(O)n1 1840548447 FNQHRIMKUYCRGQ-QFIPXVFZSA-N 481.571 0.411 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)cc1C#N 1840763076 GGLLLCROWXDSOK-YADARESESA-N 487.557 0.008 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840818853 BPWUNDDZZLNZNO-HSZRJFAPSA-N 453.451 0.660 30 20 JCED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n[nH]1 1840819400 IKELANOFEHXHQK-QHCPKHFHSA-N 453.499 0.993 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840907408 UKEMIZZBPBPYNX-WAIKUNEKSA-N 491.545 0.112 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840908793 HBRNERGHSNGPMP-OPAMFIHVSA-N 497.618 0.376 30 20 JCED CCc1[nH]nc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c1I 1843111794 WMDZYXBFIRYSQY-UHFFFAOYSA-N 456.240 0.482 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 18760848 OQVGMBSXPCOYQE-QMHKHESXSA-N 489.550 0.730 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2[C@H](C)c2cccs2)CC1 608830015 WAMMAAGLDHUXDQ-MRXNPFEDSA-N 482.635 0.981 30 20 JCED Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 914665026 GSSWPSZQIYMISX-OAHLLOKOSA-N 462.509 0.605 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCn3cnc4sccc4c3=O)CC2)o1 915379132 YGWSZKJOZPFFGG-UHFFFAOYSA-N 456.484 0.908 30 20 JCED CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918445516 IQBQBINHWHSLFQ-BJJKHMRRSA-N 451.549 0.859 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)cc1 1207878967 KFGIMQORJVYETF-OAHLLOKOSA-N 458.562 0.506 30 20 JCED N#CCCN(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1cccc(Br)c1 1464559764 ZKISWOCZCMYIMH-UHFFFAOYSA-N 459.366 0.802 30 20 JCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1=O 1519226622 YYNZYLTWZVNNRN-UHFFFAOYSA-N 484.557 0.955 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCOC[C@H]1C 1541942577 GPQOXACXWSXFJS-KYHPRHEASA-N 451.597 0.737 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1554125787 VQJLLUMNQBGXJG-UHFFFAOYSA-N 467.530 0.394 30 20 JCED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C 1652905863 UMVQEVQUCFLVAG-LSDHHAIUSA-N 455.544 0.484 30 20 JCED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1670193377 XEXQGJDOGZMGNI-UHFFFAOYSA-N 450.542 0.908 30 20 JCED CNS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1711424628 QDAMAPLXUQMZLX-IBGZPJMESA-N 473.603 0.798 30 20 JCED CN1C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NCC(F)F)CCN2C1=O 1729595983 VFJFPJYFNKGHKG-OAHLLOKOSA-N 474.472 0.666 30 20 JCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1729718622 RORITXUNADKCOK-UHFFFAOYSA-N 452.519 0.527 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)CC1 1740822826 OZJXRGHMKYEHEX-QGZVFWFLSA-N 475.015 0.665 30 20 JCED CC[C@H](C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1743853227 ISUZFWSDAQIISG-XYJFISCASA-N 452.629 0.795 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(F)c(F)c1 1761503289 ZEDOIPHHBNBOBA-TZMCWYRMSA-N 456.475 0.974 30 20 JCED COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1769443670 VVMGXDBJZGHPCW-KRWDZBQOSA-N 454.487 0.587 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778898538 HWNQAAADYSJUAD-LJQANCHMSA-N 455.389 0.872 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1779106202 YDYDCFMBIDSVTK-ASPARNDVSA-N 460.487 0.825 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3c2NC(=O)C3=O)C1 1779147940 VTWTVZLNQMQSRI-HGDBAGAISA-N 453.495 0.987 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1779323874 UFUOWVDPKBLLLG-CTEXWBPVSA-N 467.567 0.737 30 20 JCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1c(=O)oc3ccccc31)C2 1782010900 KNIDYOHYAHCLKG-WZONZLPQSA-N 455.467 0.587 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1782643869 QFXLDRXQQAGAPD-LJQANCHMSA-N 484.504 0.900 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C[C@@H]21 1783530736 XUVFEODIRDTGDU-HELMIZECSA-N 465.554 0.591 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1783584000 VGLFBTVRDSMICZ-BPBFDTGDSA-N 491.585 0.613 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783677480 VLBWRXMHEWFPSI-HTDHLNIYSA-N 456.543 0.695 30 20 JCED CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783782234 RAOXDFQKTZQSOP-IERDGZPVSA-N 472.608 0.554 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]3C2)c(C#N)c1 1784518588 AFUOITQXLGDKSL-GWKIZSTFSA-N 477.583 0.770 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784606172 BTFUJSJPYRYUBV-VYXDICFBSA-N 475.550 0.533 30 20 JCED COc1ccc(Cn2cc(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)cn2)cc1 1785208345 DECWDTNFKDVARA-BVSLBCMMSA-N 480.521 0.550 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1785578349 XMIIGNZHSORWRE-VBKZILBWSA-N 490.479 0.411 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1785609114 OVJXRDPPXNHVSU-DFBJGRDBSA-N 499.568 0.965 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)N(C)C)C[C@@H]32)c(C#N)c1 1789839880 QNHCRCGHYZOFIL-VDGAXYAQSA-N 457.531 0.360 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)Nc3cc(C)on3)C[C@@H]21 1789892091 BONVKTFYCRPWNL-ULQDDVLXSA-N 462.503 0.801 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2C1 1790231057 QBTZNMVVADKQBU-UUXHPUJUSA-N 462.934 0.956 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327565 TZIHWLPSQQMZBD-CQEAQJRCSA-N 462.514 0.956 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1)C(C)C 1791263430 BHTOFURAANBTPV-UGCZWRCOSA-N 498.646 0.656 30 20 JCED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1794249752 QVZLRLMUIRWWIZ-BJWYYQGGSA-N 472.546 0.055 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csc(N)n1 1795665263 DAHDQPMNJIFOSM-FQLMCAECSA-N 463.560 0.845 30 20 JCED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)no1 1797831403 IWMATFQUEJOLIR-FAQVEIGNSA-N 467.482 0.253 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799063938 KGYTWRWGFWUWKF-CCWDJLKJSA-N 492.623 0.350 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1)[C@H]1SC(=N)NC1=O 1799325679 RNJRNJFBNVDILG-BONOGKKUSA-N 473.530 0.632 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1799389677 MEXGLLVBUGWWGK-BOQPXBONSA-N 496.605 0.995 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(=O)(=O)CC)cc1 1800432213 QKTVAHDVGLCWET-NSAZKJPHSA-N 462.568 0.651 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C[C@@H]2OCC[C@@H]21 1800779057 PBUQKSXZFJUOEZ-OHWWPSECSA-N 491.541 0.079 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1801286582 JFUBPOYXIXVLIO-VAKZPMALSA-N 468.489 0.371 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1ccnn1 1801398073 VQRMLFLMPVKLDC-ZMMAXQRCSA-N 460.535 0.174 30 20 JCED O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1802079741 VTUPQGMWOQGVAT-HWALZHESSA-N 458.515 0.878 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@H]2c2cccnc2)cc1 1802579304 NHKWVAVEYWJVFA-OEMFJLHTSA-N 463.538 0.852 30 20 JCED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1803453989 KOPZLNBWZBJQPA-GJPOJAMWSA-N 495.605 0.681 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)c1 1807049485 ZAPZYFZELKGHGY-AGHHOFFYSA-N 464.526 0.874 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)C#N)n[nH]2)n(C)c1=O 1814566045 LWXZZFBSOPSCBM-CQSZACIVSA-N 481.517 0.399 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816675484 PUFAYALHFDUXCR-GFCCVEGCSA-N 491.493 0.446 30 20 JCED NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C/N=C/c1ccco1)CC2 1821036454 FNQJVLOTUGXZEF-MKTFZPETSA-N 453.484 0.970 30 20 JCED CN1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CC#N)CCN3C(=O)OCc3ccccc3)C2)CC1 1828807647 JHVGNKHRMDOZLF-RUZDIDTESA-N 482.585 0.600 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)O2)C1 1829847275 IHOYRBMDHIXNOD-HOYKHHGWSA-N 492.573 0.915 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829907331 HQFXZSQSYAENGG-RUZDIDTESA-N 489.569 0.627 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1830047157 OHZQWUXOMKBHBB-OAQYLSRUSA-N 497.474 0.918 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064899 YJDAWLIYIASXJQ-QMHKHESXSA-N 496.561 0.449 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460970 ZJDCLEUKEWCCHQ-HOYKHHGWSA-N 471.558 0.655 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1830756674 JSQBPBOKZNAEQC-SPTXLCGFSA-N 452.552 0.456 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C(F)(F)F)C2)C1 1831386344 FOCASNAJGWSEGH-KUHUBIRLSA-N 458.437 0.547 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1831405423 ALHQQBKUTSQSSI-FQEVSTJZSA-N 451.480 0.231 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1831427267 RCEVMRSQDJLQQL-VOIUYBSRSA-N 496.524 0.232 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1831493801 VWVKLLANQAMDMX-ZJBJCVSYSA-N 489.635 0.673 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3C)CCO2)C1 1831879945 BBBOBDYWKDSQDQ-CYFREDJKSA-N 489.573 0.715 30 20 JCED O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccc[nH]1 1832878741 IQOBIVRFRQQYAI-UUVZMSSXSA-N 471.514 0.303 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833025521 CQSJTZQWUGZYCX-NIYFSFCBSA-N 492.532 0.501 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565881 WWZJCOHKQWOYQR-JTSKRJEESA-N 496.586 0.497 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c(O)n1 1833699323 XYJLNHUHMRYIFN-QFIPXVFZSA-N 486.485 0.921 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)c4ccccc4C3=O)CC2)CC1 1833723115 BMJQWLIOVSAEIU-UHFFFAOYSA-N 480.521 0.332 30 20 JCED COCCOCCOCCOCC(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834403162 NOTHOPPPJLSCEL-UHFFFAOYSA-N 454.568 0.168 30 20 JCED O=C1NCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#Cc5ccc(Cl)cc5)C4)C3)cc21 1834561094 YADCWQUNEFUKLJ-XMMPIXPASA-N 497.939 0.402 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834899622 SZXAPJCLSJCPNO-OALUTQOASA-N 492.573 0.016 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1835096137 QYESCYDHWQTFMF-VWLOTQADSA-N 453.539 0.897 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1835682908 YALHZTYFAMLFOB-GLDPYIMESA-N 478.590 0.704 30 20 JCED CCS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835778350 HXTNAPDGLZMISO-HYARGMPZSA-N 452.577 0.705 30 20 JCED Nc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)s1 1835843195 KYFSUXFIAWHHRP-NFBUDXKYSA-N 453.521 0.324 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)CC2)CC1 1836073970 WLPXGWRKMUKXJK-UHFFFAOYSA-N 496.593 0.483 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCO2)C1 1836634394 DUGQFUFHOSHZCF-KHCICDEESA-N 479.574 0.738 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836811480 RVQOWXQCTFREMQ-JBMWNJKUSA-N 452.471 0.740 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837397614 YFVNIXRKIBDGFH-CZSZKKDXSA-N 457.571 0.730 30 20 JCED COc1cc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)ccn1 1837440869 CLAZATBHLBLVTG-RGXRWQALSA-N 473.574 0.951 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1837486821 QXZZJZDBUQSRMM-NVQXNPDNSA-N 484.549 0.981 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1837533222 LNGBOLKWNIMJRH-CJDPIKCHSA-N 479.505 0.917 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Br)c1)CCO2 1837810443 LWIVXKIRXIQBAF-YOXWTLATSA-N 493.358 0.773 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838401949 CWNWMQGVBHTNDW-NPDDSVSJSA-N 482.578 0.165 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)CCO2)C1 1838483691 NNEBGJWNBHBLMN-RCDICMHDSA-N 457.556 0.959 30 20 JCED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838582226 HHPIXFKSZGNYEE-QFIPXVFZSA-N 475.571 0.121 30 20 JCED CCOC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)ccn1 1838738296 ZUGSULPNNXODQE-HSZRJFAPSA-N 467.482 0.842 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950329 JRRLLYOVNYMOKH-XMMPIXPASA-N 498.561 0.882 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1839174004 ZSTKYTGHMCJHFL-JOCHJYFZSA-N 457.487 0.309 30 20 JCED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)cn1 1839362474 VTOLLXVGFAGLFJ-HSZRJFAPSA-N 451.483 0.935 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccncc5O)C4)C3)c2c1 1839488473 UKYGCUOWMNSZRZ-QHCPKHFHSA-N 462.466 0.919 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCc5ccc(O)nn5)C4)C3)c2c1 1839489343 XYYDRATWZJJSCV-DEOSSOPVSA-N 491.508 0.633 30 20 JCED CN(C)[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(Cl)cc1 1840044571 MEJAENDLGJCWCB-IRLDBZIGSA-N 463.918 0.487 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840347426 CGKLTHIACWKHEA-HSZRJFAPSA-N 462.547 0.856 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c1 1840381976 YOXSOTSRNAOULQ-OAQYLSRUSA-N 456.528 0.847 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2 1840712240 AZRWMJRGQLSMKY-VGOFRKELSA-N 463.556 0.818 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1)NC(=O)OC(C)(C)C 1840795509 MDEQWXMXDAJQTG-QQMNAOGKSA-N 496.561 0.411 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5c(c4)NC(=O)CS5)C3)C2)CCC1 1840815251 FSTYLECUEDDFJV-JOCHJYFZSA-N 471.539 0.890 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)[C@H](O)C=C)C2)C1 1840908521 CBEHOZHTTNPJHY-CEYNDMKZSA-N 493.601 0.933 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCC)C2)C1 1840909203 OKMXHSPEZBNELW-JTSKRJEESA-N 453.536 0.396 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840945637 XYJDQYFOYJMQAU-VGOFRKELSA-N 483.537 0.440 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1845188948 AMTKOAHYQXRBRN-MRXNPFEDSA-N 453.536 0.975 30 20 JCED C#CCCC(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 1847000535 BEMHZWFTOVCNEV-XDHUDOTRSA-N 458.559 0.976 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc(CC)n2)c1=O 516828814 LHNJTPWPNVAEFL-UHFFFAOYSA-N 461.613 0.290 30 20 JCED N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c1 521465908 KUBGLOVVOKPWBI-FQEVSTJZSA-N 453.543 0.916 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(OC)cc2)c1=O 523477662 NTMVKVCZUVHOCZ-UHFFFAOYSA-N 470.595 0.622 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCNS(C)(=O)=O 589160177 GBDOMUHKAGXCEP-UHFFFAOYSA-N 470.576 0.735 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)cc(Cl)c2)c1=O 604270471 QSISSPWHQYNGEX-UHFFFAOYSA-N 495.388 0.667 30 20 JCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCNS(C)(=O)=O 608912077 CBCSSKNQQHNCDT-UHFFFAOYSA-N 478.552 0.485 30 20 JCED CC(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 729885237 VCSBMRODLANPRQ-LYBHJNIJSA-N 463.560 0.813 30 20 JCED Cc1ccc(C(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1S(=O)(=O)NCC#N 731183084 QGSBXVDAWXCOGR-UHFFFAOYSA-N 450.542 0.646 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)sc(=Cc2cnn(C)c2)c1=O 837522786 JJGNXCXBSJPPND-UHFFFAOYSA-N 481.578 0.932 30 20 JCED CCOC(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 912876915 DNLGHEPSPQJMON-GOSISDBHSA-N 492.554 0.803 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)o1 915365331 HTWUSPNDZPIPNO-HZPDHXFCSA-N 457.487 0.612 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1504888193 KURHKWAAACYWQZ-HZPDHXFCSA-N 494.540 0.810 30 20 JCED COC[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555226522 JAFBTEAELKCKMF-HZPDHXFCSA-N 462.580 0.764 30 20 JCED N#Cc1cc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1C(F)(F)F 1661782125 RWEYQTXLIQCHJL-LSDHHAIUSA-N 453.464 0.353 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccc2F)n1CCNS(C)(=O)=O 1693750482 VQKIRSJZLBDXFK-INIZCTEOSA-N 499.576 0.934 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3C[C@H]3C)CC2)c1C#N 1725865027 UZJYGYDJZOHJFR-VNQPRFMTSA-N 461.596 0.785 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1728266805 XAEWETBWHPMRES-GOSISDBHSA-N 489.602 0.973 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CSCCS2)C1 1731014813 NJLHMFOBTGLCBD-JKIFEVAISA-N 476.625 0.902 30 20 JCED CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1741372126 XCZZQDCGPBLQMM-QGZVFWFLSA-N 453.638 0.957 30 20 JCED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 1748053468 QYHMGARZODGSBJ-PGRDOPGGSA-N 473.603 0.649 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2F)C1 1750211355 JRLQCXPKCHIMDR-NVXWUHKLSA-N 450.496 0.527 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1752445725 GIQLPWFIRLWUGY-MHECFPHRSA-N 483.573 0.479 30 20 JCED CS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1770337355 MNQWOHQWJHQWFS-LJQANCHMSA-N 471.587 0.858 30 20 JCED CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1779377426 LLQVWQKGESTUAR-NUCBNXIXSA-N 469.608 0.513 30 20 JCED CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@@H]3CCCCO3)C2)CC1 1779423050 BWFHSGIVMHDDMJ-FDPYEWOUSA-N 465.595 0.277 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C3)c(C#N)c1 1780688121 YOXIMVPBSHYOIX-HYBUGGRVSA-N 471.558 0.894 30 20 JCED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)cc1 1781010704 JOCGYRDPEOZVMO-WZONZLPQSA-N 476.497 0.320 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1781169096 HUBNTUPDZADMMS-WZONZLPQSA-N 499.630 0.948 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781902692 DKMYMUWYAQXKKZ-NQIIRXRSSA-N 493.358 0.915 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c(=O)[nH]c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c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1784484719 YPRYXKCYBUVQFU-FPXQBCRKSA-N 478.509 0.202 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784501825 WHJXYQCPOCTKOT-SARNLOFESA-N 460.531 0.564 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1785427900 ZNYPAUHWFSPZGX-VGOFRKELSA-N 485.603 0.558 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccn4c(O)nnc34)CCO2)C1 1785574190 AWDPSISXRGVYRY-MZNJEOGPSA-N 498.540 0.795 30 20 JCED Cc1cc2nnc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]43)c(C)n2n1 1787910594 HAAXQBSJLBYLND-BZSNNMDCSA-N 468.562 0.616 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3c(=O)n(C)c4ccccc43)[C@H]2C1 1788139111 QUJFFJCUMRGNIX-NTLWEQJWSA-N 456.543 0.911 30 20 JCED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)cn2[nH]cnc(=O)c12 1788638922 UHHYGOAPCQOLLW-IHPCNDPISA-N 481.553 0.623 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=N/O[C@@H]5CCCCO5)[C@H]4C3)c(C)n2n1 1788658958 DJJKWRNELNXGIV-OIROCEHISA-N 485.545 0.863 30 20 JCED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)cn2[nH]cnc(=O)c12 1789176195 YUHHXFFUCFUJGP-MVHOGZTOSA-N 469.546 0.396 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(O)nnc4O)cc3)[C@H]2C1 1789272743 YTVHLYJRKHAFNO-XIRDDKMYSA-N 454.487 0.822 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3sc(N)nc3c1)C2 1792488841 YVQPONADILJIIV-XTLOUAGDSA-N 455.540 0.940 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)NCC 1797694961 MSOZDZYOHBZYHA-JCECYMMASA-N 481.594 0.753 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)nc1 1797781372 KDCISMZYPLBHHG-UPHUGPLXSA-N 475.567 0.387 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1799306979 UVZJMTUWQLVUOW-HATOLVCRSA-N 456.543 0.482 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884524 YRIZUZZXYNJNMV-LJGDNWOOSA-N 453.503 0.345 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2c(O)nc(NC(=O)C(C)C)nc21 1800345230 LPQAFMFKMCJJNF-XOIINTDNSA-N 471.518 0.292 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C2 1800452344 YJPOUMOXBICRPF-YYAJDYIMSA-N 465.547 0.834 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)ccc2F)n(C)c1=O 1800682254 PZLHNTPYFVAHQC-MUJYYYPQSA-N 493.499 0.396 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1802127458 POFOSNOXSSNLMJ-LOUJCGABSA-N 475.502 0.008 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1802151514 FVXIDFCBZCDHRL-IVSAIRAKSA-N 463.535 0.039 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1803246617 MNOZWYDSXOCWIM-MDKPJZGXSA-N 484.509 0.754 30 20 JCED O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1804188311 SHXHLKPHMQTLFS-AVRDEDQJSA-N 467.526 0.338 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810328187 VZJDWNNNJNYQKG-IPJJNNNSSA-N 455.559 0.379 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1814209592 RGHWMHRMEWTAHJ-UQVNRYHBSA-N 485.585 0.727 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814985231 ATSMETIVIRQVAB-WMLDXEAASA-N 486.602 0.807 30 20 JCED CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1)C(=O)C(=O)O 1821716120 XZKKFTYUECZZBJ-VUYHKVBESA-N 464.479 0.474 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1824459700 UYLVBHRQWQKCRQ-OSZLDNFMSA-N 468.620 0.792 30 20 JCED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ncn3nc(N4CCOCC4)ccc13)CC2 1825015967 SPDZRPPOBUDEIG-ZDUSSCGKSA-N 451.512 0.881 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)C[C@](C)(O)CC(=O)O)sc2C1 1826068326 IEIBORMXXKYZJE-YUNKPMOVSA-N 451.549 0.953 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827402368 VVKJLSSZDJIGPS-PKYUIECSSA-N 486.533 0.575 30 20 JCED CN[C@H](CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)S)C2)C1)C(=O)O 1828988960 ACEYEDQLIKPUJF-PRCFCKQXSA-N 492.598 0.820 30 20 JCED COCCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332429 LEFXOBCRXYHTIT-HSZRJFAPSA-N 457.483 0.563 30 20 JCED Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n(C)n1 1829332618 SDKWZGYWGBEIPJ-RUZDIDTESA-N 493.520 0.882 30 20 JCED Cn1cnc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)c1 1829332755 XHNJDYNMSLAMGM-XMMPIXPASA-N 479.493 0.574 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829334625 JZWRQHQTKBVGSG-UQBPGWFLSA-N 496.520 0.147 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)n1ccccc1=O 1829903796 DDIDJCPDPUNSSA-CLOONOSVSA-N 464.522 0.980 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1830044354 CJYWAFGGKQVQKO-JOCHJYFZSA-N 466.655 0.765 30 20 JCED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830460412 JWTWGUBSXGRHHJ-DEOSSOPVSA-N 456.543 0.719 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1830569286 SUNQTVFQYRRWQI-HRAATJIYSA-N 473.592 0.248 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc4[nH]ccc4c3)C2)C1 1831401940 JUYJUBKMXUZHNO-KOSHJBKYSA-N 454.527 0.990 30 20 JCED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)c1=O 1831891004 RCYFVIJEDLDKKF-HSZRJFAPSA-N 454.458 0.780 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1832110523 QBPQOTOAXBVFKN-NRFANRHFSA-N 466.535 0.118 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)[C@@H]1CCc2nc(O)nc(O)c2C1 1833833679 XUHWCBVAKOGCOR-QGZVFWFLSA-N 467.570 0.978 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)cco2)CCO3)c1 1834606188 LGNNRPOKRJDQGO-QHCPKHFHSA-N 453.451 0.904 30 20 JCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834755910 MHGVEVAONUNNQM-OAQYLSRUSA-N 466.535 0.118 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4c(n3)NC(=O)CC4)CC2)CC1 1834972264 WTJVVQGFEYVMRC-UHFFFAOYSA-N 453.499 0.240 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1835145047 PVWNDNVOGIUFIQ-WMZHIEFXSA-N 480.583 0.898 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nc(Br)nn5c4)C3)C2)CC1 1835342625 ZGUVCSBESZUWAO-FQEVSTJZSA-N 489.330 0.866 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1835352169 PNRSSTVYWLVEHP-HYBUGGRVSA-N 454.527 0.795 30 20 JCED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)c4cccc(C#N)c4)CC3)CC2)CC1 1835481569 BLOCGBXDJYJBJP-UHFFFAOYSA-N 452.603 0.991 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1835675279 LZPJGMRHKYHFKE-GBXCKJPGSA-N 472.542 0.565 30 20 JCED CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)C(=O)O 1835752189 OUEPYGHCGNKGRA-CVDCTZTESA-N 458.515 0.010 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835976170 KWKFRBNGIQIYKU-QFIPXVFZSA-N 473.917 0.944 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1836213671 MGFFTFPXCQZRRB-IUKKYPGJSA-N 499.630 0.732 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cnn5cccnc35)CCO4)c2c1 1836850274 JUOSEMICIWKRAG-XMMPIXPASA-N 486.492 0.861 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1837214860 YUQRJLWWUBQBHC-XKDCRVNJSA-N 474.514 0.448 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1837446768 OREPHQSJWXOOAQ-RLWVUDJFSA-N 481.557 0.809 30 20 JCED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525746 PBNVAGYEDVQHDH-IUVMUOCNSA-N 489.573 0.977 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)(C1)C2 1837565175 NFQYKGKGWOFFJG-GRAFNAGYSA-N 459.499 0.498 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1837844337 MAKDPKJPZGYWCL-SFHVURJKSA-N 478.594 0.385 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c1 1837949779 VUUIRUIUJZPBGW-QHCPKHFHSA-N 465.466 0.739 30 20 JCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1838195493 LSCOCLPOEOZAJJ-UUVZMSSXSA-N 455.515 0.930 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccnc6c5OCO6)CCO4)C3)c2c1 1838480412 UKYWALBENJRDBA-DEOSSOPVSA-N 490.476 0.942 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838501539 KJULLHIIYVPBOP-HOYKHHGWSA-N 467.526 0.928 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838654268 UIGWEUJGPUNUNI-UUOWRZLLSA-N 488.541 0.774 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739274 POTOURNDMSMQJD-GYCJOSAFSA-N 483.500 0.914 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccn4)C3)C2)c(C#N)c1 1839131793 ZVHZPEQSPJOCQA-HSZRJFAPSA-N 451.483 0.670 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839139925 ZMWMWGIVPHCYBY-QHCPKHFHSA-N 498.577 0.304 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839174785 XEPLUYDCPLYFJB-QFIPXVFZSA-N 473.486 0.014 30 20 JCED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187345 XGHSEFQVISKRGK-HSZRJFAPSA-N 460.506 0.468 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)cc1C#N 1839238882 FEYZUNZESMHKSL-QHCPKHFHSA-N 468.514 0.707 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2)C(=O)O 1839423780 WJJSYOHCTZCVIY-UTKZUKDTSA-N 464.906 0.344 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1ccccc1=O 1839488355 MVHACCLFPOMLSL-GKVSMKOHSA-N 490.520 0.927 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(C(N)=O)cc5)C4)C3)c2c1 1839489123 NIZQZVITPKARDO-VWLOTQADSA-N 488.504 0.917 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839624899 XHGXZGPPUWUNCJ-QFIPXVFZSA-N 475.477 0.448 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1839899403 WLJAIQASOFQVGI-QFIPXVFZSA-N 457.483 0.347 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840055319 OTIKUMCUSNFVBG-HJPURHCSSA-N 496.561 0.449 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1)n1cnnn1 1840478919 GFPHSWZQGSINKD-VLIAUNLRSA-N 493.446 0.895 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)ccc1[N+](=O)[O-] 1840758027 MHBSDFSXIIEYOX-HSZRJFAPSA-N 489.529 0.955 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@@]3(C1)CN(C(=O)C1(C#N)CCC1)CCO3)C2 1840815553 YMIPUVUPXGXPBD-AVRWGWEMSA-N 499.568 0.772 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1840819621 WPRZSNLMEXYDPM-DEOSSOPVSA-N 476.493 0.750 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840820278 HTNKQWYPOQWITQ-XMMPIXPASA-N 488.541 0.918 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1843325438 BBGNWAHZVFUJIA-HQAFNOEHSA-N 454.524 0.604 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)C1 1845884382 FOZRYXXAXTZSCS-OAHLLOKOSA-N 499.572 0.903 30 20 JCED COc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)c1 502044724 OHYNMCHHGUODJR-UHFFFAOYSA-N 451.508 0.003 30 20 JCED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)c(Br)c2)c1=O 514918898 GSTHJRJZECKVBP-UHFFFAOYSA-N 495.374 0.300 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1F 726576771 AYSBKCNOXBCTIX-UHFFFAOYSA-N 470.507 0.780 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnc(C(F)(F)F)n2N)CC1 748172019 NACYYUNQAHNTKY-UHFFFAOYSA-N 475.478 0.508 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915384577 ZLODZGCTIXHYKP-UHFFFAOYSA-N 471.495 0.272 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nnc3n2CCCC3)c1 918272124 UEZWRMPHKDRNJX-UQQQWYQISA-N 459.532 0.682 30 20 JCED Cn1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)n1 1298843045 SWBKWNGEHQAJES-UHFFFAOYSA-N 450.503 0.981 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1299263188 SZLSUBWKDKNFFX-KRWDZBQOSA-N 480.573 0.654 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2CCCCO2)C1 1302485478 SANJUNSFVRKWJY-IKGGRYGDSA-N 454.553 0.299 30 20 JCED CCN(CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1313669346 WDKPOTPXEFZCLT-ZACQAIPSSA-N 455.585 0.070 30 20 JCED C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1510237742 USZZCFKWBMHKQI-LQWHRVPQSA-N 476.559 0.247 30 20 JCED CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1=O 1547690785 CCMRFLXAEAQAMT-UHFFFAOYSA-N 472.571 0.815 30 20 JCED CC(=O)NCc1ccc(S(=O)(=O)NC(=O)Cn2c(C(F)(F)F)ccc(C#N)c2=O)cc1 1559457472 QUHBWOOIXNJKKD-UHFFFAOYSA-N 456.402 0.880 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1589296702 XFKJJIDSDUBSAR-LLVKDONJSA-N 472.369 0.453 30 20 JCED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1=O 1698076495 ZFQFTBQRXCOTTH-WMZOPIPTSA-N 451.531 0.979 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)cc1 1778379415 FMFFRISINWTGPZ-DEOSSOPVSA-N 462.510 0.574 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1778976330 OOROASADUVKEEZ-DPSWKAHMSA-N 481.590 0.761 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021461 QDBJBSMBCOVYBF-NPJIFZGSSA-N 453.540 0.131 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1779100898 GWGHZIUZMIMUBB-CRESJJQNSA-N 480.543 0.458 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1780032681 MAVJSBONWHWBHU-UTBBOMKLSA-N 476.537 0.872 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)CC2)CC1 1781108476 GFTQSLFDVQKPQH-RQOJDHGWSA-N 463.579 0.125 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781110997 HEGPUIBKLMNVJA-HYFFOGBASA-N 469.604 0.963 30 20 JCED CC(C)[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)N1Cc2ccccc2C1=O 1783558112 OARFEZHQPOSSQT-URXFXBBRSA-N 453.495 0.585 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783836527 WPLZEXYGQFMMFC-JPYJTQIMSA-N 499.630 0.948 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CCO2 1783889123 QFPOTKMSOIOZCU-LTHGNAIDSA-N 477.649 0.797 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4C(=O)C=CC4=O)[C@H]3C2)c1 1784804101 KYHPXXGULCJJFA-VDGAXYAQSA-N 466.494 0.475 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)NC(=O)OC(C)(C)C 1785303778 JPNPVKWPKYKXRI-YGKZAACZSA-N 482.578 0.739 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CC)NC(=O)OC(C)(C)C)C2)C1 1785339881 FUGGEWNXPLFXEB-IFPQPJLBSA-N 464.563 0.978 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1785571498 CBKSDFCTKSABBC-UZUQRXQVSA-N 457.531 0.766 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786649165 YSVQQFLTMYBQRM-OKYOBFRVSA-N 499.630 0.708 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1788676746 DIPTYUXVHKXYPX-IXDVKQSYSA-N 453.499 0.503 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1790174437 DKNYAVKMQJSLHV-OVWQWFNUSA-N 467.567 0.091 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cnn2c1OCCC2 1790369809 CVNFKZMWAHGAPN-FODOPFFASA-N 461.519 0.788 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(C)=O)[C@H]2C1 1790869433 OBFXDEWBKQORGL-HZZCBIDNSA-N 464.563 0.407 30 20 JCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccc(O)nn2)C3)cc1 1792425521 CXYJBECARGYMSY-FEJSZKPUSA-N 451.483 0.655 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)c(Br)n1)C2 1792489914 BZTWSMFDUCBBDV-LEDMXFKVSA-N 493.358 0.914 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)C1 1793257612 MVVCJVIESADYMY-YWIBANCPSA-N 475.586 0.997 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NC(C)=O 1793374034 MBMBAFMBSRIXMM-MHORFTMASA-N 466.579 0.960 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1-c1cccc(=O)n1C 1795934552 TXSQPEYEQNRDIC-FEJSZKPUSA-N 451.527 0.886 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2cc(C)ccn2c1=O 1797068517 MVEVDZYRQXSYOR-WQDJSCAQSA-N 454.527 0.779 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncnn2c1 1797561264 ZSJHTZXBSURGIX-DMUMMCEESA-N 482.541 0.849 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(=O)Nc3cccnc3)c2c1 1797889529 MRXHZDIRZSPGCN-CCWDJLKJSA-N 459.466 0.671 30 20 JCED Cc1onc(-c2ccncn2)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1798488285 MVYKEKRMKSHKMK-HGKCTWBKSA-N 467.530 0.925 30 20 JCED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1800491062 LASIDIHZLLYUOZ-AYMMHLMVSA-N 455.559 0.823 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)=O 1800511964 MKWCFEXGUNEUJJ-SFNKJDCFSA-N 452.552 0.572 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCOCCOC 1800847481 AEKXLRABTABPPQ-RMFSNUHRSA-N 460.593 0.191 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2)C(C)(C)S 1800907721 KFLFCKJTVUOCAV-XJFOESAGSA-N 469.564 0.875 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2)NC(=O)OC(C)(C)C 1801930627 LYHGRIRURXUYJO-SUWCGCSTSA-N 489.573 0.692 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)Cc2cscn2)[C@H]1c1cccnc1 1808197887 CIRDHPYAYRSQNT-MZKUFZMSSA-N 468.583 0.972 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1812341122 BEUIUVKFDGBAQH-GHTZIAJQSA-N 451.531 0.626 30 20 JCED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2c2cccnc2)N1 1812443193 ALUAYRPBVLKTCD-XFGYDDDFSA-N 495.605 0.681 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814770773 ZZKJWTOAOYTYIT-LLVKDONJSA-N 460.449 0.289 30 20 JCED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n[nH]1 1815799668 KJLHMKZKZJECOQ-MRXNPFEDSA-N 480.529 0.653 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1819427632 GJCQTWYHGNWQEJ-LJQANCHMSA-N 461.563 0.387 30 20 JCED C=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CNC(=N)N)C3)C2)C1 1828488212 PSDYEILYUQERHW-DEOSSOPVSA-N 468.558 0.888 30 20 JCED CS(=O)(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC#N)C2)C1 1828910040 YQPKGAILNZMZFT-JOCHJYFZSA-N 476.555 0.787 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828960980 HDRAJNVEDNBBTH-DEOSSOPVSA-N 472.542 0.907 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(OC)nc3)C2)C1 1829764594 OWAUPXHKDVWDHG-MUGCXESLSA-N 472.542 0.338 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1829770031 CIAVOMLERBILFE-FUXKOTGBSA-N 455.511 0.305 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CS[C@@H]3CCCCO3)C2)C1 1829770454 QZUYAHGDPUVNLD-DGLJZFITSA-N 467.588 0.561 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1829778022 QYYSMIVGEKQLFE-QHCPKHFHSA-N 459.547 0.689 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO3)C1 1830881813 KVBXANDEKVAZCD-JPYJTQIMSA-N 467.563 0.685 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1831397679 VWQXXRXRFLQBSU-CODAWKSHSA-N 475.517 0.498 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1831999025 XEACGARSUTWBOB-CYFREDJKSA-N 496.605 0.781 30 20 JCED COc1ccc(Cn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)cn2)cc1 1832782456 DYYLVUGHXOMLSB-XMMPIXPASA-N 467.526 0.853 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(N(C)C)c1)CCO2 1833359676 UANBRGYTJQTJBR-IYZQMXKPSA-N 457.531 0.076 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCC(N3CCC(NC(=O)C#CC4CC4)CC3)CC2)CC1 1833428155 SNOMECSFLQXMOD-UHFFFAOYSA-N 464.632 0.643 30 20 JCED CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1F 1833738104 SJIMZQFENLLHGI-FCKCSMDESA-N 467.498 0.710 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)Cc3cscn3)CC2)CC1 1834715290 OQLNDIGCKZLRLD-FQEVSTJZSA-N 475.663 0.866 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1835098423 KMEOIIQPXBBYHW-DEOSSOPVSA-N 461.478 0.557 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1)c1ccc(O)cc1 1835517100 ROOMFWDICIYWCO-MBSDFSHPSA-N 474.583 0.972 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1835674993 IJHPKJFALJJPOF-MTNXOHHFSA-N 450.580 0.523 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1835678122 ZAWPLPRQWLRCJL-FQEVSTJZSA-N 450.927 0.482 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1835712968 CBPOAMIBOQNZDD-QFBILLFUSA-N 451.612 0.839 30 20 JCED Cc1c(C(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)cn2[nH]cnc(=O)c12 1836089928 MIOWVNIGPBBSTI-UHFFFAOYSA-N 496.616 0.798 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836378523 LTVSSDALEREGRX-JTSKRJEESA-N 481.571 0.287 30 20 JCED O=C1Cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)ccc2N1 1836789485 GGJSEQRYHSODBH-RCHKNJNJSA-N 466.494 0.963 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836872059 UETUJSRPJDPPJX-HPARJBSBSA-N 452.471 0.511 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837330053 FQWVNRXAJYEJPP-IYFPZQRTSA-N 495.602 0.937 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1837442099 OUFUVLFYSAMCQE-FYWXSZBBSA-N 472.542 0.886 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447746 SBGZPYCKUZPDOP-ZZAWEDPDSA-N 452.552 0.504 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837562112 DAKXARDIZAJHHZ-ZREPJCBASA-N 452.471 0.740 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1)c1ccccc1 1837613077 VHCJDWCMJKFMTB-NFBKMPQASA-N 462.568 0.685 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Cn2cncn2)CCO3)c1 1837647447 LMRGTTXCWKFDTK-JPYJTQIMSA-N 452.515 0.865 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837767875 OVRUJQIUTWOTGW-BTYIYWSLSA-N 455.458 0.905 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(-n4cccn4)nc3)CC2)CC1 1838484155 GKCCWXAKVFQVHF-UHFFFAOYSA-N 451.483 0.968 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccc(C)n4)C3)C2)c1 1838579337 JHIQFLSCKCMESF-QHCPKHFHSA-N 453.499 0.842 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CCO2)C1 1838585210 CQZRGJCHLVXYCP-OJLQRUNKSA-N 471.510 0.514 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)[nH]n3)CCO2)C1 1838666453 URLHWFDGQCOBHJ-GAJHUEQPSA-N 475.546 0.705 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)c21 1838738113 QTYCNCBEUBIYDN-QHCPKHFHSA-N 464.482 0.862 30 20 JCED CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839055333 FKSXHVULKSDOMY-OAQYLSRUSA-N 497.957 0.454 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1839130534 FYJBTTSKHHLZJF-YADARESESA-N 494.589 0.276 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccn(C)n4)C3)C2)c(C#N)c1 1839131968 KOYWUFMQMDIUCP-XMMPIXPASA-N 467.526 0.542 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1839176328 IGCNEPRVXRGUSR-HRAATJIYSA-N 456.492 0.514 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)CCOC1 1839190853 IBNXFZRVDKBIKC-BJKOFHAPSA-N 492.573 0.820 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1839229013 WYDHFHPVBZTUGC-IQGLISFBSA-N 498.536 0.987 30 20 JCED CC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1839401258 UKYGXSKEDHYKEB-LJQANCHMSA-N 450.289 0.980 30 20 JCED CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488051 USWXTSZGPBGBNJ-YWBKXGLFSA-N 454.531 0.878 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOCCOC)C2)C1 1839844010 BCMNYCJKMCEFJI-QPPBQGQZSA-N 486.606 0.741 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C1)CCO2 1840009037 VNNOBVRALAXWEI-DEOSSOPVSA-N 490.557 0.622 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1840019092 QNRJTGWKTHDOLY-GRJRYPSTSA-N 469.604 0.874 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1840026385 ITHQRYFKRMAXSC-NRYAXDJKSA-N 475.542 0.695 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Br)ccc3F)C2)C1 1840039963 FVEMXRVLHWKPDR-IBGZPJMESA-N 469.263 0.746 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(Cl)cc1[N+](=O)[O-] 1840043765 SWFJLPXWFKLMOK-HXUWFJFHSA-N 465.846 0.715 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4c(C(F)(F)F)cccc4n3)C2)C1 1840044591 NDVMFELFWABXGT-HXUWFJFHSA-N 480.399 0.511 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)C1 1840044667 QIVZYMATDHJBPE-OAQYLSRUSA-N 473.463 0.968 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(Cc3ccccc3)C(=O)OC)CCO2)C1 1840083540 JIIOEEHOHJLFPB-NBGIEHNGSA-N 487.553 0.750 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1840168049 DTPRFOOMRHZHAU-XMMPIXPASA-N 452.511 0.876 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840276754 AIRAOCIJDZUNBS-GAJHUEQPSA-N 479.530 0.178 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458627 PYWVJHDIYNYMTC-XMMPIXPASA-N 465.510 0.816 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC)NC(=O)OC(C)(C)C)CCO2 1840803627 OSMHVJPIFVTBAH-OIMFYEQDSA-N 494.589 0.605 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCOC[C@@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)C1 1840816470 VBICALBKOBJNIP-RPWUZVMVSA-N 492.573 0.509 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cc1cccc(F)c1)NC(C)=O)CCO2 1840858043 YFZVQQJESVUFCJ-XUZZJYLKSA-N 459.518 0.743 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1840909304 QAZSPNOCDTYQHA-WZONZLPQSA-N 475.546 0.325 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1841602488 QBPDDXGTDAIQBR-SFHVURJKSA-N 475.567 0.563 30 20 JCED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)CN(CCO)CCO)C2)cc(C(F)(F)F)c1 1846034404 NNJXRZAIBUJNCI-UHFFFAOYSA-N 454.449 0.681 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)C(=O)C1 1847122583 WMXPVPIIDDRUIJ-UHFFFAOYSA-N 490.605 0.551 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC2)C[C@@H](C)O1 514467943 SUFMGPFUWBEWSM-ZIAGYGMSSA-N 469.951 0.648 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)s2)C1=O 591221012 SJKSXQVZLZUEAJ-UHFFFAOYSA-N 456.546 0.414 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 604270469 QPQQSOFVKANFQL-UHFFFAOYSA-N 474.926 0.162 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 728536098 JLJAHQLBXSYTJV-UHFFFAOYSA-N 460.600 0.598 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCS(C)(=O)=O 729673509 SURSKNQOMLBDOW-UHFFFAOYSA-N 470.576 0.530 30 20 JCED COc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(O)c1 748343297 CFHNNUXCAYDBNG-UHFFFAOYSA-N 459.480 0.962 30 20 JCED CC(C)CNC(=O)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 890895478 XTSATXQZXRSZJA-UHFFFAOYSA-N 475.615 0.875 30 20 JCED COCc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1301174583 NAJXXZQVCLLUMU-OALUTQOASA-N 476.559 0.534 30 20 JCED C[C@@H]1C[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCO1 1304942986 JIPZAZQVVQRCCJ-NNFUDEMPSA-N 456.544 0.868 30 20 JCED CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1503290456 LGFMOLHORYAMAF-JGCGQSQUSA-N 455.588 0.986 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541138411 WPIPJLSEUOCZAD-NVXWUHKLSA-N 463.608 0.519 30 20 JCED CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1616001565 XZFSXDOINDXBQN-UHFFFAOYSA-N 491.574 0.899 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690219706 JUJRYNVLPDFKCF-TUAOUCFPSA-N 463.358 0.732 30 20 JCED CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1711287191 RNLIRQAHBNARKQ-UHFFFAOYSA-N 452.563 0.799 30 20 JCED COCCN1C[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1=O 1712467690 KDXJSQGZNRGKNA-LJQANCHMSA-N 495.588 0.504 30 20 JCED N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1712876151 VSSMYOOWOLPEQD-HXUWFJFHSA-N 461.523 0.846 30 20 JCED Cn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1CCNS(C)(=O)=O)CC2 1729603591 JBGNLJVVLFQDBQ-UHFFFAOYSA-N 454.516 0.022 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2ccccc2)C1 1731015426 SOOAAPIXZQRKLT-MOPGFXCFSA-N 460.560 0.973 30 20 JCED CCCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745789085 WDXUORHFMZTXSI-MRXNPFEDSA-N 466.550 0.417 30 20 JCED CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1750526988 VQGNGZOUKYWTIN-OXJNMPFZSA-N 485.586 0.164 30 20 JCED CC(C)NS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1751006519 XJMFLXNNJVLLLL-MRXNPFEDSA-N 473.607 0.935 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1767843740 JHQCBZQFDLJYFW-UHFFFAOYSA-N 457.560 0.861 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1769912993 WWCWZWVCMPMTFM-PMACEKPBSA-N 465.507 0.954 30 20 JCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1=O 1771138225 PHFNWOJHSPQQKM-KRWDZBQOSA-N 458.544 0.546 30 20 JCED Cc1cc2nnc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)c(C)n2n1 1779101794 QHQOGCWJFJPZSV-ICILYHDOSA-N 471.518 0.714 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](C)n3cnnn3)C2)c1 1782603247 DLURDISHMSIACN-YIFZBPKDSA-N 453.503 0.942 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1783133865 JQYWZOYCTPFENX-WSCWJOSJSA-N 454.527 0.977 30 20 JCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1783200801 IFRINEJYEQVTLN-FZKQIMNGSA-N 451.442 0.820 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1783269291 RWPAAXCGRWENOY-WZOHSFFVSA-N 492.617 0.749 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784597370 LBGFOTIEHQGMQD-IUKKYPGJSA-N 489.577 0.761 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1785575732 CHAMNFOEBBBGOG-JTSKRJEESA-N 450.536 0.259 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1785594014 LELZLCPQBOTUCD-UOKFIYJESA-N 476.574 0.908 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1785598573 UPAJSZOOQDTWCS-HPCCJCSGSA-N 476.574 0.812 30 20 JCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)c(O)n1 1786799838 QJSKGKMZFUHYCC-QZHFEQFPSA-N 459.547 0.092 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787493065 PGHXEJLLIASSOC-DNCCFGNJSA-N 452.577 0.751 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788660808 NTIMOGGZVWTDGU-OJFGAIAWSA-N 484.550 0.338 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788660809 NTIMOGGZVWTDGU-OJTMYRSZSA-N 484.550 0.338 30 20 JCED CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]43)CC2)CC1 1789805141 VLAPACCTJAFETB-UFYCRDLUSA-N 460.623 0.028 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1789890745 KRYTVVJXGVMHTO-ZOBUZTSGSA-N 474.539 0.859 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1789952296 AMIUFTZIEONYDY-ATIWLJMLSA-N 470.567 0.653 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]4CCO[C@H]43)C[C@@H]21 1790793361 ACBXCSAVJALRDN-REBNMZDTSA-N 461.559 0.871 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3)C[C@@H]21 1792255224 BFSGOIKLCRTZOF-HAGHYFMRSA-N 462.591 0.979 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)NC(C)=O)C[C@@H]21 1792255307 GWHDPXLFSPTFGL-HVTWWXFQSA-N 478.590 0.797 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n[nH]3)C[C@@H]21 1792258098 RUFSKZNPHJHVIL-MPTYRVRUSA-N 461.519 0.625 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792835902 RAHCVSFOXVJFQE-DAVFGYKESA-N 478.553 0.551 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccccc1I 1793070490 SITGYIZLEIYRFD-HBCWATKFSA-N 482.274 0.511 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795968906 VYYQEWFLIUOFAZ-DCXXXQMHSA-N 484.557 0.360 30 20 JCED Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)no1 1796418559 NYABIJBBQJJDCN-FAQVEIGNSA-N 458.515 0.600 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1797708074 BWNDQAXCLIEVHI-UKBAYJJMSA-N 465.572 0.403 30 20 JCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)[C@@H]1SC(=N)NC1=O 1797783354 NIZDTYZINZSLJP-HITLURFISA-N 462.572 0.077 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1I 1798115679 UUNZBZYTNGJYGO-NRWUCQMLSA-N 472.283 0.256 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=S)NCC 1800183264 HXYMSZUHVGVOLB-DFGXFYAUSA-N 483.635 0.529 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[S@](=O)c1ccccc1 1800209376 HGUOGTJFJMLKHH-DSEQXRGGSA-N 459.568 0.631 30 20 JCED CCc1nn(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1Br 1800775840 JRDXGDXYKGNBLP-CULMDFNYSA-N 453.293 0.036 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803913491 OSOVSRWXDWKHJX-XBAYNOOWSA-N 465.510 0.261 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1810279280 SLPHNMRRMVXDTD-HLEQABOQSA-N 455.519 0.157 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812875133 RLOAKSRXFKGJFR-KKSFZXQISA-N 470.507 0.429 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879051 DKLLCRAOCWDNAS-UWJYYQICSA-N 474.514 0.717 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cnc3c(c2)NC(=O)CS3)[C@H]1c1cccnc1 1812879389 DVXQUWPVPQEZOE-VLIAUNLRSA-N 465.491 0.928 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1819842114 VNMLHLAAXLYGKH-MRXNPFEDSA-N 494.639 0.484 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1828807970 BLHXSEHMYGZJFN-QFIPXVFZSA-N 451.487 0.644 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4c(=O)n(C)c5ccccc54)C3)C2)C1 1829669130 PQLMYDNOWXQROK-XMMPIXPASA-N 454.527 0.763 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)cc1C#N 1829961276 KPQIHIMFDBJGMG-KBMIEXCESA-N 484.553 0.942 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)c1 1830457668 CJKCUGBONVIVRG-QHCPKHFHSA-N 482.497 0.752 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CC)CCO2 1830514223 QQIHZVQNJDXIHO-GSHUGGBRSA-N 455.552 0.683 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1831435766 YRJAJHBQTKOWOO-URDVPIJWSA-N 461.515 0.804 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1831486732 FXINKHFJPRTUNI-MRUHUIDDSA-N 475.608 0.283 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cn(C)nc2C)CCO3)c1 1831875441 ORUXBPODNZGBND-HSZRJFAPSA-N 453.499 0.993 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832530876 JKCFUWUDFOHVFX-CJAUYULYSA-N 485.537 0.720 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833614455 MMIDTSOGLSHXGG-IOCYEQIYSA-N 489.573 0.402 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c(O)n1 1833698552 JNFKXCIGPOWVFE-XMMPIXPASA-N 472.542 0.598 30 20 JCED CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835769014 KCJTVCJGPDVHSX-NSRYLYFRSA-N 482.651 0.571 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835878340 SPOBMCSMJWVRGI-JOCHJYFZSA-N 487.586 0.625 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836131946 GOVREMCGABMMKH-VGSWGCGISA-N 478.550 0.204 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn(C)c(CC)c3Br)CCO2)C1 1836276288 JKOAPWWAEGCRTA-YCRPNKLZSA-N 497.390 0.853 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380718 CJCMXFJWEPAAMD-VGSWGCGISA-N 496.586 0.497 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)cc1 1836419046 OHAVCMAKZGXWAI-QHCPKHFHSA-N 452.467 0.943 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837529396 SJSOUEOTBIBILC-OYHJGKDFSA-N 472.502 0.328 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837529768 YELASGAASQSVET-REWVYZQPSA-N 472.502 0.328 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1837530283 KELRKVSSJKOGAD-PMMUTSNFSA-N 499.568 0.738 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(F)(F)F)nn1C)CCO2 1838076531 KZHYDEJNUHZYRC-BBIZLLLXSA-N 485.463 0.367 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838341370 SHOZKLKQEUSVTE-NTKDMRAZSA-N 488.541 0.307 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(Br)ccc1O)CCO2 1839137498 BAOWOCQELNKUQZ-FQEVSTJZSA-N 481.299 0.242 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1cncn1 1839188078 KEFOHUACQVPACV-ZHRRBRCNSA-N 456.478 0.549 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1839223951 CACNZHBTNUJIDV-VNZMSGEBSA-N 458.559 0.958 30 20 JCED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)c(=O)[nH]c1C 1839419946 DLUVMBBRQURRKY-QHCPKHFHSA-N 469.473 0.781 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cccn1 1839489150 ODLOXSDFTLZISU-WAIKUNEKSA-N 463.498 0.962 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1839670615 RUHTYIOMYKEASH-HSZRJFAPSA-N 467.482 0.511 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc5c(c4)CCNCC5)CCO3)C2)c1 1839693484 IOVRJQUARIPDSK-XMMPIXPASA-N 464.526 0.353 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839988184 ZVKLRFNSYAPDAB-NYNQOQISSA-N 464.519 0.680 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3C[C@@H](C[C@@H]3F)N1C(=O)OC(C)(C)C)CCO2 1840016695 SIPVUDRKRIHEMV-NANGKKJLSA-N 465.522 0.812 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840164776 GURVUTKMTBPVNG-JTSKRJEESA-N 453.536 0.132 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2)C(=O)O 1840763277 SJNRPODWCHGQNZ-NTKDMRAZSA-N 488.541 0.478 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815107 XFPJVZIRAZTJFR-HSZRJFAPSA-N 480.562 0.678 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)COc2ccccc2C#N)CCO3)no1 1840819954 QCDGGIICHQSIHY-XMMPIXPASA-N 497.508 0.120 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1 1840904723 ULTBNXRVXZQOMA-VWLOTQADSA-N 485.585 0.463 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1840906384 AHTAKTKDJBUXJN-AXHZCLLHSA-N 478.590 0.454 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1840912764 PUBZEZSSBJONBG-GAZXMLTASA-N 495.573 0.865 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ncn(C)n2)C1 1842355304 HFDDBEZNLXZHHJ-HNNXBMFYSA-N 491.549 0.438 30 20 JCED O=C(c1ncn2nc(N3CCOCC3)ccc12)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258730 MCDVEZFWZNROLS-CVKSISIWSA-N 480.573 0.855 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)CN)C2 1846366192 XUIJOKYLMGDNOR-CVEARBPZSA-N 467.567 0.590 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)cc1 1847213575 WWKYEHBLOZEWKA-XSDIEEQYSA-N 495.605 0.873 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C 1847804120 DIYNIZIPWHXQNR-YVSFHVDLSA-N 451.520 0.683 30 20 JCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 495223061 XXXPMJOFCZMVGF-UHFFFAOYSA-N 483.506 0.533 30 20 JCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 603591277 RYAQIGPTSORYDB-UHFFFAOYSA-N 474.543 0.745 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCNS(C)(=O)=O 608912900 IYTKBPBITPVTSI-UHFFFAOYSA-N 466.560 0.017 30 20 JCED O=C(CCNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)N[C@H]1CCS(=O)(=O)C1 643077813 HHAVLLATJQYRJG-KRWDZBQOSA-N 459.549 0.896 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 728535047 WHAKIZFUIGFTON-QFIPXVFZSA-N 492.598 0.044 30 20 JCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O 729672616 YBKFZMGZPLHYTJ-UHFFFAOYSA-N 488.529 0.583 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)sc(=Cc2cnn(C)c2)c1=O 837285725 QNISPXMAHRAPPP-UHFFFAOYSA-N 460.563 0.681 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 886321292 ZVQSPSUZHXVFMP-WHOFXGATSA-N 459.908 0.407 30 20 JCED CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 913173854 QRTACTYHFNRGJP-GDBMZVCRSA-N 471.557 0.194 30 20 JCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 917034746 WZJWJDQRMIJCAZ-RDJZCZTQSA-N 460.512 0.228 30 20 JCED Cn1c(=O)c2sccc2n2c(COC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)nnc12 918818518 SADXSITWTUMRDT-UHFFFAOYSA-N 472.508 0.815 30 20 JCED C[C@H](OC[C@H]1CCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 921094850 INRBGQAAPWCFLI-FUHWJXTLSA-N 465.528 0.518 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1313558005 MLNIFSCPEIOQFT-UHFFFAOYSA-N 475.575 0.679 30 20 JCED CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c1=O 1502235715 VQLAVTWADWIWKK-OXJNMPFZSA-N 479.538 0.283 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3(C)CC3)CC2)c1C#N 1543002199 RPTKOKXTRCKCJC-OAHLLOKOSA-N 461.596 0.929 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@H](O)CN1CCOCC1 1587655159 WTCODPPWJDUFIA-WMZOPIPTSA-N 452.577 0.291 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1706078291 VOHHBYRUJULIQM-NVXWUHKLSA-N 462.580 0.716 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2c(F)cccc2F)C1 1712706584 NGVYHEBDFOQVDQ-KBXCAEBGSA-N 482.513 0.861 30 20 JCED CC(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1723089617 KQBKEVICNPHKAO-QGZVFWFLSA-N 480.577 0.549 30 20 JCED Cn1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)n1 1748025937 ZINYEKUKKQOUGA-GOSISDBHSA-N 462.580 0.717 30 20 JCED CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1749952000 VHTUZFRGDZALEZ-JOCHJYFZSA-N 494.600 0.998 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1751206258 ROFXJAADBOIHRY-QAETUUGQSA-N 481.602 0.973 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C)N(C)C1CC1 1751230411 QFMKEKGLBQBEFF-RLFYNMQTSA-N 450.613 0.548 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN2CCCO)C1 1751278902 YYRPXZURRNWDGQ-NNMXDRDESA-N 495.650 0.588 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1778082875 YVCDYLSTJYYUDV-JXQFQVJHSA-N 461.559 0.848 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)CC1 1778355516 IIYOXOGYTIZLRI-NVIZVJJSSA-N 474.583 0.481 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1778371148 OJRINAFKZUTHDD-QHCPKHFHSA-N 472.546 0.886 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(N4CCOCC4)n3)CCO2)C1 1778972001 SBOLESVJLTXRBJ-CYFREDJKSA-N 458.559 0.935 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1779020535 RFLDWBNQTOQTEY-YQNSVDCASA-N 453.503 0.005 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779428516 MOBNFVOIPJSEJV-NVEFZCDLSA-N 469.535 0.645 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)CCO3)c1 1780173674 AQIPFDCJJGGYTL-BUTRMIIQSA-N 471.539 0.813 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC[C@]4(CN(C(=O)C5(C#N)CC5)CCO4)C3)C[C@H]1CO2 1781063177 PGSQJWWSEMUXFV-FNVCAUGXSA-N 460.531 0.898 30 20 JCED O=C(COc1ccc(O)nn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1781494887 ZKAQCSJGTJHHFC-WZONZLPQSA-N 472.542 0.774 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782191954 CDWXXHZEXLWXOV-SZNDQCEHSA-N 474.543 0.206 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cc2C1 1782560504 JUZNBKZTOMAEBM-GVFUYMABSA-N 457.579 0.634 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782650291 UFBPGNABLUULJO-AOMKIAJQSA-N 481.619 0.217 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)C(C)(C)S 1783166871 NUGSJPJOBILCHJ-GZWGPKMKSA-N 484.619 0.554 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)[C@H](O)C1 1783478903 VEQUBYKZYBJFKJ-FKSLSLAPSA-N 464.563 0.888 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783599303 AIEGTXAZHHWKSO-SAHWJRBASA-N 481.546 0.311 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COC)CCO2)C1 1783883248 GKUBFWAUJRLINO-KSFYIVLOSA-N 484.550 0.268 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)c1ccc(O)cc1 1784018961 SHZSZBHFDNHXJJ-UTSGNWPNSA-N 473.526 0.784 30 20 JCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1784204848 OQQVCMYCEIRUKP-SBUREZEXSA-N 464.563 0.779 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CC(=O)NC4=O)[C@H]3C2)c1Cl 1785028542 FMAFIQRVGOPLOS-BPUTZDHNSA-N 459.890 0.357 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786699293 KVMYKFHMDKDUPR-QAETUUGQSA-N 478.546 0.726 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)[C@H]2C1 1789703017 NNTVGAKHVXGMIG-XIRDDKMYSA-N 472.567 0.234 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1789957849 BYBXNNFASLCRCK-CVYDXHPNSA-N 463.491 0.537 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1789958143 MKJDQMLINPPHRS-FZCLSBEQSA-N 477.587 0.672 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)Cc4ccnn43)C[C@@H]21 1790788711 GETASSGOPNDABT-KANFNMMFSA-N 457.531 0.788 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261760 PSXHYIVLXGESTO-DURIQHOJSA-N 461.559 0.750 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13C[C@@H]1CN(C(=O)OC(C)(C)C)C3)C2 1793347880 MIJPHLORFUTDPG-CVCXRRAZSA-N 461.559 0.871 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1C 1794746712 JBSYDWFFKWIITC-SFNKJDCFSA-N 459.547 0.848 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795602600 SSMNPWIGVAMLLK-AIDSWVIKSA-N 493.605 0.230 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@@H](N)C(N)=O)ccc1Br 1795635549 DPYBRPMINCOUMW-CXHZTBPHSA-N 478.347 0.117 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)n(C)c(=O)n2C 1796982940 SRGWDEZCBFAENA-JSJNYSNDSA-N 456.543 0.653 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1797874034 ZUVUAPIJOUBRHU-NTNQKNOYSA-N 488.508 0.246 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O)c1ccc(O)cc1 1800199053 ACTZBBKJZYJPSC-KSYXXAMZSA-N 464.522 0.736 30 20 JCED C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800907897 MOLNDSVJZRBWDO-IBEHDNSVSA-N 472.608 0.312 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2)c1ccc(O)cc1 1801055931 UZWHULDFGJQRHT-FLFXDLLNSA-N 491.548 0.733 30 20 JCED C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1802295036 PIAFIDSCNOWBOU-DEQVHRJGSA-N 450.586 0.798 30 20 JCED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1803449929 GKUXDICQZPBSMG-IERDGZPVSA-N 453.524 0.966 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CN4C(=O)CNC4=O)[C@H]3c3cccnc3)c2c1 1804094043 BRJVHWGQJWBTAY-OPAMFIHVSA-N 486.492 0.701 30 20 JCED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804193154 UTWMSPVDFVMJPG-REWPJTCUSA-N 478.615 0.801 30 20 JCED N#CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1812443199 ANYBXQRHIZUHTL-YZLZLFLDSA-N 470.555 0.181 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@@H]1c1cccnc1 1812873724 DSPPUPDMXBIWNL-HOYKHHGWSA-N 490.520 0.211 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1814972163 FEGYUOMKFGCCHB-CQSZACIVSA-N 482.632 0.067 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](COC(C)=O)OC(C)=O)sc2C1 1819852021 RWWPTIMROQADBX-XFJVYGCCSA-N 451.501 0.588 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1823385318 BNTPNDJKXWQBAO-INIZCTEOSA-N 465.470 0.904 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cn1 1825665513 QLHJWFIRVSXUOX-GFCCVEGCSA-N 462.509 0.397 30 20 JCED Cc1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cn1 1828699263 JQZCSBFJTPTAJT-RUZDIDTESA-N 491.504 0.939 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cccn3)C2)C1 1829332183 BQEBAFPXTFBBTL-DEOSSOPVSA-N 479.493 0.423 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)n1cncn1 1829635486 JNKPUOBAQBZOCS-MBSDFSHPSA-N 452.515 0.800 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1829692894 ZXAJDJNYPOZXDX-NWVWQQAFSA-N 494.589 0.755 30 20 JCED CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1829894293 JRHKUVDUEAFJKR-DEOSSOPVSA-N 466.542 0.846 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5ncnn5c4)C3)C2)cc1 1829903075 FSKYOCQGYSTSPE-XMMPIXPASA-N 460.494 0.914 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1830297301 XPPOFTLNFIBIFS-JKSBSHDWSA-N 453.536 0.394 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1830881153 BGQNFUFLXXGLAQ-UUOWRZLLSA-N 492.573 0.773 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1831387805 KYRIQSIQQGBHEO-PNLZDCPESA-N 453.536 0.394 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3c[nH]c4ncccc34)C2)C1 1831403329 ZUATZKWKNNPOFN-HOYKHHGWSA-N 454.527 0.990 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1832005175 DKHIUFLMVGPCFQ-NTKDMRAZSA-N 479.574 0.882 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832208186 HSQMIYLFSHQQGP-HSZRJFAPSA-N 471.514 0.397 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832497807 RDJNFUYJCVLLFX-MVMRWKLOSA-N 469.494 0.995 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3ccnn31)CCO2 1833027421 DCHWAZNNXNGWNB-FDDCHVKYSA-N 473.530 0.265 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nc1F)CCO2 1833259669 BGTRKXSPLZLLHN-RMUOZIPVSA-N 466.897 0.803 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834251032 ILVVSTWBRHEJGY-UOKFIYJESA-N 489.573 0.960 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1cc(=O)n2[nH]cnc2n1 1834797443 XAKVDOKEKVVLKU-MFKUBSTISA-N 483.577 0.075 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)CCO2 1835278603 PHXRXDOVWDVCRI-HXUWFJFHSA-N 470.400 0.672 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1835678020 UXTWCFIGWCOGDM-HSZRJFAPSA-N 454.531 0.915 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cccc1C=O)CCO2 1835952510 SZPZZVYGWWVFJI-KGPYNAKISA-N 458.515 0.176 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836056267 LEUAXDLYCQIVFH-XMMPIXPASA-N 465.510 0.816 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836297716 FYMUSSFVSGSTLS-AOMKIAJQSA-N 478.550 0.653 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1)n1cnnn1 1836520547 LPXAZUZYUYRMIQ-BMSLLPBFSA-N 460.516 0.191 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1837404910 CZWAUBWTFGRGGM-SBUREZEXSA-N 499.580 0.975 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531423 MLOUKTMVODRUEW-DAUNCGNQSA-N 476.534 0.262 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)o1 1837531890 ZKVIFNKLFORFOZ-NOIVPASESA-N 478.502 0.837 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)C2)c1 1838732585 WBWXTWQKJGFGSD-MRXNPFEDSA-N 462.356 0.312 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1839044377 CBWGKJVFDMEGRD-QHCPKHFHSA-N 474.583 0.542 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NC(=O)c1ccc(Cl)s1)CCO2 1839055724 YEUOHIZZSBSZQE-FQEVSTJZSA-N 453.948 1.000 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCCCC3)cc1)CCO2 1839335760 CAESVVOGNLYTJE-XMMPIXPASA-N 455.511 0.835 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630469 ZSCSCCAKCUVGOZ-DEOSSOPVSA-N 467.526 0.727 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COCCC13CN(C(=O)OC(C)(C)C)C3)CCO2 1840008283 FBLAQAVERKTUIV-KOSHJBKYSA-N 477.558 0.350 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(Br)c1 1840040095 NTYNPFIHMXCZPH-NRFANRHFSA-N 495.326 0.545 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCCCC4)cc3)C2)C1 1840043730 QPHIFZMOOPCHMR-DEOSSOPVSA-N 455.511 0.835 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044059 JPNGUKQJFVXTIX-HOOSLVGPSA-N 493.557 0.614 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncn(C)n4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251798 YWDPOZGPZGASSU-SBUREZEXSA-N 490.561 0.451 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251808 ZFWDQUVZZSJMSH-NXMSCROESA-N 492.573 0.145 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819822 HJASPQTUONRDAV-UZUQRXQVSA-N 473.530 0.101 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)O)C1 1846171557 LOWXZNAGWHLPAR-HUUCEWRRSA-N 454.524 0.376 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)cnc2C1 1846196199 YJVJDMNFLWZKHU-UHFFFAOYSA-N 457.487 0.539 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1847262903 NVHDLMSTCIODGR-RIGXYXMPSA-N 450.536 0.322 30 20 JCED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C1CC1 511084972 GHVJRNJFZQAPLM-MRXNPFEDSA-N 453.520 0.814 30 20 JCED Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1S(=O)(=O)NCC#N 521270195 OFCBWPDNAVPMEP-UHFFFAOYSA-N 480.554 0.731 30 20 JCED CCOc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2cnn(CC)c2)c1=O 523579922 MRXKJGUJOHYNKB-UHFFFAOYSA-N 479.562 0.876 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(=O)N(C)C 604269971 AINSHASNUJWLSM-UHFFFAOYSA-N 483.413 0.851 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)c(=O)n2CC)CC1 604434494 YOETUMMUUHOHEB-UHFFFAOYSA-N 499.549 0.276 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 608828716 JEYVEJXCGBITPP-OAHLLOKOSA-N 492.557 0.661 30 20 JCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n(CC(N)=O)c1=O 608911560 JLZNCYUIKXWHMR-UHFFFAOYSA-N 482.543 0.678 30 20 JCED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 728280841 VIHFYRXKPWDRCF-UHFFFAOYSA-N 498.609 0.964 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCS(C)(=O)=O 729671652 SZHNMORNJGQLLV-UHFFFAOYSA-N 483.999 0.264 30 20 JCED C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C(=O)N(C)CCC#N 729756668 HKUIKXZJDPYSAR-KRWDZBQOSA-N 494.570 0.461 30 20 JCED C=CCn1c(-c2cccnc2)nn(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1=S 798190627 FVLZVZSBPJMKEU-UHFFFAOYSA-N 457.560 0.623 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccco2)cc1 918254673 LIUKYFGCCHBZMO-KHJVFXTQSA-N 462.528 0.998 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 918609771 AUQVVJOMANKGLM-JLPGSUDCSA-N 487.542 0.275 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 919048396 GNQHCQNJYYRERS-UHFFFAOYSA-N 461.540 0.616 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1299262445 MQISUIGPGCOPRI-UHFFFAOYSA-N 494.600 0.999 30 20 JCED Cc1nc(S(=O)(=O)N2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)cs1 1460048389 PFOGHIBNMJQZTO-QGZVFWFLSA-N 454.622 0.450 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)N(C)C)c1 1596831232 KOGALKGSIRAGGO-VQIMIIECSA-N 489.602 0.957 30 20 JCED COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1619780180 WUZWDRAVXSTCJJ-VGOFRKELSA-N 455.519 0.730 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697023842 QSPRLZJNGRJAOK-QGZVFWFLSA-N 475.575 0.688 30 20 JCED CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1710299305 XHWFZEJZGUJDOQ-UYAOXDASSA-N 493.682 0.092 30 20 JCED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1711022180 RWCBTWRKEGEWOB-MRXNPFEDSA-N 475.531 0.261 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1711292612 OIOQODLGSZRRRY-MGPUTAFESA-N 467.596 0.513 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(F)ccc1N1CCOCC1 1741946268 ZLQFPCOASKFZIQ-CRAIPNDOSA-N 493.565 0.641 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1778789103 RJMFTVDAGHIDNK-JXFKEZNVSA-N 450.879 0.720 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1779422342 DDXFICITYXOCOX-RDWJQRRLSA-N 463.491 0.544 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780594352 VFYRCNUNAXFEJX-MBSDFSHPSA-N 458.515 0.887 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1781047267 QNAYQSOCIYQREO-FIQUECFISA-N 453.536 0.382 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1781161655 RJUTXUIUODKQJI-FDDCHVKYSA-N 499.630 0.948 30 20 JCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3C(=O)N(Cc3cccs3)CC4)C2)C1 1782554015 OLEWXDLEWFEXJE-JOCHJYFZSA-N 453.524 0.677 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1783583188 LKYQUUAFXZWEPT-ZWBPQZFFSA-N 469.604 0.893 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)[C@H]2OCC[C@H]21 1783662079 RWBPDRFKURLDMQ-RYFDGZFISA-N 491.541 0.319 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)CN3CCS(=O)(=O)CC3)CCC2)cc1 1785836007 PUDLAIXYJGDYAB-HJWRWDBZSA-N 474.583 0.709 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787500525 LLKKXOYLRFNZKR-JLHDYFKBSA-N 466.560 0.278 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4sc(C)cn4c3=O)[C@H]2C1 1788036923 NBMOLMMWVNMXBU-GFXHUTCISA-N 485.566 0.516 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COCCO)C[C@@H]32)ccc1Br 1790197002 XMJGTDJAPOFENT-ZVZYQTTQSA-N 466.332 0.923 30 20 JCED CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21)C(=O)C(=O)O 1790636255 JFJPRWDJDMIERJ-CQDKDKBSSA-N 497.430 0.108 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)[C@H]2C1 1791434241 UUKHEQFPRKUNBQ-BCYZHJNNSA-N 477.558 0.931 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1791543333 XYWSSYVHCZOQJO-UVUJQTEASA-N 485.585 0.135 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792555662 CGXWYENYIGLOKW-BBIADKPPSA-N 482.562 0.944 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn2nc(N3CCOCC3)ccc12 1796431291 YXCBVHDNMVGKDC-AKHDSKFASA-N 466.542 0.856 30 20 JCED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCC#C[Si](C)(C)C)C(=O)C(=O)O 1797730451 CTMQMPXOBHPBDA-HGKCTWBKSA-N 451.596 0.170 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)nc1)C2 1797741282 YFSLBQLYVMICNJ-UYLXYHMOSA-N 451.531 0.942 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCN(C)CC1 1799184320 MTFLOXUSWINAGB-AFDCHOCNSA-N 491.633 0.129 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799196117 GQWUFHZVWJNCKX-STEXWYFWSA-N 495.573 0.313 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCCO4)C3)c(C#N)c1 1799239993 STIIGSSJSAXHCJ-FEJSZKPUSA-N 465.510 0.992 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1799366023 DMUVPMUDEFYSBR-CLWJZODNSA-N 483.562 0.361 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1799680647 VXBPQJSBYHLZGW-TWWGPRNNSA-N 472.542 0.924 30 20 JCED CCN1CCN(c2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)cc2)CC1 1800778505 CNDAWXWFPBWIAK-BBIADKPPSA-N 454.527 0.120 30 20 JCED C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C 1800878239 AFBDZMMPXIZBLK-DRYZZIBHSA-N 486.569 0.964 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1809603675 PMVUPHGYMOMINV-REWPJTCUSA-N 457.575 0.844 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)[C@H](O)N4CCOCC4)[C@@H]3c3cccnc3)c2c1 1810351484 LFURFDJALAZZME-MOADCYBESA-N 489.536 0.800 30 20 JCED NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1810355564 CJKGDLDWCZBOKU-YHLABLLNSA-N 460.535 0.209 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3CCc4nc(NC(=O)[C@H](O)N5CCOCC5)sc4C3)c2c1 1819892007 ZAXWWNGDNYYKQC-ASSNKEHSSA-N 481.538 0.767 30 20 JCED NCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCN2C(=O)OCc2ccccc2)C1 1829133693 OFLYWPGSBLTERO-SMXJJXQCSA-N 487.557 0.926 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1829267442 YGXQHCWSKFKBJL-VBKSFVIKSA-N 464.522 0.907 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1829762296 COJQREYQSVGACV-NAFJXCGOSA-N 466.538 0.806 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)[C@@H](O)C1 1830060841 UTSSIQGICWHCOH-QQMNAOGKSA-N 480.562 0.220 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1831427606 UJGREMBJCRENSN-LIRRHRJNSA-N 471.352 0.844 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831449721 PIYIWNCYKMCJEU-JPYJTQIMSA-N 477.583 0.628 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1831998768 SIXXUHKHGYOVFY-JPYJTQIMSA-N 477.562 0.809 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832879047 NDDPLZLPDXYMOU-WZONZLPQSA-N 462.547 0.164 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1833470125 AUSRULIWEYTWQQ-HSZRJFAPSA-N 452.596 0.191 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(O)cn2)CCO3)c(C#N)c1 1834588602 XFEHKSFHIIKZOJ-XMMPIXPASA-N 466.494 0.980 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834913359 KAIAMRHARIBKPC-LJQANCHMSA-N 493.630 0.596 30 20 JCED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834972115 RMLKPFLIMVNCLM-UHFFFAOYSA-N 468.562 0.766 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1835351071 JIHGAEFYCJQMBP-FDDCHVKYSA-N 495.598 0.890 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1835359872 MJVCBENILYRRRA-QHCPKHFHSA-N 450.499 0.944 30 20 JCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCCC2=O)CCO3)cc1 1835407281 OJOQPKATYIXMPW-DEOSSOPVSA-N 454.527 0.570 30 20 JCED Nc1n[nH]c(CCC(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)n1 1835666749 YUHHKPYUZWNFNQ-MNQDVBFDSA-N 476.582 0.420 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1836124456 JKZGEEHAIJBFFT-JOCHJYFZSA-N 487.557 0.817 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837291772 QDMJKTXENKZLDP-ZQMYSKGWSA-N 459.499 0.769 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cncn3-c3ccncc3)CC2)CC1 1837327136 RYILRWSGEZQXJP-UHFFFAOYSA-N 451.483 0.968 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1837396451 HGTNYRAWYUAURE-KSFYIVLOSA-N 464.519 0.341 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1837397044 LYDYOHWEKPTSFF-AUSIDOKSSA-N 495.598 0.269 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1837402792 FGQANOKSQZSPNM-GBXCKJPGSA-N 469.542 0.910 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1837403182 ILDXEVGQVFJJSF-RGZWJVDOSA-N 474.558 0.229 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1837403869 UQIGOCMIRYXVHY-AUSIDOKSSA-N 466.575 0.949 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837447420 NZFPDPHGHRFFEP-RBWLTTHTSA-N 493.605 0.783 30 20 JCED CN(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nc1 1837524433 HTPHFCRMXFRLOI-COQMUBBDSA-N 475.546 0.747 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1837531150 XKFVXVQSZABQED-XQHLYRQSSA-N 471.514 0.933 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837532935 IDOXPBIYVMOFHY-UEVPCVAJSA-N 462.503 0.315 30 20 JCED O=C(NCC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1cccs1 1837559959 KTCNTYHZJJCKHY-JBMWNJKUSA-N 474.539 0.646 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837563549 ORICWAQBYUXZBE-NYNQOQISSA-N 452.471 0.740 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838582564 SQNWQSWPRIIEQO-OSPHWJPCSA-N 472.542 0.942 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4COc5ccccc5O4)C3)C2)c1 1838732204 GJWOKSYQKBXBFV-OFNKIYASSA-N 452.467 0.796 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(N(C)C)o4)C3)C2)c(C#N)c1 1839131788 ZNFVUYNIPYOSAT-XMMPIXPASA-N 483.525 0.934 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1839175915 LLRYXYPZODWCLF-QHCPKHFHSA-N 459.499 0.365 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210179 GXXUKVUKNCITKP-VGSWGCGISA-N 453.536 0.132 30 20 JCED CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839643488 PAYWQXUJODUOMU-WAIKUNEKSA-N 454.531 0.845 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)n1ccnn1 1839705647 NQHDFUNLUPHLJR-JPYJTQIMSA-N 452.515 0.800 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840164631 DIPZWKNBZYDVHD-QVKFZJNVSA-N 452.529 0.627 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840289452 ACYYHDLQBAHXQO-UUOWRZLLSA-N 475.542 0.782 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)NC(=O)OC(C)(C)C 1840795397 FZFIRABTGXPISX-LYXWCMDISA-N 496.605 0.025 30 20 JCED Cc1ncncc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819913 NSJOAKGOOKFHML-HSZRJFAPSA-N 451.483 0.806 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]n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c1sc(=Cc2ccnc3ccccc23)c(=O)n1C1CCN(C)CC1 518230551 ILNVJVWNVRZCNY-UHFFFAOYSA-N 477.590 0.990 30 20 JCED CN(CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 603441050 SBVWRAMFQJMLSD-SJORKVTESA-N 455.558 0.373 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)c(F)c2)c1=O 729671623 RDBGLCHLFMTFQW-UHFFFAOYSA-N 453.492 0.014 30 20 JCED C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 758310315 DDGSQMONDJURMW-HSZRJFAPSA-N 497.533 0.985 30 20 JCED COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 821739651 MBLKZCKXIUNLNN-UHFFFAOYSA-N 474.495 0.340 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 914820457 APHHPHBUKLTWLO-IBGZPJMESA-N 496.545 0.987 30 20 JCED CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918442316 IWEOXXUEXRHGOO-NKFKGCMQSA-N 499.615 0.368 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2COCCO2)c1 918456137 PGRSILUVAIIXGF-PDNPPFGYSA-N 452.533 0.750 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2CC(=O)NCC(F)(F)F)C1 1302480395 RQUUARHPWJLCMS-AWEZNQCLSA-N 493.512 0.420 30 20 JCED COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1=O 1316123747 STVMHAHJTPRGRZ-RTBURBONSA-N 481.557 0.925 30 20 JCED N#Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]2CCCO2)cc1 1318324639 DQCFRNWVWYQUCF-LJQANCHMSA-N 460.556 0.809 30 20 JCED COC(=O)C1(C#N)CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1449431502 ZMAIPNFWLLSOMO-UHFFFAOYSA-N 451.501 0.822 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1=O 1504911068 PXENBHKZPXEGEH-LJQANCHMSA-N 487.586 0.536 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[S@](=O)C(C)(C)C 1510218268 MPJYFXMYYQYCLN-WJTLPSFJSA-N 471.653 0.612 30 20 JCED CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1541406015 WRWDLQIHRYBGGK-XDNAFOTISA-N 468.580 0.401 30 20 JCED CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1545711273 QDUUOLZKCGLAFV-QGZVFWFLSA-N 488.618 0.403 30 20 JCED CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1615881552 XNNOUMRTPUWRMI-OTWHNJEPSA-N 465.624 0.183 30 20 JCED C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)N(C)C 1692721645 UQZLDZXSOXNEQF-SFHVURJKSA-N 454.579 0.889 30 20 JCED C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1692857494 ZWIVRBIIDWHFNH-DYESRHJHSA-N 457.560 0.942 30 20 JCED CNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696895917 ZWBFEVACSXGMPP-KRWDZBQOSA-N 486.602 0.546 30 20 JCED CN(C)C(=O)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1729303330 SEZHMTHQPKVVHO-LJQANCHMSA-N 489.602 0.987 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1750998896 WSFPEDRRYFJZSK-UHFFFAOYSA-N 474.516 0.845 30 20 JCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1766383865 YULBVNRBWXGNPR-INIZCTEOSA-N 475.575 0.677 30 20 JCED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777820394 CRUBGGBJRLQNDK-OPAMFIHVSA-N 457.535 0.933 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1779422400 ZATPVUBJQRFJIQ-DQGFMTEYSA-N 487.517 0.074 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)CS(=O)(=O)N2CCCC2)CCO3)ccc1F 1781298659 NRAIUHGBXOBITG-JOCHJYFZSA-N 478.546 0.495 30 20 JCED COc1cc(/C=C/C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(OC)c1OC 1783038954 URSJJEVCFNWJQT-NVIZVJJSSA-N 458.467 0.644 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CN3C)C[C@@H]21 1783529410 MHFQXDXNSRVVLB-XZMSPFFGSA-N 466.582 0.881 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4[C@@H](O)CCN4C(=O)OCc4ccccc4)C3)C2)CC1 1783645861 CWLCQAMJQBFHRI-RLSLOFABSA-N 482.537 0.892 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1783918452 XMXGEUFQFWALQF-ZVZYQTTQSA-N 481.900 0.111 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CC(N)=O)[C@H]2C1 1784604452 LJUYBCSAHAOQOI-ICUGJSFKSA-N 464.563 0.394 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784604499 YCQZXGRZFMYOPO-GCKMJXCFSA-N 463.539 0.533 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1785574790 RUESWFSMMUYICZ-QRQCRPRQSA-N 461.519 0.925 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785633816 WGIIFFHULKBVKB-BMFAXAFESA-N 488.541 0.596 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787493384 UGHMGNYSUBEPIW-NBZNJJEASA-N 469.567 0.883 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1788632201 LHUUGIBQOLKNRP-JYJNAYRXSA-N 460.449 0.770 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5nc6ncccn6n5)C[C@@H]43)c2c1 1790327176 VRQUXBAVPZCAIA-ZVZYQTTQSA-N 471.481 0.779 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncnc3)C[C@@H]21 1792261451 GZGDYPRVKHXEBV-KANFNMMFSA-N 457.531 0.987 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1792266695 OURZOXZRJRWKOP-SOWBTEIWSA-N 464.563 0.572 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792424148 GVJHVKFNVHYUCU-GJPCKUABSA-N 476.537 0.689 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)CC1 1792556393 AFJKMESOIJCXHX-VTYHHJSWSA-N 474.583 0.362 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(-c2ccccc2)n1 1796539942 VZPLSVAEMYSCGF-IZZQQSIFSA-N 451.531 0.752 30 20 JCED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c(O)c1OC 1799664620 JVAVMMYFSASNEA-JLVBRIDZSA-N 460.531 0.894 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=S)NCC 1800187150 YFFRISNVROSOGV-SFNKJDCFSA-N 497.662 0.920 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(NC(=O)OCc3ccccc3)CC1)C2 1800778345 MWEAPINUPCGFSL-XEMDLRDOSA-N 455.467 0.123 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1801244471 TZJUNJJKNWBXQH-MVJTYMMSSA-N 472.546 0.739 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccsc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801258250 YHRMELARJHWBOK-AXVVYFOYSA-N 491.566 0.862 30 20 JCED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(OC(C)C)c(C#N)c2)c(=O)nc1O 1801851028 UPNBCKKKZXIFMT-HATOLVCRSA-N 495.536 0.820 30 20 JCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1801966591 DCBRHYRUOXKWSF-HATOLVCRSA-N 462.591 0.932 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1802126361 HGOYSGPQHVIWSI-PTIUUAQKSA-N 491.614 0.519 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)ccc1F 1804355756 VJKNIRSWGAAUMS-PERKRYKHSA-N 478.484 0.939 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1808423564 UMXLDSSDYVNIQR-FKXJXIBSSA-N 486.594 0.875 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815669460 IRIUYPUMVDVRRP-INIZCTEOSA-N 465.470 0.904 30 20 JCED C=CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824808963 OYQKBCYJDIONMN-FPMFFAJLSA-N 463.585 0.811 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2)C(C)(C)O 1828310545 DIGORKPVTHSSSS-BDJLRTHQSA-N 480.543 0.807 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ncnn3C)C2)C1 1828579317 FEMHLZCLWBLILI-UQBPGWFLSA-N 494.552 0.919 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1829123190 DSIKCZCUTQSRNC-UUOWRZLLSA-N 475.542 0.322 30 20 JCED C[C@@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1829221630 SIVDNFLIBFYEFE-KBMIEXCESA-N 466.538 0.986 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1829267117 RJHBVGZVJZRKAC-HYBUGGRVSA-N 470.526 0.223 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1829471818 ORRPTMNNLNTKFF-MHECFPHRSA-N 485.541 0.145 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1829764622 QMALHQOUDQGWSD-IYZQMXKPSA-N 489.529 0.091 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1829770073 DACBIERBNVDFGO-YOXWTLATSA-N 459.528 0.324 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831223801 ZVQHBGVBPMJHDS-CYFREDJKSA-N 459.543 0.773 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(Br)cn3)C2)C1 1831387872 RXMYXEWWSSOOFS-IIBYNOLFSA-N 480.359 0.881 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1831393683 ZUEQLQFMXQYZRW-ZHRRBRCNSA-N 474.539 0.173 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1831399146 PYYBTUYUYXJEMK-NBGIEHNGSA-N 471.554 0.632 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1831425201 AHLBPNARWBHPPQ-CMJOXMDJSA-N 457.483 0.483 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncn3nc(N4CCOCC4)ccc23)CC1 1831670325 SHKWZASFEPTAAE-LJQANCHMSA-N 494.552 0.887 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c(Cl)c1 1832024399 CJHZDUKZMFRBOD-HSZRJFAPSA-N 486.912 0.597 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)CCO2)C1 1833566540 ICPZTWIWSIHQBR-WAIKUNEKSA-N 490.557 0.819 30 20 JCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833833427 MYBVUYIOERRATM-UONOGXRCSA-N 463.604 0.883 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756188 TXSIVYHZUWEJKQ-CECAUBDESA-N 466.535 0.381 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)nn1 1835101887 KHFAPZDAJRPWCE-XMMPIXPASA-N 450.495 0.997 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1)c1ccccc1 1835123925 XBGACOIWGHNWJK-CZSZKKDXSA-N 453.539 0.919 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)c5ccccc5C4=O)C3)C2)CC1 1835340935 JCVYWFWPOYQMSI-DEOSSOPVSA-N 466.494 0.433 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835642851 YYEADLXEMUEFEC-UZUQRXQVSA-N 490.561 0.198 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835677902 PXHADYGIYQLPED-DEOSSOPVSA-N 460.575 0.423 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836321709 CJXXWCAKJXCWBK-YWZLYKJASA-N 498.462 0.489 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4nc[nH]n4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1836353529 CTSZFGSWECPQRT-KSFYIVLOSA-N 476.534 0.440 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)c2C1 1836773194 ULJQGAPLTGLGCJ-JOCHJYFZSA-N 489.533 0.012 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1837392643 GLJVVEHYZCLFCB-VLVQHTJOSA-N 490.557 0.022 30 20 JCED CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445950 CTLHRBNGTFZKCG-XWMMLSLGSA-N 454.524 0.476 30 20 JCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493467 GQWOTFMAOASCDB-UZINWLIJSA-N 488.581 0.897 30 20 JCED Cc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1F 1837525552 XFAIVOAHLXQNHY-WDEJNSOPSA-N 453.471 0.456 30 20 JCED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)s1 1837526852 GUCWALLCRWLKEY-DAZNYIQLSA-N 467.548 0.374 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1837728140 URWQJOKKPHUQAM-XUZZJYLKSA-N 472.542 0.098 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838634106 YANFHOQPBNJDCJ-WAIKUNEKSA-N 491.545 0.309 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)nn1C 1838835062 IFDSDUVYKQHGES-QHCPKHFHSA-N 479.497 0.560 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc5ncnn5c4)CCO3)C2)c1 1839049046 GPFXGAMENJNSEM-XMMPIXPASA-N 460.494 0.914 30 20 JCED COCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131161 PKTCGLFKHHKSPB-HSZRJFAPSA-N 480.562 0.630 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1839174909 CMVKOYCKVIBXPX-QFIPXVFZSA-N 462.503 0.245 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1839844433 JCWZEFYGCWVHCF-KSFYIVLOSA-N 462.572 0.560 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(Cn4ccnc4)cc3)C2)C1 1840041079 OSGWXCXHARSIKM-GJCNFQEQSA-N 478.505 0.489 30 20 JCED CC(=O)Nc1ccc(Cl)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044863 BUOBXEIPNKEICK-OAQYLSRUSA-N 463.874 0.456 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840063293 ANRKJFFGEHACOD-QHCPKHFHSA-N 452.467 0.808 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1840108008 CHCIRKXGWJAZOZ-RHGYRFJNSA-N 494.589 0.438 30 20 JCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2)C(F)(F)F 1840371875 GNQGGTSBBDEZSM-VQIMIIECSA-N 473.452 0.032 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840410770 KOZLYTKDKDABOK-QHCPKHFHSA-N 458.515 0.010 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840606472 JORXEVLFMBTNOP-NRVLJVOLSA-N 479.574 0.805 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1840714800 HUXJRIHDFKIQCL-HFXUHXBXSA-N 474.514 0.448 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1840854465 CARXWDGRVLMCML-WIOPSUGQSA-N 486.569 0.871 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840885246 VICJHTVAYSLZML-JHPLOVCFSA-N 469.535 0.561 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccon3)C2)C1 1840907583 YOOABCHEHRZQKO-ZHRRBRCNSA-N 462.503 0.661 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCCNC)C1 1842917171 WHKKUCLIFWXMNT-QGZVFWFLSA-N 481.594 0.995 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2ccnn2)C1 1843103436 TXJXEIQJLUJJLN-INIZCTEOSA-N 491.549 0.287 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844303605 OZQPLLYIUYBRJD-JAUGKAAISA-N 481.550 0.488 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC=O)C1 1845181352 ARCMYLIIDIZMDE-HOTGVXAUSA-N 481.550 0.130 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1C(=O)C=CC1=O 1847950509 NULJZZFFKMJGRH-LOEAVSEUSA-N 472.542 0.973 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3)c(=O)n2-c2cnn(CC)c2)CC1 522385119 LFEGBLIGAOHZAC-UHFFFAOYSA-N 492.605 0.791 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 523251941 QIILJKQRAZMMAU-UHFFFAOYSA-N 459.531 0.955 30 20 JCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 590663683 SYQFQNPEMZPYOP-UHFFFAOYSA-N 465.539 0.706 30 20 JCED Cn1nc(Br)c2c(=O)n(CC(=O)OCC(=O)NCc3ccc(C#N)cc3)cnc21 727221493 SKIKRTCSQOVNRP-UHFFFAOYSA-N 459.260 0.624 30 20 JCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cn1 729030093 AECWTCJLMYVLJX-UHFFFAOYSA-N 473.507 0.770 30 20 JCED CNS(=O)(=O)c1cc(NC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1C 749274658 LELPXRYSTXBAJG-UHFFFAOYSA-N 494.551 0.514 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O 828091649 UAXIEJBIGVJIKL-HOTGVXAUSA-N 464.544 0.694 30 20 JCED COCCCNC(=O)[C@@H](C#N)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 917422702 MXIOLIBQZKORBZ-INIZCTEOSA-N 478.527 0.631 30 20 JCED COc1cc(OC)cc(N2CC[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)c1 1294465149 VBAMHIQZGGQSCA-IBGZPJMESA-N 458.496 0.775 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1305121836 LEMXTVYFVFKMKQ-LSDHHAIUSA-N 452.523 0.084 30 20 JCED COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1315496925 IYFIWJVDPLEIDM-DNVCBOLYSA-N 465.511 0.505 30 20 JCED CS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1316364418 YZLIAOYKMRLEHB-KRWDZBQOSA-N 478.600 0.770 30 20 JCED Cn1cc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CCNS(C)(=O)=O)cn1 1517376945 ZGKNAUDDZQEIDH-UHFFFAOYSA-N 469.575 0.422 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1545929189 SHHJZIQQSABFHO-GDBMZVCRSA-N 453.569 0.207 30 20 JCED C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1618176811 VZZIUNWGUFDFON-ZWKOTPCHSA-N 456.572 0.947 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C2CC2)C1 1692853443 NMABGWNRVUHKPI-UZLBHIALSA-N 465.580 0.267 30 20 JCED COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1=O 1730779414 PTAJPRMNQASEPY-PKOBYXMFSA-N 481.557 0.891 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 1749885850 WVRWKCISHPZSMZ-KRWDZBQOSA-N 450.547 0.648 30 20 JCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1750208898 ZFILBEGPUWOZQI-IEBWSBKVSA-N 471.543 0.882 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1769138408 ZNBYDHZVHHOYDC-UHFFFAOYSA-N 472.571 0.937 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1778379631 FPMDHVCEJQVOTR-DEOSSOPVSA-N 478.509 0.654 30 20 JCED O=C1CCc2ccc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)nc2N1 1779017386 ONRWGAPCBCHNHH-NHMXVPMISA-N 454.531 0.882 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779093023 XHWRKYVODHSUIG-UNMCSNQZSA-N 451.640 0.518 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1781292184 UIQSMAAXJVBTFK-KXNSMUHISA-N 493.561 0.274 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCN(C)C3)C1 1781429258 SXWNJVJRQAIVJN-NRKRDLSISA-N 484.601 0.705 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c3c(nn1C)CCN(C(=O)OC(C)(C)C)C3)CCO2 1783054472 GJTSFHHBXLMAFD-QHCPKHFHSA-N 457.531 0.790 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783455172 GEOMBNHZVJWFNF-VLIAUNLRSA-N 468.576 0.900 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783604052 YWLGTUFPQUOBGF-NYHFZMIOSA-N 464.519 0.576 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783901702 UPXGOHFQUWGISU-VFCRVFHLSA-N 473.592 0.981 30 20 JCED CCOC(=O)c1c(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c[nH]c1C 1784235332 VGNNTRDCAYAZAK-BZSNNMDCSA-N 459.499 0.500 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1784785852 HGSVNOZEPIVQAJ-FJIDUMEYSA-N 480.562 0.888 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785308773 SJKSADCUVCRIKH-ZHRRBRCNSA-N 452.552 0.941 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]3C2)ccc1Br 1787426942 PQMKRVCVMCWKQL-CSFVBSKPSA-N 450.337 0.200 30 20 JCED COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)cn1 1788659357 KDKXIBKKTUFVAR-FIKWUPFASA-N 474.514 0.991 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)N4CCOCC4)C[C@@H]32)c(Cl)c1 1790230816 CQJIXNOYMKEPLA-WRGRXTPVSA-N 462.934 0.456 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790751187 SAWPLQJQSGHLPR-VPAKFMSCSA-N 497.614 0.460 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4nccnc4CN3C(=O)OC(C)(C)C)C[C@@H]21 1790794672 CZTQDPQJJYDITN-FVCZOJIISA-N 469.542 0.751 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(Cc4ccccn4)CC3)C[C@@H]21 1791074387 XWYJNXFMHAFJRC-JBACZVJFSA-N 454.527 0.361 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Cn3cncn3)C[C@@H]21 1792257657 ZWKMGCAZYSAISR-FSGKZVOOSA-N 488.589 0.811 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(NC(=O)OC(C)(C)C)CC3)[C@H]2C1 1792336650 XJOKIYRAYAYWBZ-AKSSPNHOSA-N 476.574 0.882 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)C1 1792635613 DQYPIGBOGLDEOU-YYIAUSFCSA-N 450.536 0.762 30 20 JCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C2 1793356149 ZTZKRKYAWWLXNH-LAVAIGHBSA-N 450.557 0.813 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1793604170 FGTRDEIIDHZHII-UKBAYJJMSA-N 473.530 0.725 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796444478 UXZLNAKPDTVAAU-WGGRKMMXSA-N 454.570 0.757 30 20 JCED CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=C/C(=O)c3cccs3)C4)CC2)CC1 1799191375 ZFWQROLVCOJPCE-RVQZLYQJSA-N 472.611 0.857 30 20 JCED CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)Cc3ccc(F)c(C#N)c3)C4)CC2)CC1 1799192248 SDCSOEMQVOMYMA-JHDGKUDLSA-N 469.561 0.609 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800726385 RJCJTVDRWBRJPO-VNXBCOTQSA-N 461.515 0.452 30 20 JCED CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779174 WZDLGYUKQWQKIF-GMQQQROESA-N 471.510 0.615 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O)c1ccc(O)cc1 1801121043 SNPPGWJMJVUARH-VVMIZEJSSA-N 465.506 0.404 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCNC(=O)COc1ccc2scnc2c1 1801369048 VGJFTJOEIKQMLA-MUJYYYPQSA-N 484.534 0.908 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)C(C)(C)O 1802151199 BOUVQTBVVDGUDB-HGJOCITESA-N 495.621 0.712 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1802233754 MKXPOKLMZAZGKV-UJWQCDCRSA-N 465.547 0.250 30 20 JCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)cc1 1802576976 ZPRCVDQICNOKBR-IPJJNNNSSA-N 460.494 0.800 30 20 JCED CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)C(=O)O 1807203988 KJUPAYVPUMHYSR-KNKQGSTJSA-N 456.543 0.849 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)[C@@H](O)N1CCOCC1 1810353971 MTWDODBXQZQUOZ-HWBDUYEJSA-N 458.563 0.210 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCN2CCN(C)CC2)n[nH]1 1817152462 UZPJKNYRWIFIAO-QULHZPMSSA-N 457.579 0.898 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)C1 1825674729 NTVMYVUNHGBVMB-LAJNKCICSA-N 478.527 0.515 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CNC(=N)N)C3)C2)CC1 1828921324 RQBZONPFYNHZGO-HSZRJFAPSA-N 467.530 0.225 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCN2C(=O)OCc1ccccc1 1829106079 YFNJCVOVYRPLLP-RUZDIDTESA-N 467.570 0.319 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cc3ncccn3)C2)C1 1829330928 TZJUHRMEGQLGIV-VWLOTQADSA-N 491.504 0.559 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830059797 GQRQYOQDBBUIFP-JOCHJYFZSA-N 468.551 0.534 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1)C(C)(C)C 1831095140 HPSQOGNQTGLETR-AQOAWAETSA-N 454.568 0.795 30 20 JCED COC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1ccccc1 1831207689 YQPDRGGULGTKHN-QPPBQGQZSA-N 455.511 0.954 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3COc4ccccc4O3)CCO2)C1 1831228840 MXQDETHFRBZHKJ-KBMIEXCESA-N 486.569 0.955 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1831412069 BVKMAIKLXVVVRY-QHCPKHFHSA-N 492.598 0.331 30 20 JCED Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831812312 YTBWULZXCGLABX-VFJYRVFXSA-N 463.535 0.636 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1831999716 ALHLHMFEDBRBJD-FDDCHVKYSA-N 477.562 0.878 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833074811 CRIMFVNOLFGEND-ARJAWSKDSA-N 457.531 0.536 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833616070 WNCIJOMWXVJDGK-RUZDIDTESA-N 488.585 0.971 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)NC(=O)OCC)C3)C2)c(O)n1 1833699985 KDYICSVUMMKXET-WMZHIEFXSA-N 492.529 0.040 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(O)n2)CCO3)c(C#N)c1 1834193534 ICLMDYOKPXGQRB-XMMPIXPASA-N 466.494 0.980 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 1834519239 YOPOJKMJLJJBNP-QHCPKHFHSA-N 454.571 0.761 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)COCCOC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1835248783 YPHPSMBGDANRNV-CYFREDJKSA-N 497.589 0.671 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3c(=O)n(C)c4ccccc43)CC2)CC1 1835454431 CJYNPKGGVVCDMH-IBGZPJMESA-N 481.597 0.950 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680154 DMLCUGWZZJRCSD-MBSDFSHPSA-N 459.547 0.587 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1835732559 KFBOXMQYZJSKAG-LFVJCYFKSA-N 473.578 0.604 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)CCO2 1836684429 AIXNBLNGZGWERY-JYFHCDHNSA-N 467.566 0.757 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836789507 HAJXZGYYPVDQOX-CYFREDJKSA-N 457.527 0.824 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837529388 SHBDBBRPMVZXIF-FGNLTJKTSA-N 472.502 0.328 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533660 YMQASJBWJYDPKN-BMUPIEFHSA-N 462.503 0.193 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1838386468 NQVNOBOEZGXTOY-WOJBJXKFSA-N 453.580 0.709 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838773885 BBTKILUTTIXYKI-QGZVFWFLSA-N 455.511 0.892 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1839173651 DMSODYPPYRVUQK-QHCPKHFHSA-N 460.531 0.488 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419789 VDOWJFPUHXZUHO-BTYIYWSLSA-N 467.519 0.448 30 20 JCED CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)C1 1839488717 FLNNJMUOVUWUPZ-UUOWRZLLSA-N 466.542 0.846 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1839841853 ZJBQLTFLTDVDFY-JLHGSKIFSA-N 455.552 0.541 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1840026384 ITHQRYFKRMAXSC-MFSJNOQSSA-N 475.542 0.695 30 20 JCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044114 LSZNTTMZKQFWIX-CQLNOVPUSA-N 491.541 0.178 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1c[nH]c3ccc(F)cc13)CCO2 1840079533 HSDLCHDXFUWZIK-QHCPKHFHSA-N 457.458 0.784 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1840108112 HWNGYKJPNPNOEJ-RGZWJVDOSA-N 496.605 0.779 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)C2)C1 1840167835 PRIOHZASDMQATN-VWLOTQADSA-N 481.553 0.753 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1)c1ccc(O)cc1 1840220595 VHUAKDZKLLYNKU-HMHJJOSWSA-N 471.554 0.870 30 20 JCED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)cn1 1840464156 AHQYMPZTYDLRDV-TWKPZUECSA-N 458.540 0.920 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCO2 1840770917 SJKVYAPUPKELFU-RUZDIDTESA-N 463.490 0.599 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1840908660 FTDQSIPMUPJPOU-JPYJTQIMSA-N 473.530 0.463 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840946054 UEBYFEQPDHYPOP-LIRRHRJNSA-N 461.556 0.720 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842809302 ZCGWWJRPKBKOKW-HNNXBMFYSA-N 468.576 0.822 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CN)C1 1842868781 HGTATNRXWWBUIF-JKSUJKDBSA-N 467.567 0.590 30 20 JCED COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301804 JUOIJQXRIWGTGA-ZRZWOPFXSA-N 485.578 0.805 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1845188831 NHJLYIWCCKKQOE-DLBZAZTESA-N 465.547 0.927 30 20 JCED N#Cc1ccc(CN2CCN(CC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 23257932 DZJRWJPIAAFDKQ-FGZHOGPDSA-N 460.600 0.871 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)s2)c1=O 590990526 BCMYOYQDNQWKHQ-UHFFFAOYSA-N 481.983 0.940 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(-n4cncn4)c(F)c3)c(=O)n2CC)CC1 592993978 PNLJSKSDEHKDJW-UHFFFAOYSA-N 481.557 0.317 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2)c1=O 603795407 OFWFDWKMSFJIFR-UHFFFAOYSA-N 470.595 0.288 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)CCO4)c(=O)n2C2CC2)CC1 603997156 YYCOIOVNGDLAEC-UHFFFAOYSA-N 450.564 0.847 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCNS(C)(=O)=O 608912384 KHEMGBLQCZEPEL-UHFFFAOYSA-N 492.623 0.275 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(F)c1 726583677 FCJKZHOBRIBXCI-UHFFFAOYSA-N 471.514 0.436 30 20 JCED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)cn1 727161332 VZLJWAJNXTZRIW-UHFFFAOYSA-N 479.518 0.461 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1 729257854 UBJQYEWAZYSPPU-UHFFFAOYSA-N 450.561 0.279 30 20 JCED C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 731130060 HXBOMQWLMUHULA-CQSZACIVSA-N 458.496 0.689 30 20 JCED C[C@](C#N)(NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C1CC1 771823435 BMOUNISURKYEPY-RHSMWYFYSA-N 474.333 0.440 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2OC(F)F)c1=O 838161774 BBUJWENXZAPEPK-ZDUSSCGKSA-N 467.494 0.812 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccc1 839244643 INBMLMMVTHORKK-UHFFFAOYSA-N 451.552 0.542 30 20 JCED CC(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 920627727 ZGZCSFFUKIBACF-UHFFFAOYSA-N 486.506 0.912 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286535549 ISZYJHQGTOTUTG-WDEREUQCSA-N 458.404 0.666 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)CC 1292126691 SEJRDGDCDGZMFZ-QGZVFWFLSA-N 451.597 0.808 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)C)CC1 1301767661 UYPVUZLBBWGSMJ-UHFFFAOYSA-N 452.563 0.942 30 20 JCED CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1302487259 OBTZLHULZXPXHD-QGZVFWFLSA-N 455.548 0.874 30 20 JCED CO[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C1CC1 1315196159 LVQLTJRISWLEDG-QAPCUYQASA-N 474.591 0.907 30 20 JCED COCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1316071575 LYCOTCAUUZEHIY-PXNSSMCTSA-N 469.612 0.319 30 20 JCED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C1 1360785560 XXIQEQQXULQSBE-QAPCUYQASA-N 474.609 0.176 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(OC(F)F)c1 1611711537 PRRJDUKVUQMKPC-AAEUAGOBSA-N 457.463 0.662 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1613558840 OFQWQZZTILRZQH-IFXJQAMLSA-N 455.560 0.920 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nccn1C(F)F 1692792053 BYRQRLIXFAWGNP-GXTWGEPZSA-N 469.522 0.705 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1711020076 KOZURYQVFJTWMC-UHFFFAOYSA-N 466.589 0.722 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 1741133210 PFRMPYUZDCRWQT-DOTOQJQBSA-N 467.596 0.656 30 20 JCED CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)NC)c2ccccc2c1=O 1746470074 NDWJMWWRHYYUSA-CQSZACIVSA-N 458.548 0.962 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCN1S(C)(=O)=O 1750350189 ZJJXCHPTXLMVCV-HNNXBMFYSA-N 481.604 0.178 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)n4[nH]nnc4n3)C2)cc1 1777821957 QGSCFMPSIPYEOY-VGOFRKELSA-N 462.470 0.126 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1778087346 KVARSJZGBPPDMM-VUMVONDWSA-N 487.557 0.948 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778911360 JQHPFUHNMNOASP-HYBUGGRVSA-N 478.590 0.174 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)NCc1ccco1 1779019093 LWSUCNXDEUTAAT-QERJEUSLSA-N 457.531 0.754 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779364174 HLNNYUQBYGINGI-FEVSCUMJSA-N 480.562 0.467 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1780735142 JEOAOAGVWDELCP-CSODHUTKSA-N 473.592 0.338 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)n2)CCO3)c(C#N)c1 1781172412 PBWPSOCRLYWMQJ-JOCHJYFZSA-N 453.455 0.454 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1782086346 SNPRCWDOKIJBOT-QRQCRPRQSA-N 459.455 0.863 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C13CCN(C(=O)OC(C)(C)C)CC3)CCO2 1783056015 KJAHGKAQZHBLNW-UZUQRXQVSA-N 474.558 0.213 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)CC)C2 1783267573 FEYQAXFCWSMJGS-YZZKKUAISA-N 499.630 0.852 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1783602122 KQCANTQRFZBHDH-SBUREZEXSA-N 489.529 0.786 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)CCO2)C1 1783898726 SUDLXJWBHCHGEH-SPLOXXLWSA-N 491.595 0.426 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)COc4cccnn4)C3)C2)c(C#N)c1 1784459455 YDNVVRCMQLOUGV-QHCPKHFHSA-N 451.483 0.808 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1785576946 RMDHOCWYNWAFGY-RLSLOFABSA-N 491.633 0.369 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785667505 ZMCMLOYWNQQLFK-MHECFPHRSA-N 494.589 0.487 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3CS(C)(=O)=O)[C@H]2C1 1785684259 ILWAYIMXPCXXRH-UHMOLFJZSA-N 479.599 0.793 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857274 FHYFLNFSYMUOHQ-VJANTYMQSA-N 495.621 0.524 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1787512692 ZYHZVKDYOCXTBZ-NKCWYTJXSA-N 471.472 0.192 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)[C@H]2C1 1788078081 UYFZODSSMRPISY-DRMAHVMPSA-N 478.509 0.202 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)[C@H]2C1 1788544173 SRAOVAAKZDQDPR-FJIDUMEYSA-N 478.546 0.405 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788659253 GLCPFZFSPACJCJ-CPJAJNLVSA-N 459.547 0.460 30 20 JCED CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5n[nH]c6ccc(C#N)cc56)[C@H]4C3)CC2)CC1 1790329458 LKCJFNUJLXYDFE-VCOUNFBDSA-N 491.596 0.808 30 20 JCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C[C@@H]21 1792172290 QLQQBMUIVSSXLY-OKYOBFRVSA-N 492.621 0.536 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)NC(=O)CC2 1796104015 RCTPTCJZCXOBJQ-HGKCTWBKSA-N 454.531 0.451 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2 1796395095 SXQMBZIUKDDQOB-DFBDCSAJSA-N 470.567 0.917 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnn4ccncc34)c2c1 1797062857 VASRWYPCTDETNK-YVWYUNDQSA-N 456.466 0.994 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2)c1ccc(C#Cc2ccccc2)cc1 1799614478 CJXCCPPAUNJIHS-SPGPFUFCSA-N 489.572 0.940 30 20 JCED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(CC#N)cc2)c(=O)nc1O 1799645029 YUEOYYQWQNQZES-OPVJXMOQSA-N 451.483 0.227 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1799683737 LWHSDRBGSATRSR-DMUMMCEESA-N 458.515 0.799 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2cnnn2)C3)CC1 1800029692 SFJKLSLPHCYHGR-BJWYYQGGSA-N 472.550 0.852 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)NC=O)C3)N(C(=O)OC(C)(C)C)C1 1801102469 MEYNBNIFOMWMHE-DFBDCSAJSA-N 450.536 0.276 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1801994548 QORBQTMCWBENKU-FAQVEIGNSA-N 481.465 0.297 30 20 JCED Cc1ccn2c(=O)c(C(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cnc2c1 1809395043 BMMOBOQEXLWHMG-HTAPYJJXSA-N 459.462 0.806 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H]1c1cccnc1 1809491864 KHYOHACLFDBOKT-UIFIKXQLSA-N 476.599 0.797 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1810361711 ZXZBRKNUEUNLIM-BEADOERASA-N 472.502 0.168 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815603511 ZUTBIYAXMKIGEC-INIZCTEOSA-N 465.470 0.904 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)sc2C1 1816976105 KIFDBGCIYSAFDW-YDHLFZDLSA-N 466.560 0.979 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822197569 VBWKYMWURYAYAZ-DZGCQCFKSA-N 463.491 0.766 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCN2C(=O)OCc1ccccc1 1828506062 WEJQGFGUZTYMFQ-UQBPGWFLSA-N 496.520 0.053 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1829335288 YXSDEDKVBLWZBZ-DEOSSOPVSA-N 479.493 0.492 30 20 JCED CNC(=O)CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)S)CCN2C(=O)OCc1ccccc1 1829340871 RUOGHEOPWKJPEL-AOMKIAJQSA-N 462.572 0.893 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1829355896 CZTOAKUQCJKCFE-HSZRJFAPSA-N 453.499 0.891 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1829460641 VTNBBVHVSWBLHQ-CYFREDJKSA-N 468.510 0.960 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C)C2)C1 1829765084 GNQSRSIYUPUUDC-HMLKYZKVSA-N 457.527 0.689 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CC)NC(C)=O)CCO2)C1 1830336900 IQUMRAMCCVFTQU-IECBHUPTSA-N 494.589 0.274 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1830465627 OMEPQZKTJAWWDZ-JOCHJYFZSA-N 456.886 0.957 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H]3COc4ccccc4O3)CCO2)C1 1831228177 PKPJVNIGHDPYEU-YDIMBITNSA-N 458.511 0.711 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1831396980 UJVNJAJHKWJOJG-LIRRHRJNSA-N 458.437 0.547 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1831406184 YRXRZNQFJFWBSS-JOCHJYFZSA-N 481.571 0.538 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831697516 ZQRVAAJEFYUISN-HSZRJFAPSA-N 460.506 0.930 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCNC)C2)C1 1831998643 OYNQJUPMLFJOQZ-WZONZLPQSA-N 468.595 0.912 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1832000391 NSIOAVVOPLJFAA-GAJHUEQPSA-N 491.545 0.722 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1832100588 AZIFTOILHNWNAO-BTYIYWSLSA-N 463.560 0.689 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cc(C)ccc1C)CCO2 1832432084 ALYXSNSOCOGFSE-CNXHMKESSA-N 471.554 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833073752 FSUIAWKFOXMUPU-ARJAWSKDSA-N 473.534 0.221 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1833075144 RNFXRKRWYJIONG-ISTTXYCBSA-N 457.575 0.251 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1833464050 LMVIANDLBCKMBK-XLIONFOSSA-N 480.606 0.482 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncnn1C)CCO2)c1ccc(O)cc1 1833846642 RRADDLXKNHIKHL-DVECYGJZSA-N 467.526 0.788 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835117024 BLQVTSWIIPOXIT-UHFFFAOYSA-N 496.678 0.265 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)c1 1835706369 NYEUDKLBUWCNOP-REWPJTCUSA-N 453.474 0.862 30 20 JCED NC(=O)c1nccnc1C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1836050181 HWODGKLIAPUJEW-TUCSVVMZSA-N 487.561 0.290 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1836473377 FNUXALULIVEQIT-YADARESESA-N 488.541 0.514 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)CN4CCS(=O)(=O)CC4)CC3)CC2)c1 1837079258 JYJGUDVXYSWWSW-UHFFFAOYSA-N 477.587 0.229 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1837441163 VEPIVFHGYCKHKX-CYUILNSLSA-N 481.557 0.809 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837524656 LCDHIARKCVTBMJ-WWODUSMQSA-N 481.481 0.381 30 20 JCED O=C(C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)c1ccccc1 1837527537 PKDISQBSEUGJQE-HNQIHDJFSA-N 459.499 0.855 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837527651 RTIQAZZVDGAAFN-KKRXVXNVSA-N 479.559 0.554 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1837658484 MDPZRHZZCKEFMN-HSZRJFAPSA-N 468.514 0.257 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)nn1 1838352388 HBHJCIORODLONS-QHCPKHFHSA-N 469.473 0.809 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838583593 IXYKQYRBKZNYRS-ZJSXRUAMSA-N 472.542 0.942 30 20 JCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1838604633 SJLRPLRBIFBEBI-JOCHJYFZSA-N 489.554 0.668 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)ccc1O 1838974153 WRQNDZHLQWKPCV-RZZUAFPKSA-N 460.531 0.943 30 20 JCED CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132284 CKEHPUCPKOTLGO-MHECFPHRSA-N 458.559 0.906 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)CCO2)C1 1839727107 AWBXDLDSCKZOCD-UYOCQKMUSA-N 463.600 0.397 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)OCc3ccccc3)CCO2)C1 1840019661 VNNNTHRLZGWWCH-UMEGOILYSA-N 487.553 0.796 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044352 UEVRTCPUIIMKOT-HXOBKFHXSA-N 479.530 0.178 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1840108257 JPBJCRQHDPVDLC-IXFSTUDKSA-N 467.563 0.949 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1840162007 JGFKOIBENYKDDM-WNSKOXEYSA-N 485.566 0.885 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1)c1ccc(O)cc1 1840221922 UAOZNASIFQTQGU-ATIYNZHBSA-N 485.581 0.678 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840276412 MHFLHGXMIMZMQK-CHJDIFOWSA-N 493.601 0.911 30 20 JCED Cc1nccn1[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840492207 HLWUNXFBZZHHQO-CYFREDJKSA-N 458.559 0.908 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1)NC(=O)OC(C)(C)C 1840796068 RNCVXXWCDBIDGH-CYFREDJKSA-N 480.606 0.864 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1840819155 SAHHCFITZYTEIO-PXDATVDWSA-N 479.537 0.879 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1840819217 WNHFAUFTDYVQRI-UPVQGACJSA-N 465.510 0.488 30 20 JCED Cc1nccn1CC(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820340 KWWAZOHNGFDWSH-QHCPKHFHSA-N 453.499 0.599 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CCC(N)=O)C2)CC1 1842881059 LZMMBCTXIMESRP-INIZCTEOSA-N 476.578 0.323 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)C1 1845105331 JLLSPAXMXPUVCQ-DLBZAZTESA-N 463.579 0.699 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)C[C@@H](C)O1 498179156 VDMDQKGLACMSQO-QZTJIDSGSA-N 498.627 0.876 30 20 JCED CN(CC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)S(=O)(=O)c1ccc(C#N)cc1 516394017 JCZZMHZBNWDEHH-QGZVFWFLSA-N 472.523 0.620 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CCN(C)CC1 517983476 IHCFAHFQQLVGMU-UHFFFAOYSA-N 485.566 0.740 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1-c1ccc(C(N)=O)cc1 523257164 KCNJPOPVZMLWTI-UHFFFAOYSA-N 470.457 0.848 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 523257194 LAPXRXTUGICMIE-UHFFFAOYSA-N 486.600 0.449 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCN(C[C@H]3CCCO3)CC2)CC1 603848868 YSONJWAZMKMSDK-OAQYLSRUSA-N 475.615 0.578 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(C2CCN(C3CC3)CC2)C1=O 726403787 NDDDOXPVNZIGFZ-YQMDHOPXSA-N 479.628 0.897 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C#N)c(Cl)c1 726577303 MYSFZOGKBSVYIV-UHFFFAOYSA-N 450.911 0.963 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC[C@H]3CCCO3)cc2)c1=O 838278912 DFPMGLYJYKQPFV-HXUWFJFHSA-N 499.589 0.476 30 20 JCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 917034123 HCQIFUUSSWCFRJ-KRWDZBQOSA-N 461.496 0.990 30 20 JCED CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918278949 JTNYTKLXOZIDMX-QVINMUBDSA-N 451.549 0.859 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 918296593 CNBJZQDKNWICKT-LNUHTHKGSA-N 491.570 0.288 30 20 JCED CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918301153 ITDWCJOGNUJUQZ-NKFKGCMQSA-N 463.560 0.765 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)cc1 918581503 NKPNDLMGISFYSU-UHFFFAOYSA-N 465.509 0.302 30 20 JCED CCCN(C(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 919315071 AJGOZTQBZSZTOQ-CRAIPNDOSA-N 470.569 0.830 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCCc1ccccc1 1288826096 OOMXNYPVUBOZSV-FOIQADDNSA-N 463.539 0.689 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 1317947577 YIRCVQGYPDIHGL-UHFFFAOYSA-N 461.540 0.877 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)=O)CC1 1507786782 XHMSJJVLGMYGPT-HNNXBMFYSA-N 491.412 0.578 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCOCC2)nc1 1510192325 QBAUGFGSNMXNKM-QRWLVFNGSA-N 478.554 0.610 30 20 JCED CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1712099714 WDLQVUFVXKEUFL-GUDVDZBRSA-N 482.607 0.793 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 1722795514 JEHMJZKSUHLXFM-NRFANRHFSA-N 485.614 0.994 30 20 JCED Cc1noc(C)c1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1726421432 AIKQNAJSVHMQLA-WMLDXEAASA-N 462.580 0.912 30 20 JCED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 1748053457 QYHMGARZODGSBJ-AVRDEDQJSA-N 473.603 0.649 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCS(=O)(=O)CC2CC2)cc1 1750384940 VUGJTQSUSOFPDL-UHFFFAOYSA-N 458.544 0.880 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778053528 NUTNAHLXMJZQMS-CMJOXMDJSA-N 464.482 0.053 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778781714 PEJCIOACVFTVMI-WCJKSRRJSA-N 484.550 0.350 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1779104345 JHZXKQSFEHABRV-BWABGXRHSA-N 458.475 0.407 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1779319112 VFIBXFSCUSTQLE-OXQOHEQNSA-N 483.447 0.567 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1779334852 BTIVSEVJMNPLNG-WUNAQJDXSA-N 466.604 0.876 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C1 1780798947 WTPAOUIQOJQTLN-KTXJPYHWSA-N 476.574 0.505 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)c4cc(C)on4)CCO3)C2)c(C#N)c1 1781173632 UHWQAXAZWVFZDK-DEOSSOPVSA-N 481.509 0.666 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@@]3(CCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CC1 1781297263 QJEPBCARJSMMEG-XMMPIXPASA-N 457.550 0.707 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)CCO2 1783046807 VRUCZNMAGGJHTI-PKTZIBPZSA-N 460.531 0.996 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783164665 BCZILQYQZMVCAF-DFIYOIEZSA-N 484.553 0.824 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783990077 LQRHKIPHFPCIFI-WOYTXXSLSA-N 459.609 0.806 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2)NC(=O)OC(C)(C)C 1785302631 ZKBTZOURQHMKTD-HJPURHCSSA-N 493.561 0.228 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785304058 VGNVTTSLTNQUTN-YGKZAACZSA-N 481.594 0.269 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785518053 YEMAXJKECQURSE-DGGJZMOXSA-N 483.562 0.864 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1785561382 QQMRZEQVCGGQMR-HMLKYZKVSA-N 454.527 0.413 30 20 JCED O=C(COC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21 1788529523 TYLQOEGYXUGIBC-CIUDSAMLSA-N 482.305 0.427 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790652249 FZSSWFAQEDLFBT-BQFCYCMXSA-N 474.518 0.018 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1792148523 OULASTKXSOXJOA-BJLQDIEVSA-N 451.483 0.174 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1792564003 IDBKCVNNICXNFG-LFMNPONJSA-N 478.553 0.990 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2 1793593329 GUWNFHRBXUMZEQ-KRXQYRFLSA-N 461.519 0.855 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1-c1cccc(=O)n1C 1795933305 MCJMIJOJGRJRRW-AYMMHLMVSA-N 467.526 0.121 30 20 JCED Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)no1 1796423268 WTFLTHZHQQSTQS-GPVSGQMNSA-N 467.482 0.852 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c(C)cc(C)nc12 1796919536 WGQPTBGKIDBWPJ-OSQPQIOTSA-N 452.515 0.408 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1797742607 YTUMSPWMGZIAKR-PRGQPEKQSA-N 455.515 0.782 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797780978 LHGMEAZECMABKR-DMUMMCEESA-N 479.574 0.160 30 20 JCED CN(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1799236348 LMTMLUIYQQXZGY-IZZQQSIFSA-N 463.579 0.678 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1799365312 PKCICJQUQAUREL-CRCOGDFISA-N 459.609 0.806 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1799365313 PKCICJQUQAUREL-JAPOXJDPSA-N 459.609 0.806 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1800024436 JJYHKIDLTKHBAY-WOZUAGRISA-N 494.633 0.608 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O 1800897432 RLBKQRSTZJNOSB-BMQTXXJKSA-N 476.574 0.505 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Cn1cncn1)C2 1802125725 PQPVJARJSZBZJI-UJWQCDCRSA-N 474.562 0.420 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@H](CNC(=O)C(O)O)[C@@H]2c2cccnc2)CC1 1802924757 ZJABGLQKRQMXHS-ROUUACIJSA-N 487.557 0.939 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807146989 DTNJEAYFDWSLKD-HSALFYBXSA-N 458.563 0.520 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1807195201 BJLKEVNHURHHAT-PWHSHALESA-N 464.526 0.631 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]2c2cccnc2)c(C#N)c1 1808167463 RVULLEMZMLFWHF-SNYIIPAISA-N 478.553 0.803 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)[C@@H]1c1cccnc1 1808393038 KRZBKIWQXWLZQO-OSLAWAQVSA-N 484.582 0.748 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)Cc3ccccc3C2=O)[C@H]1c1cccnc1 1812874639 WWGVCWJDKHBQCG-CLOONOSVSA-N 488.500 0.791 30 20 JCED CN1CCCn2nc(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)cc2C1 1812881456 XUHFMZGGXKMQTP-VGOFRKELSA-N 450.499 0.521 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1829260705 BTPJHPRFOWRACJ-DVECYGJZSA-N 452.511 0.598 30 20 JCED Cc1cnn(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)c1 1829332718 VOEHXCWPKBKBTD-VWLOTQADSA-N 493.520 0.732 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831207501 ORUSXNRDYUPBEZ-DEOSSOPVSA-N 472.542 0.700 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216166 YZGIVTFBZKRHKU-CYFREDJKSA-N 477.558 0.492 30 20 JCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1831345954 SQOGYOWLFTWNDG-VGOFRKELSA-N 463.556 0.818 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1831396242 IELBOVJSIXTQOJ-HOYKHHGWSA-N 457.527 0.511 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1831438611 UKTRIBFOEPOQAD-DVECYGJZSA-N 459.543 0.854 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1831487612 QQAMYFYZUJPJMB-BZIRYSOJSA-N 458.606 0.200 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)cc1C#N 1831615419 QIZHJMFDEXTNQY-OSPHWJPCSA-N 472.542 0.927 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCC([C@H]3CCCCN3C(=O)C#CC(=O)O)CC2)CC1 1831671648 ULESGOVHEMWLNV-GOSISDBHSA-N 453.561 0.366 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncnn4C)C3)C2)c(O)n1 1833696564 JNPXHESOMGWFJZ-JOCHJYFZSA-N 456.503 0.418 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c(O)n1 1833700482 ZDCAAQNRKQCUAO-HSZRJFAPSA-N 469.498 0.373 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833713558 XTMGOBUGZFIRCB-UHFFFAOYSA-N 482.541 0.060 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834753314 FJTZPKUOZBUZMV-RTFZILSDSA-N 480.562 0.364 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(C(F)(F)F)cn4n3)C2)C1 1834758009 FMBCGWHMNVROPI-SFHVURJKSA-N 452.393 0.732 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834767039 LRZHSVNKFOCRDX-KOSHJBKYSA-N 492.573 0.630 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1835101465 BPRMJZSFVMCIRM-AOJNWGRGSA-N 465.550 0.896 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1835682915 YALHZTYFAMLFOB-XLNZFTOWSA-N 478.590 0.704 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)s1 1836075162 JMNBAOFUOGRBMY-QFIPXVFZSA-N 455.540 0.960 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836110918 KDINOESUPSQPNM-HLQTZPMBSA-N 462.576 0.497 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347109 AXMCVSSKKCMVMY-YCRPNKLZSA-N 464.523 0.344 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1836787474 ATKDXTKATAYVFT-UHFFFAOYSA-N 451.520 0.947 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1837314125 IRDGQOAPMYWIEJ-WZONZLPQSA-N 460.531 0.482 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837483382 NGCJKMLXWJLMMR-XDHUDOTRSA-N 482.516 0.987 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1837526717 VEKJAKDEXIRBHK-LAXLYFBGSA-N 451.476 0.298 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837529118 PRZZRKYXHZFJGB-OXIXXVMCSA-N 472.502 0.328 30 20 JCED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1837955634 YEVBVCVHMFNMLQ-PIVQEWKSSA-N 462.503 0.689 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@H](CC)NC(N)=O)CC2)CC1 1838069176 WLYVFWPAHPYWTK-SFHVURJKSA-N 452.552 0.941 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c1 1838584554 YTHVQIWRNAFZDU-DHIUTWEWSA-N 475.498 0.253 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c([N+](=O)[O-])cc1O 1838601582 PISKZZMETHODQW-CWTRNNRKSA-N 455.489 0.697 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nn1 1838758816 OKYJRROQOSCDIX-JBMWNJKUSA-N 458.519 0.815 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCn1c(O)nc3ccccc31)CCO2 1839040840 RHTFOKYTJCQVTH-QHCPKHFHSA-N 470.482 0.067 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnn(C)c4)C3)C2)c(C#N)c1 1839133435 PVGGTXDTOQXHSG-DEOSSOPVSA-N 467.526 0.542 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)c1ccc(O)cc1 1839165554 OHCSQCGFQOKNIG-LJFZDNNRSA-N 457.527 0.480 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839209704 LCNPZOAKDYGOMT-AOMKIAJQSA-N 468.551 0.268 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1839224304 HTJZTGPGZPXQSE-JLHGSKIFSA-N 486.566 0.129 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1839227611 VMHIVZRXCPSFGA-VBKZILBWSA-N 462.532 0.957 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1839227691 JEXNTASISMIOFP-HRAATJIYSA-N 479.490 0.014 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO3)c1 1839387139 ABNSERSYZVROBJ-YADARESESA-N 488.541 0.780 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)CCO2)C1 1839726765 GTHWKYSLQFAXPC-STWLZBDKSA-N 470.570 0.628 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC3(OC)CN(C(=O)OC(C)(C)C)C3)C2)C1 1839808368 OVEDUPPPFLBMJS-JOCHJYFZSA-N 451.520 0.102 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C[C@H]3CCOC3)NC(=O)OC(C)(C)C)C2)C1 1839808586 VDWPRPYSSCHEPP-PMAPCBKXSA-N 465.547 0.396 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)Cc3ccccc3)CCO2)C1 1839958243 YQFWUPISMUFQSZ-HYBUGGRVSA-N 458.559 0.328 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC[C@@H](C(=O)OC)C3)CCO2)C1 1840146870 BIETZYZSXMVMCI-FVJVTNMWSA-N 466.575 0.995 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251695 ULDBHJSYUSCWCD-CYFREDJKSA-N 489.573 0.905 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840272025 ADQAEGPXWXJUNG-WXVUKLJWSA-N 457.527 0.945 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CN(C)C1)CCO2)NC(=O)OC(C)(C)C 1840573435 RVXXDJPSNOTCFR-YADARESESA-N 480.606 0.864 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCN(C(=O)OC(C)(C)C)CC4)CCO3)C2)C1 1840805654 DEPXDMKFKMRRHO-VWLOTQADSA-N 492.617 0.962 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1840819666 YPJYQDRXVXIRRU-XMMPIXPASA-N 476.493 0.750 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1840820477 RRDXYAKNIZGMBY-RUZDIDTESA-N 478.505 0.806 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(C(=O)OC)cc3)CCO2)C1 1840957607 KWUVAPCCDOMUMQ-MHECFPHRSA-N 476.526 0.900 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825620 WMGKBSZOWCNVFF-MRXNPFEDSA-N 487.513 0.877 30 20 JCED COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1S(=O)(=O)N(C)C 18038993 JUBIAECNVFOGJH-UHFFFAOYSA-N 492.579 0.964 30 20 JCED CS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 29591915 OGUSTJPTSWMLBX-UHFFFAOYSA-N 487.563 0.845 30 20 JCED CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 497591215 WFSADIPVFUHOJN-UHFFFAOYSA-N 487.567 0.444 30 20 JCED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 505853554 OZDPFUZKDJLMOT-UHFFFAOYSA-N 468.561 0.502 30 20 JCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 517811305 CKKMOWBYQRHALU-GOSISDBHSA-N 452.581 0.502 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)cc1 519355809 OBEJEIXEYMCLFF-UHFFFAOYSA-N 480.568 0.526 30 20 JCED Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)c(C#N)c2N)cc1 552143990 PZRMUJWSKSUAEG-IBGZPJMESA-N 479.585 0.864 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCCC(=O)OC 557704424 XTBHSDZZGUTMHA-UHFFFAOYSA-N 481.933 0.921 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCCSC 604118585 NXOIGHIJLPQRPD-UHFFFAOYSA-N 451.595 0.315 30 20 JCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(=O)N(C)C)c2=O)cc1 604270542 XMLOPHIKMNWBPH-UHFFFAOYSA-N 455.536 0.903 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 604506028 GINQKDUUFVPMRD-UHFFFAOYSA-N 458.496 0.799 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(C(N)=O)cc1 609351044 CTVXKEHMQZLQQH-ZDUSSCGKSA-N 498.511 0.930 30 20 JCED CC(=O)N1c2ccccc2C[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 726662736 WFMZSYZLNIPUFO-NRFANRHFSA-N 496.545 0.912 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCS(C)(=O)=O 729673366 LRTHNCSYQJIGAC-AWEZNQCLSA-N 476.576 0.859 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c1=O 748043492 WIQNPUATFGDBSI-SJLPKXTDSA-N 486.594 0.224 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCNc3ncccc3C#N)CC2)C[C@@H](C)O1 916640225 PAHUCELYBOEUFF-HZPDHXFCSA-N 451.553 0.046 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1314730351 XDJZOLQMMFMFFX-UHFFFAOYSA-N 472.571 0.962 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CCO1 1315018466 UURMFARAJHZONK-PZJWPPBQSA-N 483.573 0.527 30 20 JCED COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1504854765 TYRGJTVOMXZPOR-UHFFFAOYSA-N 454.579 0.605 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCCN2CCC(O)CC2)C1 1505141197 MVWDIDYPXUKPTQ-LJQANCHMSA-N 481.623 0.198 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[S@](=O)C(C)(C)C 1510218271 MPJYFXMYYQYCLN-ZLAAAENGSA-N 471.653 0.612 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1554498666 ZCORWLHZAOFPEB-OPAMFIHVSA-N 455.519 0.730 30 20 JCED CCN1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1615895858 UMQPCRXTTKCYFH-RBUKOAKNSA-N 482.655 0.234 30 20 JCED CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1623964942 YOAFPRJDUKVICL-AWEZNQCLSA-N 452.533 0.867 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1692848802 WIDOAKGTYHBCET-HOTGVXAUSA-N 486.620 0.176 30 20 JCED COCCN(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712420044 XBSGDQLOMSTXHE-HKUYNNGSSA-N 465.624 0.325 30 20 JCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1766877964 NWQNPFNWMTWUFD-UHFFFAOYSA-N 494.600 0.951 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/N2CCCCC2)C3)CC1 1778910511 WACQAWBKVQLDCX-VJPTWTESSA-N 476.622 0.136 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ccccc4n(C)c3=O)CCO2)C1 1778971158 HSTZZITZKAUDHU-MHECFPHRSA-N 454.527 0.950 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779311634 WSLUGDJAOGNOHG-IXFSTUDKSA-N 482.578 0.437 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CC(=O)NC2=O)C3)c1 1780089042 FHLVRBQUEUSZDG-WZONZLPQSA-N 469.498 0.246 30 20 JCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)N1CCN(C)CC1 1780638948 SXLAKOOEFXMERI-WBKOKSHGSA-N 479.622 0.665 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1780738379 YFQHXLWMLVYEJV-YOSAUDMPSA-N 464.607 0.646 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1781165532 LWNSANAORYJQOC-RHGYRFJNSA-N 476.574 0.792 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170256 YQSXWLVAFUZIFI-MZNJEOGPSA-N 491.589 0.882 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1781310208 FAPKRIPCQPTZIJ-UMEGOILYSA-N 484.553 0.824 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c(C#N)c1 1782786947 HFLMJPLSLLXWJB-XMMPIXPASA-N 495.492 0.709 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783766073 FIVAWENGMZRPEW-QRWLVFNGSA-N 490.494 0.011 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1785573327 ZTRHUQRESUEWSZ-XDHUDOTRSA-N 488.541 0.048 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CC)NC(N)=O)CCO2)C1 1785574987 WSCGGNUUSUPLNZ-PONJGIIJSA-N 465.551 0.180 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1785593269 WXOCNSWSCUOHBT-ZGNKEGEESA-N 478.546 0.738 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)[C@H]2C1 1787412109 MJBSRKZNMPCOHQ-FVABCNOBSA-N 452.555 0.539 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788661375 OMOMAIQNMQWHKK-DRHFPXPNSA-N 455.508 0.111 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NO[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]21 1790793458 JEMKUAYWBIUBMG-PWDLFRTRSA-N 460.531 0.755 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2 1793597673 RTQIDSHUDDACPY-APAFKAMOSA-N 482.578 0.197 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2 1793600163 WTHWUYVXTZXOIT-MWTISTBLSA-N 452.552 0.570 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncn4c2CNS(=O)(=O)c2ccccc2-4)C3)CC1 1795412303 LGXIRCLIFCBOGB-CCWDJLKJSA-N 496.549 0.171 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1nc(N)n[nH]1 1798310384 WCLWWSTYAREQEE-QKPAOTATSA-N 459.551 0.874 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1noc3c1C[C@H](NC(=O)OC(C)(C)C)CC3)C2 1800451795 JOMMZKVZRVZEHW-NXEZDXNNSA-N 458.515 0.893 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1801287287 WLAAZAGVVIREKZ-KOUHRCEDSA-N 450.499 0.232 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)c(F)c1 1801868708 GQEGOPNYTHMNBY-IBRLJDPESA-N 479.530 0.291 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2)NC(=O)OC(C)(C)C 1801931190 PVMFBRPDADGISN-BASYENTBSA-N 491.545 0.951 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)n1 1801991969 OHECCVQOQBCSBH-BBIADKPPSA-N 479.537 0.827 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)=NO2)C1 1801993583 WUHUVJPZVVBWRG-QDMKHBRRSA-N 460.487 0.478 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1810285065 XGVBVSNKAZDDCC-MTPMWZLMSA-N 477.529 0.604 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCN2C(=O)OCc2ccccc2)C1 1828974573 PGVRAJHWOKEIFN-VFNWGFHPSA-N 462.576 0.240 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCSCC4)CCO3)C2)c1 1829715240 VOIIXQMYBJECFD-QFIPXVFZSA-N 462.547 0.816 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cc1 1829902129 HXFIZFPBIHIZJY-HSZRJFAPSA-N 452.467 0.677 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830342565 POWAVUZZARLFKJ-HSZRJFAPSA-N 460.531 0.509 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnc3ccccn13)CCO2 1830655409 QSSPCOTXWHIBSQ-POUSAUBHSA-N 467.526 0.192 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830882961 ZFVWKHXJRPCZCM-YADARESESA-N 499.605 0.701 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1831402474 IGYQQPRCDJDXQH-AVRWGWEMSA-N 481.505 0.224 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831693369 XMXYMZIYPUWVMJ-WVBYBHFTSA-N 468.551 0.134 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832354335 SXJMBMQLBIYIQH-ZNWRTWMLSA-N 488.585 0.092 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CCO2)C1 1833024662 WDNXXNUCVJVUJV-SYJLOODJSA-N 476.530 0.040 30 20 JCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1833468249 PEFAZCHLZYEMQO-ZWKOTPCHSA-N 470.574 0.205 30 20 JCED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1833489963 BKDVPENKZYYAJD-IBGZPJMESA-N 462.620 0.766 30 20 JCED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1833509394 HQLFFJFXJHRTGB-HSZRJFAPSA-N 451.483 0.935 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)C(C)(C)O 1835364732 FJYZYYBJWVWLSK-VGSWGCGISA-N 468.551 0.411 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c(O)n1 1835408600 PIRISBGXDIZMBU-DEOSSOPVSA-N 472.542 0.598 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)n1cnnn1 1835768916 OYLSLRHYSSSLFA-SGQCMQEMSA-N 462.555 0.335 30 20 JCED COc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](C)n4cnnn4)CC3)CC2)c(C#N)c1 1836389578 MUFYAZVYSUQYAO-QGZVFWFLSA-N 480.573 0.929 30 20 JCED O=C1Nc2ccccc2/C1=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837325281 MEDXJEFPGWUBTJ-CTGOYODGSA-N 481.553 0.950 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)c4nncn4c3)CCO2)C1 1837369774 ASZMMWXLIOTCLY-QFIPXVFZSA-N 489.964 0.735 30 20 JCED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837466589 CJGLHMUJKYZAES-QHCPKHFHSA-N 489.598 0.050 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490757 NZVVGWPDALAFPL-NTKDMRAZSA-N 463.575 0.446 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1837493434 FHNBUJABNSPKDU-NVQXNPDNSA-N 470.566 0.745 30 20 JCED O=C(NCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)c1ccc[nH]1 1837524632 KVRLDZMTMTVIEM-NATWXUTRSA-N 491.545 0.120 30 20 JCED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525229 KWUKRIVWOJZVNJ-NDXPISSFSA-N 468.536 0.179 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838418824 SSTZDQQZCFHTNH-XMHVBLFMSA-N 488.570 0.298 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)c3ccn(C)c13)CCO2 1838433747 UPHCFGDGQHDVMY-UUMVVRSSSA-N 483.525 0.207 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN(C)C(C)=O)C3)C2)c1 1838579306 IXPNOXACUCYFQG-HSZRJFAPSA-N 458.515 0.505 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)cn2[nH]cnc(=O)c12 1838951967 SHOLTCYSOIRAPF-DEOSSOPVSA-N 476.493 0.587 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1839138808 PHXPRVSWRSXJPW-FDDCHVKYSA-N 483.562 0.022 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(=O)oc4)C3)C2)ccc1F 1839186242 ICBFHUVZISILGN-QHCPKHFHSA-N 455.442 0.963 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)ccc1F 1839187046 GPIAPWMWCVCVQE-XLQQFJOYSA-N 470.501 0.531 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210474 QIACDINZYIQSRT-WZONZLPQSA-N 467.563 0.522 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1839212622 HXULGWWPFQAJOQ-NXMSCROESA-N 494.589 0.533 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)cc1 1839363402 TURHARZXXVXTSA-RUZDIDTESA-N 492.536 0.466 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489320 QUQRUHZCKJMHDX-XZOQPEGZSA-N 485.497 0.120 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)COc5ccc(O)nn5)CCO4)C3)c2c1 1839670331 CNDFLGUUNWYJKR-HSZRJFAPSA-N 493.480 0.079 30 20 JCED CC(C)(C)OC(=O)N1CCCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044914 GYYHHSZENJNCML-HOYKHHGWSA-N 493.557 0.568 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1840168080 FQRMOMUGJXVTTE-DEOSSOPVSA-N 478.509 0.444 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)OC)CCO2 1840212304 FTJYPTXJAYVWOQ-HOIFWPIMSA-N 453.536 0.394 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1)c1ccc(O)cc1 1840220941 LFUMIQJNPHPNIN-RDPSFJRHSA-N 467.526 0.637 30 20 JCED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840802535 RDHRGSJJAUZQMC-JOCHJYFZSA-N 461.519 0.871 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818642 NBEFYKGQYXQEPW-XMMPIXPASA-N 472.542 0.556 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880066 VFZMQXHMUPFNGN-AJSYOGKFSA-N 462.499 0.864 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840883350 YLOGWXKJQDJNFC-PDSXEYIOSA-N 489.591 0.218 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1841745661 APQQESLUFRZQRE-HNNXBMFYSA-N 472.546 0.913 30 20 JCED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844315710 WFQZHKHKIHSAKJ-OEAKJJBVSA-N 451.520 0.598 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1847071308 XMQSYWLKJJIKFH-LJQANCHMSA-N 475.590 0.271 30 20 JCED CC[C@@H](c1nnc(Sc2c(C#N)c(=O)n(C)c(=O)n2C)n1CCN1CCOCC1)N(C)C 14287941 IQIQEWZSEUFUPO-HNNXBMFYSA-N 462.580 0.043 30 20 JCED C=CCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H](C)c1cccc(-n2cnnn2)c1 520926129 ORJKSIYCSRQOSH-SZVBFZGTSA-N 458.544 0.774 30 20 JCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCNS(C)(=O)=O 524282001 LCCLPMTWNLNYON-UHFFFAOYSA-N 492.579 0.876 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CCN(C)CC1 604434747 HEEHHFBJOUTMNM-UHFFFAOYSA-N 485.522 0.105 30 20 JCED N#Cc1ccc(CN2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CC2)cc1 608843150 JOHNNMLFCAPAJJ-UHFFFAOYSA-N 462.558 0.914 30 20 JCED CC(=NNc1ccc(S(N)(=O)=O)cc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729818116 HEYQDDKBJVIKNL-UHFFFAOYSA-N 460.559 0.896 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)n(C3CC3)c2C)c1=O 837284665 HHYHKOYLZJAWLY-UHFFFAOYSA-N 481.622 0.801 30 20 JCED Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)c1C 838894274 GUUDQZPWJBHULQ-UHFFFAOYSA-N 492.605 0.201 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2cc(C)cc(C)c2)CC1 839184905 MWUFBZVWLMNZFP-UHFFFAOYSA-N 476.606 0.917 30 20 JCED CC(C)(C)N1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 914808502 UFUYBAMRIYQHAG-QGZVFWFLSA-N 476.555 0.581 30 20 JCED CN(CC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)S(C)(=O)=O 916949587 NXMYTZAELNNJBT-MRXNPFEDSA-N 456.546 0.400 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 918422996 FOMAWHQEYAEECW-VKWHMPGMSA-N 499.615 0.226 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCO1 1301903334 XIOOAYABBHNAME-IBGZPJMESA-N 453.503 0.017 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1303301975 XWIZQNJOTIZMOT-FXAWDEMLSA-N 499.613 0.288 30 20 JCED COc1ccc(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1315459515 LBKWNHODGUYZCE-WOJBJXKFSA-N 490.586 0.981 30 20 JCED COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1315538444 UZOGEVBHZZCAET-LPHOPBHVSA-N 476.559 0.876 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1360652831 IRJVCUPMXHYGQV-LBPRGKRZSA-N 455.491 0.778 30 20 JCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1 1503622311 PGDMELHPJZYYHO-UHFFFAOYSA-N 466.589 0.627 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)NC2CCCCC2)C1 1505141117 MOMPWBABHFRHSL-DYESRHJHSA-N 497.597 0.892 30 20 JCED CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1508204850 WCGCCNYQTLAQBQ-IBGZPJMESA-N 489.602 0.925 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1554503673 IKZSMEYPKRDUFT-OAHLLOKOSA-N 485.492 0.871 30 20 JCED CC(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1596831802 PUCYLDOVAXHHRP-QYZOEREBSA-N 483.639 0.564 30 20 JCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1662730246 IVBCZBMZCWFFJP-FUHWJXTLSA-N 451.597 0.568 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1697022833 KZSZCGVDPPAMIY-LJQANCHMSA-N 486.602 0.948 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705755715 XBPAWQGRONAGJP-HUUCEWRRSA-N 458.972 0.565 30 20 JCED CC(C)NS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741715013 XUCAMNRNNMOLFJ-LJQANCHMSA-N 458.592 0.768 30 20 JCED CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749227944 KIDSMFGDSFIGFB-OALUTQOASA-N 460.560 0.950 30 20 JCED COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCOCC1 1749405936 YUAYFPIQIBFSOD-AEFFLSMTSA-N 481.623 0.508 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNC(=O)c1cccs1 1761499790 ZWQDLUVVRVCEEW-HOCLYGCPSA-N 492.631 0.556 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(Cc4cccnc4)n3CCC(=O)N(C)C)CC2)c1C#N 1762402864 ITZKGLWLAWXUAR-UHFFFAOYSA-N 462.562 0.982 30 20 JCED CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1766995191 VCINAURJKUHZLC-KRWDZBQOSA-N 461.544 0.894 30 20 JCED CS(=O)(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1770354517 WQFKSYFYNCIYTD-UYAOXDASSA-N 490.586 0.910 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777704584 UXINHBAQIMBFJI-HSZRJFAPSA-N 454.531 0.781 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1779102413 HJLKFVATIAXHGG-JHQANNODSA-N 461.519 0.898 30 20 JCED CN1CCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)cc2C1 1779106887 MSSCKRFGEYHMOY-BVONVKGESA-N 474.562 0.691 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CNC(=O)O2)C3)c(C#N)c1 1780688100 XVTMAHVLACZQFM-YCRNBWNJSA-N 456.499 0.732 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780938209 KXBBHZODPVDUEO-JOCHJYFZSA-N 476.555 0.231 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1783268332 HAIGRKLQOAOTSX-NDBKNAECSA-N 493.605 0.010 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1783769244 PULHXNZTOQDXGE-LBUQITIBSA-N 452.552 0.810 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784013083 TZIQJKUCJVVKRD-VWMXVWASSA-N 481.590 0.761 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)c1ccc(O)cc1 1784013107 SHZSZBHFDNHXJJ-XZOYJPPVSA-N 473.526 0.784 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)OC(C)(C)C)[C@H]2C1 1786621984 XONZVHDLMYLQHR-QJFPOAGESA-N 464.563 0.691 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(O)n4c3CCCC4)C[C@@H]21 1786859080 IVCKJAZAGBTOJQ-BQFCYCMXSA-N 458.563 0.800 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)[C@@H]4SC(=N)NC4=O)[C@H]3C2)c(C#N)c1 1787499548 CHLJBNSSELHXHT-PSYVUVSZSA-N 499.593 0.892 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)[C@H]2C1 1788093448 XUOLYYXBUKKFBQ-CEGNMAFCSA-N 493.601 0.622 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4)C[C@@H]32)CC1 1788111396 WDAJYTNVBDUTTP-ACRUOGEOSA-N 474.583 0.823 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1788652297 AVGPEQAIZCJPBV-HQPNSAMISA-N 454.593 0.544 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1788682727 NXQOIXQHYZWZFK-DLBXRIFTSA-N 464.569 0.539 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C[C@@H]32)c1 1789257458 GWEJMZCWCSLVQQ-VHFSOBRXSA-N 499.549 0.625 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3c[nH]c4ncc(Br)cc34)C[C@@H]21 1791073159 NOMXZROWEVOHML-ZLIFDBKOSA-N 489.326 0.936 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C[C@@H]21 1791077583 LETYZFHLYHGBBV-IHPCNDPISA-N 469.494 0.323 30 20 JCED CC(C)(C)OC(=O)N1[C@@H]2C[C@H](F)[C@H](C2)[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077962 OEJIZAJAXUZBKM-KIIJQXLRSA-N 493.532 0.790 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOC)[C@H]2C1 1791133874 FBROQDKVXYCESC-MUGJNUQGSA-N 456.580 0.609 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1791258396 NLIXACJKBJCXQM-PCCRXHMLSA-N 471.620 0.902 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)OC(C)(C)C 1792758323 HGKMYUJHRJSITR-CUSZFKRNSA-N 453.536 0.999 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792780675 NFNIGWNNSGLXJY-LPVBTYDRSA-N 474.558 0.556 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NS(=O)(=O)CC 1793535151 HQQKNTDDUIUKLH-JCECYMMASA-N 484.619 0.869 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1793599422 VOQQUMHCURTVCK-CLWJZODNSA-N 475.546 0.302 30 20 JCED O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1794035714 XLGCIBWSRXMHLM-KYMBBGCHSA-N 461.519 0.253 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)n1 1796619544 FYPRYUWNIGTKQQ-RMFSNUHRSA-N 470.574 0.403 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)CC1 1797141198 ZJIQMDDDLWBMTE-HATOLVCRSA-N 492.573 0.501 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 1797279481 JETAOZIUIRUKAR-QGLBADPUSA-N 467.538 0.963 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1797782643 GNXPBPWGLKIAJR-FEJSZKPUSA-N 467.522 0.919 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCNC2=O 1797967272 JLTYZOCPKTWXSF-BCDXTJNWSA-N 453.543 0.967 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1799235997 VBKPOLMNZOLVIO-QTMHVTGLSA-N 489.577 0.521 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)C2 1802124837 LUKDLCSOMIKBFQ-SGQRUEDASA-N 477.480 0.806 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2CCc3nc(O)nc(O)c3C2)[C@H]1c1cccnc1 1804569362 ULOSITURJJTYPH-XBHMSOGKSA-N 465.466 0.182 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)Cn3cnnn3)[C@@H]2c2cccnc2)c(C#N)c1 1807614636 SIWZZSAJXJKJBF-JPYJTQIMSA-N 460.498 0.897 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1819451058 JDYDRIKQLLTVPM-AAOPIFSGSA-N 496.590 0.661 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1819905020 PCGMRRUJCJOBRF-NNEOQJNXSA-N 467.548 0.235 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c1 1825671011 SXCKBXOLCZMZQO-SNVBAGLBSA-N 465.484 1.000 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1828284288 HXDYHWVIHUGRDZ-TZMCWYRMSA-N 474.547 0.658 30 20 JCED CC(=O)N(C)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828625294 QCZKTNDJCRJGIB-VWLOTQADSA-N 498.536 0.395 30 20 JCED O=C1CN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=N/O[C@@H]3CCCCO3)CC2)C(=O)N1 1828971361 XZNKAXBYMBCDGE-KVYWOEGESA-N 463.535 0.687 30 20 JCED N=C(N)SCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332398 JZRIZAWLUBBSQV-QFIPXVFZSA-N 487.538 0.153 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cnoc3)C2)C1 1829332774 YKXYZPKEAARQFU-QHCPKHFHSA-N 466.450 0.828 30 20 JCED CS(=O)(=O)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829410409 WFOYUTSCEUMKEB-JOCHJYFZSA-N 476.555 0.787 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)cc1 1829632094 OOSWSJAEOFXZKJ-XMMPIXPASA-N 456.543 0.279 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)C1 1829777331 VUAZGWNZPDNPST-QJTOUBETSA-N 484.509 0.923 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1830638200 IGVQJWTWXRRAIL-QFIPXVFZSA-N 469.604 0.637 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)C2)C1 1831386542 HQCXIMFQRWDWNG-IECBHUPTSA-N 479.574 0.951 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831478815 HVUFEFPSDLKPEU-QHCPKHFHSA-N 458.515 0.308 30 20 JCED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1831853759 AXCVHUYKNNLKNZ-KRWDZBQOSA-N 456.547 0.630 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1832456883 BJFMOMYDPZPTQE-QHCPKHFHSA-N 478.567 0.825 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)Cn4cnnn4)CC3)CC2)c1 1833235774 BNGJOLSSYOWOSV-UHFFFAOYSA-N 450.547 0.749 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1833449913 XGBIJNGKCVPMBK-LJQANCHMSA-N 474.627 0.938 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)ccc1F 1833498206 YAXWZQXCMVTQFE-HSZRJFAPSA-N 483.456 0.498 30 20 JCED Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)c1F 1833711268 DAXXMPBWPPGJGE-QHCPKHFHSA-N 471.489 0.888 30 20 JCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1834519005 IMOGFUCGYXFWGT-RUZDIDTESA-N 454.571 0.260 30 20 JCED CSCC[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715653 GGIVZWKUPJPLPF-IBGZPJMESA-N 453.653 0.954 30 20 JCED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1)C(=O)O 1834742825 ZEVDIUSUJXKHAE-HXUWFJFHSA-N 481.557 0.682 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COCC)CCO2)C1 1834990504 NBLJXTAUHWSNJF-VGSWGCGISA-N 453.536 0.396 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(=O)(=O)c3ccc(C)cc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c1cccs1 1835444341 WXWQAFRSIDDOTH-CRTIWDKESA-N 477.583 0.666 30 20 JCED NC(=O)c1nccnc1C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835779981 ALEGGSNBFWSPHI-AFUMVMLFSA-N 467.530 0.473 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)c1c[nH]c(=O)cn1 1836140812 YIZZHLSLYSOVSR-UHFFFAOYSA-N 455.559 0.654 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-c3cnccn3)c1)CCO2 1838592509 BQUDUQKGGGWTQU-HSZRJFAPSA-N 450.451 0.302 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1839130532 FYJBTTSKHHLZJF-DVECYGJZSA-N 494.589 0.276 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncccc3OC)C2)C1 1839174079 DOFINGCPZGWMIV-XMMPIXPASA-N 475.542 0.989 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CCO2)C1 1839449609 USLHEFNGVLJNNO-SBUREZEXSA-N 474.514 0.769 30 20 JCED CC(C)n1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n1 1839488154 AUVRRUNKSITMGL-HSZRJFAPSA-N 478.513 0.991 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840035892 JKOOBLHQGDQQBS-UJXVZYGKSA-N 467.522 0.391 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1840162364 VWQUSOLSSFJTKL-RBZFPXEDSA-N 463.516 0.067 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1840162394 WKMNDNUOMPBSIX-VFNWGFHPSA-N 452.529 0.224 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCOC3)CCO2)C1 1840540834 JYNIBHWHOAGDRS-GXKKKHDSSA-N 479.574 0.949 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cnnn1C)C2 1844215178 CCHDPHFTGNTHHV-OAHLLOKOSA-N 491.549 0.438 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CC)C2 1844215383 ZRRGLWGHKBZNAY-HZPDHXFCSA-N 468.551 0.766 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CCCC34CN(C(=O)c3cc(C#N)c[nH]3)C4)c2n1 1845884530 WAOUQEVAQWXSLG-UHFFFAOYSA-N 491.512 0.843 30 20 JCED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1846330787 CQYJEWUGVHSWNB-MRXNPFEDSA-N 455.577 0.931 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2CC)c1 16558924 CKAOHQBXUNJSCT-UHFFFAOYSA-N 487.538 0.975 30 20 JCED CN(CC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1 29088019 RYEHNXACUOKDDJ-UHFFFAOYSA-N 470.960 0.927 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1=O 510222962 NDDSEXAPOMZIQY-ZIAGYGMSSA-N 464.500 0.400 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1C1CC1 514327260 HDEZBBALRLIULL-UHFFFAOYSA-N 490.532 0.798 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)cc1 518665877 UZIWGPZTRFITQO-INIZCTEOSA-N 491.522 0.716 30 20 JCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 519051638 NGDRMAKJCFGSJG-UYAOXDASSA-N 491.614 0.254 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1cc(OC)ccc1OC 522535156 SPPOCFSJODTFNZ-UHFFFAOYSA-N 479.514 0.952 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)ccc2C)c1=O 523089613 RTRQNFVKNUYTJH-UHFFFAOYSA-N 484.622 0.515 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccco3)c2=O)cc1F 523298554 QBJYOWFVOILJNY-UHFFFAOYSA-N 498.536 0.591 30 20 JCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 592225429 WGMRYSKQVYCGFJ-GUYCJALGSA-N 450.496 0.218 30 20 JCED C=CCN(C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[C@H](C)c1cccc(-n2cnnn2)c1 596508397 MFGDALKXEYELFU-MRXNPFEDSA-N 475.513 0.708 30 20 JCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 609146872 QRIGAYVOQQXERV-GOSISDBHSA-N 457.579 0.790 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(Cl)s2)c1=O 729671456 NQRRCRZPJVWRGU-UHFFFAOYSA-N 472.013 0.795 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@]12CCC(=O)N1CCS2 744990168 AOCUPPCQKIUTEA-OAQYLSRUSA-N 456.480 0.975 30 20 JCED Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 769631994 BKTWOVHVUWXICC-UHFFFAOYSA-N 483.510 0.919 30 20 JCED C#CCNC(=O)[C@@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 854213306 DJYLLGYKLFFHOT-MRXNPFEDSA-N 476.555 0.691 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC(F)F)cc3)c(=O)n2CCOC)CC1 916200204 YRXRXPJBLQLZSH-UHFFFAOYSA-N 492.548 0.825 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)nnc12 918818597 URPBQBXEIFFSTM-ZDUSSCGKSA-N 472.527 0.458 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1CCS(=O)(=O)CC1 1303830183 WWAIBQIBTHDNIQ-CQSZACIVSA-N 458.610 0.843 30 20 JCED CN(C)C(=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1314628545 OYDZKXLXAUTMFR-IERDGZPVSA-N 497.597 0.702 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccccc1F 1541804579 YNJDQIWVCYKAPI-CRAIPNDOSA-N 493.565 0.918 30 20 JCED CN1CCN(C(=O)Cc2ccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 1597217975 KWTGDFOCSZCAGB-UHFFFAOYSA-N 455.540 0.792 30 20 JCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)[C@H](C)C1 1741055550 KGGLBLSYJUCHHT-OAHLLOKOSA-N 461.548 0.335 30 20 JCED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)CC1 1741988849 XUCBVYRERWOPRG-ZDUSSCGKSA-N 475.522 0.122 30 20 JCED CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1OC 1771337879 PMOAWSXTJOEEKF-OYRHEFFESA-N 453.547 0.831 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778002813 GLZDASLVZVIFBK-VOLVWJTLSA-N 467.611 0.646 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1778968770 VOVAGIGFIMEWSX-QQMNAOGKSA-N 469.579 0.665 30 20 JCED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1)C(=O)O 1779422203 VRWFGMAZHVIFIA-IADDMXAUSA-N 454.524 0.092 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)CCO3)c1 1780332393 WAXSFNSYMWMIJP-RCDICMHDSA-N 452.471 0.336 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781170257 YQSXWLVAFUZIFI-OSPHWJPCSA-N 491.589 0.882 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781247396 IQHKGRYJYWGYPR-YZZKKUAISA-N 464.563 0.648 30 20 JCED CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/C(=O)c1cccs1)C2)C(=O)C(=O)O 1781541472 ISFMQXSWMFMMSD-NZRBFCARSA-N 477.539 0.544 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3nnn(CC)c31)CCO2 1783047375 ATKXZZGWVQAKFZ-MWTRTKDXSA-N 472.546 0.595 30 20 JCED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1783115121 HFYPRHIQDLPTLR-IQMFZBJNSA-N 474.583 0.883 30 20 JCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1783478827 QJUUPVIYIRSJPU-WPVAHCMFSA-N 463.575 0.997 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(-c4ccccc4)n3)C[C@@H]21 1783531320 QGDDBJMAJBOXDF-WSRLLZAVSA-N 464.526 0.719 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21 1783532820 INVGNEYKVVQIAW-MJKFYLGZSA-N 478.549 0.735 30 20 JCED CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783554822 FWFDNUWLSVOEJB-DVECYGJZSA-N 471.510 0.999 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)CCO2 1783556985 GLGGOZYBGQLEOE-DEOSSOPVSA-N 465.462 0.485 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1783768432 MMEGSPLNOYCJDK-QRQCRPRQSA-N 461.519 0.683 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784119736 ZFJCDFRTBKJJID-GRFCFPJTSA-N 488.541 0.211 30 20 JCED COc1cc(N2CCC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](C)S)C[C@@H]43)CC2)ncn1 1784243161 ZTNDXPSCLVRIAK-DKIMLUQUSA-N 463.604 1.000 30 20 JCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnc4cc(Br)ccc4c3=O)[C@H]2C1 1784574482 ILPYNCIPBCSJRT-OWQGQXMQSA-N 473.327 0.772 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CCO2 1785429977 OGQRWDCMCDBWQL-UZUQRXQVSA-N 479.578 0.572 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1785593096 SLJDEBJUOVVAFU-UZFJHSOTSA-N 479.578 0.557 30 20 JCED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)[C@H]2C1 1788077472 AHLPLVKYKJMSEU-ZQIUZPCESA-N 463.498 0.714 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1788521177 GNTXGSCWTMXCJV-MUGJNUQGSA-N 453.605 0.465 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1788574648 HVMYADJFPIBWHV-VJANTYMQSA-N 471.620 0.211 30 20 JCED CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1788743457 WQXPLNIIUVWESY-SLPAREJWSA-N 452.552 0.800 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789342837 LOIDKUOAXCDSJL-KNBMTAEXSA-N 471.539 0.733 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1789810051 OMAQDPTVZZAQEN-JZCOGDJRSA-N 496.605 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC[C@@H](C(=O)OCC)C1)C2 1792484232 BIQLNAACJJCJQI-XSLPCHFOSA-N 461.559 0.804 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792583208 LUJYUBBDGHTSJZ-BFMVXSJESA-N 478.590 0.962 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261370 JWGBVGHYBOOPLF-CLWJZODNSA-N 463.531 0.446 30 20 JCED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1793585215 VLIPGXXCIUWESE-UUAJXVIYSA-N 452.552 0.984 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1793665013 FTJFJLDQXUSETO-OKYOBFRVSA-N 479.574 0.376 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)c(O)n1 1794490773 KXFPEKRCNDBAIQ-VPTLXERWSA-N 497.508 0.879 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1)[C@@H]1SC(=N)NC1=O 1796445180 JXJKTQNMMCLSOI-WEJLYVTOSA-N 476.580 0.879 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1797729321 XMZLEVHQABKYFN-HGKCTWBKSA-N 459.556 0.352 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1797742122 FRMRRXRUVRIQAA-PVGKCDGLSA-N 466.542 0.841 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)c(Cl)c1 1799752190 JXHGWQHRXKPCJV-LTCOOKNTSA-N 451.932 0.992 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C#N)c1 1799801199 OAPXSLGZQMEVAR-WOZUAGRISA-N 457.483 0.565 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]3CCCO[C@@H]13)C2 1800456120 KMNLLKKZVHFZSV-ZQNHQIHDSA-N 461.559 0.871 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1800945038 OVAZRVXODWLGDF-ZMMAXQRCSA-N 485.603 0.317 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)C2 1800990066 XBLVQPNNFFKTLQ-HJGLJVKWSA-N 469.604 0.919 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 1802083964 KFVNDYYPRUGLPP-BMWWRZDISA-N 476.574 0.738 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1802483462 RJWJZOQJUHBDIG-FBSSYNBKSA-N 457.531 0.097 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)COc2cccnn2)[C@@H]1c1cccnc1 1802499921 WVIFUFLDKYYWFZ-PWPXAWQVSA-N 450.499 0.815 30 20 JCED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[C@@H]2c2cccnc2)CC1 1806858792 MYUGHKOZZGRKMR-PNYFIKQUSA-N 496.593 0.571 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807147661 NYOWYRIYYKTMFB-HKBOAZHASA-N 487.557 0.864 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1810285388 QBFGMPODIVOYGO-YQPWQLKSSA-N 478.557 0.813 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1819896242 LUIGMTADMMEUIK-BMKTWBISSA-N 464.504 0.182 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCN2C(=O)OCc1ccccc1 1829151764 WEUNMCLMENVWTO-XMMPIXPASA-N 477.477 0.874 30 20 JCED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829347632 BAEOGULHITZEHE-GBXCKJPGSA-N 455.559 0.528 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)[C@@H]1SC(=N)NC1=O 1829902019 GQNLZLMKZAFKRY-FOMLIJIXSA-N 485.566 0.360 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)c1 1830458619 VCNHINGDBZPAGT-HSZRJFAPSA-N 451.483 0.757 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1830881034 RGSCZASURLEXCJ-GAJHUEQPSA-N 478.546 0.382 30 20 JCED CC(C)(C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)c1ncc(Br)cn1 1830940914 FZMBEIFQHBLDQP-IBGZPJMESA-N 466.336 0.887 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCO2 1831111267 CGOCGDWZYSVZGZ-YKSBVNFPSA-N 454.527 0.795 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218055 JOKBHAFOHMKVHC-MZNJEOGPSA-N 457.502 0.814 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCN(CC)CC4)cc3)C2)C1 1831402889 UMXUYOPQCVUNMJ-AMGIVPHBSA-N 498.624 0.937 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1831433825 ZFHLZGLOOFITFF-XMODTWTHSA-N 497.589 0.262 30 20 JCED C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)C(F)(F)F 1832149905 RPEXAASGCNSGRO-VQTJNVASSA-N 455.433 0.870 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)CCO2)C1 1832749912 NPMPWLOVCYSRCQ-IECBHUPTSA-N 489.594 0.591 30 20 JCED O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccc[nH]1 1832878746 IWSMOLPTWORYIA-BTRVLGORSA-N 491.545 0.120 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833028881 WQYREYNVYKUKKX-HJPURHCSSA-N 458.515 0.253 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1833213865 GDJQOHKQJNRFMJ-VGSWGCGISA-N 455.559 0.651 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)CCNC5=O)CCO3)C2)c(Cl)c1 1834563958 NNXBARCLFACBST-QHCPKHFHSA-N 498.927 0.535 30 20 JCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835112606 SCAALBNFWLVVQO-UGSOOPFHSA-N 471.587 0.874 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835629855 KZXXJQURIIEKQK-HJPURHCSSA-N 491.545 0.552 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836066665 XQHGIXOLDMXNSM-DVECYGJZSA-N 489.573 0.336 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)c1cc(=O)nc2cccnn12 1836098568 XFEQXGOCOJQBJH-WGOQTCKBSA-N 491.552 0.987 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)cc(C(F)(F)F)c1 1836212808 NJFVGOIEHGFDIG-HXUWFJFHSA-N 478.431 0.939 30 20 JCED CCc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c1Br 1836284940 BOTKNVYAHWMSTQ-GOSISDBHSA-N 454.325 0.729 30 20 JCED CCOc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cnc2c1cnn2C 1836378713 XFXSUNMOTAGSHW-QKKBWIMNSA-N 463.560 0.755 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837246664 IBSUHHBZVMTOIE-KCEHZKJRSA-N 463.556 0.552 30 20 JCED CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)C(C)C 1837528654 MEJCYGUGNGPIRT-ZRDFPLCTSA-N 469.535 0.560 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837532684 FDADWDSHFDPXRB-YQSPIZQZSA-N 469.535 0.561 30 20 JCED CCOC(CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)OCC 1837533189 KOLAAKWYQXNRJS-SUGVQOHVSA-N 471.551 0.761 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837924113 KSYUSSRWCLVOLF-WTSMWHHMSA-N 467.910 0.729 30 20 JCED CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839043537 GPYXFLTUQXWHNC-XXBNENTESA-N 496.486 0.911 30 20 JCED CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)C1 1839068864 LQVMDOMAIUIPTI-RDPSFJRHSA-N 456.543 0.735 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1839175166 SLAIFJWHGQDDJQ-DEOSSOPVSA-N 485.493 0.401 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187282 TXYNUTHRCGXNEQ-XMSQKQJNSA-N 461.494 0.143 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 1839352321 HZOQNVNQPQYIOW-BNOLWBGWSA-N 476.461 0.662 30 20 JCED COCCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n1 1839488505 WHOSNDKHENIBNC-XMMPIXPASA-N 493.524 0.661 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1839779498 AMENYMONMJMKET-REWPJTCUSA-N 475.567 0.524 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)C1 1839839599 GZFZHDKOGBVFSI-UQBPGWFLSA-N 485.585 0.690 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1839889597 DECKQXWAFJJAKB-KKSFZXQISA-N 491.532 0.930 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)ccc3OC(F)(F)F)C2)C1 1840043165 HHOVSNISGLGNBC-LJQANCHMSA-N 474.363 0.882 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1840157518 RQDHNFBFRHXQEC-HTZUNMPGSA-N 471.576 0.340 30 20 JCED COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1840279444 XYCFABXXJIFCRB-XMMPIXPASA-N 466.494 0.986 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(NC(C)=O)cc1)CCO2 1840725651 CYDWYGSSEZUHKQ-XXXZYALBSA-N 470.526 0.573 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nc1 1840813182 KBIFSMQJBXFXFT-OAQYLSRUSA-N 462.528 0.249 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)CCOC1 1840814678 DNDOTOBXRBYCGI-BJKOFHAPSA-N 492.573 0.820 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840900895 UXMLSHGORDMPFL-CLOONOSVSA-N 485.585 0.543 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CCCC34CN(C(=O)C3(C#N)CCC3)C4)csc2n(C)c1=O 1845014494 NOGCUEONIRMENC-UHFFFAOYSA-N 455.540 0.738 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 19298521 MUITUEZKIXFHHX-GOSISDBHSA-N 497.595 0.994 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480213394 KXSRVPQXXPHHRF-UHFFFAOYSA-N 473.551 0.373 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCN(c3ccccc3F)CC2)n(C2CC2)c1=O 502039294 ALDGXTUULBKPIL-UHFFFAOYSA-N 478.553 0.969 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1-c1ccc(C(N)=O)cc1 608826924 UKSUWPLFXDJRSQ-UHFFFAOYSA-N 488.978 0.978 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1 728533760 SHBMJSHSSJTJDI-UHFFFAOYSA-N 450.561 0.233 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(C(C)=O)CC1 828067234 DZPKXOXHWOMGEO-KRWDZBQOSA-N 464.544 0.518 30 20 JCED CNS(=O)(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1159881710 PGMNGDIHEFFBQS-UHFFFAOYSA-N 454.574 0.499 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCNC(=O)C(C)C)CC2)c1C#N 1304732195 YNIJXRGOEKLVNF-UHFFFAOYSA-N 470.582 0.429 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)CC1 1314646727 YLXCSOVLEDTCEF-UHFFFAOYSA-N 498.657 0.988 30 20 JCED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 1438409295 ORFSOWDUGKJUAV-IBGZPJMESA-N 450.561 0.782 30 20 JCED N#Cc1cc(Br)ccc1CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1473239593 OHKWREJZCDGDRA-QGZVFWFLSA-N 455.378 0.742 30 20 JCED C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1508434075 MNUUTOQBZITUGS-HOTGVXAUSA-N 460.560 0.933 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1547782393 VYDFTPIKPDXISN-RXVVDRJESA-N 459.576 0.401 30 20 JCED COCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697729816 ZOKTZUCCNBCTLY-QZTJIDSGSA-N 481.623 0.460 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCC(F)(F)F 1706865755 CYMGVHSGNGBSLD-NSHDSACASA-N 451.475 0.697 30 20 JCED CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1750198607 QUKSCPWTHPQTKG-SFHVURJKSA-N 461.544 0.894 30 20 JCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)[C@H](C)C1 1760608550 GPXIIMZSAXOTJY-MRXNPFEDSA-N 457.560 0.909 30 20 JCED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1768259344 MPRUMWWYXKEPOV-KRWDZBQOSA-N 473.559 0.719 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016348 SDQZYBONOUFGAW-YQNSVDCASA-N 477.587 0.541 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)cc(OC)c2)C1 1780090381 KJXGJVWAZIUERZ-PQNGQFLHSA-N 472.542 0.845 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cc(C)c(O)nc4=O)CCO3)C2)c1 1780175070 FDNUQKBYECVJDR-QHCPKHFHSA-N 467.482 0.281 30 20 JCED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CNC2=O)C3)c1 1781147952 WRCVJPBRQWRDJB-WZONZLPQSA-N 453.499 0.546 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c3c(nn2C)CCC3)C1 1781366221 DSAYVWHFSJQIKW-KTTXHFHUSA-N 455.559 0.895 30 20 JCED O=C(Cn1ccncc1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1781485256 KWMXZKNIKVEFES-YNKUXIDESA-N 461.519 0.286 30 20 JCED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1781601751 IWILXQAQNBWCPU-IPRDPGLQSA-N 490.626 0.484 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781968322 HDNYHZYQVOVMKB-NFBKMPQASA-N 468.489 0.611 30 20 JCED C=C(Br)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1783765010 HWWCGYNYLNUICL-IFXJQAMLSA-N 475.384 0.967 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784013081 TZIQJKUCJVVKRD-PKKBDPGCSA-N 481.590 0.761 30 20 JCED CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784643120 DBOVQTODSOWGHP-DNQNUKJESA-N 452.552 0.657 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785370621 ISRMYUSLISSZCR-WAIKUNEKSA-N 478.546 0.967 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)CCO2 1785423957 KUDANVFADQDUTM-QHCPKHFHSA-N 483.550 0.521 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1)c1ccc(O)cc1 1787093092 BRYRIWJWGITXDW-QIJZPMMNSA-N 452.515 0.556 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(OC)nn3)[C@H]2C1 1789106728 XKHHQTHGKQSNRH-CAMMJAKZSA-N 487.557 0.995 30 20 JCED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1790569075 NJZQGRRMOYZEEH-UFYCRDLUSA-N 457.600 0.955 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1790662600 JWECNCGWUVYAKH-HJJDGDTKSA-N 499.564 0.320 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1792147039 KCYQLXJUTJINCY-BQFCYCMXSA-N 453.503 0.250 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1793206500 NGAJIWCLMNNBEV-CUDBPUKSSA-N 481.597 0.907 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(=O)O)ncn2)c(O)n1 1794365119 PKBNNRRQLXWQQZ-HBCWATKFSA-N 467.482 0.911 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)c1 1796429096 XTARYNBPSOEURC-PVWSKULASA-N 471.539 0.573 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cc(C(F)(F)F)ccc2n1 1797425657 KVOQETIBCUOUTC-KSPBDQMDSA-N 450.373 0.644 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2 1799321865 PGKMQKFZBRWUGD-YYIAUSFCSA-N 452.552 0.524 30 20 JCED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1800202509 RVXVEZXEDXYHBX-RIROHPGSSA-N 473.530 0.319 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800395391 AVFLERSADFOCPJ-ADHGMGHFSA-N 483.587 0.070 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(Br)c1[N+](=O)[O-])C2 1800779641 QWHXGKXDZATJRJ-CULMDFNYSA-N 466.244 0.649 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(O)c1 1800812609 BBNWJNODYHHIOT-UKBAYJJMSA-N 458.515 0.907 30 20 JCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c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n2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1cccnc1 1804389980 LYXPPYUOYQKYRH-WIYYLYMNSA-N 491.552 0.338 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@@H]2c2cccnc2)c(C#N)c1 1807708501 VRBKYXKSPCCODT-BZVKRPRLSA-N 463.538 0.933 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1810356000 GXKPOLFFYOQJDL-HWPHHQIKSA-N 495.540 0.870 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2C1 1818638591 FQRNIDIYCMIOKC-HIFRSBDPSA-N 468.601 0.765 30 20 JCED CN(CC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1)C(=O)C(=O)O 1819908586 WCTGUQCIWSBJIE-JSVAIXOHSA-N 467.504 0.127 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822027290 HKEPUFKMCVENKP-LJQANCHMSA-N 470.530 0.639 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)CC1 1823748707 YWARKDCQSDDZRZ-JLHSHEGMSA-N 477.558 0.959 30 20 JCED O=C(C#CC1CC1)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1828575004 GMQAYMZCHKTNKP-MCEYFSPLSA-N 480.565 0.575 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(=O)OC(C)(C)C)C2)C1 1829773379 IFBLUUXTQZPDRP-OIMFYEQDSA-N 494.589 0.605 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456219 GENBALYMGGZGCQ-FDDCHVKYSA-N 492.598 0.275 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1830835799 CMNLMUKRLXCAOR-RUZDIDTESA-N 482.537 0.608 30 20 JCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831188958 SYIUYAUHKCXXAZ-MZNJEOGPSA-N 472.542 0.480 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)nc2ccccc21 1831213721 UNSRILGOPFSKQA-DEOSSOPVSA-N 450.495 0.417 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)c1cc(O)ncn1 1833554802 YYJCTFLOBYHBGB-NFCNUSAFSA-N 460.535 0.896 30 20 JCED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CN4CC(=O)NC4=O)CC3)CC2)cc1 1833710578 UCPVWMGLOQLMNK-UHFFFAOYSA-N 466.542 0.224 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(C)n3)CCO2)C1 1834124930 KRAYJAQNVOWOJP-MHECFPHRSA-N 489.573 0.715 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cn(C)cn2)CCO3)c(C#N)c1 1834448256 MIKZVRMPUCQSFM-QHCPKHFHSA-N 453.499 0.613 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2)c1cccs1 1834561395 APLSZZQVPGAQKB-OSFWOZTASA-N 499.549 0.197 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1)N1CCN(C)CC1 1834716785 XVZNYGAXKBBSDH-HXUWFJFHSA-N 475.682 0.476 30 20 JCED COCCn1ccc(C(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)n1 1835185081 FYJVPBGCLNGXHT-UHFFFAOYSA-N 473.622 0.997 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3CCOCC3)CCO4)c2c1 1835192223 VHXFHXVRCDRMSO-QHCPKHFHSA-N 453.499 0.931 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOC)CCO2)C1 1835240711 YVCMXIYRABSCPA-VGOFRKELSA-N 453.536 0.396 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CNc4ccccc43)CCO2)C1 1835716561 YCOZURXOAWEOGQ-CYFREDJKSA-N 455.559 0.934 30 20 JCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)o1 1836026999 UPEWJWBPNHOYEW-JOCHJYFZSA-N 465.470 0.439 30 20 JCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1836376795 COXRYMPYYKSIOM-HXUWFJFHSA-N 461.651 0.929 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1)CCO2 1836727784 UIIYHFPEEMLIQB-DKLXNKCPSA-N 497.564 0.830 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncncc3c1)CCO2 1837022396 MGBJNHAQWDRXQO-XLQQFJOYSA-N 465.510 0.558 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1837397254 NYPJVUAQSLUJRZ-NXMSCROESA-N 498.621 0.258 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1837399700 ZTJONDYPXMHJLO-CYFREDJKSA-N 469.542 0.910 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1837533433 UBAAOAFJKWFXOZ-RXRGDLQPSA-N 452.552 0.458 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838117264 PPODNMBCFILXHU-MBSDFSHPSA-N 453.499 0.376 30 20 JCED COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(OC)cc4C#N)CCO3)C2)CC1 1839131559 KUVWLAGFZUZVBA-DEOSSOPVSA-N 457.527 0.992 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839167222 NCXKHBRDOPSOBA-VQDLLJBESA-N 480.562 0.047 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)no1 1839487327 BRIXDDCFNQKJGR-QFIPXVFZSA-N 465.470 0.439 30 20 JCED CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488795 FRAFTLAPZMJDDJ-WAIKUNEKSA-N 454.531 0.845 30 20 JCED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839489491 YZKBJFMDWWYWRR-AVRDEDQJSA-N 473.555 0.619 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cc1ccncc1)CCO2 1839656245 JKGATQNZIDQUSA-KZUTWHODSA-N 456.543 0.575 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(S(=O)(=O)CC)cc1)CCO2 1839801710 YKQFSUPNELTYEQ-HSZRJFAPSA-N 462.568 0.893 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)cc(C(F)(F)F)c1 1839872654 KMBYNTSUOVSNJI-HRAATJIYSA-N 480.443 0.783 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840011193 RPMOZPHKWQUFDP-IBLNIGRDSA-N 491.541 0.319 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4C[C@@]45C(=O)Nc4ccccc45)CCO3)C2)CC1 1840016975 IYZGKPOBVGXWIP-VEYWIMSWSA-N 450.495 0.657 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)C2)C1 1840044191 POKCTWISKTZXRM-WODVNSBQSA-N 452.385 0.662 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1cccnc1)CCO2 1840449378 CVFNGFTWJXBWNV-AWWPTUBISA-N 458.515 0.164 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2 1840712241 AZRWMJRGQLSMKY-VGSWGCGISA-N 463.556 0.818 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1840818925 GCBDIGLQPYGLJW-DEOSSOPVSA-N 472.542 0.116 30 20 JCED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)C2)cc(C(F)(F)F)c1 1843235356 QKALHHLWELZEGN-UHFFFAOYSA-N 472.387 0.834 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843808861 TXMOGUKCLRIIMV-UHFFFAOYSA-N 462.514 0.670 30 20 JCED Cn1c(=O)c2c(CC(=O)N3CCCC34CN(C(=O)C/N=C/c3ccco3)C4)csc2n(C)c1=O 1845014296 RPJULIKLHYRJBU-YSURURNPSA-N 483.550 0.757 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(F)c(C#N)c2)C1 1845204080 FPFZMSPZCXUEHK-HXUWFJFHSA-N 452.490 0.914 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)c3ccc(CC#N)cc3)C2)n(C)c1=O 1845411257 YTBPQOSFEJFQMC-UHFFFAOYSA-N 475.509 0.017 30 20 JCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Br)c(O)c(OC)c2)c1=O 436796214 IVIWNSDJUZKJDN-UHFFFAOYSA-N 494.367 0.768 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 503629106 OLLXKQRDNQRSGM-UHFFFAOYSA-N 477.587 0.198 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)cc1 643083291 SOOGQDBNUGGNJT-UHFFFAOYSA-N 494.595 0.667 30 20 JCED N#CCOc1ccc(CNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 727947210 FWTYSGQYKSJCJY-OAQYLSRUSA-N 464.478 0.858 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CC1 728534028 DISPHVDFPNYXPZ-RTBURBONSA-N 460.600 0.860 30 20 JCED C[S@@](=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 749636150 NRMRMGMVORPJMG-WJOKGBTCSA-N 475.548 0.986 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 915444996 VAVGJZUVZSZTKL-ZDUSSCGKSA-N 485.515 0.801 30 20 JCED COCCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918407388 ZHALTFOTMKPNIG-PLRJNAJWSA-N 493.586 0.439 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)(C)C)s2)c(=O)n1CCOC 920395484 UGTLRKZQVHUTRJ-UHFFFAOYSA-N 450.586 0.576 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(N4NC(=O)CCC4=O)cc3)CC2)o1 920696287 DPSGBBDISIABEK-UHFFFAOYSA-N 466.454 0.518 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCCC1 1510217875 LHMQTFQOEOYIQQ-WMZOPIPTSA-N 450.613 0.551 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1517629830 YHUJNTIILFOHEK-UHFFFAOYSA-N 467.559 0.791 30 20 JCED CN1CC[C@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)C1 1618466195 KVRLJAXILDDBSK-SIKLNZKXSA-N 489.602 0.186 30 20 JCED CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 1695908273 WITVBFQBTRYGFS-JOCHJYFZSA-N 496.616 0.708 30 20 JCED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1=O 1698076489 ZFQFTBQRXCOTTH-AEFFLSMTSA-N 451.531 0.979 30 20 JCED CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O)C1CC1 1698306031 UCGBKFAXXQUMDW-UHFFFAOYSA-N 452.562 0.379 30 20 JCED CN1C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCS(C)(=O)=O)CCN2C1=O 1711274102 OFJKQMHRVUQFSL-INIZCTEOSA-N 459.532 0.329 30 20 JCED Cc1nccnc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1742642237 HPAUTKACHQTSEE-NVXWUHKLSA-N 459.580 0.406 30 20 JCED N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCS(=O)(=O)N2CCSCC2)cc1 1750383404 UYCGWJKSGGLYKY-QGZVFWFLSA-N 475.600 0.507 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNC(=O)c1cccs1 1761499789 ZWQDLUVVRVCEEW-GOEBONIOSA-N 492.631 0.556 30 20 JCED COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1771119259 JLSPOINMGGROFA-MOPGFXCFSA-N 476.559 0.707 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1n[nH]cc1[N+](=O)[O-] 1779602710 SXVDCCHAWPTZKH-YVTMVBNISA-N 464.479 0.974 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CCO3)c1 1780600656 QACFZYZPTOWMSY-GLDPYIMESA-N 497.577 0.182 30 20 JCED CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CC#N)cc2)C1)C(=O)C(=O)O 1781014498 KXTZGPPVOJOQDI-WZONZLPQSA-N 456.499 0.423 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781299215 ILVVIEOKUBNDHW-XXBNENTESA-N 476.505 0.913 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781339338 CHCFFTBPCAHILF-MSISTTHUSA-N 481.594 0.564 30 20 JCED COCCOCCOCCOCCC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1781380887 ZBWINVBUMCNMEL-HSZRJFAPSA-N 452.548 0.316 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN(CCO)CCO)C2)c1 1781840810 CCUDELVVBHQAES-UWUFEASWSA-N 472.586 0.728 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCCCNC(C)=O)NC(=O)c3ccccc3)C2)C1 1782875213 LWNONBYBLSKIBR-BWKNWUBXSA-N 468.554 0.555 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1783269717 YQNMCCJVEGLLAW-BUKPSGGLSA-N 487.557 0.814 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)C2)C1 1783495197 SHBCJQMLHAXAQL-KQHKVODXSA-N 491.585 0.879 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OC)c(OC)c3O)C[C@@H]21 1783530538 BRYIIKQALBXWKY-LYGXWFJISA-N 473.526 0.861 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1783641518 CNOMTNRAYMGBRY-HJOCRKTISA-N 479.574 0.615 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1784269506 BLAHHIYNPSVBLW-JCECYMMASA-N 463.531 0.748 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](Cc4cnc[nH]4)NC(C)=O)C3)C2)c(O)n1 1784369883 RZGZXIARKAFFQL-BWKNWUBXSA-N 496.568 0.820 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1784518225 JZYYNDLTJGNTHN-VJANTYMQSA-N 454.589 0.345 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)C[C@H]3C=C)C2)C1 1785596074 KFBNIAOYLIAFQH-HPCCJCSGSA-N 476.574 0.976 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncccn3)[C@H]2C1 1786110647 YMUCISIDMOCSHJ-XSLAGTTESA-N 457.531 0.987 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787150758 AAAPYGGDUDCLCN-FHIRATQRSA-N 452.533 0.023 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1788775981 YDYALXQTUOJZNZ-MVWVFHAYSA-N 472.542 0.240 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C)nc3C(F)(F)F)[C@H]2C1 1788893618 CKAFCJNXULNXKI-KIDWBVPLSA-N 469.464 0.891 30 20 JCED CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C[C@@H]21)C(=O)C(=O)O 1790635607 UNXJFAIDXVTORI-JQFCIGGWSA-N 496.442 0.713 30 20 JCED COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1791142772 IOKXPYNPRZFMQN-ACRUOGEOSA-N 452.548 0.076 30 20 JCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)C[C@@H]32)CCC1 1792139699 LRCYCGPVQSIPGM-MPGHIAIKSA-N 475.509 0.858 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CCC4)[C@H]3C2)CC1 1792139853 ZTMKCBPJFIONFT-BZSNNMDCSA-N 452.577 0.332 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)[nH]3)C[C@@H]21 1792256489 CQQZHGJUEJVMAL-JKQORVJESA-N 461.519 0.625 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(Br)cc(F)cn3n1)C2 1793346176 BXGXSLDYBJFXDE-JFILPPLUSA-N 494.321 0.872 30 20 JCED CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C/N=C/c3ccco3)cc2C1 1797839666 SQBKHIVFMQBIGL-IUCMUBOISA-N 454.531 0.634 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798695801 MDLAPAAAAUQLHD-GMQQQROESA-N 467.501 0.976 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C=CCN2)C3)CC1 1799236606 SKSFRQBBJCPIGF-RDGPPVDQSA-N 473.574 0.645 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)[C@@H](C)S)C2 1800987034 CJTCVWYVURHNNB-LBKYZSNHSA-N 450.561 0.530 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2 1800988617 ODUNLPMOJAWYEL-RPUYLAQPSA-N 486.635 0.656 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1802025144 LJEOWMLUEYXLJR-MVJTYMMSSA-N 451.520 0.446 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C2 1802125477 VUJYCXNFTGFKLK-OGJJZOIMSA-N 464.563 0.407 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C\C(=O)NC1CC1)C2 1802125843 XUKZSWQKFIVBQT-RYTTYMKHSA-N 474.558 0.327 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1804408830 HSRXBILEEWNBJR-CNALLMJASA-N 478.546 0.637 30 20 JCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)C[C@H]1CO2 1807749113 MHIUSXYPWMQQEW-DHCLVHEYSA-N 498.536 0.954 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1814060627 VOCFHLKNOGUSJP-SPEDKVCISA-N 476.493 0.636 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](COC(C)=O)OC(C)=O)sc2C1 1819852020 RWWPTIMROQADBX-WPGHFRTFSA-N 451.501 0.588 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671606 KFKSYGGTWJMCSX-RGDDPNHNSA-N 492.554 0.904 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN)C2)C1 1829125312 WUNVJOCGKXXDPN-NTKDMRAZSA-N 458.559 0.970 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1830054378 PBKDMEYXKNZUES-QHCPKHFHSA-N 457.531 0.538 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(C)(C)C 1831088209 HCHPXSGPPAAEOC-MANSWXSNSA-N 482.578 0.523 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H]3COc4ccccc4O3)CCO2)C1 1831228174 PKPJVNIGHDPYEU-IECBHUPTSA-N 458.511 0.711 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1831420547 XNAKETLIGJVSKZ-CYFREDJKSA-N 459.543 0.806 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(Cc4ccccn4)CC3)CCO2)C1 1833108844 MKPJBSDEVZOOLP-LVXARBLLSA-N 484.597 0.788 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833564432 ZEDPVHCHTRAAIX-NQIIRXRSSA-N 485.628 0.651 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1835714512 PQAUYIZSLZFKOT-APWZRJJASA-N 457.637 0.812 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1836214322 ZNOLMFNOOZFVDD-XMODTWTHSA-N 497.589 0.404 30 20 JCED CC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320887 VTFFVXJXMVIPHY-KXBFYZLASA-N 456.421 0.813 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)[C@@H](O)C1 1836769506 MYRRPXWCGMZSQT-RTFZILSDSA-N 480.562 0.364 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837046778 WJNBVWFRBKLNOL-OAHLLOKOSA-N 451.524 0.338 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1837302232 XSLTVOWKAQCHPT-HXOBKFHXSA-N 457.531 0.465 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)N2CCOCC2)CCO3)c1 1837522508 IBGPQKSGKNEOCI-OUOWLKGYSA-N 472.542 0.034 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1837735533 RDZDXZRGPKMMFS-JBUDQFAYSA-N 472.542 0.535 30 20 JCED Cn1ncc(Br)c1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838183318 ZOIWZBGEPFKDPD-UHFFFAOYSA-N 467.320 0.883 30 20 JCED CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838736859 BGCMMZONVGALRW-QHCPKHFHSA-N 473.530 0.823 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)cc1 1839363182 MYPCJJSOTJJOGS-JOCHJYFZSA-N 453.503 0.156 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)cc(C(F)(F)F)c1 1839443541 NYEBCMDUPHZWFU-IERDGZPVSA-N 480.443 0.783 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1ccnn1 1839488615 BOMNJFBLBKCPTL-OYHNWAKOSA-N 464.486 0.357 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc6cccnn6n5)C4)C3)c2c1 1839489106 PRPBWTYGIWMMIK-DEOSSOPVSA-N 486.492 0.861 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccnn1 1839710035 BAWGSKRUEVDPSX-QRQCRPRQSA-N 464.486 0.357 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCCCNC(C)=O)NC(=O)c1ccccc1)CCO2 1839744594 CCLDMKCKNIBXPC-ATIYNZHBSA-N 498.580 0.181 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039624 AQYXPUIDSIGVMT-SBUREZEXSA-N 479.530 0.320 30 20 JCED COc1ccc(-c2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)no2)cc1 1840041971 SGELZNBHLIIAQC-HSZRJFAPSA-N 469.450 0.508 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1)NC(=O)OC(C)(C)C 1840322940 GFMNRNQNKVNRDI-HXOBKFHXSA-N 498.577 0.658 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458626 PYWVJHDIYNYMTC-DEOSSOPVSA-N 465.510 0.816 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CN(C)C1)CCO2)NC(=O)OC(C)(C)C 1840573434 RVXXDJPSNOTCFR-NTKDMRAZSA-N 480.606 0.864 30 20 JCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCN(C(=O)OC(C)(C)C)CC4)CCO3)C2)C1 1840805653 DEPXDMKFKMRRHO-RUZDIDTESA-N 492.617 0.962 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1840906937 MDZFWVVPPXZCMJ-QVKFZJNVSA-N 479.559 0.525 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)CC)C2)C1 1840909072 MAQCXMWMIAHGMO-YDIMBITNSA-N 480.606 0.700 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OCC)C1 1844160879 GNWLPYVRAHEDQK-CABCVRRESA-N 452.508 0.171 30 20 JCED COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 518076248 ADFSVHARBFBVJL-UHFFFAOYSA-N 464.482 0.533 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CCNS(C)(=O)=O 521295651 HONOFGUIRJLWCJ-UHFFFAOYSA-N 468.626 0.112 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(OC)nc1 608884228 BKCUMUKDRGQNNG-OAHLLOKOSA-N 480.546 0.965 30 20 JCED N#Cc1ccc(N2CCC(NC(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC2)nc1 608983404 ABTOMSMRIQVEPG-UHFFFAOYSA-N 498.613 0.768 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 613078019 CBQHLEQPJILBFK-UHFFFAOYSA-N 470.551 0.451 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccccn2)c1=O 729674839 ORCDXQDAGHESAR-UHFFFAOYSA-N 483.527 0.464 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(C)ccc1C 839014173 YQPHMCMHXYKHQK-UHFFFAOYSA-N 451.552 0.905 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 891312110 DEHMGOODPXGZNP-LLVKDONJSA-N 492.348 0.931 30 20 JCED NS(=O)(=O)N1CCc2ccc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cc21 918639231 LEFACMWQZDXMDQ-UHFFFAOYSA-N 463.541 0.710 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC12CCOCC2 1301808609 GMVUPVRXYYJHGP-ROUUACIJSA-N 482.607 0.794 30 20 JCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1314531261 XNOJNBPLULIOJQ-UHFFFAOYSA-N 460.560 0.983 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C(C)C)N1CCOCC1 1360240859 RPRREFUJDROOTR-WOJBJXKFSA-N 458.611 0.950 30 20 JCED CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 1463751785 SPQMCUUUKJEDRK-UHFFFAOYSA-N 451.368 0.870 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cc(Br)cn1 1510196658 XOTOGCPAGDVGNM-ABAIWWIYSA-N 475.348 0.989 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1COCCO1 1510215676 WFUHZRIKCXJHRB-YLJYHZDGSA-N 489.602 0.498 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)F 1752281676 PAZMVTFGMXYYKW-CQSZACIVSA-N 488.503 0.272 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCOCC2)CC1 1767847948 USYQAXYLNRDJHH-UHFFFAOYSA-N 473.603 0.915 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1778784790 QQVMGWMFWJIRFT-DNVCBOLYSA-N 485.419 0.480 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1778806578 IWNIXEKKNZEGLT-AOMKIAJQSA-N 479.582 0.277 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)CCO2)C1 1778975572 HAYXQYGQPGHYHS-KBMIEXCESA-N 494.633 0.942 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1779063249 SIBGURBRLILQBP-QHCPKHFHSA-N 453.499 0.577 30 20 JCED CN(C)C(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779418193 REJQNVSHHIYVNX-AMWMHNFHSA-N 453.540 0.301 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2ccccc2=O)CCO3)c(C#N)c1 1781175078 XQSHAFJGKLWRBZ-DEOSSOPVSA-N 450.495 0.801 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)C(C)C 1781386033 BEHIYLLMEDEGJU-TXXWUTRGSA-N 484.619 0.506 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c(Cl)c1 1781967665 RNWMIURYUBHODK-GOSISDBHSA-N 456.823 0.380 30 20 JCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)cc(C(F)(F)F)c1 1782030678 CCGRIIKYKOVVHR-YWZLYKJASA-N 479.415 0.619 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)N1CCN(C)CC1 1782199805 YRCQLWLCIGFRKU-BXKMTCNYSA-N 465.558 0.514 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783116454 SEBCHABMEYXSGO-UZUQRXQVSA-N 476.530 0.281 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1783530594 JQUBNRRAJMPNFR-UYBBGVAXSA-N 462.510 0.886 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565730 YCMXWRVTYBMVNH-NHCUHLMSSA-N 453.467 0.253 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1)c1ccc(O)cc1 1784015174 WIHNMNNCCCDXES-AVRDEDQJSA-N 479.470 0.444 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)NC(N)=O)C[C@@H]21 1784786548 ZPZXFVSTDJHSLR-ATIWLJMLSA-N 481.594 0.882 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCS(=O)(=O)CC4)CCO3)C2)c1 1785076984 MIECNVLWWNVDKA-FDDCHVKYSA-N 474.583 0.488 30 20 JCED O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1785217003 VWFXJLYINXNOCT-CAUZGTQDSA-N 464.479 0.300 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n(C)n3)[C@H]2C1 1785595164 OHEXADSXXKPUAW-OVWQWFNUSA-N 475.546 0.636 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1788659862 WKGIXSNPQHWBNX-MYGLAACXSA-N 457.491 0.247 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]2C1 1788771581 DLIMZCYYXWIRFK-HVTWWXFQSA-N 496.605 0.587 30 20 JCED C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791043722 QWZOXQNXHGGKJM-BVBHFADKSA-N 457.483 0.369 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CN(C)C3)C[C@@H]21 1792266729 PYNLDGDBTSFWAT-CGPDCMRHSA-N 462.591 0.997 30 20 JCED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2ccc(C#N)cc2)CC1 1792424129 GPODCWIOZPLGEE-BRTYFSMRSA-N 467.570 0.245 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1793352873 QWZPFLSZRMSWHF-KBVWPGPTSA-N 481.590 0.931 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC(=N)N)C2 1793595591 SDAPKEPKMGCOPI-FQLMCAECSA-N 455.581 0.672 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C\C(=O)NC1CC1)C2 1793597641 QLZBDJUHNHFRFR-RYTTYMKHSA-N 476.574 0.880 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccc(N2CCOCC2)cn1 1794442082 JYTVYKHAHLAXOG-SEQWNCGRSA-N 487.557 0.650 30 20 JCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O)c1ccc(O)cc1 1794975177 MOQXEDKITZSDMD-FLFXDLLNSA-N 491.548 0.733 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cncn2)CC1 1795852660 ZDMHDOLAQWOXEN-IZZQQSIFSA-N 487.561 0.409 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1796334901 UZLMIHPUXDCSSV-ZSXDVEMLSA-N 467.563 0.803 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)c1 1797738900 HVACBCOSHBHAMY-YAHCNQDQSA-N 463.560 0.160 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797817065 XGQNWUCGQGGOFK-XOMSMDBKSA-N 454.524 0.630 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(N)=O)C2 1798358130 OYIWLKLUDJKBKF-YYIAUSFCSA-N 495.577 0.696 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(=O)nc5cccnn35)C4)c2c1 1799884207 LNWYWMJAPYSDHL-USGNIVHTSA-N 484.476 0.354 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)=O)C2)NC(=O)OC(C)(C)C 1801932098 POJKWKXOJFBFQC-AXVVYFOYSA-N 452.552 0.572 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCSC)C2 1802126635 MDXJJRZZJBZNKB-CWQOZTLDSA-N 469.604 0.607 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1812880965 OUNSJDPKADUBGG-LAUBAEHRSA-N 451.483 0.476 30 20 JCED C#CC(=O)N[C@H]1CCc2nc(NC(=O)Cn3cnc4c(O)nc(NC(=O)C(C)C)nc43)sc2C1 1824823280 XFTPQWJIMPUHET-NSHDSACASA-N 482.526 0.828 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827994635 QHPLOYOAPAUGHH-WFASDCNBSA-N 461.544 0.899 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829206687 VPGVURYTYRPIBR-MZLICYQSSA-N 456.543 0.737 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCN(C)C(C)=O)C2)C1 1829260049 FLQMICVHSKYJBX-XMMPIXPASA-N 454.527 0.940 30 20 JCED CCC1(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)COC1 1829334251 FVDLLLBJRGJUMB-VWLOTQADSA-N 483.521 0.953 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc([Si](C)(C)C)c3)C2)C1 1829770300 IMVJIGBSHLTRLU-FUMRIQNTSA-N 475.618 0.753 30 20 JCED COCCOCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830467216 YBQROASKNBWDBE-JOCHJYFZSA-N 450.919 0.811 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831202977 XAERMXSRTSKVJN-RUZDIDTESA-N 486.569 0.872 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1832452547 BVEUOUGIWVWXMT-FQEVSTJZSA-N 466.516 0.988 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1832456672 UWJLFUQJPSFNKX-HSZRJFAPSA-N 498.565 0.560 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cccc(=O)n3O)CCO4)c2c1 1833475557 RXTTXYFNZWCBFP-QHCPKHFHSA-N 478.465 0.217 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3CCC[C@H]1c1ccccc1N3)CCO2 1835503734 JDSMJVLUGGFOGA-PMYHVQSLSA-N 467.522 0.909 30 20 JCED COc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835667333 CSSRDAOMFNPULG-XMMPIXPASA-N 474.558 0.812 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CN)c3ccccc3)CCO2)C1 1835811995 NCYULNUIZCVCPO-HYBUGGRVSA-N 457.575 0.467 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)CCO2 1836723530 LPUJNYYGDRLMNL-HOYKHHGWSA-N 479.574 0.738 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1837491050 JANDDOUYSGYTJQ-DEOSSOPVSA-N 472.542 0.434 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837547758 KHLLLJCVDYMLOF-FDDCHVKYSA-N 460.531 0.938 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1)c1ccccc1 1837611501 IWODXIOKTYXNAK-NLFFAJNJSA-N 482.537 0.192 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C3)C2)c(C#N)c1 1839133096 ZBVPHSJBSOWMSJ-MZNJEOGPSA-N 472.542 0.433 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CCOC1 1839191840 PFXFOJBCYPBSEZ-DHIUTWEWSA-N 478.546 0.430 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1839227693 JEXNTASISMIOFP-IIBYNOLFSA-N 479.490 0.014 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c1 1839421453 RWFZYWRIHASNNV-DEOSSOPVSA-N 492.467 0.484 30 20 JCED CN1N=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2Cl)CCO3)CCC1=O 1839422845 PEAJHIIGYBZSIJ-QFIPXVFZSA-N 473.917 0.890 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424496 NKKGXFJEENUBFP-AVRDEDQJSA-N 460.918 0.902 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486284 RKEGTWBRSLVNOQ-MBSDFSHPSA-N 468.514 0.419 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839552078 FQAHOELTKBBESZ-COQMUBBDSA-N 471.514 0.933 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1Cl 1839783645 LAFMGHSPWGUMFC-UWJYYQICSA-N 481.958 0.859 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1840059415 FQNDVCFROPPLHD-YJXLLHPSSA-N 473.592 0.131 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)CCO2 1840072945 FIUURIYBSFOEFQ-UWDQQESISA-N 487.553 0.791 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC=CC[C@H]1C(=O)OC)CCO2 1840143545 XYCRLAXNBRSSEQ-GLDPYIMESA-N 478.542 0.708 30 20 JCED CCN1CCN(c2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)cc2)CC1 1840774516 KISHIBWITPGOTH-DEOSSOPVSA-N 455.559 0.812 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840818446 CFJHGRUIQRMSRA-QFIPXVFZSA-N 484.469 0.198 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1840819353 GNIOVYQJOPHDKL-HSZRJFAPSA-N 483.550 0.976 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)C1 1843821441 SZRQUDOTLRISMS-JKCVZHOFSA-N 476.574 0.666 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CC1 1843837736 AVBAGYGZTPIWBB-KOMLCTQHSA-N 456.565 0.390 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cc(C)c(O)nc2=O)C1 1846969376 KLCGXCPMCUTNOL-INIZCTEOSA-N 473.530 0.377 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(F)c2F)c1=O 521667060 PTJOXSSOGNCDNU-UHFFFAOYSA-N 451.495 0.880 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 522537643 MPUZWHFIXLWVHG-UHFFFAOYSA-N 490.541 0.797 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCCC(=O)OC 604118359 HIPRYEABONBUCV-UHFFFAOYSA-N 491.591 0.296 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(c2ccccc2F)CC1 749274229 FEWUKLOZKWATPN-UHFFFAOYSA-N 460.487 0.868 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1S(C)(=O)=O 853706628 ZBCZKPAEKGMOKN-ZDUSSCGKSA-N 465.509 0.810 30 20 JCED COCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 918174640 UWDLIIPBQOFYBZ-UHFFFAOYSA-N 484.559 0.496 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nnc3n(C)c(=O)c4sccc4n23)cc1 919048922 YTNVUCDPJJJHGF-UHFFFAOYSA-N 457.493 0.911 30 20 JCED CCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1295928121 PFJVMTFJFYCJIS-CRAIPNDOSA-N 452.516 0.318 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CCO1 1301911536 KVBKIQURAWIDEV-FQEVSTJZSA-N 469.546 0.842 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCSCC1 1303862889 LMIRBLTWOHVPMB-WBVHZDCISA-N 468.653 0.114 30 20 JCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 1309312349 NCRGIMQAOAWEAK-HNNXBMFYSA-N 456.528 0.905 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1360653840 VSJSBUTZOSBMOM-CQSZACIVSA-N 466.589 0.974 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 1497055652 JKIDNBGYQNXGNR-OAQYLSRUSA-N 485.637 0.537 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 1508278767 KGSNIXUITJAMIL-HSZRJFAPSA-N 450.547 0.683 30 20 JCED Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 1511701845 WOQGQYRYXRCWJH-QFBILLFUSA-N 450.544 0.863 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1512357461 UJPYYSPYDHKRQW-WCXIOVBPSA-N 469.612 0.505 30 20 JCED CC[C@H](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)OC 1512765769 PLZALFBDEQNHMS-LUKYLMHMSA-N 456.569 0.401 30 20 JCED CCN1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1515851160 HZUJODOTZJONMP-KBAYOESNSA-N 450.613 0.549 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1541704206 NZIGJAKAOXUVMI-FQEVSTJZSA-N 453.547 0.879 30 20 JCED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 1653829376 IKMPHYCRXKSRLS-UHFFFAOYSA-N 450.608 0.778 30 20 JCED Cc1noc(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1751961622 PFTUHBQQUKFHCA-QAPCUYQASA-N 453.500 0.706 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1767011051 TVSREKXEBKBSQT-GOSISDBHSA-N 487.586 0.393 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)Cc2ccc(C#N)cc2)CCO3)no1 1779120358 YQEKBCPDSGJLLI-QHCPKHFHSA-N 451.483 0.657 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779366096 OLMQWJFHTAVYBZ-JKMHKZSOSA-N 481.594 0.815 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1781393772 VKKMXDKJFPHLEC-JLHGSKIFSA-N 470.567 0.893 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1)[C@H]1SC(=N)NC1=O 1781963012 AUADLTRKIFADSB-CFTTWAEZSA-N 459.503 0.943 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(=O)n5[nH]nnc5n4)CCO3)C2)c(Cl)c1 1781967874 AGVBUMRFEHOVQU-FQEVSTJZSA-N 468.861 0.095 30 20 JCED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783112014 RPJZBKCPIZMWIF-IIBYNOLFSA-N 450.561 0.690 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783451896 FPWZSPQWJUJCCB-SBUREZEXSA-N 490.557 0.620 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783466608 WORAAPVMGBDCAA-IRBZQWRBSA-N 461.515 0.551 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1783530960 ZBSWTNBKYYHLKA-JWKLDCHBSA-N 476.574 0.691 30 20 JCED C[C@@]1(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCN(C(=O)OCc2ccccc2)C1 1783668213 IJHFEVLICAXDJP-JWQCQUIFSA-N 483.521 0.953 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1784784306 HKUWEHXCVINJDH-XSLAGTTESA-N 487.619 0.870 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1785375512 CSJKLRPDDIKRCK-PUAOIOHZSA-N 493.520 0.773 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1785427896 ZNYPAUHWFSPZGX-HTAPYJJXSA-N 485.603 0.558 30 20 JCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4C(=O)OCc4ccccc4)C3)C2)CC1 1785428755 JYJFGZPQHOMWCW-RLSLOFABSA-N 482.537 0.892 30 20 JCED CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C[C@@H]32)CC1 1786730487 LHRSCLRPNKYTFC-VCOUNFBDSA-N 479.585 0.665 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN(CCO)CCO)C[C@@H]32)c(Cl)c1 1790231225 HBULTMNSNCBARG-QRFRQXIXSA-N 464.950 0.092 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327580 VDNINGZHXZQVAY-CJCBUOBESA-N 450.499 0.719 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C[C@@H]21 1790793617 JDPPILBONWNZBC-WFXMLNOXSA-N 451.523 0.694 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)cc1 1793010834 GLNZFEVJMCEHDF-WXQHOCMDSA-N 455.602 0.570 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794321291 XDADNSASMAGKDQ-HGKCTWBKSA-N 465.528 0.198 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077661 SUDFPCQMQTWSFK-HGKCTWBKSA-N 454.524 0.048 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1795894196 UGPDXRQWTWEINR-VLUPQCQJSA-N 467.563 0.537 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]n2)CC1 1796030613 HQZASMZNELTAAP-MUJYYYPQSA-N 473.534 0.549 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1796336119 DUQVJRDYUBUQOK-MHORFTMASA-N 462.547 0.906 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1)NC(=O)OC(C)(C)C 1797688145 TWZOTWMEEOKFGG-YGTYGHESSA-N 463.535 0.311 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1797808622 KWHTVXVKTJMKBM-SBHQHFPNSA-N 498.536 0.791 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2ccccn2)[nH]n1 1798169255 KNRLQVCDPSLTNL-ASLGKTPDSA-N 450.499 0.533 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)OC(=O)NC(C)C 1799127666 XUARUISABORWMV-ARNAYVAQSA-N 450.536 0.348 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1799683736 LWHSDRBGSATRSR-AJYBTWMASA-N 458.515 0.799 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1800984858 JEMZWVCHCXPFLK-LDXCWZNISA-N 471.620 0.902 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1800985864 PTDOJUDJVCSALY-PFHJDOJBSA-N 457.593 0.512 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2)NC(=O)OC(C)(C)C 1801928650 MLBVXDMEHJFNND-RCJHGTSTSA-N 462.551 0.878 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1802124881 MGUAOQLTDHOULP-JCECYMMASA-N 485.603 0.173 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)/C=C\C(=O)NCC=C)[C@@H]1c1cccnc1 1802476658 LWVFFHCCQUPSIE-VLNDJUQYSA-N 451.527 0.804 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804192962 SJPGAYLRTFZUSE-SLYNCCJLSA-N 464.588 0.409 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)c1 1807025596 JGOFJDGZQWCENF-ICSRJNTNSA-N 457.427 0.998 30 20 JCED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]2c2cccnc2)c(C#N)c1 1807194530 RJLJBOJFHCRZMZ-ZHRMCQFGSA-N 478.553 0.803 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809665934 SRPQXILROUKSSI-BTOOWLAUSA-N 482.585 0.110 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810149126 WTNGNPKYBQXIRV-VQIMIIECSA-N 453.551 0.702 30 20 JCED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1815213477 XJTAZGQCDDRPBV-NVXWUHKLSA-N 453.565 0.723 30 20 JCED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1819467907 HVWMEZNIXQOKCS-IHSVTSGESA-N 469.520 0.649 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)NC(=O)OCC)CC2 1822928053 PUOAGLLNQJYCCX-GTNSWQLSSA-N 454.505 0.629 30 20 JCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1823079457 UHGSJBKZYRRWDV-KGLIPLIRSA-N 471.605 0.586 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)CSC(=N)N)CCN2C(=O)OCc1ccccc1 1828946436 VIIDGOWXLYUIQE-NRFANRHFSA-N 458.544 0.979 30 20 JCED CC(=O)N[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829309576 XRPJJBLRXOLHDZ-UZUQRXQVSA-N 455.515 0.877 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1829770398 NXFHPXCKUCAXIV-QATSOJGNSA-N 477.587 0.266 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352948 WMBJBVWZUGLYAB-SEIBCYHCSA-N 485.581 0.816 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CCC5)C4)C3)CC2)ncn1 1830957713 QZAHIDBADLSYOP-RUZDIDTESA-N 498.584 0.852 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831316861 GBNKDOTYSLHQKI-WZONZLPQSA-N 492.598 0.275 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1831999959 FEGNKYATBOHCKI-NTKDMRAZSA-N 491.589 0.888 30 20 JCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)CC2)CC1 1833322581 PMKQDWUEAJRDIU-SFHVURJKSA-N 460.600 0.867 30 20 JCED CN(C)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1833364694 XRDMRHNAEUARPW-SKZKPWFZSA-N 455.515 0.930 30 20 JCED CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)CCC1=O 1833689525 YUWUIXLWWQLMOC-BUVRLJJBSA-N 456.547 0.878 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Cn4cncn4)C3)C2)c(O)n1 1833699945 IQIAFOSCEWZDMG-MHECFPHRSA-N 484.557 0.904 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833840290 LMXLNYHXIHAQJY-OPAMFIHVSA-N 478.550 0.355 30 20 JCED Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1833844380 LHKPYKGZORYERP-FQEVSTJZSA-N 489.330 0.833 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1nc[nH]c1[N+](=O)[O-] 1835098843 NMUFXFNWOBMKPQ-ZVHZXABRSA-N 460.539 0.975 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)N1CCN(C)CC1 1835102760 XLHHTCIRMRBOAY-BWKNWUBXSA-N 454.571 0.130 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835351915 FBBFBEKVCXXVLO-NWVWQQAFSA-N 494.589 0.755 30 20 JCED CC[S@@](=O)CCC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835654731 ACCDTNUBROIQFD-WJOKGBTCSA-N 453.653 0.999 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1835682714 SDJOTWBULBMEIE-XMMPIXPASA-N 466.542 0.982 30 20 JCED O=C(NC1CCN(C2CCN(C(=O)C#Cc3ccc(Cl)cc3)CC2)CC1)[C@@H](O)N1CCOCC1 1835759796 UTLVISWSRDGXTE-RUZDIDTESA-N 489.016 0.914 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2)C(F)(F)F 1836781157 MSKUKDXVFUKMKO-IBGZPJMESA-N 471.436 0.205 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c2cc(O)ccc2n1 1836826536 ICMKGGMOJGZDIA-QHCPKHFHSA-N 453.451 0.407 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn4cccnc24)CCO3)cc1 1836842821 BXKDPUUNJKAGLN-DEOSSOPVSA-N 460.494 0.914 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)no1 1837490868 DEMHWMQXMQGLHA-XMMPIXPASA-N 488.541 0.467 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1837531036 WHZPSWQUNPAQND-YNMPAXSUSA-N 498.540 0.866 30 20 JCED O=C1Cc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)ccc2N1 1837562716 DNAXHGQXJQNHOA-RCHKNJNJSA-N 466.494 0.963 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1837610440 RFTVBYUOUMHYOS-MBSDFSHPSA-N 457.531 0.245 30 20 JCED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CNCP(=O)(O)O)CC3)CC2)cc1 1837835387 BDOOTXXTRYAABO-UHFFFAOYSA-N 464.459 0.895 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838257381 LGSZEHLBXUUWDN-JVMMHGLMSA-N 450.927 0.672 30 20 JCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c([N+](=O)[O-])cc1O 1838601761 SYJCXUXICHUUKN-JOCHJYFZSA-N 485.453 0.893 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cnc[nH]4)C3)C2)c(C#N)c1 1839131514 IUEKWDHMZMNVIG-XMMPIXPASA-N 467.526 0.922 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)cco4)C3)C2)c(C#N)c1 1839131903 GZVYIQFMUYSPBZ-DEOSSOPVSA-N 467.478 0.833 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)OC(=O)OCC)C2)C1 1839176329 IGCNEPRVXRGUSR-IERDGZPVSA-N 456.492 0.514 30 20 JCED Cc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)c1F 1839487414 HQQKFLOGWOBIDI-HSZRJFAPSA-N 481.488 0.999 30 20 JCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1)C(F)(F)F 1839718651 GMJYMVGKFIEIRO-SFHVURJKSA-N 474.392 0.331 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1839779495 AMENYMONMJMKET-NFBKMPQASA-N 475.567 0.524 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840042748 MZASKEJNRGAXCJ-QZMQVMSPSA-N 497.520 0.126 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1840164388 HVVQBHVGJRHLAN-ONGXBYRLSA-N 473.592 0.133 30 20 JCED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840201216 KFLZVCRBWQNDRZ-AVRDEDQJSA-N 463.556 0.507 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1)c1ccc(O)cc1 1840222107 DNLTYFHMPQNPOC-NTKDMRAZSA-N 473.526 0.702 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840294877 RNSPTALLDOBZNU-OHUGHZGNSA-N 493.601 0.864 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840294905 SHXITTBMUXIQIO-DVECYGJZSA-N 481.590 0.912 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2cncn2)CCO3)c1 1840419712 OEXHQOQHORARBG-KSFYIVLOSA-N 454.487 0.490 30 20 JCED CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840567376 QICXJQZBBFKQPA-QHCPKHFHSA-N 454.531 0.845 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCO2)C1 1840887133 WWBAKBCNCWANHY-KSFYIVLOSA-N 463.462 0.771 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCC)C2)C1 1840909267 XQNYIKURZIYPFH-MBSDFSHPSA-N 467.563 0.786 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(=O)C2CC2)C1 1841306059 ZMXLHYSYVOUXAS-MRXNPFEDSA-N 478.546 0.974 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccs3)CC2)cc1 32766866 ZFWSESIIMVYAFR-UHFFFAOYSA-N 454.555 0.431 30 20 JCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 110255828 DAMNOKCWPACTHO-QGZVFWFLSA-N 464.544 0.439 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1=O 504704453 WOZHJSUFSOUAIX-UHFFFAOYSA-N 474.539 0.375 30 20 JCED CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCNS(C)(=O)=O)cc1 524281453 YCTATXAWKHWSPB-UHFFFAOYSA-N 499.618 0.531 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828262 LLONQJBDLPAOCM-UHFFFAOYSA-N 463.519 0.049 30 20 JCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726576897 CQKVYGDXLKNLCB-UHFFFAOYSA-N 471.564 0.067 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N(C)CCC#N 729481682 HLTRGFYKNVWADI-AWEZNQCLSA-N 467.504 0.777 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2COCCO2)c1 918456134 PGRSILUVAIIXGF-FVOSJULTSA-N 452.533 0.750 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCC 920393957 CGTYPZHNXBHRAB-UHFFFAOYSA-N 456.480 0.804 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1115861518 KYZFFHSRTJKUAL-UHFFFAOYSA-N 460.556 0.174 30 20 JCED C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1539766958 ZZEXPPJUPGYOJY-SFHVURJKSA-N 475.619 0.812 30 20 JCED C[S@](=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1555823655 WMWAUSVJLLJYJG-JUMZHAFNSA-N 470.621 0.652 30 20 JCED Cc1ccccc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1693267750 IHOPJVRGNQKIPS-OALUTQOASA-N 460.560 0.891 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCSC1 1723953215 PCUOZVQARWQSMJ-IERDGZPVSA-N 491.643 0.955 30 20 JCED CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)NC 1767634951 QPMXQJUAUACGOE-OAHLLOKOSA-N 450.521 0.534 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1778806582 IWNIXEKKNZEGLT-KSFYIVLOSA-N 479.582 0.277 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779394156 MYNCYICJXONWCJ-LHSJRXKWSA-N 476.490 0.678 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)C1 1780175635 CZHKNNMODIWOBI-DDMHIDIMSA-N 468.510 0.708 30 20 JCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)N1CCN(C)CC1 1781093788 AQOFUVOBFAYJIA-HOYKHHGWSA-N 457.550 0.706 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)CN2CCN(C)CC2)CCO3)c(C#N)c1 1781172202 APMZTJOFZDIEGS-XMMPIXPASA-N 455.559 0.187 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)Cc2cccnc2)CCO3)c(C#N)c1 1781172745 WFCUAHIGJFKNRI-DHLKQENFSA-N 463.538 0.904 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(=O)Nc2cccnc2)CCO3)c(C#N)c1 1781172907 JCSKZEVUBQFRTO-DEOSSOPVSA-N 463.494 0.973 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c(C#N)c1 1781177513 ZEWAVTWYXIKWSN-HSZRJFAPSA-N 467.482 0.514 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CSCN4C(=O)[C@@H]4CCC(=O)N4)C3)C2)cc1 1782873366 RMCMTBJZQBCHDP-XLNZFTOWSA-N 497.577 0.182 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782954410 UKMBTSKRKLDFBR-HOIFWPIMSA-N 485.603 0.863 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783443389 SDIRHJKEMHVBSH-CWBXHPNXSA-N 485.537 0.965 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21 1783530639 MZXNGKRVDCUBFB-BUKYEJPASA-N 467.570 0.222 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)NC(=O)OC(C)(C)C 1785305463 MCNOFAJMVVTONW-SAHWJRBASA-N 464.563 0.812 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)CN5C(=O)CSC5=S)C4)C3)c2c1 1785546691 JEXDAMWGLGFFLZ-OAQYLSRUSA-N 484.563 0.738 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1785574474 LBKXLLNIMVENMW-SZNDQCEHSA-N 476.490 0.678 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn(C)c3)[C@H]2C1 1786039117 AFZLPNFZJGXIBF-KANFNMMFSA-N 459.547 0.930 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786369588 HMWGATCDUGLWKP-JKQORVJESA-N 452.508 0.336 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786565284 INQXCNNZLFFTCL-VNYTWHDVSA-N 457.527 0.861 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NNC(=O)C4)[C@H]3C2)ccc1Br 1788557385 WKHFWPGNWNYWMY-JDFRZJQESA-N 474.315 0.790 30 20 JCED C[C@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1788725414 UIKSLKXZEKUCOD-CQEAQJRCSA-N 462.514 0.956 30 20 JCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1791266988 OORNVCUCMHJHAU-UITRFSOLSA-N 457.593 0.656 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791329684 AAIIVRNVDBKAEY-DQIRUUEWSA-N 479.574 0.376 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)OC)C[C@@H]21 1792255779 VFHWTUKOXHBDRY-FJIDUMEYSA-N 497.614 0.789 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1793368736 TYVQLXQYYAPIPZ-JFILPPLUSA-N 488.488 0.856 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(=O)n2O)c(O)n1 1794357515 JSZVZIHNMIUWSR-YVWYUNDQSA-N 454.483 0.822 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)C1 1795409773 PLBCLHJOJCQSMX-XEMDLRDOSA-N 452.511 0.661 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795893265 YZCTUXBSSIJJCF-AJYBTWMASA-N 474.562 0.565 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796307367 GNLZWIYJVKVDOH-PTIUUAQKSA-N 491.614 0.519 30 20 JCED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/C(=O)c2cccs2)c(=O)nc1O 1796448192 GAZWKQGHEWMGNE-QKBRYTTJSA-N 472.523 0.348 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cn4c(nc2=O)SCC4)C3)c1 1798860318 XQCQHRCIUBXSCK-OPVJXMOQSA-N 465.535 0.667 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799151304 PSQHNKDGKRKWAD-DTULOEDASA-N 457.571 0.676 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1799232348 AFNWROZYSPPHNQ-AJYBTWMASA-N 474.562 0.565 30 20 JCED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2)C(=O)C(=O)O 1800263434 ZXIIPVTYIXBEIN-XOIINTDNSA-N 482.415 0.323 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1800766981 ZPXOHKJIWLWSIT-BVTLZKPXSA-N 467.522 0.995 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)C2 1800999164 DGTFZMPFPOMDGW-JLVBRIDZSA-N 460.535 0.808 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C(=O)OCC)CC1 1801990923 ANRAVOCSASORLH-OPVJXMOQSA-N 465.547 0.954 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1803571190 PTGOJDKNRQLMGG-KPFFTGBYSA-N 455.515 0.949 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807142197 CXVWMKIALHVUPB-NZSAHSFTSA-N 478.619 0.697 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c(C#N)c1 1808178325 DCUZGYHZDRUUFZ-HFZDXXHNSA-N 495.580 0.497 30 20 JCED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)cc1 1811367404 MHBXPGKVTYGYRD-ISKFKSNPSA-N 465.554 0.754 30 20 JCED CN(CC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3ccc(C#N)cc23)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812392870 ZEWXBPUOCFKUHH-HRAATJIYSA-N 489.492 0.692 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccncc1=O)CC2 1819907524 PRHSBQBHQVDFIN-ISUHZXHZSA-N 460.516 0.841 30 20 JCED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@@H](NC(=O)CNCP(=O)(O)O)CC2 1819948049 NFPMECDWVKJBLU-TUVHXFJTSA-N 455.433 0.492 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1826896692 ULBIGEDOKOOUSG-FQEVSTJZSA-N 451.612 0.175 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1828204167 SILUNTALXWRRBT-BDJLRTHQSA-N 494.526 0.600 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCN2C(=O)OCc1ccccc1 1828628998 NHHLFTRISGASDU-RUZDIDTESA-N 495.536 0.404 30 20 JCED C[C@H](NC=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1 1828921460 WGEZLMFSXZUDQB-MHECFPHRSA-N 467.526 0.877 30 20 JCED CN[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCN2C(=O)OCc2ccccc2)C1)C(=O)O 1828923030 MBDBYIOFJJHOGO-DVECYGJZSA-N 485.541 0.805 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cnc[nH]1)CCN2C(=O)OCc1ccccc1 1829044146 IIVLHIVZWKPAKP-DEOSSOPVSA-N 479.493 0.492 30 20 JCED CC[C@@H](NC)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332498 OGHUGLMERYEBFL-DVECYGJZSA-N 470.526 0.525 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056591 GZHWLPKTKXVBFJ-AOMKIAJQSA-N 468.551 0.532 30 20 JCED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831202454 RAEAXKNOHFDYSC-XMMPIXPASA-N 482.541 0.811 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1831393351 KGMUCLGNAHJFJP-HJPURHCSSA-N 456.499 0.075 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C2)C1 1831419868 RAEOHZDQUVLYMQ-WVMBUTMQSA-N 495.573 0.612 30 20 JCED CC(C)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1832411976 GXKYXCKTNDOOOW-XMMPIXPASA-N 463.623 0.845 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccnc4c3OCO4)CC2)CC1 1833075218 WFZPMLVXGJWDBF-ARJAWSKDSA-N 469.542 0.854 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(Br)cn3)CCO2)C1 1833107103 XKGLZESRMRGYAM-IIBYNOLFSA-N 480.359 0.881 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)C4=NNC(=O)C4)CC3)CC2)c1 1833235936 KCCGCEQFPHTGLB-UHFFFAOYSA-N 450.543 0.938 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 1833473032 HHKHIAXNOSGSGT-SFHVURJKSA-N 457.575 0.974 30 20 JCED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cccc1=O 1833875959 UCIVVPLPKJWTFG-XMMPIXPASA-N 466.494 0.406 30 20 JCED N#CCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CC2)CC1 1834398198 YBLJLWUYKPQUFF-UHFFFAOYSA-N 467.574 0.507 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835357366 VHKJZCYOJAIRSJ-HTAPYJJXSA-N 466.535 0.382 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835435915 WURQSXNUDNFCKT-KOSHJBKYSA-N 494.589 0.228 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835492058 SUXLOOVYHMTGIA-WEHRJKGCSA-N 480.525 0.196 30 20 JCED COc1ccc(COCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835682724 SHTQOYMPXKMBTJ-VWLOTQADSA-N 488.585 0.950 30 20 JCED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835739010 MGMNWQBZAGIADJ-HUXSYLCKSA-N 482.651 0.571 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835795834 APZPRRWJULONFB-INIZCTEOSA-N 478.557 0.680 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cncn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1836139513 NOLBJLMQPYHJAJ-FDDCHVKYSA-N 490.561 0.300 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1836375101 VDMYKZYTTVHZGH-PMACEKPBSA-N 464.655 0.995 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1837396442 GXHAEGDOGABFCW-NTKDMRAZSA-N 469.542 0.910 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441961 JYSYTWOORXAXBP-HQGJICSSSA-N 458.563 0.810 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837444003 WDRRSDRCABAOAU-VCOZGABYSA-N 462.551 0.071 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1837643091 HCCOXDJWDQWNFZ-JLBQXTRVSA-N 473.555 0.871 30 20 JCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1C 1838275722 LUXKBFBZMMCGBK-MBIGCVILSA-N 463.535 0.582 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1838604550 QSVKASJJBAKULO-WAIKUNEKSA-N 487.513 0.340 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)CCO3)C2)CCC1 1838604906 JKYLPVADJDLVPL-HSZRJFAPSA-N 482.497 0.442 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838654266 UIGWEUJGPUNUNI-KOSHJBKYSA-N 488.541 0.774 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(-c4ccccc4)n3)CCO2)C1 1838743022 XTWZJNJUCXIDET-NTKDMRAZSA-N 452.511 0.981 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838758429 PGOHKFMKTQENRM-KKSFZXQISA-N 450.540 0.904 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838795624 AWCQYBDCQKAEJI-BEQIRNJDSA-N 498.540 0.866 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(C)=O)c1ccc(F)cc1)CCO2 1839039232 ZXKRHPWIXWNPBH-JKHABCDFSA-N 475.517 0.498 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839082780 PVXRIOQJVVBVHM-SDUPKCGQSA-N 475.590 0.316 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)N1CCN(C)CC1 1839101430 KHIOOKLEKSXDNR-OFVILXPXSA-N 454.571 0.130 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1839130863 YGYYMSGEECGMHB-XZWCOCNFSA-N 493.601 0.911 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1839176270 FSPCZDKHAJNPMP-HSZRJFAPSA-N 486.562 0.022 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)cc1 1839361508 OZCMRHJEVNASBQ-JOCHJYFZSA-N 468.470 0.628 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](N)Cc5cccnc5)C4)C3)c2c1 1839487949 NIXKVOFCJIFUAN-NBGIEHNGSA-N 489.536 0.470 30 20 JCED Cn1cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)ccc2n1 1839504373 AZBLIZKMTISPHS-XMMPIXPASA-N 468.558 0.925 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C1)C2 1839738745 GDXKHWBZVDRZNF-PONJGIIJSA-N 480.587 0.397 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1839889497 XLECQQISFFBGIB-LJQANCHMSA-N 456.446 0.381 30 20 JCED Cc1onc(-c2ccccc2)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041553 UCSOALMKTPNJLL-HSZRJFAPSA-N 453.451 0.808 30 20 JCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)C1 1840147529 WUWXOFILYMCZHY-RLQCNVNWSA-N 495.573 0.951 30 20 JCED COc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)ccc1[N+](=O)[O-] 1840163726 XQNGIAGEKCOGLH-VLIAUNLRSA-N 453.517 0.921 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1)c1ccc(O)cc1 1840219594 TWTWWWQWNITLPF-RXFWQSSRSA-N 496.564 0.954 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1840795350 DGSFNSAYJURALW-KDLAUNOPSA-N 496.605 0.827 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820177 CWSQUVAGVZYBLA-DEOSSOPVSA-N 471.510 0.903 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C)C2)C1 1840912516 KKAKFNHWMVOGRD-DQMJNTIXSA-N 480.606 0.864 30 20 JCED CN[C@H](CC(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C(=O)O 1842953087 LMUIDDRRIMHLST-UKRRQHHQSA-N 472.608 0.854 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844284306 NEBHFMLUVHALPC-KRWDZBQOSA-N 476.574 0.657 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1845130648 QWUIXUGKLICPND-HNNXBMFYSA-N 498.544 0.326 30 20 JCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@H]1CCS(=O)(=O)C13CN(C(=O)OC(C)(C)C)C3)C2 1846370943 RPTINHFUYHHGAK-LSDHHAIUSA-N 487.644 0.932 30 20 JCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 22393423 MLGYFDDSSNSMAX-OAHLLOKOSA-N 450.268 0.847 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 506968424 KNVJAUCIFAAGLO-HUUCEWRRSA-N 473.511 0.490 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(Cn4cncn4)cc3)CC2)cc1 516010796 DDTSBCIXXBDWAM-UHFFFAOYSA-N 479.522 0.670 30 20 JCED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)oc1C 523258223 BSZBHQHGHSJEKW-UHFFFAOYSA-N 494.529 0.714 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Cl)cc(Cl)c3)c(=O)n2CC(N)=O)CC1 608911126 LKISKZXKJIRZBH-UHFFFAOYSA-N 494.404 0.369 30 20 JCED N#CC(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726576907 DDSODDXCESSCNM-UHFFFAOYSA-N 458.471 0.910 30 20 JCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCN(Cc2ccccc2)CC1 749616446 MWNGAPYSZKKHLF-UHFFFAOYSA-N 483.594 0.966 30 20 JCED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 769805362 XQXQXLAZXRGCHV-CQSZACIVSA-N 494.551 0.657 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3OC(F)F)c(=O)n2CCOC)CC1 916200060 STYJOXFVKBCRHQ-UHFFFAOYSA-N 492.548 0.825 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)n(C)c1=O 916846869 HBBHJKIANLPBPV-LLVKDONJSA-N 465.495 0.899 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)c1 918260170 GCXUIFCFOMWZPJ-NLRVBDNBSA-N 472.527 0.379 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O 1286541769 LZZVSVBSLHPJLF-LBPRGKRZSA-N 486.414 0.000 30 20 JCED CCCNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1313481056 JGOMPXGXKHQTIZ-QGZVFWFLSA-N 468.566 0.386 30 20 JCED NC(=O)c1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 1338636397 JYUFEOIEZAIAJB-HUUCEWRRSA-N 450.542 0.573 30 20 JCED CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)c1 1465237639 ZJDALMGJRDDQGA-UHFFFAOYSA-N 454.508 0.676 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCC(=O)N3CCOCC3)CC2)c1C#N 1492728176 VSMUHHDROTUJKJ-UHFFFAOYSA-N 469.594 0.966 30 20 JCED C[C@@H]1COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1494605354 WBWTURSGGIKQSB-IEBWSBKVSA-N 481.623 0.462 30 20 JCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1499142039 UYEOVINXWMZYQV-INIZCTEOSA-N 461.596 0.362 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1507785414 OAMMIIJKJLKLDR-OLZOCXBDSA-N 478.369 0.519 30 20 JCED CC[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1516869376 IFBODGITHYILKB-OKXSDPAFSA-N 480.616 0.888 30 20 JCED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1517029478 QJOSNRWKPQONHI-KRWDZBQOSA-N 482.588 0.243 30 20 JCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1652850683 JIYJAKVXSJNNTG-LNLFQRSKSA-N 450.561 0.418 30 20 JCED CC(=O)N1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1690867858 JLOASQAGQQUTSI-FQEVSTJZSA-N 450.547 0.901 30 20 JCED Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)c(=O)n1C 1693107998 KVGDLMSSJGSBGU-UHFFFAOYSA-N 485.570 0.770 30 20 JCED C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1706901999 NAJLZWLSQOBASO-WFXMLNOXSA-N 494.549 0.387 30 20 JCED CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1728766268 PERNCDAOYFDDHS-FGZHOGPDSA-N 475.571 0.988 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729745780 FXCDOBRSUXOPOM-QGZVFWFLSA-N 475.575 0.591 30 20 JCED CC(C)C(=O)NCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1741296498 WANKHNNMUSZINO-SFHVURJKSA-N 453.551 0.953 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCS(C)(=O)=O 1761234505 RUXBDHLFUHCWAC-UHFFFAOYSA-N 460.564 0.444 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC2CC2)C1 1771361769 PFGQDOWSZIHRDZ-QGZVFWFLSA-N 465.580 0.267 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1778967283 JZRZIOHCTVSDSB-YKSBVNFPSA-N 458.559 0.935 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014816 JZVWUWFQHBVUBU-MDVGKTGMSA-N 481.594 0.564 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1779099838 NNUIXVGKPLNFAL-VWWOZPNVSA-N 469.388 0.701 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171165 KMSDBCMESQJHMQ-OPAMFIHVSA-N 478.571 0.267 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781294511 MHWAUNHQEASHIV-YADARESESA-N 490.532 0.955 30 20 JCED C[C@@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782873832 AYJYMBRISVEBAX-CLJLJLNGSA-N 492.532 0.318 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1)c1ccc(O)cc1 1785354467 LECGGBZZFRCTRS-RXFWQSSRSA-N 494.548 0.990 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CCO2 1785427049 LHVSJPMXFLMPBN-ZHRRBRCNSA-N 451.520 0.686 30 20 JCED CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)nc1 1785711033 XPEXFNSGNUHXDG-QOKNQOGYSA-N 457.512 0.592 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)CCOC1 1786698515 RHJBJTDNYPLAJY-CFLDLGCGSA-N 462.547 0.954 30 20 JCED Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)no1 1788669689 JHLSGCMICGAMGU-HPVHJZNYSA-N 477.518 0.222 30 20 JCED CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21)C(=O)C(=O)O 1790636171 ANVQVRMIYKJTCG-ZKORBPAESA-N 463.512 0.010 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NO[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]21 1790793472 JEMKUAYWBIUBMG-YQNCCBLMSA-N 460.531 0.755 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]3C2)c1 1791314032 HVQFMDKNNQZKFI-NOLJZWGESA-N 456.396 0.969 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)[C@H]2C1 1792255544 OAYXHDDIGLFCLF-DEPCRRQNSA-N 461.559 0.921 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3nnc(C)o3)C[C@@H]21 1792257468 FWVWIZJRWJHVGC-XSLAGTTESA-N 475.546 0.817 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]21 1792258759 PVNMRLNRCBSKEB-WRNCNIFXSA-N 464.563 0.407 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)cc1 1793009892 IDSXTDVGHIQAIH-GNBUJSLZSA-N 474.583 0.945 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)C2 1793358257 ZQSZRTIMMKPUAE-IVDSKFSHSA-N 490.645 0.890 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793943347 HZDHVEXMKBUHDU-WXQHOCMDSA-N 493.561 0.034 30 20 JCED COCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1795204240 UGUAPAGMXJIYRG-ALXJQNPVSA-N 450.536 0.763 30 20 JCED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)C2)C(=O)O 1795645093 BIWGEOMGWFFFSI-NYUBLWNDSA-N 458.515 0.611 30 20 JCED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCCC#C[Si](C)(C)C)CC1 1797729724 FCFLOLSPHBGSIJ-RUMRUAAYSA-N 476.694 0.791 30 20 JCED COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cn1 1797811441 NQRXFLRCCRWGLS-TUFSQHOOSA-N 460.487 0.600 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)c(C#N)c1 1799240027 ZTZKDQSVPRGKMF-FEJSZKPUSA-N 495.492 0.469 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1800598030 YEAINDQBVDPDSF-PYCFVTFTSA-N 454.524 0.997 30 20 JCED COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](S)C(C)C)C2 1800848238 ZYNFQPNCRNNPOE-HNJRGHQBSA-N 462.609 0.227 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801051630 QRNOLFPVJRJDID-HGRWERBWSA-N 471.620 0.902 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccnn2)C3)N(C(=O)OC(C)(C)C)C1 1801103972 RCZRIPCWBOJYJV-ZMMAXQRCSA-N 460.535 0.433 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2)NC(=O)OC(C)(C)C 1801931123 GUBAKAOGOUMFIS-AXVVYFOYSA-N 478.594 0.275 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1801995642 FPFQMOPPRYIWMS-MKOTWABBSA-N 478.505 0.992 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)c2ccco2)[C@H]1c1cccnc1 1802481428 JJJAZZRSPUQIDK-QDFBPKLPSA-N 465.510 0.969 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)C1 1804856273 ZVTVQOJBGMOKCX-SREVYHEPSA-N 464.526 0.793 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)[C@@H]3c3cccnc3)c2c1 1812069135 QINSHFFSVOOBSD-KSFYIVLOSA-N 486.492 0.701 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330372 RTEZCMORYQXHDY-IINYFYTJSA-N 457.516 0.673 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)COCCO)CC2 1828287127 XEKJBQZGCJOPQH-UKRRQHHQSA-N 466.560 0.981 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCN2C(=O)OCc2ccccc2)C1 1828593294 AQEKPXOHBSWFGJ-UNVFRBQDSA-N 498.580 0.988 30 20 JCED CC(C)NCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828996550 CYNNJQUQZOLFAJ-VWLOTQADSA-N 484.553 0.915 30 20 JCED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCN2C(=O)OCc1ccccc1 1829167257 SLJPZUPNYIPWAH-XMMPIXPASA-N 491.508 0.555 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCN2C(=O)OCc1ccccc1 1829408198 WSNSJJKDKNZXCQ-DVECYGJZSA-N 469.494 0.563 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cccc(C)n3)C2)C1 1829762250 AWAAZPOFTAUMIW-VTWFOPJWSA-N 454.527 0.718 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)c(C)c3)C2)C1 1829762964 VDYUUKDHTDGLER-CNXHMKESSA-N 471.554 0.861 30 20 JCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1831213711 UIIVQTRGGPOUSQ-OZXSUGGESA-N 467.566 0.757 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 1831401470 CIYFHPQWNQVCSL-AOMKIAJQSA-N 463.462 0.771 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1831998690 QUHPISCANMVNRX-OYHNWAKOSA-N 479.534 0.655 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833599584 OAWUXOSQCLSZTQ-LJQANCHMSA-N 473.498 0.767 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)c(O)n1 1834381701 JQLIXHRZQDVPBE-HSZRJFAPSA-N 455.515 0.873 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(F)cc1)CCO2 1834958497 CRHCWFNSXKPJLP-XBKFQHLESA-N 461.490 0.519 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)ccc21 1835342419 ZIIPBMVZTRGSMY-HSZRJFAPSA-N 453.499 0.251 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CC1CCOCC1)CCO2 1835422322 VMGPTCOMZWZGIV-UZBYXMDDSA-N 453.536 0.789 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1835673873 ABZSRKMCLRCWNF-QHCPKHFHSA-N 459.547 0.905 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1835673984 CIEKNFDYWDZXHF-HXUWFJFHSA-N 484.479 0.847 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4nccnc4C(N)=O)CC3)CC2)cc1 1836050440 WOLBDOGQJKDEKX-UHFFFAOYSA-N 461.526 0.946 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836141352 LBSBIBROBJCNBM-NLSFWIRASA-N 490.561 0.204 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836971572 AUCDVLIQRYOJHG-JOCHJYFZSA-N 462.503 0.245 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1837077563 FWSBIAHZWXXGND-OAHLLOKOSA-N 451.524 0.338 30 20 JCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529703 BXFSUZYQNNWLJU-RIJOMMHVSA-N 498.577 0.885 30 20 JCED O=C(CCc1ccc(O)nn1)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837565404 VMFQFWSHBLELOL-YVABFXQFSA-N 457.487 0.283 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c1 1838583414 AZXWCYUGBLFHHI-JOCHJYFZSA-N 454.487 0.319 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1839174058 CNBNUOHCQHXJME-NRFANRHFSA-N 450.492 0.008 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187193 OULONXRZOCZVFK-QMHKHESXSA-N 475.521 0.404 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CCOC1 1839191846 PFXFOJBCYPBSEZ-XZOQPEGZSA-N 478.546 0.430 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)c1 1839420626 UQMWECFUCAOFLK-LJQANCHMSA-N 455.389 0.877 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-])CCO2 1839461897 BZPXJQQWPSAWIV-QFIPXVFZSA-N 459.455 0.865 30 20 JCED Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn1 1839487884 KDNMYUXRKYXLLH-XMMPIXPASA-N 477.525 0.871 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)CCO2)C1 1839726909 NJDXXDDJUHHSOK-NANGSVCXSA-N 487.597 0.669 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC(F)(F)CO3)C2)C1 1839810007 YGQPQPGZQUKSLK-IIBYNOLFSA-N 487.500 0.347 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13C[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1840008869 OOMPJHAZQKMIQG-ZSVMJGIMSA-N 491.585 0.738 30 20 JCED CCS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840164778 QDXOBSSKVLYPPP-HRAATJIYSA-N 470.613 0.797 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1840908813 HYVZWIQAPNMCKU-IXFSTUDKSA-N 465.547 0.538 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840945157 IVQDKJKINLCWRE-VGOFRKELSA-N 485.553 0.993 30 20 JCED O=C1CN(c2cccc(C(=O)N3CCCC34CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)n2)CCCN1 1842305055 GESCWYWKLUVWFE-RVWJGDDESA-N 484.557 0.754 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845104167 YBZYBUNWUDGLJD-PMKBXARWSA-N 462.547 0.276 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845106684 BQUGHOFPUYACGL-IKGGRYGDSA-N 451.564 0.991 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O)NC(=O)OC(C)(C)C 1848128391 IQGTWYZAXZQWRM-VGWMRTNUSA-N 463.535 0.646 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCc3cc(=O)n(C)c(=O)n3C)nnc12 11203536 XVCZPJAUCJNHRA-UHFFFAOYSA-N 468.495 0.463 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C1CCN(C)CC1 517984182 RTRPRVOXISPCON-UHFFFAOYSA-N 468.579 0.977 30 20 JCED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CCN(C)CC3)c2=O)oc1C 517990337 WVXDYJZAINSVQP-UHFFFAOYSA-N 472.567 0.892 30 20 JCED CSc1nc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1C#N 561386311 FLVNKJPJDBLXCD-UHFFFAOYSA-N 489.535 0.858 30 20 JCED CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)S(=O)(=O)c1ccc(C#N)cc1 603446228 HXWQCLFAILAAJT-UHFFFAOYSA-N 494.551 0.544 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)cc(C)c3)c(=O)n2CC(=O)N(C)C)CC1 604472848 JPYGWUAKWPEKMR-UHFFFAOYSA-N 481.622 0.282 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828601 CQRQHDMBLBBHMP-UHFFFAOYSA-N 482.587 0.471 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 608828715 JEYVEJXCGBITPP-HNNXBMFYSA-N 492.557 0.661 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)N3C(=O)NC4(CCCC4)C3=O)CC2)o1 726649409 GWIMTYRTFJJMPK-CYBMUJFWSA-N 458.475 0.300 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCS(C)(=O)=O 729672954 AFUJRWHUOAPVGG-UHFFFAOYSA-N 451.545 0.369 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCS(C)(=O)=O 729673411 NWPSNFIXFBYILS-UHFFFAOYSA-N 483.518 0.361 30 20 JCED CC(=O)N1CCC(NC(=O)COC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 897786755 YGZKMIPABRFRKX-GOSISDBHSA-N 478.571 0.810 30 20 JCED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 915777839 OVJWRZMJNFOENF-UHFFFAOYSA-N 459.532 0.436 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCOCC1 1286971208 ZUXVEQFPDIYELB-IAGOWNOFSA-N 469.612 0.318 30 20 JCED CCOc1ccccc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1296841882 RLVSGSVJHQRIHU-QUCCMNQESA-N 490.586 0.981 30 20 JCED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1299317255 MYRVLLDVOWLFTF-UHFFFAOYSA-N 487.586 0.869 30 20 JCED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1501217873 JHACPXBDUHBKKN-UHFFFAOYSA-N 494.600 0.999 30 20 JCED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1503372263 SVVUDWBLEMBELX-UHFFFAOYSA-N 450.547 0.649 30 20 JCED COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2cc[nH]n2)cc1 1504231917 ZLXKRVRYJINJMS-SFHVURJKSA-N 450.503 0.954 30 20 JCED C[C@@H]1CN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCCO1 1545094763 ZMHNRXXQDVPZOM-BRWVUGGUSA-N 455.585 0.118 30 20 JCED CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1555800781 IPUDTQCHZDBGEB-KRWDZBQOSA-N 479.584 0.929 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1619552105 SJTPRFQDLUHWBE-SFHVURJKSA-N 488.570 0.458 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1692848803 WIDOAKGTYHBCET-HZPDHXFCSA-N 486.620 0.176 30 20 JCED CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCN1CCOC 1694934788 QGZBAHZUERNONX-LJQANCHMSA-N 461.592 0.913 30 20 JCED CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1706690029 XNWRPNBBNCHEIK-SIKLNZKXSA-N 475.571 0.997 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1711049472 IKHKJKLJOGXCTE-UHFFFAOYSA-N 467.530 0.361 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1712107163 OEPHYRFEUIPXEX-UHFFFAOYSA-N 455.519 0.502 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(C2CC2)C1 1723779337 LNEVPEINAGGHLM-JFIYKMOQSA-N 451.597 0.834 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOCC1(C)C 1723781310 YOLNYOYRNVSDRD-IRXDYDNUSA-N 469.612 0.460 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1778117859 XDAGEOAJGDSCJO-OYGDCGAPSA-N 486.591 0.017 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778945167 MJOXTURQGHTGQW-KHIBUBOWSA-N 461.519 0.162 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779320454 WSLUGDJAOGNOHG-PNCHPQGNSA-N 482.578 0.437 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1783171468 WOBOZJZQGVZOGP-YHEJKZAPSA-N 452.552 0.810 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1784014369 YNEIBLJIXOJHNY-VWPLMULRSA-N 493.605 0.660 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1784041468 JSZDPFLGBRDHHS-YGKZAACZSA-N 464.563 0.812 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784519526 WXJUYPJVBPLCKI-NMRDKZCGSA-N 459.565 0.176 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1785572537 OHACXEDVTYXTHS-MHECFPHRSA-N 478.590 0.895 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)N(C)C(C)=O)CCO2 1785574823 TZBAHRGFJTXMJB-CEXJFXJFSA-N 464.563 0.600 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786367400 KGDWLOLEPIJEQB-JCECYMMASA-N 450.536 0.498 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC)NC(=O)OC(C)(C)C)[C@H]2C1 1787469765 AIOHMJTYPJTMJL-VMXHOPILSA-N 467.563 0.544 30 20 JCED CC(C)(C)OC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1790991615 ZKEKGWOKIXBYCP-ULQDDVLXSA-N 451.568 0.773 30 20 JCED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078317 VHYTZDVKYXMKQJ-LEAZDLGRSA-N 471.510 0.617 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cncnc3)C[C@@H]21 1792261255 FCMRNBZJHXLXLV-MUGJNUQGSA-N 471.558 0.915 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(I)cnn1C)C2 1793343166 NLZIMOSDXPQLCW-XPCVCDNBSA-N 486.310 0.266 30 20 JCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2 1793353965 JFXLMSSTALKTNW-HUUJSLGLSA-N 499.605 0.725 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 1793603904 IWHCBETXALSBBG-QTMHVTGLSA-N 465.547 0.250 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(C(=O)O)ncn3)c2c1 1794368221 GRZXFNMBRNTUCY-IVWMJMPLSA-N 461.438 0.440 30 20 JCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794403598 STZUCBXMZGOPRC-CCWDJLKJSA-N 453.586 0.749 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)N2CCN(C)CC2)C3)c(O)n1 1794492018 QITZPBSVOXWWDG-VWNVYAMZSA-N 471.602 0.745 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)n(C)c(=O)n2C 1796982941 SRGWDEZCBFAENA-WOUAJJJCSA-N 456.543 0.653 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1797587858 PVEYYVPOUUQXAC-CXHZTBPHSA-N 495.330 0.588 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1)NC(=O)OC(C)(C)C 1797626666 CNADHMRBRSPSED-QOIOWGMHSA-N 491.593 0.769 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1797780566 CGOQVSWLAPONFM-NHKMSHSESA-N 493.560 0.961 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1nc(N)n[nH]1 1798310383 WCLWWSTYAREQEE-FZKCQIBNSA-N 459.551 0.874 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799085972 MAMHIABJMWDCEM-VQQMMKBISA-N 496.568 0.778 30 20 JCED CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(CC#N)cc3)CC2)CC1 1799643743 YILNQTWKWPFCGP-KOUNCHBCSA-N 451.571 0.736 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799751915 INHMMDOFNKBLDB-VLWCASSMSA-N 450.879 0.479 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(n2ccnc2)CCN(C(=O)OC(C)(C)C)C1 1800330915 YFFYFCJWVSNHNT-ZQYRFBGISA-N 457.531 0.442 30 20 JCED CC(C)(C)OC(=O)N1[C@@H]2C[C@H](F)[C@H](C2)[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778832 IELAOGDMCGFTLE-WGBDHRSASA-N 479.505 0.400 30 20 JCED CCn1c(-n2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](C)S)cc2C)cccc1=O 1800985893 PSKIBJACDUDTAR-MFCZKXCZSA-N 459.572 0.884 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1802088171 VNOWINPOYJTQPP-RMEBNNNOSA-N 459.565 0.351 30 20 JCED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804192279 LRAWAVFMTQNEBN-HOJAQTOUSA-N 468.645 0.772 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1810357958 XAAMYWPEBRDNBV-OLTRMPHFSA-N 494.512 0.661 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812721000 VICHEOLROCNTNH-PXDATVDWSA-N 481.553 0.325 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817814613 MRVHGKMIUSGYMN-AWEZNQCLSA-N 467.494 0.123 30 20 JCED NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1821037108 XCUGFTDADJRVAG-ZFILKEQLSA-N 456.532 0.730 30 20 JCED C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)sc2C1 1821151204 JKDGWROSNBNGKZ-LBPRGKRZSA-N 482.547 0.980 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1823744211 QCFGAYMTSUCPTC-TUYSUELWSA-N 456.480 0.189 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824536395 NBWPWUBYSHSSII-UERFZAEFSA-N 460.516 0.841 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670460 IFUYCEXEGHFJLS-DGCLKSJQSA-N 466.516 0.419 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCN2C(=O)OCc2ccccc2)C1 1829121239 NMWOIAKJZZXPKU-AVRWGWEMSA-N 495.536 0.353 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)[C@H]4CNC(=O)C4)CCN3C(=O)OCc3ccccc3)C2)CC1 1829310040 OYKPZZNSEIGCFK-CLOONOSVSA-N 479.537 0.878 30 20 JCED Cn1c(=O)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)nc2ccccc21 1830056684 MWEYFAUJGZSFDE-QHCPKHFHSA-N 453.499 0.553 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830761313 GGHDSETXSVRZHM-YKSBVNFPSA-N 456.543 0.878 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831012540 DJZKWHCDPFPLNS-UZUQRXQVSA-N 496.561 0.364 30 20 JCED C[C@H]1Oc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2NC1=O 1831218407 SCXFPYMRZYJICC-GYCJOSAFSA-N 453.495 0.889 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1831425875 GHSYIVVBIHIEDL-XVXCJXIKSA-N 461.515 0.500 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-n3c(O)nnc3O)cc2)CC1 1831670039 XPJNTUMPUXASGC-GOSISDBHSA-N 467.482 1.000 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832676032 GNSSAVCNUYLCOP-DEOSSOPVSA-N 457.527 0.615 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc4sccc4c3=O)CCO2)C1 1832896947 ZXMLZLXETLAJDF-XOBRGWDASA-N 451.570 0.838 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1833607441 NUPHEVCJBIMSFE-OPAMFIHVSA-N 464.519 0.823 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(=S)NC)C3)C2)c(O)n1 1833699973 JYHOBZNYNNTNHD-QHCPKHFHSA-N 491.614 0.460 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2 1835207669 GOTDEIHIRIAWBB-XBKFQHLESA-N 480.562 0.168 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835430202 ZXFWCZNXQKMUKM-APWZRJJASA-N 494.564 0.994 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835668539 VNEPKAJGFZEZRH-UHFFFAOYSA-N 461.567 0.401 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1835677750 NVLPRFPEYYQVEP-QFIPXVFZSA-N 489.964 0.735 30 20 JCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1835732618 OZNFDQLLPFJPFM-YYTOJMEDSA-N 467.636 0.607 30 20 JCED CN1CCN(CCC(=O)N2CCC(N3CCC(NC(=O)C#CC4(O)CCCCC4)CC3)CC2)CC1 1835750268 PIEBQWKPRZNOTP-UHFFFAOYSA-N 487.689 0.894 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835973772 SDQXCKKWTBXTQF-NGVCGSFOSA-N 469.926 0.522 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(NC(=O)OCc3ccccc3)CC1)CCO2 1836689339 UQRXFIZBOXSUEA-CJFMBICVSA-N 499.564 0.940 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837201045 DVTYKHCDARNLFT-NFBKMPQASA-N 474.514 0.012 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1837565046 KEMBGSTVHJAJDU-FXEGWKDQSA-N 479.537 0.921 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1ccccc1=O 1837684286 PGEIFUNFQNZAFF-JPYJTQIMSA-N 459.547 0.148 30 20 JCED CCNC(=S)NCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838404807 WQCYCTCLNJDOGH-NSRYLYFRSA-N 483.635 0.998 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838439405 PPJYBUAAWIXQTR-MHECFPHRSA-N 472.542 0.922 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595709 ZAKAKPGQGGRKBB-YCRPNKLZSA-N 498.989 0.609 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)CC1 1838906938 NVHVUPQLNWJOJD-QHCPKHFHSA-N 490.582 0.300 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1839176587 XEENVCNHQNOWLZ-JOCHJYFZSA-N 462.503 0.081 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839226114 FJKCYFXTYWRXCS-HTAPYJJXSA-N 458.519 0.529 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c1 1839419752 TVERVJXCTGDDJP-QHCPKHFHSA-N 470.457 0.082 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc([N+](=O)[O-])c1OC 1839472019 XHUYYOHVERXGPD-OAQYLSRUSA-N 462.459 0.986 30 20 JCED O=C1Cc2cccc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5(O)CCCCC5)C4)C3)c2N1 1839573442 GHMXIGMBZSMSRG-SANMLTNESA-N 481.549 0.950 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)OC(C)(C)C)CCO2 1839986399 OESHZWRLXKOMMI-JOCHJYFZSA-N 455.552 0.950 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839987880 KBABDUXLBJQHQE-XMMPIXPASA-N 479.574 0.666 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CCO2 1840003012 PHDZSWAAXNBMGE-PKTZIBPZSA-N 476.530 0.232 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1840820503 SYRVXSXJQYYGMO-IPVFLDMMSA-N 496.564 0.794 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840901310 DUHDGRQNIOXZNZ-MTJZSOEXSA-N 485.585 0.733 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)cc1C#N 1841895279 MGICJZAILGHARH-UHFFFAOYSA-N 474.583 0.893 30 20 JCED O=C(Cc1cn2c(nc1=O)SCC2)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283212 CNHFYCVFIYMFIQ-UHFFFAOYSA-N 456.568 0.794 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1847084244 MRZKDHCILJSKKF-IQMFZBJNSA-N 458.515 0.584 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1847262373 WDXQDFRGFWJNCO-IIAQQRLMSA-N 461.482 0.245 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1848243724 WCKIWNOBJPTCOS-SQNIBIBYSA-N 456.499 0.807 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2Cl)c1=O 523476808 OAHJLZIJWMWLME-UHFFFAOYSA-N 491.013 0.551 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CCNS(C)(=O)=O 608912156 GLZGFHHGNQSRFJ-UHFFFAOYSA-N 492.623 0.277 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccco3)c2=O)cc1F 609408157 IDSZHXYHIYNFPI-UHFFFAOYSA-N 482.537 0.891 30 20 JCED CS(=O)(=O)c1ccc(C(N)=NOCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 726788724 YIZKBICHWZZWOU-UHFFFAOYSA-N 496.567 0.387 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)nc1 727164558 PYWROJSAMYCRFW-UHFFFAOYSA-N 458.931 0.337 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 728534830 WADIVPUCOBTCBS-UHFFFAOYSA-N 460.600 0.687 30 20 JCED COc1cccc([C@@H](C#N)NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1OC 729428216 AYJDQYSAWWFZOL-QGZVFWFLSA-N 458.496 0.819 30 20 JCED Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(CCC#N)CCC#N)CC2)cn1C 748550649 XSFQGGBZBXSJNS-UHFFFAOYSA-N 450.521 0.328 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(C)cc(C)c1 839187903 ZAZGMEMQXIIARZ-UHFFFAOYSA-N 451.552 0.905 30 20 JCED COc1ccc([C@@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)N2CCOCC2)cc1 862609709 XSIJFVYSHZHOEJ-LJQANCHMSA-N 458.540 0.923 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(OC)cc2)CC1 914565053 RDPBMSHQLICBLM-UHFFFAOYSA-N 478.578 0.308 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)o1 914684011 SOIWRRVQKSTEDA-UHFFFAOYSA-N 473.511 0.801 30 20 JCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCNc3ncccc3C#N)CC2)C[C@H](C)O1 916640217 PAHUCELYBOEUFF-HOTGVXAUSA-N 451.553 0.046 30 20 JCED CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCCS1(=O)=O 1141411879 QBMDCIDDZLADDF-GOSISDBHSA-N 454.574 0.451 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1298097034 KGSHAFIMSIMSOZ-MRXNPFEDSA-N 454.516 0.762 30 20 JCED COC(=O)N1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1315113983 NBHAXZUVAGIIBK-HOTGVXAUSA-N 452.537 0.387 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1 1541116114 JVXKFXUJOUHFLL-CABCVRRESA-N 476.650 0.155 30 20 JCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1554482748 JQIHHPLEUOTDBH-LJQANCHMSA-N 450.547 0.696 30 20 JCED N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2=O)cc1Cl 1565963800 ZQPZAWBJSWPSCF-IRXDYDNUSA-N 459.934 0.614 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690219836 MCWHZAHNLUJKTG-QWHCGFSZSA-N 461.386 0.998 30 20 JCED C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCNS(C)(=O)=O 1690341724 SITXIBYEKFXNRK-UHFFFAOYSA-N 462.001 0.976 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1691035127 VNZUFURBEPWWJS-QGZVFWFLSA-N 465.562 0.985 30 20 JCED CCCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1695205233 LUDGWWMOGUWUFG-QFBILLFUSA-N 457.576 0.785 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1706747676 OZEHFICTABBRAU-JKSUJKDBSA-N 457.626 0.398 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1711422538 LBESDEKCNQXRMA-KRWDZBQOSA-N 460.564 0.662 30 20 JCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCCC2=O)C1 1712707172 XDLQCZWFDGAOOE-QZTJIDSGSA-N 495.606 0.132 30 20 JCED CS(=O)(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1712708649 FQZFFSFNSOZEMW-UHFFFAOYSA-N 455.548 0.874 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)N(C)C 1723953304 RAUZNZRSFNBQNF-INIZCTEOSA-N 474.591 0.170 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1779107564 TWPNZUTUYSDXHY-XNTKYKATSA-N 471.558 0.742 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060468 AKBLQMUMTYUEST-REWVYZQPSA-N 470.486 0.062 30 20 JCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)N1CCN(C)CC1 1781096332 RQRBWNAUPSEOIC-MZNJEOGPSA-N 465.558 0.514 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1781169092 HUBNTUPDZADMMS-JPYJTQIMSA-N 499.630 0.948 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781339647 GGGVQOWMKJMCLC-SBRVNECPSA-N 478.546 0.804 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782682529 JNHXHMOBRJZVGB-WAIKUNEKSA-N 489.529 0.308 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)CCO2 1783051708 KXWFWDBRANURQT-OSPHWJPCSA-N 473.526 0.997 30 20 JCED CC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783188355 GCIJDXCTPPHRPI-XMMPIXPASA-N 491.589 0.883 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783243987 OMKUDJOSAPHTHW-BXTJHSDWSA-N 455.602 0.952 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1783584013 VGLFBTVRDSMICZ-FWMUPONTSA-N 491.585 0.613 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1783765231 KKYZDTFUOBAMGW-ZHRRBRCNSA-N 467.567 0.557 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2)NC(=O)OC(C)(C)C 1785306153 IVFDANUOCHXJLT-HXOBKFHXSA-N 478.594 0.516 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785519778 CICUDXYITKCYFZ-QRFRQXIXSA-N 463.494 0.724 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1785575036 XBWMAPFWUQTJAN-KOSHJBKYSA-N 472.542 0.595 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1785594623 WZYKSRZGMPEPDY-UZFJHSOTSA-N 476.578 0.126 30 20 JCED O=C(/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)NCc1ccco1 1788720237 RMDSHCACTPJDJZ-SEASDXFMSA-N 488.541 0.961 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1)C(C)(C)S 1792284499 AEOMLARRNOQLAU-RZLSGREXSA-N 487.623 0.236 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13C[C@@H]1CN(C(=O)OC(C)(C)C)C3)C2 1792490046 GVXPIVMCGBTNMR-WWFZUCMJSA-N 488.585 0.691 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC#C[Si](C)(C)C)C2 1793312104 LRVGEESSLXXNSK-FTEYMNFISA-N 471.696 0.955 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC)c1ccc(O)cc1 1793322002 JUMFNLOIWZOCGD-XWQURZDVSA-N 462.568 0.914 30 20 JCED CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N)c1ccc(F)cc1 1795599575 XURBYJOXGUOLMZ-KOUHRCEDSA-N 473.549 0.874 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796357953 XIJHAOGMIWEDLX-BASYENTBSA-N 491.545 0.951 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1c(=O)n(C)c2ccccc21 1797746089 CENOOWKQUQCLFW-WZHAIUFBSA-N 451.527 0.837 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797810378 QFEMGYOKIJUVAX-OKFDQDJQSA-N 498.577 0.381 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCO)C2 1798358172 SSDPDHXWIBDSBE-XMTFNYHQSA-N 498.577 0.439 30 20 JCED COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c1OC 1798766990 CIJJHBCNARAAJZ-WIHHOWHQSA-N 462.503 0.831 30 20 JCED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)cc2)nc1 1798921044 ZVVJKKBZVSUZHB-XEMDLRDOSA-N 454.508 0.874 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]1O2 1799150577 AGSYIGFSXLNCJE-CDPKGHFDSA-N 491.585 0.639 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2 1799231896 AKAVUIJFXZUNIX-MTHXSQLBSA-N 493.605 0.720 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1799393661 LLVJMSSFLLOZJZ-RMRDIRSESA-N 466.560 0.630 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc5n(n3)CCCNC5=O)C4)c2c1 1799882329 HKLYDFSANLEVDW-YVWYUNDQSA-N 488.508 0.282 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCOCCOCCOCCOC 1800204940 DWGJIBVWYOTQCY-PHCXZPCUSA-N 481.590 0.569 30 20 JCED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800907041 ULHDIXNBRDDASJ-OCVGTWLNSA-N 488.607 0.534 30 20 JCED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(C)C)c(C#N)c1)C(=O)O 1801849005 UQXLXBKHHNMLCF-NYUBLWNDSA-N 458.515 0.611 30 20 JCED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2)NC(=O)OC(C)(C)C 1801932028 IULHZOWBVBJQDB-AXVVYFOYSA-N 487.619 0.870 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801983830 FNTXAJUCVKDFMJ-KYHPRHEASA-N 478.546 0.726 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1801991898 GVHJOWZIDZNVBA-VPTLXERWSA-N 479.518 0.910 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1802151511 FVVUDQFRBGQBTD-UYTYNIKBSA-N 469.579 0.831 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1807147269 INXWIRJXIPGNFG-LPHOPBHVSA-N 453.551 0.702 30 20 JCED Cn1ncc(Br)c1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812876957 CIUWTNSEEZIJEO-SUMWQHHRSA-N 460.288 0.985 30 20 JCED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2)C(=O)C(=O)O 1824674599 SNAIDSOREMSLLU-GDWIWIMNSA-N 467.504 0.127 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCN2C(=O)OCc2ccccc2)C1 1828877155 CJRBYCOFWYQHBI-ZVOVDXHFSA-N 496.564 0.755 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1830416559 VRECLYGWMLCLQS-PBHICJAKSA-N 458.523 0.847 30 20 JCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)nn1C 1830945206 FNBPOAIBXWZAIR-XMMPIXPASA-N 451.527 0.842 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208798 QTAHVWBYZTVZMQ-YQOVMPOYSA-N 479.574 0.784 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1831387370 GQJCPAKBEVGKMU-HTAPYJJXSA-N 464.540 0.198 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1831387846 LXRKJCKKBJKQMJ-RQNQAMLKSA-N 483.565 0.530 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1831437730 HFFPNLIQIDOAJI-WZONZLPQSA-N 467.563 0.902 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)cc1C#N 1832701619 KRHNRFPCNCRMJM-HOYKHHGWSA-N 499.524 0.014 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1834714757 OCHHMFKQMUZZAW-UHFFFAOYSA-N 458.563 0.553 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c([N+](=O)[O-])c1 1835361562 QNGWFGQTELDVIJ-NRFANRHFSA-N 460.443 0.755 30 20 JCED Cc1ccn2c(=O)c(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)cnc2c1 1835407244 SNTHRGRTEXIEFJ-UHFFFAOYSA-N 465.510 0.276 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)N4CCOCC4)CC3)CC2)cc1 1835766960 SCAGOJLLVHAHSK-XMMPIXPASA-N 455.559 0.394 30 20 JCED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)c1 1836122692 AIZYTPUJXDXWLA-UHFFFAOYSA-N 482.541 0.304 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836994952 XUWRBLVGSIFIAG-UHFFFAOYSA-N 485.581 0.999 30 20 JCED O=C1Nc2c(cccc2C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)C1=O 1837137774 IOEJGFXOGSDLII-OPSZGJHISA-N 480.477 0.604 30 20 JCED CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(C)C 1837216898 IZEBPLUSWVHYNV-GCJKJVERSA-N 452.552 0.312 30 20 JCED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)C 1837221190 HROGLQBSDXUOCZ-PTJKWTKHSA-N 452.552 0.502 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1837397050 LYDYOHWEKPTSFF-WMZHIEFXSA-N 495.598 0.269 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)o1 1837450928 ZGJXLTOIVMQUTO-JOCHJYFZSA-N 461.519 0.590 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)N2CCOCC2)CCO3)c1 1837522510 IBGPQKSGKNEOCI-RVSNTGDXSA-N 472.542 0.034 30 20 JCED NC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1ccccc1 1837562722 OHSLBABCCFWIJA-LUKVOKQUSA-N 454.527 0.897 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2)c1cccs1 1837946627 LTNMPFKWIMVOMX-LFTXJPJQSA-N 486.506 0.745 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2 1838327601 YRIHMJXHRCOTPL-QHCPKHFHSA-N 487.633 0.697 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838418823 SSTZDQQZCFHTNH-IGPUNGKJSA-N 488.570 0.298 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)cc1-n1nccn1)CCO2 1838628833 YNJJJVKMRZBKDO-KBDOHKNDSA-N 494.552 0.504 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044629 PBMPLBYEIXZDQG-ZHRRBRCNSA-N 462.572 0.560 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)CCO2)C1 1839108267 DYZAGCJPEQLDIP-LFALDJFMSA-N 497.589 0.262 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1839174859 ALXXYENXAQBTSM-JXSPYEIYSA-N 489.525 0.418 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1839175311 BDYFFDKJXSTSSS-QHCPKHFHSA-N 483.562 0.865 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839378794 DGZYELOOGAEMEL-JPYJTQIMSA-N 453.499 0.376 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421077 UVAOIJHKJGKKRW-NFBKMPQASA-N 491.472 0.262 30 20 JCED Cc1cccn2ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)c12 1839611033 TVJFPELAIABEFD-XMMPIXPASA-N 468.558 0.995 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)n1ccnn1 1839704700 BTWWGFPZSGUWOK-FDDCHVKYSA-N 452.515 0.800 30 20 JCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1839840506 GWAWIVSGJYLWIR-VLIAUNLRSA-N 452.533 0.120 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1840060621 ZNOLMFNOOZFVDD-FLFXDLLNSA-N 497.589 0.404 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1840169351 ZIPIPHDSLCVPTL-HSZRJFAPSA-N 469.498 0.552 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1840479637 CYGSGBPSULUYJO-JKSBSHDWSA-N 493.565 0.160 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CN(C)C4)C3)C2)cc1C#N 1840764025 FMWAPWOIVOSWIZ-XMMPIXPASA-N 456.543 0.977 30 20 JCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n1 1840813446 ADNHIMOIDWUMDX-OAQYLSRUSA-N 459.459 0.762 30 20 JCED CN1N=C(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CCC1=O 1840818725 UMOFGXMLHCRCHF-HSZRJFAPSA-N 469.498 0.002 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)C2)C1 1840840941 UZZNQIAJXIQRSY-CVDCTZTESA-N 477.583 0.532 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CC(N)=O 1847856808 RVJQEAVSURSBCJ-YVSFHVDLSA-N 495.577 0.505 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]cnc2n1 1847939158 AOMKCRJADDLXEH-KBMXLJTQSA-N 471.518 0.702 30 20 JCED CCC(CC)C(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 27609450 JTQRELXHQCANAU-UHFFFAOYSA-N 475.615 0.972 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3OC)c(=O)n2C2CC2)CC1 514491407 KKCQKURUPKOUCN-UHFFFAOYSA-N 468.579 0.929 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)nc1 524232639 AUTMTVURGCORPV-UHFFFAOYSA-N 465.535 0.743 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1F 603801036 RQRLQVUIINTHMV-UHFFFAOYSA-N 497.527 0.524 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)C[C@@H](C)O1 608925169 UOCZZENQDRCDPM-HZPDHXFCSA-N 473.559 0.438 30 20 JCED C[C@@H]1CN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 726294468 SGRBSZMCKIJDFN-VKWHMPGMSA-N 451.549 0.275 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(=O)N(C)C 726576986 FCQVVNNGGHEOEZ-AWEZNQCLSA-N 455.536 0.903 30 20 JCED COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 726727753 WNEUNZPMPBORDJ-WSRQSJKRSA-N 465.532 0.785 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)c1 729671200 KGKAQMINNICIRM-UHFFFAOYSA-N 461.565 0.135 30 20 JCED CS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)OCCO2 914557956 UXZLUCKSUWPIPZ-KRWDZBQOSA-N 482.584 0.997 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCN3C(=O)c4ccccc4C3=O)CC2)o1 914684474 DXXDKAKHNGCJKN-UHFFFAOYSA-N 451.439 0.733 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(S(=O)(=O)N3CCCC3)o2)cc1 915367041 LEJGKJOHECWRIL-UHFFFAOYSA-N 453.498 0.957 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCc3ccc(S(N)(=O)=O)cc3)CC2)o1 915379245 NSAGMCROMGNFGO-UHFFFAOYSA-N 461.500 0.327 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H](O)C1 1316102486 WMBLDSZFXMBWLO-KSZLIROESA-N 470.596 0.529 30 20 JCED CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1616886648 KHDOZQTTXXAYNT-QHCPKHFHSA-N 488.614 0.948 30 20 JCED CS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1620176744 JWEUKOFFGJDUMF-UHFFFAOYSA-N 467.559 0.478 30 20 JCED N#Cc1cc(NC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)ccn1 1673981127 UXYRAUZCMZQCQY-UHFFFAOYSA-N 457.516 0.723 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1696689548 RPTWZEXJZPQLOV-SFHVURJKSA-N 458.544 0.547 30 20 JCED COC[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697734536 STSHRIKHJKVMGU-HOTGVXAUSA-N 462.580 0.764 30 20 JCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1712714182 QRFKKBBQSVLAIZ-SFHVURJKSA-N 487.586 0.869 30 20 JCED CC(C)N(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723525815 KBDSJXXEPGNHLN-WOJBJXKFSA-N 494.666 0.518 30 20 JCED CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)CC1 1743907370 PEXKVTUXEJQMQD-QGZVFWFLSA-N 452.563 0.990 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1747448391 QNQRZWSABLJGHV-QGZVFWFLSA-N 473.559 0.479 30 20 JCED CN1C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NCC(F)(F)F)CCN2C1=O 1748051970 KONYDAGMRHSNRW-HNNXBMFYSA-N 492.462 0.963 30 20 JCED CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1771364539 IMWSBEYYMAHPKK-UWJYYQICSA-N 460.560 0.734 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4cc(C(F)(F)F)ccc4n3)C2)C1 1778531779 MYXDUGNQEWTFSU-LJQANCHMSA-N 450.373 0.885 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1778788452 ZLNYXFSSWOJUNL-SIKLNZKXSA-N 460.487 0.004 30 20 JCED O=C(COC(=O)C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1778891947 ZGVVJJISMRJFQM-LBPRGKRZSA-N 468.278 0.277 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OCC)C1 1779203736 OSTSSUCYJCGEEQ-FYINFDKHSA-N 455.508 0.074 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1779423840 SPKCGEGAEJPYPJ-DIIINEDVSA-N 498.627 0.890 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c1 1780061685 SHYLNUREMLSZKQ-XMMPIXPASA-N 474.477 0.727 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1780654398 YIQKYFXNJIBWBB-VQBGDGMRSA-N 493.601 0.766 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](F)CN3C(=O)OCc3ccccc3)C2)C1 1781388555 QSRXILKCMLIANO-AXHZCLLHSA-N 487.484 0.654 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1781394695 FRVJYPTXOITJBG-NYHFZMIOSA-N 472.502 0.923 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)cc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n3c(=O)n(C)c4ccccc43)C[C@@H]21 1788574577 COEFGRKUNXARIN-IDPBPBMLSA-N 470.570 0.893 30 20 JCED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1 1789260007 SALRXDZEUKHOTB-SNRMKQJTSA-N 459.572 0.644 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCCNC5=O)C[C@@H]32)c1 1789344821 WAFRRUUOOHUMSA-DOXZYTNZSA-N 451.487 0.123 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C[C@@H]21 1789890780 PHIKTIJQTJVAPO-SZMVWBNQSA-N 471.514 0.434 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)ccc1F 1789907177 NITGDSJNOFFNDA-QOKNQOGYSA-N 479.472 0.264 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 1790213397 IVHMZMSIFCJOHR-GHQQVDCHSA-N 458.471 0.752 30 20 JCED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)c1 1791988876 MTEVQJFYLPKECB-TTYHFUOFSA-N 450.495 0.832 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792282645 MFHNEIHAQLUYAG-QAETUUGQSA-N 467.567 0.494 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](NC(=O)OC)c1ccccc1)C2 1792484276 CFBJBTRCXUZILX-IPVZBFIUSA-N 470.526 0.532 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1792491076 YTPFVEPEPLDPOD-GXDSFMDGSA-N 471.539 0.187 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793713579 QHDJYZLPFBGDGZ-MRSFGVLCSA-N 460.494 0.972 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793730373 GDQMUHBDJSONIJ-PTEHBNRSSA-N 454.373 0.441 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794369859 FFPSRUOYKYYFGC-BASYENTBSA-N 487.513 0.295 30 20 JCED O=C1COc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)cc2N1 1797450710 SQNWFSKWISQPIN-SSJCNKTBSA-N 472.498 0.750 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797626541 BHKUSXSGGRDTFX-LOAAXEFPSA-N 489.577 0.379 30 20 JCED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1797968483 SHXDSEHHRLPOLG-NBMJBFSESA-N 493.358 0.675 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccc(C)cc1)C2 1799305612 WFTIQODKDCMMBD-HATOLVCRSA-N 457.527 0.824 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799886181 LVMGUROTFGAEIO-VAKZPMALSA-N 490.524 0.108 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(I)c(CC)nn1C)C2 1800451684 BMVGDWDLICJIBC-QHBPRCKVSA-N 456.284 0.424 30 20 JCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1cccc(Br)c1)C2 1800778467 ANGPWNRIOYVCEJ-JGTCGTHISA-N 451.273 0.160 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O 1801333629 KKLLZEOPLQKIRM-CNALLMJASA-N 478.546 0.637 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1802088170 VNOWINPOYJTQPP-QMIVOQANSA-N 459.565 0.351 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CN2CCSCC2)[C@@H]1c1cccnc1 1802479778 YZSUSNREBPDROM-OCOIBCLLSA-N 457.600 0.995 30 20 JCED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)Cn4cnc5c4c(=O)n(C)c(=O)n5C)CC3)C2)C1 1804777432 YWTNFNCCPBSCAP-UHFFFAOYSA-N 468.558 0.631 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808737280 ZVXWFSMQVYPBGT-CBGDNZLLSA-N 474.514 0.451 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810356430 JQKKRIKTEXVVSM-URDQXLSMSA-N 495.602 0.944 30 20 JCED CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810357132 OOFKUPMCLKPHBG-HZMCIMTRSA-N 452.533 0.661 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)Cn4cnnn4)[C@H]3c3cccnc3)c2c1 1812069887 PQQPKFSSFPXTOI-KKSFZXQISA-N 456.470 0.836 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812392288 NMBIJBUQTCYJGZ-LPHOPBHVSA-N 460.487 0.140 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1819452294 JIFUUHUUWNJPIE-QDMKWJIZSA-N 483.489 0.976 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1819842111 VNMLHLAAXLYGKH-INIZCTEOSA-N 494.639 0.484 30 20 JCED C[C@@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824807980 HNCJPWWIZBZCPI-VCDKRKBESA-N 483.641 0.554 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807939 ZNMLLUDVLSPOFL-RDPSFJRHSA-N 485.541 0.503 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829051222 YAAGQPWOVWNMJR-ZYLNGJIFSA-N 487.601 0.298 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1829266600 ARBPRSLDLGQBMS-DEOSSOPVSA-N 468.510 0.914 30 20 JCED CNCCCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332735 XCAIUXHNIFFPEO-DEOSSOPVSA-N 470.526 0.526 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cc3ccccn3)C2)C1 1829773142 BWQRLDGGTSAOEA-YJGAIIDWSA-N 456.543 0.575 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1830064928 ZESDHVPWTAIDJC-VWMXVWASSA-N 452.511 0.903 30 20 JCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)c1 1830464746 SICHJTKFZCRTEG-QFIPXVFZSA-N 470.555 0.858 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1830465658 PJBFGVCLQDUYIA-QFIPXVFZSA-N 487.900 0.953 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)C(C)C)CCO2)C1 1830878422 ZEPVGSBVJBOLHE-ADCHYERDSA-N 481.590 0.929 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(COC)CC1)CCO2 1831386032 OQCFMRRCJBSHAS-UUOWRZLLSA-N 479.574 0.786 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1831396589 FUMIRXGJHUFUIZ-ZHRRBRCNSA-N 464.540 0.572 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(c4ccc(F)cn4)CC3)C2)C1 1831402441 YYCYLFHMVYOHSH-UQBPGWFLSA-N 488.560 0.932 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1831432977 DKXNBFBJPTYXEN-AVRDEDQJSA-N 452.548 0.967 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831498759 POXBPIZZDSJUPD-TZIWHRDSSA-N 462.609 0.467 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1 1831999065 PIFIZHZVOJZLFL-KSFYIVLOSA-N 471.551 0.531 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1832000800 XKOAGPDEUAMMJK-FDDCHVKYSA-N 492.577 0.594 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1CCCCO1)CCO2 1832345514 ZVKAHUQCOGCEHQ-ARTMYSNSSA-N 453.536 0.931 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CC(=O)N(C4CCCC4)C2)CCO3)c1 1832359973 GLTQUVWPTICDAV-MHECFPHRSA-N 469.542 0.747 30 20 JCED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1833434282 VMSDATMSNGCYMK-IXUOJCAQSA-N 477.518 0.474 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834760842 SOZZFDOGNGDRFG-VWKPWSFCSA-N 454.499 0.704 30 20 JCED Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)CC#N)CC3)CC2)n(-c2cccc(=O)n2C)n1 1834913543 XVGRXCYGJNIHKK-UHFFFAOYSA-N 465.558 0.978 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835381997 FUNSGGPOEJCGEQ-CJFMBICVSA-N 492.617 0.845 30 20 JCED Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835803178 BZPTZAOYWMIHNY-JOCHJYFZSA-N 462.572 0.802 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836377846 ASPVASVBRDELDU-GHTZIAJQSA-N 485.628 0.651 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1836866610 WXOMWHITSNDYEO-INIZCTEOSA-N 459.547 0.830 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1837396469 HOWCZJNPEXYOGG-NLFFAJNJSA-N 486.569 0.370 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc1 1837527251 ZNGQNMIDAOULLO-XJYGMZQDSA-N 491.541 0.714 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1837533290 NPTLYAKADQJTDP-UGUDOMKTSA-N 475.546 0.500 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837566770 LMKZULZIRUKWQX-FMCXKJFYSA-N 484.509 0.925 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Cn2cncn2)CCO3)c(C#N)c1 1837647846 YFDBLLSPNFROKQ-KOSHJBKYSA-N 482.541 0.494 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)ccc1F 1837948729 DQOVBULSGGCGJZ-HSZRJFAPSA-N 483.456 0.498 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838036631 DKJUIWRYGCSGCA-XXZIPLLVSA-N 471.461 0.877 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncccc3Br)CCO2)C1 1838073501 FDVORSFCQJVVII-YWZLYKJASA-N 466.332 0.952 30 20 JCED Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(C#N)c[nH]4)CC3)CC2)c(=O)nc1O 1838551221 KYLWJFGNFCVJCM-UHFFFAOYSA-N 468.514 0.770 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCN(C)C4)C3)C2)c1 1838584929 NYAIQAABXBMUAY-DVECYGJZSA-N 456.543 0.979 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)CCO2)C1 1839082783 QCKRFRXGOQGASH-FVJVTNMWSA-N 463.575 0.417 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839101267 LTFIZCACONBXPZ-QNFHRHJVSA-N 453.511 0.717 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1839173616 BNKZIURYLRUHPP-HSZRJFAPSA-N 456.499 0.914 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c1 1839452028 CUGRXIKIVSOHSW-OAQYLSRUSA-N 454.443 0.882 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])c(O)cc1C)CCO2 1839465721 KOZVNZXZYMORKJ-CHFIUFFRSA-N 488.497 0.537 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCO2)C1 1839481855 BSUUGQOFRURBOW-OYHNWAKOSA-N 471.470 0.579 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N(C)CC)CCO2 1839644999 VJGDUUXGXMTECQ-IMWIBFENSA-N 480.606 0.700 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H]3C(=O)OCN3C(=O)OCc3ccccc3)C2)C1 1839809935 UMICUDPYLXNVBM-CPJSRVTESA-N 499.520 0.378 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1OC[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840016804 YKIOIOFBYFUXHR-KSYXXAMZSA-N 491.585 0.738 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc4cccnc4cc3F)C2)C1 1840043813 VKMHDMSESDHOLD-QHCPKHFHSA-N 455.442 0.461 30 20 JCED CCN(CC)[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840044615 OGYFVAHTZDNUPB-LADGPHEKSA-N 457.527 0.614 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1840108168 ACSJFEOEYVVTSY-HOOSLVGPSA-N 494.589 0.438 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)S)CCO3)C2)cc1 1840157323 LFFAKDFFQBFXJT-FIKGOQFSSA-N 485.628 0.437 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840164565 APURUPYJFCELDG-UMEGOILYSA-N 493.601 0.864 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1840169393 BBOWGNDRVDGEEB-MHECFPHRSA-N 495.573 0.703 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840183214 UPZICIAHHRQIBR-DHIUTWEWSA-N 475.498 0.009 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnnn4C)C3)C2)cc1C#N 1840762792 PJJDGHAOHAXUMX-QHCPKHFHSA-N 468.514 0.858 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCO2 1840771599 HGVASDFKLLLSEU-RUZDIDTESA-N 465.506 0.990 30 20 JCED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cc1O 1840818656 OGFRMEKXBAFNIH-QFIPXVFZSA-N 455.471 0.146 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840836043 VOFFTNMMVUZGJJ-RIKPSNTJSA-N 481.546 0.943 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)c1 1844726952 RFJAEXMOROTSMX-RBUKOAKNSA-N 497.577 0.564 30 20 JCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C3)c(C#N)c1 1845139225 RMTDWAFQNJPMCN-HXUWFJFHSA-N 457.483 0.808 30 20 JCED CCOC(=O)C1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 490172344 NEPRCABKSOCONG-UHFFFAOYSA-N 470.573 0.384 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 517983196 KIDXZHUECVAREO-UHFFFAOYSA-N 486.456 0.881 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(F)c3)CC2)cc1 524259519 WOUXDPIJOQUAHZ-UHFFFAOYSA-N 459.459 0.268 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C1CC1 590997631 GOHHBIWBUWNBDX-UHFFFAOYSA-N 494.367 0.987 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O 608911150 MZRISQFZKREOBW-UHFFFAOYSA-N 480.468 0.856 30 20 JCED C#CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(OC)cc3)NC(=O)N2)CC1 728572822 FGAVSVDSGXDEMN-QFIPXVFZSA-N 469.542 0.233 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 729257281 ZVNHNTNMWHNKIA-UHFFFAOYSA-N 482.553 0.649 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1 729257591 HZGHNKPJMDKJOF-UHFFFAOYSA-N 464.563 0.898 30 20 JCED C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 761727727 OHNSVTZESUBSEN-ZDUSSCGKSA-N 450.542 0.982 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 915444995 VAVGJZUVZSZTKL-CYBMUJFWSA-N 485.515 0.801 30 20 JCED CC(C)(C)NC(=O)CNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 918913760 SMRNWRAMLISTML-UHFFFAOYSA-N 464.544 0.533 30 20 JCED CC[C@@H](C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1496270264 PALRONFWNOLIED-WBVHZDCISA-N 467.596 0.656 30 20 JCED CC(=O)N1CCN(CCn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)CC1 1508278787 KHQJRHVAOHGLNU-QGZVFWFLSA-N 477.573 0.952 30 20 JCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1517599435 JGKYWPHYUMKTFT-GOSISDBHSA-N 489.602 0.973 30 20 JCED CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1564689670 JKMUEQFQEFRHLA-IBGZPJMESA-N 455.515 0.760 30 20 JCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1617606874 RVAUJLLBWUKLOW-UHFFFAOYSA-N 489.602 0.973 30 20 JCED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1711022173 RWCBTWRKEGEWOB-INIZCTEOSA-N 475.531 0.261 30 20 JCED CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1748276727 WRBJDOSNZOGMBM-LJQANCHMSA-N 471.587 0.510 30 20 JCED CC1CCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1752264934 WNZZNODGEGKSLI-MSOLQXFVSA-N 467.596 0.072 30 20 JCED COCCN1C[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CC1=O 1769877310 JNJUDBLFSKRXIL-WBVHZDCISA-N 467.596 0.513 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779422656 IILQGNYGFQSUAN-XDGWQTLNSA-N 473.574 0.994 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)ccc1F 1779876739 KYKMDQNTEITGBE-JOCHJYFZSA-N 452.446 0.272 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779952248 DEAQLTIDHDNQRS-HSZRJFAPSA-N 470.551 0.898 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cc(CO)on1 1780217910 IBTZIMKYYZESLN-RIWRRIAWSA-N 450.492 0.823 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337377 MJKPCJNKGBLPDC-AOMKIAJQSA-N 461.519 0.606 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780361871 BHTXZUYYVLWTHL-LJQANCHMSA-N 455.437 0.966 30 20 JCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1780807314 SEOBVNWOKZNEEP-GSHUGGBRSA-N 463.535 0.572 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C2)C1 1781060846 DHLPMATUWSSVHJ-FUQIYGJBSA-N 491.585 0.879 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781168857 VOTQOUZSEVSKMN-KOSHJBKYSA-N 490.605 0.353 30 20 JCED Cc1ccc(-n2ccnn2)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1 1781192687 TYWJFQQAGFXQSD-AUSIDOKSSA-N 451.483 0.791 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782010159 GDGIMMYIUWFBFJ-AVIJNYRZSA-N 481.521 0.937 30 20 JCED Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c(=O)nc1O 1782199192 XRHLAGQKTRFJAR-QHCPKHFHSA-N 477.481 0.149 30 20 JCED CN(C)CC[C@@](Cc1ccccc1)(C(=O)O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782800678 JCZMQMNWHVPUMK-RPBOFIJWSA-N 485.537 0.170 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1783270348 ZVFYMUJFZYEEQY-PLGVSFSBSA-N 490.601 0.943 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089172 ZVWBMWPPGRWSOU-YCRPNKLZSA-N 451.524 0.050 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784253006 COPBHFCGHVBQIU-BTYIYWSLSA-N 454.524 0.642 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](COC)NC(C)=O)CCO2)C1 1785596544 ZMSQPFZNASZWIF-HJOCRKTISA-N 494.589 0.437 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785622458 KNBYYKTVYLSLSL-UUOWRZLLSA-N 493.605 0.962 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786884755 LBKWFBAHDWRYRK-TXTZMMAHSA-N 481.594 0.028 30 20 JCED CCOc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)nn1 1788660220 BUVADUHSXABKPF-DPRAIYEESA-N 461.519 0.998 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccn3)C[C@@H]21 1792258134 STFFKVXWXYGYFD-OKYOBFRVSA-N 459.547 0.779 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@H]1COc2ccccc2O1 1793840730 WCARZGXPXJNTTR-HGOBESDWSA-N 459.499 0.945 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794370344 YUWHNSWBGHSWMS-YVWYUNDQSA-N 451.439 0.329 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797234197 ZYKGHNMQBDPRGY-RCLSDMTESA-N 479.622 0.293 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1797811174 JWXKUFPEMDGVBF-ZGNLGFJESA-N 483.525 0.898 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1799231781 LSMOGHMDYJAHQI-UNJWAJPSSA-N 490.601 0.799 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1801275616 IBGASWGXXMKQEQ-ZDUSMZPESA-N 470.530 0.642 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccnc1)C2 1802125231 QTMKOVWKCMSVTI-OYSTVDSJSA-N 459.547 0.950 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)NCC)C2 1802139874 VUFAZHXBACALKX-FNMBMEHKSA-N 493.605 0.753 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)c1 1807049493 ZAPZYFZELKGHGY-PIPMEXSNSA-N 464.526 0.874 30 20 JCED O=C(NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807945825 IMSNICSIVVEUDJ-RCEHYNAKSA-N 475.469 0.239 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c(C#N)c1 1808178333 DCUZGYHZDRUUFZ-QFQXNSOFSA-N 495.580 0.497 30 20 JCED Cc1cn2c(=O)c(C(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cnc2s1 1809398740 XLRMIMSTFOQYLC-HNAYVOBHSA-N 465.491 0.867 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810361240 PGNZWXLGXBPAGF-KSPRKPNXSA-N 481.513 0.819 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]1c1cccnc1 1810567831 VXFWKFPJGPFLJK-SFHLNBCPSA-N 460.531 0.748 30 20 JCED Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@H]2c2cccnc2)c(=O)nc1O 1814038483 ABDLDIFRXFAIJI-QUCCMNQESA-N 481.557 0.640 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N[C@H]1CCc3nc(NC(=O)C#CC(=O)O)sc3C1)C2 1825670436 CGVJEDIKZVJQMZ-OLZOCXBDSA-N 485.522 0.779 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)C2)C1 1829769278 QLBYOQBRCYFMEP-RASRKNKNSA-N 496.564 0.964 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1831421276 HHEUFPLFFKLLQC-JPYJTQIMSA-N 455.515 0.928 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cn(C)nc2C)CCO3)c1 1831875442 ORUXBPODNZGBND-QHCPKHFHSA-N 453.499 0.993 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1831998672 QRXUPDPKQWYFBJ-GAJHUEQPSA-N 493.561 0.846 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833565809 VMRFPIAPESDGIT-JOCHJYFZSA-N 487.538 0.210 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)C2)c(O)n1 1833699903 HJEWIXFXKLMJDL-DEOSSOPVSA-N 496.524 0.179 30 20 JCED CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)cc2C1 1834760460 DPWLRHHNLVECKF-QHCPKHFHSA-N 488.545 0.617 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1835096179 TXYZESVDTASHFL-LJQANCHMSA-N 472.391 0.850 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c(Cl)c1 1835514064 YYJNJIJSIWNPKK-LJQANCHMSA-N 451.936 0.908 30 20 JCED CC(C)n1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1C(=O)O 1835672701 IIWDMHNJMMFUCP-HSZRJFAPSA-N 490.561 0.514 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835769256 ONAJIOXHDMVYJC-KTUMRIBQSA-N 463.579 0.778 30 20 JCED Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)cnn2c1 1836949664 VCIPMRRVPSAUNQ-UYYJYFBJSA-N 486.529 0.637 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525295 LTHCDBTYCUNAHP-MBIGCVILSA-N 469.535 0.704 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530994 VWVGDCOBDIEZIG-XTLIACCCSA-N 471.507 0.533 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837563025 IEDVEWGOWHDPIK-JEHGDBSQSA-N 452.471 0.511 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c1 1838578035 CIYSYAXBPSBVOS-HXOBKFHXSA-N 456.499 0.163 30 20 JCED CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1 1838757849 DNKHPOMEIDWDMR-RGEBAEOJSA-N 478.550 0.632 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838767570 LHBSTZNJDWTDHB-YVEFUNNKSA-N 462.429 0.694 30 20 JCED CN1CCCn2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(C#N)c5)CCO4)C3)cc2C1 1838908065 FPPKTJKLDUHJSB-RUZDIDTESA-N 478.553 0.974 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)cc1 1839362043 VDQITDKVNWGIBC-XMMPIXPASA-N 466.494 0.846 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1839363695 PXAPYGADAARKCJ-UGKGYDQZSA-N 461.540 0.400 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839436582 BCWPOZNAZTWZBT-RDPSFJRHSA-N 469.542 0.910 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1839889564 AYCXQUFOTWJOSL-IIBYNOLFSA-N 491.532 0.930 30 20 JCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1)C(F)(F)F 1839894715 MTQBXCKDXSWSRL-LJQANCHMSA-N 468.469 0.631 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)ccc3Br)C2)C1 1840039951 DYJGMBIHPKIIJY-LJQANCHMSA-N 469.263 0.746 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC)C2)C1 1840108135 PSPAMLDLZMHEQS-IXFSTUDKSA-N 468.595 0.910 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1840163453 UIJOVQGBPLBXSZ-FRMGNDQPSA-N 485.603 0.540 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34COC[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1840171236 WWZKFINXVOXDMP-GLYQVZKVSA-N 479.574 0.902 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c1 1840410085 VIYXQMQFAMZHTN-QHCPKHFHSA-N 451.483 0.806 30 20 JCED CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2)C(=O)O 1840713380 BZBQWABLPDQSSF-XKDCRVNJSA-N 458.515 0.446 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncn(C)n4)C3)C2)cc1C#N 1840762580 FIFGCXVOXBGLIF-QHCPKHFHSA-N 468.514 0.858 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CCO2 1840775780 FEGGDKVRSVREIW-HSZRJFAPSA-N 493.582 0.354 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C3)C2)CCC1 1840814423 ITAJYDUXFPDHRS-HSZRJFAPSA-N 482.497 0.442 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(C)CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1840840091 XKNRUAONBCGLBF-QTLGCAHFSA-N 493.601 0.864 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H](C)OCCN3C(=O)OC(C)(C)C)C2)C1 1840840585 WWJPSTLHKFDVOA-MFSJNOQSSA-N 479.574 0.881 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841848070 LTMYEFJSHKUZTB-HNNXBMFYSA-N 463.535 0.601 30 20 JCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CNCP(=O)(O)O)C2)c(C(F)(F)F)n1 1842873792 QFFWJJXOSBBFTR-UHFFFAOYSA-N 461.337 0.514 30 20 JCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccc(O)c(I)c2)C1 1845553034 FNSJRLBLMLAVAB-UHFFFAOYSA-N 454.220 0.902 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847089818 GIZDKNJPIAFFCW-GJZGRUSLSA-N 453.540 0.759 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 503345059 REHMNTGSIRGARL-IAGOWNOFSA-N 493.586 0.039 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC4=O)cc3)CC2)cc1 518069264 AUVNBWKEZOTLFJ-UHFFFAOYSA-N 482.522 0.559 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 524282198 VPUXXPXTROVFOV-UHFFFAOYSA-N 454.552 0.746 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cc1OC 603796146 QSDFTWRTIZVJDE-UHFFFAOYSA-N 457.552 0.945 30 20 JCED CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 603804281 UYTYNYOQJLFDLL-UHFFFAOYSA-N 483.597 0.744 30 20 JCED COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 604022494 DLNMKHIEKSNYKK-UHFFFAOYSA-N 492.579 0.898 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C(C)C)cc3)c(=O)n2CC(N)=O)CC1 608911159 NWCJWWZYJUCKHS-UHFFFAOYSA-N 467.595 0.186 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)C1=O 623230361 QYSFEXFLVZSQRD-UHFFFAOYSA-N 462.528 0.542 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCOCC 725763428 KWNCJPUAJBOAGZ-UHFFFAOYSA-N 486.506 0.431 30 20 JCED N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 728188805 OYPKIGMTQQTTCZ-RBUKOAKNSA-N 466.585 0.188 30 20 JCED CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 748408935 ALRSWVRYTKNROR-UHFFFAOYSA-N 464.544 0.153 30 20 JCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 751398219 BEAACMHLHXMGJQ-KRWDZBQOSA-N 471.539 0.994 30 20 JCED C#CCNC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 852965312 ZRJDRPSDWIXWKV-SFHVURJKSA-N 463.556 0.598 30 20 JCED Cn1cc(/C=C\C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O 917010283 AUSAXIQINSBUCB-JEUDQZORSA-N 466.454 0.063 30 20 JCED COCC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918273038 ADNCGMWECCJLGK-HKOYGPOVSA-N 479.559 0.192 30 20 JCED N#Cc1cc(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)ccc1Br 1209366869 UQAOCFLRNHDJGT-UHFFFAOYSA-N 454.393 0.978 30 20 JCED CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1302480980 UXFAZPWYMJWQDN-UHFFFAOYSA-N 490.586 0.742 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ccccc2)C1 1302484402 OTGIINDOIAILJH-ROUUACIJSA-N 462.532 0.419 30 20 JCED Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c(C)c1 1444320838 NMBUSADFKGSFKD-QGZVFWFLSA-N 453.499 0.966 30 20 JCED CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1545535582 KPUXPCBAJPWPHR-KKSFZXQISA-N 459.576 0.934 30 20 JCED COc1cc(C#N)ccc1OCC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1631921812 JKXBFUUODDNKMZ-UHFFFAOYSA-N 459.480 0.906 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C)CCOCC1 1692797041 ULKKWEUVXLIZRY-RDJZCZTQSA-N 451.597 0.882 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729746048 IZSGCOMTPDPRLO-QGZVFWFLSA-N 463.539 0.722 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CCO1 1748211341 YZKVCZHIIWVBIR-XLIONFOSSA-N 453.547 0.736 30 20 JCED CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1769233816 LASLVNCHJIYQNI-HSZRJFAPSA-N 453.547 0.758 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1)NC(=O)OC(C)(C)C 1779097901 ACIMSSHQLJVFJH-LJFZDNNRSA-N 496.605 0.326 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)C(=O)Nc5cccnc5)C4)C3)c2c1 1779207630 OMMREFKITLDHDZ-HSZRJFAPSA-N 459.466 0.912 30 20 JCED O=C(/C=C/C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)NCc1ccco1 1779208786 QUDHKLMJIPJGST-QERJEUSLSA-N 457.531 0.754 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1779359253 CFMQHMFTPZBCGE-OTHBRBSCSA-N 471.562 0.226 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1779402434 OADJRGWXLGRKDP-YZUZCNPQSA-N 492.569 0.694 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@@H]3CCCCO3)C2)no1 1779423628 VLMZXRAXZCMUPV-LXIRUSAQSA-N 491.545 0.756 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1779428480 LWTLVGSDDCCLQV-ZTIAMSAJSA-N 450.536 0.556 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780197552 NYXARXGAAWLEIQ-NYHFZMIOSA-N 455.471 0.160 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781116012 YXIYHGVFJVUEME-MIVHDCIWSA-N 482.578 0.845 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2 1782107819 HVYVVLWDEOQFHN-XCGNWRKASA-N 466.583 0.453 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782787959 UGCQCLPWQVFJPT-XWRADEMYSA-N 460.491 0.058 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CN(C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)CCO2 1783046864 WSWPAKFSYIFPAY-KBMIEXCESA-N 490.601 0.550 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1783980957 KUFMGMGLNVHBRW-LJQANCHMSA-N 454.405 0.689 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1785682429 OONUYBYBSXMJAL-KKSFZXQISA-N 453.511 0.814 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=N)N)[C@H]3C2)cc(C(F)(F)F)c1 1786808213 FNIXNPZPXFHKOE-RCBQFDQVSA-N 452.437 0.653 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)c2ccccc21 1789344855 WXVGZCARHWITGV-FIKGOQFSSA-N 462.510 0.833 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792139304 WHEBSTHTZFMPOE-FJIDUMEYSA-N 463.579 0.902 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O 1792451480 ULSJCJCLOUJIOM-DGPQGTHCSA-N 463.575 0.997 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCNC(=O)OC(C)(C)C 1793220228 WAPLBYYOYDCKFO-FTEYMNFISA-N 467.563 0.546 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1793313640 AEABBNDHYGPFNH-LJGDNWOOSA-N 452.508 0.228 30 20 JCED CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1794114031 RSDHDAGMKFXYOS-HIRMHNASSA-N 458.519 0.678 30 20 JCED CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083740 JLROKZSBGJCXQQ-DMUMMCEESA-N 479.578 0.689 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)[C@@H](O)C1 1795416399 MMWYTVCAHNMDTQ-OYNZLANYSA-N 450.536 0.498 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)cc1 1795930264 WLCNEZFDDKGEET-JLVBRIDZSA-N 455.496 0.227 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)c(C(F)(F)F)n1 1795997038 QNHZMEYOQIKBCJ-DPIQGUFMSA-N 493.402 0.980 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cn1 1796076492 FYRVUAOEAHHIRS-PUZBOVKYSA-N 494.570 0.358 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](NC)C(=O)O 1796094038 PJNHVKVGGSWLNC-QEOTZNIISA-N 450.536 0.604 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C[C@H]1CCOC1)NC(=O)OC(C)(C)C 1796448837 PCEHMMFSIFROLB-COXXTLHVSA-N 493.601 0.934 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1797703611 AGYVICZWYMFVFJ-ADHGMGHFSA-N 469.579 0.425 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2 1799235928 NHPQIZABAFWLAN-SFNKJDCFSA-N 480.562 0.629 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)CCOC1 1799330943 LMASVULSHZSWKI-CPBBTPEFSA-N 450.536 0.810 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1799389496 NDEFVTCQXWKQIH-UYTYNIKBSA-N 470.567 0.653 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1C 1800278620 ZVXIWXUVRXZPOA-DMUMMCEESA-N 459.547 0.698 30 20 JCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)C(F)(F)F)c1 1801031705 WOTARVRQNBDVCL-HGKCTWBKSA-N 452.433 0.759 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)n1cnnn1 1801440545 WZSZIPNRYNXFSB-ARKGTOAJSA-N 497.622 0.425 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2I)C3)CCC1 1801983952 BRORXNHLQDVLAK-PTEHBNRSSA-N 469.283 0.911 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1807145258 INTNGPLWROZTCS-CRAIPNDOSA-N 453.503 0.884 30 20 JCED C=C(C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1)C(F)(F)F 1812678479 VJNXQZHVPWTJBG-IUODEOHRSA-N 462.392 0.646 30 20 JCED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1815195736 ZUYFCUSMJRZKKE-WBVHZDCISA-N 451.549 0.171 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1826876427 AXJMEOWQLXJDDW-MSOLQXFVSA-N 464.563 0.936 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828584454 JDZDBDSFQJLOHG-YCRNBWNJSA-N 477.631 0.679 30 20 JCED Cn1ccnc1C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828740890 LADQHOJTSSSPEH-XMMPIXPASA-N 479.493 0.574 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCN2C(=O)OCc1ccccc1 1828914737 GJHLQHCBLQOVFF-JPYJTQIMSA-N 453.499 0.631 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@]2(C1)CN(C(=O)CN)CCN2C(=O)OCc1ccccc1 1828954019 JTVMGFSVEJNKBE-HMLKYZKVSA-N 469.542 0.256 30 20 JCED NCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCN2C(=O)OCc2ccccc2)C1 1829133692 OFLYWPGSBLTERO-QDPOXKPESA-N 487.557 0.926 30 20 JCED N#Cc1cccc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C(O)O)C3)C2)c1 1829190652 ZNAVOCJIHGLRKP-RUZDIDTESA-N 478.505 0.935 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)cc1 1829628300 OFGOCSNAOGBPBD-SANMLTNESA-N 491.548 0.772 30 20 JCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CC(=O)CN4C(=O)OC(C)(C)C)C3)C2)C1 1829660817 GCSMIBAPRLLHSK-CYFREDJKSA-N 477.558 0.988 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnc5c4OCO5)C3)C2)cc1 1829903939 GCAYLZAAMNXGFJ-XMMPIXPASA-N 464.478 0.995 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(C)(C)O 1831223011 NBMDDQPCMIEUMF-DVECYGJZSA-N 479.574 0.520 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CC1 1831223190 OYDZYBCHZKMHOU-VWLOTQADSA-N 490.601 0.409 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO3)c1 1832160141 ADQOPFNUQRNSQU-WOJBJXKFSA-N 471.432 0.950 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CSc3nc[nH]n3)CC2)CC1 1833077354 URUBPIQAKJSTAN-ARJAWSKDSA-N 461.592 0.327 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(OCC(F)(F)F)n1)CCO2 1833428412 OGCRURVMEFIPSQ-LJQANCHMSA-N 471.388 0.181 30 20 JCED COCCOCCOCCOCCC(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834607095 GFLWTIVBRRBVSW-UHFFFAOYSA-N 482.622 0.948 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1835360076 RQCLMXXCIDIXNF-DEOSSOPVSA-N 478.509 0.871 30 20 JCED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1835402702 OVKHEVBRNYOCRC-XMMPIXPASA-N 455.559 0.266 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)CCO2 1836260277 ZEKWOQNXWCKTQW-VWLOTQADSA-N 481.553 0.753 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1837443259 AUISPKBNWURNSX-JKJLQIMHSA-N 454.531 0.876 30 20 JCED O=C1Cc2cccc(C(=O)N3CCOC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)c2N1 1837447350 YXSLDBILMNFCBX-FYWXSZBBSA-N 469.542 0.723 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837492387 HCFSXZBYBGELEB-DEOSSOPVSA-N 485.516 0.637 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837529748 DWPDQOLRWQTFER-NWZFTMRGSA-N 479.486 0.402 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1837529764 YBCFKAYWABYSNP-UWDDZFTESA-N 477.543 0.995 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn1 1837561657 ZQHOUESUGFIERH-CSOJOJLQSA-N 457.487 0.657 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCC(OC4CCN(C(=O)C#CC(=O)O)CC4)CC3)cnc2s1 1838250282 FLRUZUGPLJDCEI-UHFFFAOYSA-N 472.523 0.765 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1838405701 NCXXEBKRPWWOGN-XAOCGEIJSA-N 461.519 0.911 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)c(C#N)c1 1839132796 QYIKSLHBWQTCSX-VWLOTQADSA-N 490.520 0.922 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)c(C#N)c1 1839132994 WLRPIVKDWSFNKZ-NRFANRHFSA-N 499.442 0.671 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839175574 RGXVTCJJLWCCIG-HSZRJFAPSA-N 471.514 0.238 30 20 JCED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)c(=O)[nH]c1C 1839186780 OBHFQCZLTFDGIM-XMMPIXPASA-N 483.500 0.710 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)cc1F)CCO2 1839290192 AVKYDWPKEFCUIU-FUMRIQNTSA-N 461.490 0.763 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839517939 HCRCKVKQZFTQAZ-NYNQOQISSA-N 457.487 0.448 30 20 JCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1839577022 HFTGVXFJUAUIHG-NRFANRHFSA-N 459.528 0.746 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1839740042 PDVXNGVOQUYSDA-MHECFPHRSA-N 472.542 0.492 30 20 JCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)Cc5ccc(OC)cc5C#N)C4)C3)(C1)C2 1840006211 UMSBGNPBGMXGCR-WNMGUVTHSA-N 497.548 0.909 30 20 JCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1840082780 OTTYLILCJGMAPR-NFBKMPQASA-N 472.579 0.351 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1 1840295604 XFTZROBZBCIQHH-DEOSSOPVSA-N 484.590 0.333 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2cncn2)CCO3)c1 1840419713 OEXHQOQHORARBG-OPAMFIHVSA-N 454.487 0.490 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)C2)c1 1840713113 FFVWJGDQAKWOBT-SSOJOUAXSA-N 492.536 0.637 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)NC(=O)OC(C)(C)C 1840796894 SFOWKYYENQLNKM-RHGYRFJNSA-N 494.589 0.438 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1840819371 HCKHQIPNHWNZBY-DEOSSOPVSA-N 476.493 0.979 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1840820069 WZDHDZVJZLOAAT-DEOSSOPVSA-N 476.493 0.750 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1840908519 BZAFTUVMJDSMBU-UUOWRZLLSA-N 488.541 0.774 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1840959573 YABQCGDNEWNHSJ-GCKMJXCFSA-N 473.592 0.397 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 18447023 ODXMMWDBMOWXPE-CYBMUJFWSA-N 467.525 0.982 30 20 JCED CCOc1ccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccnn3C)c2=O)cc1 502044557 DROSHVAAJYMSIM-UHFFFAOYSA-N 453.524 0.297 30 20 JCED CNCCCc1[nH]nc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1C#N 516151490 IUTZAHKTPHYKPF-UHFFFAOYSA-N 462.532 0.715 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C1CCN(C)CC1 516828317 BTKOMOYHUBOVML-OAHLLOKOSA-N 488.585 0.978 30 20 JCED CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 517113555 GLAXLDUZTVWEQW-UHFFFAOYSA-N 499.549 0.497 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3)c(=O)n2-c2cnn(CC)c2)CC1 522386325 NSRQLYUYCHANRB-UHFFFAOYSA-N 492.605 0.791 30 20 JCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(=O)N(C)C 586828039 MLENZCZXHIBIHO-UHFFFAOYSA-N 489.619 0.910 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1ccccc1 592992714 LAVCSWRNCRSEMD-UHFFFAOYSA-N 490.520 0.884 30 20 JCED Cn1cccc1C(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 603684131 UOCCGJNLCWWXGJ-UHFFFAOYSA-N 484.582 0.188 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 603792744 KCUXSJPYSPNVIT-UHFFFAOYSA-N 459.524 0.387 30 20 JCED COCCn1cnc2c1c(=O)n(CC(=O)N[C@@]1(C#N)CCSC1)c(=O)n2Cc1ccccc1 603885409 GQUIKWMQFVUIER-JOCHJYFZSA-N 468.539 0.570 30 20 JCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603890695 JLTGNYPZWJWTCY-HNNXBMFYSA-N 475.527 0.784 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OCCOC)c3)c(=O)n2C2CC2)CC1 603997967 CZSYAONWWDEJTR-UHFFFAOYSA-N 482.606 0.937 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccccc3)c2)c(=O)n1CC(N)=O 608911242 VIBLWSMDHMWBIA-UHFFFAOYSA-N 462.531 0.328 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCNS(C)(=O)=O 608912665 UDGBODJKBYEVPA-UHFFFAOYSA-N 476.624 0.612 30 20 JCED COCCN(CC(=O)OC(C)(C)C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609195019 MKYPONBMVVFGKA-UHFFFAOYSA-N 480.587 0.681 30 20 JCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)c1 725916361 AJLXYRRCSATARI-UHFFFAOYSA-N 453.498 0.594 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnc(C)s3)c2=O)cn1 726180451 LASPLKSVQKKLRS-UHFFFAOYSA-N 456.553 0.242 30 20 JCED C#CCNC(=O)CN1CCN(CC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CC1 728572843 MZEQLDJYHKPECX-UHFFFAOYSA-N 478.391 0.521 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCS(C)(=O)=O 729675185 UMACFVDVKVTKSI-UHFFFAOYSA-N 481.571 0.139 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@H](C)C(=O)N3CCC(C(N)=O)CC3)nnc12 913163471 OIJQOBPKXGLAGN-CQSZACIVSA-N 498.565 0.978 30 20 JCED CCc1nn(C)c(CC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1513767747 VIZVTOUNGZMYED-WBVHZDCISA-N 489.650 0.971 30 20 JCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCN(C(C)=O)CC1 1513925887 YHUUPULXBGDAAS-QGZVFWFLSA-N 452.567 0.381 30 20 JCED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1561512243 RXUHAOKTDFWXEJ-UHFFFAOYSA-N 459.366 0.732 30 20 JCED C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1596871405 YXYVHXDCUMSCEG-UONOGXRCSA-N 454.578 0.624 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)N1CCOCC1 1608563558 KZTJXZDXKUSZSN-SFHVURJKSA-N 467.578 0.730 30 20 JCED N#Cc1ccc(-c2cc(N3CCN(C(=O)CNS(=O)(=O)c4cccnc4)CC3)n[nH]2)cc1 1640947780 VBIOZXPRZIZELP-UHFFFAOYSA-N 451.512 0.970 30 20 JCED Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)c(=O)n1C 1693089900 SSBVCFYKRLRDIN-UHFFFAOYSA-N 467.555 0.954 30 20 JCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1697708397 YEMXZJPVCWTFDF-SFHVURJKSA-N 472.571 0.937 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1710989499 ORWZSPZGZOYRNV-UHFFFAOYSA-N 486.602 0.062 30 20 JCED CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccccn1 1760813301 JPTHYTGVPWHIFZ-SJORKVTESA-N 475.575 0.713 30 20 JCED CS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1770340795 XADJPNDWTPOBAH-HXUWFJFHSA-N 473.603 0.416 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C)nn3-c3cccc(=O)n3C)CCO2)C1 1778969818 SRSIMLRLEYGLDA-DFBJGRDBSA-N 483.569 0.896 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1779102415 HJLKFVATIAXHGG-RVUOGAPUSA-N 461.519 0.898 30 20 JCED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1)C(=O)O 1779422207 VRWFGMAZHVIFIA-YTOZUOPGSA-N 454.524 0.092 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780399844 ZJSPEFXUEDCGNX-AOMKIAJQSA-N 462.503 0.527 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780701880 XVFWLDZPHVAWTF-UUOWRZLLSA-N 485.541 0.770 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780922480 JKMAGGFBDGZTKA-DEOSSOPVSA-N 486.594 0.865 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)c(C#N)c1 1781093943 DAVVTHCDWFJTME-KBMIEXCESA-N 469.586 0.575 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)[C@H]4CCC(=O)N4)CCO3)C2)CC1 1781169922 DTNARJRJVYZKDW-MZNJEOGPSA-N 489.573 0.636 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)[C@H]1SC(=N)NC1=O 1781298699 PVFFMOHEDCVLPZ-CYYCYGDNSA-N 473.530 0.872 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781424264 JGSVEFHQRLAECM-VGSWGCGISA-N 462.551 0.968 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)CC1 1781970657 CZBZLMUDWGSSET-HSZRJFAPSA-N 473.961 0.819 30 20 JCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1783197244 UCPFKZPFIINVIZ-LJQANCHMSA-N 454.499 0.933 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1783269074 WWOSAYQMANBFJK-QZTZHPFYSA-N 492.573 0.869 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783443499 QXDGWECDERDJNU-IWFBPKFRSA-N 458.515 0.535 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C[C@@H]21 1783530938 WWVPYXSNRHLXDX-UNQDASJSSA-N 496.608 0.726 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1783686208 IWVQYKSBDIAKCU-RUZDIDTESA-N 489.569 0.892 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@H](C)NC=O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784094375 WOPKAQXVKPKFLB-PNLZDCPESA-N 450.536 0.516 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784486747 NADISUBTIOGLLO-OKYOBFRVSA-N 469.579 0.835 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]3C2)c1 1784517856 HPSRQUIIZCRXEE-QHERXFFYSA-N 463.556 0.841 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376843 XPHQZIAXJAEHRZ-HRAATJIYSA-N 464.544 0.095 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1785596344 KEBGEENKXPRPGP-GAZXMLTASA-N 487.557 0.543 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785607586 SAIFSFJYWFDKPE-PONJGIIJSA-N 468.551 0.176 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1785631699 HGRIODRYNXNHAC-BTYIYWSLSA-N 451.524 0.050 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1786844718 ODKRRKCLTHPCHD-VJANTYMQSA-N 490.605 0.372 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cnnn4)[C@H]3C2)c(C(F)(F)F)n1 1787091318 IBECKJGRKXHTQH-CQDKDKBSSA-N 464.408 0.252 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1788569982 ILVHTDMEEZPFOA-VPAKFMSCSA-N 483.606 0.815 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=S)NCC)[C@H]2C1 1790575489 UKAIKPUFIOCUKM-XSLAGTTESA-N 495.646 0.367 30 20 JCED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791380366 YSGHBIVPEDMZCE-OYSTVDSJSA-N 493.605 0.125 30 20 JCED CCC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1792184068 DJKVOZVKYFRAKE-JTSAFBHLSA-N 452.552 0.800 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792636141 WMXYFWMKJFOPIJ-FZKCQIBNSA-N 466.535 0.582 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccnc1 1793146839 JJEYIFSZPYPXJB-ZSXDVEMLSA-N 459.547 0.950 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077334 DNECAMGTGVIWHN-NVEOKQIRSA-N 456.565 0.152 30 20 JCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)COc4ccc(Cl)cc42)C3)CC1 1795408182 QCQWSCWYRXBJJE-VTEUUUEMSA-N 458.902 0.959 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(F)(F)C(=O)O 1796353574 LKMZGBZBCRFANN-HLPPOEQASA-N 473.473 0.603 30 20 JCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2)[C@@H]1SC(=N)NC1=O 1796421931 JLCXOYDNHMYHCE-DKWZOFSHSA-N 455.540 0.493 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N(C)C(C)=O 1796450676 LSACSXXPLNAUMJ-GYFISPQKSA-N 466.579 0.912 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 1797246735 CMDDUEICXGUYNS-CFNVJGFXSA-N 455.555 0.515 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742812 DOZOJSLTXIQELY-MESABJQISA-N 491.589 0.974 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)N2CCOCC2)cc1C#N 1797809430 GVAXTEYAZRKSDH-RRZZWSPOSA-N 472.542 0.199 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-n3cncn3)c1)C2 1797815592 PYDJFLMXOWCFQB-BMDJJADWSA-N 468.514 1.000 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1799393771 OJCOZLOSCJKTRK-AVEIZBFRSA-N 469.583 0.619 30 20 JCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1800543101 NYPVZCBQINWBSW-NFFDBFGFSA-N 452.458 0.794 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1800739543 CRHDFOOHTCFISA-MGPGSEFLSA-N 469.604 0.776 30 20 JCED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)nc1Br 1800778049 WFEWNLHXUJRJRX-CULMDFNYSA-N 452.261 0.144 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1802159427 XFADFFSACPQZJX-YVSFHVDLSA-N 494.593 0.468 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C 1802159568 GBLSDSUKYYNVOA-SFNKJDCFSA-N 479.578 0.331 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1802496469 BPBYARFDIQSAGO-BDGDHSELSA-N 487.607 0.806 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)Cc3ccccc3C2=O)[C@@H]1c1cccnc1 1803215544 MODJQNZWFGTJLL-DFBJGRDBSA-N 488.500 0.791 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810488788 XMQWKTIOJFAFLP-HYARGMPZSA-N 455.523 0.129 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879047 DKLLCRAOCWDNAS-LAUBAEHRSA-N 474.514 0.717 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1814973417 XHSHIKGUNADMRK-CYBMUJFWSA-N 458.544 0.652 30 20 JCED Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)n(-c2cccc(=O)n2C)n1 1815855661 LRVPATBCAXTUNJ-ZDUSSCGKSA-N 480.506 0.650 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1820940580 JDBXLXJYZGAKHE-GJZGRUSLSA-N 463.491 0.766 30 20 JCED O=C1CC(C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCN3C(=O)OCc3ccccc3)C2)=NN1 1828572362 PXORNDAYMAZGCV-VWLOTQADSA-N 477.521 0.728 30 20 JCED O=C(CN(CCO)CCO)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828979057 RFDRPAGDECXTMI-ZOFUBUOUSA-N 468.595 0.422 30 20 JCED C=C(C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1)C(F)(F)F 1829313740 QUBFOLIMRNQATD-HXUWFJFHSA-N 471.432 0.868 30 20 JCED Cn1ccc(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)n1 1829332256 GKPDLNGSNNLCFC-RUZDIDTESA-N 493.520 0.503 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)C1 1829762286 CJETZPJWUNGERC-BJHDWPLJSA-N 477.558 0.281 30 20 JCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1829776426 APUYPRQSCVCUJU-UWJYYQICSA-N 459.609 0.763 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)c3ccc(OC)cc3)CCO2)C1 1830218670 PTPKRHBALKLRFN-ROKPMTFOSA-N 462.543 0.758 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CCO2)C1 1831109695 VBPHRACRAXWNCJ-RQNQAMLKSA-N 483.565 0.530 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831215366 JNJIWBCTHDKEIU-WZONZLPQSA-N 465.547 0.396 30 20 JCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218056 JOKBHAFOHMKVHC-OSPHWJPCSA-N 457.502 0.814 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831387890 SKVLDGOGEKFUAM-CYFREDJKSA-N 472.542 0.027 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1831490706 JFIMIIJOFMYRBS-CVDCTZTESA-N 476.599 0.901 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1832000831 ZBTVIGLBLGEZGY-WZONZLPQSA-N 492.577 0.594 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832424471 ZGNCPEQNWJSUQF-RUZDIDTESA-N 475.586 0.544 30 20 JCED O=C(O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)ncn1 1833488572 KHSDWUVBCBQKSU-HSZRJFAPSA-N 484.896 0.950 30 20 JCED O=C(CN1C(=O)CNC1=O)NC1CCN(C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1833676808 JSLVWKYBJUHRBN-ONEGZZNKSA-N 487.582 0.610 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102325 LBNPVBBBFYVHDO-GBXCKJPGSA-N 473.526 0.338 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)NC(=O)OC(C)(C)C 1835312124 LCNNNLOMEOXWLA-HOOSLVGPSA-N 494.589 0.581 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2)C1 1835640847 WNRGQLAPSVRAFF-PNCHPQGNSA-N 484.594 0.276 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1835643399 AWBRAGIIBOHFPJ-UZUQRXQVSA-N 479.578 0.379 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](N)c1cccnc1)CCO2 1835838328 PDAAMMXINSPIFR-SQJMNOBHSA-N 479.537 0.879 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1836034205 NPWCMDYHJUCJAI-DEOSSOPVSA-N 459.518 0.918 30 20 JCED O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)c1ccco1 1836126891 WIZAXXXYBLDQRQ-NFOSPISASA-N 487.534 0.966 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc4ncnn4c2)CCO3)cc1 1837163924 PCDXEFUMELMLIK-XMMPIXPASA-N 460.494 0.914 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837481262 FGZZMGVUGMRTDY-AUFWXUCVSA-N 456.503 0.446 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837492817 VPYZSRIRSDAOSF-DEOSSOPVSA-N 474.510 0.572 30 20 JCED CCc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1F 1837524305 FEPVKKFPRLVFDG-CXDMEPTKSA-N 467.498 0.710 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531084 BZVMLCINQNWUKA-VTGGFKIQSA-N 475.546 0.867 30 20 JCED Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1Cl 1838308319 KBZHSHYEBAFLMZ-QOOAHNBZSA-N 452.943 0.615 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(OC)nn4)C3)C2)c(C#N)c1 1839132812 RQDDVOGAKMHNCD-XMMPIXPASA-N 481.509 0.678 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1839185878 PDZZZPQPPCCQHB-WZONZLPQSA-N 482.578 0.438 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1839223144 NZZPDYXNYDFMQO-VFNWGFHPSA-N 478.575 0.899 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839435429 YBAIFLMQXOXKHL-WNWNSBFKSA-N 480.525 0.196 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839498732 OPIQUAFJQPXWFX-XQHLYRQSSA-N 471.514 0.933 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4c(F)cccc4n3)CCO2)C1 1839554836 KJZIIRXXIMTHPC-HSZRJFAPSA-N 472.521 0.825 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2ccnn2)CCO3)c1 1839709543 KRERWCCDFNYOCA-ZHRRBRCNSA-N 454.487 0.490 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cc3ccccn3)NC(=O)OC(C)(C)C)C2)C1 1839806971 JIFUMQKLEFFBKB-CYFREDJKSA-N 472.542 0.607 30 20 JCED COc1cccc(-c2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c[nH]2)c1 1840040945 HHFKWMKWBQRKEI-DEOSSOPVSA-N 467.478 0.848 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840042831 QEGGEBSTLBCBNW-MHECFPHRSA-N 493.557 0.568 30 20 JCED COc1cccc2c1C[C@@H](C(=O)N1CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)CC2 1840044309 CKBGBIAJWIDRGL-UUOWRZLLSA-N 456.495 0.345 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840078436 VVRUYMQWEZVFNW-JOCHJYFZSA-N 453.536 0.206 30 20 JCED CCOc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1OC 1840087192 MLWYSBHBHDKXSS-QHCPKHFHSA-N 460.483 0.181 30 20 JCED COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)C1 1840157395 NSEHKRUSRUMGSH-MWTRTKDXSA-N 477.583 0.542 30 20 JCED CCOc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cnc2c1cnn2C 1840159971 SKPCWZKZOHITFX-QKKBWIMNSA-N 463.560 0.755 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1840164566 APURUPYJFCELDG-WZOHSFFVSA-N 493.601 0.864 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1 1840716725 RJAVNYUIVKJPOC-BXKMTCNYSA-N 466.494 0.309 30 20 JCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)N1CCN(C)CC1 1840820167 BZEQUCZWXCWQCD-NBGIEHNGSA-N 485.585 0.029 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](COC)NC(C)=O)C1 1844387919 ISYXEZPONULGNM-IRXDYDNUSA-N 450.536 0.258 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1=O 26158634 FJIPRTNTSFVUGG-UHFFFAOYSA-N 465.919 0.088 30 20 JCED N#Cc1nc(C2CC2)oc1N1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 29228304 TUODIGOUTHWEPN-UHFFFAOYSA-N 472.571 0.942 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)cc2)c1=O 501761219 BWLVMUNWQXEZTK-UHFFFAOYSA-N 498.605 0.123 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc(OC)cc1 502015164 HLOWFIIHFAYFPK-UHFFFAOYSA-N 451.552 0.924 30 20 JCED Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)cc1S(=O)(=O)NCC#N 514456174 FZMDMTGGHCBEBX-SFHVURJKSA-N 461.588 0.956 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccc1 514644848 CGGZNDBDOAPOGS-UHFFFAOYSA-N 489.601 0.499 30 20 JCED CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 518129500 LYGQQQXNZFKDNU-UHFFFAOYSA-N 469.523 0.698 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 522284493 UQFNGCRONGJMNX-UHFFFAOYSA-N 457.508 0.465 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3C)c2=O)cn1 524233595 LAQVYKTYJJRQES-UHFFFAOYSA-N 462.531 0.973 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(F)cc2F)c1=O 604270072 ORMOLINHGAELRK-UHFFFAOYSA-N 460.506 0.838 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434370 JYVVZAOOMZKMOM-UHFFFAOYSA-N 472.479 0.041 30 20 JCED N#Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cn1 725816705 PCIXZJXNIJNWAS-UHFFFAOYSA-N 454.442 0.650 30 20 JCED COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 726726625 SPYZUBTXPSPBMT-UBJVEFMGSA-N 465.532 0.785 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1 729255664 ACFPCIBBGAOPDX-UHFFFAOYSA-N 475.615 0.702 30 20 JCED C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)c1 731130839 ZLOZUZFVFFKGDI-CQSZACIVSA-N 458.496 0.689 30 20 JCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 731233354 YDJGZLVSMAPYIO-UHFFFAOYSA-N 479.562 0.163 30 20 JCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 748669592 NDRUERHEUCLABQ-KRWDZBQOSA-N 480.550 0.921 30 20 JCED N#Cc1cccc(CS(=O)(=O)NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1 750418795 QVNQOPUTDPOGSD-UHFFFAOYSA-N 455.539 0.900 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)=O)CC2)CC1 1286891716 OCAGRRGWKMQXAF-UHFFFAOYSA-N 450.547 0.649 30 20 JCED C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300824810 XWPAMFRQOSJZNF-UHFFFAOYSA-N 495.386 0.440 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCSC1 1303642751 YMJIXSNLYNMBTN-MDZRGWNJSA-N 471.653 0.787 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)CCOC)CC1 1515991104 KXSYIAZHMJRUCK-HSZRJFAPSA-N 455.563 0.862 30 20 JCED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 1618465869 IMXFGBPMZMQALC-RXVVDRJESA-N 460.560 0.419 30 20 JCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1628992080 KVEJHTJBJBODAI-KRWDZBQOSA-N 454.574 0.499 30 20 JCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1666858265 VZQMJNRCBUDHCF-UONOGXRCSA-N 453.464 0.353 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1697307069 HXZMVXZIGNPLBE-QGZVFWFLSA-N 475.575 0.688 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C 1705689095 YDAHMTMPSOLZMR-QWHCGFSZSA-N 450.359 0.745 30 20 JCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1710348300 XNSKXEULDKGDFO-RXVVDRJESA-N 459.576 0.401 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1723935992 VBJGXXIMBPWRNO-MGPUTAFESA-N 463.539 0.989 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 1741056440 KYTNMRQFARPRDD-FQEVSTJZSA-N 471.587 0.604 30 20 JCED C[C@@H]1COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1763236132 XPYLAXLPKXTDFV-AEFFLSMTSA-N 467.596 0.072 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nnc3cc(C)nn3c2C)C1 1778555375 DVLAAJGUKALGLW-YZZKKUAISA-N 454.531 0.907 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1 1779105143 RAYJWMOWPVFROF-OCNXCNKESA-N 493.582 0.992 30 20 JCED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1779399996 HRBCGKAPJYGEKZ-TXTKFYIRSA-N 468.547 0.978 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779698794 XVKPMPQFQBOGSY-VGOFRKELSA-N 460.487 0.812 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060473 AKBLQMUMTYUEST-VJIOCRDPSA-N 470.486 0.062 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780935026 HNJLQOLFSOVGMV-OXJNMPFZSA-N 452.602 0.676 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c(C#N)c1 1781174798 UQRHNRMAYCAIHI-VWLOTQADSA-N 477.521 0.764 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)[C@@H](O)C1 1783478438 JIJWGOLBMYECBK-SSTJLMRISA-N 475.586 0.997 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@]34CCN(C(=O)OCc3ccccc3)C4)C2)C1 1783515075 XNSBHZWSYZMDFJ-LIKDZFNVSA-N 495.532 0.953 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccc4sccc4c3=O)C[C@@H]21 1783529190 GUGXBKQAXOLDPF-UOSUDSKPSA-N 484.578 0.901 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783769224 YXKIVBLZZBHERY-IQMFZBJNSA-N 488.545 0.488 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1784784302 HKUWEHXCVINJDH-FJIDUMEYSA-N 487.619 0.870 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1785571489 CBKSDFCTKSABBC-GAJHUEQPSA-N 457.531 0.766 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1785576115 HZQBJUCJSOHXAX-MBSDFSHPSA-N 459.547 0.938 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cncn4)C[C@@H]32)c(C(F)(F)F)n1 1787199737 ZBZSQWBSMUKBIH-RCBQFDQVSA-N 463.420 0.857 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4ccc(C#N)cc4)C[C@@H]32)CC1 1788190538 HKENFIMOMYUTJJ-VABKMULXSA-N 453.587 0.718 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788661378 OMOMAIQNMQWHKK-ZVNUAYGVSA-N 455.508 0.111 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1 1789968469 KOLVPOCDKOMKRO-XSLAGTTESA-N 462.551 0.727 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C(F)(F)C1 1791078389 YGILJKWXVLNMGK-NXOAAHMSSA-N 499.511 0.946 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1793084781 OIIUPWYTTXSIJI-ZIHPPQKVSA-N 498.577 0.381 30 20 JCED COc1ccc(Cn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)cn2)cc1 1793996585 SJVPKINJLRJSHQ-NHKMSHSESA-N 466.494 0.160 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794204878 DBZIQJWKDMZLTI-XFIYOXNOSA-N 463.535 0.692 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOC 1795355345 XSTPDNOSWHSXEY-RCLSDMTESA-N 481.590 0.936 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1Cc3ccccc3C1=O)C2 1795598093 DSGYDJKJLSWMGH-HATOLVCRSA-N 467.570 0.904 30 20 JCED Cn1ccc2c(O)ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)c21 1795599462 KOXVTUOSBWMLNR-JLVBRIDZSA-N 454.531 0.764 30 20 JCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1795893601 FJJHTCDYCWLSKG-RVDAZCDBSA-N 481.590 0.929 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]1NC(=O)OCc1ccccc1 1799092219 MZXVJPJUVFNFRP-RUIUOMPFSA-N 483.521 0.759 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S)C(C)C 1800988853 WHZYCVDWCIMWPG-IYYNEKPFSA-N 484.619 0.266 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801052327 KSTDZPLDHCDTDX-YGBCKFAYSA-N 482.578 0.749 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1808452949 WANHHPUXNXGEPC-QFBILLFUSA-N 460.487 0.140 30 20 JCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815850912 CJVICHVMDNGNHO-MNOVXSKESA-N 463.541 0.559 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818895609 XIHUYRXIFOCJLC-MAUKXSAKSA-N 463.604 0.792 30 20 JCED N#CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)n[nH]1 1821780983 UPOFCFMMJFPXLM-AEGPPILISA-N 459.532 0.496 30 20 JCED CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4ccc(C#N)cc34)sc2C1)C(=O)C(=O)O 1823893361 WKQAQVQHOUFKHL-LLVKDONJSA-N 481.494 0.660 30 20 JCED O=C(C#CC1CC1)N[C@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)sc2C1 1824807860 GNBSOSMWVWCTBI-CWRNSKLLSA-N 487.607 0.649 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN(C)C)C2)C1 1828494615 RNUIKGJLARGJLR-SGAGCNABSA-N 497.596 0.859 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1829260012 CHIPAUAVJUZQFT-HOYKHHGWSA-N 454.527 0.986 30 20 JCED CN1CCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)C1 1829334247 FQKBFSGJRTVDKT-RLWLMLJZSA-N 496.564 0.868 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccc(OC)cc3)C2)C1 1829762424 KAFWOHJYMDQFRR-BEOFEIHASA-N 473.526 0.043 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1829763955 GNGGLMSKTUCHSQ-CVUHLLMESA-N 492.536 0.467 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829903940 GDOOIZUKJGDCGL-HOYKHHGWSA-N 464.526 0.848 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1831387892 SKVLDGOGEKFUAM-NTKDMRAZSA-N 472.542 0.027 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1831397363 RKUFQDSPHYWSBN-FDDCHVKYSA-N 483.562 0.022 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1831404597 QUNBMJMNGNJENA-NTKDMRAZSA-N 499.605 0.701 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1831405536 CWNLONHHYDTVHC-XDHUDOTRSA-N 490.557 0.432 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1831433038 DSYHWSUCGDTLTQ-CROMWVBPSA-N 450.532 0.789 30 20 JCED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831466187 OJWDEDNNXXFEMB-DEOSSOPVSA-N 456.543 0.862 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1831770800 IGNWDNSGIAVSJW-KSFYIVLOSA-N 461.519 0.396 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1831999954 FCRQSWAEBVEYDX-NXMSCROESA-N 494.589 0.533 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832819925 ZYLROGLLPOOKAP-DVECYGJZSA-N 489.573 0.715 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833146695 ZPQLAWDSDLSEDM-SFHVURJKSA-N 465.595 0.993 30 20 JCED CN(C)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1833661057 KGSSEJGTEFWWKC-HSZRJFAPSA-N 458.563 0.499 30 20 JCED COc1cccc(N2C[C@H](C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)CC2=O)c1 1835339470 ONYPPDBVGKXSTB-CJAUYULYSA-N 482.537 0.808 30 20 JCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CCOC1 1835346117 RAWXFPSXCXISTB-GOTSBHOMSA-N 478.546 0.430 30 20 JCED Cn1ncc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)ccc21 1835677755 WOTMPQDEXJXJQH-DEOSSOPVSA-N 468.558 0.925 30 20 JCED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1)C(=O)O 1835756096 CJWCMKQHHLDOKT-FOIQADDNSA-N 499.446 0.105 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836259616 IKVJVADLQJXJDM-XOBRGWDASA-N 452.533 0.120 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1837399669 ZCUXUNRRDVEYMC-MZNJEOGPSA-N 471.510 0.465 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1837427314 OKALDHFFXIZYPG-LAUBAEHRSA-N 451.596 0.602 30 20 JCED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn2[nH]cnc(=O)c12 1837490650 JYKSLPMBVIZOCL-VWLOTQADSA-N 497.552 0.100 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cc1 1837560346 OAHXBVKHYJTXOP-INXSEKFSSA-N 471.510 0.897 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CSCSC1)CCO2 1837574081 OAOQABOVMSUSBO-UTKZUKDTSA-N 487.644 0.995 30 20 JCED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837743753 SIKUHHXZPAMWSQ-FIRSQWHBSA-N 475.546 0.867 30 20 JCED Cc1cc2nnc(C(=O)N3CCC(OC4CCN(C(=O)C#CC(=O)O)CC4)CC3)c(C)n2n1 1838221678 SNIRFZCLQHCOOP-UHFFFAOYSA-N 454.487 0.441 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(C)c1Cl)CCO2 1838304578 WEILNTLKMPAMKJ-BBIZLLLXSA-N 451.911 0.002 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)c1 1838580899 VYJIWBWKRLFYFS-JOCHJYFZSA-N 453.455 0.446 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc5ncnn5c4)CCO3)C2)cc1 1839049323 QYVIHPWAMBYILV-DEOSSOPVSA-N 460.494 0.914 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1839212723 IHNQSFWLKLLZRJ-CVDCTZTESA-N 459.930 0.769 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOCCOCCOCCOC)CCO2 1839220495 PNUZOLBSPGSDCN-DEOSSOPVSA-N 484.590 0.333 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839387233 DQPFWPDPXFCKTO-JPYJTQIMSA-N 474.514 0.471 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839624499 KCRCNNMCIZXOAX-VFNWGFHPSA-N 462.482 0.739 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2)c1cccs1 1839781983 KQSOARMTLBYLMG-DPTMFGANSA-N 482.580 0.521 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1)NC(=O)OC(C)(C)C 1839862000 PEBLKFDYUMTBNY-MBSDFSHPSA-N 482.578 0.438 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1840384639 FAZNVSBXZPZRSM-GWYVQQBTSA-N 463.535 0.649 30 20 JCED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840425931 HWIPXMHWJHMNPB-MHPMKTAKSA-N 476.530 0.834 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)cc1C#N 1840763704 NCDVTYUQHPXUQT-CYFREDJKSA-N 470.526 0.552 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1)NC(=O)OC(C)(C)C 1840795854 GGFUYZOZZVNDFS-IMWIBFENSA-N 478.590 0.830 30 20 JCED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819632 XIJPYDHFJDQUIJ-UZUQRXQVSA-N 458.515 0.260 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1840844482 YJYUULHSZHGXNM-DFBJGRDBSA-N 491.585 0.882 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1)C(C)(C)S 1846000792 CLDHFHIWFISLHN-UKRRQHHQSA-N 454.593 0.928 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1847102414 ZSWKFAYDTVVFJC-HNNXBMFYSA-N 462.551 0.835 30 20 JCED COc1ccc(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1S(=O)(=O)N1CCOCC1 27133646 KWBJBVPAKJYWAQ-UHFFFAOYSA-N 485.566 0.874 30 20 JCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 515918272 VXTHLOFBRXZULE-LJQANCHMSA-N 465.514 0.719 30 20 JCED N#CCCN(C(=O)CCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 521785252 SQLCODVEJAPDBE-UHFFFAOYSA-N 453.499 0.533 30 20 JCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCNS(C)(=O)=O 524281042 CQBGBRHDPJYLGI-CQSZACIVSA-N 475.592 0.512 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)cc2)c1=O 603796796 POSKTILYXJJQSJ-UHFFFAOYSA-N 460.987 0.925 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(=O)N(C)C 604270416 YJBVFHFIPTYOGU-UHFFFAOYSA-N 477.384 0.790 30 20 JCED COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 726577935 YYQZCZDQMPJMHT-UHFFFAOYSA-N 452.517 0.641 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(-n4cncn4)c(F)c3)c2=O)c1 726579173 ZBNXLOVMKYGCLT-UHFFFAOYSA-N 470.489 0.849 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)s1 731204235 BTBDZSFKNJFVTC-UHFFFAOYSA-N 465.622 0.704 30 20 JCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 838249608 AKUQPFHHRHKORK-CYBMUJFWSA-N 493.969 0.635 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CCOC 838250841 OAPFGAVTBVTCPV-UHFFFAOYSA-N 493.969 0.637 30 20 JCED CCc1ccc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3cnn(C)c3)c2=O)cc1 839250491 JRBDRUHJNAXLQF-OAHLLOKOSA-N 451.552 0.849 30 20 JCED C=CCn1c(S)nnc1Cc1csc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 912733028 HOBCNZLAILBGNK-UHFFFAOYSA-N 473.544 0.186 30 20 JCED CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 918817281 DPRKQUQPRSTIQU-UHFFFAOYSA-N 490.523 0.238 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2cnn(-c3ccccc3)n2)CC1 919337837 MKLKFCYQNGZGIC-UHFFFAOYSA-N 494.533 0.758 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1288254290 HDJCQXNVNQJYPF-DEOSSOPVSA-N 483.573 0.527 30 20 JCED Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)CC2=O)cn1 1298834123 JMHOQAZREYJAGS-UHFFFAOYSA-N 454.516 0.448 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCC(=O)NC 1359084856 UTAZOQOTQNLCNK-CYBMUJFWSA-N 479.401 0.482 30 20 JCED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 1503405407 JDMMRXLHWNCWSW-WBVHZDCISA-N 494.599 0.359 30 20 JCED CCN(CCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)S(C)(=O)=O 1547575986 NJXJYNLPFLAIEK-FQEVSTJZSA-N 489.650 0.988 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](N1CCOCC1)C(F)(F)F 1611659190 NQPCCMBGVMMGKG-HZSPNIEDSA-N 467.518 0.890 30 20 JCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1618842511 VLASZWJXNULZGZ-LJQANCHMSA-N 459.576 0.667 30 20 JCED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690327089 JLODDEMGMURGDA-HNNXBMFYSA-N 460.988 0.800 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1692784630 OJLGJUYXDZFLNQ-KDOFPFPSSA-N 458.610 0.843 30 20 JCED C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccco1 1692813730 LKUCZCZANGJSRW-JXFKEZNVSA-N 464.548 0.852 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)CC1 1695930341 IGKXZVRUKGQWSH-UHFFFAOYSA-N 477.573 0.966 30 20 JCED CN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696589088 PIEHHRJKEOVGGC-QGZVFWFLSA-N 457.560 0.613 30 20 JCED COCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1697729820 ZOKTZUCCNBCTLY-ZWKOTPCHSA-N 481.623 0.460 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(-n2cncn2)c1 1706872572 YVYRGDJDIHBEHR-AUUYWEPGSA-N 459.511 0.959 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3CC(=O)NC(C)C)CC2)c1C#N 1725862920 MZJYNTKMXBXXPL-UHFFFAOYSA-N 468.566 0.279 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CNC(C)=O)C1 1749086767 NZDNYMJPEFHPOJ-WCQYABFASA-N 465.374 0.138 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)C1 1771361064 JLCFECIIFQYOGB-MPGHIAIKSA-N 490.583 0.020 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779140166 UKYITWUAEKLGPX-RQPHDYGFSA-N 478.546 0.804 30 20 JCED COCCOCCOCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780698212 KEBIHRHINKFGLN-DEOSSOPVSA-N 475.542 0.698 30 20 JCED CN(C)C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781169885 CHFFXWAJQXHITD-HSZRJFAPSA-N 477.562 0.445 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1781293741 APVMHKHPURLXQC-MFSJNOQSSA-N 496.605 0.326 30 20 JCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015759 ZDIJCMJGMJTPFT-CKNGIIGNSA-N 477.514 0.514 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782018100 LEVNPPNDFZEFII-SEPYTNNBSA-N 463.531 0.988 30 20 JCED CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783113109 IKAZEVHCSLQZBW-XCGNWRKASA-N 451.520 0.892 30 20 JCED Cn1c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc2c1-c1ncccc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c1csc3c1c(=O)n(C)c(=O)n3C)CCO2 1785424741 KHOWGRQKBKCFLD-JOCHJYFZSA-N 458.540 0.085 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785669527 LBIFMAPGRHPNJG-QVKFZJNVSA-N 470.592 0.214 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OCF)cn3)[C@H]2C1 1785688834 AAVBWUBFZBSIES-ZOBUZTSGSA-N 450.467 0.885 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789881339 JUYHUZZXFXLWGI-BCYZHJNNSA-N 466.579 0.960 30 20 JCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791279545 LHSBXYDPPGJOJL-XSLAGTTESA-N 481.594 0.884 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1792223530 OOPKDKLEOQBPDG-OVWQWFNUSA-N 466.535 0.726 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1792488503 FPNATPQUMAZWIX-VCNBQAEXSA-N 492.573 0.070 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1792562408 ZCVIAJVRIAGZNT-SOCFIORRSA-N 450.536 0.369 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)C2 1793340355 TWECUKMFAZNKLS-HZKQSDJQSA-N 477.583 0.290 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(F)c(C)nn1C 1794497713 IVYMCEMOORYHEV-DFGXFYAUSA-N 477.537 0.987 30 20 JCED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)cc1C#N 1795732891 QRCLDWOEXBMJQN-UPHUGPLXSA-N 491.508 0.593 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N(C)C(C)=O 1796458733 GQKJBSSTMIMJNQ-RDARFFOLSA-N 478.590 0.912 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1799303941 DQJDNIOYMNGPLE-VPTLXERWSA-N 457.483 0.730 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1800944846 HODWCKYONOVLSH-RBZJEDDUSA-N 493.648 0.222 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N1[C@H]3CC[C@@H]1C[C@H](NC(=O)CC#N)C3)CCS2(=O)=O 1801911699 WKVKGXBFYPXGLV-YYIAUSFCSA-N 480.587 0.962 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CN3C(=O)CSC3=S)c2c1 1802107743 SXLRVHZXBBVNQT-IVWMJMPLSA-N 484.563 0.498 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cn[nH]c1)C2 1802124664 GVBZDJABJDASRK-AJYBTWMASA-N 459.547 0.849 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)c1ccccn1)C2 1802127792 RVPIQSLYBUNGEG-ZRSLWSEBSA-N 471.558 0.588 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1803900046 BIRYALVPYQTATN-YDZRNGNQSA-N 460.579 0.843 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808469241 LBWUZISLGIPRSP-SBUREZEXSA-N 459.462 0.968 30 20 JCED NC(=O)c1nccnc1C(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810291571 HYPHEGXEISCFCV-TWPZUGSMSA-N 464.530 0.762 30 20 JCED CCOC(=O)c1ncn2c1CC[C@H](C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C2 1812439022 UMMGIQDGGWZIQM-IEGUWTFLSA-N 493.520 0.811 30 20 JCED C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1812526411 AMPRCUVZNRDEET-QWFCFKBJSA-N 485.589 0.877 30 20 JCED COc1cc(N2CCC(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)CC2)ncn1 1812872851 IBTPHTAYWFOJCD-DVECYGJZSA-N 492.536 0.891 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816945 OHGQMICECMPEBA-INIZCTEOSA-N 488.468 0.792 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN(CCO)CCO)CC3)c1 1821388972 QKRIUDGQMQVBNJ-MRXNPFEDSA-N 473.555 0.536 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824768350 RAYVMFNYOLVJHC-LIXSYLKWSA-N 456.543 0.780 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1828579897 JOWFAQSPABVBBS-DFBJGRDBSA-N 484.553 0.613 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1828806631 XVOKCHUUZIEGQZ-WZONZLPQSA-N 453.499 0.631 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCN2C(=O)OCc1ccccc1 1829136944 WUNOHHASIUIUSV-DVECYGJZSA-N 464.526 1.000 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1829768534 AQRIHUXSRBIOMU-BBIZLLLXSA-N 451.911 0.002 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830959801 FUOPFEVSFOKRDP-YADARESESA-N 489.573 0.945 30 20 JCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1 1831218741 DNPUQOCDTJTCCD-QFIPXVFZSA-N 464.515 0.713 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1831425620 BLVAAVUFMWGBOW-KSFYIVLOSA-N 476.555 0.726 30 20 JCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831693366 XMXYMZIYPUWVMJ-GFVLEISASA-N 468.551 0.134 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1831998772 SIXXUHKHGYOVFY-WZONZLPQSA-N 477.562 0.809 30 20 JCED O=C(c1nn[nH]c1C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832192426 VNDFGAZRLNQWSC-ZDUSSCGKSA-N 463.310 0.794 30 20 JCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)on1 1832568749 PXBCNWMNUXVOHE-YITPPGKRSA-N 450.492 0.511 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833224606 DPQVOBFPZWTCTM-AOMKIAJQSA-N 478.550 0.355 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833564429 ZEDPVHCHTRAAIX-GHTZIAJQSA-N 485.628 0.651 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncn(C)n4)CCO3)C2)c(O)n1 1833878178 LPIPDJZGEAAUTJ-QFIPXVFZSA-N 456.503 0.418 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)C1 1834402414 MOAMJICHHQTZMV-RTBURBONSA-N 463.579 0.699 30 20 JCED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834973251 JGLQEIHEHPGOHD-UHFFFAOYSA-N 454.535 0.191 30 20 JCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)no1 1835099992 ZOQTXRWPFXJDNE-DEOSSOPVSA-N 466.494 0.820 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO3)C1 1835641664 QJDBRZMKJLDLMH-JPYJTQIMSA-N 466.579 0.651 30 20 JCED COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835667359 DLIMAZALIDONHA-HYBUGGRVSA-N 474.558 0.467 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835768984 IHVRVNKOTHBQFA-MQQGDBGKSA-N 480.610 0.795 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835795182 MKFAGTJIPFBRHM-KRWDZBQOSA-N 452.559 0.580 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccoc1I)CCO2 1836262717 PWMXNGWRYVBRIP-KRWDZBQOSA-N 488.234 0.042 30 20 JCED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836320679 JDENPYFUEVJNQO-OAQYLSRUSA-N 497.474 0.910 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](C)S)C4)C3)CC2)CC1 1836727547 LJIFXIHTFGMRRD-KOSHJBKYSA-N 496.674 0.484 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)cc1C#N 1837367739 SOIBWVKSSXMSNT-QHCPKHFHSA-N 469.498 0.291 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1837402257 AGXTWFUSVORQSO-GBXCKJPGSA-N 469.542 0.910 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1837405705 ZKAUEJVBAJBZBB-RZGDIKBMSA-N 476.526 0.846 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2)NCc1ccco1 1837443516 FBAPYUTVSNOAMP-ZBZLEAMPSA-N 487.557 0.380 30 20 JCED CC(C)n1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837491709 WCJTZGFLSWLHDY-HSZRJFAPSA-N 459.547 0.628 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524497 BXKVBADEAXTOEX-GSYMPFBVSA-N 468.551 0.278 30 20 JCED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524498 BXKVBADEAXTOEX-GWYVQQBTSA-N 468.551 0.278 30 20 JCED COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c(C#N)c1 1837882378 YZVGBKJZLXLLBR-JOCHJYFZSA-N 485.585 0.701 30 20 JCED Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1838216185 GLANXKRBSJCFCT-QHCPKHFHSA-N 461.482 0.917 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)NCc4ccco4)C3)C2)c1 1838737924 FWIANZLODMFAAC-CRTIWDKESA-N 467.482 0.422 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CCO3)C1 1839108571 KKKDMQKULUQAKH-IMWIBFENSA-N 479.574 0.637 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(O)n4)C3)C2)c(C#N)c1 1839131643 QDOUSMNDZOYUTC-DEOSSOPVSA-N 466.494 0.980 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)c(C#N)c1 1839131848 CMNIJRMZEZNWTP-VWLOTQADSA-N 496.520 0.589 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)c(C#N)c1 1839131889 FYMVGBXNZSZEBE-NRFANRHFSA-N 481.452 0.676 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NNc3ccccc3)C2)C1 1839172695 XCNITYUJPISXIK-YADARESESA-N 474.558 0.957 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)ccc1F 1839186550 BFJFZQYLENVLQH-QFIPXVFZSA-N 455.446 0.506 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1839226431 OJUXZIFQECGXNS-ZOCZFRKYSA-N 472.539 0.087 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839227755 XORIOCUOMYCBLJ-KHLKKOTKSA-N 454.524 0.773 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839237499 MPKUDVJOIVLMDJ-MBSDFSHPSA-N 492.577 0.594 30 20 JCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)cc1 1839362589 BRCJVUQEKIJQGE-QHCPKHFHSA-N 465.466 0.625 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cn5ccccc5=O)C4)C3)c2c1 1839487749 GFFSNBGUDMDFKV-XMMPIXPASA-N 476.493 0.366 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCN5CCOCC5)C4)C3)c2c1 1839487950 NLFSKFNWZCKCQA-DEOSSOPVSA-N 482.541 0.227 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)Cc4ccnn43)C2)C1 1839806943 IJJJFDRINOYSIU-FDDCHVKYSA-N 473.530 0.265 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)C1 1839811615 FDWMBPHAXOBHNA-HSZRJFAPSA-N 493.557 0.316 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1840011221 RXSADARAKOUPFX-NRAIQUKZSA-N 479.574 0.901 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)cc1 1840106824 ZVONQTSBNOCXNF-XMMPIXPASA-N 454.527 0.835 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819901 MXMOTESPLGHHCX-RDPSFJRHSA-N 457.527 0.967 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](Cc1cccc(F)c1)NC(C)=O)C2 1841056661 YNYCWIGZRZPXFH-GWQNQTGSSA-N 456.518 0.935 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845014323 VOTKMQFYWISQCT-AWEZNQCLSA-N 475.571 0.846 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2ccc(C#N)cc2)n(C)c1=O 1847210859 KDDKBOKJHOVTAF-OALUTQOASA-N 489.536 0.140 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1847240189 ZSDROLYEEYPSFC-JAYGYPRLSA-N 476.574 0.665 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)O1)C(C)(C)S 1847851771 RGWUWEMERCHPFY-XDQVBPFNSA-N 456.565 0.898 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 523252367 JBEPIFBXKGDLGV-UHFFFAOYSA-N 476.558 0.826 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(=O)N(C)C 604472885 VTIJOHGSQVKJNP-UHFFFAOYSA-N 450.923 0.820 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cc(OC)c4c(c3)OCO4)c2=O)cn1 608883723 BJZJTSSLBUTBSD-UHFFFAOYSA-N 492.513 0.822 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(C)(C)CN(C)C 608912177 PAWBQIPLVSHZMD-UHFFFAOYSA-N 460.575 0.902 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 728535051 WLJFQWNRZSANAN-KRWDZBQOSA-N 450.536 0.120 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 728536094 JJJBLZBZGVBMJK-UHFFFAOYSA-N 450.536 0.120 30 20 JCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC1 728573490 YBVBANRCHZKNEF-CQSZACIVSA-N 451.449 0.746 30 20 JCED C#CCNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 820135063 YOGNSUAXZWZHJF-OAHLLOKOSA-N 450.513 0.930 30 20 JCED CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1=O 915382742 XEVZUUAVBPJGST-UHFFFAOYSA-N 480.481 0.243 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CSCC#N)CC2)cc1OC 915386286 HJGPQVOKLRUFNN-UHFFFAOYSA-N 457.530 0.337 30 20 JCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)c1 918279888 NUUGIADOFOCIPX-HAVVHWLPSA-N 487.604 0.274 30 20 JCED CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 919247853 RHDJJXZHKNYWTE-INIZCTEOSA-N 491.526 0.812 30 20 JCED COCCn1cc(N2C[C@H](C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2=O)cn1 1156592251 RFOBKOXTOSDDEN-QUCCMNQESA-N 450.499 0.671 30 20 JCED CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1316345913 UUHCZWARDRSIKV-MRXNPFEDSA-N 459.532 0.377 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 1446145245 ZQJTXCQNXFLDFT-NVXWUHKLSA-N 457.535 0.901 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1466973867 USGMKZNDOYYPQC-HOCLYGCPSA-N 452.533 0.977 30 20 JCED N#Cc1ccc(N2CCN(c3nnc(CN4CCCC4=O)n3CC(=O)NCC(F)(F)F)CC2)nc1 1555991839 YERNMXABDQBUJC-UHFFFAOYSA-N 491.478 0.672 30 20 JCED N#Cc1ccc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)nc1 1641568952 MIYBBZQBGZSJJJ-UHFFFAOYSA-N 454.556 0.608 30 20 JCED CN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)CC(F)(F)F 1696816872 ULJHYGBXYOTKIY-CZUORRHYSA-N 483.492 0.547 30 20 JCED CC(C)(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722884143 YVWVSUYZWNKOOD-QGZVFWFLSA-N 465.562 0.985 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(S(C)(=O)=O)cc1 1760697460 ZSARAWVBISVTRJ-CRAIPNDOSA-N 496.615 0.659 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766945761 REJDMAJCKQEJNR-LJQANCHMSA-N 454.560 0.885 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781252706 SVBJHCLRGZDKGI-JLHGSKIFSA-N 452.552 0.810 30 20 JCED COc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc(OC)c1OC 1782011167 OIZOXADAKINGIS-NTKDMRAZSA-N 474.510 0.857 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NNC(=O)C1)C2 1783267976 AOVJHBFDMVMDSB-XSSDXNQZSA-N 475.546 0.293 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(NC(=O)OC(C)(C)C)cn1 1783558236 VDHRXLHAKAMUQP-HSZRJFAPSA-N 488.497 0.969 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783932898 JQAHYVOUCIDEFI-VBICKZDXSA-N 495.573 0.902 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CNC(=S)NCC)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784094571 ZRTLBZIJNCQIHI-GAJHUEQPSA-N 495.646 0.866 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)OC)C3)C2)N(C(=O)OC(C)(C)C)C1 1784264144 PTKCJIHOHIPDJB-KSFYIVLOSA-N 466.535 0.738 30 20 JCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784381883 FSWTYESYGRHMON-ACRUOGEOSA-N 493.601 0.937 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C[C@@H]21 1784482075 FGMMNHQFDZBIOS-VMXHOPILSA-N 467.563 0.544 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1784493092 LDAPVGIDDVPYKX-LNLFQRSKSA-N 462.503 0.719 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)NC(=O)OC(C)(C)C 1785304557 IWIYQYVRPYQRBU-JTSKRJEESA-N 462.551 0.968 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785377945 WAYVPPJUDSSIJI-KOSHJBKYSA-N 488.541 0.653 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786693329 LMBGUVQIYPURHN-KVDGMFCJSA-N 496.630 0.932 30 20 JCED O=C(CNC(=O)c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1787082205 KRRULNICURCASZ-BJLQDIEVSA-N 457.527 0.688 30 20 JCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)[C@H]2C1 1789702764 IOGWPLBJNNPQRJ-JURCDPSOSA-N 480.612 0.139 30 20 JCED C[C@@H]1[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CCN1C(=O)OC(C)(C)C 1791079270 ARPCWJWUTCJBAH-WKULXVSPSA-N 463.531 0.700 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)NC(N)=O)C[C@@H]21 1792268007 REHFKSAULIVODP-GMOHSKTFSA-N 493.605 0.882 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1793345857 SWSTWYARAQBZCU-HVRFAWQISA-N 465.547 0.298 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797657385 QMEVMOQOFWMYHC-ZSBFGKGUSA-N 455.389 0.632 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)C2 1797709849 NGPYNHCTAWSUIL-NGKOCFBJSA-N 495.617 0.910 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 1798582113 WWZZDWLAXWTUQC-SCTLLDFMSA-N 468.510 0.468 30 20 JCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1799247891 LUNOKPUGTGHAFC-DFGXFYAUSA-N 478.546 0.726 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=S)NCC 1800183265 HXYMSZUHVGVOLB-KYHPRHEASA-N 483.635 0.529 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C 1800825363 MHRNQLWGPJAEBF-BDEKUHOQSA-N 481.590 0.928 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1803547632 MVPNYTCKWNYMLI-SLYNCCJLSA-N 462.572 0.551 30 20 JCED O=C(NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806084024 SFESFMSOXSROEP-ZZXHSXFOSA-N 478.557 0.813 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n[nH]1 1818814185 XQZSNWNTLDCZLJ-JTHGQSKGSA-N 492.602 0.932 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)N2CCN(C)CC2)n[nH]1 1820783041 NWAZOOHTXJUKPR-KTUYXQPPSA-N 457.579 0.896 30 20 JCED C=CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 1826050739 RAVSHOSRXNJDPA-NSHDSACASA-N 457.516 0.079 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCN2C(=O)OCc1ccccc1 1828627163 ZCQVRXFOOUAZFV-XMMPIXPASA-N 483.525 0.566 30 20 JCED CC(C)NCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828996549 CYNNJQUQZOLFAJ-RUZDIDTESA-N 484.553 0.915 30 20 JCED CNC(=O)CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCN2C(=O)OCc1ccccc1 1829340874 RUOGHEOPWKJPEL-ZHRRBRCNSA-N 462.572 0.893 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1829461316 ROIDYICSBRWAFP-QHCPKHFHSA-N 465.514 0.539 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1 1829956766 SBCAIYWEAVFSJT-SBUREZEXSA-N 456.499 0.163 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1830061614 OMCBFWOXWSCJKN-OAQYLSRUSA-N 467.519 0.849 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1830884151 QIYSTUIKIBBSON-HRAATJIYSA-N 454.524 0.022 30 20 JCED COc1cc(N2CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)C#N)C4)C3)CC2)ncn1 1830957638 MWVWFNLUKSEQQS-DEOSSOPVSA-N 486.573 0.708 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831038571 OAZDNIRUAYWSGE-KOSHJBKYSA-N 497.589 0.759 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1831420510 VYESMLLZGIMBDL-NTKDMRAZSA-N 499.605 0.965 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1831493140 OKKXDUBMAWMSFR-JXFKEZNVSA-N 466.585 0.780 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831598065 PCIOLSMMEOELIA-DGGJZMOXSA-N 482.578 0.424 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832212836 ZKSJYBRAICKDAF-VWLOTQADSA-N 490.520 0.838 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1834716638 HAWMLYOYEMHRJC-UHFFFAOYSA-N 470.578 0.043 30 20 JCED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1834856562 QSCSCIIIGJVIHI-QHCPKHFHSA-N 459.499 0.519 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)nc3O)CC2)CC1 1835068908 CDRROVJQLVTLSC-UHFFFAOYSA-N 459.551 0.355 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCO2)c1cccs1 1835395141 DYMXFGQBRDDSDD-SIAOZKNOSA-N 463.556 0.276 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1835646003 OHLWPHABILFKJS-HSZRJFAPSA-N 487.557 0.573 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1835677134 IYUWCWMLUAZFKU-HSZRJFAPSA-N 454.531 0.915 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1835677375 PFEFLMUUMKSYOF-QHCPKHFHSA-N 454.531 0.686 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169308 JCYATQDYMGBLFQ-INIZCTEOSA-N 478.557 0.680 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1837268802 WPJOCWGOMGYAHJ-UHFFFAOYSA-N 463.512 0.185 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1837304301 BOKQIWIOXRCHIZ-SIKLNZKXSA-N 469.604 0.637 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)cc(C(F)(F)F)c1 1837366242 QFZZVWIPGFYZDE-HXUWFJFHSA-N 479.415 0.523 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1837403877 VCNLNJCWHAJVFG-GBXCKJPGSA-N 475.542 0.994 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1837428966 PAGBVAOUNJJDAA-AVRDEDQJSA-N 466.655 0.087 30 20 JCED O=C1Nc2ccccc2/C1=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837443974 OCDHQAKMGOGMCV-QCVKOXIASA-N 481.553 0.950 30 20 JCED CCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527846 YBADOGCLCPZMHW-CMEFWWCBSA-N 450.492 0.836 30 20 JCED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c(C(F)F)n1 1837528176 ABNAXYNQHGBGGY-FBNUVLADSA-N 485.488 0.957 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1)c1ccccc1 1837616646 KVNJSBQDCFFDOD-IBVKSMDESA-N 491.548 0.843 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1ccccn1)CCO2 1837735239 IOUIIZYRGLPDBG-PWPXAWQVSA-N 457.531 0.197 30 20 JCED Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838078411 NKTFOHRDOOCKME-FQEVSTJZSA-N 486.495 0.791 30 20 JCED CN1CCN(CC(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)CC1 1838285392 OHESLJFDGFEGHR-NCELDCMTSA-N 462.639 0.704 30 20 JCED Cn1c(=O)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c2ccccc21 1838737341 PTGWFSUDKZCIQA-XMMPIXPASA-N 478.509 0.310 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)Nc3ccc(F)cc3)CCO2)C1 1839028783 VREBPPDQPOAOBW-HXOBKFHXSA-N 461.490 0.649 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1 1839184962 IVHILUQRNYKMKO-UZUQRXQVSA-N 485.578 0.921 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1839225558 MWCYSHKPSOXOLK-MHECFPHRSA-N 485.541 0.874 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839227834 ZSZFSQPIKYMTDA-GUYCJALGSA-N 453.414 0.349 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(NC(C)=O)c1ccccc1F)CCO2 1839234182 XXGDXDGNFSHCLK-XYHYBEPMSA-N 489.544 0.672 30 20 JCED O=C1Cc2cccc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)c2N1 1839573669 VGLSHXCPMMEOJX-BOYHNBDRSA-N 486.525 0.780 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cc(F)c(F)c(F)c3)NC(C)=O)C2)C1 1839809957 WJHGETMVRGDSBN-GCJKJVERSA-N 467.444 0.241 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840044060 JPNGUKQJFVXTIX-QZTZHPFYSA-N 493.557 0.614 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1840180808 HPOYTXQGWGLHQT-PKTZIBPZSA-N 459.499 0.438 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CSC(c3nc4ccc(O)cc4s3)=N1)CCO2 1840201425 RWQPMMCYHOSDJK-ZHRRBRCNSA-N 486.575 0.954 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCC3CC3)c(F)c1)CCO2 1840780627 ZOPQZTDVKQPMDH-HSZRJFAPSA-N 460.458 0.773 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1840844358 QRTCKQOBLBVJQO-KOSHJBKYSA-N 472.542 0.492 30 20 JCED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1)NC(=O)OC(C)(C)C 1841849422 ZFDORUIRYLUKMS-OAHLLOKOSA-N 463.535 0.601 30 20 JCED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)ccc1Br 1845458251 KBVSHJFQCDVPQF-UHFFFAOYSA-N 483.286 0.578 30 20 JCED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847090650 YZONQDNWJMFCNW-INIZCTEOSA-N 452.552 0.941 30 20 JCED Cc1c(Cl)cccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C)c1=O 502057842 NDGIMYSLCJTROW-UHFFFAOYSA-N 469.954 0.956 30 20 JCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 515723486 DFYTUXGRFITDNF-SGTLLEGYSA-N 457.530 0.114 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 515903508 PXRDDTILXQPWSD-UHFFFAOYSA-N 484.586 0.186 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc4c(c3)OCCO4)c2=O)cn1 523182614 UHRMUDJLBUIAQI-UHFFFAOYSA-N 493.545 0.248 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(=O)N(C)C 604270402 YBKJXQYGVZFQNY-UHFFFAOYSA-N 483.377 0.570 30 20 JCED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Cl)c(F)c2)c1=O 608912162 GPGFWLFTUCVAKU-UHFFFAOYSA-N 484.962 0.033 30 20 JCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccs1 609037295 CQPIXWSSCJBKSK-UHFFFAOYSA-N 452.561 0.971 30 20 JCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 609128846 SMAAAVTXUDPFSE-LJQANCHMSA-N 455.494 0.641 30 20 JCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccc(OC)n2)C1=O 726403220 JKCKZMYHOXYCOA-AEKNLGIRSA-N 477.568 0.874 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCS(C)(=O)=O 729674159 DJWVIJXVTWGZGZ-UHFFFAOYSA-N 498.424 0.746 30 20 JCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCS(C)(=O)=O 729674762 LQNYIPCIRUXYQV-UHFFFAOYSA-N 453.973 0.635 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CCOC 838250389 SVVRYFYZQNEOLM-UHFFFAOYSA-N 493.969 0.637 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 878407318 PVGBXQPNAFOAAM-FQEVSTJZSA-N 485.566 0.918 30 20 JCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)Nc1ccccc1C#N 914668086 OGTUYOUVTQLGLQ-CQSZACIVSA-N 456.480 0.863 30 20 JCED NC(=O)c1ccc(CN2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 915615231 RYFSJNAQYUEVHP-UHFFFAOYSA-N 455.540 0.559 30 20 JCED COc1cc(OC)c(CNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1 918873096 VPZLNUDCZFVOFO-UHFFFAOYSA-N 477.495 0.611 30 20 JCED C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1359139644 ZMTKCCPFSHLKNC-LJQANCHMSA-N 489.602 0.786 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC(C)C)CC1 1359151096 NACCHGAWHPYMPM-QGZVFWFLSA-N 477.031 0.911 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(=O)NCC(F)(F)F)CC2)c1C#N 1612470640 URZSLTAFVFTSFZ-AWEZNQCLSA-N 494.482 0.148 30 20 JCED CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CCN1CCOC 1614223354 RUVRSZZGDSZVKK-IBGZPJMESA-N 461.592 0.913 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690220424 YEBAOXGDMVEJIH-WCQYABFASA-N 476.401 0.837 30 20 JCED C[C@H](CN1CCOCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1706820817 GDAROBZBILCGSE-LMMKCTJWSA-N 480.639 0.033 30 20 JCED Cc1noc(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1751961624 PFTUHBQQUKFHCA-YJBOKZPZSA-N 453.500 0.706 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1779236195 BOHQTVHNFKKOGX-RUZDIDTESA-N 470.570 0.815 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1779317212 CKDXQLIUEATVEK-GHTZIAJQSA-N 493.358 0.915 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779419576 BSBCLQMRGCFDRF-QRTJQILJSA-N 452.552 0.944 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780330616 YDOHEOSZUWJUGE-NKNQFRNOSA-N 465.510 0.509 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781167550 GJHSQFGDPXWPKV-RHGYRFJNSA-N 493.605 0.106 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c(C#N)c1 1781172691 DFCRSWUEAXFSML-POUSAUBHSA-N 452.511 0.774 30 20 JCED CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781196687 BETHUFOUEYOUHC-REDKUUPNSA-N 451.520 0.844 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782641096 WKHZDYAAZKVULM-OPAMFIHVSA-N 483.635 0.770 30 20 JCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1)c1ccccc1 1783257944 JRTPDJYNDQLHRI-RCZVLFRGSA-N 457.571 0.300 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1783275907 QINDLWGVWMIQHH-HOOSLVGPSA-N 476.574 0.682 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1783884966 VSTZOBPECZCUDP-SBUREZEXSA-N 497.593 0.183 30 20 JCED C#CCCCC(=O)N1CC[C@@]2(CN(C(=O)CCOCCOCCOCCOC)CCO2)C1 1783907150 YNILQOOQXXXTCN-QHCPKHFHSA-N 454.564 0.706 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1784505599 RUWXJVALTWDIQW-YTEZWJELSA-N 481.590 0.929 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788639956 LPSPYDULJUTTAT-GWMWAVFOSA-N 463.487 0.173 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789510604 IHFNLHRWMUDLEJ-CGBFIWBNSA-N 458.515 0.995 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOC)[C@H]2C1 1791133873 FBROQDKVXYCESC-LWYYNNOASA-N 456.580 0.609 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1792257476 GBYAJVGTSDFGQH-VGWMRTNUSA-N 487.500 0.993 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C[C@@H]21 1792259127 YPFKDGRDRMKXTP-HAGHYFMRSA-N 473.574 0.859 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792635877 LUTBFHOBKFRTGH-YYIAUSFCSA-N 494.593 0.468 30 20 JCED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#Cc1ccc(Cl)cc1)c1cc(=O)n2[nH]nnc2n1 1792942407 KYTMQQVKBLIESG-MUJYYYPQSA-N 451.874 0.770 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)[C@@H](O)C1 1793258637 SZJJAEVLUBNULW-FYNHEXGPSA-N 475.586 0.997 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2 1793592209 ASOXRDNQBCFAHF-DFGXFYAUSA-N 473.592 0.480 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@@H]2NC(=O)NC2=O)c(C(F)(F)F)n1 1794206762 HUBPNFNHAIKFHD-OPDFLTKYSA-N 464.404 0.822 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794210637 SKIZIFKXQOKWJJ-FLXSYLCISA-N 489.573 0.920 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)cco1 1795003282 RNZKNXUVXDIBDE-LORHWOILSA-N 459.499 0.760 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1)NC(=O)OC(C)(C)C 1795861129 NNUYMQXZECOKPI-YYAJDYIMSA-N 463.539 0.122 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(=O)OC(C)(C)C 1796394518 PRGFNKOXUOPAMI-RZFLPCETSA-N 469.579 0.689 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)NCC 1797694962 MSOZDZYOHBZYHA-UYTYNIKBSA-N 481.594 0.753 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1797710336 TVVZIMQJZLLSSY-FSNPWBFUSA-N 497.589 0.606 30 20 JCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798567831 MLEPCNFKDSVJAR-NHKMSHSESA-N 493.516 0.990 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CN2CCSCC2)[C@H]1c1cccnc1 1802440318 GNXQWKGELMSXRZ-OCOIBCLLSA-N 457.600 0.995 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c(C#N)c1 1808173569 SJONKQYLHISGDX-AMDXRBSFSA-N 493.564 0.861 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1814209069 ZQIOXRJTRCSKQC-XWSJACJDSA-N 458.563 0.290 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@](C)(O)CC(=O)O)CC2 1814985676 OTZQYXQFYWCTEG-YUNKPMOVSA-N 451.549 0.953 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)NC(=O)OC(C)(C)C 1822204965 FGKJSTAKSCAGCL-CABCVRRESA-N 491.501 0.946 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826318813 RSIDQSHNHKTKFH-GRSVCBPLSA-N 461.500 0.509 30 20 JCED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCN2C(=O)OCc1ccccc1 1828627120 WKQIRJQHRQCDHH-DEOSSOPVSA-N 496.524 0.294 30 20 JCED Cn1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1828744707 GNZYEGRKKRSNLI-DEOSSOPVSA-N 479.493 0.574 30 20 JCED O=C(C/N=C/c1ccco1)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1829133631 SWDASBICXGOZMD-ZVWIGDQWSA-N 484.509 0.461 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)C1 1829765463 XMHBSAUJLKXAHV-JOLZLKTMSA-N 485.537 0.663 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nc(CC)c3)C2)C1 1829766060 JANUCYMUNBWNLQ-WNWNSBFKSA-N 456.543 0.881 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1829769020 MARGYHVJWUARDC-XLQQFJOYSA-N 480.525 0.400 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1829771081 DHZMWOCLVGZYGP-PLGXJTBGSA-N 481.553 0.067 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)cc3)C2)C1 1829771197 LHEPQZOXPBRKAY-RRFNBQSRSA-N 479.537 0.801 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1830470350 UEIYLDTVXHIQJV-QHCPKHFHSA-N 471.897 0.073 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCO2 1831110629 KSHDQNRNUMAVDJ-LYHRCORUSA-N 461.584 0.810 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(F)F)cn3)C2)C1 1831391245 LADGQKVDELQGKI-BTYIYWSLSA-N 453.442 0.791 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1831396245 IELBOVJSIXTQOJ-MHECFPHRSA-N 457.527 0.511 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc4[nH]ccc4c3)C2)C1 1831401939 JUYJUBKMXUZHNO-HOYKHHGWSA-N 454.527 0.990 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1831403005 VEIUUMQZZMRYTJ-MBSDFSHPSA-N 465.547 0.350 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1831490383 BJPSGSLVHOBEQZ-CVDCTZTESA-N 474.583 0.958 30 20 JCED COCCOCCOCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831498799 QRELRGIJOJSMMS-UNMCSNQZSA-N 492.635 0.093 30 20 JCED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)c1=O 1831885107 KHNLOUIACAALJQ-BMOUEYTDSA-N 471.535 0.956 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1)c1ccccc1 1832022927 VJGIFXBRHFNKGL-AMGIVPHBSA-N 493.560 0.955 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)cc1 1832024421 DDFLYDKFPYTNAC-DEOSSOPVSA-N 466.494 0.138 30 20 JCED Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)s1 1833021566 SEBJHZYQKZEAIH-KRAMAXKOSA-N 481.575 0.765 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c(-c3ccc(F)cc3)c1)CCO2 1833616109 YBQSUUNWQFGFHT-QHCPKHFHSA-N 455.442 0.979 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c1 1833766414 OCJUEGJLLXXRQB-HXUWFJFHSA-N 466.542 0.650 30 20 JCED CS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1835258845 YPCXWXPDPIYCNP-LJQANCHMSA-N 455.920 0.326 30 20 JCED Cc1cc(C)n2ncc(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)c2n1 1835339413 SQZADSHRAIEREV-UHFFFAOYSA-N 452.515 0.619 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836210372 FRYVSSITYVIONX-WZONZLPQSA-N 492.577 0.594 30 20 JCED CCn1c(-n2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)cc2C)cccc1=O 1836259955 NCFCEHVIDTWHLA-HSZRJFAPSA-N 468.514 0.346 30 20 JCED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)c1 1837046326 ARNXGDCOOVIVKI-UHFFFAOYSA-N 453.499 0.722 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1 1837279303 UNSSKKJXXJSESU-WAIKUNEKSA-N 467.530 0.717 30 20 JCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)N1C[C@@H]2C[C@H]2C1 1837287214 QMHRNKHIAMEXRG-QSFMFHSFSA-N 464.563 0.312 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1837393352 PLQQUPITNMMLIJ-YVEFUNNKSA-N 470.416 0.371 30 20 JCED C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441965 JYSYTWOORXAXBP-OKEGVBJISA-N 458.563 0.810 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1 1837638172 XNRIBNJXPQCMNW-KRWDZBQOSA-N 465.551 0.667 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)n1 1837659095 PNNFLDFMKNZDJW-RUZDIDTESA-N 479.537 0.929 30 20 JCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837674320 FHIHSMMGLUWZSE-PYEQPNSUSA-N 451.568 0.219 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1838582431 MRSBRSSQOLWFPX-JOCHJYFZSA-N 453.455 0.034 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(N5CCN(C)CC5)CC4)C3)C2)c1 1838584632 BBFVWHFWPSMLIZ-RUZDIDTESA-N 497.596 0.417 30 20 JCED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1)c1ccccc1 1839078264 NOYMTCFVYVAWPF-MTQWNXOMSA-N 455.555 0.363 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CC[C@@H]4CCC(=O)N4C2)CCO3)c1 1839083545 BDIAVLYUWILSIO-YZZKKUAISA-N 455.515 0.357 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1839173656 DUIPNRXXCKXLJY-JOCHJYFZSA-N 464.519 0.109 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)ccc1F 1839187919 DWEMWZVKSMQUKB-DENIHFKCSA-N 479.530 0.273 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839203982 CRFHZRZPAVDFBQ-JTSKRJEESA-N 453.536 0.132 30 20 JCED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1839401225 SKEFQPUPYMIKLZ-SPLOXXLWSA-N 493.358 0.902 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421080 UVAOIJHKJGKKRW-REWPJTCUSA-N 491.472 0.262 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839513089 WGQQZYJKVIBSTG-QMHKHESXSA-N 454.483 0.444 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839648742 GKQZXWHMXRFCBI-XMQQHFNTSA-N 456.499 0.433 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1839889433 UMZKTZUXYXQQOE-VQIMIIECSA-N 462.446 0.149 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1840158452 LYJYMCJQNIPAJR-HJPURHCSSA-N 475.567 0.838 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840162838 JJNVGDQBGGVKPR-AUSJPIAWSA-N 461.581 0.037 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251765 WZUKAUCLYVJJDX-FDDCHVKYSA-N 490.561 0.300 30 20 JCED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820772 JIBRRRZKXNQONZ-XMMPIXPASA-N 473.526 0.983 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(cnn4C)c3OCC)C2)C1 1840841790 VRBPSYTUZNKIIG-QHCPKHFHSA-N 455.515 0.850 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)[C@@H](O)C=C)C2)C1 1840908523 CBEHOZHTTNPJHY-MHPIHPPYSA-N 493.601 0.933 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1841224204 VBURJUHMRGBYTC-ZRWGHTATSA-N 472.542 0.898 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)COCCNC(=O)OC(C)(C)C)C1 1845153367 QUSCVOQHMBZNSC-FPLPWBNLSA-N 450.536 0.590 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845859941 DUSKQBVWVTZOMV-SFHVURJKSA-N 457.487 0.535 30 20 JCED C#CCCC(=O)N1CC2(CCCN2C(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)C1 1845884617 FCARSEZIEFJKRR-UHFFFAOYSA-N 453.503 0.743 30 20 JCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 21710252 SWCOFBSBHFPEGC-PKOBYXMFSA-N 461.519 0.700 30 20 JCED CN1C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C(=O)C12CCCCC2 490720100 GKCAQPZURXIANQ-UHFFFAOYSA-N 473.555 0.988 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@@H](C)O1 514145837 YPEJMAHAPVYQJJ-ZIAGYGMSSA-N 462.981 0.872 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OC(F)F)c1=O 604269075 JZPJQVOHTUIYHC-UHFFFAOYSA-N 462.478 0.381 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(=O)N(C)C 604270001 MFFHIFDUUIARTO-UHFFFAOYSA-N 494.520 0.255 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCNS(C)(=O)=O 608912750 AVGYXNREIIPYMV-UHFFFAOYSA-N 462.597 0.187 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCc1cccnc1 609038440 DFDXWFKDQLAGPQ-UHFFFAOYSA-N 479.518 0.721 30 20 JCED COc1ccc(CC(=O)O[C@H](C)C(=O)N(C)CCC#N)cc1S(=O)(=O)N1CCOCC1 729119240 PUUWQGQTBOAPPX-OAHLLOKOSA-N 453.517 0.562 30 20 JCED NS(=O)(=O)c1ccc(C/N=C2\S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cocn2)cc1 730724435 LWWADHFCOSLZTA-BSBNDGSWSA-N 463.541 0.991 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)cn3)CC2)cc1OC 730894515 RLYGITHCNMCNLI-UHFFFAOYSA-N 474.495 0.660 30 20 JCED NC(=O)c1cc2c(nc1O)CCC[C@@H]2NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 825359932 PVKLXNPOJGAVGC-HNNXBMFYSA-N 457.512 0.899 30 20 JCED COC(=O)C1CCN(C(=O)[C@@H](OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C(C)C)CC1 913242580 GYAMCHIFFWJWEV-IBGZPJMESA-N 465.528 0.816 30 20 JCED COC(=O)c1c(CC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[nH]c(C(C)=O)c1C 915373933 PHQJQZKWBSNWCA-UHFFFAOYSA-N 471.470 0.915 30 20 JCED COCCCN(CCOC)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918467796 LHUPFHCTQVXMNH-PYCFMQQDSA-N 454.549 0.949 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1CC(=O)N(C)C 918730291 XJCKPEKNYKRWTD-UHFFFAOYSA-N 492.504 0.413 30 20 JCED CCN(CCC#N)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 919036318 ZRPBKMDTQJVWBR-UHFFFAOYSA-N 452.533 0.692 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1COCCO1 1303854446 UMRKHXHKOHQWOT-MJGOQNOKSA-N 489.602 0.892 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1316354666 SEKDGQGFIWSTFN-KRWDZBQOSA-N 494.599 0.245 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1360299201 UBESIEFSTBUIGJ-UHFFFAOYSA-N 474.591 0.013 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1547765229 NOOGMZFXQUQJAG-SBUREZEXSA-N 453.547 0.615 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1611686854 NMUQADJDNSJYFG-HEHGZKQESA-N 483.492 0.593 30 20 JCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3cccc(OCC#N)c3)CC2)C[C@@H](C)O1 1631581758 MWQSBEHBYUJYIH-IAGOWNOFSA-N 451.549 0.770 30 20 JCED CC(=O)N1CCC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)C1 1690809826 OHYVGAQTUWXHOQ-UXHICEINSA-N 493.634 1.000 30 20 JCED C[C@H](O)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1692811609 IKDRWWVDZMCSMN-ZYSHUDEJSA-N 476.559 0.441 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 1740738694 JZYXYBWOPRFHSA-LBPRGKRZSA-N 476.401 0.791 30 20 JCED CN(C)[C@@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCSC1 1747587671 XUYBVJNHIRSPJJ-FXAWDEMLSA-N 483.664 0.788 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1ccccc1F 1751222056 OMJIJCISLGSGHF-DJJJIMSYSA-N 467.502 0.899 30 20 JCED COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCC1 1769323003 ANNIAYUUIPUIJN-WBVHZDCISA-N 451.597 0.882 30 20 JCED COCCn1nccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1778232540 WPTMFOYCDBJOLM-AUSIDOKSSA-N 460.579 0.939 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(N4CCOCC4)n3)CCO2)C1 1778972008 SBOLESVJLTXRBJ-DVECYGJZSA-N 458.559 0.935 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779320447 WSLUGDJAOGNOHG-IEGUWTFLSA-N 482.578 0.437 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1779336561 QYRHODXUSUYNDT-RTXPOLOASA-N 468.547 0.568 30 20 JCED Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)cn2[nH]cnc(=O)c12 1780016717 NXJRBDYUOOYKDR-XMMPIXPASA-N 460.494 0.889 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780924564 RHVPNFUYEOXANM-HTAPYJJXSA-N 494.639 0.626 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781965569 LFAHOWKTSOUUFE-HTAPYJJXSA-N 462.478 0.984 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782031684 LVRDQZFMVRKRHW-NXHTTZLHSA-N 495.529 0.045 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(=O)(=O)c3ccccc3)C[C@@H]21 1783530108 GINBBVMMFVGCIM-VBNDLKKDSA-N 489.594 0.689 30 20 JCED CC(C)[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783567452 PULYYALKYOJTJL-AOMKIAJQSA-N 451.520 0.844 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784195965 TYVBBGIAWVVWBU-VMXHOPILSA-N 467.563 0.280 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(OC)OC)[C@H]2C1 1784291871 CUFCDLRRLGDDRO-NXOAAHMSSA-N 453.536 0.502 30 20 JCED COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1784511651 YFUYTWWSXGYMHM-ZVZYQTTQSA-N 471.539 0.934 30 20 JCED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CNC4=O)[C@H]3C2)cc1C#N 1784956312 BKMKYNWSTFPBCI-QRFRQXIXSA-N 483.525 0.491 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785245907 SXVMVWOYRZCGMN-QHCPKHFHSA-N 475.567 0.564 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1)NC(=O)OC(C)(C)C 1785302189 MENMBYFNXXKXRY-AOMKIAJQSA-N 452.552 0.812 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786808264 KHBVDUBQPHWGTC-FJIDUMEYSA-N 478.594 0.146 30 20 JCED Cn1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc2c1-c1ncccc1OC2 1787155207 ZTDPRBOWTJWUJB-QOKNQOGYSA-N 464.478 0.661 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1 1787392829 UOWIOQSNPOIDSL-FPSMNIFISA-N 455.552 0.443 30 20 JCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cn2cccnc2n1 1788311021 VGJJHIXQQBKPBC-NINDVERBSA-N 456.503 0.852 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790225592 YMYZYMRGNYJHPN-CJCBUOBESA-N 466.535 0.618 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790862179 XDXTXUSSTBLQQY-ADHGMGHFSA-N 462.547 0.019 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1792279335 QFRGBXDYPLDSNY-QAETUUGQSA-N 480.566 0.222 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1792451489 ULSJCJCLOUJIOM-XNFGBDPYSA-N 463.575 0.997 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2 1793343891 AHCMDBLWDYKECM-LCNLMQJVSA-N 455.555 0.515 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)N1CCOCC1)C2 1793832712 XYOAOVYUVUVZDH-KSZKVXGTSA-N 466.579 0.745 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1)NC(=O)OC(C)(C)C 1795443204 CBTKDOBDJROBCL-VQQMMKBISA-N 480.606 0.768 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(cnn2C)c1OCC 1796069899 RZXZJHFAVSYKTJ-OAFZBRQQSA-N 455.515 0.609 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796444241 IPSQFMJDWALDTM-WEPLXLJNSA-N 493.582 0.962 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1797968981 XHSWYJSBCLCTPP-UKBAYJJMSA-N 482.459 0.931 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c1Cl 1798590215 HFRBGLSRALWWSP-CWPLJXCYSA-N 480.974 0.840 30 20 JCED COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799325496 JDODINBADQDBMU-OPMZPASUSA-N 455.490 0.986 30 20 JCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cn4c(nc2=O)SCC4)C3)ccc1F 1799326097 KJTJHXMDBLFANB-OPMZPASUSA-N 497.552 0.735 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1799334464 DDKDDTXXEOXGOZ-XAPVIXHLSA-N 482.541 0.739 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1799349717 CAHVENPSJGDFTC-IIZPIQPGSA-N 486.569 0.966 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800779150 VNHYOEWPIZDTNI-WHZNHKCRSA-N 467.494 0.403 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@H](NC)C(=O)O)C3)N(C(=O)OC(C)(C)C)C1 1801104046 WOPINZOVQYZXIP-OYNZLANYSA-N 480.562 0.204 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1802127157 QTKHVRGWUFEPQI-NRUGXNMXSA-N 462.547 0.019 30 20 JCED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C3)N(C(=O)OC(C)(C)C)C1 1802508733 XNOZSBGCFLOQKT-YVSFHVDLSA-N 478.546 0.733 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802824245 BZBCMTLMXNTVFB-RCJHGTSTSA-N 483.525 0.865 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)nc3cccnn23)[C@@H]1c1cccnc1 1803550789 SADVWGPEJUIAEC-TVTNDZMWSA-N 460.494 0.842 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](CNC(=O)CC#N)[C@@H]1c1cccnc1 1806290877 NSCMVPFJFJBFKA-BXWFABGCSA-N 458.519 0.770 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1808836059 CLFKFDBVHFHTHT-QFUCXCTJSA-N 479.603 0.619 30 20 JCED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1814060555 SPNZWGQXDDUYRX-WZONZLPQSA-N 476.493 0.590 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cc(C)c(O)nc2=O)[nH]n1 1814440037 KRXHMQNQCRKUAR-XITLMJRVSA-N 469.502 0.531 30 20 JCED NC(=O)CC[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819898674 NGMSAEMCBFTUHB-KNBIVEQCSA-N 452.537 0.177 30 20 JCED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)cc1 1823490721 HPWGGHNCPJYNBO-CYBMUJFWSA-N 475.494 0.875 30 20 JCED COC[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828598457 ZXJABNIUTBNMHB-HOYKHHGWSA-N 471.510 0.809 30 20 JCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCN2C(=O)OCc1ccccc1 1828990822 WHZDAHVTQDPYDG-CJFMBICVSA-N 484.553 0.915 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn34)C2)C1 1829771897 ZYWINUMUZMTKNC-UUMVVRSSSA-N 467.526 0.571 30 20 JCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1830573829 RBESFRXDSBBCMN-JTSKRJEESA-N 453.536 0.132 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1)CCO2 1830606255 BLJHHBVJBZJVIN-WMZHIEFXSA-N 458.490 0.800 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccc1I)CCO2 1830858625 CGUYTUJIRHYNTR-LJQANCHMSA-N 468.291 0.923 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CCC(C(=O)OC)(CC3)CC4)C2)C1 1831393577 YHEYPBRTWPAVEJ-XBMRSUBKSA-N 476.570 0.995 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)[C@H](C)CC)CCO2 1831522487 BSAZKCFGSOMAQM-RAZUEPIFSA-N 481.590 0.766 30 20 JCED O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)c1ccc[nH]1 1832875732 LZOZRFXFHAZNOQ-RUZDIDTESA-N 464.522 0.643 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc(Cl)ccc1F)CCO2 1833238503 BKQXXQUCHAQQIU-RMUOZIPVSA-N 466.897 0.803 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4nc(C)no4)C3)C2)c(O)n1 1833699201 VLDXGAQKYSPYIO-HSZRJFAPSA-N 471.514 0.910 30 20 JCED CCOC(=O)c1ncn2cc(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)ccc12 1834758313 KVBHHCLDXBPWMJ-QFIPXVFZSA-N 455.471 0.495 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)C)CCO2)NC(=O)OC(C)(C)C 1834946249 PCMLYLMIIDHHQW-WZONZLPQSA-N 468.595 0.864 30 20 JCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1835844660 MQWXIOODJMDAMR-HSZRJFAPSA-N 485.585 0.903 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836687410 KRGRJXRYWQCUST-RCZVLFRGSA-N 455.555 0.757 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C3\C(=O)Nc4ccccc43)CCO2)C1 1837322469 BWWAVSCLXDWIEN-MHVKMUOSSA-N 481.553 0.760 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837374468 GVCHMSJLTUDPEE-HXOBKFHXSA-N 476.961 0.856 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1837486424 FCAQPRJEOHIEHV-IBGZPJMESA-N 494.438 0.497 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(C)(C)C 1837486701 MMDMTSQWLPROKV-SQJMNOBHSA-N 477.602 0.692 30 20 JCED N[C@@H](Cc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491667 SNHXRRDXJFLKGP-OFVILXPXSA-N 470.570 0.106 30 20 JCED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1C 1837525235 LBWQHNZPOFNUAK-BHJOUFRFSA-N 463.535 0.256 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530864 SAIHMMHLTCRIBE-PTJKWTKHSA-N 467.519 0.481 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565049 KJUDFOHEQNBUHX-JBMWNJKUSA-N 464.519 0.680 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]([C@@H](C)OC)N(C)C(=O)OC(C)(C)C)CCO2 1839094887 ZTVJPBBBKXPMES-TVTNDZMWSA-N 453.536 0.346 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1839174533 HUDIMMUEQCSXOG-HXUWFJFHSA-N 454.911 0.502 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1839174748 VBQYPYNUWHCTEA-FQEVSTJZSA-N 452.533 0.613 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)ccc1F 1839186574 CJPIDKLDUUHNIL-XMMPIXPASA-N 484.484 0.011 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1839228300 YQSZBCMDSGZKDQ-IERDGZPVSA-N 456.540 0.768 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1 1839452157 JGIDSFCHUUVYGZ-JOCHJYFZSA-N 453.455 0.452 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(I)ccnc3F)C2)C1 1839807607 AAMSPAUTWWFEEM-QGZVFWFLSA-N 473.242 0.529 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1840163106 DDUDYSNFIQLCOG-DJJJIMSYSA-N 460.549 0.618 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840355446 FSPORANMZBAGHP-JOCHJYFZSA-N 457.918 0.830 30 20 JCED CCOc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn1 1840818793 XMZCJXWJWPJBPA-DEOSSOPVSA-N 481.509 0.896 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1840906463 CBYRZDIUWDFCAQ-VLMPBXDWSA-N 453.511 0.717 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)on3)C2)C1 1840909254 XLMKGIVLCCIKQT-YADARESESA-N 490.557 0.899 30 20 JCED CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623327 DBADTRNZNHJZKZ-MRXNPFEDSA-N 459.547 0.867 30 20 JCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)c3nccnc3C(N)=O)C2)N(C(=O)OC(C)(C)C)C1 1844596765 FXGBFSYUBABRLT-HNNXBMFYSA-N 470.530 0.958 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CCCC34CN(C(=O)[C@H](C)S)C4)c2n1 1845884821 ZXIZHHLXHBAOEB-LBPRGKRZSA-N 461.548 0.648 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1846905389 DJEMROAZRBFRTQ-SFHVURJKSA-N 475.567 0.563 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(N)(=O)=O)s3)CC2)cc1 16067074 GTLJKCQASSTDQE-UHFFFAOYSA-N 468.582 0.984 30 20 JCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 17843843 SCURZNQTMJUGBQ-UHFFFAOYSA-N 457.556 0.876 30 20 JCED N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 483115835 HZRAUIUDUYBTIR-WMZOPIPTSA-N 486.510 0.334 30 20 JCED N#Cc1ccc(N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)CC2)nc1 492147821 LACPTLLNMHLXOS-UHFFFAOYSA-N 456.528 0.400 30 20 JCED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccnn3C)c2=O)c1 502064508 UWRNWEQWADWEFF-UHFFFAOYSA-N 450.524 0.619 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)CC1 503782859 WJEZMWCPRZHYOE-UHFFFAOYSA-N 482.478 0.709 30 20 JCED CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 517179016 GIAPSGUVRONRRO-UHFFFAOYSA-N 499.549 0.497 30 20 JCED CCCN(C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O)c1c(O)nc(=O)n(Cc2ccccc2)c1N 603724403 RNMBOYBZFKBOEV-UHFFFAOYSA-N 479.497 0.238 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828860 OBMCEPLVOFUJHA-UHFFFAOYSA-N 486.575 0.536 30 20 JCED CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCNS(C)(=O)=O)c2=O)cc1 608912152 GKVRKOUBFRDVSE-UHFFFAOYSA-N 474.608 0.364 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nnnc2CCc2ccccc2)CC1 609371953 ODEFTVBFIWTIBH-UHFFFAOYSA-N 465.539 0.863 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 725762982 BGWCMJOKXOUFJI-UHFFFAOYSA-N 479.562 0.494 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(=O)n(CCCOC)c(S)nc3c2)CC1 729256754 GYRBBAFSBBAPQH-UHFFFAOYSA-N 471.583 0.619 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 729322182 BZQBQJGUFDNHIS-OVJLLXBISA-N 477.587 0.619 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)CC1 747900787 CLIORVWIBUONNL-UHFFFAOYSA-N 496.501 0.231 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c(=O)n1CCOC 838256637 MRFMMXXXYMJDPR-AWEZNQCLSA-N 455.536 0.693 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 878407043 JPXOXWIVUBIKIL-WBVHZDCISA-N 456.542 0.083 30 20 JCED C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nn(CN2CCNC(=O)C2)c1=S 915809078 IXJWLHPBMPUTAQ-UHFFFAOYSA-N 478.600 0.677 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)c1 927574038 XSMFYMMZYCWDML-DOTOQJQBSA-N 456.542 0.083 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1 1300848921 KFUUPTGMDRCMPS-ZDUSSCGKSA-N 477.385 0.221 30 20 JCED CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1301848245 WOBDSEITJARIBN-UHFFFAOYSA-N 467.530 0.692 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1=O 1301888799 PMDMYWJPUGUHAY-KRWDZBQOSA-N 458.544 0.546 30 20 JCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCCO1 1305205767 LHNTXLIFIAQZCZ-IERDGZPVSA-N 461.544 0.894 30 20 JCED COCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1315849914 YVJJIHCZKRADEU-OXQOHEQNSA-N 486.570 0.496 30 20 JCED CCN1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1502282177 TYGQIRJZOCXATP-IEBWSBKVSA-N 487.634 0.966 30 20 JCED CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1503292283 WNARCNILTMGNBW-YPSMLTEGSA-N 497.622 0.994 30 20 JCED CCN(c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1547385985 YRSNOWVVPXDTDH-INIZCTEOSA-N 467.573 0.787 30 20 JCED COCCS(=O)(=O)c1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1584862882 VTVASDRNTXMJBR-UHFFFAOYSA-N 451.526 0.462 30 20 JCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1618794511 LVVYBDWDKVXROS-LJQANCHMSA-N 489.602 0.830 30 20 JCED Cc1cccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1649557301 QJXSXEYWKVFPMJ-ROUUACIJSA-N 458.544 0.647 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OCCN(C)C)cc1 1723956813 RQWLEPUIHCTYFT-VQIMIIECSA-N 477.591 0.606 30 20 JCED CC(=O)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1760589881 KVTJBNQPVIVDGA-AYBZRNKSSA-N 478.623 0.323 30 20 JCED CCN1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1767026242 AYVURPDGBOBHHV-BQFCYCMXSA-N 450.613 0.407 30 20 JCED CS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1770362482 PHQWMTYDEQWROH-MRXNPFEDSA-N 463.539 0.669 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1779105294 BXXFKFHGKDPKER-WEBAALOPSA-N 460.466 0.841 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781290745 JFHDLIOCMLFOOV-SBUREZEXSA-N 478.594 0.516 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300590 AIGKGKMDQXMRSN-NFBKMPQASA-N 475.473 0.565 30 20 JCED CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1)C(=O)O 1781902884 PRYPAHONMJAVNU-OXQOHEQNSA-N 479.331 0.827 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015250 CKENIARVYIJSIU-CKNGIIGNSA-N 495.529 0.045 30 20 JCED COC(=O)[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)NC(=O)OC(C)(C)C 1783787579 QNFXNDBIANROGS-QRQCRPRQSA-N 464.519 0.576 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1)C(C)(C)S 1784041925 LPQRJVTXYHOJLL-JCEJCQQGSA-N 498.646 0.944 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCNC(=O)OC(C)(C)C)C[C@@H]21 1784484784 BRCYQRAHKCGCKL-XWSJACJDSA-N 467.563 0.546 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785364637 CBNGRAQUTUJYST-QQMNAOGKSA-N 462.547 0.880 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1785622903 YRDNEVHPVQGCGC-FNVCAUGXSA-N 475.546 0.103 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1788601114 XUSNACJMPIJDSZ-WLCHQOJYSA-N 471.562 0.082 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)no1 1788678523 GTSXWLBLIZRNGU-SVIHLCMZSA-N 457.487 0.405 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1791122741 CFDPGFPQTBBKRC-JUPXILGHSA-N 450.536 0.640 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1 1792832524 XLTSEFLLENYQFX-UPHUGPLXSA-N 461.482 0.125 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc(Br)c1F 1793082360 AXIASKBTAXIBQC-DBWKPXFBSA-N 453.264 0.808 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(N3CCCNC(=O)C3)n2)CCC1 1794506619 HQUDSJCMMPAHGR-UPHUGPLXSA-N 466.542 0.305 30 20 JCED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)cc2Cl)C3)CC1 1797308089 MPCUNJKOSNRKKG-OPMZPASUSA-N 473.961 0.579 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C2 1797712456 JAIMIEXYLVYVHZ-JTJHWIPRSA-N 494.633 0.702 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1800528520 UEODSPBRYOCTBJ-FWEDZOCSSA-N 452.552 0.570 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2)C(C)(C)S 1800907937 OVZJUAFTIFMAHQ-DLTLXFJOSA-N 498.602 0.972 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1803909842 SQVDNXJHNLVCLI-OPYAIIAOSA-N 486.525 0.811 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804193919 FVQBBUOESPTQAK-CTNGQTDRSA-N 490.630 0.100 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1808406901 HTIWSDVCKKKABT-SLYNCCJLSA-N 462.572 0.551 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1811406560 OSJOAWRNSZFDID-VGOFRKELSA-N 476.493 0.833 30 20 JCED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)cc1 1811890191 JCQJLAARBFFGKM-FXAWDEMLSA-N 469.465 0.713 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812873787 OVCOZISYEBSLSV-SQGPQFPESA-N 474.514 0.451 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncn3nc(N4CCOCC4)ccc23)n[nH]1 1817712707 UDLYANIMBDPQOO-MRXNPFEDSA-N 492.496 0.683 30 20 JCED CCOC(=O)N[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1819241341 FTXICWRYIKKABT-RBBKBPPGSA-N 466.495 0.995 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)COCCO)C3)C2)c1 1829181873 VOMQZMLOKZUHGO-RUZDIDTESA-N 495.536 0.961 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1829771541 UXUBKSKBHYTNMH-XJWBDWDQSA-N 494.548 0.211 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)CCO2 1831248346 FQMSCZBCZZQCMF-CXOFEFFFSA-N 482.537 0.494 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1831387739 KAMMDRSKZGEOGJ-AFMDSPMNSA-N 497.548 0.096 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1831434213 UBYZSVZDHPJMNP-FLFXDLLNSA-N 497.589 0.404 30 20 JCED CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)N(CC)CC 1831664068 OTCOCZNOYGDBNB-XXBNENTESA-N 451.612 0.845 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1832000256 JPBJCRQHDPVDLC-BSRJHKFKSA-N 467.563 0.949 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1833106650 DNPQHZZRBXKQRP-NTKDMRAZSA-N 487.557 0.887 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833564437 ZEDPVHCHTRAAIX-WIYYLYMNSA-N 485.628 0.651 30 20 JCED COCCOCC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1834565663 HKLPQDMNRAEDAT-PXJFTPKESA-N 454.568 0.750 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834877848 NAVYCZKDYUOVCN-IBGZPJMESA-N 488.593 0.161 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)Cc3cccnc3)CC2)CC1 1835095913 PPXJERXAIDAKMA-QFIPXVFZSA-N 469.634 0.805 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)cc(C(F)(F)F)c1 1835309992 KLZSNFLZLILMRI-DYESRHJHSA-N 480.443 0.926 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1835677155 JGIVZYGNFNVEGX-DEOSSOPVSA-N 466.542 0.982 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1835677884 ZMZWPOWZTKBTQG-HSZRJFAPSA-N 454.531 0.686 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1835705602 LYGPCGPJEUBAFO-PLKRASQRSA-N 454.527 0.511 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835768197 QTOPPILKMJFLPP-AVBMPVCHSA-N 463.579 0.708 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4nc[nH]n4)CCO3)C2)c(C(F)(F)F)n1 1836346931 CEVFQKZSXKHLMN-GOSISDBHSA-N 465.392 0.474 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837135412 GIHMZWKKTURYDT-PGRDOPGGSA-N 461.540 0.846 30 20 JCED CC(C)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(C)C 1837442317 VWLCJGZRJZNJGT-BVONVKGESA-N 451.612 0.937 30 20 JCED CCOc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1 1837445417 XYWKZDZUUPXHJE-DHNIJCFSSA-N 460.535 0.417 30 20 JCED CN(C)c1cncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837524825 OIIRQFNOPUWSKM-ALUBYUQESA-N 475.546 0.747 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1837647521 MUMWETBGGMEWHC-HJPURHCSSA-N 478.513 0.432 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(-c4ccncn4)noc3C)CCO2)C1 1838491031 SHFAJDYHNMCQKD-HXOBKFHXSA-N 469.498 0.548 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])CCO2)C1 1838601866 XNOOECZGSJUNLE-CVDCTZTESA-N 493.513 0.952 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)c(OC)c1)CCO2 1838985531 IPQPFMSLNWBKKW-WEHRJKGCSA-N 457.527 0.932 30 20 JCED COc1ccc(OC)c(CCCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839197016 DUIKJHCOLWKQCG-DEOSSOPVSA-N 474.510 0.571 30 20 JCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204627 TYHRIKJJZMQJIY-DVECYGJZSA-N 481.590 0.912 30 20 JCED COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839227674 IVAMSZPLYJHQFD-UGKGYDQZSA-N 473.567 0.313 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3cccc(F)c13)CCO2 1839598009 MOVPXBQXBLFXLD-KSEXMQBYSA-N 471.489 0.630 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2)NC(=O)OC(C)(C)C 1839881939 OPUVAKMYQKQNRH-ROMRWMGNSA-N 496.605 0.827 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)CCO2)C1 1840038176 MIRBJIAMIPROSX-GIFQPEHOSA-N 499.630 0.786 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1840169097 JZVXPOXEJRHDRR-BJKOFHAPSA-N 479.574 0.930 30 20 JCED Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1840405613 XMOQGQALKUVUJP-RDPSFJRHSA-N 458.559 0.908 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CC)NC(=O)OC(C)(C)C)CCO2)C1 1840804229 ZSINODXZVGLDNP-PNCHPQGNSA-N 467.563 0.784 30 20 JCED CC(C)n1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1C(=O)O 1840813376 VVSMSHVKQSULGI-QFIPXVFZSA-N 459.503 0.926 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)OC)C2)C1 1840908932 STTDIMQAVHAJEL-HYFFOGBASA-N 453.536 0.394 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1)Cc1cccc(C#N)c1 1843348364 JHTIMAJELCSLKL-UXHICEINSA-N 484.601 0.874 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845582760 NHSDESCOWZZEFZ-LJQANCHMSA-N 460.498 0.722 30 20 JCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 410010765 JTVGTJKPORCCHO-UHFFFAOYSA-N 485.562 0.460 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 494538066 ZZFIQXBHCJHJKN-UHFFFAOYSA-N 476.316 0.905 30 20 JCED CN(CC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 502854556 GWRHGNPTGCLFGI-UHFFFAOYSA-N 497.643 0.832 30 20 JCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 514417130 MMKCRESVMJDXBT-INIZCTEOSA-N 485.522 0.802 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3cccc(F)c3)c2=O)cn1 523180988 PXGYJOSOOBCZMV-CQSZACIVSA-N 455.515 0.909 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1CCc1ccccn1 523182032 RQTLUOUPCLETPT-UHFFFAOYSA-N 496.545 0.501 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CC(=O)N(C)C 604269140 YVRLKJMUZNFEHF-UHFFFAOYSA-N 456.568 0.352 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC(C)(C)CN(C)C 608912216 QAMFQCXMLZOLGK-UHFFFAOYSA-N 472.611 0.772 30 20 JCED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CCO1 728757991 SZBJOQPKYINQKS-SPJFCROGSA-N 480.543 0.619 30 20 JCED N#CCCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 849133086 ADDIOAQEAMKMNP-UHFFFAOYSA-N 464.544 0.884 30 20 JCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 867045802 JEPPGOODFYFBLQ-UHFFFAOYSA-N 472.508 0.955 30 20 JCED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn(C)c3)c2=O)c1 913151804 XPOWOSCKKVGEMP-UHFFFAOYSA-N 464.551 0.866 30 20 JCED COCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(SC)cc2)c1=O 916198315 LVZUGTVPWIZCBF-UHFFFAOYSA-N 488.635 0.230 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@@H](C)C1 1301045274 RUSHJPVWWQBKAV-JKSUJKDBSA-N 463.004 0.520 30 20 JCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)C1 1521063254 PFBKCSQMCVLTKJ-LAUBAEHRSA-N 460.535 0.981 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ncccc1N(C)C 1541943530 YDHYKDOSDLIZDY-WBVHZDCISA-N 473.607 0.574 30 20 JCED CC(=O)N1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1596290162 WWPQAIXFVXRQPV-FQEVSTJZSA-N 450.547 0.901 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)N1CCOCC1 1608563557 KZTJXZDXKUSZSN-GOSISDBHSA-N 467.578 0.730 30 20 JCED CO[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1697121998 YOUXIHPAEXXWDK-YLJYHZDGSA-N 489.602 0.844 30 20 JCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1698061910 XXLNNOOATMCSFA-HNNXBMFYSA-N 459.594 0.514 30 20 JCED CCCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1709849674 OYSFLMNRQQJMFO-OAQYLSRUSA-N 466.590 0.898 30 20 JCED COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1712007801 OBRHIMVWHUJFHJ-VQTJNVASSA-N 465.507 0.857 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N2CCOCC2)CC1 1741931618 QVCRVFXHALHASG-APWZRJJASA-N 451.597 0.883 30 20 JCED CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1767850938 LNBLNRZUGJZGIC-LJQANCHMSA-N 460.495 0.183 30 20 JCED N#C[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1770747196 MRKQIVVIRWGRRH-YJBOKZPZSA-N 482.360 0.986 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccc(Cl)cc1)C2)c1cc(=O)n2[nH]nnc2n1 1777820597 LXHWPEDZCFSYHN-WZONZLPQSA-N 495.927 0.645 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778758025 RGHPGCPTZCRGHM-AUSIDOKSSA-N 499.630 0.681 30 20 JCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C2)C1 1778921360 MRHSVROFHIOBQZ-ZHRRBRCNSA-N 464.519 0.255 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)cnc2c1 1779019846 VRQQZVDOYQFGMI-ZDXRRBIGSA-N 466.542 0.918 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1)NC(=O)OC(C)(C)C 1779323264 OJTVAVBOFIAEMA-XLNZFTOWSA-N 496.605 0.827 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2nccn2)C3)c(C#N)c1 1780687521 AYGYLXHWGSLNDY-NFBKMPQASA-N 452.515 0.915 30 20 JCED COC(=O)c1ccc(OCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1 1783348614 OWXQSDYTARPDJN-WZONZLPQSA-N 458.467 0.454 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783614568 ARDHRNICZMEXEQ-DDOIHHOZSA-N 482.578 0.988 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)CCO2)C1 1783896315 YKTLTRAMLJHNAI-XOBRGWDASA-N 468.576 0.900 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1)c1cccs1 1783979651 PHVSNLAUCBQLQZ-WHLIDYPQSA-N 459.446 0.995 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2)c1ccc(O)cc1 1784017857 WIMUKAQTNMEEAW-HOYKHHGWSA-N 468.510 0.271 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](CC)NC(N)=O)CCO3)N(C(=O)OC(C)(C)C)C1 1784089421 DUVUDRFVDKCFIO-SAHWJRBASA-N 479.578 0.829 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1)c1ccc(O)cc1 1784952741 BFDZZTUAGLHERT-QIJZPMMNSA-N 482.537 0.421 30 20 JCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCS(=O)(=O)CC4)[C@H]3C2)c1 1785032437 GEPRHJBOSUGDAN-FKBYEOEOSA-N 488.610 0.201 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1785576995 KAHSKUQLXKURSE-QRQCRPRQSA-N 475.550 0.066 30 20 JCED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786693331 LMBGUVQIYPURHN-UAVXPKMJSA-N 496.630 0.932 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4nccn4)[C@H]3C2)c(C(F)(F)F)n1 1789970685 PJGUENNLLSUYHF-RCBQFDQVSA-N 463.420 0.857 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)[C@H]2C1 1790666604 SSQZUIMMBXHUJX-RTHQQOCOSA-N 469.582 0.640 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]31)C2 1790686011 BZIJQHVQADVMAL-DFEOGRTESA-N 469.542 0.906 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)[C@H]2C1 1791036931 SZZHBJMUHRLDFR-NAAXCJBNSA-N 451.523 0.914 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]21 1792255324 HOTNOUVLFMFKKU-SPOLIRPYSA-N 499.630 0.563 30 20 JCED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1792636236 KOYFLRHFGHEUCR-SSTJLMRISA-N 484.553 0.898 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2ccccc2[C@@H]1O 1793031798 GJOLDZGDXYKSOK-WYQFUVIFSA-N 453.539 0.730 30 20 JCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O)c1ccccc1 1793762164 UYOONMXRJUZZPB-VQQMMKBISA-N 452.511 0.325 30 20 JCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794107958 DGEACRWCYQYCDK-PMUIAIRXSA-N 450.561 0.537 30 20 JCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(N3CCCNC(=O)C3)n2)c1 1794506901 WHIJBTJKFKYYRI-FAQVEIGNSA-N 477.525 0.125 30 20 JCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2)[C@@H]1SC(=N)NC1=O 1796421923 JLCXOYDNHMYHCE-CCVIWZPMSA-N 455.540 0.493 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOC1=O 1797170162 MKQODVZVVJCSIL-FKGOBVFQSA-N 492.573 0.888 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1797811405 MYOQQVUFOJFGFZ-NQCHAQBASA-N 493.582 0.969 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)n1 1797910175 PUKRLFSLDATDPC-LLQNAPDVSA-N 455.515 0.589 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1799232389 FDJRLEGRGPJVLN-IHEQNBGGSA-N 494.589 0.336 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2 1799233326 SGQJZFCDERTBMK-ZSXDVEMLSA-N 464.563 0.407 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1799320663 LQEKCQFNLYIRBM-WXQHOCMDSA-N 493.561 0.034 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807148303 XEMNQZDPNBBEQY-RCCFBDPRSA-N 460.535 0.434 30 20 JCED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)c(=O)nc1O 1810288880 AEIJJPFMVJPNLF-OLSSBIMVSA-N 481.557 0.830 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812872419 CPVIJQACQUMLAQ-PLMTUMEDSA-N 484.509 0.754 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1814438442 XXECWAKTZHUDJX-AFNCTOJWSA-N 452.475 0.463 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCNC4=O)sc2C1 1818910297 NGEDNVSASDSOEW-STQMWFEESA-N 456.528 0.737 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819776407 BNWYCISMJJKDLG-BCIQXSPZSA-N 450.565 0.678 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1823743862 IIHZNNRXSAVWNI-HPFMTEOYSA-N 467.530 0.509 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)CC1 1823749905 ZYVAAMIDWNRNAG-XPWGKKGLSA-N 484.601 0.935 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ncnn3C)CCN2C(=O)OCc2ccccc2)C1 1828665623 SWDWOSCXRUBGKV-KBMIEXCESA-N 494.552 0.919 30 20 JCED CN1N=C(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CCC1=O 1829898416 DGMOYZYFHFYMSJ-QHCPKHFHSA-N 453.499 0.165 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830059717 DOBLTSIXVGMWDE-OPAMFIHVSA-N 468.551 0.268 30 20 JCED Cn1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)c1=O 1830456548 LZINMLMMFZGWRK-RUZDIDTESA-N 464.522 0.960 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1830573862 RLOVVZBPNZGSDA-YWZLYKJASA-N 477.505 0.540 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831666435 NJUJUWLJPANTFV-LJQANCHMSA-N 461.540 0.948 30 20 JCED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1831723402 MTHPABJOGZTPCJ-QNFHRHJVSA-N 487.619 0.786 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1831997901 HSXNFBBWJVQRFE-VGOFRKELSA-N 478.550 0.204 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1832462318 IHLNYBSZHNLKGR-NRFANRHFSA-N 460.593 0.432 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833618215 ZVWUJBBRGMZVTK-JPYJTQIMSA-N 453.499 0.376 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)c(O)n1 1833699598 FBYUVSDSAQLHJF-OPAMFIHVSA-N 471.518 0.224 30 20 JCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1833705825 SPCGKIHFSYSLGM-UHFFFAOYSA-N 465.664 0.641 30 20 JCED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1833866895 ALZLZDMDNLCBKA-QHCPKHFHSA-N 469.498 0.449 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c(Cl)c1 1834675865 HBWYZZFGNRGNEL-FQEVSTJZSA-N 474.993 0.990 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834768719 LMZLGJZOUSGFJP-MRBHHPDMSA-N 492.573 0.628 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1835675576 WRVZHYLFWGCSDU-VWLOTQADSA-N 499.568 0.723 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1835680616 ISRUUWGRQVPUHE-GAJHUEQPSA-N 458.563 0.253 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835705336 GKUQWDGMLFLAHG-VWNXMTODSA-N 465.510 0.488 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835755321 BHADFVDOYCHEDI-NJRDNMGOSA-N 493.605 0.525 30 20 JCED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)C2)n1 1836069330 JXSPWGQTCWGQII-HXUWFJFHSA-N 494.430 0.976 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccnc1)CCO2 1836180485 MDQQWKGZOQBFAU-FYPJQRNGSA-N 460.531 1.000 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837242957 BZRQEHBSMUYGHT-BGOLNKOXSA-N 451.520 0.926 30 20 JCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837374466 GVCHMSJLTUDPEE-GAJHUEQPSA-N 476.961 0.856 30 20 JCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443900 UCHAEWHEGCRKOR-RWOVVYLESA-N 469.546 0.579 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1837444041 PIRDQYZBSQRNNA-RWOVVYLESA-N 454.531 0.876 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837644958 ZHPBBKUVMCYDPL-CVDCTZTESA-N 459.547 0.069 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=C4c5ccccc5C(=O)N4CC3)CCO2)C1 1838458222 VNGHGCHINJUHSK-WXTAPIANSA-N 479.533 0.752 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCc5ccc(C#N)cc5)C4)C3)CC2)CC1 1839106288 XRFSJDKPWVEJQI-AREMUKBSSA-N 495.624 0.727 30 20 JCED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839133125 ZSSXCIPIMRJUKX-PVAZPRTOSA-N 477.583 0.724 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C(F)F)C2)C1 1839173951 WXUXEDVWZOCMTI-OAQYLSRUSA-N 470.473 0.937 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1839227464 ROYZAVKWRCOPJF-CWNBPXTLSA-N 476.530 0.709 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1839227751 XMSZQMBGSCGYKO-VFNWGFHPSA-N 477.543 0.627 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)nn1 1839362670 GVFHPCXGKIEVNW-HSZRJFAPSA-N 451.483 0.935 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839385662 DMBUBENGGOHREL-GBXCKJPGSA-N 473.526 0.338 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(N)=O)C3)C2)cc(C(F)(F)F)c1 1839443500 LYBGFOUVBPUUGE-FQEVSTJZSA-N 468.432 0.913 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CN5CCCC5)C4)C3)c2c1 1839486001 HTFJQBZMDLNRFZ-QHCPKHFHSA-N 452.515 0.600 30 20 JCED Cc1ccn2c(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)NCCC#N)C4)C3)cnc2c1 1839601252 NDPHGTRXJNUCQZ-XMMPIXPASA-N 468.558 0.995 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1839655084 DMHIRJNQPHIBCP-HSZRJFAPSA-N 489.598 0.050 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839665830 AJDLFNRQRKHPRO-SGXKBVARSA-N 464.588 0.611 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C[C@@H]3CCOC3)NC(=O)OC(C)(C)C)C2)C1 1839808585 VDWPRPYSSCHEPP-IUKKYPGJSA-N 465.547 0.396 30 20 JCED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc2c[nH]c3nccc-3c21 1840043398 VZFDBYDEVXJJTR-HSZRJFAPSA-N 465.466 0.164 30 20 JCED CN(C)c1c(F)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1F 1840043783 UNKUOYZPNSDZSQ-OAQYLSRUSA-N 451.426 0.189 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1840164988 UNRMZYXFJKWXHL-JPDULQBJSA-N 499.630 0.786 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1840230157 AZRQYCZARYGRJA-HXOBKFHXSA-N 456.499 0.163 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840360001 VOFZISVJXDBAJS-FDDCHVKYSA-N 490.561 0.041 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CSc2nc[nH]n2)CCO3)c1 1840378938 NSXKWNAICDQURT-JOCHJYFZSA-N 470.555 0.858 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)CCO2 1840881797 OCTKJINEYZSPJK-PLOUGOBLSA-N 479.574 0.784 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(C)n3)C2)C1 1840906872 KUYOLFBKSXLXAT-UZUQRXQVSA-N 476.530 0.970 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1841054255 DHTDYZLQUWYCFD-KTKRTIGZSA-N 464.526 0.555 30 20 JCED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843809251 MASKRDCRIAXCRO-ZMOGYAJESA-N 462.514 0.860 30 20 JCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)COc3ccccc3C#N)C2=O)cc1 9802701 YESVKCMKKZPRAE-JOCHJYFZSA-N 452.423 0.987 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)CC2)cc1 10451973 YZBYXQZAPNDGTE-UHFFFAOYSA-N 459.528 0.646 30 20 JCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 517811306 CKKMOWBYQRHALU-SFHVURJKSA-N 452.581 0.502 30 20 JCED C[C@H](c1cccs1)n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C)c1=O 522625034 HVNKFMQGQFCWSQ-CQSZACIVSA-N 455.565 0.676 30 20 JCED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc([N+](=O)[O-])c3)c2=O)cn1 608884716 SSYCBKXAIUBRHV-UHFFFAOYSA-N 493.501 0.573 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O 608911039 FRMNMXJYEJUOAO-UHFFFAOYSA-N 454.430 0.323 30 20 JCED CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 853708225 JGXCXIFPARLAFO-HNNXBMFYSA-N 480.543 0.738 30 20 JCED Cn1cc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)cc2)c(=O)n(C)c1=O 884229769 ABEXOFNIKJRSKE-SDMNGIDPSA-N 461.496 0.608 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cn(CCO)c(=O)nc4O)no3)CC2)cc1 904861518 SDRGWPPFEQLASE-UHFFFAOYSA-N 472.483 0.431 30 20 JCED CS(=O)(=O)Nc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 916421950 QMOGFTHVHNMUAW-UHFFFAOYSA-N 451.482 0.634 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1C 917353866 YCEMFXILNXFCSI-UHFFFAOYSA-N 483.331 0.707 30 20 JCED C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)[C@@H]1CCS(=O)(=O)C1 919988826 FYBBLMOOAPOZNH-CVEARBPZSA-N 468.553 0.825 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)C1 1288977641 QNJKTPZDTUBKHK-DNVCBOLYSA-N 467.621 0.738 30 20 JCED CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1315002766 IHOAAHZVVXSTGD-UHFFFAOYSA-N 475.575 0.583 30 20 JCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1503839974 SWCCDCJUYKDBEJ-SFHVURJKSA-N 475.575 0.583 30 20 JCED C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1613010498 KTABXMYHOSCJND-LJQANCHMSA-N 466.590 0.748 30 20 JCED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1620357513 XUPCJYNGKNDKGL-HUUCEWRRSA-N 464.573 0.823 30 20 JCED C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(C)(=O)=O 1692662231 PSDWDPQIGXOWMI-AWEZNQCLSA-N 454.578 0.978 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1706076038 WVYFXTFLGFPKEQ-QZTJIDSGSA-N 483.639 0.442 30 20 JCED CN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCOC1)C1CCN(S(C)(=O)=O)CC1 1711028150 MGUUHQOIPAWTNL-OAQYLSRUSA-N 460.560 0.828 30 20 JCED N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC1 1731184977 NGZGBSKWFCJRJS-OAHLLOKOSA-N 458.473 0.809 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCOCC1 1741804205 YFNCBWGJMLPDER-IAGOWNOFSA-N 469.612 0.460 30 20 JCED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)NC(C)C 1747188072 JNOMSZHMAPTKNS-UHFFFAOYSA-N 462.580 0.736 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCCS2)C1 1750212092 YDJHBLYIKXDGMF-PMPSAXMXSA-N 456.594 0.625 30 20 JCED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760299901 LQJZLVLJAUMWBQ-ZDUSSCGKSA-N 461.386 0.893 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC(=O)N(C)C 1761499057 ZGAGGOSADXPPOL-OAHLLOKOSA-N 492.581 0.704 30 20 JCED CC[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1763373595 DBCXZMNKMDWJSR-DYESRHJHSA-N 459.576 0.934 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)C1 1778970767 DWWJTCPCNFPPOO-DVECYGJZSA-N 456.543 0.743 30 20 JCED Cn1c(=O)c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)nc2ccccc21 1779018612 CAAUQSFXAVETID-LPHATQMZSA-N 466.542 0.849 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1779176876 MWGHZIVATTZVJE-BXKMTCNYSA-N 462.510 0.539 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1779606900 UQACPOQADSZHLY-IYZQMXKPSA-N 450.499 0.774 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(c4ccccn4)CC3)C2)C1 1780955675 GILQAYFGGFYCFO-KBDOHKNDSA-N 467.570 0.986 30 20 JCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781201898 QWDFIBUFMYUYKT-HSZRJFAPSA-N 481.594 0.639 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1)[C@@H]1SC(=N)NC1=O 1781786911 MWBQOWAHKWXNBO-ICSGCJEQSA-N 455.540 0.999 30 20 JCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015617 STYRBZDZYPFBKT-JSMQRPJFSA-N 493.557 0.349 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783603267 OROJWASDSSAZOR-AOMKIAJQSA-N 451.520 0.686 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(c4cc(OC)ncn4)CC3)[C@H]2C1 1784242231 FCBPGRZKDGXTKH-HZEGPAAWSA-N 485.585 0.720 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](Cc4cnc[nH]4)NC(C)=O)C3)C2)c1 1784372104 MLNQFVVTFRZBRK-QPPBQGQZSA-N 480.525 0.481 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1784483206 OQXPAYKOIZDUSE-BPBFDTGDSA-N 493.601 0.765 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C[C@@H]21 1784485483 MSOPWFWFNYLNMN-JSCGBJRHSA-N 459.518 0.962 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C[C@@H]21 1784486144 ZTYRRKQEJFGSIY-WLNKUXMVSA-N 479.574 0.688 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC)NC(C)=O)C[C@@H]21 1784786305 VCIWOMIPCHBNKQ-FSGKZVOOSA-N 496.605 0.587 30 20 JCED CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1785286900 VCNHRJAZJJZCLB-LJQANCHMSA-N 454.888 0.275 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1785578200 XAHXPDIWJHWVOR-ZHRRBRCNSA-N 459.503 0.542 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786743426 IXTCXYJLOFTJCF-XSLAGTTESA-N 466.579 0.914 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c(C)cc(C)nc34)[C@H]2C1 1787906384 FMECGYNANZEKAD-HYGDWFSYSA-N 466.542 0.798 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)C[C@@H]21 1791072712 XJJJCELDVNOEPS-IEZWGBDMSA-N 454.439 0.617 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1792222897 BICQMXJSKLVXIB-QBYUYEEZSA-N 452.508 0.336 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nnc3C)C[C@@H]21 1792257983 RMBNUQQRWLYCDX-QAETUUGQSA-N 460.535 0.623 30 20 JCED CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1792270153 QLJBIGDAEMOSEO-LLYLOPHFSA-N 465.547 0.994 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792628220 KHMSMPBJZHAROO-AJYBTWMASA-N 493.605 0.544 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793086041 LUUQUHXWKMJMTF-UYTYNIKBSA-N 455.552 0.443 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794504568 ZNOVRCHJAKEQLA-AYMMHLMVSA-N 471.558 0.202 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1 1798730064 NBLJCRMLUCNBQB-KPEUIFRASA-N 464.519 0.840 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(C)C(=O)CC2)C3)c(C#N)c1 1799238533 LHQGHXQOWSSUAZ-FAQVEIGNSA-N 453.499 0.307 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2 1799303764 VZJBBIBPCDRSFV-KHUIQGCPSA-N 485.581 0.986 30 20 JCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1799391040 DKRRVJHZRVSMIW-QSNWEANLSA-N 486.573 0.412 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1802125631 LDBSSSOPOCNXAX-SFNKJDCFSA-N 478.546 0.335 30 20 JCED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2c2cccnc2)CC1 1809672786 WATPAKPJWOUTTH-NZQKXSOJSA-N 463.542 0.765 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1810249876 AITHUPOHRKSLLF-TXPKVOOTSA-N 452.515 0.863 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810392827 OGXYCTSSSFGTHK-XPVGQMKPSA-N 455.515 0.450 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811181761 JVXGAERHEWWTDF-WUDFEMJASA-N 463.498 0.149 30 20 JCED N#Cc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826322683 JYHPNCFMHNFDCL-AWEZNQCLSA-N 465.491 0.931 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1826876428 AXJMEOWQLXJDDW-QZTJIDSGSA-N 464.563 0.936 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1)N1CCN(C)CC1 1828807991 DBIABFAQHMTEGI-HFZDXXHNSA-N 496.612 0.988 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCN2C(=O)OCc1ccccc1 1829138018 OTCFICPSAOLTPM-RDPSFJRHSA-N 470.526 0.223 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCN2C(=O)OCc1ccccc1 1829138081 RMLXCYYZSOAPFU-KOSHJBKYSA-N 452.511 0.762 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1830575816 YZBDHYLQJZXSSU-DVECYGJZSA-N 488.541 0.514 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C2)C1 1831388494 ZBXSYHRETZCKTO-GAJHUEQPSA-N 467.563 0.784 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(N4CCCC4)ccn3)C2)C1 1831391408 AOTUVZCVFLESKL-YADARESESA-N 456.543 0.790 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831420378 XVSXQHYLRAQFKH-GLDPYIMESA-N 497.589 0.670 30 20 JCED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831519116 ZRNNGIITXUGPHK-UYGSHGSRSA-N 455.515 0.912 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1831999690 ACSJFEOEYVVTSY-NXMSCROESA-N 494.589 0.438 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1832000428 OXJGHQJUHASOEX-QSAZIKIQSA-N 482.578 0.437 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)COc5ccc(Cl)cc54)CCO3)C2)CC1 1832354348 TXRZIBQHMLAMFA-HSZRJFAPSA-N 488.928 0.826 30 20 JCED O=C(CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)N1CCCC1 1832423915 KCAVXVKUWNYBOK-NHMXVPMISA-N 460.531 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cn3nnc4ccccc43)CC2)CC1 1833073964 UBLYYXQAZOAIGC-FPLPWBNLSA-N 479.585 0.861 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CC[S@](=O)CC)CC2)CC1 1833074956 HVYOEVFSHCWIEJ-QKZGEJFESA-N 452.621 0.575 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833570303 OINUWPFVAGPBTL-IIBYNOLFSA-N 452.483 0.426 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)NC(=O)CC)C3)C2)c(O)n1 1833695904 JGYORKPVEWJKIG-BXKMTCNYSA-N 474.558 0.891 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)nn4)C3)C2)c(O)n1 1833700229 SESDIOCNQSEIIH-DEOSSOPVSA-N 499.524 0.550 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834563336 HYYCQLVJXPOWPT-GAJHUEQPSA-N 457.531 0.465 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1835682654 OYULPQDWCMRJJO-QFIPXVFZSA-N 455.519 0.310 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)N4CCOCC4)CC3)CC2)cc1 1835766959 SCAGOJLLVHAHSK-DEOSSOPVSA-N 455.559 0.394 30 20 JCED CN1CCN(CCC(=O)N2CCC(N3CCC(NC(=O)C/N=C/c4ccco4)CC3)CC2)CC1 1835778009 ILFACDFDRMRVET-LGUFXXKBSA-N 472.634 0.908 30 20 JCED O=C(O)c1cnncc1C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835920376 IGTAYFDNLZNQGI-YNYZQSIGSA-N 488.545 0.889 30 20 JCED O=C(O)c1cnncc1C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835920445 OZMKEBXBKXSXKQ-WGOQTCKBSA-N 471.562 0.832 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835972259 NTRJLHMUVRKOCM-HXUWFJFHSA-N 452.943 0.275 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c(C(F)(F)F)n1 1836320845 SOSPFAXIUKPUTB-HXUWFJFHSA-N 497.430 0.494 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cc(C)cnc34)CCO2)C1 1836949349 JDVKJVJGQKHRLF-JTSKRJEESA-N 458.519 0.909 30 20 JCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837485997 SUGKSYOISLRNFK-KOSHJBKYSA-N 480.525 0.684 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1837486815 QXZZJZDBUQSRMM-ATIYNZHBSA-N 484.549 0.981 30 20 JCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837690393 QGYKOCWDOYPNKB-HOYKHHGWSA-N 454.527 0.638 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1838498901 ICYTWWFEJFAHOG-HSZRJFAPSA-N 471.514 0.142 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1 1838581879 UAJBJPUYLIJQPH-QFIPXVFZSA-N 469.454 0.152 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1839174179 KEMWWGCIOSOHFY-HXUWFJFHSA-N 452.895 0.709 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)[C@@H](C)ON=C(C)C)CCO4)C3)(C1)C2 1839227369 DGRNWOHWECXIEY-RQTSHOTFSA-N 451.520 0.587 30 20 JCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1839388574 WFJXZGSBUMVXFR-ACJLOTCBSA-N 467.441 0.404 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1)CCO2 1840008443 HKRGKRSYCCBWLK-YADHBBJMSA-N 453.511 0.815 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(Cl)c(F)c3)C2)C1 1840039719 FQDCXTNTQUQYHQ-HXUWFJFHSA-N 454.838 0.402 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OCC(F)(F)F)n3)C2)C1 1840041026 LKLWCINWFOJOEJ-LJQANCHMSA-N 471.388 0.181 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1840162006 JGFKOIBENYKDDM-NPMXOYFQSA-N 485.566 0.885 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1)c1ccc(O)cc1 1840220405 NJHIRXOHOOYPFW-YPCDYVTLSA-N 483.565 0.872 30 20 JCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1840292339 IYZWTOYAQGDUHV-OAQYLSRUSA-N 464.544 0.102 30 20 JCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)CCC1 1840815992 MRAGBQZXGJUWKM-UUCGHWEQSA-N 457.483 0.967 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])CCO2 1840897449 DLTIGCRSBWYCCL-VTWFOPJWSA-N 484.509 0.923 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1840909160 NPXGTURYEMILRN-SBUREZEXSA-N 491.545 0.294 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOC)C2)C1 1840912121 ANQLEJAIYSVSCS-MQNAVGNWSA-N 467.563 0.949 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3)c(=O)n2CCCC(=O)OC)CC1 501772948 JFULUJNDRHKVBM-UHFFFAOYSA-N 498.605 0.539 30 20 JCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 506544998 GYGNPKOHZCHHFO-CALCHBBNSA-N 493.586 0.782 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(Cc3cscn3)CC2)CC1 514007144 AUSFFCXVWAATSQ-UHFFFAOYSA-N 474.612 0.665 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(C(N)=O)cc1 523251755 IOUQEQCKVAXPGC-UHFFFAOYSA-N 469.548 0.110 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(OC)cc3OC)c2=O)cn1 554871539 VIWQSWOTALOGDU-UHFFFAOYSA-N 495.561 0.494 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cccc(I)c2)C1=O 726043767 YJCJOANQOKFXGO-UHFFFAOYSA-N 471.207 0.750 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)c1 729671675 USLQRHIHSZEGAJ-UHFFFAOYSA-N 477.608 0.628 30 20 JCED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3ncccc3c2)c1=O 729673455 QCYGTVHQWIWHCC-UHFFFAOYSA-N 468.560 0.284 30 20 JCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NCc3ccc(C#N)cc3)cc2)CC1 746548337 MISGAJMSECTBCC-UHFFFAOYSA-N 484.534 0.884 30 20 JCED COc1ccccc1N1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2C2CC2)CC1 839377850 GCYUJSMSGPRWCL-UHFFFAOYSA-N 490.589 0.839 30 20 JCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912685287 CFPDYIWDXKHWIO-VBKZILBWSA-N 450.517 0.407 30 20 JCED N#CCSc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914654408 UCCJJVPJSBXCOM-ZIAGYGMSSA-N 451.526 0.820 30 20 JCED CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)ccc21 917228852 CHCMFXKZSMZPES-UHFFFAOYSA-N 491.547 0.975 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(=O)N(C)C 918730237 UKGNTMXKGASMTO-UHFFFAOYSA-N 481.397 0.627 30 20 JCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1503462858 ZNENVCPLWPHLBG-SFHVURJKSA-N 478.600 0.724 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(C)COC1 1510210467 KSGZWYNSFFIFCE-HNNXBMFYSA-N 460.564 0.518 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1629454248 VSXPBPMBCPZUEV-ZBFHGGJFSA-N 452.533 0.977 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1706078288 VOHHBYRUJULIQM-DOTOQJQBSA-N 462.580 0.716 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CC[C@]4(CN(C(=O)CCC#N)CCO4)C3)CC2)CC1 1778321411 WHGPGOZSJXUARO-DEOSSOPVSA-N 459.591 0.843 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Br)cc4[nH]ncc34)C2)C1 1778645930 CMOIYCDIPRGMFL-IBGZPJMESA-N 461.272 0.857 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2 1779362443 LQBFVZKATNLZMX-VXCQTLHCSA-N 483.635 0.398 30 20 JCED Cn1c(=O)c2c(CC(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC3CC3)C4)csc2n(C)c1=O 1780539428 OBQSALPNQBSQTJ-IQGLISFBSA-N 498.605 0.769 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[C@@H]3NC(=O)OCc3ccccc3)C2)C1 1780963908 LJGUCPPKAROORL-OHUGHZGNSA-N 483.521 0.999 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)ccc1Br 1781902926 IFAOLMPKAURUPH-OAQYLSRUSA-N 499.325 0.967 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NCc3ccc(OC)cc3)C2)C1 1782781051 QLGZJKWOVGSJGE-CLOONOSVSA-N 471.554 0.960 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1)c1cccs1 1782956182 GLNAUKVFPIOCHT-HOQHSMRBSA-N 452.554 0.894 30 20 JCED O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1)c1cccs1 1783979650 PHVSNLAUCBQLQZ-OAJJDEHYSA-N 459.446 0.995 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784260681 QYTHMDBLAFQPFW-HXOBKFHXSA-N 480.562 0.869 30 20 JCED Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2Cl)CCO3)c(=O)nc1O 1785352711 FJWBDQSRIZTBLL-JOCHJYFZSA-N 471.901 0.926 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1785682426 OONUYBYBSXMJAL-HRAATJIYSA-N 453.511 0.814 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]2C1 1786848133 YAZNLMBMZYDBMR-OKYOBFRVSA-N 496.605 0.718 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1 1786893790 NHIQDNHTTAMKQY-ATIWLJMLSA-N 482.578 0.498 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1)NC(=O)OC(C)(C)C 1786894663 WPPFXCYRLICBRA-PJVZLEMVSA-N 495.621 0.418 30 20 JCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1)N1CCN(C)CC1 1790143312 GKHZDFYPAMCCRH-QGQQZZQASA-N 453.587 0.982 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)COc3ccc4scnc4c3)C[C@@H]21 1790793444 HSWBWFGHFJUUFS-IEZWGBDMSA-N 470.551 0.794 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791078944 MWRIZYMHKCUQPL-XSLAGTTESA-N 463.531 0.701 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ncccn3)C[C@@H]21 1792261890 SNPJGWPEAMCKCA-OKYOBFRVSA-N 471.558 0.915 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1793341491 WGPNCJMNXMKFKS-RXNNHNSHSA-N 493.601 0.622 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN(C)C(C)=O 1793743089 DWJKDNOVVOUQQY-AJYBTWMASA-N 466.579 0.914 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1793823425 NEHYZCZJLFOJHL-RCJHGTSTSA-N 457.593 0.771 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1795601019 MNZPVYKQRRFCTO-SPHOGXRMSA-N 483.613 0.493 30 20 JCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)C3)cc1 1798920992 UEQHTXLYWNVUBU-LJCCNALRSA-N 463.494 0.768 30 20 JCED COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1799382513 LTVXUYZRCNXXOW-MWZSMPGESA-N 488.581 0.714 30 20 JCED COc1cc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc(OC)c1OC 1800778684 BUGWKLGBPIGFAP-VWBMKSIYSA-N 458.467 0.403 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cccn1)C2 1802127687 WMBURZVOJUMGRE-ZSXDVEMLSA-N 459.547 0.950 30 20 JCED CN(CC(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1802579324 BHNWJDRATKSIPQ-UGKGYDQZSA-N 463.494 0.745 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC3(CCN(C(=O)C(C)(C)C#N)CC3)C2)n(C)c1=O 1806899123 QVILMEAKALBVAJ-UHFFFAOYSA-N 469.546 0.215 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810487870 MGVOJGOTRFZOTC-UHFFFAOYSA-N 467.530 0.356 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C(C)(C)O 1812882778 RDTNVMBRJDJDAF-FFZOFVMBSA-N 488.541 0.840 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1813039729 AETUCTUYHGEIKS-VNDHCKRVSA-N 491.639 0.586 30 20 JCED N#Cc1ccc(CCC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)cc1 1816667112 IORSMSBNANFVTB-AWEZNQCLSA-N 489.521 0.999 30 20 JCED C=CCSCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=N)N)C2)C1 1828629174 QUILJMXAXFJGIR-QHCPKHFHSA-N 488.614 0.841 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1829333613 AXMOMHXDYPFNMZ-YZZKKUAISA-N 457.458 0.885 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2 1829635809 QFGKTLJUCUAYQJ-XBEJUPMFSA-N 454.527 0.987 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3COc4ccccc4O3)C2)C1 1829762553 LOOHEZOGEJLQJH-YTRVONPVSA-N 485.537 0.531 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1829770476 SQLQOSKBLFHNQD-POUSAUBHSA-N 480.525 0.400 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)nc5sccn45)C3)C2)cc1 1829904004 KBIPBZXYYLGWOM-DEOSSOPVSA-N 493.545 0.940 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CC)CCO2)C1 1830534067 WNJPCRDPBYBYBT-IEGYKGNPSA-N 467.563 0.683 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]3C[C@@H]3N1C(=O)OC(C)(C)C)CCO2 1830747759 NDUMCWJFQAKLRU-NWDJMSLTSA-N 491.585 0.879 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1831401617 DAQPWXZCJSNKQM-AOMKIAJQSA-N 482.530 0.338 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(=O)OC(C)(C)C)C2)C1 1831402551 KDMVNISVCWUTMM-PMAPCBKXSA-N 467.563 0.784 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1831404734 TUCRWWZTMWADGX-HTAPYJJXSA-N 483.537 0.440 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1832460956 LJQIMFGDZNJZEM-HXUWFJFHSA-N 466.516 0.132 30 20 JCED COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cc1F 1833484981 VVHIRXOFUQEDGL-XMMPIXPASA-N 475.517 0.998 30 20 JCED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1833489965 BKDVPENKZYYAJD-LJQANCHMSA-N 462.620 0.766 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(Cl)c(CC)nn3C)CCO2)C1 1833590111 AXZCBHUOTHVZPL-YCRPNKLZSA-N 452.939 0.744 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2C)CCO3)c1 1833873372 WXYOMKORUCCKHT-DEOSSOPVSA-N 466.494 0.649 30 20 JCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(N4CCCNC(=O)C4)n3)CC2)CC1 1834034512 NZZOYNVUYXVRMG-QGZVFWFLSA-N 488.658 0.911 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cnn1C 1834430436 VMFNBWYCJINSBK-QHCPKHFHSA-N 453.499 0.749 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835766691 MWRKXMVMDWWSKG-JTSKRJEESA-N 453.584 0.010 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c(C(F)(F)F)n1 1836322012 VRPANTJTOHJZPK-FQEVSTJZSA-N 478.431 0.939 30 20 JCED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1836762644 XFUFDKPHWCUVAX-PNLZDCPESA-N 450.536 0.859 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1837399629 YFZCHEHIYHVDNV-KSFYIVLOSA-N 469.485 0.887 30 20 JCED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)ccn1 1837490947 GQCNRRLXGVWVQS-RUZDIDTESA-N 484.553 0.809 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)C[C@H](NC)C(=O)O)CC2)CC1 1837886349 ZDWTYWOOCACYFA-SFHVURJKSA-N 453.536 0.557 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OCCCO)cc1)CCO2 1838547812 MAMOVADZFQBVNM-AUXZNKLVSA-N 488.585 0.990 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)CO1)CCO2 1839080851 MEYDKSJAVQDMQF-KKSFZXQISA-N 487.500 0.347 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(CC)c3F)C2)C1 1839174375 YGBCGJKQPXIYDM-OAQYLSRUSA-N 452.483 0.691 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1839176504 SJGDKFUSZMWEFE-HSZRJFAPSA-N 456.499 0.914 30 20 JCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839387235 DQPFWPDPXFCKTO-WZONZLPQSA-N 474.514 0.471 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452616 MRPSEMGQAHAXFA-ZJSXRUAMSA-N 487.509 0.432 30 20 JCED Cc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)c1F 1839487376 FSUBCFCOASSMMK-JOCHJYFZSA-N 467.461 0.989 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)Cc5ccc(O)cn5)C4)C3)c2c1 1839488689 BTUMYGYHDFTDAD-DEOSSOPVSA-N 476.493 0.848 30 20 JCED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)ccc1F 1839783520 HGPWWZAVJWARMI-SIKLNZKXSA-N 479.530 0.273 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c3cccnc3)C2)C1 1839806249 HDAMMUZFKVFFDL-CVDCTZTESA-N 458.515 0.737 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C2)C1 1839808240 VMXSFVKHLPHCRB-OSPHWJPCSA-N 495.573 0.701 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(-n4ncc5ccccc54)n3)C2)C1 1840041235 ZJBNEIQOQODDJQ-HSZRJFAPSA-N 495.517 0.640 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c(O)n1 1840356455 RAAKOKJJSGLBPO-HSZRJFAPSA-N 470.530 0.658 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c1 1840716407 JGWYVCPWEWLOCI-GAZXMLTASA-N 473.526 0.999 30 20 JCED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1)NC(=O)OC(C)(C)C 1840796088 TXTJZZJKIFMKCG-JPYJTQIMSA-N 492.577 0.594 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840856305 KWXHBLSCTQVOIR-RDPSFJRHSA-N 474.533 0.879 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](COC)NC(C)=O)C2 1841747431 RPFNYPKYEICRNZ-DLBZAZTESA-N 452.552 0.810 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2[nH]nnc2C)C1 1843161649 DNNWBYIWTQSSIR-HNNXBMFYSA-N 491.549 0.736 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)c3cc(=O)nc5cccnn35)C4)c2c1 1845582162 WWCMPWXTQPWVFG-UHFFFAOYSA-N 454.450 0.968 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 1846122810 WASVEONIIKWFGZ-FPLPWBNLSA-N 487.557 0.814 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1847068775 GYHHRTKDXQCHSZ-HUUCEWRRSA-N 452.508 0.171 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 514457481 RFFVDZREIDMCPV-HXUWFJFHSA-N 473.599 0.629 30 20 JCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CCc3ccccn3)c2=O)o1 523578919 MMTCRKJOHJHXLI-UHFFFAOYSA-N 493.589 0.400 30 20 JCED COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCNS(C)(=O)=O)c1=O 524281044 CQYZGDYSFPRJAF-UHFFFAOYSA-N 490.607 0.029 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c1 604270006 BDLJOPWYYVMLRX-UHFFFAOYSA-N 468.579 0.912 30 20 JCED N#Cc1ccc(OCc2ccc(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)o2)cc1 609069909 LKWGHSXQEYGSRH-UHFFFAOYSA-N 452.467 0.873 30 20 JCED CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 727092807 DALPCDXZTGDHOG-UHFFFAOYSA-N 466.317 0.980 30 20 JCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 744994009 SAZQCRXJDHPQMM-TWGQIWQCSA-N 479.449 0.020 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 769169554 GWHWBUBJJHSYAW-SFHVURJKSA-N 489.531 0.724 30 20 JCED C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(N)=O)C1 853708990 UXVSDXKWDQSBQV-KBPBESRZSA-N 450.517 0.161 30 20 JCED Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915364233 PELIICFKIPMTAQ-UHFFFAOYSA-N 475.527 0.724 30 20 JCED COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 915778258 WFUUSHBIJZLKOI-AWEZNQCLSA-N 460.516 0.433 30 20 JCED CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 916692257 BPYQYJLTNYLJPO-HKOYGPOVSA-N 478.575 0.700 30 20 JCED Cn1c(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc2n(C)c1=O 917011490 NQMCVCFTHUYCID-QGZVFWFLSA-N 491.464 0.212 30 20 JCED C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(=O)(=O)N(C)C 1286961597 PSSQCFUKWFMOOS-HNNXBMFYSA-N 483.620 0.683 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C 1539601139 WKIBBFXJWXYDNF-STQMWFEESA-N 477.385 0.187 30 20 JCED CC(C)CN1CCO[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)C1 1541569947 WDCYASGDOZHMDF-CEXWTWQISA-N 483.639 0.706 30 20 JCED Cc1ccccc1OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1612315675 IYJKWUNZZSUNTA-PKOBYXMFSA-N 476.559 0.727 30 20 JCED COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1621629386 SYQOFUARLZHHLO-MSOLQXFVSA-N 455.558 0.926 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1706656475 SVLAKVNUBJEENJ-SFHVURJKSA-N 472.575 0.701 30 20 JCED CC[S@@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1710918393 RJNPQSXPLUNESI-HEJPQYQCSA-N 459.580 0.238 30 20 JCED CC1(C)CN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCO1 1724011653 QVSQIASDXSTOFK-GCJKJVERSA-N 495.650 0.852 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCS(=O)(=O)CC1 1751096282 OWVNQCWTEKQYIL-HOCLYGCPSA-N 474.609 0.174 30 20 JCED Cn1cc(-c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCNS(C)(=O)=O)cn1 1767465315 RTNNLZOUUGNMMO-SFHVURJKSA-N 456.532 0.677 30 20 JCED CO[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C1CC1 1768081362 WBGNYAIOEAMVPB-QAPCUYQASA-N 474.591 0.907 30 20 JCED C[S@](=O)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1771372395 UYJSVDCKYBSRGP-ITYGUNAYSA-N 463.585 0.836 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c2ccccc21 1778168442 ZGYZFKLGODDOBQ-UOHCAARNSA-N 485.541 0.699 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778711907 FSBVUOQLBMFQMS-QHCPKHFHSA-N 455.467 0.774 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019176 MWOSTQAZSPYFRR-RTGFIBOWSA-N 481.594 0.564 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104567 MFGZWXOHJGTSHT-BOPCVMIFSA-N 498.577 0.885 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779179481 AJTAZKHGCMSMKS-UUOWRZLLSA-N 469.542 0.123 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Nc2cnccn2)C1 1779389623 ZSEUBUVEVSDXNH-KKPMCJQASA-N 456.547 0.649 30 20 JCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CS(=O)(=O)N2CCCC2)C3)c1 1780179665 JXTDNEDBEZWQQE-WIYYLYMNSA-N 463.560 0.439 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2Cc3[nH]nc(C(F)(F)F)c3C2)C1 1781590672 DYNNEJCEUCYHGI-PGICJIBASA-N 468.432 0.745 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CCN5CCOCC5)CCO4)C3)c2c1 1782195241 YFDKYTKAZDIGCD-QHCPKHFHSA-N 452.515 0.600 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C2)C1 1783504895 VJUCMNYPUQARAA-DBECHEOZSA-N 491.585 0.737 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C[C@@H]21 1784495310 HHCARJZVVLSDIO-WDSOQIARSA-N 457.531 0.907 30 20 JCED Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)cn2[nH]cnc(=O)c12 1785379670 ALGLHRAKSJBPRL-XMMPIXPASA-N 476.493 0.725 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1)c1ccccc1 1786801234 RRNXWMLTLLALJK-WIYBCGNWSA-N 454.571 0.756 30 20 JCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(=O)(=O)N4CCCC4)[C@H]3C2)cc1 1787503589 LPCIEDYDYLZPTG-FKBYEOEOSA-N 488.610 0.896 30 20 JCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1788603779 SUNCHORPIBCCIT-ZITLTNSUSA-N 474.518 0.208 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1789904182 HDYDUQLEZPGAQT-VMXHOPILSA-N 478.590 0.962 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1789934497 GFLSZWCZVCBBLP-QAETUUGQSA-N 450.536 0.546 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C[C@@H]21 1790794692 FHZRNOOBWIYMTJ-XSLAGTTESA-N 478.546 0.405 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1792255236 BNXWHYRCUFIXPZ-XSLAGTTESA-N 478.546 0.335 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C(=O)OC(C)(C)C)C1CC1 1792635732 IISDUVVJFRCEBS-JABISNGYSA-N 476.574 0.834 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O)C2 1793349650 FSUYAIZTMZGRCX-RYQXAFMISA-N 459.518 0.501 30 20 JCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O)C(F)(F)F 1794405346 LYPWIOGZGKQURW-YWVIFJGQSA-N 461.462 0.948 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C\C(=O)NCC=C)C3)c(O)n1 1794487781 NRJLQKAMAJXXFO-KIOJXLHQSA-N 454.527 0.967 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796074089 AWDYQKBNQQZLCV-VYCZESIESA-N 451.545 0.421 30 20 JCED Cc1nc2ncccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1797005480 INXCCJZWGXMFRF-OPVJXMOQSA-N 451.527 0.940 30 20 JCED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1)NCc1ccccc1 1797739854 INIFMHFILLDXEI-BBRDPOOSSA-N 467.570 0.920 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)Nc1ccc(F)cc1 1799034106 ZSDUYZAHFZMBMX-JVDGZWEOSA-N 458.490 0.602 30 20 JCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C 1799248070 QBNFFIIJSLPHPE-AXVVYFOYSA-N 465.547 0.836 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2 1799334517 JPFFQYLAAGMJKB-VQQMMKBISA-N 472.542 0.713 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#Cc3ccccc3)cc2)N1 1799613275 UHJIAXROWKZVRH-KHUIQGCPSA-N 486.528 0.888 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O 1800517379 QTIILTYYJQSNEA-RCJHGTSTSA-N 452.552 0.701 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2)c1ccc(O)cc1 1801057310 XMMRWQUXPHDSLM-PRHHBONVSA-N 468.510 0.031 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2)NC(=O)OC(C)(C)C 1801928564 GRXQIALOJBVYSY-CLWJZODNSA-N 481.594 0.707 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)CC1 1801966849 KHTHDKQXWPNJEY-OPVJXMOQSA-N 475.590 0.823 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)CO2)C1 1801993647 XXUUDSKLSRHJSA-NXOAAHMSSA-N 461.515 0.739 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)Cc2cccnc2)[C@@H]1c1cccnc1 1802482960 ODUQEJMNGNXPCH-MZBHBBFKSA-N 462.554 0.911 30 20 JCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2c2cccnc2)CCC1 1804197199 UCXTXZKOKKCDQA-AZUAARDMSA-N 459.572 0.512 30 20 JCED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)cc1 1811890202 JCQJLAARBFFGKM-XLIONFOSSA-N 469.465 0.713 30 20 JCED CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2)C(=O)O 1815080135 DNKBCSPXFHIJIG-QTAWLIJTSA-N 453.521 0.647 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815329682 BTQXXCGQQIPOIM-NSHDSACASA-N 471.499 0.609 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)N2CCN(C)CC2)n[nH]1 1820783043 NWAZOOHTXJUKPR-MQCDJQTNSA-N 457.579 0.896 30 20 JCED CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)Cc3ccc(F)c(C#N)c3)sc2C1)C(=O)C(=O)O 1822966366 OKLNWDOTBUNFJJ-CYBMUJFWSA-N 473.486 0.852 30 20 JCED CS(=O)(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828810586 NVNFKMQUAQQHDF-QFIPXVFZSA-N 476.555 0.787 30 20 JCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)N(C)C)CCN2C(=O)OCc2ccccc2)C1 1828936388 UJGRIOUSFKNTGM-ZHRRBRCNSA-N 462.572 0.845 30 20 JCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCN2C(=O)OCc1ccccc1 1828953337 CXYZKROAUNJMMC-QFIPXVFZSA-N 494.485 0.739 30 20 JCED C=CC[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829292561 IHDSUASECCGUOK-VAXXYWNWSA-N 457.575 0.937 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CNC(=N)N)C3)C2)CCC1 1829452540 YMWNNUBVCIOVFE-DEOSSOPVSA-N 481.557 0.615 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1829765957 BJUJSVFBZMEXKV-FUMRIQNTSA-N 453.499 0.491 30 20 JCED CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2ccc(C#N)cc2)CCO3)CC1 1829901445 BKQMLOIDKPXVJU-VWLOTQADSA-N 469.586 0.195 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3(C)COC3)CCO2)C1 1830039065 ZOOLYLNWPKTTCU-UOKFIYJESA-N 479.574 0.949 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1830061713 SXSNRNJYEDXHDK-NRFANRHFSA-N 459.528 0.746 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830469601 BXYNAAYDIACRRD-GOTSBHOMSA-N 478.929 0.764 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1831999143 XHPPDQAQGVNFJE-QQMNAOGKSA-N 480.562 0.191 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ncccc1C)CCO2 1832773568 HEHVEYBWGTZYOE-QZOBCFMQSA-N 456.543 0.637 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833030361 VLVVBEJWUYXJMR-QFIPXVFZSA-N 477.587 0.216 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C(=C)CC(=O)OCC)CC2)CC1 1833075473 PWBYEMAEHZRSSJ-SREVYHEPSA-N 460.575 0.926 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833280825 KHIMIEXVFKVTQY-YADARESESA-N 488.541 0.307 30 20 JCED O=C(CCN1C(=O)C=CC1=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1833613828 PCHFPIZWEKDFEV-UHFFFAOYSA-N 462.550 0.925 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ncnn4C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1833845981 KENKILXTXOAHFT-GAJHUEQPSA-N 490.561 0.451 30 20 JCED C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338265 CFIYPDAYHRIJLV-ZHRRBRCNSA-N 450.536 0.907 30 20 JCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1835645057 PLGKTDVIZDDLGF-HNAYVOBHSA-N 455.556 0.423 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1835674663 CMOKEMRICVVOGA-ROUUACIJSA-N 450.458 0.038 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1835767877 WWQCIWQRBHHXKD-BLJGPLFWSA-N 479.622 0.809 30 20 JCED CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767987 FYQWEDBMMOYGAH-JAMLUQCHSA-N 482.651 0.571 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccn4)CCO3)C2)c(O)n1 1836163961 PPDUHOPAMLKHQX-QHCPKHFHSA-N 455.515 0.873 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1837397713 SMOSBHMEGVVZLS-WZONZLPQSA-N 461.515 0.496 30 20 JCED COc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1F 1837442572 ZTQLHLPCTIHSJT-WUKOTQDVSA-N 463.510 0.771 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837443645 NHZUTGWBFDCMGT-HBAGGBEISA-N 473.530 0.410 30 20 JCED COCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528354 HNCLPRGKRPCCFM-MKNUTXPLSA-N 466.491 0.420 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1837531148 XKFVXVQSZABQED-COQMUBBDSA-N 471.514 0.933 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1)c1ccccc1 1837614545 QELQWTWKKPSIQU-FBILRYNDSA-N 485.581 0.291 30 20 JCED CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)C(=O)O 1837885378 TXRAIEJRIAMSMF-JWGRYVKWSA-N 451.568 0.519 30 20 JCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)nc1Br 1838378878 MTLKYDXWXASTCG-SFHVURJKSA-N 453.293 0.836 30 20 JCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)CC2)CC1 1838651769 RSPWSSOEPZESQH-UNMCSNQZSA-N 490.601 0.990 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)c3cccc(Br)c3)CCO2)C1 1839054612 HLQGMQFWQWNRIA-GTCCEBARSA-N 495.370 0.977 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1839109742 SZEAAFGFTFHDGE-PNCHPQGNSA-N 465.547 0.084 30 20 JCED C[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131151 PHODWBUCYXYALE-GAJHUEQPSA-N 480.562 0.364 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)c(C#N)c1 1839132389 FGZURLJEPQTPFA-QFIPXVFZSA-N 477.539 0.384 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)c(C#N)c1 1839133553 WDEHBLBKZVPIOU-CETSDDCJSA-N 455.511 0.458 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839186085 YVQQRBRCHYLKAU-GAJHUEQPSA-N 482.578 0.568 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2)c1ccc(O)cc1 1839216510 YCYAKTABBPMIOK-WDZJFXIESA-N 483.565 0.966 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1839453632 ULCJTRBEQCWNRZ-UGKGYDQZSA-N 461.540 0.514 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532358 AOPFXLVPCZADNF-DEOSSOPVSA-N 456.543 0.598 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc5ccc(F)cn5n4)CCO3)C2)c1 1839624930 YKFWVQINNWTICQ-NRFANRHFSA-N 453.434 0.452 30 20 JCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CC(c5ccccc5)=NN4)CCO3)C2)CCC1 1839635999 IEMSJQQNVRIXSG-RDPSFJRHSA-N 451.527 0.903 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@H](C(=O)OC)C1)CCO2 1840143815 FLWIEHZLEAIPFO-LZYAQUJDSA-N 477.558 0.281 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)C1(O)CCC1 1840818052 HQWNROUIXCPDBU-WZONZLPQSA-N 457.527 0.945 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840818717 UERFGVUMYQZUSF-JOCHJYFZSA-N 453.455 0.203 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1845130646 QTZBYMBAIWFZRO-KRWDZBQOSA-N 460.579 0.727 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1847069832 SWSMGORDVZIOGK-ILXRZTDVSA-N 477.587 0.909 30 20 JCED N#Cc1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 14868554 FLZDNKPKMXXFEO-HNNXBMFYSA-N 455.539 0.824 30 20 JCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 25084268 SJVXBCQDVAIBDG-UHFFFAOYSA-N 492.579 0.720 30 20 JCED CCN(C(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 31805714 NMMZQJSRJAMWIJ-UHFFFAOYSA-N 478.465 0.040 30 20 JCED C=CCNC(=O)CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)CC1 512714004 KQSDGETXWSQPCZ-NRFANRHFSA-N 480.587 0.207 30 20 JCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CCN(C)CC2)c1=O 516827452 NKEQUCBYVJDGFG-UHFFFAOYSA-N 452.580 0.847 30 20 JCED CN1CCN(C(=O)CC2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 517520487 IAGMZUGNRXFHKI-UHFFFAOYSA-N 461.588 0.581 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(Cl)c4c(c3)OCO4)c2=O)cn1 522389489 KSEJENJBPGCCLW-UHFFFAOYSA-N 457.899 0.747 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(=O)N(C)C 604270286 LMWBBCNWZFEFGH-UHFFFAOYSA-N 498.605 0.585 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(=O)N(C)C 604472864 OQSULKBBFQOOEV-UHFFFAOYSA-N 494.976 0.836 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O 608911444 DWQRZISYRZGVRM-UHFFFAOYSA-N 467.370 0.345 30 20 JCED CS(=O)(=O)c1ccccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 749147898 SKMFCCHVTHWPCK-UHFFFAOYSA-N 491.547 0.652 30 20 JCED C=CCn1c(-c2ccncc2)nn(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1=S 798190897 RNUUDAMYMGDBTR-UHFFFAOYSA-N 457.560 0.623 30 20 JCED CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 831544416 VQSTXPYVONUPLL-MRXNPFEDSA-N 478.571 0.908 30 20 JCED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 914665025 GSSWPSZQIYMISX-HNNXBMFYSA-N 462.509 0.605 30 20 JCED NS(=O)(=O)c1ccc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 915290743 NDFSSNMDZOMRSP-UHFFFAOYSA-N 477.568 0.111 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CCOC 917768229 DUFWXRVAYVVALE-UHFFFAOYSA-N 465.535 0.279 30 20 JCED Cn1c(=O)c2ccccc2n2c(COC(=O)CNS(=O)(=O)c3ccccc3C#N)nnc12 917985453 JDBVHACESXEFHN-UHFFFAOYSA-N 452.452 0.475 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(=O)N(C)C 918730128 PQHPIYYXERRSCV-UHFFFAOYSA-N 493.358 0.705 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(c2ccncc2)CC1 1288870817 QYCALBBQUOPHGZ-APWZRJJASA-N 474.591 0.929 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(O)CCOCC2)C1 1288977261 LWQLXTDATCXWAX-YLJYHZDGSA-N 482.607 0.673 30 20 JCED CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1547771924 SQWCLAKJFUQCMJ-UHFFFAOYSA-N 466.546 0.917 30 20 JCED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1612657944 NHXVCEMOQAQGGI-NVXWUHKLSA-N 458.544 0.830 30 20 JCED Cc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 1664961722 OTSNQXOVYPELGP-KRWDZBQOSA-N 454.574 0.377 30 20 JCED C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1691001827 PJNBGFPYWKGIJJ-OAHLLOKOSA-N 450.503 0.647 30 20 JCED C[C@@H]1CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCCO1 1693849942 OJSDZNQHIFIHIM-QRVBRYPASA-N 483.639 0.850 30 20 JCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1729223447 YDPYOETZOCGTFT-UHFFFAOYSA-N 468.543 0.412 30 20 JCED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1729228979 XDBJIPSGMBVELP-UHFFFAOYSA-N 489.602 0.973 30 20 JCED Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CCNS(C)(=O)=O)cn1 1729570855 LPRPVWYMOQNBCR-UHFFFAOYSA-N 473.538 0.565 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)cc1OC 1748670300 ZDVKKARZLPRCBX-INIZCTEOSA-N 456.503 0.973 30 20 JCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749266823 LVWSAFZPMBZTMK-MRXNPFEDSA-N 463.970 0.922 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779140163 UKYITWUAEKLGPX-IOJRYNMNSA-N 478.546 0.804 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1781046962 LZVKEBQQGQGFOL-DYXSILKMSA-N 455.552 0.935 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1781861818 VNEIWTBTYDHVRT-HTAPYJJXSA-N 462.478 0.984 30 20 JCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1 1782032012 SRJDMNLCOHBLAB-WJONJSRFSA-N 451.520 0.590 30 20 JCED CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783452903 RRVNILYYDONSBR-OSPHWJPCSA-N 491.541 0.178 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCOC)C2)C1 1783666971 SVFHQUJXLHUGFL-QFIPXVFZSA-N 456.536 0.395 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)C1 1784192062 LNIRGAXZVQUUJP-XSLAGTTESA-N 450.536 0.906 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)N(C(=O)OC(C)(C)C)C1 1784601461 QZYRDLCFXABZES-HYFFOGBASA-N 475.550 0.630 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3C2)c1Cl 1785151741 DQZCCFIMYFNFMW-TUUVXOQKSA-N 459.890 0.403 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1)NC(=O)OC(C)(C)C 1785303633 BLYJKTGUOFREDP-BTYIYWSLSA-N 452.556 0.159 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1)NC(=O)OC(C)(C)C 1785309647 NQJBFQNOOBOVHO-QVKFZJNVSA-N 453.540 0.344 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1785379668 RSZZREGSWIZINI-DEOSSOPVSA-N 495.561 0.672 30 20 JCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1785609130 PIOBGALVHZBTKH-DJJJIMSYSA-N 478.468 0.704 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787016946 RJERRFUMGNIJJN-ZJOUEHCJSA-N 450.495 0.779 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787441438 JTVBOGMNRZCYEO-MPGHIAIKSA-N 453.455 0.432 30 20 JCED COC1(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CN(C(=O)OC(C)(C)C)C1 1788121899 NGQYEKMCRQHDBP-ULQDDVLXSA-N 479.530 0.080 30 20 JCED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccc(Cl)cc4)C[C@@H]32)CC1 1788190590 KFKKYJVSQSQBBA-BVSLBCMMSA-N 458.990 0.919 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1788573680 GDUWPOYZUJGDDB-VPAKFMSCSA-N 483.606 0.815 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Br)ccc3O)[C@H]2C1 1789484593 NSSRDWUXQYQCII-PJODQICGSA-N 451.273 0.836 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1789775299 SCVVFQUSHPYCJI-CABLIKTCSA-N 491.541 0.079 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1789904054 DZGKRVSGDMFSHA-OKYOBFRVSA-N 492.621 0.666 30 20 JCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C[C@@H]21)C(F)(F)F 1790884711 RUMWXOYJOFBESI-PWNZVWSESA-N 451.442 0.928 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C(F)F)c1=O)C2 1792489950 FHGMNXUYISWUAR-IDZYNVOGSA-N 450.442 0.305 30 20 JCED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)C#N)c2C1 1792631151 GBVBMNLZDPSZOH-SCAQPMJSSA-N 487.561 0.782 30 20 JCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2cccnc2)C3)c(O)n1 1794488564 IFVLNZMIFQQTGO-OPMZPASUSA-N 479.537 0.934 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1)NC(=O)OC(C)(C)C 1794594135 BNCROGCNGPBDKF-DFGXFYAUSA-N 462.551 0.878 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccccc2=O)c(O)n1 1795772860 GMCYVPWNDRMOGO-FAQVEIGNSA-N 452.511 0.971 30 20 JCED Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/N3CCCCC3)cnc2s1 1797742383 YHVNVSGLGDPGKF-RPIBDRTASA-N 472.571 0.739 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797743578 CTCJTFGZTADSHF-MUARJFIDSA-N 455.559 0.866 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cc(=O)nc2sccn12 1798415243 UGLUMYKGPMXGKD-ICAPBPQOSA-N 475.527 0.488 30 20 JCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(N3CCN(C)CC3)CC2)c1 1799193642 JNYRYALOWPTRQM-VTYHHJSWSA-N 467.570 0.550 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)C2)C3)CC1 1799236577 RWFQAEOSWFUIFG-BMFAXAFESA-N 489.573 0.253 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1799334588 NNVSWCYLXHIYRO-NALHQMNBSA-N 486.569 0.170 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNCP(=O)(O)O)C3)c1 1801762713 LTQCSTAVDKQRCS-UEILYKACSA-N 450.432 0.242 30 20 JCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1802016279 AKJYTNFGOLMEDR-UBZXZJBMSA-N 469.604 0.651 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)OC)C2 1802124703 HPRYRXDADROFCN-YYAJDYIMSA-N 483.587 0.399 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1802138608 LQJRNQGKIWQXKB-AYYYJTJGSA-N 464.563 0.557 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)N2CCN(C)CC2)[C@@H]1c1cccnc1 1802487298 HCRMICCRESKMQQ-PQSANVBQSA-N 468.602 0.582 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)C1 1804856234 XSKMOUPFOZUZPE-LIXSYLKWSA-N 463.531 0.571 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808258330 JFKBANANVVWVNE-CADBVGFASA-N 460.579 0.843 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825674393 BIGGBISTIWOSRY-MEDUHNTESA-N 494.526 0.600 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828584458 JDZDBDSFQJLOHG-YYDVJCTNSA-N 477.631 0.679 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnco1)CCN2C(=O)OCc1ccccc1 1828616389 TZKPCEQLQIRNMD-HSZRJFAPSA-N 466.450 0.828 30 20 JCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829205540 AVPPAYFVZBUKRF-YRAONVGVSA-N 476.599 0.480 30 20 JCED O=C1C[C@H](C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)CN1 1829306664 WSPCFEONWMSYKR-LVXARBLLSA-N 478.549 0.988 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332520 PVHNWLINZVSRLQ-BVZFJXPGSA-N 498.536 0.393 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)cc1 1829632567 ZFHGHXMXWXSZPD-RUZDIDTESA-N 477.521 0.981 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)c1ccccc1 1830044252 AIPLZFCEDXNWJZ-OFVILXPXSA-N 470.570 0.911 30 20 JCED COCCOCCOCCOCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1830407257 FVFJJQBUDGVLIK-NRFANRHFSA-N 482.574 0.780 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/C(=O)NCc4ccccc4)CCO3)C2)c1 1830677895 WVZATKDGHNOZGJ-NPJCXYKHSA-N 477.521 0.829 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1831390983 CEWKGVGLCGWAHS-VGOFRKELSA-N 453.536 0.348 30 20 JCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1832008314 NLJOUDAMNUWXPV-JXQFQVJHSA-N 478.590 0.704 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1832456704 WFSOIVHTAXUWCU-NRFANRHFSA-N 460.560 0.730 30 20 JCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1833149592 VVWWEPBCFHWLBU-UHFFFAOYSA-N 451.531 0.824 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccnc2OC)CCO3)c1 1833505882 KAONNYGKWUFMPR-QHCPKHFHSA-N 467.482 0.749 30 20 JCED CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)C#Cc4ccccc4)CC3)CC2)CC1 1834519007 INEUDGCHSKRWRJ-UHFFFAOYSA-N 479.625 0.774 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CNCP(=O)(O)O)CC3)CC2)cc1 1834666632 YZOKGQMCGUTOAK-UHFFFAOYSA-N 463.475 0.468 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(Cl)c(Cl)c1)CCO2 1834959638 UHEDYEDNXZJNSA-FQEVSTJZSA-N 471.293 0.917 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1835102464 TYMFDHLUUARHRH-FQEVSTJZSA-N 453.417 0.173 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOC[C@@]3(C1)CN(C(=O)C1(C#N)CC1)CCO3)C2 1835346654 NPUNVPWNBNAUJZ-MZNJEOGPSA-N 485.541 0.382 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c(Cl)c1 1835637602 JYWZJXDBTBPOOV-OAQYLSRUSA-N 460.922 0.122 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1835754150 UIIUYWUDYYYMHF-KKSFZXQISA-N 465.547 0.091 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1835755776 MCNQOJLHUNSDKZ-LEWJYISDSA-N 481.590 0.626 30 20 JCED Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835804415 LHSUGHCYLZERCU-FQEVSTJZSA-N 450.565 0.386 30 20 JCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836377848 ASPVASVBRDELDU-RXVVDRJESA-N 485.628 0.651 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(cnn4C)c3OCC)CCO2)C1 1836378384 WPARJDQYXZRNKZ-BXKMTCNYSA-N 485.541 0.475 30 20 JCED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837070655 NQFNLGSGIIVWFV-UHFFFAOYSA-N 460.560 0.949 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccccc1=O 1837444021 ORKMAEKNHAKZKT-RDSWPZEHSA-N 459.547 0.337 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1Cl 1838600231 VPJVDFHKTABTNL-IVZQSRNASA-N 460.918 0.808 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4c(=O)oc5ccccc54)C3)C2)c1 1838731945 CVZKZDHLGFYIBR-XMMPIXPASA-N 479.493 0.955 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccccc4C(=O)OCCO)C3)C2)c1 1838738128 SDJRYMLHGZQRNS-DEOSSOPVSA-N 482.493 0.419 30 20 JCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CC[C@@H]4CCC(=O)N4C2)CCO3)cc1 1839080702 GZGWWHNCAVTQMV-DRLORSAXSA-N 480.565 0.958 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1839173647 DIZNFJHHVIFJJY-XMMPIXPASA-N 485.541 0.926 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1839175322 BYHQQHZKCAEZKS-HSZRJFAPSA-N 477.514 0.678 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185756 KFHXUJLNULJGJS-KSFYIVLOSA-N 496.561 0.024 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)ccc1F 1839187989 FSGXHZMJYVZOOA-NRFANRHFSA-N 465.503 0.514 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)CCOC1 1839190854 IBNXFZRVDKBIKC-DNQXCXABSA-N 492.573 0.820 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839550084 XVVUEAHAGSBDBJ-FUMRIQNTSA-N 453.499 0.263 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1840026383 ITHQRYFKRMAXSC-FPGHNAPASA-N 475.542 0.695 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nn1-c1ccccc1F 1840042088 ZLHVXEZZNHWISL-QHCPKHFHSA-N 486.456 0.178 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)c1ccc(O)cc1 1840220272 GIGOCYSUNVQZQF-ZYLNGJIFSA-N 469.538 0.482 30 20 JCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1840295055 SOZGPBZFBQDZDZ-QFIPXVFZSA-N 460.487 0.407 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)CCO2 1840312866 DRLXKVRNJDVWDP-IBGSXXPLSA-N 496.608 0.966 30 20 JCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1840844278 MRPDUCPKFFEGJF-XCJWHIRFSA-N 491.585 0.615 30 20 JCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840854664 IZNSDCOOEOBHON-RDPSFJRHSA-N 482.541 0.809 30 20 JCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840857096 IUDNULGXGFBHHM-WIOPSUGQSA-N 497.527 0.843 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1840908691 OLARTUNZMLKHDM-YDIMBITNSA-N 479.574 0.786 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCO3)C2)C1 1840908811 HYVZWIQAPNMCKU-BSRJHKFKSA-N 465.547 0.538 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H](O)C2)C1 1843844463 XXYLPPDEMBMWLN-IXDOHACOSA-N 480.562 0.766 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845859940 DUSKQBVWVTZOMV-GOSISDBHSA-N 457.487 0.535 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ncon1)C2 1846366052 NONGHTLLOIUUKY-AWEZNQCLSA-N 478.506 0.692 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)Cn2cnc4c2c(=O)n(C)c(=O)n4C)C3)c1 1846827372 ZHIMLKDCHFJARY-MRXNPFEDSA-N 489.536 0.578 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1847261991 SAUVNBKHLDRVCO-LJKFFZRWSA-N 462.547 0.419 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](Cc1cccc(F)c1)NC(C)=O 1847265158 PDFLUYXAMGSCAM-AXMACJOXSA-N 456.518 0.933 30 20 JCED CN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C#N)cc1 26049233 JPFWSPIMBSLGSF-UHFFFAOYSA-N 456.524 0.968 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCCO2 497551631 MBQJWMMGBNICKK-UHFFFAOYSA-N 470.532 0.392 30 20 JCED C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cccc(S(N)(=O)=O)c1 503903955 RPBZRVAAWIGUKD-OAHLLOKOSA-N 477.568 0.983 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2c(F)cccc2Cl)c1=O 514644793 DXXSSEXZTVGEIL-UHFFFAOYSA-N 476.961 0.840 30 20 JCED CN(CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 520981244 XGXMMNBQIPVWAH-UHFFFAOYSA-N 455.540 0.644 30 20 JCED COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 608911562 JPMNCXHAKOQJFV-UHFFFAOYSA-N 464.459 0.698 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCc1cccnc1 609038943 SCQYYWLKJQRBRT-UHFFFAOYSA-N 452.511 0.952 30 20 JCED Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1C 609416555 ULKSVNBLAIAGQZ-UHFFFAOYSA-N 474.608 0.201 30 20 JCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@@H](C)CN2CCCC2=O)C1=O 726403041 IRTGIUFASTVDHK-FOVIYGGPSA-N 481.600 0.281 30 20 JCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H](C)c1cccs1 726583466 ZYVAMSZCSVVWHW-KGLIPLIRSA-N 457.581 0.968 30 20 JCED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCNS(C)(=O)=O)cn1 726888638 OHUFRXPAIOCZMA-AWEZNQCLSA-N 455.562 0.630 30 20 JCED Cn1cc(/C=C2\CN(C3CCCCC3)C/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 727266992 MCFHICVCDOQSIS-OTYYAQKOSA-N 481.553 0.166 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)NCC#N 731185223 RRRXHMOIEYZVEH-UHFFFAOYSA-N 479.559 0.606 30 20 JCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCS(C)(=O)=O)c2=O)s1 731204216 BCAZSVOXETYLNY-UHFFFAOYSA-N 483.637 0.234 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)c(Cl)c1 839370309 WPIYQTFQTKJPFF-UHFFFAOYSA-N 461.906 0.691 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 886321290 ZVQSPSUZHXVFMP-KYOSRNDESA-N 459.908 0.407 30 20 JCED C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c1 916702990 BJCRJPLWSGYGPP-UHFFFAOYSA-N 456.524 0.863 30 20 JCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286535543 ISZYJHQGTOTUTG-MNOVXSKESA-N 458.404 0.666 30 20 JCED CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1313648363 YQXNDNVHUFXVJC-UHFFFAOYSA-N 494.600 0.666 30 20 JCED CCOC1CC(O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)C1 1314260840 HOKUESFFRMEKIB-BQIYRTECSA-N 482.607 0.671 30 20 JCED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)CC1 1360790945 LGPAUCVYMOSFBU-OAHLLOKOSA-N 474.609 0.176 30 20 JCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1505145564 OWPSNYJREPOZPT-UHFFFAOYSA-N 472.575 0.750 30 20 JCED CCCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514443122 JSFPYQHJLJLLMJ-VQTJNVASSA-N 494.666 0.519 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCc1ccccc1 1541116577 QVOXFTNMVSIQFJ-PKOBYXMFSA-N 489.602 0.566 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1698049176 LQLQTEQBLYRIIQ-XXBNENTESA-N 453.547 0.820 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC[C@@H](O)C2)C1 1698313037 RNJXEZPQHQNWLI-RCJHGTSTSA-N 456.544 0.604 30 20 JCED CC(=O)N1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1705969569 ZVHJMDKEYCOPBK-IBGZPJMESA-N 479.607 0.609 30 20 JCED C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)N1CCOCC1 1741854028 DXAXNZFYMPYYSY-ROUUACIJSA-N 481.623 0.462 30 20 JCED CCN1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1765507496 YSVWUBMPYPJVKV-OPYAIIAOSA-N 498.629 0.079 30 20 JCED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1771083994 KQXQEQLUUKPYDR-GOSISDBHSA-N 455.519 0.948 30 20 JCED Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn2[nH]cnc(=O)c12 1779066349 RRPSFUQLMCNZGY-DEOSSOPVSA-N 467.526 0.473 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1779175911 DBTFSWGLDQIHNY-AVRWGWEMSA-N 476.537 0.929 30 20 JCED COc1nccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1NC(=O)OC(C)(C)C 1779774626 MJYNMCKLRGHUEI-HSZRJFAPSA-N 488.497 0.969 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1781169674 ZPUUMUOSHJUTNU-WZONZLPQSA-N 464.563 0.649 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1781269600 BDXVTAOEDPJTEI-QHCPKHFHSA-N 483.562 0.867 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@](C)(O)CC(=O)O)C1 1782206921 YSXGNRMUJILEKK-URZJWIJPSA-N 454.520 0.626 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2)c1ccc(O)cc1 1782257360 NKOAKSCLINHTKG-BLJFENDVSA-N 484.597 0.996 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1782634285 ZRSRAKKSQFUBDN-ZXBGJVLQSA-N 462.547 0.773 30 20 JCED CC(C)[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783567453 PULYYALKYOJTJL-KSFYIVLOSA-N 451.520 0.844 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)C1 1783836525 WKHIHWWCPMWIPU-VGSWGCGISA-N 485.603 0.558 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)CC)CCO2)C1 1783884580 TVQGURHWZLAPGU-HJPURHCSSA-N 496.561 0.601 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C[C@@H]21 1784485485 MSOPWFWFNYLNMN-OKSLILNBSA-N 459.518 0.962 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C[C@@H]21 1784500502 SFQOPGQAJUXBSI-OLAQMGEPSA-N 473.570 0.737 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1)NC(=O)OC(C)(C)C 1784582190 QORITEWABMINJZ-ATIWLJMLSA-N 480.562 0.934 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN(C)C(C)=O)[C@H]2C1 1784938071 VCNMMQBWQBWUFI-HAGHYFMRSA-N 478.590 0.751 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCS(=O)(=O)CC4)[C@H]3C2)c1 1785037570 YRUNLZLNXRSNDV-QRFRQXIXSA-N 478.546 0.021 30 20 JCED CC(C)(C)OC(=O)NC1CCC(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1785326071 WXWUMGHQMCKORZ-OCJFHSIUSA-N 463.531 0.988 30 20 JCED COC(=O)[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1)NC(=O)OC(C)(C)C 1785369901 QTCVIGYWNZUODL-WAIKUNEKSA-N 478.546 0.967 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1785554161 CUFZFAOYMCMQPS-MHECFPHRSA-N 455.559 0.917 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(=O)(=O)N4CCCC4)[C@H]3C2)cc1 1787503780 ZVICKBREWIZLOZ-ACRUOGEOSA-N 474.583 0.506 30 20 JCED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCCS4(=O)=O)C[C@@H]32)ccc1F 1789907672 LMQFGGYBMGFTHH-UHMOLFJZSA-N 463.531 0.797 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)[C@H]2C1 1790666609 SXOQTSIPTSVRRH-AZNNGLMOSA-N 496.608 0.460 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792560183 JMRMSGKRPVNTGK-VLVHOKLOSA-N 486.569 0.966 30 20 JCED COc1cc(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)CC2)ncn1 1793132293 ZWDFODMHPOTUNY-HATOLVCRSA-N 499.616 0.573 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](S)C(C)C 1793387882 SSWFYTBRZOHPTP-UXDQUXDASA-N 487.619 0.987 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797104417 QXUDTVZNKVAKMV-JLVBRIDZSA-N 492.540 0.056 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C 1799222057 MYYKNPOYAYHFRO-KCYAQADSSA-N 486.635 0.656 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3nc(C)sc3n1)C2 1799302641 HZTWLHBTXBQVKU-CCWDJLKJSA-N 461.544 0.741 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1799321755 LLHNLABATHFWLB-ZMMAXQRCSA-N 462.551 0.727 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1802151948 NCCREBCMHHBTSF-UYTYNIKBSA-N 467.563 0.279 30 20 JCED CS(=O)(=O)c1cncc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1 1804890609 OWZRTLLCHSGQNI-QRWLVFNGSA-N 456.480 0.288 30 20 JCED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)c(C(F)(F)F)n1 1807830511 IBJHBKYIACVXSB-XOKHGSTOSA-N 461.448 0.973 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1808431762 IZDCIOGIJGQCJQ-FDDCHVKYSA-N 468.510 0.912 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1808450128 LGBYCXSFSMOHDY-VCOUNFBDSA-N 460.531 0.247 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810277975 BJSTYBKJJCVVKL-HQPCMUNBSA-N 478.619 0.887 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccc(O)cn3)C2)C1 1829332550 RPTPXCMUOMDWLG-VWLOTQADSA-N 492.488 0.941 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)COCCO)C2)C1 1829345711 LLCGKZDIVIBBQA-VGSWGCGISA-N 465.572 0.766 30 20 JCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1829358366 NAKKPWSDLLGOOX-XMMPIXPASA-N 486.525 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NNc3ccccc3)C2)C1 1829762809 SFIREIFTASNYNZ-NOZFXVHRSA-N 471.558 0.306 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1829766089 LHFRCRKWCUOMFS-GYLQWBMOSA-N 453.499 0.443 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1831387942 UKZJNTHMCDGYNV-FDDCHVKYSA-N 461.584 0.601 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1831492592 MTHMPTGHIZAKAK-LRDDRELGSA-N 451.471 0.848 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1832000261 JTXSVFWJRBWNKY-JPYJTQIMSA-N 465.547 0.891 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c(Cl)c1 1832024400 CJHZDUKZMFRBOD-QHCPKHFHSA-N 486.912 0.597 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832131463 LTFIZCACONBXPZ-TXXWUTRGSA-N 453.511 0.717 30 20 JCED NC(=O)c1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1833304495 LSSCSJDZQPPELD-DEOSSOPVSA-N 482.924 0.956 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N(C)C)cn1)CCO2 1833647850 GXVYTYOEAQWAQQ-HSZRJFAPSA-N 460.531 0.727 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CCSC(=N)N)CC2)CC1 1834705894 JYRVBRDWQWNDPY-ARJAWSKDSA-N 450.609 0.433 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834760802 KUBMPDRRIXJTDF-SFTDATJTSA-N 454.499 0.706 30 20 JCED O=C(NCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1ccco1 1835098468 LJUWTWCBSKOMGW-DEOSSOPVSA-N 451.479 0.518 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)cc(C(F)(F)F)c1 1835123952 KLZSNFLZLILMRI-LAUBAEHRSA-N 480.443 0.926 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835307623 FQBXAMNSVRSQPC-HOOSLVGPSA-N 494.589 0.581 30 20 JCED C[C@H](Nc1nccs1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674410 JIONMKKQFKUJLJ-KKSFZXQISA-N 464.592 0.682 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1835676789 ACTLQKWBUYGKSN-QHCPKHFHSA-N 454.531 0.686 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682392 FZIWZBAGGCRQGD-IERDGZPVSA-N 454.524 0.286 30 20 JCED O=C(/C=C\C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1)NC1CC1 1835731876 OCMSXABGPKADDN-BBAMKPMESA-N 458.607 0.865 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)CC2)CC1 1836726457 PGMXSFAKYXEUDU-VWLOTQADSA-N 489.617 0.469 30 20 JCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836968397 KSFLEFAHPPTJDN-DEOSSOPVSA-N 450.495 0.787 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837093916 GKQVTNHJJDAGSQ-XMMPIXPASA-N 456.543 0.598 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837375916 TYYHAQHIZUTTKG-HOYKHHGWSA-N 471.558 0.655 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1837394503 CEAKCGAFPGUYLT-JTSKRJEESA-N 451.495 0.872 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)[C@H](O)C=C)CCO2 1837404916 DBQURIACXUXNDP-CEYNDMKZSA-N 493.601 0.933 30 20 JCED CC(C)c1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)no1 1837524460 HZEDPOAPHIYQFE-NOIVPASESA-N 479.534 0.721 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1837524644 KVSHMMORVIEJKY-USEDDLAXSA-N 489.525 0.812 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837531856 YNABTEHGSSEWAY-NTQNSXHESA-N 486.529 0.257 30 20 JCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837640091 BVMBUDODMQVOGJ-YADARESESA-N 466.542 0.875 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Cn2cncn2)CCO3)c(O)n1 1837641486 PQIPGUWRJPCZMW-MHECFPHRSA-N 484.557 0.904 30 20 JCED Cn1c(=O)n(CC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)c2ccccc21 1838275344 RIPRZXIWKWLRPI-UHFFFAOYSA-N 468.510 0.427 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4ccnn4)C3)C2)c(C#N)c1 1839132732 QPBMBHGEVOGXMD-SBUREZEXSA-N 468.514 0.418 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1839174030 BIYYWFSGLHDHKO-JOCHJYFZSA-N 495.554 0.065 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1839223003 HVPYRSGTFXSWSR-JTSKRJEESA-N 496.586 0.497 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839224585 MMUUJEQTMHJVBY-UWJYYQICSA-N 451.524 0.400 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c1 1839422650 GDLXVMOQZLDGHC-NRFANRHFSA-N 492.554 0.628 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839717789 PUZFIBWTZDWVQG-QFIPXVFZSA-N 478.502 0.196 30 20 JCED CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840044865 CJINUYDIPKHXGS-XMMPIXPASA-N 471.510 0.829 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045162 UPEWKOZGLNEBKL-UZFJHSOTSA-N 477.514 0.000 30 20 JCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1840173897 WCYCYAJQWBNQCU-HSZRJFAPSA-N 490.561 0.675 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(OC)OC)C2)C1)NC(=O)OC(C)(C)C 1840795667 VOTGVIICWVBMMA-SBUREZEXSA-N 485.578 0.921 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840807219 DHBKOVDKLFGYFP-HSZRJFAPSA-N 462.547 0.706 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1840908522 MXHDSOZMHFCYIN-YVCITRLUSA-N 499.568 0.863 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1841748572 DFBFJQWXLODUSP-MRXNPFEDSA-N 475.546 0.930 30 20 JCED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)C2)ccc1Br 1843235337 OZGMNYMYTNOQMA-UHFFFAOYSA-N 483.286 0.578 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)CC2)o1 31529632 GFPBURQMELJXLC-UHFFFAOYSA-N 460.516 0.150 30 20 JCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(CCC#N)CCN2CCOCC2)cc1 490650089 KXEGNXQSAKEFBG-UHFFFAOYSA-N 451.549 0.340 30 20 JCED N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1Cl 515737477 MRMUNGNPWYXUGO-UHFFFAOYSA-N 458.905 0.599 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 523733443 LVEDKPZRYLDNLP-ZDUSSCGKSA-N 493.969 0.983 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CC1 728531976 VQWOCDGAENMLAQ-UHFFFAOYSA-N 456.543 0.450 30 20 JCED CN(C(=O)CN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1)C1CCCCC1 728545555 OVCJZTZGTCPYAQ-UHFFFAOYSA-N 461.588 0.660 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(CC(F)F)CC2)c1 747317801 ZUPJMFGCOLBARK-HAVVHWLPSA-N 457.503 0.847 30 20 JCED N#Cc1nc(N)n(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1C#N 914684959 SILKBJFWXIKDSJ-OMCISZLKSA-N 481.519 0.955 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1CCOC 916200911 VBTDEVDXQBUTIQ-UHFFFAOYSA-N 495.342 0.966 30 20 JCED COCCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccncc2)c1=O 917352454 UWCFCODWEXJDPP-UHFFFAOYSA-N 464.503 0.864 30 20 JCED N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(C(F)(F)F)c1 918539167 YVHFKXIDPYOEMG-VXGBXAGGSA-N 479.458 0.418 30 20 JCED N#Cc1cc2c(n(CC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)c1=O)CCC2 1190193401 PCMHSCHBMIXYTN-UHFFFAOYSA-N 456.524 0.546 30 20 JCED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)CC2)c1 1317741730 BBSBKYNYLRVYAF-UHFFFAOYSA-N 457.512 0.468 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCCCC1 1360708462 WUJLIJMRNMPIJL-WBVHZDCISA-N 451.597 0.760 30 20 JCED Cc1cc(F)cc(C#N)c1S(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1462759919 RDIYRPAZOOYCFH-SFHVURJKSA-N 459.565 0.906 30 20 JCED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1507785412 OAMMIIJKJLKLDR-CHWSQXEVSA-N 478.369 0.519 30 20 JCED CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1644996998 SSVYHXAEWNRHSV-YADHBBJMSA-N 456.566 0.773 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)CC1 1698311928 NCSLNBOIKAXSFZ-UHFFFAOYSA-N 457.560 0.957 30 20 JCED C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1706810616 YUUBHIRJYAEHRV-IRXDYDNUSA-N 452.567 0.727 30 20 JCED CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1710889268 VDTBGZJZTZZJQI-UHFFFAOYSA-N 455.548 0.902 30 20 JCED CN(C)S(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1711020521 WCSAQMMREYWTKL-HXUWFJFHSA-N 473.603 0.867 30 20 JCED CC(C)N(CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1723536295 KQGBGLXMXKATFD-MOPGFXCFSA-N 483.639 0.849 30 20 JCED Cc1noc(C)c1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1726421430 AIKQNAJSVHMQLA-PBHICJAKSA-N 462.580 0.912 30 20 JCED CCCN1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1728160131 XGLYXTQMSQACDY-OKZBNKHCSA-N 467.596 0.214 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@@](C)(O)C(C)C)CC2)c1C#N 1742669161 JTZIEUIEYNVZPA-VGOFRKELSA-N 455.567 0.876 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1C[C@H]1C 1751233739 YRMVHNYYPSWLLC-UGUYLWEFSA-N 459.580 0.921 30 20 JCED CCCNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1764551823 WLIHLUYVTSXEFT-KRWDZBQOSA-N 467.596 0.657 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cnc(O)nc1O 1778006491 FIBJCCAFYZODTN-RIQXCASCSA-N 463.491 0.544 30 20 JCED C[Si](C)(C)C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1779351700 HUJYXGIKXRTPAS-WZONZLPQSA-N 499.648 0.991 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(OC)cc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c3ccccc3)C[C@@H]21 1783535802 ULJRQAOGOARHOL-FKTPPHBFSA-N 468.554 0.643 30 20 JCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3cc(C(F)(F)F)ccn13)CCO2 1783566678 YFJBEQZEJMVIBE-IBGZPJMESA-N 450.373 0.885 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CCO2)C1 1783901085 ULXBHDNOOSXITJ-IIBYNOLFSA-N 483.612 0.469 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1784446569 XQNWYTPSAJDSMR-GWKIZSTFSA-N 492.598 0.417 30 20 JCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1784492480 SFDRCONNSGSPFC-IMPIEMTGSA-N 452.577 0.751 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785363983 UOGCALCWGBOPQK-OPAMFIHVSA-N 450.536 0.786 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787398396 YRKNYHFHTQCGRH-DKIMLUQUSA-N 450.561 0.502 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)[C@H]2C1 1790687581 NRUZROINERHQOE-UHXUCMFUSA-N 454.405 0.211 30 20 JCED COC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C[C@@H]21 1791475720 ROPYMOQONFTHMQ-CQDKDKBSSA-N 469.420 0.921 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792141108 FKAGGOHBLDRLPD-FJIDUMEYSA-N 464.563 0.936 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(c2cc(OC)ncn2)CC1 1793133179 ZUQSHNBUHAMYMA-UYZIEWPDSA-N 473.574 0.882 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)CC 1793254447 CPIXKEMWTKPWRM-YJDCLEDVSA-N 478.590 0.960 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793415564 RGMZAXDOVAXXJG-QRJUGERDSA-N 452.508 0.154 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(OC)c(OC)c(OC)c1 1793660865 BHTCPLPQRFDHFF-FCQWJQKHSA-N 460.527 0.883 30 20 JCED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c(NC(=O)OC(C)(C)C)cn1 1794224616 NWWJDSIKXNAANP-VTEUUUEMSA-N 488.497 0.728 30 20 JCED CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1794405039 PNSUYXGVUJICMJ-NFDRMNTRSA-N 474.539 0.542 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(S(C)(=O)=O)cn2)c(C#N)c1 1794427273 ADLMALLTODTLHV-FEJSZKPUSA-N 498.561 0.811 30 20 JCED C=CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CNCP(=O)(O)O)C3)c(O)n1 1794823650 DTWBHFJQONOYIQ-MUJYYYPQSA-N 452.448 0.882 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1795598090 DJWUCQIGNGEXFW-RMFSNUHRSA-N 470.574 0.403 30 20 JCED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O)NC(=O)OC(C)(C)C 1795639515 HLNBYXURSUDTBP-QRXRQMIZSA-N 481.594 0.028 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1797707720 WKPZMHJNJARRLK-YZIUBNRHSA-N 485.585 0.184 30 20 JCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c2c(nn1C)CCN(C(=O)OC(C)(C)C)C2 1800109050 SNIUIEKWUGMBQT-CCWDJLKJSA-N 457.531 0.550 30 20 JCED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c[nH]c(=O)cn2)C3)cc1C#N 1801850148 ZFSWATVMFRCZTM-UPHUGPLXSA-N 451.483 0.946 30 20 JCED C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1802113050 UGXJSGHOGVVNRY-RSPOEFSDSA-N 455.559 0.676 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1802140715 DJFKOACMQRDPGY-KVWRPFDZSA-N 475.550 0.293 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1803542230 CLGNAAGHTBVTEV-IIMJZQEZSA-N 471.539 0.591 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1810256811 VLZRXUAWMIDVKZ-HBFSDRIKSA-N 469.542 0.931 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810360379 NTRUIZXFNAYQHE-ZHOYKWTDSA-N 483.525 0.932 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827402370 VVKJLSSZDJIGPS-QGGRXXHISA-N 486.533 0.575 30 20 JCED C[C@@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1)n1cnnn1 1828922577 LWHPEQWQCXVFTN-MHECFPHRSA-N 492.540 0.990 30 20 JCED O=C1CN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C#CC3(O)CCCCC3)CC2)C(=O)N1 1828944457 DAIKLQGLMMWJPK-LJQANCHMSA-N 458.559 0.857 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=N/O[C@H]3CCCCO3)CC2)N1 1828970859 QHCFZLDKYDXRTE-LKCBVMOJSA-N 463.535 0.733 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)cc1 1829630814 BVSAVZUCBHMKQR-IQMJAMCRSA-N 466.538 0.782 30 20 JCED Cn1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)n1 1829631942 MYFJPKCDKSCLAU-DEOSSOPVSA-N 451.527 0.923 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1829771031 BSMJQNQSBPJYLJ-UZQCKINESA-N 498.496 0.400 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)c4ccccc4OC)C3)C2)C1 1831386930 BYVWETBUYQERBW-NIYFSFCBSA-N 499.564 0.262 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-n3c(O)nnc3O)cc2)CC1 1831670045 XPJNTUMPUXASGC-SFHVURJKSA-N 467.482 1.000 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832791948 SGHXYBGWZDYZQO-JOCHJYFZSA-N 464.519 0.701 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833148985 WEJVXABSXNRNSS-KRWDZBQOSA-N 451.568 0.951 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Br)ncc1Cl)CCO2 1833221742 KEMVCMSZJVURSX-SFHVURJKSA-N 486.706 0.656 30 20 JCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1833478039 ZJAILSUGPZTBKT-JXFKEZNVSA-N 468.595 0.992 30 20 JCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)CCO2 1833566623 MMWAVNFOYOUMGW-HSZRJFAPSA-N 469.473 0.414 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833599048 AHEUOTACJFYBDW-KKSFZXQISA-N 451.545 0.767 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833599712 RBHZQGAPISYHQU-IIBYNOLFSA-N 482.559 0.356 30 20 JCED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)CN4CC(=O)NC4=O)CC3)CC2)c1 1833710274 RBSZNRBPUGSROB-UHFFFAOYSA-N 480.569 0.614 30 20 JCED COc1cnc(C(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)cn1 1834314985 VAWVJDLLVSBWFR-UHFFFAOYSA-N 457.579 0.952 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)c(O)n1 1835646974 NORVMPWMKQGEGX-JOCHJYFZSA-N 477.587 0.993 30 20 JCED COc1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccn1 1835674830 GBPGZNADEZNZDS-XMMPIXPASA-N 473.574 0.761 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c(C(F)(F)F)n1 1836321815 KVNAXJCYADWOOJ-IAMHBRQHSA-N 468.432 0.813 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(C)oc1C(F)(F)F)CCO2 1836511488 YYBHWIHWKQGBNJ-BBIZLLLXSA-N 486.447 0.930 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1836620923 FBRDSAGEBKZMBM-YVHKJVDXSA-N 468.526 0.952 30 20 JCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1836861138 MXOHWKURAPXEDF-QGZVFWFLSA-N 488.610 0.928 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C3\C(=O)Nc4ccccc43)CCO2)C1 1837322470 BWWAVSCLXDWIEN-MXDSONSJSA-N 481.553 0.760 30 20 JCED CN(C)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524174 BEEVDULKODLVSR-COQMUBBDSA-N 475.546 0.747 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837529745 XSXXHLALKHYIGR-GFVLEISASA-N 472.502 0.328 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1ccccc1=O 1837687191 SJULANLWMJYQEN-FIERTBHGSA-N 459.547 0.337 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cnc(O)[nH]5)CCO4)C3)c2c1 1838071066 NCKSSQXXVWRRRC-NRFANRHFSA-N 451.443 0.247 30 20 JCED CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838829043 YNIPKSHTKMXGSK-QFIPXVFZSA-N 477.470 0.785 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1noc(-c3ccccc3)n1)CCO2 1839034007 KEBYBECZGJCOSF-HSZRJFAPSA-N 468.466 0.214 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839048699 NXGWHZAFZUJURM-FDDCHVKYSA-N 457.531 0.301 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1839130585 IWQUQIZBGFKBKI-CJFMBICVSA-N 492.617 0.701 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)c(Cl)c1 1839424654 VDAIOZLQRHIEQI-JOCHJYFZSA-N 471.901 0.539 30 20 JCED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)nn1C 1839489079 OQXWNPAFIZRYAU-QHCPKHFHSA-N 479.497 0.560 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C2)C1 1839807017 KMCKQHVJVVDEAR-QHCPKHFHSA-N 454.458 0.134 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1839844185 FJCNIZLNKZAYEQ-IPRDPGLQSA-N 481.590 0.883 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(Br)c3[N+](=O)[O-])C2)C1 1840043586 HXHANOFFGBRJIF-IBGZPJMESA-N 496.270 0.515 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1840055490 WFHWDZHUJUJWLZ-HXOBKFHXSA-N 481.546 0.313 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840820119 ZYEHOBMQYADMDI-CTCGMVJQSA-N 486.525 0.922 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)N1)C2 1846365738 SIPWUPSATVMDBC-CVEARBPZSA-N 493.561 0.274 30 20 JCED N#Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)ccc1Br 1848130637 OSECYIGWYWVGAH-ILXRZTDVSA-N 460.288 0.734 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)[nH]c(=O)c4ccccc43)CC2)cc1 26016780 BHMIBZNFUDQRTM-UHFFFAOYSA-N 453.480 0.095 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 603504500 JHGKKPGOCZYJGE-UHFFFAOYSA-N 482.515 0.635 30 20 JCED Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cc(C)c1OC(F)F 604270258 JYNOBRRKSBDJLC-UHFFFAOYSA-N 490.532 0.998 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608829044 YORMHLFIAYGYIR-UHFFFAOYSA-N 498.561 0.550 30 20 JCED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 608912354 JKTVQXAZVCATIS-UHFFFAOYSA-N 476.624 0.351 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCS(C)(=O)=O 729671485 PFGDSDOXIFYOMV-UHFFFAOYSA-N 499.561 0.278 30 20 JCED C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(=O)NCc1ccco1 744908123 LOPXJXJPYDOYKA-JYMIEJHZSA-N 475.527 0.852 30 20 JCED COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCNc1ncccc1C#N 745298497 KXKVYOXJIBKALG-UHFFFAOYSA-N 452.471 0.601 30 20 JCED C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 752320900 KZMNAICVYRSHBB-NRFANRHFSA-N 455.496 0.811 30 20 JCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 893329421 TUACQCIPDVHXTJ-LBPRGKRZSA-N 459.908 0.918 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)CC2)o1 915377931 HTULLJVBPDPYFW-XMMPIXPASA-N 492.492 0.440 30 20 JCED N#Cc1cccc(S(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 916808797 ORIJIGCTKKFDEX-UHFFFAOYSA-N 453.473 0.837 30 20 JCED C[C@H]1Cc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)ccc2N1S(C)(=O)=O 917937055 AMIOFSHDHZKSDC-AWEZNQCLSA-N 491.547 0.973 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)C2CC2)c1 918278827 GCURBHZDFFHTOS-BWAHOGKJSA-N 463.560 0.861 30 20 JCED COCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920106944 KFAKPMOZSXEYHB-PBHICJAKSA-N 452.489 0.857 30 20 JCED CC(C)N(CCCNC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)S(C)(=O)=O 1115913757 WKTUEIWEWRUVNA-QGZVFWFLSA-N 464.544 0.631 30 20 JCED CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1315069136 RSNVLRWXUGGXKR-MRXNPFEDSA-N 452.562 0.237 30 20 JCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1503255092 UBHGFKSQCYUTFL-FQEVSTJZSA-N 485.614 0.994 30 20 JCED COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1504131788 MNPLXCQNTSNGDE-DNVCBOLYSA-N 476.559 0.973 30 20 JCED N#Cc1c(F)cccc1S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1561438325 NIBPTYRFERMTQG-UHFFFAOYSA-N 453.473 0.820 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1617709416 OHCRMDBRVULYKC-UHFFFAOYSA-N 469.575 0.768 30 20 JCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1629454246 VSXPBPMBCPZUEV-GOEBONIOSA-N 452.533 0.977 30 20 JCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690220425 YEBAOXGDMVEJIH-YPMHNXCESA-N 476.401 0.837 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1nccs1 1706887015 GYJDCKJFUGPACW-HIFRSBDPSA-N 450.594 0.764 30 20 JCED CN1CCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C 1711281518 XVAKWRNZIJBYRW-KRWDZBQOSA-N 453.551 0.680 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCC(=O)N(C)C)CC2)c1C#N 1725863495 QCJHHOOWFWPKNW-UHFFFAOYSA-N 468.566 0.233 30 20 JCED Cc1cc2nnc(C(=O)N3CC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)c(C)n2n1 1777782191 IUOAFYTZWUPQJI-JBMWNJKUSA-N 451.487 0.897 30 20 JCED Cn1c(=O)n(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c2ccccc21 1778164718 OBZCOKWTIPCKKO-XMMPIXPASA-N 468.558 0.452 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139075 KUUCKIBARLURIC-VMYBJKTBSA-N 450.492 0.372 30 20 JCED CC#CC[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1)c1ccccc1 1779184640 UGVSPEKHCJWYCX-KOSHJBKYSA-N 475.509 0.453 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1779879204 XRDKWZOSONOWIU-JOCHJYFZSA-N 450.455 0.213 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1 1780332946 KGOHIWAMJQIDIH-JOCHJYFZSA-N 456.524 0.976 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1781166462 PWOUARYCQJBALP-LYXWCMDISA-N 478.590 0.236 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](CC)NC(N)=O)CCO2)C1 1781168199 DPROVSHKYQZFAU-GGUMNFRJSA-N 493.605 0.960 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1781290916 KFEGAUPMBZKRCG-HKARXFIJSA-N 464.563 0.954 30 20 JCED CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1)C(=O)C(=O)O 1782036231 PYPKQQSKKYHMNL-FQEVSTJZSA-N 482.415 0.564 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729535 DXZSPOSNPBTETA-BUUPASLGSA-N 471.558 0.742 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)O)C2)C1 1783523143 WGXMUULHODAQFM-MCFFVMPBSA-N 484.550 0.003 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2)c1ccc(O)cc1 1784022639 RSNXOLJFNVRGJQ-QFZRFWILSA-N 471.554 0.370 30 20 JCED CC(C)(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)NC(=O)OC(C)(C)C 1784125693 YJVVOPOZOWGOPU-JYJNAYRXSA-N 451.520 0.748 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1785573737 ZITRURVDICKQCO-JPYJTQIMSA-N 458.515 0.680 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1786857989 KOEGUBUJUDVZMK-YEWFCNIMSA-N 486.573 0.254 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn4nc(N5CCOCC5)ccc34)[C@H]2C1 1787176145 NBUZAULCFJQPMJ-JKBKZWBZSA-N 498.584 0.750 30 20 JCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)ncn4)C[C@@H]32)c(C#N)c1 1789840002 GKNNRUZVCUTRAC-QSFXBCCZSA-N 451.483 0.898 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789927838 BCFKXUIRYANZBA-BCYZHJNNSA-N 469.579 0.833 30 20 JCED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4C(=O)C=CC4=O)C[C@@H]32)cc1 1790141642 ASLPRBNREQDJLZ-UFYCRDLUSA-N 450.495 0.661 30 20 JCED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C[C@H]2C[C@H]21 1791079313 HXSSNIXZWUYCIE-RFSXOUPVSA-N 461.515 0.452 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)[C@H](O)C1 1792450878 IEQMMQGAIXCCOL-FSNPWBFUSA-N 450.536 0.498 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1793604137 AWLZHGIBKYQWAG-NUBYAOTGSA-N 490.557 0.924 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794426814 AOQMIXXXTIJNSS-LTCOOKNTSA-N 451.545 0.261 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cncnc1 1795809242 CXJJNEYFKUWPBS-RCLSDMTESA-N 471.558 0.915 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NC(=O)NCC)N(C(=O)OC(C)(C)C)C1 1797697729 QRPBVXRAVDTTOI-OYSTVDSJSA-N 493.605 0.849 30 20 JCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1797741933 HKKYLSMSGXMUEJ-IUCMUBOISA-N 455.515 0.692 30 20 JCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(N4CCN(C)CC4)CC2)C3)c1 1798579004 UCZCEPUQVZXDES-VTYHHJSWSA-N 467.570 0.550 30 20 JCED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(C#N)c2Cl)c(=O)nc1O 1798593261 HDVXIRUXQCQXQN-CCWDJLKJSA-N 471.901 0.686 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCN(C)CC1 1799184322 MTFLOXUSWINAGB-WHZJULEDSA-N 491.633 0.129 30 20 JCED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O)C(C)C 1801990716 LDGCZTHHGAUPDA-WFNPHZEWSA-N 476.530 0.084 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1802124724 HYEGLVWLNPLXTE-DMUMMCEESA-N 480.631 0.541 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1802232934 AHKJAMQAJQGYAG-FCGDIQPGSA-N 493.605 0.494 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@@H]1c1cccnc1 1802482828 PKSFFEORCZVDIK-WUDFEMJASA-N 464.482 0.748 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(N3CCOCC3)cn2)[C@H]1c1cccnc1 1805068198 IINVFFCJNDQSDA-FDDCHVKYSA-N 463.494 0.721 30 20 JCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)cc1 1807019763 XRAKOVMYZXXZFR-KNQAVFIVSA-N 471.454 0.927 30 20 JCED O=C(C#Cc1ccccc1)N1CCCC2(CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)C1 1809294656 VEASPXBLFHVPSK-UHFFFAOYSA-N 457.596 1.000 30 20 JCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810331345 ZKGZDUSPLQPEDX-SESVDKBCSA-N 472.542 0.851 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1810356005 GXKPOLFFYOQJDL-RWIKEVAYSA-N 495.540 0.870 30 20 JCED O=C(/C=C/C(=O)c1cccs1)Nc1nc2c(s1)C[C@@H](NC(=O)CN(CCO)CCO)CC2 1817290454 BBMQSDCBKOTWFW-GJBLVYBDSA-N 478.596 0.842 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1819896529 QQHMRQOCLZBPRQ-ICDJURSOSA-N 487.542 0.838 30 20 JCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1823079458 MVQTUORJNZLRAU-MNOVXSKESA-N 458.504 0.901 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829123183 DSIKCZCUTQSRNC-HOYKHHGWSA-N 475.542 0.322 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCN2C(=O)OCc1ccccc1 1829373043 PTZZGKWHRLXUTB-DEOSSOPVSA-N 479.493 0.277 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(N5CCOCC5)n4)C3)C2)C1 1829668438 QDNRABWZCLJDPS-XMMPIXPASA-N 456.543 0.954 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3NC(C)=O)C2)C1 1829773887 YTUYWJUJMWYDMQ-HMLKYZKVSA-N 470.526 0.573 30 20 JCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1830058016 PODPZLLKFXFICQ-BWKNWUBXSA-N 470.570 0.894 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOc1ccc(F)cc1)CCO2 1830250259 FWPAWOVLWNZNQI-WEHRJKGCSA-N 475.517 0.909 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)C1 1830720174 URKHOFAQOXDJFK-OSWQYVSFSA-N 485.537 0.983 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)[C@@H](O)C1 1831207568 RRNGKLGENCKCND-RLSLOFABSA-N 491.585 0.474 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=C[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 1831388546 ZIUMRZNBMMSLKL-MVOHMCPASA-N 491.585 0.951 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1831392277 CYCUYWLKFFTPLB-IMWIBFENSA-N 495.573 0.117 30 20 JCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1831404590 QPPSAMFHPTUFTP-REWPJTCUSA-N 453.580 0.976 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1831418773 GQHSHBTXLJWASN-BCHFMIIMSA-N 499.564 0.649 30 20 JCED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1)c1ccccc1 1832691899 QJULDMYKHZRVOY-ZYLNGJIFSA-N 482.537 0.238 30 20 JCED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834764812 CXRKODIDXRNMFR-IBGZPJMESA-N 470.935 0.695 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835299005 WFHNAIUBUAMCDE-ROTPYAIFSA-N 461.515 0.705 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1835355046 QBQKNVYNVJNUPN-DEOSSOPVSA-N 468.510 0.823 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCSC(=N)N)CCO4)C3)c2c1 1835652685 RSYBRHJITPSLGE-NRFANRHFSA-N 471.543 0.521 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835753333 IKTGCTFYLDAXIW-JOCHJYFZSA-N 476.618 0.408 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835761480 RATLVTMAULJDGA-QHCPKHFHSA-N 452.596 0.191 30 20 JCED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)C(=O)O 1835761831 AVXVGBVPZMUYOF-IIBYNOLFSA-N 464.906 0.344 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4nnc(C)o4)CCO3)C2)c(O)n1 1836021829 LYXUTMHDFDOZSV-HSZRJFAPSA-N 471.514 0.910 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(Br)c(CC)nn3C)CCO2)C1 1836281647 JFSZIRARJVOCIM-YCRPNKLZSA-N 497.390 0.853 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837048551 GTGQQIXGQCRZPQ-NRFANRHFSA-N 462.528 0.975 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)c1 1837319837 JBVZEPPMRNFIDA-LJQANCHMSA-N 473.379 0.873 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1837399672 ZGHCAEXABZYWPB-AOMKIAJQSA-N 476.555 0.399 30 20 JCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1837430121 KBNMLFORPQGZNU-FYYLOGMGSA-N 481.666 0.145 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1837443367 HRQJXVZIAJFOEY-HBAGGBEISA-N 454.531 0.876 30 20 JCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837550272 WEACTJBXOUJHAB-IBGZPJMESA-N 456.446 0.381 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(Cc3ccccc3)c1)CCO2 1838015584 KKFFRWRCGKQXNK-LNCAXPMHSA-N 493.564 0.860 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c(C#N)c1 1839131156 PJXFKCJOXKSPTH-KOSHJBKYSA-N 470.526 0.092 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839227754 XORIOCUOMYCBLJ-JETGKSLASA-N 454.524 0.773 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)ccc1Br 1839400944 JRBKAYGHIMKAOH-HXUWFJFHSA-N 489.330 0.682 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc5c(c4)CCNCC5)CCO3)C2)c1 1839693483 IOVRJQUARIPDSK-DEOSSOPVSA-N 464.526 0.353 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2)c1ccc(O)cc1 1839881290 RXIVLNPSHNRTIT-HMHJJOSWSA-N 471.554 0.870 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)C2)C1 1840164341 GQNNQNYMHIIZGS-WCUSIGKQSA-N 499.630 0.786 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840327239 YXLQUPPMJVQCCE-MHECFPHRSA-N 489.573 0.715 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840597515 QGLLVVFPYBSJFL-UUOWRZLLSA-N 479.574 0.665 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840818663 OPPCCYRCCNQJDK-HSZRJFAPSA-N 452.467 0.341 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840900898 UXMLSHGORDMPFL-UQBPGWFLSA-N 485.585 0.543 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1847262902 NVHDLMSTCIODGR-BJDURDIASA-N 450.536 0.322 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(-c2ccc3c(c2)OCCO3)c1=O 502047709 WQJYLJGLUCRHFA-QGZVFWFLSA-N 493.545 0.202 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(-n4cnnn4)c3)CC2)cc1 518073578 VYKUQBORGBVPDL-UHFFFAOYSA-N 466.483 0.006 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(=O)N(C)C 604270368 NLQKCRILSJYYCZ-UHFFFAOYSA-N 468.988 0.369 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C[C@@H]1CCCO1 604434379 NBWPYAIUJKGBTE-ZDUSSCGKSA-N 472.479 0.017 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 608912545 QWZBWTKKGRNHCE-UHFFFAOYSA-N 492.623 0.275 30 20 JCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(CC#N)CC3)CC2)o1 609328323 JEXROZTVSQWQJQ-UHFFFAOYSA-N 452.533 0.961 30 20 JCED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727233150 HJXCNLFYBQGHGI-NSHDSACASA-N 453.297 0.533 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)NCCc3cccs3)CC2)c1=O 745167536 GETHXJZKMZZMBI-UHFFFAOYSA-N 459.572 0.634 30 20 JCED Cc1csc(=O)n1CCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 749735839 LORYJGYKGLLMSF-UHFFFAOYSA-N 478.552 0.556 30 20 JCED CS(=O)(=O)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 800754756 PTIXXOPPOZOYCK-UHFFFAOYSA-N 451.482 0.422 30 20 JCED CCOC(=O)c1ccc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 914609188 CTEUGHYBNXPLJV-UHFFFAOYSA-N 457.512 0.646 30 20 JCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CC(=O)N2CCc3ccccc32)CC1 917212394 GXRBHMJMQHFUHF-UHFFFAOYSA-N 481.578 0.849 30 20 JCED CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)N1CCN(C)CC1 918253247 QOADNBZFGZGXHK-YXQVCNHYSA-N 492.646 0.826 30 20 JCED CS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 918985870 BRTAQWOCVVIMPH-UHFFFAOYSA-N 479.536 0.755 30 20 JCED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 919319259 YQZIOKYGUTWEOW-AWEZNQCLSA-N 491.547 0.641 30 20 JCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1297957913 VDVROCZEBMMFFS-OAQYLSRUSA-N 494.600 0.998 30 20 JCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1305785994 STYJVXDWMQDERF-KRWDZBQOSA-N 466.612 0.264 30 20 JCED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1317982993 DOOPPVNOPBBBLX-KRWDZBQOSA-N 471.605 0.007 30 20 JCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCCC1=O 1508426185 SWFUIUNKPZPCAE-ROUUACIJSA-N 481.623 1.000 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCOCC2)nc1 1510192323 QBAUGFGSNMXNKM-MGPUTAFESA-N 478.554 0.610 30 20 JCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC(=O)N1C 1512497947 JQENXQIZFKVOFF-DOTOQJQBSA-N 458.544 0.830 30 20 JCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN1CCOCC1)[C@@H]1CCSC1 1569863826 YWMBXXRWPHDAEL-FUHWJXTLSA-N 452.602 0.891 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1611686856 NMUQADJDNSJYFG-XEZPLFJOSA-N 483.492 0.593 30 20 JCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1618836312 JSEKAJAWCLXLKN-UHFFFAOYSA-N 468.562 0.912 30 20 JCED CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1709938728 SSUUUVDNEFKABS-GOSISDBHSA-N 478.600 0.866 30 20 JCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1712454363 NFYYJIBIMNFJCX-LAUBAEHRSA-N 484.623 0.919 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCC1 1723780095 PLBVUTXQYZPAJT-IAGOWNOFSA-N 467.596 0.752 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1747428049 VQLWCBYWAOUYQC-GOSISDBHSA-N 472.575 0.917 30 20 JCED CC[S@@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747467685 KVMSTMPRDVYGAU-JGCGQSQUSA-N 456.576 0.762 30 20 JCED CC(=O)N1CCN(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CC1 1749885175 QJTHWPVEGPXGBO-MRXNPFEDSA-N 477.367 0.929 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1765634035 RNWBHBWLOBSPPT-UHFFFAOYSA-N 459.576 0.510 30 20 JCED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H](C)O1 1769490135 VYPGQMQDLAVKDA-VQIMIIECSA-N 475.571 0.997 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C/N=C/c3ccco3)C2)CC1 1779442991 YJLKIQPJRKTZNB-APRFEEGUSA-N 473.574 0.377 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780331030 LDJQQRWIMRVSIJ-WZONZLPQSA-N 473.530 0.966 30 20 JCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)CCOC1 1781307977 GVWJGVSXRHYRFE-BJKOFHAPSA-N 493.605 0.782 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781859947 WNSBXSUBHUBVEV-MBSDFSHPSA-N 465.547 0.358 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CNC4=O)[C@H]3C2)c1 1784956304 AUVLEMLZMCSSIC-QZHFEQFPSA-N 453.499 0.459 30 20 JCED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785244946 BHOOVUKZKOZHTA-JOCHJYFZSA-N 476.555 0.455 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC)NC(N)=O)CCO2)C1 1785574989 WSCGGNUUSUPLNZ-WCJKSRRJSA-N 465.551 0.180 30 20 JCED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786701745 PKPUYXCBUMNYSQ-UNSMJCAQSA-N 484.619 0.932 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1788660462 QBHVUFXOSZVDQT-LKRFGZDHSA-N 470.530 0.781 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1788660576 YRANAZMRRNZBHS-AJDMMMGESA-N 476.574 0.896 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]2C1 1788771585 DLIMZCYYXWIRFK-KNJMJIDISA-N 496.605 0.587 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C[C@@H]21 1792259128 YPFKDGRDRMKXTP-MUGJNUQGSA-N 473.574 0.859 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792583209 LUJYUBBDGHTSJZ-IPLXSBJHSA-N 478.590 0.962 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1793341489 WGPNCJMNXMKFKS-REAORAKASA-N 493.601 0.622 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)c1 1793620369 SWXFEDSSXIBTQP-RTNRFSENSA-N 450.495 0.832 30 20 JCED O=C(C#CC1(O)CCCCC1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793729250 GRTHBGFWMDETJC-AGGWBTHJSA-N 464.412 0.630 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794112080 HZQZZXXGVZWEPP-KCTHJMFYSA-N 461.519 0.383 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O 1794362140 MPTNRPSBDUGMPD-RCJHGTSTSA-N 474.514 0.205 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccccc2)cn1 1795275781 RNMZBQVQMZFZKL-JHDGKUDLSA-N 467.547 0.881 30 20 JCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc2nc(CO)[nH]c2c1 1796870335 CVDOFEKTCKVTAH-YTJNBFFPSA-N 471.514 0.787 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)C1 1797743601 FNYHARGHHPXUOQ-DTZXSQNASA-N 493.605 0.684 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)[C@@H](O)C1 1797942311 ADNIAQLZTYFHGT-TURABVPUSA-N 463.531 0.721 30 20 JCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CN(Cc4ccccc4)CCO2)C3)c1 1798692556 SXKPWBQUCALSMR-IRMYBRCSSA-N 463.538 0.991 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O 1800520194 PIFFAVSQQIGPSV-XYKMGWITSA-N 450.536 0.311 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1800807919 DNCPMBOLMXJUQK-ZBLLQYKHSA-N 482.578 0.747 30 20 JCED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COCCO)C3)N(C(=O)OC(C)(C)C)C1 1801102406 JJBUYWMOWMBYSM-ZMMAXQRCSA-N 453.536 0.151 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801977685 SPVJGZSYTJRHEK-XMTFNYHQSA-N 462.547 0.906 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1802480101 AKVNHEZUIIMGCV-KTORJYKWSA-N 452.519 0.279 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)C2 1804372395 QEPDYQSVFOERBO-FCGDIQPGSA-N 496.630 0.967 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1819451501 WSBDUMCRJDXVRC-YBAGWXRQSA-N 461.479 0.529 30 20 JCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cn3c(nc2=O)SCC3)n[nH]1 1820693039 XKQZBCJHKRSDCH-CQSZACIVSA-N 456.484 0.395 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)CN3C(=O)CNC3=O)CC4)c2c1 1823888502 JAPNCXHECOWWNS-NSHDSACASA-N 478.494 0.669 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824900320 IOBGGKLTBFJXPP-NXUSNIPQSA-N 463.535 0.687 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671557 JCFZQRSDIIXVSG-BZPMIXESSA-N 478.527 0.513 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1828927279 QDZNNUTURXOVJT-DVECYGJZSA-N 467.526 0.878 30 20 JCED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCN2C(=O)OCc1ccccc1 1829133230 IZINKRUFNMKQDQ-QPPBQGQZSA-N 485.541 0.003 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)NC3)CCO2)C1 1829960888 YOIWUDKBZUBZME-GGUMNFRJSA-N 494.589 0.438 30 20 JCED Cc1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)no1 1830458094 KAOZODKYVCZNIX-QHCPKHFHSA-N 453.499 0.881 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831264345 STROJAZTCAJXCE-ZHRRBRCNSA-N 468.551 0.048 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CSC1CCCC1)CCO2 1831353595 DFOFVJPYNHJNKJ-RHVSLNNASA-N 451.589 0.977 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCCN4C(=O)c5ccccc5C4=O)CCO3)C2)CC1 1832540425 BSTAOTIODPMEEX-RUZDIDTESA-N 480.521 0.823 30 20 JCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)CCO2 1832540804 IKCPSVXTWPZREF-SANMLTNESA-N 479.533 0.933 30 20 JCED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c1 1833236168 FDOLKHAISYYCAS-JOCHJYFZSA-N 468.602 0.655 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1833724231 NBLHMDFHMBAHFS-AOMKIAJQSA-N 461.519 0.396 30 20 JCED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n[nH]1 1833824524 LJNGMMYGJNMFJE-QHCPKHFHSA-N 458.515 0.381 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1835102626 UQZPIDILNLRWPN-FQEVSTJZSA-N 463.416 0.945 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)cc1C#N 1835439412 FXUHJYSZTUDPFJ-HSZRJFAPSA-N 458.515 0.504 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1835643398 AWBRAGIIBOHFPJ-HXOBKFHXSA-N 479.578 0.379 30 20 JCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4nccnc4C(N)=O)CC3)CC2)c1 1836169503 UOYSWRBBGIPQGG-UHFFFAOYSA-N 450.503 0.274 30 20 JCED Cn1ncnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836320546 GBRMSPDQDZKHMU-LJQANCHMSA-N 479.419 0.484 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836630993 IQBRQONWGXYTFO-LJQANCHMSA-N 481.590 0.993 30 20 JCED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837241685 PMBVFHVHVKHGMI-UZIOCCCESA-N 459.565 0.131 30 20 JCED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cnc2c1 1837444077 XXQXTSXHLUSSJG-DKEDDZTCSA-N 496.568 0.545 30 20 JCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)(C1)C2 1837493530 JFGYHXHDBRWIPY-RVMZIBIISA-N 474.554 0.485 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1837493733 UZZVBSHAZDWITQ-DEOSSOPVSA-N 461.559 0.154 30 20 JCED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1)c1ccccc1 1837611497 IWODXIOKTYXNAK-CPJSRVTESA-N 482.537 0.192 30 20 JCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1837646710 AUAZVYSMZITVNJ-HXOBKFHXSA-N 470.505 0.624 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)C=C)CCO2)C1 1837692889 ACTFIALSWZLWER-LLJLJFOGSA-N 494.589 0.603 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838418720 LPFZBBIGTKJNMF-NYNQOQISSA-N 485.522 0.538 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn(C)c4C)C3)C2)c1 1838580628 OHHULMYYTZWRNG-QHCPKHFHSA-N 453.499 0.993 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc(C)c(C)[nH]c4=O)C3)C2)c1 1838580643 OZBRUNYUEPKDJC-DEOSSOPVSA-N 481.509 0.651 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)N1CSCSC1 1838738178 VFLCTDUDGSTISZ-QRWLVFNGSA-N 465.601 0.999 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(N5C(=O)C=CC5=O)cc4)C3)C2)c1 1838742743 NDKIGYSTWYQCTP-RUZDIDTESA-N 489.488 0.700 30 20 JCED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)c1ccc(F)cc1 1839039363 DLWLLKPAGYRMSV-QPPBQGQZSA-N 483.500 0.973 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CNC(C)=O)C3)C2)c(C#N)c1 1839131757 XLTRYPDAEGHSAP-RUZDIDTESA-N 486.569 0.728 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCSC)C3)C2)c(C#N)c1 1839132916 WAYNFRWHCKRULW-NZQKXSOJSA-N 477.583 0.680 30 20 JCED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839133136 ZYCWMRPQTHZQTO-VWLOTQADSA-N 497.552 0.722 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)ccc1F 1839186533 ZRVCAXPYFSZJHR-ISKFKSNPSA-N 467.501 0.791 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)ccc1F 1839187381 ZDFSSEWDUKTVCA-DEOSSOPVSA-N 483.500 0.989 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)c1 1839451424 RJXVBQZCJNGYNQ-VWLOTQADSA-N 477.521 0.762 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)c1 1839452021 CMMVQGPAEIYDNN-DEOSSOPVSA-N 476.493 0.999 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCc5ncc[nH]5)C4)C3)c2c1 1839489387 SLTRMWNKPPLKFB-HSZRJFAPSA-N 463.498 0.860 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839633620 MZBQEUBHQMUYCK-CXOFEFFFSA-N 481.553 0.067 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C2)C1 1839810595 HZZUHLNKBMHVJE-MZNJEOGPSA-N 495.573 0.701 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)[C@H]2OCC[C@H]21 1840076022 OFXKXDGYIBPPHS-RTCJPFEHSA-N 492.573 0.771 30 20 JCED C[C@@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840111106 WTBLFVDVGURPBG-PZPWOCDFSA-N 475.608 0.425 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1840159992 TVGGXXPCTOZCBX-OSAWLIQMSA-N 473.592 0.131 30 20 JCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1)c1ccc(O)cc1 1840219360 KJLFTWKUAPSHQI-JVFUWBCBSA-N 471.554 0.857 30 20 JCED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840480343 LORFALSZWLKDCC-DEOSSOPVSA-N 450.495 0.779 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1840819613 WEPTVOAHLXAARD-DEOSSOPVSA-N 476.493 0.979 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840840628 GOBMFAKTPPBEAP-JTSKRJEESA-N 453.536 0.132 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@@H](NC)C(=O)O)C2 1847080855 ISMYUIXABOFTEF-DOQJBMMISA-N 450.536 0.722 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C 1847806238 SWZNTAWPOCADLM-OWSLCNJRSA-N 479.578 0.568 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 513985666 REOBLWQDADHCFG-CABCVRRESA-N 472.589 0.554 30 20 JCED CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 516013592 HTGQWLIWIOWZPV-UHFFFAOYSA-N 499.549 0.545 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1 516442756 BPXUOQHPNWESFQ-UHFFFAOYSA-N 467.507 0.915 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(Br)c2)c1=O 523476806 NXBFKDJKXQJZJS-UHFFFAOYSA-N 480.384 0.974 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC(F)(F)F)c2)c1=O 609074727 LAMQIUZXDZIJND-UHFFFAOYSA-N 480.468 0.678 30 20 JCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccn3)c2=O)c1 726579202 AEMAQBJURXGJPA-UHFFFAOYSA-N 485.569 0.227 30 20 JCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc1 727010807 MUKZQAQGNXQFSM-UHFFFAOYSA-N 483.506 0.941 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)c1 729376823 PVWZSWHMZTXOCG-UHFFFAOYSA-N 455.540 0.625 30 20 JCED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)cn3)CC2)cc1 730895117 XMJHMPVBIVBKOW-UHFFFAOYSA-N 456.480 0.846 30 20 JCED Cn1cc(/C=C2/CN(c3ccccc3)C/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 747317576 YLUYXDWHOLXYER-APGQMXJTSA-N 475.505 0.038 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)c1 749373280 HRBBCTNIKYSFNC-UHFFFAOYSA-N 454.552 0.672 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 917355673 LPYZVLYWIXQJRQ-UHFFFAOYSA-N 456.568 0.522 30 20 JCED COCCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918407385 ZHALTFOTMKPNIG-NCELDCMTSA-N 493.586 0.439 30 20 JCED CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918424414 UOMCVBVBVNXDIU-CYMZXICGSA-N 454.549 0.588 30 20 JCED Cn1c(=O)c2nc(Br)n(CCCC(=O)ON=C(N)c3cccs3)c2n(C)c1=O 921014087 RYVNITHTZZFGEQ-UHFFFAOYSA-N 469.321 0.902 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)C1CCCCC1 1288869901 LNXFBJWSAYOZGT-HOCLYGCPSA-N 453.569 0.408 30 20 JCED CN(C)CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1314669246 YQAKDWHFIWZGFK-RTBURBONSA-N 474.587 0.898 30 20 JCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1471718374 VIPQQWHBQXBWNE-UHFFFAOYSA-N 456.528 0.282 30 20 JCED Cc1ccccc1Cc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNS(C)(=O)=O 1492586259 BCZAONVQEYFEKN-UHFFFAOYSA-N 497.629 0.967 30 20 JCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1=O 1517418187 MFPDFGXOYHDRLI-QGZVFWFLSA-N 458.544 0.832 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1541703901 CENYQPDOOIZBHE-QHCPKHFHSA-N 453.547 0.615 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1695933405 PYXQHTPJFGJKHZ-UHFFFAOYSA-N 480.573 0.324 30 20 JCED CS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1698319893 RSJQHIFQQFAKDW-UHFFFAOYSA-N 487.586 0.869 30 20 JCED CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1706690030 XNWRPNBBNCHEIK-UGKGYDQZSA-N 475.571 0.997 30 20 JCED CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCOC1 1729953795 MNPQGQTUDORIFY-OAQYLSRUSA-N 476.559 0.616 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1750210132 NYNPUQVILKGUQS-UHFFFAOYSA-N 459.576 0.906 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1769820221 VLUYGCQVOPQYBZ-DENIHFKCSA-N 475.571 0.856 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780802807 JRIKSRDMRFZDOH-WOCWXWTJSA-N 460.597 0.629 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781104976 IRJWSTCZHAJJNE-UMEGOILYSA-N 491.633 0.369 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1781168082 BXQQRPZBCYYGBO-UZUQRXQVSA-N 464.563 0.779 30 20 JCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1782181031 NDRJUTWIAZPZIU-PRCFCKQXSA-N 475.615 0.854 30 20 JCED CC#C[C@@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2)c1ccc(O)cc1 1782255497 IVNPQAPTJARNQF-JDRJUVJTSA-N 496.564 0.955 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1782852588 XVXGAONKSVKUGJ-QZTZHPFYSA-N 472.542 0.490 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1783683446 KJWWQIFATWVUOB-JOCHJYFZSA-N 453.536 0.206 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1784197675 RDJXDJSCHITMIH-LEAZDLGRSA-N 459.543 0.958 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1784478288 YWGBYBNLPFLZKT-VMXHOPILSA-N 467.563 0.280 30 20 JCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1784502404 RCNSCLZRAQYCCP-WNHJNPCNSA-N 457.593 0.229 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1784503037 MTUNISBYWAQDRH-HLXURNFRSA-N 481.590 0.928 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1784784950 BNOPJZDWMADMKZ-JKQORVJESA-N 463.535 0.311 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1785576553 JXTKTNJWWYVHNO-BXKMTCNYSA-N 472.542 0.954 30 20 JCED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc[nH]n4)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1787223344 JHRBIKSLOSLCKT-QAETUUGQSA-N 460.535 0.964 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1 1789347054 HRFHKFYDIKFSIH-QPBWXXGLSA-N 487.557 0.852 30 20 JCED CN1CCN(c2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)cc2)CC1 1791073250 WISWIDKUAUPEIT-JBACZVJFSA-N 454.527 0.120 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791077726 GLEXYVYMRLBUNS-STFUBORGSA-N 475.542 0.701 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-n3ccnc3)ccn1)C2 1792489738 NSLNJHBTKLPYQH-VQNZHGJDSA-N 450.499 0.329 30 20 JCED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccc(Cl)cc2)CC1 1792836454 GYBYBXXPEKKJEN-IRJINJETSA-N 472.973 0.445 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2 1793349857 OHWBMAJQIHDFSK-IECFSIQFSA-N 481.546 0.071 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Cn1cncn1)C2 1793597529 NFHOJAOKQVRZRA-ZSXDVEMLSA-N 476.578 0.973 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cc1 1795322676 YNHJTXQFMPVASE-NIWYBKIKSA-N 493.582 0.887 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1)c1ccc(O)cc1 1796574378 PVXNKPFWDZIOFP-FJIDUMEYSA-N 475.509 0.967 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CNC(=O)C2)C3)ccc1Br 1799711052 VUCMNJPGXHKZJC-ZXFNITATSA-N 461.316 0.660 30 20 JCED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800351933 XOTQJLGBKXHJKW-YYAJDYIMSA-N 465.551 0.251 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[n+]([O-])cc1)C2 1802125647 MHCVSWWDFROYAE-FCGDIQPGSA-N 458.515 0.440 30 20 JCED O=C(C#Cc1ccccc1)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1806617186 FCKFHRUQMDVFKV-DENIHFKCSA-N 456.439 0.864 30 20 JCED N#Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)ccc1F 1808549011 HMFSWYGWWGOART-UZUQRXQVSA-N 478.484 0.893 30 20 JCED N#CC1(C(=O)NC[C@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@H]2c2cccnc2)CCC1 1814048500 RVTCTUISHUUSAO-QUCCMNQESA-N 459.572 0.512 30 20 JCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819774739 SYYCXNVWXVLZTM-PGCIDKTFSA-N 469.531 0.572 30 20 JCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCN2C(=O)OCc1ccccc1 1828585163 RFEZQOCQAPSIPF-JPYJTQIMSA-N 475.567 0.752 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=N)N)C2)C1 1828923094 PLFMHWIVTCUJOP-QFIPXVFZSA-N 455.519 0.225 30 20 JCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)[C@H]1SC(=N)NC1=O 1829631852 MHZXYHCKAIXQBD-GANZUKCXSA-N 499.593 0.750 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(=C)Oc3ccccc3O)C2)C1 1829765956 BGLUICIUIPECCS-XXXZYALBSA-N 471.510 0.600 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465685 QAYPIKVIRKJTTB-JTSKRJEESA-N 482.986 0.829 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1830641060 NSXXVDPMCNZOTO-QHCPKHFHSA-N 460.531 0.938 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)CCO2 1830737970 JBZJIKIAKPXSTM-YQFKSVOFSA-N 494.589 0.462 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1831208342 LWMPDVLAPYVVQG-SANMLTNESA-N 479.533 0.471 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2)C1 1831386452 GPEDRTGKLAUMKF-RAZUEPIFSA-N 497.589 0.409 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1831390893 ABHDLOSAOJGOFV-WZONZLPQSA-N 478.567 0.127 30 20 JCED Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CCC5)C4)C3)nc2s1 1832110789 ZWWRKBPLODALEZ-OAQYLSRUSA-N 458.544 0.792 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc([N+](=O)[O-])c1)CCO2 1832172524 NFPHDHVOXSRBOA-FFYIOULGSA-N 486.525 0.842 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccc(C(=O)OC)nc3)CC2)CC1 1833075098 SMBMPDMBSNHOJG-SREVYHEPSA-N 483.569 0.912 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833126232 VCWIRXGGRFWHFU-YADARESESA-N 487.557 0.392 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1833470276 LNIOJQXXYSJWRQ-UHFFFAOYSA-N 458.563 0.744 30 20 JCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1833470923 WJHKFXOXVACVOO-UHFFFAOYSA-N 477.650 0.705 30 20 JCED CN(C)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1833663356 SIMDRMVHKORNFP-HQQBKKBHSA-N 455.515 0.930 30 20 JCED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1833817993 CFJLHKSXVFWYCR-QHCPKHFHSA-N 451.483 0.806 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)cco2)CCO3)c(C#N)c1 1834606221 NXRZXGNYWXIMFI-DEOSSOPVSA-N 467.478 0.833 30 20 JCED O=C(CN1CCCC1=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834626562 RPPQNSOBMCWDFP-JECJHWOISA-N 463.579 0.709 30 20 JCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834664811 GNYXMILPPZIGJX-UHFFFAOYSA-N 460.512 0.266 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835064222 SGOIMGKHOMPULT-IBGZPJMESA-N 492.573 0.282 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1835676826 BUXWQMQOJAIPDY-HSZRJFAPSA-N 454.531 0.686 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837016170 OHVBAKYZFVVUEX-CZPFPOATSA-N 472.502 0.328 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1837310121 MIKRYTLAIAMLPQ-XUZZJYLKSA-N 460.619 0.991 30 20 JCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837482650 XXYKFGREOGIJEE-VRYUEXSASA-N 476.534 0.262 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(-c3ccncn3)noc1C)CCO2 1838490886 KISJHVQOMVTDCZ-UUMVVRSSSA-N 496.524 0.368 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)c1 1838580647 PDQYNNWWHGYPMJ-DEOSSOPVSA-N 472.542 0.359 30 20 JCED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838737275 MUAZMVJTGXZGQF-NRFANRHFSA-N 458.544 0.921 30 20 JCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c(O)c1OC 1838739315 PWPUMOGZOFDCNZ-QHCPKHFHSA-N 470.482 0.993 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1839173352 LLQNAENFUJFHJY-HSZRJFAPSA-N 471.514 0.397 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1839185050 LWOOSXMBRVXWOE-UZUQRXQVSA-N 492.577 0.745 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1839655206 LPGWPZRVHXPKTQ-JOCHJYFZSA-N 477.562 0.180 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839693802 ZWYIJYIEADOPIY-KOSHJBKYSA-N 473.574 0.641 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840071687 DNMLSANXEGCMGX-MRBHHPDMSA-N 492.573 0.628 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840160514 JCKKNRMWNCBLDW-QEEYODRMSA-N 461.581 0.301 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1840909327 RFMMAARRAINWSW-IIBYNOLFSA-N 453.511 0.862 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)CN3CCNC3=N)C2)CC1 1842909879 YVDPAVGMNICEJM-UHFFFAOYSA-N 473.578 0.571 30 20 JCED CCCS(=O)(=O)NC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 30134168 MCQPZXJJPXCUAI-UHFFFAOYSA-N 497.643 0.185 30 20 JCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 504022140 PTBKYGCCEYGUCO-UHFFFAOYSA-N 462.619 0.993 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCNS(C)(=O)=O 593991862 WCHGTWHPFJVXSW-LBPRGKRZSA-N 469.535 0.855 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCc1cccc(C#N)c1 603715161 FMNHXVPQSCVFGN-UHFFFAOYSA-N 458.496 0.843 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O 608911290 YXRZCKXMRKSQFU-UHFFFAOYSA-N 467.320 0.326 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)c1=O 725780730 BBJZGMVJZWCORA-UHFFFAOYSA-N 490.358 0.722 30 20 JCED N#CCOc1ccc(CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 727947207 FWTYSGQYKSJCJY-NRFANRHFSA-N 464.478 0.858 30 20 JCED CCn1c(CCC(=O)OCC(=O)NCC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 731234235 ZPAMCIOBRPXFRQ-UHFFFAOYSA-N 463.516 0.193 30 20 JCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)N(C)C(C)(C)C#N)c1 747991591 JRJJXFCYQAXIBB-UHFFFAOYSA-N 452.533 0.751 30 20 JCED CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 913174137 WYZOJOXYODGDKC-CQSZACIVSA-N 452.489 0.069 30 20 JCED CCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C(=O)C1=O 918635501 PRNVKFZDMDJENE-PTGBLXJZSA-N 463.560 0.909 30 20 JCED CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)NCCN1CCOCC1 1125005860 UFQVOWUAEHQGIE-KPLVRAHFSA-N 455.559 0.890 30 20 JCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286628166 YVGJHHWKIBIIDM-LSDHHAIUSA-N 458.972 0.613 30 20 JCED CC(C)N(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1303297889 UYPXNUZYPZYXTL-ZWKOTPCHSA-N 469.612 0.459 30 20 JCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)[C@@H](C#N)C1 1309272698 XWZJJSTXPXULJU-HNNXBMFYSA-N 458.562 0.740 30 20 JCED CCN1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1 1502270769 SQHKSXMUMNSDJB-PKOBYXMFSA-N 487.634 0.823 30 20 JCED CC[S@@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1552428417 IDSHMIFIOMHEQX-AUMHUTNHSA-N 477.616 0.542 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)N(C)C1CC1 1611705163 OCPJTIBSISAVOW-IRXDYDNUSA-N 487.634 0.964 30 20 JCED N#CCc1ccc(OC[C@H](O)CN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1654210704 UFFOJPBKUGSTLH-MRXNPFEDSA-N 450.483 0.943 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(=O)N2CCCC2)n1CCC(=O)N(C)C 1693752038 YKMJSFBZMBSLJI-MRXNPFEDSA-N 466.550 0.369 30 20 JCED CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1708771651 RAUXFSHSZMSGHV-NVXWUHKLSA-N 462.580 0.907 30 20 JCED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1743207420 LBRBHFVQPKLSBE-MRXNPFEDSA-N 473.559 0.431 30 20 JCED C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)c1ccco1 1751245788 IZFLDKZOOYRSBY-ZOCIIQOWSA-N 468.511 0.554 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C1 1778082565 UTGQZHMTKANZHH-YGPDAJCISA-N 466.604 0.876 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)C1 1779137843 JLPIIWMIHOAGHB-QCYAZGCDSA-N 490.557 0.900 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3c[nH]c(=O)cn3)C4)c2c1 1781207097 WXMMVHGSNNBGCA-WZONZLPQSA-N 461.482 0.959 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1781290254 HPDFVCJOAYEJFQ-SBUREZEXSA-N 481.594 0.947 30 20 JCED CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cnc2C1 1783567183 SMJDMMFMEUZRBS-HSZRJFAPSA-N 487.513 0.165 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783603805 VTXSJIFVWYAKRQ-TUFLPTIASA-N 486.569 0.966 30 20 JCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOC4=O)[C@H]3C2)c(C#N)c1 1784280419 XPWKDEDGJRDOFA-VDGAXYAQSA-N 456.499 0.541 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1786859391 FYUGEPYWQATFOK-KNJMJIDISA-N 459.591 0.649 30 20 JCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)ccc1F 1786978853 CWXNFWUPILJMEZ-QOKNQOGYSA-N 479.472 0.264 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)n(C)c(=O)n4C)[C@H]2C1 1787959222 UBCGVORHXMTGQK-VWZTXQRKSA-N 481.553 0.329 30 20 JCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5ccc(C#N)cc45)[C@H]3C2)no1 1790327498 MYLDTORSTUSBDE-KNBMTAEXSA-N 491.508 0.754 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1792268005 QXJADAHJDRYQEY-JVTQKCJESA-N 487.557 0.833 30 20 JCED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)C(=O)C1 1792308403 JXALSWIPRSOBPU-BZSNNMDCSA-N 489.573 0.349 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792833423 OQSXOWLNZYVQTJ-GJPCKUABSA-N 476.537 0.689 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1793086275 SLTMQJSNLFJTNC-XAPVIXHLSA-N 486.569 0.966 30 20 JCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1793087494 CNCLLXQQRNRLFL-RFXPCRSYSA-N 465.547 0.746 30 20 JCED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1793980168 PQJZDVBIKKFTHF-ALXJQNPVSA-N 486.573 0.016 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)n[nH]2)c(C(F)(F)F)n1 1795691375 YJZPYEGAMAHWSK-KEODLESXSA-N 450.377 0.918 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](CC)NC(N)=O)N(C(=O)OC(C)(C)C)C1 1796324002 LGPZXKKPOQPVIW-MDMSPXHWSA-N 479.578 0.589 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799063812 DKRFNBONSDWQDB-AMVTXUCVSA-N 490.582 0.022 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CN)C2 1799232312 ZRCVTMJITYTWHK-OYSTVDSJSA-N 450.580 0.868 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1799304437 QZGHRBLGBGFRLY-STEXWYFWSA-N 495.573 0.313 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1799332180 VXHLPRZVVLQSSJ-XLKKCASTSA-N 486.569 0.959 30 20 JCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1800710672 OYCKPWZBSNKZEO-VIQHNZTISA-N 469.604 0.920 30 20 JCED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2)NC(=O)OC(C)(C)C 1801928570 HHOAEJSNWFYINS-CURYNPBISA-N 478.590 0.962 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1803909844 SQVDNXJHNLVCLI-UEXGIBASSA-N 486.525 0.811 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806077552 GHIFMMDRFKENMO-MDYRTPRTSA-N 450.499 0.379 30 20 JCED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)[C@H]2c2cccnc2)c(C#N)c1 1808179343 NDLJOBGEZKHVNO-BZVKRPRLSA-N 463.538 0.933 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CNC(=S)NCC)[C@H]1c1cccnc1 1812329659 VEQLMOLSGMJPOW-DCTNLQOOSA-N 458.588 0.430 30 20 JCED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2c2cccnc2)c(=O)nc1O 1814039240 BUAWPWOBSCPBSK-PXNSSMCTSA-N 461.482 0.872 30 20 JCED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1)[C@H](O)N1CCOCC1 1819445925 GVCMDQKKBGCWJA-AVRDEDQJSA-N 459.547 0.751 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)c1 1821385804 UIFMFQLRFXHLSI-LBPRGKRZSA-N 491.493 0.689 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)COCCO)C2)C1 1828580867 XCZOEPHMQNDDGK-CPJSRVTESA-N 487.553 0.486 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1828581015 XHGMEFYFETWEOC-DIVYTMEGSA-N 498.580 0.200 30 20 JCED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1828806613 XVOKCHUUZIEGQZ-FDDCHVKYSA-N 453.499 0.631 30 20 JCED O=C(CN(CCO)CCO)N1CCC([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828951524 BDYTVQFTVSRVCF-QFIPXVFZSA-N 463.619 0.591 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C1 1829260507 RATKKARAQXACCS-WZONZLPQSA-N 490.582 0.400 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1829262749 ZOOZYQAAMLRBHX-DEOSSOPVSA-N 477.477 0.874 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1829266284 RREJTQCUJPVWND-LVXARBLLSA-N 481.597 0.708 30 20 JCED Cc1nc(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCN3C(=O)OCc3ccccc3)C2)no1 1829330451 HEKACBLIELSJJR-DEOSSOPVSA-N 495.492 0.461 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(C(F)(F)F)n3)C2)C1 1829764807 WJHYZKURYLEHOY-ICTHTSFCSA-N 496.486 0.958 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cc(O)ccc4n3)C2)C1 1829766085 KUUNWEFEPDNRIL-CNXHMKESSA-N 480.521 0.869 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cn1 1831214888 ARRWUHPWMSIRLB-QFIPXVFZSA-N 461.540 0.110 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1831392082 JAAYTNHIDJYUNZ-SBUREZEXSA-N 465.547 0.348 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(NC(C)=O)c3)C2)C1 1831397762 XDGARZSZIBAFIF-OSPHWJPCSA-N 473.526 0.762 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1831438091 MIOUBQTZSMKHSM-CYFREDJKSA-N 459.543 0.772 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1831999141 XHPPDQAQGVNFJE-MFEFFIJZSA-N 480.562 0.191 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832358376 ZCKJLEOTWCLLTB-UQBPGWFLSA-N 489.617 0.516 30 20 JCED N#Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)C(O)O)CC3)CC2)ccc1Br 1833222178 MRAJOUUWGTXLIM-UHFFFAOYSA-N 465.348 0.817 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(O)nn4)CCO3)C2)c(C(F)(F)F)n1 1833831159 XRGDGLSUODJXIR-HXUWFJFHSA-N 492.414 0.851 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)c3cnnn3C)CC2)CC1 1833899938 AGAKBANGVIXSCO-IBGZPJMESA-N 487.605 0.917 30 20 JCED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)CC1 1835481304 LHZIWTYWCRXGTD-UHFFFAOYSA-N 461.655 0.087 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCNC)CCO2)C1 1835658474 PVKWXNKWXYRULP-FDDCHVKYSA-N 468.595 0.912 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1835677235 CMDFWDCCKYKDJC-QHCPKHFHSA-N 454.531 0.686 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836257828 NZHAFTRUJWBIOK-ZHRRBRCNSA-N 478.571 0.677 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836872236 YZDGEXBJZRVUIY-YQNSVDCASA-N 455.519 0.271 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837529023 OQRZJPYHBIBSQQ-KHLOOKIASA-N 461.519 0.428 30 20 JCED COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)CN4CCNC4=N)CC3)CC2)c(C#N)c1 1837862097 WQSRLEOZJHFMRJ-UHFFFAOYSA-N 482.585 0.948 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1838356861 CPRJNJMNDXBOEQ-YJBOKZPZSA-N 456.540 0.850 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838424952 ACHNHENSBJWSKT-VJIOCRDPSA-N 472.502 0.328 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949540 HTYVKPRULPTERY-NTKDMRAZSA-N 488.541 0.514 30 20 JCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)N1CCN(C)CC1 1839101432 KHIOOKLEKSXDNR-SQJMNOBHSA-N 454.571 0.130 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4nc(C)no4)C3)C2)c(C#N)c1 1839132057 PMETXYFAOYWINI-HSZRJFAPSA-N 469.498 0.500 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839203476 MECIOCFGLRQAMJ-JPYJTQIMSA-N 465.547 0.132 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([N+](=O)[O-])c1Br)CCO2 1839289896 JSFVRLJLWFKSFR-IBGZPJMESA-N 496.270 0.515 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc5c(c4)CCNCC5)CCO3)C2)CCC1 1839694749 SKOSVQHFFDVNLS-XMMPIXPASA-N 453.543 0.534 30 20 JCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)n1ccnn1 1839707789 GHFCVJHQPMXHIN-MZSRDANUSA-N 459.528 0.796 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)CCO2)C1 1839803880 BCAYODZEKDDLLA-FNZWTVRRSA-N 499.564 0.750 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840011195 RPMOZPHKWQUFDP-OGPHDPQKSA-N 491.541 0.319 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(Cc4ccccc4)C3)C2)C1 1840040950 HIXWKHLYHXPWSA-SQJMNOBHSA-N 469.538 0.443 30 20 JCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840055237 LYNKAEKARRFILJ-QMHKHESXSA-N 494.545 0.203 30 20 JCED COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1840077828 NPYNUJKUJZHVNU-VWLOTQADSA-N 489.569 0.892 30 20 JCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840160517 JCKKNRMWNCBLDW-SXGZJXTBSA-N 461.581 0.301 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](C)S)CCO4)CC2)CC1 1840161213 IDRLFBSHHDBIRC-UUOWRZLLSA-N 496.674 0.484 30 20 JCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840181381 YQNBYIBWFWTHEQ-PKTZIBPZSA-N 477.489 0.312 30 20 JCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)n1cnnn1 1840478248 LEYFTMUPXPCINT-VBKZILBWSA-N 459.894 0.529 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1841604199 DXRMYRVXHCAKSV-DLBZAZTESA-N 479.578 0.570 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@H](NC)C(=O)O)C2 1845130672 TYKDGOVBPFAAMV-IRXDYDNUSA-N 464.563 0.949 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845874231 KJXBABWFKKQVCU-HRCADAONSA-N 465.576 0.171 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1847069402 MBDPOAVNXNRBFW-IAGOWNOFSA-N 494.589 0.992 30 20 JCED N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)ccc1F 480968292 DQKXZJNVYWNKAJ-UHFFFAOYSA-N 471.470 0.664 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(CC(=O)NC)CC3)nnc12 497341519 ODRZWCLEWSGBAQ-UHFFFAOYSA-N 455.544 0.213 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc(C)n2)c1=O 514919531 GOJLTLCYXWCUKL-UHFFFAOYSA-N 491.639 0.053 30 20 JCED C[C@H]1CN(C[C@H]2CCCN2CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 520044272 DYHJQSOAMCVFEK-RZUBCFFCSA-N 489.642 0.965 30 20 JCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1 522539863 CDIMTTGHPQRJJC-UHFFFAOYSA-N 498.586 0.253 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 523476749 HMKAPOHOHWCYNV-UHFFFAOYSA-N 485.566 0.522 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1CCc1ccccn1 523861746 HTJRXAWATQMHEL-UHFFFAOYSA-N 464.547 0.822 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(N)=O 524281852 CXBQRDGDTGYPCE-UHFFFAOYSA-N 474.926 0.339 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CCc1cccnc1 609038274 KXEWHEFWSPNOHO-UHFFFAOYSA-N 494.573 0.830 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCN(S(C)(=O)=O)CC3)nnc12 642216261 OPFOEZUVZHZKRC-UHFFFAOYSA-N 476.584 0.863 30 20 JCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)cc1OC 725762653 QUDXSNGSUNXNFM-UHFFFAOYSA-N 473.551 0.754 30 20 JCED C#CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CC(C)C)CC1 728533717 QDSKFRNTVQMIEQ-UHFFFAOYSA-N 466.542 0.538 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccc(OC)cc1 837428346 JAIKUWLYWYAUIA-UHFFFAOYSA-N 451.552 0.924 30 20 JCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 853665088 XSJFAEISFJASIY-UHFFFAOYSA-N 484.534 0.932 30 20 JCED CN1CCN(C(=O)c2ccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 915650687 BNBRWYMQEUAGKJ-UHFFFAOYSA-N 455.540 0.429 30 20 JCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 916184707 GJIJWHZAQSEFHI-UHFFFAOYSA-N 456.480 0.951 30 20 JCED C[C@@]1(C2CC2)NC(=O)N(CC(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 917013066 GWBQDAMKVGTSGA-JTSKRJEESA-N 468.470 0.673 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cccc(S(N)(=O)=O)c2)c1 918441179 XPJUSTOGNKTXCS-MOHJPFBDSA-N 493.567 0.402 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C1CCN(C)CC1 920399579 SRBXLKFPAMDBIF-UHFFFAOYSA-N 472.615 0.183 30 20 JCED Cn1c(=O)c2cc(C(=O)OCC(=O)NCC#Cc3cccc(C(F)(F)F)c3)n(C)c2n(C)c1=O 920605538 RETZDZJHRTYBIY-UHFFFAOYSA-N 476.411 0.919 30 20 JCED CCC(CC)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1291934034 VDGUWAWERHVNHM-RTBURBONSA-N 495.650 0.993 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)C1 1359151734 ZSZZBXWFJRULHT-HNNXBMFYSA-N 460.988 0.668 30 20 JCED C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1359478381 RNBFHQCHSHHAAE-MRXNPFEDSA-N 471.587 0.650 30 20 JCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1463883811 KFNMFGJYMHGIDE-UZLBHIALSA-N 455.540 0.596 30 20 JCED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1494656587 NZYBJQOCXHMRHA-YCRPNKLZSA-N 460.560 0.875 30 20 JCED CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1508341499 JBNQAMMCRIWATC-UHFFFAOYSA-N 475.575 0.725 30 20 JCED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1518656059 PELKYTJSEVEWNN-LJQANCHMSA-N 483.573 0.744 30 20 JCED CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1554396041 SGCKAGPDNYVSCA-DOTOQJQBSA-N 460.560 0.982 30 20 JCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCN1S(C)(=O)=O 1555953938 JVANKSHULRIISI-HNNXBMFYSA-N 466.589 0.722 30 20 JCED CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617709339 MDLAHIKPZZZSOP-UHFFFAOYSA-N 467.559 0.825 30 20 JCED COc1cc2c(cc1S(=O)(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)C(=O)NCCC2 1662237632 ODJPRWLFJDSBJN-AWEZNQCLSA-N 456.528 0.932 30 20 JCED CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)N1CCCC1 1694399495 RUMPLEPOPKRIEO-UWVAXJGDSA-N 469.587 0.927 30 20 JCED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cc1O 1711836120 FTEBXTGKMQUMIA-YOEHRIQHSA-N 475.575 0.827 30 20 JCED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N2CCSCC2)CC1 1712883156 UGFZYOOWPWCLCS-MRXNPFEDSA-N 488.661 0.299 30 20 JCED CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCN1CCOC 1727801915 LHBSGVRWIOEBPG-REWPJTCUSA-N 488.614 0.913 30 20 JCED CC(C)(C)S(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741242617 JIODDKGNEMOSIR-QGZVFWFLSA-N 463.608 0.790 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1743207940 MYDBPRFEWLPVSG-XFQAVAEZSA-N 492.581 0.999 30 20 JCED CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1750526989 VQGNGZOUKYWTIN-OXQOHEQNSA-N 485.586 0.164 30 20 JCED CC(C)N1CCC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1750897489 IIICIRIQCUXPSB-DLBZAZTESA-N 452.581 0.144 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COCC)CCO2)C1 1778920952 IQENOJTUHMWQQR-HXOBKFHXSA-N 498.577 0.658 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1778980234 SNVUFPUUUXIZBN-OPAMFIHVSA-N 462.572 0.295 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779096554 KSFPJBOHPUFKEW-NRYAXDJKSA-N 496.605 0.326 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)n1)CCO2 1779100913 FWEDNKJVBBNJCG-WPGPLNCSSA-N 487.557 0.891 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1779419609 DQCIYKLCZOPYCX-ZQEIRBSDSA-N 476.530 0.344 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1781290191 GBGQXXOHEXZJAS-WCJKSRRJSA-N 466.535 0.784 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781339290 BUDBAGUAMMZNRQ-HYFFOGBASA-N 470.567 0.893 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](F)CN3C(=O)OCc3ccccc3)C2)C1 1781388556 QSRXILKCMLIANO-JXQFQVJHSA-N 487.484 0.654 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1782786656 CRYOTNODGPGCEE-QFIPXVFZSA-N 469.429 0.911 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1783583187 LKYQUUAFXZWEPT-URUQKROJSA-N 469.604 0.893 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1783769459 TYCHWLANBKDRMU-YVHKJVDXSA-N 485.603 0.863 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1783897055 HKHBWZCBPPEJTL-AVYPCKFXSA-N 493.648 0.463 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783928619 LKAVTHYMJSCEAO-GMWOSMDTSA-N 483.562 0.902 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1784439544 YXWNCPGTENGVFX-TTYHFUOFSA-N 462.572 0.408 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785314580 GOKXFEFNYWUWOS-SBUREZEXSA-N 463.531 0.942 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785607744 WCODETBLCNVDKN-HTZUNMPGSA-N 472.608 0.539 30 20 JCED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1785667001 KDICJOHIOPVBQU-HSZRJFAPSA-N 496.630 0.815 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]2C1 1786844006 BUCHGGPTFBZMBM-SWLRZZBJSA-N 493.605 0.067 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)NC(=O)c4cnccn4)C[C@@H]32)c1 1789258705 RHDKHAOUKGONMD-SJJRHLGGSA-N 492.536 0.769 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789957276 ORCZQWYAXJXEMN-IHXHSXLNSA-N 462.551 0.238 30 20 JCED C[C@@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)[C@H]2C1 1791192004 HZUIXHWTHNHYGV-JSRQGNBESA-N 486.635 0.702 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C[C@@H]21 1791263739 LINPKSBVAIYDEI-GVZUZGFXSA-N 457.593 0.968 30 20 JCED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCC2)cc1 1791576260 VPJNADYJPUWFRX-ZDUSSCGKSA-N 470.555 0.886 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)C2 1793346959 SOXKZQSDIKFWFH-OGJJZOIMSA-N 463.531 0.540 30 20 JCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(S(=O)(=O)CC)cc1)C2 1793347404 CVZQARSCPCQQIY-NSAZKJPHSA-N 462.568 0.651 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2 1795598064 BKCBERKPAJSGSU-BJESRGMDSA-N 483.613 0.759 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2cc(C)ccn2c1=O 1797067348 AEPKSSOJGWVKHR-UPHUGPLXSA-N 468.510 0.716 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1799361793 HZYWCHIUQKUOFX-SRYPRDQNSA-N 486.569 0.966 30 20 JCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(n3ccnc3)CCN(C(=O)OC(C)(C)C)CC1)C2 1800455512 DNIAFPANCFPJBE-OPVJXMOQSA-N 471.558 0.832 30 20 JCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1800980637 BUNKPRZUBLKMPE-KVWRPFDZSA-N 471.620 0.902 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)[C@H]2C1 1801992927 ADWCKKXKJXZKAS-NWCWSAAOSA-N 461.515 0.595 30 20 JCED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810331872 OZEYVOMFWZEJFQ-DVECYGJZSA-N 464.522 0.711 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1814437247 OPPNLFNNKHCCCY-IDTUSYRASA-N 465.474 0.305 30 20 JCED Cn1c(=O)c2c(ncn2CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC3CC3)[nH]n2)n(C)c1=O 1815797738 XXMNYMRJNNMTNQ-MRXNPFEDSA-N 478.513 0.263 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](N)CN)CCN3C(=O)OCc3ccccc3)C2)CC1 1829047269 PQYXAMSGYZLQED-FDDCHVKYSA-N 454.531 0.028 30 20 JCED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1829351238 IWNIENKOZJXABG-VFNWGFHPSA-N 463.560 0.425 30 20 JCED C/C(=C/C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(=O)O 1829460352 LHJKRIUNUINVJR-OPUIEBAWSA-N 483.477 0.557 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)cc1 1829628383 QDYLTODBENGTGX-RDPSFJRHSA-N 454.527 0.473 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cc1 1829631055 GDXSHXJNZNPTCB-JOCHJYFZSA-N 468.470 0.892 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncoc4c3)C2)C1 1829766375 VODQYMJFRLKRPU-IYZQMXKPSA-N 454.483 0.756 30 20 JCED CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1830038422 HMUUNSHWWPKUOU-QHCPKHFHSA-N 457.531 0.218 30 20 JCED COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1 1830217318 OBCQXYZCOIJLRW-IXZNILOLSA-N 491.541 0.714 30 20 JCED O=C(O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)ncn1 1830465330 DAXLAHVTGWGYTR-QHCPKHFHSA-N 484.896 0.950 30 20 JCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1830642000 JPDXCKSIODDHSR-XMMPIXPASA-N 462.591 0.375 30 20 JCED COc1ccc2c(CC(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)c[nH]c2c1 1830820153 UQMNFISCMOBTRD-HSZRJFAPSA-N 455.467 0.263 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=CCN(C(=O)OC(C)(C)C)C3)C2)C1 1831388046 PKUWVGBQBMFNJQ-HOYKHHGWSA-N 477.558 0.658 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831398427 AWROIDGUSPMBGM-QMHKHESXSA-N 451.483 0.543 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831666306 WWABODUTWAAYLR-QZTJIDSGSA-N 465.547 0.970 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1832000640 USIBZKVUATXKCE-HJPURHCSSA-N 491.545 0.309 30 20 JCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)c(=O)[nH]c1C 1833389692 BPGBCIQHAXDXJI-XMMPIXPASA-N 483.500 0.710 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833563941 IAMDVYXDQGBGFH-HTAPYJJXSA-N 481.571 0.287 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](CC)NC(N)=O)C3)C2)c(O)n1 1833699227 VYAOWRXDYLZYIN-WZONZLPQSA-N 475.546 0.423 30 20 JCED CC(C)OC(=O)c1ncccc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833941496 NCCJTRUWYZGXHE-UHFFFAOYSA-N 470.526 0.920 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833967474 ZVGDOAMHVIMUKA-UHFFFAOYSA-N 471.562 0.642 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835362687 RMUYNPVWUFOMDB-ZHRRBRCNSA-N 482.534 0.203 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)CC2)CC1 1835670155 WDDDDAHUPXPZAJ-GESBFJBKSA-N 457.619 0.757 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1835674662 CMOKEMRICVVOGA-QZTJIDSGSA-N 450.458 0.038 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1835677708 VCPXAJZGLVIZFH-DEOSSOPVSA-N 466.542 0.982 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cccnc1)CCO2 1835680293 GQRPNDANDXTTRD-NBBDWSPISA-N 457.531 0.197 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCc5cncnc5)CCO4)C3)c2c1 1836055586 ITVDMGUHUILSLF-DEOSSOPVSA-N 475.509 0.927 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nc(Br)nn3c1)CCO2 1836255710 OZVLRSJAFSDUFL-HXUWFJFHSA-N 476.331 0.975 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1)n1cnnn1 1836520550 LPXAZUZYUYRMIQ-XHSUDLSASA-N 460.516 0.191 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)N1 1837115528 KEHVEVYIOYJFAM-PKYUIECSSA-N 479.534 0.112 30 20 JCED CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837427284 OBNZBJTZUKTJQI-JOCHJYFZSA-N 466.655 0.765 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1837559792 ICGGJTITFWEKNK-MVMRWKLOSA-N 469.494 0.995 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1CSCSC1)CCO2 1837567730 VIIHNCHOEJHIBS-ILXQMQRGSA-N 484.644 0.344 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c(C#N)c1 1837797410 KRVIHIBLNMAPFP-QFIPXVFZSA-N 484.469 0.511 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839124330 YJZVXCCFIWDRHL-GLYQVZKVSA-N 478.590 0.502 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839130488 BLGKCGZLXQLTPK-KOSHJBKYSA-N 491.541 0.228 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)c(C#N)c1 1839131270 ABNTVQSQPYZZTN-MWTRTKDXSA-N 458.515 0.077 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ccccn5n4)C3)C2)c(C#N)c1 1839131807 AKAQVVOPLQLOSY-RUZDIDTESA-N 490.520 0.922 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c(C#N)c1 1839132520 JCHFGZSDDVKWFT-BJKOFHAPSA-N 489.525 0.182 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1839173627 BTSVMZXSDDIPJP-XMMPIXPASA-N 483.525 0.847 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1839174681 RNJKLULBYJBJIP-QHCPKHFHSA-N 475.498 0.432 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1839176311 HDWMPYCYPFECGP-YDIMBITNSA-N 478.542 0.708 30 20 JCED Cn1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2ccc(F)c(C#N)c2)CCO3)cn1 1839189457 LSMVZUSJSGCCIB-QHCPKHFHSA-N 455.490 0.672 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839194469 LGUYRGORSPYREN-NTKDMRAZSA-N 497.589 0.149 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839204624 TVSPOJGAHIFQJE-JXCVUKRWSA-N 456.337 0.229 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)N1CCN(C)CC1 1839421365 MBQYYFLDFXFOMB-MHECFPHRSA-N 473.549 0.403 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)CC3(F)F)C2)C1 1839809780 LEEFBTOLMDHYCZ-IERDGZPVSA-N 471.501 0.968 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4nccnc4CN3C(=O)OC(C)(C)C)C2)C1 1839811075 FGLDDENEVXCYLT-CYFREDJKSA-N 485.541 0.228 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOCCOCCOC)C2)C1)C(F)(F)F 1839894794 RRSZVGXQOUUERY-FQEVSTJZSA-N 498.495 0.258 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C[C@@H](F)C1 1840042750 MZASKEJNRGAXCJ-YGKZAACZSA-N 497.520 0.126 30 20 JCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1Cl 1840204815 OEENHCTXQKYBSS-LJQANCHMSA-N 488.850 0.960 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1840844313 OGZGNQCGSMAPJM-KBVWPGPTSA-N 461.559 0.969 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1840945252 PXCHYNNIXJQANY-QFIPXVFZSA-N 491.520 0.915 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)CS(C)(=O)=O)C3)CC1 1845137138 LOTZYMGAMKWRKY-UHFFFAOYSA-N 468.576 0.775 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)[C@H]2OCC[C@H]21 1846246273 UWXRJMAMBOBHGQ-GPMSIDNRSA-N 461.515 0.692 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(N)=O)C2 1846366112 RMQUXBNLJGEUBU-HNNXBMFYSA-N 481.550 0.261 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1C 500542825 BKYBRHGDCBVTCY-UHFFFAOYSA-N 460.512 0.800 30 20 JCED Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1S(=O)(=O)NCC#N 517475834 MHOKHPGLPZOBMZ-UHFFFAOYSA-N 498.608 0.809 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3noc(C)n3)cc2)c(=O)n1C1CC1 517986488 VZGBHDGYBAQMEW-UHFFFAOYSA-N 481.534 0.781 30 20 JCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 522539092 ZFRLNKKSDULDSP-UHFFFAOYSA-N 498.586 0.760 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2OCC)c1=O 603796288 DJVCPABAWCYEJD-UHFFFAOYSA-N 470.595 0.670 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 729257389 AOPJKTKSJXHLNH-UHFFFAOYSA-N 476.599 0.380 30 20 JCED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 753661500 BKDHFHGSCAAUGU-ZDUSSCGKSA-N 452.876 0.859 30 20 JCED CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 913243667 ZOFSNHRXPDPXQC-CQSZACIVSA-N 452.489 0.069 30 20 JCED Cc1nnc(N2CCN(C(=O)[C@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1C 1164187037 JTNCXTKCRQIPOB-KRWDZBQOSA-N 459.576 0.926 30 20 JCED CN(C)S(=O)(=O)c1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1503405705 MTXRVYIRLAZALW-QGZVFWFLSA-N 473.559 0.428 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1503773696 VKDYXEQFXWKBFU-AEFFLSMTSA-N 458.544 0.593 30 20 JCED COc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1518227093 JHKCZVHAQVYGBC-LPHOPBHVSA-N 494.549 0.730 30 20 JCED COCCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1619922773 MQRFLUFBALORKE-KXBFYZLASA-N 450.569 0.910 30 20 JCED CC(=O)NCC(=O)N1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1620484092 LISILQOJZYYKFA-OAQYLSRUSA-N 458.538 0.205 30 20 JCED CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1626756336 QRWKQQATUJPVIP-OAHLLOKOSA-N 453.952 0.258 30 20 JCED CC(C)(C)S(=O)(=O)N1CCC(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1633956431 MZHRNQWSICIXGY-UHFFFAOYSA-N 456.590 0.824 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CCO1 1696970237 TXTFKTKFXBHHKP-KRWDZBQOSA-N 455.519 0.452 30 20 JCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C(C)=O)CC2)c(OC)c1 1697381745 YEEIXDLSCBFAHE-IBGZPJMESA-N 469.546 0.855 30 20 JCED CC(C)NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1723645873 LJPXSYGFEGRGKA-IBGZPJMESA-N 450.547 0.948 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CCO1 1748211340 YZKVCZHIIWVBIR-PXNSSMCTSA-N 453.547 0.736 30 20 JCED C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(C)(=O)=O 1750063964 VSYFXBBVZBMUAH-AWEZNQCLSA-N 454.578 0.836 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CCO1 1760668785 QWQNCTTZWMTVDO-UTKZUKDTSA-N 453.547 0.879 30 20 JCED CN(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1766904396 NWQUEZRGEBANMB-QFBILLFUSA-N 469.587 0.927 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(OC)cc1C#N)C2 1779204228 VTGJLNNIGZJXLS-WNOPAQSVSA-N 488.541 0.688 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1779236189 BLCZLUUSFGDXOO-DGEAWOGYSA-N 458.563 0.588 30 20 JCED CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779396581 SNPZSHHJETWNHH-WIYYLYMNSA-N 454.589 0.634 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1780172664 VSLJLWWJAFWZML-JOCHJYFZSA-N 453.455 0.585 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781323241 UTGHVXWBGMBLOI-NPFVIJTESA-N 453.536 0.295 30 20 JCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1781852471 BIAWGWVEAAYRQW-WMZHIEFXSA-N 458.515 0.774 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CCNC(C)=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1783190980 HKGWKLJVGRTSEM-FDDCHVKYSA-N 464.563 0.908 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C[C@@H]21 1783530530 BCKKMIRMFNKFFD-AZNNGLMOSA-N 496.608 0.460 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C[C@@H]21 1783530722 WOEDKRHLHROLCA-DHHFMQQHSA-N 470.526 0.802 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567674 WAVPCGVDCGQNPF-MFEFFIJZSA-N 463.531 0.988 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785331293 RJFWWYNTBATLJK-MHEOJOEOSA-N 474.558 0.546 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(O)n4c3CCCC4)[C@H]2C1 1788789425 INBBTHVOPOGYCN-BQFCYCMXSA-N 458.563 0.800 30 20 JCED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cnnn4)C[C@@H]32)ccc1Br 1790197419 IGYVPONPIUSOQC-QRTARXTBSA-N 474.319 0.601 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccncc4=O)[C@H]3C2)c(C(F)(F)F)n1 1790580917 FUYXKYQUYFSUEX-JQFCIGGWSA-N 490.442 0.822 30 20 JCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C34CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 1790793517 MTLIRICPBFHKFC-VJANTYMQSA-N 488.585 0.363 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C[C@@H]21 1791265315 DCSZIVARITZHDS-UVPYHEFZSA-N 459.609 0.949 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CC(N)=O)C[C@@H]21 1792255358 JEJPBPRCGVXCQC-FPSMNIFISA-N 464.563 0.394 30 20 JCED CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)cn1 1792558094 UEAYBBLUCLUTCE-JHDGKUDLSA-N 482.562 0.944 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)OC 1793360110 QQMULPNMUWIFOE-YYAJDYIMSA-N 485.603 0.952 30 20 JCED O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1793959401 XUFHHRDIIODDJT-HATOLVCRSA-N 454.527 0.100 30 20 JCED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)c(=O)[nH]c1C 1794311867 SLKJKDRBAKTZTG-JLVBRIDZSA-N 461.482 0.652 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795080300 ZMDDXQWGEYHISW-PZPPHJHLSA-N 450.536 0.498 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795358351 HZBDMFHDODVUSN-JYYAWHABSA-N 459.565 0.090 30 20 JCED C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=C)CN1C(=O)OC(C)(C)C)C2 1797948291 ZHNHJGAQFUKVFC-JNIAIEOXSA-N 476.574 0.832 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1I 1798115205 DIKSBQIEPZVSQG-FMSGJZPZSA-N 474.299 0.809 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798428009 ARUDRRXLLDYQMM-LDHYTYPDSA-N 451.568 0.982 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798632690 LFEUHONCKZXJEN-KRXQYRFLSA-N 461.519 0.443 30 20 JCED CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)cc2)CC1 1798921603 VMTWGGPZAFUQDC-ACDBMABISA-N 460.556 0.433 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1799321925 RWLNRDMKAZEMIT-KMOPNRPKSA-N 482.578 0.498 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1799334707 UAPQZDJFTVCOCG-XAPVIXHLSA-N 482.541 0.739 30 20 JCED CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800774393 KGKANIPHSQJSMA-AXVVYFOYSA-N 465.547 0.994 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NC(=O)NCC)[C@@H]1c1cccnc1 1802480159 BHRRBRBTBITVRU-SHTUXIEVSA-N 456.547 0.653 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1804346411 PKARSRXSSOPLCM-OGJPDPHKSA-N 452.471 0.398 30 20 JCED COc1ccc(CC(=O)N2CCC3(CCCN(C(=O)C[C@H]4NC(=O)NC4=O)C3)CC2)c(C#N)c1 1806848177 CBNNGDUYNOPXBI-LJQANCHMSA-N 467.526 0.939 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1828204170 SILUNTALXWRRBT-BZNIZROVSA-N 494.526 0.600 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)C)CCN2C(=O)OCc1ccccc1 1828854663 WWMNMXWHMAUOCM-SGAGCNABSA-N 497.596 0.859 30 20 JCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1828923220 XZUCIDOSPSPUFA-DVECYGJZSA-N 484.557 0.335 30 20 JCED O=C(CNCP(=O)(O)O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828971741 FHLCOMDNWZEGAW-IEDKYMRDSA-N 474.495 0.860 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828989514 XMUGICGMMLEHPE-NBGIEHNGSA-N 499.616 0.006 30 20 JCED CC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)S)C2)C1 1829304311 SWNVBNOGRUWPRX-KSFYIVLOSA-N 462.572 0.893 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)cc1 1829632641 XEKCFWGJSWPIPU-QHCPKHFHSA-N 467.482 0.462 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1830352428 ISTJYVJKBUXQHU-CWMLTSOLSA-N 493.626 0.577 30 20 JCED CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1830756660 JSQBPBOKZNAEQC-CGMRMJDQSA-N 452.552 0.456 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1831391490 CGHYVFMIPFVDMJ-JPYJTQIMSA-N 453.499 0.376 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1831435768 YRJAJHBQTKOWOO-YUZACMFVSA-N 461.515 0.804 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831608076 BJUUDDSLUKYWOM-NXMSCROESA-N 496.605 0.814 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1831758737 OAPMGNDJSLQAAQ-OPAMFIHVSA-N 463.535 0.949 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1831997807 GMESORUWMZQHIP-NTKDMRAZSA-N 496.605 0.244 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc4sccc4c3=O)CCO2)C1 1832891449 MDUYKDJDEPYBBG-GAJHUEQPSA-N 473.551 0.558 30 20 JCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833024092 BPCDOYVMVSYQIU-BXKMTCNYSA-N 490.557 0.432 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCc1ccncc1)CCO2 1833053765 HPWLOFUGFHHZSV-WNWNSBFKSA-N 456.543 0.719 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn(-c3cccc(F)c3)n1)CCO2 1833352023 KNSFJCNSSDHNNJ-POUSAUBHSA-N 498.515 0.335 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(OCC(F)(F)F)n1)CCO2 1833428411 OGCRURVMEFIPSQ-IBGZPJMESA-N 471.388 0.181 30 20 JCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1833565269 CQWRZDVAMQFFLZ-HSZRJFAPSA-N 477.583 0.890 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 1833771971 MJORYXBZGGHCMJ-OAQYLSRUSA-N 471.602 0.956 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833830185 ZLAJEOZWKANUTD-QMHKHESXSA-N 491.545 0.722 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(CC)n3)CCO2)C1 1834411461 SCQJAPQBOUFEQM-KOSHJBKYSA-N 489.573 0.890 30 20 JCED COCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1834974589 HYUKGIFOOZHEJE-QHCPKHFHSA-N 480.562 0.630 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1835675106 VDPCMBWXGWRCRA-QHCPKHFHSA-N 454.531 0.915 30 20 JCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682204 BRBLWBLMWUGBQO-KHCICDEESA-N 476.574 0.480 30 20 JCED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1835752575 OUTKUBPCROPVCN-LJQANCHMSA-N 458.603 0.783 30 20 JCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c1 1836258692 MMYSATNJYFDAQI-IBGZPJMESA-N 452.515 0.342 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836350711 NMSAVAHQTVHFIN-UZUQRXQVSA-N 490.561 0.572 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836992227 GGDMPVRFPSKVJO-HJPURHCSSA-N 474.514 0.888 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)CN5C(=O)CNC5=O)CC4)CC3)c2c1 1837046964 BIEBBSAFRHMDSI-UHFFFAOYSA-N 493.524 0.599 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1837399630 YFZCHEHIYHVDNV-OPAMFIHVSA-N 469.485 0.887 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1837441138 UMMQQNGWWFXSAG-NPGLCPDYSA-N 450.580 0.713 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)N1CSCSC1 1837444300 WXMIZKKJKUDZRI-DTXYYNOZSA-N 485.676 0.958 30 20 JCED COC(=O)CSCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486919 UCBAUHCLHTWXMA-JOCHJYFZSA-N 468.572 0.048 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn2[nH]cnc(=O)c12 1837564467 QHWBURKGCIXSHQ-FUWLSKDBSA-N 482.497 0.113 30 20 JCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1C 1838275595 FHEPAMIGJDEICQ-XMMPIXPASA-N 458.559 0.751 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(OC)nn4)C3)C2)c1 1838582354 LDUDIHINQQNCAF-QHCPKHFHSA-N 467.482 0.749 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595884 IHTYNZOUWPWDOE-IERDGZPVSA-N 463.922 0.729 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1838653293 JBSGINOSBWBVFP-GOSISDBHSA-N 456.584 0.073 30 20 JCED CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2)C(=O)c1ccccc1 1838733037 LJSTZUFFCYMOFF-XMMPIXPASA-N 465.510 0.729 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838798654 CABVSVSZVZHRBM-SBUREZEXSA-N 494.545 0.706 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1839174679 RKDBOEGHAXZBHB-QHCPKHFHSA-N 483.562 0.819 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839210190 HIJPSNFYDQOTRM-GAJHUEQPSA-N 491.545 0.232 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2)NC(=O)OC(C)(C)C 1839239517 YMFQOTRLWDRNBF-JPYJTQIMSA-N 492.577 0.594 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)c1 1839419839 XMLHBAILXQWWMV-HSZRJFAPSA-N 467.457 0.575 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)CCO2)C1 1840006959 ZSHRMSGDTSLPLM-RRQZXNHTSA-N 491.585 0.738 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)CCO2)C1 1840008596 MRKBYRFZUMPFMF-QRQCRPRQSA-N 498.602 0.527 30 20 JCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1840059836 RNNIPHSWWLFZIC-JLHGSKIFSA-N 453.536 0.389 30 20 JCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1840179419 MIGMPRIDKZTVBC-YRPZLXNTSA-N 480.539 0.559 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840362968 ISJYJJOEGVVVLD-CDMLJFNGSA-N 475.546 0.500 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)on3)CCO2)C1 1840370259 PSKXRWJCIAQJGS-YADARESESA-N 490.557 0.899 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1840909574 WQPWHHDARGECHQ-WZONZLPQSA-N 475.546 0.325 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(C)(C)O 1840916650 WFCQHBPHBQPIBX-MWTRTKDXSA-N 480.562 0.411 30 20 JCED CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1840956350 PYKMPIGCXOBLKW-HSZRJFAPSA-N 493.605 0.782 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2 1841052931 FNEYPPYCSZGKBC-FPLPWBNLSA-N 464.563 0.980 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 608828794 LKAQVKBWMNNWLC-UHFFFAOYSA-N 474.589 0.225 30 20 JCED N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)nc1 609005530 OBCWLMRTGXRMLV-UHFFFAOYSA-N 498.565 0.698 30 20 JCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 609150452 MCDMWCRQCPWURJ-UHFFFAOYSA-N 471.543 0.768 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1cnn(CC)c1 726180309 GJGTXQIOKUHYMD-UHFFFAOYSA-N 483.598 0.512 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1 727767060 NDIRRIVQQFLYIB-GOSISDBHSA-N 461.525 0.121 30 20 JCED NC(=O)CCNC(=O)c1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 728548210 AIYDFSYPMYEUBV-UHFFFAOYSA-N 457.512 0.749 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccccc2)CC1 747801595 XFYIODQXEJGJDP-UHFFFAOYSA-N 470.507 0.364 30 20 JCED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 913242986 NVBRPRLTZZXWHB-HNNXBMFYSA-N 473.507 0.898 30 20 JCED C=CCn1c(-c2ccco2)nn(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1=S 921045318 LFWWWLGQPHVSIG-OAHLLOKOSA-N 487.629 0.952 30 20 JCED CCCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1294876006 LDXVFBGKOLQBRG-HNNXBMFYSA-N 492.581 0.752 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N2CCOCC2)nc1 1360672834 YQQJMHOGWHNDBT-MRXNPFEDSA-N 474.591 0.908 30 20 JCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1446339027 SKLGMSOAKNHHEL-GDBMZVCRSA-N 456.590 0.680 30 20 JCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1464040685 XHSSERUWRBDBHD-KRWDZBQOSA-N 452.533 0.931 30 20 JCED COCc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)ccc1F 1504635894 UKHRGPSRDSBGOM-CJNGLKHVSA-N 452.512 0.951 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(C(=O)N(C)C)c1 1541946579 XWWUKASKZLIHTE-YJBOKZPZSA-N 475.575 0.562 30 20 JCED CCN1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1615895067 PVVNMKAJXHZCSR-NQIIRXRSSA-N 498.629 0.081 30 20 JCED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1659460310 LTXFGOGBQRLFJH-HUUCEWRRSA-N 458.562 0.227 30 20 JCED CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1729717791 KCEKKUVCCOABPS-CQSZACIVSA-N 478.554 0.362 30 20 JCED CNS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1748292432 LUFNVOFAOHVADW-CYBMUJFWSA-N 485.364 0.994 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccnc(C)n2)CC1 1749269275 OUOSJTAWLWGECU-MRXNPFEDSA-N 482.998 0.789 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(=O)n5[nH]nnc5n4)CCO3)C2)c1Cl 1780191566 FPFHYWHNCCHGOR-FQEVSTJZSA-N 468.861 0.095 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1781166436 PAYZJLNFLSYMPY-IUKKYPGJSA-N 489.577 0.761 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1781390555 JWQORSRUZATJCZ-YWZLYKJASA-N 452.533 0.730 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1781400943 RVNRPNPSZSSAJD-GSHUGGBRSA-N 469.583 0.859 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)CCO2 1783897497 LSVBXPCGFWQSLT-JPHBTFASSA-N 477.583 0.907 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2 1785378800 QPSHOTNQMYAICI-JOCHJYFZSA-N 485.522 0.232 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1785379093 JALQKFLPMZICGK-XMMPIXPASA-N 478.509 0.411 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1785380051 BGNDSPZTWCVHDL-OAQYLSRUSA-N 474.564 0.627 30 20 JCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCO2 1785427902 ZNYPAUHWFSPZGX-VGSWGCGISA-N 485.603 0.558 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4CCOCC4)cn3)[C@H]2C1 1785721298 KOMNRODRBRGNNQ-RVRCOVJFSA-N 483.569 0.370 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1788570261 PIPXVPDKDWSTKY-KFGODFMUSA-N 469.579 0.425 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1788572858 OVYCQEIYAUUMMH-QOTRURMSSA-N 452.577 0.342 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1789839473 YXGOBHUGZDRFNU-CXQPBAHBSA-N 478.590 0.797 30 20 JCED O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1792238967 DKHSLPOESGZNEU-UVWQYKLCSA-N 484.600 0.355 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792238996 GEZDFXYIKOXZCU-AJNGGQMLSA-N 455.602 0.400 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1c(=O)n(C)c3ccccc31)C2 1792564499 QBCUYESLPQACDV-WZHAIUFBSA-N 451.527 0.837 30 20 JCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)nc4cccnn24)C3)c1 1792833469 VGOZZBDJRYRYQH-NHKMSHSESA-N 472.505 0.797 30 20 JCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1793348900 PNXOWTCGZUQVSR-IHSNIMORSA-N 460.531 0.565 30 20 JCED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cccnc2)c1 1793959102 ZIENWDGFYZMIJC-UPHUGPLXSA-N 451.458 0.726 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794213856 UAGCXOXOROCYSV-JKJDWNRSSA-N 461.519 0.139 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCC 1795213211 GMBCHUYCQJMJLY-ZMMAXQRCSA-N 498.577 0.418 30 20 JCED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)c1 1795929808 HRDDBXYTZFPSMU-IVWMJMPLSA-N 473.486 0.366 30 20 JCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1796443548 OKUCRZRKJOLJDU-BPNQKZMOSA-N 456.480 0.879 30 20 JCED COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)cc1 1797743593 DYGUTRFCUGCEOI-QIBIHATKSA-N 472.542 0.913 30 20 JCED COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)cn1 1797782804 VUSLGCDIXGWZGJ-RMFSNUHRSA-N 455.511 0.770 30 20 JCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1797840145 CLNCZFMNYJEVEQ-SIECIHOSSA-N 450.542 0.148 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C(C)=O)CC1 1797934701 MJUXLGPEMDAOOU-WOZUAGRISA-N 489.617 0.705 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1ccnn1 1801395052 MYWPPZLFOAMPIG-RCLSDMTESA-N 488.589 0.955 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(O)cn1 1801464469 AGTBJHVXBPABHP-NNNWTRQLSA-N 472.542 0.836 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@@H](C)C#N)c1 1801766379 RMPQIODSSCROLJ-DJLVLGKWSA-N 462.572 0.845 30 20 JCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1802188887 YZTBSGHXLDRAOZ-BBIADKPPSA-N 490.601 0.849 30 20 JCED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1804346312 MRIFMGIJLVUOBL-PYDPQLKOSA-N 472.502 0.215 30 20 JCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807945481 ZMQJLQSVJQDINY-QIIPPGSGSA-N 452.475 0.118 30 20 JCED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)c1 1811408910 BGIAGJXWHCKWIQ-RDPSFJRHSA-N 481.553 0.568 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814770778 ZZKJWTOAOYTYIT-NSHDSACASA-N 460.449 0.289 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cocn1)CCN2C(=O)OCc1ccccc1 1828754171 ACFLDKPCCXEWIO-HSZRJFAPSA-N 466.450 0.828 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1828884278 PVFXNTOAIFVMDJ-DLBZAZTESA-N 457.535 0.619 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)/C=C\C(=O)NCC=C)C2)C1 1829260682 BCJIAVMYSRCUSV-BOWHEOPPSA-N 464.522 0.930 30 20 JCED CC(C)[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330660 NMMGKBCDCOJACB-URXFXBBRSA-N 471.510 0.543 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1829691041 GFGBZCPNPJDVKG-GLDPYIMESA-N 479.574 0.474 30 20 JCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1)C(C)(C)C 1831095145 HPSQOGNQTGLETR-RADWXHQJSA-N 454.568 0.795 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1831218402 RQVVUGOQIFVUOW-JOCHJYFZSA-N 457.439 0.807 30 20 JCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831219098 RPYHENSUIBUEKP-FDDCHVKYSA-N 465.547 0.132 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831965968 PPYNNOZGVHMUBL-AXDLBROPSA-N 451.474 0.902 30 20 JCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1832003778 AVUZBPLPGKQFRJ-SAHWJRBASA-N 482.578 0.921 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)c(O)n1 1832371107 ZCRRZNZSTLBCRL-XMMPIXPASA-N 485.541 0.584 30 20 JCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1832452962 MCXMXPMNUJULDS-ZUEVXXBESA-N 456.590 0.164 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832498218 VVTCAAYFFBOWIY-GJZUVCINSA-N 484.549 0.981 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)cc1 1832799646 AGPHJNVTZSYXGX-QFIPXVFZSA-N 468.470 0.628 30 20 JCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c(F)c1 1833631912 HGMIWUNMCGNPAY-WUKOTQDVSA-N 463.510 0.771 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncn(C)n2)CCO3)c(C#N)c1 1833883583 XXMQTVINCSHJAP-JOCHJYFZSA-N 454.487 0.008 30 20 JCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CCNC(=O)c3ccc[nH]3)CC2)CC1 1834715401 BJWYAWMPQHHKED-UHFFFAOYSA-N 485.633 0.988 30 20 JCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(I)ccnc3F)C2)C1 1834761270 ZRIWKOUFBRQNLY-KRWDZBQOSA-N 488.257 0.809 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CS(=O)(=O)c3ccc(C)cc3)CCO2)C1 1835185651 PBBMUWQDBJYAQG-YKSBVNFPSA-N 494.610 0.798 30 20 JCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nnc(Br)n4c3)C2)C1 1835354057 LOCLYSMHCXYOFX-LJQANCHMSA-N 477.319 0.866 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)CN)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1835533087 LKQYMUQQCDOPCU-BSRJHKFKSA-N 466.579 0.603 30 20 JCED Cc1nn(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1F 1835672554 DRLLNUJBLFWPQN-OAQYLSRUSA-N 450.515 0.220 30 20 JCED N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccccn1 1835700838 AVXUDUPDTJTGCK-XUZZJYLKSA-N 456.543 0.236 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CCNC(=S)NC)CC2)CC1 1835739175 YRGKNLOJHFKUNX-GOSISDBHSA-N 453.653 0.615 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nnc(Br)n4c3)CCO2)C1 1836256484 OWAKIRGWDCZWOG-KZULUSFZSA-N 484.376 0.880 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccco3)no1)CCO2 1836412927 QURDGZCSRKDYDX-UZQCKINESA-N 470.482 0.863 30 20 JCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CN4CCS(=O)(=O)CC4)CC3)CC2)CCC1 1837079727 WFHGZVOGAGURBD-UHFFFAOYSA-N 466.604 0.409 30 20 JCED O=C1NC(=O)[C@H](CC(=O)N2CCC(OC3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)N1 1837115235 GCQGGESFPSEXAV-IBGZPJMESA-N 474.558 0.282 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1837396735 LLOVHQHRYYLMPM-CYFREDJKSA-N 471.558 0.989 30 20 JCED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n[nH]1 1837524186 BEWSNKSYPYOZJQ-KQKDOZOKSA-N 463.491 0.211 30 20 JCED CN1CCC(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837524729 GULFBZLAPUXLRU-HFUKASDHSA-N 466.579 0.704 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837530415 MLGVBUOZYWTMFV-PIVQEWKSSA-N 461.519 0.428 30 20 JCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1I)CCO2 1837963667 WJJVXKGHEZPMPF-MRXNPFEDSA-N 460.272 0.660 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCC(OC4CCN(C(=O)C#CC(=O)O)CC4)CC3)ccc21 1838231786 CNCGSTRZVIJVNK-UHFFFAOYSA-N 468.510 0.577 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1839173322 KCHQUMKVDQHQJS-RUZDIDTESA-N 487.553 0.724 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CCOCCOCCOCCOC)CCO3)C2)C1 1839219955 NWXHMSRNYUSNLC-DEOSSOPVSA-N 484.590 0.495 30 20 JCED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839655449 YVRYLNVSBDMXJZ-QFIPXVFZSA-N 459.572 0.307 30 20 JCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(F)(F)CN3C(=O)OC(C)(C)C)C2)C1 1839808590 VGKZHZBUNDOCRQ-MGPUTAFESA-N 457.474 0.721 30 20 JCED CC[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840043749 RRAZJDUOXLRZKS-ZHRRBRCNSA-N 467.519 0.224 30 20 JCED C[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1840111108 WTBLFVDVGURPBG-ZSDSOXJFSA-N 475.608 0.425 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC[C@H](C(=O)OC)C1)CCO2 1840147285 NZGLAFZJDNRJTK-JXQFQVJHSA-N 480.558 0.932 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1840164538 NDUMLAUWYDVKBZ-JXDYHWSESA-N 499.630 0.520 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1840168088 FZZBRYHFDPEMJW-DEOSSOPVSA-N 454.527 0.600 30 20 JCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1)c1ccc(O)cc1 1840551287 UBRPIGUVUUJBOY-RDPSFJRHSA-N 492.594 0.780 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)CCO2)C1 1840757167 QSDKAZQNTPIOEB-KSFYIVLOSA-N 461.471 0.712 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1840817057 FAUZIYUFLSMBLQ-XMMPIXPASA-N 493.605 0.593 30 20 JCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1cncn1 1840820787 JXVYJOBGCPJYDR-VGOFRKELSA-N 454.487 0.246 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(COC)CC3)C2)C1 1840906963 MZBXHFABBOWONX-UUOWRZLLSA-N 479.574 0.786 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840908407 AWZNDPSCQYEEGP-GAJHUEQPSA-N 460.531 0.663 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)c3ncn4c3CNS(=O)(=O)c3ccccc3-4)C2)c1 1844623640 OLZPAIMIJYADON-UHFFFAOYSA-N 491.533 0.995 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CS(C)(=O)=O 1847820786 FYSLMCWCTZDHBP-QAETUUGQSA-N 455.577 0.786 30 20 JCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 10912840 GZVHIWVLGLERKO-MRXNPFEDSA-N 496.567 0.811 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480220171 XDUBYSRMGOYTIJ-UHFFFAOYSA-N 455.536 0.913 30 20 JCED N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c1 502015681 IDCVVSDYEPNANL-HKUYNNGSSA-N 458.540 0.771 30 20 JCED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3F)c2=O)CC1 518723353 PVOFUVTYPIBLIM-UHFFFAOYSA-N 456.543 0.677 30 20 JCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 523090260 SZQMOTIWVPCBIV-UHFFFAOYSA-N 493.969 0.637 30 20 JCED NC(=NOCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(CN2CCOCC2)cc1 725792362 ITNWFQRUJFTAJR-UHFFFAOYSA-N 495.580 0.945 30 20 JCED CC[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726404017 QBPGQTAETMWNKA-VESDVMHGSA-N 483.616 0.573 30 20 JCED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 729256922 MUCNYAOKPOTZQG-UHFFFAOYSA-N 452.602 0.359 30 20 JCED COC(=O)CSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 729885411 WWCSZKIYQSTFNE-QNGOZBTKSA-N 456.546 0.460 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 746135764 UXDSRMUZGVWHPM-KRWDZBQOSA-N 483.568 0.338 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3nncn3C)C2)cc1 918438315 IWEUOSLBXVLRDC-VKEPEHDUSA-N 473.559 0.973 30 20 JCED COCc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1315857936 ZEYSMYKFFQEKDA-RBUKOAKNSA-N 476.559 0.534 30 20 JCED Cc1nc(CN2CCN(C(=O)[C@@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 1465378167 SBLNZGLKVUYRAE-QGZVFWFLSA-N 459.576 0.911 30 20 JCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1503810982 NVZRMSVNALMYCG-IBGZPJMESA-N 487.586 0.584 30 20 JCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539804261 UJAYESFTARHTGX-JKSUJKDBSA-N 459.016 0.969 30 20 JCED Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)c(Cl)c1 1586780734 OHTXVYSAEYKYOQ-AWEZNQCLSA-N 459.890 0.921 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1593886985 VHRHQTNPTMPKFI-OAHLLOKOSA-N 497.043 0.129 30 20 JCED CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1616644776 KYUHJCPHKUYULU-CQSZACIVSA-N 452.533 0.867 30 20 JCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690329204 USAASGBLIHOAIS-CHWSQXEVSA-N 455.006 0.406 30 20 JCED Cc1c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)cnn1C 1707028901 OGPGNFPQSMSVOK-XLIONFOSSA-N 462.580 0.831 30 20 JCED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1727658866 MUDQKOHWKLCJKM-QUCCMNQESA-N 481.557 0.938 30 20 JCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCCC2)CCO1 1750388849 TWQMBJQLOMVCEA-SJORKVTESA-N 450.565 0.702 30 20 JCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OC(F)F)c2)CCO1 1771537337 MGNDWFWOFHSSGZ-ZIAGYGMSSA-N 454.459 0.954 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778259024 USMBJMVPAHCTMY-YADARESESA-N 479.622 0.533 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1779985811 SVBAHYORPRINMK-GKVSMKOHSA-N 477.521 0.979 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1781393770 VKKMXDKJFPHLEC-HYFFOGBASA-N 470.567 0.893 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)CC)[C@H]2C1 1784372698 KGNZQQQMZMSSQE-BCYZHJNNSA-N 478.590 0.797 30 20 JCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C[C@@H]21 1784477784 MWRFYNWIFJUNRL-HVTWWXFQSA-N 479.574 0.640 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C[C@@H]21 1784486489 CSXBIIVHIAPQMF-BCYZHJNNSA-N 495.573 0.461 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)C2)C1 1785478074 MBTNIGRZFCHECE-WNWNSBFKSA-N 476.574 0.932 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786843703 IDHZUMKWBXDJSE-OKYOBFRVSA-N 492.621 0.666 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1 1789256116 MPPURWNQHZDJSO-QHERXFFYSA-N 478.571 0.488 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccc(F)cn4n3)[C@H]2C1 1790526539 LFIROIQSFYTDEP-QTIVQTDVSA-N 456.478 0.320 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791265322 DPDXBAMDDDTHCL-YTFOTSKYSA-N 458.581 0.053 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)c1 1791988873 MTEVQJFYLPKECB-KNTRFNDTSA-N 450.495 0.832 30 20 JCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1792222896 BICQMXJSKLVXIB-JKQORVJESA-N 452.508 0.336 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@@H]21 1792256753 JLPSBIWHGPOYNI-BMFAXAFESA-N 487.557 0.995 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1792450285 GGWMDNRMGZZFPF-VRJGGCKTSA-N 450.536 0.498 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)c1C(F)(F)F)C2 1792489471 YZOYQLNNAGUYAG-IEWDVVTQSA-N 455.437 0.501 30 20 JCED COc1ccc([C@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cc1 1792717026 FXSIQLJUVHHZFS-MMSIZDSOSA-N 461.515 0.847 30 20 JCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794403635 UPRPQTHEGYXGLD-LTCOOKNTSA-N 455.602 0.784 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C)c1C 1794894019 HBEVKILAHIYEHY-NBMJBFSESA-N 459.547 0.848 30 20 JCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1)c1ccccc1 1795729874 DHCKZZZJGTULEI-WEMPKCCASA-N 474.521 0.818 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1797713957 DZXPXDJAPGCRCO-INOFNZCTSA-N 481.590 0.833 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1797789225 BOSFWOUAUBODRM-WOUAJJJCSA-N 483.481 0.133 30 20 JCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C3)c(C#N)c1 1799239733 JTRWWVCLIVUXLP-QRICJDHISA-N 487.509 0.194 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1799321990 WNNSYLIAHBDMCZ-IIZPIQPGSA-N 493.649 0.683 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801036604 YACFQOFQGGHFPF-HLPPOEQASA-N 490.479 0.171 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cncn1)C2 1802125923 CIVWCMDMANKGEJ-JCECYMMASA-N 460.535 0.345 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1803565729 ZBXSXSKPYKUOOT-OGWOLHLISA-N 451.487 0.723 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1808295280 DZZFRQDYNNYDPI-YJBOKZPZSA-N 453.503 0.884 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809661846 VPWJXCKMCYMFRV-LANLRWRYSA-N 460.468 0.471 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]2c2cccnc2)c1 1812392316 LPDWLNAZOJKDBE-UTKZUKDTSA-N 479.493 0.824 30 20 JCED C=CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1812443351 JZJNAPCJWKFNTO-IIMDRIAPSA-N 471.583 0.844 30 20 JCED O=C(CN1C(=O)C=CC1=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1822529059 FPCYANQXQJFMBK-YIEDCZLXSA-N 458.475 0.856 30 20 JCED Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC3)c(=O)nc1O 1827994602 OXZBPMWJICXDJJ-LBPRGKRZSA-N 453.484 0.840 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1828284600 LXQJEQMQUZQKAG-YDHLFZDLSA-N 492.602 0.565 30 20 JCED CN[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCN2C(=O)OCc1ccccc1)C(=O)O 1828921095 MUCGOTCMRBKTKZ-DFBJGRDBSA-N 497.552 0.805 30 20 JCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CNC(=N)N)CCN3C(=O)OCc3ccccc3)C2)CC1 1828969972 ZONVNFMUZCZLJC-QHCPKHFHSA-N 467.530 0.225 30 20 JCED NCC(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCN2C(=O)OCc2ccccc2)C1 1829133713 PQDBRSPIQMTOEC-NHVVDLMHSA-N 470.574 0.869 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C=CCN3)C2)C1 1829332548 RPLRINABMIYQTB-YADARESESA-N 466.494 0.055 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncc(C)c3)C2)C1 1829764618 QJKIHIULJYLBJH-RULWIFSWSA-N 456.543 0.637 30 20 JCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1829860722 FDSZGCCXZXLAQU-JPYJTQIMSA-N 468.514 0.419 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)cc1 1829901501 FLGWBGDUWCUXIW-XMMPIXPASA-N 466.494 0.580 30 20 JCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)C1 1830708707 JORVHRCJMKDEMW-IXFSTUDKSA-N 464.563 0.314 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)CCO2)C1 1830885781 KYIJXXXZQXJMCZ-YZZKKUAISA-N 499.630 0.976 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2 1831175022 LXGRMGCSSYKTRC-YTZAWJCFSA-N 496.605 0.827 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1831330709 XWOXYWQZVJCBTQ-IXFSTUDKSA-N 492.598 0.711 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)C1 1831396306 DJKWMWIGBSDZRR-STSQHVNTSA-N 467.563 0.737 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1831396536 NRVJWMJENXDPHY-JPYJTQIMSA-N 453.499 0.376 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)C2)C1 1831401871 HWHZABZRMDVNEO-FJFBRFEOSA-N 491.585 0.879 30 20 JCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1831409040 IMFGFCIUWHQPBQ-HSZRJFAPSA-N 472.546 0.794 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1 1831998808 TZDKLVNDNDICMG-SBUREZEXSA-N 477.562 0.960 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832496968 KCFVPTZNEXWEKL-BXVSRXIOSA-N 489.525 0.812 30 20 JCED O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)CN1 1833123563 VPWBPCQXNFPBEU-GYBNKOMZSA-N 463.579 0.613 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCO3)c(C#N)c1 1833389508 MOSSPXRIYCEXEQ-VWLOTQADSA-N 495.536 0.580 30 20 JCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1833478357 SZFIOLMWCQTIOJ-QGZVFWFLSA-N 461.563 0.876 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncccn2)CCO3)c(C#N)c1 1834296147 RERYFGOHWCSLJB-HSZRJFAPSA-N 451.483 0.670 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCN(C)CC3)CC2)CC1 1834624556 HYYIOKOGGDPCFO-FQEVSTJZSA-N 464.655 0.996 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(F)cc1)CCO2 1834958498 CRHCWFNSXKPJLP-YLNCNTMDSA-N 461.490 0.519 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835352045 LJTKRMBCAWOWCJ-KKSFZXQISA-N 454.524 0.022 30 20 JCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1835354881 IZEIDVGLUHWNKR-JTSKRJEESA-N 460.556 0.857 30 20 JCED N=C(N)SCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1835502403 ATMKAIRRBAECAJ-FQEVSTJZSA-N 450.948 0.775 30 20 JCED CN(C)c1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835673219 YSZGXXVGROJOSV-HSZRJFAPSA-N 458.563 0.499 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1835677411 QMLBVCOPQIUHAR-QFIPXVFZSA-N 455.519 0.081 30 20 JCED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1836321707 CJXXWCAKJXCWBK-MGPUTAFESA-N 498.462 0.489 30 20 JCED COc1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc([N+](=O)[O-])c1OC 1836473990 PCXMXHRTUXGKRJ-UHFFFAOYSA-N 488.497 0.885 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1836844438 AULIKYKARDQCKB-QGZVFWFLSA-N 487.619 0.822 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cc(C)cnc34)CCO2)C1 1836947230 HLTVQBZHZDGMSB-MBSDFSHPSA-N 457.531 0.681 30 20 JCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)N1CSCSC1 1837444302 WXMIZKKJKUDZRI-UWDDZFTESA-N 485.676 0.958 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447808 UCSPVPSHCZMJOW-AQPAOHHBSA-N 469.542 0.865 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837483707 XQIHQLHPSVWAPL-HTAPYJJXSA-N 461.519 0.243 30 20 JCED Nc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)s1 1837526073 BLHWKIJKBCMKRZ-IUUPFMKJSA-N 453.521 0.324 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1837527286 KNCJSUMDLIDTHU-KDGIGMFRSA-N 450.467 0.820 30 20 JCED NC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1ccccc1 1837562728 OHSLBABCCFWIJA-VHWNGOAXSA-N 454.527 0.897 30 20 JCED O=C(O)c1cnncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1837943539 MHYRVCFFGWWTHW-QHCPKHFHSA-N 484.896 0.950 30 20 JCED CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838584985 QRBIBUHCRAEXOX-QFIPXVFZSA-N 475.571 0.121 30 20 JCED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187287 UAVBIXGKJIYCQK-QMHKHESXSA-N 460.506 0.563 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204379 BPVLDWCGIWLILP-VGSWGCGISA-N 487.619 0.638 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839518073 KJIDEKSZYGMGJD-DXLWNWQMSA-N 477.518 0.265 30 20 JCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1)C(F)(F)F 1839894666 KMQUTJGLJBRNEZ-MGPUTAFESA-N 470.448 0.775 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840166786 CSRLASBYTYFNQC-JOCHJYFZSA-N 463.556 0.500 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840194481 QCWRIOJPAGMMIW-OPAMFIHVSA-N 499.586 0.177 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251506 IDHXBOBAXYVRKE-SBUREZEXSA-N 477.514 0.096 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)N(C)C)C3)C2)c1 1840711856 KTBXVJNLTCGFCC-SBUREZEXSA-N 457.531 0.655 30 20 JCED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840798312 KGFQCDPHJVTEAJ-YWZLYKJASA-N 456.565 0.613 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C4CC(=O)C4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1840834872 LGADZWSHMSSDBJ-CYFREDJKSA-N 477.558 0.988 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCOC)C2)C1 1840906554 FGUGTGCKUNWQLA-JPYJTQIMSA-N 467.563 0.786 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1840906951 MUNQMEUYJQCNBX-YADARESESA-N 488.541 0.774 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1840907600 YYLBAWAEZVMIEA-KSFYIVLOSA-N 461.519 0.396 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1 1840913095 XMEQBBIWEQCRAM-URZJWIJPSA-N 453.536 0.559 30 20 JCED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1)NC(=O)OC(C)(C)C 1842882332 ZMJQGPGDGMZMBW-CVEARBPZSA-N 451.568 0.642 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cccn2)C1 1843090351 HVLJRSPQLHBHAM-QGZVFWFLSA-N 490.561 0.892 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(C)=O)CC2)C1 1843975244 SOCVGULQEKTTSB-KBMIEXCESA-N 489.617 0.823 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845014324 VOTKMQFYWISQCT-CQSZACIVSA-N 475.571 0.846 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1845188153 NCCMQUFKXRIBJE-UHFFFAOYSA-N 482.541 0.892 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1847814944 OWCFUOHDYQXLBH-BZSNNMDCSA-N 464.563 0.859 30 20 JCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 509579332 OZWKAVXGPUNLPS-UHFFFAOYSA-N 472.548 0.878 30 20 JCED C=CCNC(=O)CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(OC)cc2)C(C)C)CC1 512575292 XVHGCPWJNCKQMM-FQEVSTJZSA-N 452.577 0.445 30 20 JCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(C)s3)c2=O)cn1 523181933 MWEOWXHQDMEAAU-UHFFFAOYSA-N 455.565 0.847 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cnn(CC)c1 523865324 XHUMPHSPAUOLBF-UHFFFAOYSA-N 485.591 0.548 30 20 JCED Cc1ccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccn3)c2=O)cc1 603792057 IOLWFAOEAWDKNK-UHFFFAOYSA-N 475.574 0.554 30 20 JCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCC)c(OC)c2)c1=O 603792842 GSCKQVJFKJKPFV-UHFFFAOYSA-N 455.536 0.865 30 20 JCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2Br)c1=O 604269911 IQSNVLMKMBMYCK-UHFFFAOYSA-N 489.395 0.886 30 20 JCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 609075004 ZXSGHVZNIUKZGH-UHFFFAOYSA-N 467.469 0.725 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)C1=O 726043480 UZORAFXSELYOCD-MRXNPFEDSA-N 459.455 0.887 30 20 JCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)c1 729671126 IDXMNVXTTYGFKS-UHFFFAOYSA-N 475.592 0.525 30 20 JCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@H](C)N1CCOCC1 729885343 ZUIRIRPVVSPLRN-IWAOJGAVSA-N 465.576 0.663 30 20 JCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 771807644 LBPSBTLRQWGJPZ-YOEHRIQHSA-N 476.349 0.686 30 20 JCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1F 914658887 NWPDSGSLHMVPLQ-UHFFFAOYSA-N 471.488 0.733 30 20 JCED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 916889066 AUZBSFJSMNNEGN-GOSISDBHSA-N 456.480 0.777 30 20 JCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)CC1 918754663 AOWOKKGNXFSOIA-UHFFFAOYSA-N 491.595 0.690 30 20 JCED CCNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 919412101 JAVPVQFEOBXVDA-UHFFFAOYSA-N 479.490 0.798 30 20 JCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)cc1 1140242167 JBBVNCCFMYCLJO-IRXDYDNUSA-N 450.517 0.733 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1301044973 OUTFYHHDWJDOAR-HOTGVXAUSA-N 460.988 0.668 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1nncn1C 1301045463 UPFIASKKDZYMMH-ZIAGYGMSSA-N 456.960 0.834 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCCCCC2=O)C1 1302480116 QMWNLWFVWJCBKJ-UWJYYQICSA-N 497.597 0.846 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1315065027 MPUBPQACTBGNNH-INIZCTEOSA-N 486.602 0.155 30 20 JCED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1505321808 XJUKYANJJSCMEE-GOSISDBHSA-N 458.544 0.858 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1517630684 XUANPUOPGCUWHY-KBPBESRZSA-N 454.578 0.624 30 20 JCED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1518265619 RMPIMTVCAOASCV-CZUORRHYSA-N 450.521 0.683 30 20 JCED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1596282993 VHDSMOAQJQUALW-UHFFFAOYSA-N 457.560 0.216 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(C)(=O)=O 1617908233 NSYDWMYJJVCMDE-MRXNPFEDSA-N 452.562 0.237 30 20 JCED COC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1618887534 DPFMVAFMEWGXGJ-YJBOKZPZSA-N 494.622 0.543 30 20 JCED Cc1nn(C)c(N2CCN(c3nnc(Cc4cccnc4)n3CC(=O)NCC(F)F)CC2)c1C#N 1742669376 MPBZGQRWKFCRQY-UHFFFAOYSA-N 484.515 0.885 30 20 JCED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(=O)(=O)c2ccccc2)C1 1750378749 LXIXAQOTGVCHFF-BEFAXECRSA-N 482.563 0.601 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1767221294 JRAJDFFJQVGHON-UHFFFAOYSA-N 497.600 0.918 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1)NC(=O)OC(C)(C)C 1778268203 VSBVGKBGZBDXMR-CPJSRVTESA-N 493.649 0.923 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1779284115 HQQVNIUNXTYFNE-MFEFFIJZSA-N 464.563 0.976 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1779340101 UKSOQWPZWISFRM-YZZKKUAISA-N 476.530 0.844 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=C3c4ccccc4C(=O)N3CC2)C1 1780013809 DGEUABPZPYQCCJ-KBMIEXCESA-N 463.490 0.859 30 20 JCED Cc1c(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn2[nH]cnc(=O)c12 1780019826 OHTRLWFBVYGSFL-JOCHJYFZSA-N 455.519 0.056 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780940122 WBMCMWVCGBEZTO-XMMPIXPASA-N 495.561 0.672 30 20 JCED CN(CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c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c3ccccc3)[C@H]2C1 1784344786 AEGLGVHHOKQVCS-AUYWWFPISA-N 468.554 0.597 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C(=O)OC)nc3)[C@H]2C1 1787607493 NDJBSCPHJGYSSA-LNLFQRSKSA-N 459.499 0.971 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nnc4cc(C)nn4c3C)[C@H]2C1 1787910474 FBRJTIRGUGIZAF-XLAORIBOSA-N 456.547 0.908 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3c(=O)n(C)c4ccccc43)[C@H]2C1 1788139932 FILJUSGPABRGMN-WFXMLNOXSA-N 484.553 0.829 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C[C@@H]21 1791072384 HBLLUCCGHRPWST-YEWWUXTCSA-N 475.885 0.133 30 20 JCED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21)NC(=O)OC(C)(C)C 1792110250 NZGBLVKAPCZEJS-OYSTVDSJSA-N 466.579 0.960 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1792259057 VPIQPVAHBRCWIE-HAGHYFMRSA-N 490.601 0.895 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)c3ccccc3OC)C1)C2 1792484785 QMYCQWXIQMBDBN-KALPFLKPSA-N 496.564 0.215 30 20 JCED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793089265 LDDAJMSUSOGLNK-FONMZJLOSA-N 491.589 0.626 30 20 JCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN(c3cc(NC4CC4)ncn3)C1)C2 1793344579 DJABIPNYTYBPIR-JPNCOXSSSA-N 496.612 0.895 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)OC)C2 1793594847 GNASHQLKMKYXHA-RCJHGTSTSA-N 453.536 0.999 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1OC 1794584071 YUMKDEPXBOWLQJ-MVJTYMMSSA-N 475.546 0.549 30 20 JCED CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1795185275 QBOULRJPOZQPKT-IZZQQSIFSA-N 463.579 0.678 30 20 JCED CCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797710123 HQLUZVLPKHVMGX-RCJHGTSTSA-N 483.587 0.701 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797968167 MBTGHUJUZYRYNE-USYVTKNRSA-N 496.605 0.587 30 20 JCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cn3c(nc2=O)SCC3)c1 1799074985 REPURYVHSXNCIY-CEQLMSFQSA-N 479.562 0.975 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(OC)OC)C2 1799231802 OUMZXTTTYWVOTO-MHORFTMASA-N 467.563 0.892 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1799320330 DXUYSRZIZNYQPE-QLCXLMDBSA-N 466.579 0.947 30 20 JCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1Br 1799516941 DKUOMVBFOIZDLR-YQYWCBKUSA-N 466.244 0.649 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)OCC(F)(F)C1 1799923766 GYGSYUJDDWALQE-FZKCQIBNSA-N 485.484 0.984 30 20 JCED O=C1Cc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)c2N1 1800030214 MWMNFBMCTGJIOQ-IXLLBFHCSA-N 456.499 0.913 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc[n+]([O-])c1)C2 1802124968 LNZXDTZEGFXQKK-FCGDIQPGSA-N 458.515 0.440 30 20 JCED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2c2cccnc2)c1 1807358195 YJEREWPJKLWOMD-KXBFYZLASA-N 457.454 0.646 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)CN)sc2C1 1814794961 LGLVRINPJWLWLC-JSGCOSHPSA-N 496.590 0.819 30 20 JCED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]n1 1815213220 RNURQJYIKHYNKV-ZBFHGGJFSA-N 498.544 0.440 30 20 JCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1823531558 GCFOAJRJPJIDGS-KBPBESRZSA-N 476.490 0.259 30 20 JCED C[C@H](CN)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828954094 KUVDVXIHMVFCTP-HXOBKFHXSA-N 456.499 0.121 30 20 JCED COC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829330262 FARFQPJTYNAWOV-HOYKHHGWSA-N 471.510 0.809 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(N4CCCC4)ccn3)C2)C1 1829766440 ZDNJPYVCPKLOEC-UOUGDEPUSA-N 483.569 0.610 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ccc(OC)nc34)C2)C1 1829768978 LUJKRIPZVNFHKY-ZKWSMMDQSA-N 483.525 0.500 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063066 HYOPGTKLRIDDNM-SBUREZEXSA-N 462.547 0.909 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1ccc(Cl)cc1)CCO2 1830682150 GWWJOBKBXZHIAE-YLNCNTMDSA-N 475.929 0.838 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1831387978 USONLYFSNVOWCH-IECBHUPTSA-N 461.559 0.272 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(CNC(=O)OC(C)(C)C)CC3)C2)C1 1831388471 UFIPQQSWSRJHPE-UUOWRZLLSA-N 479.574 0.786 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc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c4sccc4C3)CCO2)C1 1832584822 TVYVFJLVDDIDDS-XMMPIXPASA-N 489.642 0.844 30 20 JCED Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)s1 1833018799 ICYUKQIWRXQXSF-OAQYLSRUSA-N 464.592 0.517 30 20 JCED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cc1O 1833412086 ZOHZQDSPIUATPC-JOCHJYFZSA-N 455.471 0.146 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1835101469 BPRMJZSFVMCIRM-VVZHRXSXSA-N 465.550 0.896 30 20 JCED CC(C)N1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CC1 1835675332 NSWLBMVHPAWEBU-XMMPIXPASA-N 463.623 0.845 30 20 JCED CC(=O)NCCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835768305 XTRVQJNNTJAKEO-OLCUMFGGSA-N 451.568 0.613 30 20 JCED CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)CC1 1836666670 UQFAGRXWAYBNIW-RUZDIDTESA-N 469.586 0.195 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)NC(=O)OCC)CCO3)c(O)n1 1837204496 XSTHDPSBCURDJG-CVDCTZTESA-N 492.529 0.040 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1837390543 ATSHGVJJKRLXOO-GBXCKJPGSA-N 462.543 0.973 30 20 JCED C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(F)(F)F 1837486965 VGJAVHYXCCNCFT-QUCCMNQESA-N 462.465 0.455 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1837524462 HZGSHXUPWVHCLC-KDGIGMFRSA-N 450.467 0.820 30 20 JCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4C(=O)C=CC4=O)C3)C2)c1Cl 1838595570 WHLFNFRAUBAHNT-QHCPKHFHSA-N 486.912 0.597 30 20 JCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838735957 BZKRAOYSUAIFPT-QFIPXVFZSA-N 453.455 0.452 30 20 JCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)CCO2 1839043714 OYGLWAKPQRGSDU-DEOSSOPVSA-N 482.537 0.451 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)[C@H]4SC(=N)NC4=O)C3)C2)c1 1839452362 YAJDWQJEOWFXHZ-YLEKAMJDSA-N 485.566 0.739 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cnn1C 1839487641 QFFRSRFNBOMXSK-HSZRJFAPSA-N 463.498 0.860 30 20 JCED O=C1Cc2cccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)c2N1 1839573670 VGLSHXCPMMEOJX-CAOKLGHASA-N 486.525 0.780 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839621210 IPYKNVFFCZHMRW-KNQAVFIVSA-N 465.620 0.743 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1839785272 MCLDAUDALPVDFJ-LLBVYWAGSA-N 475.567 0.961 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(OC(F)F)cc3Cl)C2)C1 1840041144 UIGIPOOMWTWSCO-LJQANCHMSA-N 473.816 0.494 30 20 JCED COc1ccc(C(=O)CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840041555 UDINRADNOSHUQS-HSZRJFAPSA-N 458.467 0.203 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1840045258 ZNBRGIXAYBFAJB-SBUREZEXSA-N 479.530 0.390 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)[C@H]2OCC[C@H]21 1840076023 OFXKXDGYIBPPHS-YLHGCELOSA-N 492.573 0.771 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1)CCO2 1840147282 NZGLAFZJDNRJTK-GLDPYIMESA-N 480.558 0.932 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)CCO2)C1 1840289892 QBMRSQAIDOTDID-YTZAWJCFSA-N 493.557 0.407 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1840844570 CIUITJNQCCSIBQ-SBUREZEXSA-N 463.531 0.782 30 20 JCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840901312 DUHDGRQNIOXZNZ-YUGCKCMBSA-N 485.585 0.733 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(C)C)C2)C1 1840906693 HFMSCBZDUJJHOO-WZONZLPQSA-N 467.563 0.784 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1840913819 QIGALMMUVWEMBJ-SZVZZVCJSA-N 493.557 0.943 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1840915659 RXTFFEJFSQCFPX-HKARXFIJSA-N 482.578 0.424 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnnn1C 1848281034 XYSLEOYNJAHBQU-PMPSAXMXSA-N 491.549 0.436 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCn2nc(O)c3ccccc3c2=O)CC1 22975178 AYZPSUKBHVYZOM-UHFFFAOYSA-N 467.507 0.897 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 25962671 JUKMOYIRTHCBGK-UHFFFAOYSA-N 494.913 0.820 30 20 JCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CCOC)[C@@H]3CCS(=O)(=O)C3)nnc12 503617746 YPYXMXOYTWAWJH-OAHLLOKOSA-N 491.595 0.984 30 20 JCED C=CCN(C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H](C)c1cccc(-n2cnnn2)c1 520198923 KZVWZRUJWXATPY-CQSZACIVSA-N 489.496 0.322 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCc1ccccn1 523862190 SXTQKKQBYOOGPL-UHFFFAOYSA-N 469.592 0.968 30 20 JCED Cc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccn3)c2=O)c1 603789857 ZEDGJLKPWMKTIU-UHFFFAOYSA-N 475.574 0.554 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(OCC)cc2)c1=O 603793583 ZOBIENOOPJPMLV-UHFFFAOYSA-N 468.579 0.446 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O 608911383 CXVDBJXZGMQIAL-UHFFFAOYSA-N 450.442 0.539 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C1=O 623212434 DIEIULNTAQRQOF-UHFFFAOYSA-N 499.343 0.259 30 20 JCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577061 HLDRDJDELKZLLI-AWEZNQCLSA-N 485.591 0.457 30 20 JCED CN(C)C(=O)Cn1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 750396337 WDVDGLRJWLFUAJ-QGZVFWFLSA-N 487.542 0.502 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)NC(C)C)CC1 819936828 MFTWPWGBNYMGQM-SFHVURJKSA-N 463.604 0.953 30 20 JCED C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)c2ccco2)CC1 821708265 GBILFBOPFUBOQE-CQSZACIVSA-N 474.495 0.234 30 20 JCED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 837540688 YXFMLMHROBEMAN-UHFFFAOYSA-N 492.605 0.457 30 20 JCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NC(=O)NCC(F)(F)F 900265828 OQJQBZSFZXOMKP-SNVBAGLBSA-N 450.395 0.812 30 20 JCED CN(CC(=O)[C@@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)S(=O)(=O)c1cccnc1 917505302 LRZDSCWKOZDHGE-LJQANCHMSA-N 481.538 0.996 30 20 JCED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 1303459049 PYWXKDIPMNWWRY-UHFFFAOYSA-N 452.563 0.988 30 20 JCED C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)N(C)C 1508424862 OIZSYYVBJQGURY-MRXNPFEDSA-N 461.596 0.939 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1509958125 YLJXIZQFASGLMK-GJZGRUSLSA-N 455.585 0.512 30 20 JCED CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)CC1 1547475392 QQVIKWKUZYQEJI-UHFFFAOYSA-N 452.563 0.943 30 20 JCED N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2=O)cc1Cl 1565963799 ZQPZAWBJSWPSCF-IAGOWNOFSA-N 459.934 0.614 30 20 JCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 1677310085 MUNYPVWIQBBOOA-HNNXBMFYSA-N 459.450 0.737 30 20 JCED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1694793509 MRSWXKGVSJWSKQ-QGZVFWFLSA-N 461.548 0.335 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1706748109 SURMSVVOBKISPP-DZGCQCFKSA-N 456.960 0.899 30 20 JCED Cc1nccn1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1751809195 ZIHPNOVWZFGAII-WBVHZDCISA-N 450.569 0.802 30 20 JCED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1767828298 UMCKQBMTPGUPNE-GOSISDBHSA-N 472.575 0.702 30 20 JCED CS(=O)(=O)NCCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1771368570 QHIDJPYHTWJKEH-UHFFFAOYSA-N 467.559 0.406 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777715944 CDJDPIUZYZEZBO-DRSNIGMVSA-N 480.587 0.539 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1778088715 XSBRPMHWHPEVHN-OSAWLIQMSA-N 457.593 0.753 30 20 JCED CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778139671 PJQLVLCLBMMJKO-XOBRGWDASA-N 471.457 0.549 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778711905 FSBVUOQLBMFQMS-HSZRJFAPSA-N 455.467 0.774 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2)C1 1778968771 VOVAGIGFIMEWSX-SAHWJRBASA-N 469.579 0.665 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063964 VXPYGHOFEWAQAC-UUOWRZLLSA-N 479.574 0.401 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779311630 WSLUGDJAOGNOHG-BSRJHKFKSA-N 482.578 0.437 30 20 JCED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)N2CCOCC2)C3)cc1 1781011558 QKPJFZJAJKNHRQ-KIFXHHALSA-N 456.543 0.531 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccnc3C)C2)C1 1782781443 VNZOKFAGQOBTLK-FDDCHVKYSA-N 459.547 0.938 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786839 HSWVPGKGNSSOOU-RRPYSREYSA-N 477.474 0.115 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1782935313 JZQMHTBRHZYZDF-ZDPRRSKRSA-N 498.552 0.980 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1783268570 LOKARLRNKBKZMB-NDBKNAECSA-N 476.574 0.696 30 20 JCED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1)c1ccc(O)cc1 1784581486 MWRIUFKKYJVMCZ-DIZVHYTASA-N 455.511 0.977 30 20 JCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787494492 LWJYVBIOQLSUSB-QSUVVDIXSA-N 476.599 0.467 30 20 JCED O=C(Cc1ccc2ncnn2c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1789716272 OTACOATUQYYODD-QUMSWINWSA-N 470.530 0.781 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 1789890120 FBJJIVUTIZXQSB-ULQDDVLXSA-N 463.556 0.967 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789934620 YMKRLCIZVLIOMW-VMXHOPILSA-N 483.606 0.815 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1)NC(=O)OC(C)(C)C 1790862129 UJSZBBMEONFHFJ-JKEDJMADSA-N 478.590 0.962 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]3C2)c(Cl)c1 1790911018 OHCFXXZERRWVNG-QRFRQXIXSA-N 464.950 0.092 30 20 JCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Br)ncc3F)C[C@@H]21 1791075701 OPERMQPPQMJEFZ-JKOKRWQUSA-N 454.252 0.665 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)CC)c(O)n1 1793314406 PFHRISVBMHWETP-CCWDJLKJSA-N 451.545 0.544 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)ncn2)N(C(=O)OC(C)(C)C)C1 1793495261 GGEXORAYJKMBQZ-HIRMHNASSA-N 473.530 0.951 30 20 JCED CN(C)CC[C@](Cc1ccccc1)(C(=O)O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083778 RBNXLEXQLZEEEC-RRZZWSPOSA-N 456.543 0.755 30 20 JCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(C)(=O)=O)cc1 1795416087 QSJJDLRISGLHKE-OPMZPASUSA-N 478.567 0.732 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(OC)ccc1[N+](=O)[O-] 1796717728 GSKVEXAOORSHLL-OUHLQUODSA-N 459.459 0.060 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCC2 1797515277 DBHYEAFZBOLFMW-YNVMFWSZSA-N 471.558 0.949 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)cc2NC1=O 1798583208 VOZOWJPDDUTUCT-REGYPHIPSA-N 469.542 0.891 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1799233263 PYSCCJIZBNLROY-UNJWAJPSSA-N 490.601 0.799 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C2 1799323083 YHBPUAMYXOOUOJ-GYFISPQKSA-N 466.579 0.960 30 20 JCED CC(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1799686297 MVUSSOHEXYEZFY-VCTUQFAOSA-N 457.531 0.818 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnncc3C(=O)O)C4)c2c1 1799883920 CWFDSUSOVKDKEE-IVWMJMPLSA-N 461.438 0.440 30 20 JCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1800826035 XUVAASBSVULEEX-DAWKRRPCSA-N 464.563 0.886 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1802088179 VUBVBTBYKNCKRP-CYGHRXIMSA-N 489.529 0.546 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)Cc2cccnc2)[C@@H]1c1cccnc1 1802482954 ODUQEJMNGNXPCH-HDCCZPKPSA-N 462.554 0.911 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1806851419 HNIQYPZUGKLMBK-IAGOWNOFSA-N 489.573 0.732 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1810248965 RFFWPWCHJSBHEW-QILLFSRXSA-N 466.502 0.100 30 20 JCED Cc1cn(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=N/O[C@@H]4CCCCO4)sc3C2)c(=O)nc1O 1819908048 VQSBYKLJTODHBK-ZDZHXEAUSA-N 490.542 0.855 30 20 JCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1822918382 KWTYTGVYMWOQFU-ZDUSSCGKSA-N 460.512 0.880 30 20 JCED COc1cc(N2CCC(C(=O)N[C@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)CC2)ncn1 1825661244 LQKPAQNFHMQFAW-AWEZNQCLSA-N 484.538 0.858 30 20 JCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1829260581 VDDKDQCOOQRTDP-XMMPIXPASA-N 465.510 0.680 30 20 JCED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1829335091 UUBSWRWTVGHYAY-VWLOTQADSA-N 492.488 0.941 30 20 JCED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898912 NATNDGRGAGGVAT-VGSWGCGISA-N 463.556 0.238 30 20 JCED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456969 ZGUMHZVVZUCRHC-QFIPXVFZSA-N 463.556 0.382 30 20 JCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830676062 YONRBGFKJAXKOI-NKOIWJIPSA-N 471.554 0.907 30 20 JCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885983 PAIJEFMGSZFWAQ-VGSWGCGISA-N 453.536 0.132 30 20 JCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(Br)nn4c3)C2)C1 1831215012 HDLDLKCNOFBTSE-OAQYLSRUSA-N 488.342 0.975 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1831387745 KAMMDRSKZGEOGJ-NIYFSFCBSA-N 497.548 0.096 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1831397302 QMMBRNHWCFTGSU-NYHFZMIOSA-N 477.470 0.417 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1831438504 SZWIBFWBBNWKEU-OPAMFIHVSA-N 484.546 0.890 30 20 JCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1833705139 JOKLZFIIBNKCPN-UHFFFAOYSA-N 481.644 0.943 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)c(C)nn1C)CCO2 1833709528 MJSWJJIBDKYPGG-NRFANRHFSA-N 452.483 0.447 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncnn1C)CCO2)NC(=O)OC(C)(C)C 1833848060 VBFZYACBOWFOOP-GAJHUEQPSA-N 492.577 0.745 30 20 JCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756376 XYYQITCCPNTWQM-OAQYLSRUSA-N 454.524 0.288 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1835170216 UESHEVVCYARLQV-OUDOVLHRSA-N 489.525 0.943 30 20 JCED O=C1Cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C/N=C/c5ccco5)C4)C3)ccc2N1 1836789486 GGJSEQRYHSODBH-YGYQLRJYSA-N 466.494 0.963 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1837201046 DVTYKHCDARNLFT-NZQKXSOJSA-N 474.514 0.012 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1837380178 HVJDZQWERSXKTL-MZNJEOGPSA-N 487.557 0.273 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1837527640 ROKZXTSGXGMJTG-GOMHLSDKSA-N 453.536 0.789 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1837531508 ONTYGHWFXMKYSR-BSEHWYNJSA-N 498.540 0.866 30 20 JCED C[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1839131153 PHODWBUCYXYALE-SBUREZEXSA-N 480.562 0.364 30 20 JCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204352 OHEVAYBSJONXCM-AUSJPIAWSA-N 461.581 0.037 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)c(F)c1Br)CCO2 1839400782 YXEHFOZUYSDOBH-LJQANCHMSA-N 487.253 0.885 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(Cl)ccc(Cl)c1O)CCO2 1839416899 PJJYKODPHLUQJT-IBGZPJMESA-N 457.266 0.857 30 20 JCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(F)c(OC)c1F 1839417718 KKFLJVXXCLUTJA-OAQYLSRUSA-N 468.409 0.140 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ccc1NS(C)(=O)=O)CCO2 1839440716 HLQBNRFPZGFBKX-LJQANCHMSA-N 455.920 0.415 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(CC)COC1)CCO2 1839779838 QNBNRMWHMHJVEL-MHECFPHRSA-N 479.574 0.786 30 20 JCED Cc1cn2c(=O)c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)cnc2s1 1840160758 RIWLQSGZRAMEPV-BFUOFWGJSA-N 452.558 0.453 30 20 JCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)C1 1840167906 VJSKENLVNAVZPU-CYFREDJKSA-N 479.574 0.882 30 20 JCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)cc1 1840410734 PAROOXVSXWKOOE-QHCPKHFHSA-N 451.483 0.692 30 20 JCED CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)C1 1840819962 QKWNUSJLSLSBHV-YKSBVNFPSA-N 456.543 0.735 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1841747404 PYSMBIWNIINTLB-FUHWJXTLSA-N 452.552 0.310 30 20 JCED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842809820 AJEGGWAZSBETHH-OAHLLOKOSA-N 462.551 0.835 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1845210605 FWKXGOVLGKVNRZ-LJQANCHMSA-N 480.521 0.986 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C[C@@H]2OCC[C@@H]21 1846180886 HHPOBAQUEJTPCA-ULQDDVLXSA-N 461.515 0.692 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(Cc2ccccc2)CCO1 1847261964 JELCBZAZPXQALP-QNEBSQAFSA-N 452.555 0.948 30 20 JCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2cccc(Cl)c2)c1=O 502052267 TYJPLHPZLFGYQL-UHFFFAOYSA-N 455.927 0.648 30 20 JCED COC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 518135564 RBOPLAYPAIAYID-UHFFFAOYSA-N 456.480 0.816 30 20 JCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1C1CC1 520066082 VSSCLLSBXFIEHV-UHFFFAOYSA-N 476.961 0.989 30 20 JCED CNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1C1CCN(C)CC1 520469896 XGWCBSBGQKRFPA-UHFFFAOYSA-N 493.492 0.935 30 20 JCED Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)NCC#N 520899505 MKUCZBDIZNXJPH-UHFFFAOYSA-N 469.567 0.871 30 20 JCED COc1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc(Br)c1O 589159259 KORSTHJSGFXNQM-UHFFFAOYSA-N 494.367 0.990 30 20 JCED N#Cc1cccc(NC(=O)C2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)c1 749147579 AUFJICPCPMBOPK-GOSISDBHSA-N 471.539 0.901 30 20 JCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)cc1 878407602 WLVFPKNMGKDKTQ-YLJYHZDGSA-N 470.569 0.473 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 916711774 QTTHSQLBMVDIET-JZJYNLBNSA-N 457.578 0.999 30 20 JCED CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 918244345 UAPLOEFOIANDHS-OFGUMHRGSA-N 479.603 0.911 30 20 JCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 920000522 FSTPJILSBUJJOK-HZPDHXFCSA-N 450.561 0.895 30 20 JCED CCS(=O)(=O)N(C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1297731992 LTPGHMAMUZJUQY-QGZVFWFLSA-N 496.615 0.749 30 20 JCED CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1298944420 OINQKLTZAUNQKH-UHFFFAOYSA-N 489.602 0.973 30 20 JCED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1 1314701729 LAMBWQMDUABFCA-UHFFFAOYSA-N 453.547 0.834 30 20 JCED CC(=O)N1CCN(CCn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1508277265 ONHAGWMGNBGIRP-UHFFFAOYSA-N 468.610 0.806 30 20 JCED CN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1554279240 PSJQPUKRAFAIEQ-KBPBESRZSA-N 450.487 0.793 30 20 JCED CN(C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617683448 MYIBNEWAHDIEQW-OALUTQOASA-N 494.666 0.375 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(O)cc2)C1 1620170936 PENPWARCRZSRDZ-LPHOPBHVSA-N 450.496 0.807 30 20 JCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)N2CCN(CCC#N)CC2)c1 1623269788 WMSSETFTHPDVFD-UHFFFAOYSA-N 450.565 0.837 30 20 JCED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1710333472 WLFSZXXTRLGDSO-UHFFFAOYSA-N 477.573 0.963 30 20 JCED CC[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1729249166 YANQWVZGSRPRBP-OFJJUDJNSA-N 458.610 0.510 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCn1cc(Cl)cn1 1751231462 SXCAYNPRINCSCK-CJNGLKHVSA-N 467.987 0.615 30 20 JCED CCN(CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1765015896 UAVCYQUDBXKRSY-PMACEKPBSA-N 494.666 0.519 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C1 1778077684 KRMGVRUOPBWVNG-ZNWGDXKZSA-N 477.587 0.161 30 20 JCED CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)CC1 1778356680 OVHMMAIOGKWOTJ-DEOSSOPVSA-N 479.541 0.042 30 20 JCED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)N2CCOCC2)C3)c(C#N)c1 1780686764 GQOURVPEXXPFDC-GZGNHOFSSA-N 486.569 0.274 30 20 JCED COCCOCCOCCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1780797501 AWJBPCUKSRHPAA-DENIHFKCSA-N 455.552 0.500 30 20 JCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781188384 SZWSPNVHQWTISH-MWTRTKDXSA-N 478.546 0.967 30 20 JCED CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1)C(=O)C(=O)O 1781206702 AYFYTPUZOXBORE-UZUQRXQVSA-N 482.497 0.105 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1782014414 LUGXKXFSWHMFKS-QHCPKHFHSA-N 451.531 0.993 30 20 JCED N#Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)cc(C(F)(F)F)c1 1782034294 QKWDAGLOIHEEIT-OXJNMPFZSA-N 467.448 0.613 30 20 JCED CC(C)(C)OC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782851382 ZMFWWWSFPXJDQA-AUSIDOKSSA-N 487.513 0.162 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1)C(C)(C)S 1784041933 LPQRJVTXYHOJLL-YAEBDLLGSA-N 498.646 0.944 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]3C2)c1 1784517859 HPSRQUIIZCRXEE-VTCANLHHSA-N 463.556 0.841 30 20 JCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785244669 NUKUPRAVFYAZKV-OAQYLSRUSA-N 462.528 0.065 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1785575192 ZRHCIIVIFNPVRU-OSPHWJPCSA-N 488.541 0.756 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1785593266 WXBSUEDVVCLHGN-NPFVIJTESA-N 485.603 0.720 30 20 JCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4nc(N)n[nH]4)[C@H]3C2)c(C(F)(F)F)n1 1788505676 WUHBVYURTFUZHP-CQDKDKBSSA-N 492.462 0.898 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1791108114 LWZXRWZHVACMNJ-XUFBONQXSA-N 479.574 0.375 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1792567498 PEURNZGVESEDHL-AXBMQTGBSA-N 476.574 0.711 30 20 JCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)C1 1793082756 VLNDMBKZHQGVJE-OFHJESTESA-N 490.557 0.924 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NS(=O)(=O)CC 1793535150 HQQKNTDDUIUKLH-IECFSIQFSA-N 484.619 0.869 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C2 1793592780 SSVJVQRSGHHFIB-MTHXSQLBSA-N 466.579 0.960 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(OC)c(OC)c(OC)c1 1793660879 CJXUCSUMFJOQJH-JINAQJPASA-N 487.553 0.703 30 20 JCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1793818378 JITILTKKMBKIAL-KYHPRHEASA-N 457.593 0.771 30 20 JCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)c(Cl)c1 1796441590 XDMNDDYPWYCIST-CWPLJXCYSA-N 480.974 0.840 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1snnc1C 1796593613 PEUQIDQBWZCAAU-FZKCQIBNSA-N 463.560 0.966 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1797650292 GJNVAXFMVSKWEQ-DBENCMRHSA-N 490.626 0.525 30 20 JCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1Cl 1798590562 NWIVVFUZNHMNMC-HBCWATKFSA-N 468.901 0.669 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)c1cc(C#N)c[nH]1)C2 1798695212 WINBKUUNCRCSIC-PDOICOKGSA-N 480.525 0.725 30 20 JCED CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)c1ccc(F)cc1 1799053591 XCRFRXPIEZQAAF-YHELAOLJSA-N 473.549 0.874 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2 1799233030 FBKAQJXUGYMTHK-XMTFNYHQSA-N 464.563 0.361 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1799233393 VBKPOLMNZOLVIO-OYSTVDSJSA-N 489.577 0.521 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1799365438 ZUJQACILECWNNZ-ZOBZJNQJSA-N 481.594 0.323 30 20 JCED COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1799384086 OCILCMOPVUAZLX-JHDGKUDLSA-N 452.548 0.076 30 20 JCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1800996235 VIPRRFSIZKDPAI-AXVVYFOYSA-N 465.547 0.836 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801052326 KSTDZPLDHCDTDX-QGLBADPUSA-N 482.578 0.749 30 20 JCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2)c1ccc(O)cc1 1801055451 VZEDOPTZPXVOJP-VVMIZEJSSA-N 465.506 0.404 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)c1ccc(O)cc1 1801055821 NBFSMLCHCHPGFF-SLWLNILOSA-N 491.610 0.807 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n(C)n1)C2 1802125329 VBHQOEHDPFGENG-KRXQYRFLSA-N 461.519 0.246 30 20 JCED O=C(C#Cc1ccccc1)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1806613367 FJLRZNTXHDUNBH-RDGATRHJSA-N 480.590 0.870 30 20 JCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)Cc2cn3c(nc2=O)SCC3)[C@H]1c1cccnc1 1807368956 WQCXVHUIUIBSRU-FOIQADDNSA-N 467.507 0.081 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1808452043 NBJQAWFNNUCYRM-AVRDEDQJSA-N 453.499 0.854 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCN2CCOC2=O)[C@H]1c1cccnc1 1809526683 RQTXXBWOOZTSPW-WHBFPRCOSA-N 455.515 0.788 30 20 JCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[C@H]2c2cccnc2)CC1 1812443442 OAPZBUVUIYAWIZ-PNYFIKQUSA-N 496.593 0.571 30 20 JCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCCNC3=O)CC2 1814979967 QGMDGJYUHXXSFH-ZDUSSCGKSA-N 484.586 0.981 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cc(C)c(O)nc1=O)CC2 1819722458 QYFOPTHBHYCAJA-WFASDCNBSA-N 461.544 0.899 30 20 JCED CNC(=S)NCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2 1819806010 ZSNKSCSDNPRGDX-GFCCVEGCSA-N 451.622 0.821 30 20 JCED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819843104 BPVBNIGULOEICN-ZDUSSCGKSA-N 481.538 0.799 30 20 JCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822205646 MUXKHHGFBIAPKB-CABCVRRESA-N 491.501 0.946 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)COc3ccc(O)nn3)sc2C1 1824557417 HKHNGQJKUYLNAG-GFCCVEGCSA-N 459.532 0.912 30 20 JCED Cc1ccn2c(=O)c(C(=O)N[C@@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)cnc2c1 1825667942 VIQNVFVUGGNXJC-GFCCVEGCSA-N 451.464 0.773 30 20 JCED COCC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1828578359 CDXDIWCMKFKGNT-VWLOTQADSA-N 483.521 0.953 30 20 JCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830059712 DNQAVYODRKFZDY-OPAMFIHVSA-N 468.551 0.268 30 20 JCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831187689 GYDLEDZADYOKNL-HJPURHCSSA-N 458.515 0.552 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2)C1 1831386446 GPEDRTGKLAUMKF-FLFXDLLNSA-N 497.589 0.409 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1831391418 AWUBLHJFJWMYSN-KOSHJBKYSA-N 468.510 0.111 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1831393695 NKKBUEFMCZAJRJ-SZNDQCEHSA-N 459.528 0.382 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1831397603 SZCOYAZAQBFOJP-UZUQRXQVSA-N 453.499 0.580 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1831399220 RVJCPSWTLLRJLD-IVZQSRNASA-N 474.539 0.234 30 20 JCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1831490552 CVFIXZAWDINRPD-NZQKXSOJSA-N 476.599 0.751 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251622 UYXCNZLZDYVHLQ-RDJCKRGXSA-N 479.383 0.510 30 20 JCED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)CCN4C(=O)C=CC4=O)CC3)CC2)cc1 1833107914 UWOZNLPQMJKXJR-UHFFFAOYSA-N 477.565 0.987 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1833466911 CSPXQRZTMSZNJX-KRWDZBQOSA-N 487.626 0.501 30 20 JCED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)O2)C1 1834754159 XACOHBHNPGOATP-GAJHUEQPSA-N 478.546 0.525 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1835680168 GIUJNSOXDNHZIN-SFHVURJKSA-N 457.369 0.652 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836056263 LEUAXDLYCQIVFH-DEOSSOPVSA-N 465.510 0.816 30 20 JCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)c(C(F)(F)F)n1 1836133995 GTFMWEULVIOWBW-IBGZPJMESA-N 479.419 0.334 30 20 JCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1)[C@@H]1SC(=N)NC1=O 1836169994 NPEPJNHKBMUGTO-UGSOOPFHSA-N 471.587 0.874 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1836844801 FZTXRRYPQORWJK-VQIMIIECSA-N 473.636 0.886 30 20 JCED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525293 LTHCDBTYCUNAHP-KHLOOKIASA-N 469.535 0.704 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837526682 FQJASPJHUQLWOF-AGOJHFBYSA-N 472.502 0.557 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837528361 HROBWDSKDOMCTE-LVJFVWMNSA-N 472.502 0.328 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837564503 SHDRXZWHBNBYPV-DBNSOCDESA-N 452.471 0.511 30 20 JCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1837663243 SQLXYRRNCZTXDJ-QFIPXVFZSA-N 458.519 0.480 30 20 JCED Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1Cl 1838307969 FHEOKTBAZIRAPV-AGVQAPASSA-N 469.926 0.673 30 20 JCED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)n1cnnn1 1838404775 WEIVSXYBZRPPSQ-SGQCMQEMSA-N 463.539 0.762 30 20 JCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)CC2)CC1 1838773478 ICWGTGJNPJFYBY-DFBJGRDBSA-N 465.506 0.983 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCOCC1)CCO2 1839139487 JIWASETZTPYYIH-DVECYGJZSA-N 479.574 0.786 30 20 JCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186074 YRHCNQLBBYTEPN-REWPJTCUSA-N 460.506 0.611 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1839228303 YTBKMXNALYMBSL-IVZQSRNASA-N 491.570 0.997 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)Cc4cccn4C3)C2)C1 1839810416 WNABWQWRXFXYBS-DFBJGRDBSA-N 486.569 0.945 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)cc1C#N 1840763707 NCDVTYUQHPXUQT-YADARESESA-N 470.526 0.552 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1841053304 JBFJNQORQZSZIG-MZIIKBMYSA-N 476.574 0.666 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1846282794 OEFGSTNLNPGFJT-ACRUOGEOSA-N 497.596 0.920 30 20 JCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 25962446 KRHHGPDAOYRUJX-UHFFFAOYSA-N 474.495 0.475 30 20 JCED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(OCCOC)cc2)c1=O 501261341 WPPVNAFVDHSZML-GOSISDBHSA-N 457.552 0.753 30 20 JCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)NC1(C#N)CCC1 501920877 MNIFKECFUGDHSA-UHFFFAOYSA-N 482.584 0.950 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 507930270 WUMDNLMKOVQBNN-QZTJIDSGSA-N 489.554 0.637 30 20 JCED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 518044851 QDTOXLBIGQDJPV-QGZVFWFLSA-N 472.523 0.933 30 20 JCED C=CCN([C@@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 596229973 SEKSYSVVYMHSIG-ZDUSSCGKSA-N 468.499 0.948 30 20 JCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c1=O 610487052 BIMQQVZFRRENRC-SJLPKXTDSA-N 468.579 0.764 30 20 JCED COc1ccc(CNC(=O)[C@H](C#N)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 727233221 JVWYTFZMEFZCJD-CYBMUJFWSA-N 473.287 0.926 30 20 JCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O 730028904 LHTRPLFRFNIDCE-UZUQRXQVSA-N 454.483 0.561 30 20 JCED CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCC(=O)NCc2cccc(C#N)c2)c1 746542249 NBBMWOCPYVIYAQ-UHFFFAOYSA-N 460.512 0.686 30 20 JCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OCCO2 839369806 LABJCLFTVHMQED-AWEZNQCLSA-N 481.534 0.058 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 843759703 UWWQMIROCKQWAK-KRWDZBQOSA-N 477.587 0.479 30 20 JCED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2c(C)nn(C)c2C)c1=O 917354932 BRNWVSVYYZAUME-UHFFFAOYSA-N 486.642 0.354 30 20 JCED CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918446250 RQCNDCXFWRRVDF-BJJKHMRRSA-N 451.549 0.859 30 20 JCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(=O)N(C)C 918730234 UFCIRWQLXIPKSK-UHFFFAOYSA-N 474.926 0.185 30 20 JCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286538690 RTTRGDUPZDCPMY-HNNXBMFYSA-N 466.384 0.882 30 20 JCED C[C@@H]1CCC[C@@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1291080773 UASLDABBCTVYST-OXFYSEKESA-N 452.581 0.902 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1512519791 ITZCMHKBRMMZCT-WCXIOVBPSA-N 455.585 0.116 30 20 JCED N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC(=O)N2CCOCC2)cc1 1555991551 QHHWPSJNCSMLNI-SFHVURJKSA-N 467.530 0.679 30 20 JCED CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC(O)(CC#N)C1 1616733373 OKJKZEIUZZINSI-AWEZNQCLSA-N 458.334 0.469 30 20 JCED CCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1695855470 XCYRLXBWNGOHEQ-BHIYHBOVSA-N 464.640 0.939 30 20 JCED CS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1731009550 LQYYZCMLGRDFIN-QGZVFWFLSA-N 478.600 0.423 30 20 JCED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)N(C)C 1741675965 SBZPZJXDIVIWNE-HNNXBMFYSA-N 454.539 0.271 30 20 JCED C[C@H]1CCCN1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741938705 LMMSVZQEJHLOAD-ZWKOTPCHSA-N 487.634 0.966 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CCO1 1748211868 PQQTUSPBFOAEDS-SFHVURJKSA-N 458.544 0.593 30 20 JCED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)F)CC1 1749104292 PICWWGBBWUPHHX-ZDUSSCGKSA-N 499.382 0.907 30 20 JCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)CCO1 1767728104 ZUCQLAUJSFKUHR-IBGZPJMESA-N 450.503 0.885 30 20 JCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2cc(Br)cn2)CCO1 1770748865 SNWABYQBNJPFHW-ZFWWWQNUSA-N 484.380 0.958 30 20 JCED CS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1771355864 UHGSCZWGMBPSAU-UHFFFAOYSA-N 475.550 0.896 30 20 JCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)c1cc2n(n1)CCCNC2=O 1778916463 LLFRGWFXUIRGCX-SASUPONLSA-N 485.589 0.616 30 20 JCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)c(C(F)(F)F)n1 1778937174 CONIABZQNAJXDM-GOSISDBHSA-N 450.377 0.291 30 20 JCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1779074138 WEHWULBBZUIPJE-UGKGYDQZSA-N 461.446 0.636 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779888161 CDSPEQMBRCWBFI-WZONZLPQSA-N 458.515 0.680 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1780194370 IXDCVDZRPYMZSF-QATSOJGNSA-N 474.470 0.611 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)c(C#N)c1 1781177526 ZRJOVFAVYWEFEL-XMMPIXPASA-N 495.492 0.709 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1781295452 RCVGWEPHQFWLMH-GLDPYIMESA-N 496.605 0.827 30 20 JCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781339831 IWKLFMIGUREBKS-CLOONOSVSA-N 493.601 0.791 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)[C@@H]2C1 1781964926 XZRARWIUAAYGMT-AGYLXNLDSA-N 475.542 0.701 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783601707 CTNICMVLRVLNMW-KCYKTTMJSA-N 497.589 0.846 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1783765481 OTNZMXRFPKMVJW-MFEFFIJZSA-N 464.563 0.812 30 20 JCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CCO2 1783920498 SVKRWWCFTJXLQQ-JOCHJYFZSA-N 463.556 0.727 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1 1784411746 RXABGALTTLGXMY-BURNTYAHSA-N 486.569 0.973 30 20 JCED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1787511915 KHVKAZCFOYYVQK-NQMMJPIWSA-N 463.556 0.117 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21 1788658379 KHASGCCDZNBVQZ-URZVVSFKSA-N 456.503 0.852 30 20 JCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1788679825 RISXPWDOASJPDI-NFLBJGBUSA-N 494.508 0.984 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789955683 ULOCZMGRQRBHNT-QWQQUQAHSA-N 455.508 0.262 30 20 JCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1789958355 PNRBNQJUNNOORW-JZCOGDJRSA-N 496.605 0.995 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21)c1ccc(O)cc1 1791335064 QOUIVUFKGFHVSR-ZFMNYDKASA-N 482.537 0.421 30 20 JCED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21)c1ccc(O)cc1 1791336170 QLCINNPIEJUDNF-DKBNTXJOSA-N 470.570 0.462 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791343218 STEMUXFLEXZKAJ-BCYZHJNNSA-N 478.590 0.962 30 20 JCED CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)c1 1794323203 MHZGCNVWHBDVSI-OPMZPASUSA-N 484.534 0.639 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 1795598375 UINLMYIFQMULJV-DCXXXQMHSA-N 459.591 0.649 30 20 JCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1795600095 SPSRXSJYXSPBJE-JLVBRIDZSA-N 472.571 0.611 30 20 JCED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2c[nH]c(=O)cn2)ccc1Br 1798634852 KBMGRZSMOLRZBP-ZSBFGKGUSA-N 472.299 0.921 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]1[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C#CC(=O)O)C3)C2 1799157194 YDBFBPIZMTVYAG-PAXJFUQBSA-N 475.542 0.700 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2 1799321439 BKYSDNUUJNIGLL-MDMSPXHWSA-N 481.594 0.882 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799748603 MCBMXRMDWONOKB-VAKZPMALSA-N 468.489 0.371 30 20 JCED Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c2cc(Br)ccc21 1800113235 NUCSWOVSSNPHGE-KSPBDQMDSA-N 475.299 0.627 30 20 JCED CC(C)C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)N1C(=O)c2ccccc2C1=O 1800778598 JNJGWGQNVDDDKI-LIWAJOSJSA-N 481.505 0.375 30 20 JCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C 1801158677 QVNRXSVYJQGGJU-OGJJZOIMSA-N 463.531 0.540 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1802126861 NPRCVCUAEWQBNP-YVSFHVDLSA-N 483.529 0.244 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1802139785 PZDOEBJUDOXOMX-FKGOBVFQSA-N 492.573 0.888 30 20 JCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804193921 FVQBBUOESPTQAK-FPOVZHCZSA-N 490.630 0.100 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)C1 1809770239 RLBYSUFHINCDID-UHFFFAOYSA-N 455.563 0.753 30 20 JCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810277972 BJSTYBKJJCVVKL-FTPTTZRMSA-N 478.619 0.887 30 20 JCED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1cccnc1 1812583811 AUNQJWFIKJAPHJ-ILZDJORESA-N 493.568 0.747 30 20 JCED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)c1 1812716909 IVKGYKHAJOBPCB-GGAORHGYSA-N 451.527 0.559 30 20 JCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNC(=O)c2cc(C)on2)[nH]n1 1814438995 XDYRXINEJHCCCZ-QWPQOLDESA-N 469.502 0.987 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399632 DCDMXBDEGYFGTC-PBHICJAKSA-N 458.523 0.847 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 1828578967 APCONWSGSCYXQL-CYFREDJKSA-N 495.540 0.164 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]n3)CCN2C(=O)OCc2ccccc2)C1 1829034456 WGXGWVLWLKMQIB-KOSHJBKYSA-N 480.525 0.909 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829519376 AKWCTGZLEXTKJN-QFIPXVFZSA-N 462.934 0.899 30 20 JCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccncc4=O)C3)C2)cc1 1829635543 KPSYNANGPJXBTO-XMMPIXPASA-N 465.510 0.204 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1829766451 ZSTCSSRZVJFEHW-GYLQWBMOSA-N 453.499 0.491 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1829769232 OHHXBVAWVQMYRL-IYZQMXKPSA-N 474.514 0.027 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)C)nn3CC)C2)C1 1829769540 YRNUIWMETPKZBD-IBLIISRWSA-N 473.574 0.955 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1829770586 ZIVYTPRPQOZMRM-VRWDYKOXSA-N 480.525 0.400 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1829773156 CEJUIJPCICHTRA-AEULUCADSA-N 475.542 0.057 30 20 JCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1829848079 YBYSHKJKZXKVRW-NRFANRHFSA-N 453.511 0.815 30 20 JCED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(=O)c1ccccc1 1831145467 LTSKNWRSJFLPHM-HLHNIQGOSA-N 485.585 0.687 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1831397470 RQURQZZSWZODLI-HOOSLVGPSA-N 475.517 0.439 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1831404050 HYEOCOUPKFRQII-JTSKRJEESA-N 465.547 0.538 30 20 JCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1831424322 HVUCBECIQGEJQB-MWTRTKDXSA-N 458.515 0.627 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)CCO3)C2)CCC1 1833028670 RZNSFILMRYOQPS-IQMFZBJNSA-N 471.514 0.143 30 20 JCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCc4ccccc4[C@H]3O)CC2)CC1 1833332099 ARSKEMMQERGTOG-ZJSXRUAMSA-N 453.539 0.942 30 20 JCED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1833511265 ZWSYSMWUBQTYAK-QHCPKHFHSA-N 467.482 0.506 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833599706 RBHZQGAPISYHQU-HRAATJIYSA-N 482.559 0.356 30 20 JCED COCCOCCOCCC(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834604483 WDBGTVZIADNLAD-UHFFFAOYSA-N 450.580 0.931 30 20 JCED CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756363 UWAUELMLDFXGSX-YADARESESA-N 487.557 0.887 30 20 JCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)Cn4cnnn4)CC3)CC2)c(C(F)(F)F)n1 1834875571 PXZJGZMGDREVIM-UHFFFAOYSA-N 491.478 0.844 30 20 JCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1835100353 NWPIDLNRECJDRA-RUZDIDTESA-N 473.489 0.211 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835127005 JWZZHZWSNRRYMX-GCRLEYHISA-N 492.573 0.191 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 1835200614 JNHDBLOCAZBOLM-VGOFRKELSA-N 484.550 0.268 30 20 JCED COc1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835667567 IPEUNCINIAZKAB-XMMPIXPASA-N 474.558 0.812 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(C#N)c1 1835680065 DOIDEVXSUOXSMS-VWLOTQADSA-N 483.569 0.848 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1835682175 ASDCEQSCBOLWNJ-VWLOTQADSA-N 470.570 0.902 30 20 JCED COc1ccc(COCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1 1835682723 SHTQOYMPXKMBTJ-RUZDIDTESA-N 488.585 0.950 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)N4CCOCC4)CC3)CC2)c1 1835767049 YQXSZRBLCPZOJK-DEOSSOPVSA-N 473.549 0.533 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)c1 1835926286 KUHPPLPOOPRRHK-GYCJOSAFSA-N 491.508 0.428 30 20 JCED C=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccn4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1836174024 KVUMIVJORDKTSC-CYFREDJKSA-N 489.573 0.905 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)NC(=O)OC(C)(C)C 1836213742 PWMWMHCRTRLSCM-MBSDFSHPSA-N 492.577 0.594 30 20 JCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n(-c2cccc(=O)n2C)n1 1836260454 YKDWBBVCRBSEDA-XMMPIXPASA-N 482.541 0.499 30 20 JCED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837429987 FVYYLRDVAZVDNM-NZQKXSOJSA-N 481.666 0.645 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1837439663 ZVXJLJQCPGOLBO-VWXZLZIGSA-N 450.927 0.672 30 20 JCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1I)CCO2 1837963311 IUHJVCUFLSGBAP-INIZCTEOSA-N 473.271 0.388 30 20 JCED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595885 IHTYNZOUWPWDOE-IIBYNOLFSA-N 463.922 0.729 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4ON=C(c5ccccc5)O4)C3)C2)c1 1838737500 WEAOXJOZPKDBOO-DHIUTWEWSA-N 465.466 0.691 30 20 JCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1O 1838739891 AJBPVXMHNKBFQO-QHCPKHFHSA-N 467.482 0.934 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c(OC)c1)CCO2 1838972672 OZDAASVBOMHHBW-FUMRIQNTSA-N 459.499 0.329 30 20 JCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363406 TXOHFMJWIZKDDL-QPPBQGQZSA-N 487.509 0.317 30 20 JCED O=C1Cc2cccc(C(=O)N3CCO[C@]4(COCCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)c2N1 1839573671 VGLSHXCPMMEOJX-PLTBLKKTSA-N 486.525 0.780 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c(O)n1 1839867552 CFNKPIAKJGUUHK-HJPURHCSSA-N 458.515 0.112 30 20 JCED CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045136 SBOKSBNVDRBWMU-AOMKIAJQSA-N 467.519 0.224 30 20 JCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840048220 XPWCJHVLUGJMCE-JOTIYABQSA-N 492.573 0.505 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c1 1840714214 WUTQBIJQLPJLCP-NTKDMRAZSA-N 456.543 0.716 30 20 JCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1840843006 OADVUZBQWYKLGW-QFIPXVFZSA-N 455.471 0.162 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1840907063 OOTHSEDAJFBVKR-NTKDMRAZSA-N 489.573 0.565 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1840907448 VKOMVIJNRMEWNG-WZONZLPQSA-N 475.546 0.256 30 20 JCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1=O 10854914 YUVQFVLYYYJIRL-UHFFFAOYSA-N 483.909 0.227 30 20 JCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CCN2C(=O)CCC2=O)CC1 107669291 TXZQWNIXBALNHM-UHFFFAOYSA-N 455.427 0.537 30 20 JCED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c2ccccc2O1 518118793 LNVXDCVASCRXSW-FQEVSTJZSA-N 451.458 0.886 30 20 JCED CN(CC(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)S(=O)(=O)c1ccc(C#N)cc1 519958174 HXMVNMLZIDNGBC-UHFFFAOYSA-N 485.566 0.879 30 20 JCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3cnn(CC)c3)c2=O)cc1 523182460 NCXXBKZJPVHIID-UHFFFAOYSA-N 467.551 0.780 30 20 JCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccs3)c(=O)n2-c2cnn(CC)c2)CC1 523579840 IUVMVXWJWODVGY-UHFFFAOYSA-N 468.608 0.844 30 20 JCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 603781581 AZEAQQKQHMEHGM-UHFFFAOYSA-N 466.541 0.611 30 20 JCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(N)=O 608911413 FCNJOFXECQWZFG-UHFFFAOYSA-N 451.335 0.827 30 20 JCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O 608911610 LOJRIEVEQKNHCV-UHFFFAOYSA-N 452.458 0.833 30 20 JCED COc1ccc(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1S(=O)(=O)N1CCOCC1 609153288 MOKORZKGHCCAGV-LJQANCHMSA-N 464.588 0.951 30 20 JCED CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 769829689 IKTKCMGGTGGYHO-UHFFFAOYSA-N 480.524 0.269 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CCOC 914564893 KIZVZGJOTPTFBN-UHFFFAOYSA-N 472.386 0.646 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 915903070 VBLSFHHLTCIVIF-LVZFUZTISA-N 472.570 0.948 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)cc1 918258315 RZGJJKARMJYASO-DIBXZPPDSA-N 482.526 0.730 30 20 JCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C 918930182 KBNIMEPRGMFIAF-ZFWWWQNUSA-N 452.533 0.420 30 20 JCED CCOCCCNC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919664914 MVRHRMZIXVOTQA-RDJZCZTQSA-N 463.512 0.875 30 20 JCED CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1302470433 KKJZSUNDUQZUIH-UHFFFAOYSA-N 475.575 0.583 30 20 JCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(=O)N2CCCC2)n1CCCC(=O)N(C)C 1305121626 JXZOWTOXIYHRSS-QGZVFWFLSA-N 480.577 0.759 30 20 JCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC(C)C)CC1 1359151095 NACCHGAWHPYMPM-KRWDZBQOSA-N 477.031 0.911 30 20 JCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1517630687 XUANPUOPGCUWHY-ZIAGYGMSSA-N 454.578 0.624 30 20 JCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCOCC2)C1 1722555504 LKKDDXNYSLXEAH-OAHLLOKOSA-N 461.972 0.749 30 20 JCED C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 1749245023 YHOGXOKTEFBDRI-PKOBYXMFSA-N 474.587 0.991 30 20 JCED COC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1769258899 RRQVYCKKLFFEPY-SFHVURJKSA-N 454.535 0.655 30 20 JCED CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2C1 1778369304 SVGPENUVBNYMLE-HSZRJFAPSA-N 487.513 0.165 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1779471850 VANQVAHHRYCOMD-PIBDYAPNSA-N 497.596 0.807 30 20 JCED Cc1c(C(=O)N2CC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn2[nH]cnc(=O)c12 1780021553 BBKBQHCKGXQWDW-DEOSSOPVSA-N 476.493 0.725 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1781290921 KFEGAUPMBZKRCG-QQMNAOGKSA-N 464.563 0.954 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1781294292 JJCFFHPUKDBJPV-VGSWGCGISA-N 462.551 0.968 30 20 JCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781311067 NBTXMTPZKSPPEL-AUSIDOKSSA-N 483.529 0.374 30 20 JCED N#CCc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CS(=O)(=O)N4CCCC4)CCO3)C2)cc1 1781786985 OWOUOWTXHYZYGO-JOCHJYFZSA-N 460.556 0.622 30 20 JCED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C34CN(C(=O)OC(C)(C)C)C4)C2)C1 1783474465 FCJPVBSFPCAFJA-VGSWGCGISA-N 497.614 0.817 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)C[C@@H]21 1783529254 JEUUDFATSNUWHZ-JAYGYPRLSA-N 476.574 0.834 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COCC)CCO2)C1 1783883455 IQENOJTUHMWQQR-SBUREZEXSA-N 498.577 0.658 30 20 JCED CC#C[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1)c1ccc(O)cc1 1784013384 DLKJTCFVQUGMOF-WXVUKLJWSA-N 457.527 0.782 30 20 JCED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)ccc1F 1785545469 WFRQKVWAYRLXFX-NRFANRHFSA-N 476.555 0.930 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1785575670 AURLVTNGINGVRR-YHEJKZAPSA-N 450.536 0.258 30 20 JCED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)CO2)C1 1786369168 NHFMQVMWWMNUOZ-MHORFTMASA-N 462.547 0.906 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786891199 UEXZIULSZOEIMO-QTMHVTGLSA-N 495.621 0.418 30 20 JCED COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789956996 AVWCMWUCMTVMCU-ANULTFPQSA-N 487.594 0.463 30 20 JCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C[C@@H]21 1791261606 RCKLWIWTNHNPBK-WJWMFLMHSA-N 471.620 0.902 30 20 JCED COCCOCCOCCOCC(=O)NC1(c2ccc(NC(=O)C#CC(=O)O)cc2)CCC1 1791448976 GVDFNLBFMYOGHK-UHFFFAOYSA-N 462.499 0.905 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C2 1792484369 FPNATPQUMAZWIX-RJRFQMQXSA-N 492.573 0.070 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C(=O)OC)s1)C2 1792489777 RHZSUYCGLDDJTM-KULPGCBOSA-N 461.540 0.525 30 20 JCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)cc1 1793611794 OQZZMBLYKRYDBS-NHKMSHSESA-N 450.495 0.396 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 1793773876 DAYWPWITZCTDFT-DSENTWTASA-N 458.559 0.226 30 20 JCED CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793880181 XBVNPTLHCVJAFB-RCJHGTSTSA-N 451.520 0.748 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1794250308 UXSQLVRCQKFVDG-MHORFTMASA-N 468.558 0.840 30 20 JCED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)cnc1I 1794488157 ZZHQBAUKBJOFPD-JJLQDPRZSA-N 470.267 0.812 30 20 JCED CC(C)(C)OC(=O)N1Cc2nccnc2C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795084534 CUAYYVBPHOJRAS-ZDUSMZPESA-N 470.530 0.642 30 20 JCED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)NC(=O)OC(C)(C)C 1795392155 IRBMYENZWMPMJN-PHSQPZKOSA-N 464.563 0.714 30 20 JCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc3nnc(Br)n3c2)CC1 1795927078 VYBJSHIFNWSPFY-AGGWBTHJSA-N 459.304 0.999 30 20 JCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1797783901 WFSLRMSYCBXDBF-UPHUGPLXSA-N 472.498 0.045 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1799231610 HXNUKKVQCQQVMG-ADHGMGHFSA-N 478.546 0.381 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)COc3ccc(O)nn3)c2c1 1800207839 LRHJHBMYFCJNDV-VTEUUUEMSA-N 463.454 0.212 30 20 JCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C 1800825386 MPEMLHGRXKIPRM-TZGYDXHLSA-N 479.574 0.375 30 20 JCED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O)c1ccc(O)cc1 1801533196 WZEGCCZVPPYXSH-XWQURZDVSA-N 462.568 0.914 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1802126690 LZZXBVNUZMGHFV-LUYSREMJSA-N 485.585 0.458 30 20 JCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@H]1c1cccnc1 1803544334 ITZFLCXRUXEYQV-NBMJBFSESA-N 450.561 0.454 30 20 JCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1807145803 PEPAFXKSISTXIW-NVXWUHKLSA-N 453.503 0.884 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCCNC3=O)[C@H]1c1cccnc1 1809680381 YMIXZMFSZREQAJ-HGHGUNKESA-N 464.526 0.770 30 20 JCED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1828026597 MQVBZEDSGKZKRR-JSGCOSHPSA-N 468.495 0.604 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1828581147 ZUNGLINIWHLXSP-HEKZAOSPSA-N 496.564 0.755 30 20 JCED NCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCN2C(=O)OCc2ccccc2)C1 1829133714 PQDBRSPIQMTOEC-RGXRWQALSA-N 470.574 0.869 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCN2C(=O)OCc2ccccc2)C1 1829202569 RUNQJAVHAXTPJF-OJZVVMIASA-N 498.580 0.200 30 20 JCED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1829464824 MPCAOZQFUNITNH-OZXSUGGESA-N 498.580 0.503 30 20 JCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(N5CCCNC(=O)C5)n4)C3)C2)C1 1829664750 AAGVXOOINUGBKK-RUZDIDTESA-N 483.569 0.444 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1829766388 WDHWRZOXVLPVSY-UDENOZGOSA-N 468.554 0.016 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1829770029 CAMNEMSOXHWKKJ-XXGSHBOYSA-N 453.499 0.491 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830051041 UQXXGULJFKRXSV-YIGJPRQDSA-N 472.542 0.172 30 20 JCED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2)c1ccc(O)cc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c3ccccc3-n3nccn3)C2)C1 1831435216 NEYXUKYEHIPKJA-JPYJTQIMSA-N 455.515 0.928 30 20 JCED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1832294150 UYPQJJZOPDCPNV-QHCPKHFHSA-N 460.506 0.565 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3C)CC2)CC1 1833073799 HMPROCYRPJFRJK-FPLPWBNLSA-N 455.559 0.429 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(NC(C)=O)n1)CCO2 1833338692 WTOIHHKRDQRNRG-HSZRJFAPSA-N 474.514 0.619 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(Cl)c(CC)nn3C)CCO2)C1 1833590109 AXZCBHUOTHVZPL-QVKFZJNVSA-N 452.939 0.744 30 20 JCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1833614898 JCWBPVLUNOCCLE-NFBKMPQASA-N 478.615 0.943 30 20 JCED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2)NC(=O)OC(C)(C)C 1833886613 ZNYVZAQGBACDFS-GAJHUEQPSA-N 492.577 0.745 30 20 JCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C)nn2C)CCO3)c(C#N)c1 1834164748 BYKWNTUOUPIUDC-XMMPIXPASA-N 467.526 0.922 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OC)c(C)c1)CCO2 1834580157 NRNRQNFKSVRJCE-QHCPKHFHSA-N 461.515 0.978 30 20 JCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834601114 RZELUDQEABJPLE-INIZCTEOSA-N 453.547 0.470 30 20 JCED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834794097 QUTYAIIFJXJVRZ-SFHVURJKSA-N 461.592 0.557 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccccc1N)CCO2 1835774016 GNMMGGZCDHQMLY-VTWFOPJWSA-N 454.527 0.597 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836872938 PPJIZZLJZXXATP-QFIPXVFZSA-N 457.487 0.309 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836888444 BFEWKESBARWNLK-JBMWNJKUSA-N 452.471 0.511 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Br)cc3[nH]ncc13)CCO2 1837067486 SUGFOWUCRVZBME-FQEVSTJZSA-N 491.298 0.483 30 20 JCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1837211063 GHLCBFATLYXILI-UWJYYQICSA-N 480.905 0.346 30 20 JCED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO3)c(O)n1 1837375120 HSTQOBDGOXTAHI-MZNJEOGPSA-N 489.573 0.683 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1837525472 WUXZTIJLISVLAU-BXWCNLNUSA-N 499.414 0.327 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837564412 LXGRKXMKFVHTJZ-CSOJOJLQSA-N 452.471 0.740 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)c4nccnc4C(N)=O)CC3)CC2)c1 1838508636 WETSMMGIRXRXLP-UHFFFAOYSA-N 451.487 0.701 30 20 JCED CCOC(=O)N1CCC(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)CC1 1838773920 DZVUPKBAJPWCFX-UHFFFAOYSA-N 463.531 0.942 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1839129784 KHGLISDUGXBOOP-SBUREZEXSA-N 479.530 0.178 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC4(O)CCC4)C3)C2)c(C#N)c1 1839133161 BCOZTQHOLDJSEM-DEOSSOPVSA-N 457.527 0.871 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1839176419 NIESXHQGXFHUDC-QFIPXVFZSA-N 475.477 0.448 30 20 JCED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187403 AFXRUFIOEDJTBN-CVDCTZTESA-N 458.490 0.317 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1839421478 TUXMCZNVTXBTCU-QFIPXVFZSA-N 469.429 0.569 30 20 JCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1839842547 YNSKJYAWPDMFHX-UWJYYQICSA-N 457.593 0.327 30 20 JCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1840055492 WFHWDZHUJUJWLZ-UZUQRXQVSA-N 481.546 0.313 30 20 JCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1840161155 GGUOLHNSNVCIOH-JXHRLWIKSA-N 463.600 0.662 30 20 JCED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1)c1ccc(O)cc1 1840222393 NNFPRWAZOGSKHO-PXDATVDWSA-N 471.554 0.872 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)c1ccccn1)CCO2 1840327024 MJNPFFLSDYBMQI-XXXZYALBSA-N 456.543 0.674 30 20 JCED Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn2[nH]cnc(=O)c12 1840814385 GLFPUDQQBXAAIO-JOCHJYFZSA-N 454.487 0.095 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1840908835 IIIOVIDMIDTNME-MIVHDCIWSA-N 465.547 0.130 30 20 JCED COC(=O)c1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1 1840957440 BPRBQVZTCPGYFU-QHCPKHFHSA-N 459.499 0.858 30 20 JCED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C#N)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1841475782 DDPSPWYNHUIOIR-RBUKOAKNSA-N 470.574 0.483 30 20 JCED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)c1 1841985573 LXUYEPIPCDNPDG-INIZCTEOSA-N 489.536 0.578 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cc2cc[nH]n2)C1 1845828255 JRCMPCCTWSKDFD-KRWDZBQOSA-N 490.561 0.961 30 20 JCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1847805037 KBRDVUGYTVMHTF-QMMLZNLJSA-N 475.567 0.561 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnnn1C 1848282244 XYSLEOYNJAHBQU-JYJNAYRXSA-N 491.549 0.436 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2C)c1=O 501761407 FXKHHOZHKNYBLT-UHFFFAOYSA-N 498.605 0.123 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCc1ccccn1 523181635 WTQFCKOOHHQFLR-UHFFFAOYSA-N 491.573 0.772 30 20 JCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(OC)ccc1OC 523254870 VCZBAILQKMRICG-UHFFFAOYSA-N 453.524 0.679 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(OCc3cccc(C#N)c3)c2)c(=O)n1CC(N)=O 608911037 FPOZWSUXIGWELF-UHFFFAOYSA-N 499.552 0.627 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CC(C)(C)CN(C)C 608912428 WMQATKYICIYQNA-UHFFFAOYSA-N 490.601 0.911 30 20 JCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@@H](C(=O)OC)c3ccc(Cl)cc3)CC2)c1=O 917457412 QXQKXCSHYYNCMT-LJQANCHMSA-N 489.960 0.687 30 20 JCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)C(N)=O)c1 918280732 KEJAEFYFCPZCME-JLPGSUDCSA-N 451.549 0.846 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1-n1cccn1 1303837531 YGARRDGUUYCANG-LIRRHRJNSA-N 459.511 0.959 30 20 JCED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1504874536 UAEHRKQWEYSIIN-LJQANCHMSA-N 492.602 0.907 30 20 JCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CCO1 1508382206 ZRYYFFRYIMSLEX-QFIPXVFZSA-N 480.573 0.322 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1512519771 ITZCMHKBRMMZCT-NCOADZHNSA-N 455.585 0.116 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1519551279 ZFNGBSMWHBATQR-UHFFFAOYSA-N 489.558 0.653 30 20 JCED CCN1CCN([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547700118 LLXISYHCMHJEKW-ROUUACIJSA-N 453.551 0.680 30 20 JCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1552739900 MSLQVKNQPDZREW-GOSISDBHSA-N 471.587 0.462 30 20 JCED CS(=O)(=O)CCN1CCC(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 1563954254 QLNQJSLFYNZMAV-UHFFFAOYSA-N 450.565 0.764 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1593887169 XIVDGODWLRWZSM-INIZCTEOSA-N 457.000 0.677 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1611686982 PEUZSQXONDTGFX-KUHUBIRLSA-N 484.579 0.976 30 20 JCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1615938478 YHPAACCZURLOKE-QFIPXVFZSA-N 455.588 0.943 30 20 JCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CCO1 1618709784 NGVMUILWRWTEHE-PZJWPPBQSA-N 481.557 0.938 30 20 JCED CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1662160945 JSLHZNOEADDQPV-UHFFFAOYSA-N 456.365 0.753 30 20 JCED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1C 1663408842 OFENJFKRLIGGRT-UHFFFAOYSA-N 452.562 0.328 30 20 JCED Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CNS(C)(=O)=O)CC2)n1 1711268232 LFMGKISZUKAGGC-UHFFFAOYSA-N 455.548 0.759 30 20 JCED CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1711319035 SJLLYESOTOIDFA-OAQYLSRUSA-N 457.560 0.815 30 20 JCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCC1 1723780096 PLBVUTXQYZPAJT-IRXDYDNUSA-N 467.596 0.752 30 20 JCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC(=O)N(C)C 1723960698 UOJMKCCYABHEDM-RHSMWYFYSA-N 461.548 0.426 30 20 JCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1761498319 RPTNIBVMHIGBAW-PNLZDCPESA-N 489.602 0.626 30 20 JCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCC2(O)CCOCC2)C1 1771361417 MAIYYIBCOIFBLT-KRWDZBQOSA-N 468.580 0.283 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)CCO2)C1 1778969899 BOKIJTZPNDDLRA-QQMNAOGKSA-N 469.579 0.929 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779099914 PMUMCZLFZIJEMI-GUDOCMNSSA-N 489.529 0.352 30 20 JCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780168197 FXXKGNZTJLEORP-BTYIYWSLSA-N 464.544 0.338 30 20 JCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1780936592 RKYWYHRKCPGBBG-QHCPKHFHSA-N 452.511 0.825 30 20 JCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1781166415 ODMVVKKAESQZNC-KSFYIVLOSA-N 465.551 0.181 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)COCCO)C3)C2)ccc1Br 1781319741 DJERGOMTLUYAOW-IBGZPJMESA-N 452.305 0.773 30 20 JCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CCO2)C1 1781394220 BAPSAEAESHZAPA-NPMXOYFQSA-N 481.513 0.815 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782808688 IRHZDNBLUGDNDG-PTMWVHEISA-N 482.581 0.310 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1783269081 OUXCAFNUWMZDIB-YZZKKUAISA-N 474.562 0.709 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1783882952 ANRQFAIXVQZEFY-GAJHUEQPSA-N 493.561 0.926 30 20 JCED COC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C[C@@H]32)CC1 1790888552 CRPGEQSUBMIVHO-ZVZYQTTQSA-N 451.483 0.981 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792281394 FUMAAJNJHUHENZ-VGWMRTNUSA-N 453.540 0.104 30 20 JCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)C1 1792452110 TZKDFZMYQYPKKY-UDMSYCLOSA-N 476.574 0.888 30 20 JCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1792778782 OKAGLUJIVLQENG-BVJIBDCISA-N 485.585 0.037 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(c2ccccc2)=NO1 1793277204 NFENPKMRCGTODT-ICVKDSPJSA-N 452.511 0.628 30 20 JCED COc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cc1F 1794364359 NUJVWZFYMFRUTQ-LZGXWKSMSA-N 450.467 0.962 30 20 JCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)C1 1795410025 WZBWABXINSWBEY-GIFQPEHOSA-N 476.574 0.888 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1796336200 FGTRDEIIDHZHII-NBMJBFSESA-N 473.530 0.725 30 20 JCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C 1796390520 MZACLNFYOMBLAL-AVEIZBFRSA-N 455.552 0.707 30 20 JCED Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)cnc2c1 1797068542 OBITVLDPJWCMBO-PMEUBLMBSA-N 466.542 0.678 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 1797280083 UCJGVYFEESJCNR-MVDLGSMLSA-N 494.564 0.784 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)cnn1C)C2 1797710190 IEHXCNBRFQCYSQ-NEBZKDRISA-N 455.353 0.959 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1797713027 BGBBASYISHPYHG-DACLVMHWSA-N 480.525 0.347 30 20 JCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2)c1ccccc1 1797876828 FOHPOAYDHRFUHG-NBTNLBJRSA-N 455.555 0.424 30 20 JCED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1798332028 DUCXBHIEFJZXPD-XMTFNYHQSA-N 468.558 0.840 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2)C3)C1 1799200083 RCYZKGVSAIODKF-FDKIHUSFSA-N 484.553 0.989 30 20 JCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C 1800351750 MYYKNPOYAYHFRO-XLKGFZLASA-N 486.635 0.656 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1800717104 JJVJPWADGMNNAC-ZIKVHIGZSA-N 488.585 0.547 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CN3CCCCC3=O)c2c1 1800893037 IEBVRLUPCXCXCC-VPTLXERWSA-N 450.499 0.650 30 20 JCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1800997791 IODXYGFDOBFBMG-KYHPRHEASA-N 466.583 0.309 30 20 JCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2 1802087120 INKNQYXBNOLMIE-UYTYNIKBSA-N 498.577 0.833 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1snnc1C)C2 1802127952 SJHHQZXZWOGDBL-QKPAOTATSA-N 463.560 0.966 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C\C(=O)NC1CC1)C2 1802139894 YGHKKRSKFPNKTQ-UPDNIFCFSA-N 488.585 0.880 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1812344551 JGBQWABUOHTCQA-XMSQKQJNSA-N 453.499 0.854 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1814209067 ZQIOXRJTRCSKQC-CADBVGFASA-N 458.563 0.290 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1829765110 GXHLCLDCUYMCFR-QMVIGNOCSA-N 456.543 0.044 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccc(Cl)cc4n3)C2)C1 1829765998 DUUQBSALFFFPOZ-XXGSHBOYSA-N 487.944 0.916 30 20 JCED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOC[C@]3(C1)CN(C(=O)C(C)(C)C#N)CCO3)C2 1830061733 UNXVCUSOXRIRRF-OSPHWJPCSA-N 487.557 0.628 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1831391492 CGHYVFMIPFVDMJ-MBSDFSHPSA-N 453.499 0.376 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1831396281 ITWJBJLVAFMCHW-HXOBKFHXSA-N 453.499 0.580 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3C)C2)C1 1831403206 ZCNSXLBGRVQVPX-HOYKHHGWSA-N 458.511 0.890 30 20 JCED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1832005069 UBTJJLUAGSMLJU-UZUQRXQVSA-N 478.546 0.382 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832530868 JKCFUWUDFOHVFX-AVRWGWEMSA-N 485.537 0.720 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1832534989 OXXLLYSPSIQJDH-IBVKSMDESA-N 499.564 0.702 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833463168 ANKAIAVHRCMWEV-DLBZAZTESA-N 485.585 0.603 30 20 JCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4ccnn4)C3)C2)c(O)n1 1833700021 OCWBHECVBUOKOX-GAJHUEQPSA-N 470.530 0.829 30 20 JCED C=CC[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCO2)NC(=O)OC(C)(C)C 1835536068 KHWDPBXBILJFFY-PNCHPQGNSA-N 468.595 0.897 30 20 JCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835641971 AEFPNAZUKBVYJJ-WZONZLPQSA-N 466.579 0.488 30 20 JCED Cc1nc(N)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835803172 BLYOYCULOPMBQC-OKFCBPFISA-N 450.565 0.575 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C)CCO2 1836761565 STTZPMNDPVOYMX-AJGMTHFWSA-N 493.601 0.984 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(F)cc13)CCO2 1837039019 QVQQZBMRMHPNQI-IYZQMXKPSA-N 471.489 0.630 30 20 JCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCc2nc(N)n[nH]2)CCO3)c1 1837269205 STHMBIMTJMLIEB-QHCPKHFHSA-N 467.530 0.280 30 20 JCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837562694 CARXBIKMVCYQJN-HPARJBSBSA-N 452.471 0.511 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(CO)o5)CCO4)C3)c2c1 1837972036 QHPQSYYFXZKFOT-QHCPKHFHSA-N 465.466 0.904 30 20 JCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccccc4C(=O)OCCO)CCO3)C2)C1 1838567653 IJJFROZNUSUCKS-XMMPIXPASA-N 458.511 0.872 30 20 JCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5ncccc5n4)C3)C2)c1 1838581991 YWWQVACDLDEUJG-XMMPIXPASA-N 476.493 0.993 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908689 NMZGJOONHVLDGT-ZJSXRUAMSA-N 480.525 0.099 30 20 JCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(C)=O)c1ccc(F)cc1)CCO2 1839039235 ZXKRHPWIXWNPBH-XVWGUNQUSA-N 475.517 0.498 30 20 JCED CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)C1 1839066819 VHHRPLBGDNVQCP-VWMTZVMLSA-N 452.552 0.314 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1839173694 GKKUXHKFHJTLAU-DEOSSOPVSA-N 471.510 0.761 30 20 JCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)CCO3)C2)c1 1839274298 QRIKJKABRYGISZ-NRFANRHFSA-N 455.427 0.884 30 20 JCED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)ccc1Br 1839400861 DINGRNNICDDFQX-UTKZUKDTSA-N 491.342 0.669 30 20 JCED C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCO2)C1 1839443623 QQENGDSLVXBGME-XOBRGWDASA-N 468.432 0.782 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CNC(=O)c5ccco5)C4)C3)c2c1 1839488064 VMAYOPROXARDEM-DEOSSOPVSA-N 492.492 0.528 30 20 JCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1839665469 GSNFTXPGZKYSPB-HOYKHHGWSA-N 465.510 0.641 30 20 JCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839683361 ZZEZPIOCUYFESZ-IERDGZPVSA-N 454.524 0.286 30 20 JCED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CC1 1839896966 OLQQCWZHBFSZRQ-FNEOHHHZSA-N 462.524 0.897 30 20 JCED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042711 KGOJBMXSOORKQP-HKARXFIJSA-N 479.530 0.034 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C2)C1 1840157320 LCWMMJKUXLIRPV-QMHKHESXSA-N 475.567 0.376 30 20 JCED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840199394 YUCZVTHMVLGLAP-XMSQKQJNSA-N 454.589 0.255 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840783031 QBBHQELURVMRBK-UJKYDTKXSA-N 479.505 0.917 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840906508 DCNBZOYAIAWHLF-NTKDMRAZSA-N 487.557 0.392 30 20 JCED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC4(CCCN4C(=O)C#CC4CC4)C3)c2n1 1841541852 MGNMZKLESRSPJK-UHFFFAOYSA-N 465.514 0.743 30 20 JCED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1)C2 1844215550 SIPWUPSATVMDBC-JKSUJKDBSA-N 493.561 0.274 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCCS2(=O)=O)C1 1845915927 WKLFWGRUIUMRBU-JKSUJKDBSA-N 453.561 0.684 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1847070664 PGCBARPSLSCTBY-KRWDZBQOSA-N 482.603 0.532 30 20 JCED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 501795573 NPKUEXOJFVJNHM-UHFFFAOYSA-N 477.489 0.503 30 20 JCED COc1cc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc(OC)c1OC 508021401 GIXSBRIGXPLJDS-QGZVFWFLSA-N 488.522 0.828 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C1CCN(C)CC1 516828414 JCBOSCHLGJDMTN-UHFFFAOYSA-N 474.558 0.590 30 20 JCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCCN3C(=O)CNC3=O)c2)c1 519441563 MXMFCPKMZMXQEJ-UHFFFAOYSA-N 462.462 0.870 30 20 JCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 522537180 YDJNFXIISKYFGX-UHFFFAOYSA-N 488.525 0.551 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC1 750134155 NNYWHOJSWWAJRX-LJQANCHMSA-N 488.566 0.583 30 20 JCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCN(c4ccccc4F)CC3)n(C3CC3)c2=O)cn1 839377842 FVXUATDOXNCJPJ-UHFFFAOYSA-N 478.553 0.969 30 20 JCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 899892920 QWKCSCBJUIRFIP-CQSZACIVSA-N 481.527 0.802 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)cc1 918258316 RZGJJKARMJYASO-ZXVVBBHZSA-N 482.526 0.730 30 20 JCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)COc3cccc(C#N)c3)C2=O)cc1 919416898 GARHVHNLOOHCBV-JOCHJYFZSA-N 452.423 0.987 30 20 JCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)c1 927571610 OWRPUQPESOVBIT-PXNSSMCTSA-N 470.569 0.473 30 20 JCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1303470503 QZXAWEZOQPJDDD-QGZVFWFLSA-N 459.532 0.785 30 20 JCED CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1 1541513962 KMXMWPOYHNTPPV-PXNSSMCTSA-N 470.596 0.529 30 20 JCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCOCC1 1706075820 SZIXNQUHXAYMPL-IAGOWNOFSA-N 469.612 0.318 30 20 JCED CN(C)C(=O)c1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1710973416 TWRPFFFHNQZNRM-RBUKOAKNSA-N 472.571 0.853 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCS(C)(=O)=O 1711085620 NCYAKPIKIVWMKZ-GOSISDBHSA-N 496.615 0.554 30 20 JCED CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)S(C)(=O)=O 1728494916 QOZAPIZKLYOBMS-UHFFFAOYSA-N 495.631 0.570 30 20 JCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1731011874 XZPDWJFNBYTHLD-UHFFFAOYSA-N 459.576 0.621 30 20 JCED CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1(O)CCS(=O)(=O)CC1 1767091317 UZRNWCVPNVRKJH-UHFFFAOYSA-N 472.571 0.848 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C=CCN2)C1 1777977796 VVZZVFDETQRXBC-YBJWPOLQSA-N 460.575 0.945 30 20 JCED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1 1779105136 RAYJWMOWPVFROF-HFUKASDHSA-N 493.582 0.992 30 20 JCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO3)c1 1780172563 PYECRAREVRPFSW-WZONZLPQSA-N 474.514 0.853 30 20 JCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=S)NCC)C2 1780741178 LHGQKTCFIWPJDH-IIBYNOLFSA-N 454.593 0.494 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)C1 1781034908 CFCIVGJUYGKHBS-LUFBEXLNSA-N 464.563 0.930 30 20 JCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)[C@H]4CNC(=O)C4)CCO3)C2)CC1 1781170252 YMZPJJAVMTTWNH-MZNJEOGPSA-N 489.573 0.493 30 20 JCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)c(C#N)c1 1781173472 DMDOVUXNWOGRJD-KBMIEXCESA-N 469.586 0.575 30 20 JCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)c(C#N)c1 1781177525 ZRJOVFAVYWEFEL-DEOSSOPVSA-N 495.492 0.709 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)Nc3c(C)cccc3C)C2)C1 1781234336 ZNZYQKLTWKPPEO-XXXZYALBSA-N 454.527 0.930 30 20 JCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1ccc(C(N)=O)cc1)NC(=O)OC(C)(C)C)CCO2 1783046399 NPNYDWTZUMCPRK-KBMIEXCESA-N 484.553 0.684 30 20 JCED CC(C)(C)OC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1783397495 AJJWTYWCLYBFKL-YGOAVPTMSA-N 454.524 0.870 30 20 JCED CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783556743 VJCZEIHNARHQQP-JJLPPOTMSA-N 475.542 0.797 30 20 JCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](F)CN1C(=O)OCc1ccccc1)CCO2 1783565275 IXVWFCCTQBPAIY-AXHZCLLHSA-N 487.484 0.654 30 20 JCED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1783883272 GNVCZIIHYWISIK-CFLDLGCGSA-N 498.552 0.980 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)[C@H]2C1 1784323176 DBVYCTBBPHCGHB-FMPMKQGCSA-N 494.592 0.873 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1784506124 HXBIJAZGMSQBFP-JIFZMYKYSA-N 481.590 0.785 30 20 JCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)C1 1785245760 QKGWFOAGVUKQSI-IERDGZPVSA-N 483.612 0.469 30 20 JCED C=CC[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2)NC(=O)OC(C)(C)C 1785305288 YOBSWHNGIROBMF-MFSJNOQSSA-N 496.605 0.326 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1785575181 ZNEOYXIDZGPMRQ-XLNZFTOWSA-N 471.558 0.828 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857661 XGTNYKXWTCNYMM-FJIDUMEYSA-N 481.594 0.134 30 20 JCED Cc1nn2cc(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]4C3)nc2s1 1786858202 NZJUUFOOPNAKHA-SZMVWBNQSA-N 473.603 0.903 30 20 JCED COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)nc1Br 1789118292 SEGFZZTTXSDMEH-HUBLWGQQSA-N 466.288 0.534 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1789839373 UOJJXVZZRYCGAW-OKYOBFRVSA-N 478.590 0.751 30 20 JCED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1790697560 VYCZOVLCSBTWLS-FSGKZVOOSA-N 490.626 0.340 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790859740 HKVDZFAUZFNJIG-FSGKZVOOSA-N 490.601 0.799 30 20 JCED CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C[C@H]2C[C@H]21 1791072930 HXSSNIXZWUYCIE-ZKZVPCBQSA-N 461.515 0.452 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)C2 1792491201 BDQZUTSOYIZHGA-KULPGCBOSA-N 495.985 0.805 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1792567268 HEWDPQZUWJNADW-RHXYOOSCSA-N 464.563 0.759 30 20 JCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1)N1CCN(C)CC1 1792836971 AAOHOVYBOAYDCC-YPIYEQTHSA-N 458.990 0.917 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1793204724 VMLMVUDKWBXHNS-WAUQAIADSA-N 480.565 0.483 30 20 JCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(C)(=O)=O)cc1 1795414818 UOBIACRWPZECNC-RMFSNUHRSA-N 476.599 0.504 30 20 JCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)Nc2cnccn2)c(C#N)c1 1797781431 ZHPCRDGHXCLDKC-RTNRFSENSA-N 464.526 0.990 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccccc1=O 1797938596 OSPDGGCDMOUHPM-UNJWAJPSSA-N 486.569 0.916 30 20 JCED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(C#N)c2Cl)CC1 1798589879 OIFXMDNRTWXXOG-OPMZPASUSA-N 473.961 0.579 30 20 JCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC=O 1799287734 PMDZEBXMJRMMPV-AVEIZBFRSA-N 452.552 0.570 30 20 JCED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2)C(C)(C)S 1800907981 SGDAKDRUOQTECK-OCVGTWLNSA-N 495.602 0.987 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)NC(=O)OCC)C2 1804375981 CJTHVVHMZYOFFT-DXWTWGPWSA-N 466.535 0.606 30 20 JCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807055549 MMXKSPJTQZNVMG-YDHSSHFGSA-N 464.526 0.631 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)Cc2cccnc2)[C@H]1c1cccnc1 1808355041 KJCKJPROMGWCBA-MZBHBBFKSA-N 462.554 0.911 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)/C=C\C(=O)NC2CC2)[C@H]1c1cccnc1 1810124785 QVDRSMQNMSMWNH-LJUVWUTNSA-N 451.527 0.781 30 20 JCED Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)c(=O)nc1O 1810288884 AEIJJPFMVJPNLF-XSYYCTDRSA-N 481.557 0.830 30 20 JCED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](O)N2CCOCC2)CC3)c1 1821387926 KMVIRLJXEVVLOK-YCRPNKLZSA-N 471.539 0.900 30 20 JCED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1828583519 JYFSYHRBVOGLKZ-KOSHJBKYSA-N 485.541 0.145 30 20 JCED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CN4CCNC4=N)C3)C2)CC1 1828921009 IKVLOYQSFSNGAF-VWLOTQADSA-N 493.568 0.582 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 1829618914 CQVAFNSAIDBWKB-KSEXMQBYSA-N 472.498 0.452 30 20 JCED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2)c1cccs1 1829711490 ZOIXELBQFJTJFI-SIAOZKNOSA-N 479.624 0.992 30 20 JCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cc1 1829902131 HXFIZFPBIHIZJY-QHCPKHFHSA-N 452.467 0.677 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1830037877 GKFCFYYNJUJBFF-HXOBKFHXSA-N 465.547 0.396 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCC(=O)OC(C)(C)C)CCO2)C1 1830798940 TVFHUDZXMDPUJK-JPYJTQIMSA-N 452.548 0.993 30 20 JCED Cc1c(Br)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)nn1C 1831217885 CHGWDIPCRGFIOW-HXUWFJFHSA-N 465.348 0.974 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831993873 JOCFGPLIZAYKKA-QFIPXVFZSA-N 454.520 0.684 30 20 JCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251768 XKBVKYFVPOAEMG-PXAZEXFGSA-N 470.416 0.371 30 20 JCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832357045 LMPNGVPYPWMXIT-HMONDQCUSA-N 486.569 0.946 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833220113 RQDLKQRTGWVYIL-QGZVFWFLSA-N 454.568 0.338 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)CCO2 1833223116 LYJJMFTWNNUQSB-XMMPIXPASA-N 451.479 0.657 30 20 JCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833463171 ANKAIAVHRCMWEV-IRXDYDNUSA-N 485.585 0.603 30 20 JCED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c1 1833762626 QKWGEUGPJDVLCZ-OAQYLSRUSA-N 480.569 0.661 30 20 JCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834177514 NQCNGCLOTJLYSI-PUZWTLIVSA-N 489.573 0.960 30 20 JCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cc([N+](=O)[O-])c1OC 1835361225 GUEPKLQFYJMVHL-OAQYLSRUSA-N 462.459 0.986 30 20 JCED C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1835528464 FDWOQFILCYLDFS-UUOWRZLLSA-N 493.605 0.578 30 20 JCED Cn1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1C(F)(F)F 1835672442 CBAXVRDSFSMLIE-FQEVSTJZSA-N 486.495 0.791 30 20 JCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1836697663 RATZILFNNAWZQP-HOYKHHGWSA-N 493.557 0.568 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836844271 DMTRKGHFNCWEHL-JOCHJYFZSA-N 455.519 0.081 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837321254 KNDYEJWDXMSLTQ-FQEVSTJZSA-N 485.415 0.499 30 20 JCED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)cc(C(F)(F)F)c1 1837366241 QFZZVWIPGFYZDE-FQEVSTJZSA-N 479.415 0.523 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837489264 BGTVMDIHNAAGFU-XMMPIXPASA-N 467.526 0.727 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1837490826 CEMDXVVMSNWGOJ-RUZDIDTESA-N 470.570 0.988 30 20 JCED CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1837524597 CLAOQCWDTGJCSC-OEEWFINQSA-N 452.552 0.314 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837531123 WUCRCUAUIAHBCA-GTBXIFBCSA-N 472.502 0.557 30 20 JCED COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1838399515 PXSPCPXXMGNKFT-JOCHJYFZSA-N 477.602 0.835 30 20 JCED C[C@@H]1Oc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cc2NC1=O 1838585812 QIFHMBXBAYZXCV-UPCLLVRISA-N 453.495 0.889 30 20 JCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1cccc(Br)c1)CCO2 1839055529 OQCHMPLORMCLIF-ICSRJNTNSA-N 481.299 0.027 30 20 JCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccn4C)C3)C2)c(C#N)c1 1839132116 STZNYGZXLPDEGD-QHCPKHFHSA-N 453.499 0.613 30 20 JCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)c4cccn4C)C3)C2)c(C#N)c1 1839133475 ROPVNDKWZNOCIJ-RUZDIDTESA-N 480.521 0.787 30 20 JCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1839184812 DFQILHSRPSDRIZ-HKARXFIJSA-N 496.561 0.411 30 20 JCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)c1 1839420464 KNVPNJVSAUHAAA-QHCPKHFHSA-N 454.458 0.629 30 20 JCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1839476801 JRVZYJYNKASACV-YJYMSZOUSA-N 460.549 0.618 30 20 JCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839540077 IAWZWOINQBZMBT-HSZRJFAPSA-N 456.499 0.914 30 20 JCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc5c(c4)NC(=O)CS5)CCO3)C2)CC1 1839578216 WQLVAQCVSSJEOT-OAQYLSRUSA-N 457.512 0.500 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839633661 OAQHAJQHRBLSRJ-MEKIYTOJSA-N 454.527 0.247 30 20 JCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOCCOCc3ccccc3)C2)C1 1839810654 KLLGFCNVKZANCM-DEOSSOPVSA-N 460.527 0.326 30 20 JCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839860385 SACKIKYCKAOKKK-DVECYGJZSA-N 494.589 0.276 30 20 JCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839888395 KUDVTWVXIRLCDR-FQEVSTJZSA-N 452.458 0.479 30 20 JCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C1)CCO2 1840009039 VNNOBVRALAXWEI-XMMPIXPASA-N 490.557 0.622 30 20 JCED CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040345 WAOJNSOKILUYJG-HOYKHHGWSA-N 495.573 0.860 30 20 JCED CC(=O)N1CCC(N2CCC(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)CC2)CC1 1840161211 IDRLFBSHHDBIRC-KOSHJBKYSA-N 496.674 0.484 30 20 JCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)C2)C1 1840163454 UIJOVQGBPLBXSZ-QDGJQWLKSA-N 485.603 0.540 30 20 JCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1840218964 VNWLNKWETLBTEQ-FGZHOGPDSA-N 466.535 0.118 30 20 JCED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)NC=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251723 VFPZPBTZKTWCMH-IUKKYPGJSA-N 480.562 0.143 30 20 JCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840371380 FUAMKWCZFMSVOM-IMSXRSKXSA-N 473.574 0.682 30 20 JCED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)cc1C#N 1840763070 FZEFBJZCCWWRFJ-XMMPIXPASA-N 497.508 0.930 30 20 JCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840856885 CWZPHFSXCVNURT-OFNKIYASSA-N 460.506 0.633 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1840908732 OYMAXQJIOHQTEM-STSQHVNTSA-N 490.561 0.212 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC)C2)C1 1840908848 IQWPFVWNEOGLFY-STSQHVNTSA-N 466.579 0.357 30 20 JCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1841602487 QBPDDXGTDAIQBR-GOSISDBHSA-N 475.567 0.563 30 20 JCED C=CCSCC(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845873315 BSBHDWWLLFBJHF-LSDHHAIUSA-N 452.602 0.289 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1847262617 ZAMLAJRQEAEWHA-PAXAMTNXSA-N 462.547 0.417 30 20 JCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C 1847806234 SWZNTAWPOCADLM-MHORFTMASA-N 479.578 0.568 30 20 JCED COC(=O)C1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 18662107 PVACXKQFOYORGN-UHFFFAOYSA-N 477.539 0.914 30 20 JCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)C1=O 116544513 CKAGZJPPLLTBJR-UHFFFAOYSA-N 477.524 0.996 30 20 JCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccc(-n3cnnn3)cc2)CC1 504546090 CYOYDAZFNNAXEF-UHFFFAOYSA-N 453.484 0.446 30 20 JCED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@@H]1CCCO1 511066444 WIXDUHCKCXXZNO-MSOLQXFVSA-N 497.573 0.658 30 20 JCED C=CCNC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 511436797 GXMGNMQPEBYNCA-UHFFFAOYSA-N 461.500 0.833 30 20 JCED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1Cl 603716872 FWVMRXSIQOYSKL-UHFFFAOYSA-N 476.946 0.813 30 20 JCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(=O)N(C)C 604269759 ASYHTHCWSINTOA-UHFFFAOYSA-N 457.512 0.181 30 20 JCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(=O)N(C)C 604270563 ZLZBSINTPDOCPX-UHFFFAOYSA-N 476.986 0.697 30 20 JCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(C)(C)CN(C)C 608912073 BOOUWNAQMIOQJU-UHFFFAOYSA-N 457.600 0.548 30 20 JCED COc1cc([C@@H](C#N)NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc(OC)c1OC 609008081 ZJSKPIJJGDNKPC-CQSZACIVSA-N 451.505 0.804 30 20 JCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(OC)nc1 726961033 DVMINEBBNIUEAV-UHFFFAOYSA-N 482.566 0.520 30 20 JCED C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 785578196 BQDAMPDMUAOTJC-AWEZNQCLSA-N 469.523 0.947 30 20 JCED COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 821812971 WGUNJTXEYLCJOU-AWEZNQCLSA-N 459.480 0.871 30 20 JCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3CCN(C(=O)N4CCCC4)CC3)CC2)o1 915552929 QTVWFJDQVKUUJM-UHFFFAOYSA-N 458.519 0.974 30 20 JCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2I)c1=O 917353360 NAFYBLDGGQNLQJ-UHFFFAOYSA-N 481.315 0.413 30 20 JCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)c1 918257821 LOXYEVFODQQTLJ-ZXVVBBHZSA-N 482.526 0.730 30 20 JCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1 918446822 CFMPGUSZVNZQRM-OILZTRLPSA-N 488.570 0.821 30 20 JCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)[C@@H](C)C1 1286876833 NLJZKKOJVICOHR-BTYIYWSLSA-N 458.544 0.423 30 20 JCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2COCCO2)C1 1288977749 QXZPOZKCEUDCEC-FRQCXROJSA-N 454.553 0.156 30 20 JCED CCC[C@H](C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1306550294 DQISNHHCMGLFRH-LNLFQRSKSA-N 477.635 0.909 30 20 JCED Cc1cc(C)n2ncc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c2n1 1317823498 MKKMUNIIIIZITF-UHFFFAOYSA-N 482.522 0.908 30 20 JCED CC(C)(C)OC(=O)N1CCN(C(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1324258074 SOUHPWJVUOMLPV-UHFFFAOYSA-N 480.543 0.738 30 20 JCED CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CC1 1508205220 VHJXFRRWNUNGLY-UHFFFAOYSA-N 489.602 0.973 30 20 JCED CCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514264231 MLQTXWZKLQBDIR-OPYAIIAOSA-N 481.623 0.339 30 20 JCED CCCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1709849673 OYSFLMNRQQJMFO-NRFANRHFSA-N 466.590 0.898 30 20 JCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722557156 ULVRULWXOMLFJG-AWEZNQCLSA-N 465.967 0.753 30 20 JCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCc1ccccc1 1723780058 PHDKXBFWENPEHV-MJGOQNOKSA-N 489.602 0.708 30 20 JCED N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCN2CCCS2(=O)=O)CCO1 1731187316 NDWUYVWEYRDNHA-OAHLLOKOSA-N 450.496 0.760 30 20 JCED CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1747394569 SZWSPGDFTQIIKQ-AWEZNQCLSA-N 454.578 0.625 30 20 JCED Cc1nc2ccccc2n1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1751795493 PWYPJIKHRGHJGT-GOEBONIOSA-N 458.548 0.975 30 20 JCED CN(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1768522528 NRHOWYBMIJQZOT-LJQANCHMSA-N 487.586 0.855 30 20 JCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1=O 1769896580 OGNWNGMQSZPGOB-GOSISDBHSA-N 472.571 0.937 30 20 JCED CS(=O)(=O)N1CCC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2(C#N)CC2)C3)CC1 1778754461 GHOVXKBSKYJTIK-DYESRHJHSA-N 452.577 0.476 30 20 JCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)[C@@H](O)C1 1779018876 IIWOSXIPCBLHPL-YINHDXRGSA-N 493.605 0.516 30 20 JCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1=O)C2 1779421339 IUNZAQCSESASFI-VPYWBFESSA-N 450.536 0.652 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017430 KMLJKBPHJPSJEV-SEPYTNNBSA-N 461.515 0.505 30 20 JCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4cccc(Br)c4n3)C2)C1 1782378412 HYOFSYRWWLLAQP-IBGZPJMESA-N 461.272 0.628 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783182509 WOBOZJZQGVZOGP-ZDPZECHZSA-N 452.552 0.810 30 20 JCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)N4CCOCC4)C[C@@H]32)cc1 1783443455 XKVVHGPBRBVMHQ-FKEBYFGASA-N 456.543 0.121 30 20 JCED CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567828 BLFSTIMFEFRYDG-YGKZAACZSA-N 463.531 0.988 30 20 JCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1783765042 IDSULMQGZNGJGY-LRAJWGHMSA-N 452.508 0.394 30 20 JCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)CCO2)C1 1783896304 YKTLTRAMLJHNAI-JLTOFOAXSA-N 468.576 0.900 30 20 JCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)CCO2)C1 1783901314 XRYUOEUEYVTWPB-KKSFZXQISA-N 456.609 0.687 30 20 JCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1784373276 GADOYUDOWAHHRD-QPPBQGQZSA-N 464.526 0.667 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1784786282 UBVQKMRJNIZBPS-ATIWLJMLSA-N 464.563 0.714 30 20 JCED C=CC[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)NC(=O)OC(C)(C)C 1785307733 HYDHOZBNKLGIHX-UQNRQAKVSA-N 498.577 0.740 30 20 JCED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785323365 GEBJCVNFBCAEAS-XOBRGWDASA-N 455.533 0.161 30 20 JCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)CCO3)C2)CCC1 1785366888 ROPVLWIYFPEHIM-JOCHJYFZSA-N 452.471 0.816 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1 1789258358 HCCMSKMNEKGKIY-VTCANLHHSA-N 457.531 0.868 30 20 JCED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076970 UQRRIZGROIQYHZ-ATIWLJMLSA-N 463.531 0.557 30 20 JCED COc1ccc(OC)c(C(=O)CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791077713 GHPNCSVAVOWZGP-XERREHJYSA-N 472.494 0.734 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCSC)[C@H]2C1 1791310245 QODDBTAZCCBPID-VMXHOPILSA-N 483.631 0.997 30 20 JCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3nnc(C)o3)C[C@@H]21 1792257464 FWVWIZJRWJHVGC-FJIDUMEYSA-N 475.546 0.817 30 20 JCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1c[nH]c3ncccc13)C2 1792491470 XSIVGFGTDAFCSC-GUGIZKONSA-N 451.527 0.944 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1792564577 RURYCJWRHUDCDY-KFHOSZCASA-N 475.509 0.681 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccc(N(C)C)c1 1793858168 AVKOTLVWKJOUDO-BKHSTJABSA-N 456.543 0.579 30 20 JCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)n(-c2cccc(=O)n2C)n1 1795933551 QSRRYIOZQTZGSR-LPVZQFDLSA-N 495.584 0.554 30 20 JCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)NC(=O)OCC)c(O)n1 1797583664 KCLXDDHEPSZCNY-HXFPYSNGSA-N 462.503 0.174 30 20 JCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccnnc2O)N(C(=O)OC(C)(C)C)C1 1798386006 OFMNXRWZEFZPMW-MVJTYMMSSA-N 473.530 0.951 30 20 JCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1799303705 POVAONCKWQYDSX-VPTLXERWSA-N 456.499 0.768 30 20 JCED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCNC2=N)C3)cc(C(F)(F)F)c1 1799784969 XKRSTTBMPOIKEH-JLVBRIDZSA-N 464.448 0.620 30 20 JCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2)c1ccc(O)cc1 1801055762 JZIFBYZPMRPKOL-SUYVIKNLSA-N 456.543 0.072 30 20 JCED CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N1[C@H]3CC[C@@H]1C[C@H](NC(=O)CC#N)C3)CCS2(=O)=O 1801911691 WKVKGXBFYPXGLV-YVSFHVDLSA-N 480.587 0.962 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)N2CCN(C)CC2)[C@H]1c1cccnc1 1802487300 HCRMICCRESKMQQ-SJKJUJRHSA-N 468.602 0.582 30 20 JCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1803565808 AYRJDDVOKALTMO-JZWVFAODSA-N 457.575 0.843 30 20 JCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810225211 UQRVXOAQBUJJAB-ABSDTBQOSA-N 482.541 0.880 30 20 JCED NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1811187494 PFWOJLQXAYFIFD-BGSSOVSISA-N 481.513 0.819 30 20 JCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[C@@H]1c1cccnc1 1812877707 PZPLCWTVCQXPBS-FOIQADDNSA-N 485.460 0.373 30 20 JCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822202359 QPDCLCLHMSUXBD-ZFWWWQNUSA-N 463.491 0.766 30 20 JCED C#CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 1826415692 GVUISUFJOBBYFU-AWEZNQCLSA-N 497.581 0.696 30 20 JCED C=CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828521332 ZYHFRSGPYJNMLM-GAJHUEQPSA-N 461.515 0.340 30 20 JCED CC(C)NCCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332734 XBJPJMIYXAHHSS-VWLOTQADSA-N 484.553 0.915 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1829764612 PZTFGCFHUBYSRD-PKZHZFTJSA-N 488.610 0.421 30 20 JCED CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1829891191 ZTFMRPRFBQLWIK-OEEWFINQSA-N 452.552 0.314 30 20 JCED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)ccc21 1830056796 UQACQNLAXKWRMT-QHCPKHFHSA-N 455.515 0.497 30 20 JCED O=C1CSc2ncc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2N1 1831221648 WPTYVKISZPTAET-QFIPXVFZSA-N 456.524 0.609 30 20 JCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 1831402624 MPYFWYWULWAUSE-PLOUGOBLSA-N 479.574 0.784 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](S)C(C)C)CCO3)C2)n1 1831491856 HACQQYYXHDJMFV-PGRDOPGGSA-N 466.604 0.698 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833027323 JKNHZBVWPHQXLG-KKSFZXQISA-N 451.545 0.525 30 20 JCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)CN4CCS(=O)(=O)CC4)CC3)CC2)C1 1833050575 UQEJQSJKUXTJKO-UHFFFAOYSA-N 452.621 0.255 30 20 JCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1833075162 RYLTUXOXMCLIFU-TUYSUELWSA-N 462.595 0.124 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1833683533 XJJQVCZBFFQJHY-NWBNNPRYSA-N 462.526 0.968 30 20 JCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1833725486 IDZKBALETFUSRX-UQBPGWFLSA-N 485.585 0.690 30 20 JCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833837529 DSWUPMKOUNQKCC-JOCHJYFZSA-N 453.455 0.203 30 20 JCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834380567 AGLJBYKRUBWRRN-FDDCHVKYSA-N 477.562 0.809 30 20 JCED COCCOCCOCCOCCC(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834601754 HQUHJDAJRBRRFK-UHFFFAOYSA-N 494.633 0.948 30 20 JCED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1 1835184075 FPLXEUFMJSSTFN-HSZRJFAPSA-N 475.567 0.919 30 20 JCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835208354 HGJVJJVWPDANGJ-JTSKRJEESA-N 455.552 0.901 30 20 JCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835338362 FNNPAEJSUBDAQR-MBSDFSHPSA-N 490.582 0.422 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1835672612 FLMCTKGSRQKKPG-HXUWFJFHSA-N 450.927 0.482 30 20 JCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1835677451 INWBRUOYTYHLIZ-QHCPKHFHSA-N 474.562 0.277 30 20 JCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1835716879 ANZFQPBEUSAIEE-RBUKOAKNSA-N 482.622 0.974 30 20 JCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835729454 FZQSLWWHQDMKMA-RPNTZMPASA-N 469.652 0.710 30 20 JCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1836216112 XGGWMJOPIJAZAY-LLJLJFOGSA-N 492.573 0.507 30 20 JCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1837445903 BQICDRAYQQKIFB-ZZAWEDPDSA-N 460.535 0.207 30 20 JCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837491301 XQHXQJXWMSOQOZ-SFFGGSCWSA-N 457.527 0.854 30 20 JCED Cn1nc2c(c1C(=O)N1CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C1)CCC2 1837530375 LJWPZJONEOQZAT-FYGKWSDDSA-N 475.546 0.508 30 20 JCED Cc1cc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)/C=N/O[C@H]2CCCCO2)CCO3)no1 1837531756 VZRSKABFWIJSKH-SBAKUFHNSA-N 462.503 0.982 30 20 JCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837533587 WDEVJLQQBRNUDJ-LRHHQANISA-N 463.535 0.649 30 20 JCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1837658485 MDPZRHZZCKEFMN-QHCPKHFHSA-N 468.514 0.257 30 20 JCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)c4cc5n(n4)CCCNC5=O)CC3)CC2)CC1 1837790153 AHWJPKXZPTYYBR-UHFFFAOYSA-N 454.531 0.933 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c1 1837797414 KXHDXULFIUOOKX-OAQYLSRUSA-N 454.443 0.882 30 20 JCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838413291 HCLSUBUWTIUPDR-FQEVSTJZSA-N 464.569 0.745 30 20 JCED CN1CCN(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(C#N)ccc5F)C4)C3)CC2)CC1 1839107402 IQGLZIHAGGLOLC-XMMPIXPASA-N 485.560 0.547 30 20 JCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839188307 WMFDXDXGBQQXBW-CBFKJKJLSA-N 458.490 0.736 30 20 JCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1839229012 WYDHFHPVBZTUGC-CJAUYULYSA-N 498.536 0.987 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839273213 AVANKIRXTQKGCV-QJKPHDSHSA-N 474.470 0.229 30 20 JCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)c(N(C)C)c(F)c1)CCO2 1839468206 UACUXTVEPISBGQ-XLQQFJOYSA-N 492.523 0.959 30 20 JCED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488219 FAPGEWZHPJPEAV-IQMFZBJNSA-N 483.529 0.212 30 20 JCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1839665095 KNJFOXWUBXMFTQ-HSZRJFAPSA-N 451.483 0.194 30 20 JCED COc1ccc(C2(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)CCC2)cc1 1840043807 VCAPQMSVLPZZKT-QHCPKHFHSA-N 456.495 0.661 30 20 JCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)CCO2 1840045836 DFVSRGOTLQRANB-IECBHUPTSA-N 479.574 0.881 30 20 JCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1840169347 ZERITLXEYIVQKV-AXHZCLLHSA-N 479.574 0.474 30 20 JCED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1840201171 IIIUOMQWKCVAGP-HXUWFJFHSA-N 487.862 0.826 30 20 JCED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1840795559 OYFLLDQVQIXENJ-SBUREZEXSA-N 479.530 0.390 30 20 JCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCN5CCCC5)CCO4)C3)c2c1 1840940544 PECZHHJDXWKPQE-XMMPIXPASA-N 466.542 0.990 30 20 JCED